*HEADER    PLANT PROTEIN                           01-NOV-02   1N4N              
*TITLE     STRUCTURE OF THE PLANT DEFENSIN PHD1 FROM PETUNIA HYBRIDA             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FLORAL DEFENSIN-LIKE PROTEIN 1;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-47;                                             
*COMPND   5 SYNONYM: PHD1                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PETUNIA X HYBRIDA;                              
*SOURCE   3 ORGANISM_COMMON: GARDEN PETUNIA                                      
*KEYWDS    CYSTEINE-STABILISED ALPHA-BETA MOTIF, FIFTH DISULFIDE BOND            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.J.C.JANSSEN, H.J.SCHIRRA, F.T.LAY, M.A.ANDERSON, D.J.CRAIK          
*REVDAT   1   01-NOV-03 1N4N    0                                                

!===========================================================
!===   NOEs for Pet1 at 310K and 250ms mixing time      ====
!===========================================================
!
!---------- examples ----------------------
!assign       atom 1               atom 2   NOE lol upl                  
!..............................................................................
!VERY STRONG
!assign (resid   2 and name HN) (resid   1 and name HA)  2.3 2.3 0.2 !N(i)-a(i-1) in b-sheet
!assign (resid   1 and name HA) (resid 100 and name HA)  2.3 2.3 0.2 !a(i)-a(j) across ap b-sheet

!
!STRONG
!assign (resid 121 and name HN) (resid 120 and name HN)    2.8 2.8 0.3 !N(i)-N(i-1) a-helix
!
!MEDIUM WEAK
!assign (resid 121 and name HN) (resid 120 and name Ha)    3.5 3.5 0.4 !N(i)-a(i-1) a-helix
!        3.4  !N(i)-a(i-3) a-helix
!assign (resid   1 and name HA) (resid 100 and name HN)  3.2 3.2 0.4 !a(i)-N(j) across ap b-sheet
!assign (resid   1 and name HN) (resid 100 and name HN)  3.3 3.3 0.4 !N(i)-N(j) across ap b-sheet
!
!WEAK
!assign (resid 121 and name HN) (resid 120 and name HN)    4.2 4.2 0.7 !N(i)-N(i-1) b-sheet
!assign (resid 121 and name HN) (resid 117 and name Ha)  4.2 4.2 0.7 !N(i)-a(i-4) a-helix
!          !N(i)-N(i-2) a-helix
!VERY WEAK
!assign (resid 121 and name HN) (resid 117 and name Ha)  4.5 4.5 0.7 !weak peaks

!--------------------------------------------------------------------------------------------
!pseudoatom corrections:
! # - any single number
! * - any string

!methylene protons
! Ha1 or Ha2 = Ha# -> +1.0
! Hb1 or Hb2 = Hb# -> +1.0
! Hg1 or Hg2 = Hg# -> +1.0




!======================================================================================================
!Ala1 - t257
!assign (resid  1 and name Ha) (resid  2 and name Hg2#) 4.5 4.5 1.5 !t407a- 1198 could be noise, gives violations (7-2-02)
!assign (resid  1 and name Ha) (resid 47 and name Ha) 4.5 4.5 0.0 !t214 -      gives violations (1-2-02),could be noise

!Ala1 - t357
!No clear NOE's

!Thr2 - t107a
assign (resid  2 and name Hn) (resid  3 and name Hn) 5.0 5.0 0.0 !t101 - 9313
assign (resid  2 and name Hn) (resid  1 and name Ha) 2.8 2.8 0.0 !t257 - 4242 or 2.3 2.0 0.0
assign (resid  2 and name Hn) (resid  1 and name Hb#) 2.8 2.8 1.5 !t257 - 1584 or 2.8 2.8 0.0 only 1 NOE of HB
!Thr2 - t207a
assign (resid  2 and name Ha) (resid  1 and name Hb#) 4.5 4.5 1.5 !t357 - 1587

!Thr2 - t307a
assign (resid 2 and name Hb) (resid  3 and name Hn) 5.0 5.0 0.0 !t101 - 9313

!Thr2 - t407a
assign (resid 2 and name Hg2#) (resid  3 and name Hn) 3.0 3.0 1.5 !t101 - 9313              (31-1-02)
!assign (resid 2 and name Hg2#) (resid  3 and name Hb2) 3.5 3.5 1.5 !t401 - 2873 from t610? violations (1-2-02)
assign (resid 2 and name Hg2#) (resid 44 and name Hg2#) 4.0 4.0 3.0 !t421 - 1077

!Cys3 - t101
assign (resid 3 and name Hn) (resid 2 and name Ha) 4.5 4.5 0.0 !t107a- 4907

!Cys3 - t201
!No extra NOE's

!Cys3 - t301
assign (resid 3 and name Hb1) (resid 29 and name Hd#) 3.5 3.5 2.0 !t151 - 7076
!assign (resid 3 and name Hb1) (resid 2 and name Hg2#) 4.0 4.0 1.5 !t407a- 1191 See t407a or to t610 (1-2-02)

!Cys3 - t401
assign (resid 3 and name Hb2) (resid 45 and name Hd#) 4.5 4.5 1.0 !t810 - 1094
assign (resid 3 and name Hb2) (resid 45 and name Hg1) 3.5 3.5 0.0 !t410 - 1400
assign (resid 3 and name Hb2) (resid 45 and name Hg2) 3.5 3.5 0.0 !t610 - 1191

!Lys4 - t118        
assign (resid 4 and name Hn) (resid 3 and name Hn) 4.5 4.5 0.0 !t101 - 9311
assign (resid 4 and name Hn) (resid 3 and name Ha) 2.3 2.0 0.0 !t101 - 5067 
assign (resid 4 and name Hn) (resid 3 and name Hb1) 3.5 3.5 0.0 !t101 - 3059
assign (resid 4 and name Hn) (resid 3 and name Hb2) 4.5 4.5 0.0 !t101 - 2873
!Lys4 - t218
!No NOE's

!Lys4 - t318        
!assign (resid 4 and name He#) (resid 45 and name Hg#) 5.0 5.0 2.0 !t610 - 1192
assign (resid 4 and name He#) (resid 44 and name Hg2#) 5.0 5.0 2.5 !t421 - 1077

!Lys4 - t418
assign (resid 4 and name Hg#) (resid 44 and name Hg2#) 3.0 3.0 2.5 !t421 - 1079

!Lys4 - t518        !      Not sure this is a HD tower
assign (resid 4 and name Hd#) (resid 32 and name Ha#) 4.5 4.5 2.0 !t323 - 3678
assign (resid 4 and name Hd#) (resid 42 and name Hb2) 4.0 4.0 1.0 !t511 - 1001
assign (resid 4 and name Hd#) (resid 42 and name Hb1) 4.5 4.5 1.0 !t411 - 1074

!Lys4 - t618
!No clear NOE's


!Ala5 - t128
assign (resid 5 and name Hn) (resid 4 and name Hn) 4.5 4.5 0.0 !t118 - 8500
assign (resid 5 and name Hn) (resid 4 and name Ha) 2.3 2.0 0.0 !t118 - 5630 
assign (resid 5 and name Hn) (resid 29 and name Hd#) 4.5 4.5 2.0 !t151 - 7077 
assign (resid 5 and name Hn) (resid 4 and name Hb#) 3.0 3.0 1.0 !t118 - 1668 B's of t118 degenerate?
assign (resid 5 and name Hn) (resid 4 and name Hg#) 4.5 4.5 1.0 !t118 - 1328 Other NOE from HG not visible
assign (resid 5 and name Hn) (resid 42 and name Hb1) 4.5 4.5 0.0 !t411 - 1079 
assign (resid 5 and name Hn) (resid 42 and name Hd#) 4.5 4.5 3.0 !t111 - 0688

!Ala5 - t228
!assign (resid 5 and name Ha) (resid  8 and name Hd#) 4.5 4.5 1.0 !t756 - 4028 Not sure about NOE, gives violations

!Ala5 - t328
assign (resid 5 and name Hb#) (resid  4 and name Ha) 4.5 4.5 1.5 !t218 - 5630
assign (resid 5 and name Hb#) (resid  8 and name Hd#) 4.5 4.5 2.5 !t756 - 4024
assign (resid 5 and name Hb#) (resid  6 and name Hb2) 4.5 4.5 1.5 !t612 - 1899 not sure about this connection?

!Glu6 - t112
assign (resid 6 and name Hn) (resid 5 and name Hn) 5.0 5.0 0.0 !t128 - 8208  
assign (resid 6 and name Hn) (resid 5 and name Ha) 2.3 2.0 0.0 !t128 - 4400 
assign (resid 6 and name Hn) (resid 5 and name Hb#) 2.8 2.8 1.5 !t128 - 1237
assign (resid 6 and name Hn) (resid 42 and name Hd#) 4.5 4.5 3.0 !t111 - 0688
!assign (resid 6 and name Hn) (resid 42 and name Hd1) 5.0 5.0 3.0 !t111 - 0688
!assign (resid 6 and name Hn) (resid 42 and name Hd2) 4.5 4.5 3.0 !t111 - 0640

!Glu6 - t212
assign (resid 6 and name Ha) (resid 42 and name Hd#) 4.0 4.0 3.0 !t611 - 0683
assign (resid 6 and name Ha) (resid 42 and name Hg#) 3.5 3.5 1.0 !t711 - 0642

!Glu6 - t312
!No extra NOE's

!Glu6 - t412
!No extra NOE's

!Glu6 - t512
!No extra NOE's

!Glu6 - t612
assign (resid 6 and name Hb2) (resid 10 and name Hd1) 5.0 5.0 0.7 !t337 - 7376 is violating (8-2-02)

!Cys7 - t130
assign (resid 7 and name Hn) (resid 6 and name Hn) 4.5 4.5 0.0 !t112 - 8679
assign (resid 7 and name Hn) (resid 6 and name Ha) 2.3 2.0 0.0 !t112 - 4441 
assign (resid 7 and name Hn) (resid 6 and name Hb1) 3.5 3.5 0.0 !t112 - 1986
assign (resid 7 and name Hn) (resid 6 and name Hb2) 4.0 4.0 0.0 !t112 - 1889
assign (resid 7 and name Hn) (resid 6 and name Hg#) 4.5 4.5 1.0 !t112 - 2408
!assign (resid 7 and name Hn) (resid 6 and name Hg1) 4.5 4.5 0.0 !t112 - 2408
!assign (resid 7 and name Hn) (resid 6 and name Hg2) 4.5 4.5 0.0 !t112 - 2325
assign (resid 7 and name Hn) (resid 43 and name Hn) 4.5 4.5 0.0 !t107 - 8783
assign (resid 7 and name Hn) (resid 5 and name Hb#) 4.5 4.5 1.5 !t128 - 1236 SPIN - SPIN DIFFUSION??
assign (resid 7 and name Hn) (resid 42 and name Hd#) 4.5 4.5 3.0 !t111 - 0688
!assign (resid 7 and name Hn) (resid 42 and name Hd1) 4.5 4.5 1.5 !t111 - 0688
!assign (resid 7 and name Hn) (resid 42 and name Hd2) 4.5 4.5 1.5 !t111 - 0640

!Cys7 - t230
assign (resid 7 and name Ha) (resid 24 and name Ha) 4.5 4.5 0.0 !t213 - 4473

!Cys7 - t330
assign (resid 7 and name Hb2) (resid  8 and name Hd#) 4.5 4.5 1.0 !t856 - 3778

!Cys7 - t430
!No extra NOE's

!Pro8 - t256
!No NOE's

!Pro8 - t356
!No NOE's

!Pro8 - t456
!No extra NOE's

!Pro8 - t556
!No extra NOE's

!Pro8 - t756
!No extra NOE's

!Pro8 - t856
!No extra NOE's

!Thr9 - t134
assign (resid 9 and name Hn) (resid 8 and name Ha) 4.0 4.0 0.0 !t256 - 4487 or 3.5 3.5 0.0
assign (resid 9 and name Hn) (resid 8 and name Hg#) 4.5 4.5 1.0 !t356 - 7772
!assign (resid 9 and name Hn) (resid ?? and name H?) 4.0 4.0 0.0 !t??? - 7065 UNASSIGNED NOE
!assign (resid 9 and name Hn) (resid ?? and name H?) 4.5 4.5 0.0 !t??? - 1205 UNASSIGNED NOE
!Thr9 - t234
!No NOE's, even in 250 mixt, D2O

!Thr9 - t334
!assign (resid 9 and name Hb) (resid ?? and name H?) 4.5 4.5 0.0 !t??? - 3756 UNASSIGNED NOE


!Thr9 - t434
assign (resid 9 and name Hg2#) (resid  8 and name Ha) 4.5 4.5 1.5 !t256 - 4487 
assign (resid 9 and name Hg2#) (resid  8 and name Hb2) 3.5 3.5 1.5 !t556 - 2510
assign (resid 9 and name Hg2#) (resid  8 and name Hb1) 3.5 3.5 1.5 !t456 - 2122
assign (resid 9 and name Hg2#) (resid  8 and name Hg#) 3.5 3.5 2.5 !t356 - 2241
assign (resid 9 and name Hg2#) (resid 26 and name Hd#) 4.5 4.5 2.5 !t431 - 1775 

!Trp10 - t137
assign (resid 10 and name Hn) (resid 9 and name Hn) 3.5 3.5 0.0 !t134 - 7798 
assign (resid 10 and name Hn) (resid 9 and name Ha) 4.0 4.0 0.0 !t134 - 4345
assign (resid 10 and name Hn) (resid 8 and name Ha) 5.0 5.0 0.0 !t256 - 4487
assign (resid 10 and name Hn) (resid 9 and name Hg2#) 5.0 5.0 1.5 !t343 - 1206 
assign (resid 10 and name Hn) (resid 7 and name Hb1) 4.5 4.5 0.0 !t430 - 2900 Other HB NOE might have overlap with own HB

!Trp10 - t237
!No NOE's, even in 250 mixt, D2O

!Trp10 - t337
assign (resid 10 and name Hb1) (resid  7 and name Hb1) 3.0 3.0 0.0 !t430 - 2899
assign (resid 10 and name Hb1) (resid 41 and name Hb1) 4.5 4.5 0.0 !t352a- 1260

!Trp10 - t437
assign (resid 10 and name Hb2) (resid 11 and name Hn) 5.0 5.0 0.0 !t329 - 8183
assign (resid 10 and name Hb2) (resid  7 and name Hn) 5.0 5.0 0.0 !t430 - 8085
assign (resid 10 and name Hb2) (resid  7 and name Hb1) 3.0 3.0 0.0 !t430 - 2899

!Trp10 - t100 (sc 1)
!No NOE's

!Trp10 - t143 (sc 2)
assign (resid 10 and name Hd1) (resid 41 and name Hn) 4.0 4.0 0.0 !t152a- 7002
assign (resid 10 and name Hd1) (resid 11 and name Ha) 4.0 4.0 0.0 !t129 - 4903 
assign (resid 10 and name Hd1) (resid 40 and name Ha) 3.5 3.5 0.0 !t638 - 4657 
assign (resid 10 and name Hd1) (resid 40 and name Hd#) 4.5 4.5 1.0 !t538 - 3230
!assign (resid 10 and name Hd1) (resid 40 and name Hd1) 4.5 4.5 1.0 !t538 - 3230
!assign (resid 10 and name Hd1) (resid 40 and name Hd2) 4.5 4.5 0.0 !t438 - 3125
assign (resid 10 and name Hd1) (resid 40 and name Hg#) 4.5 4.5 1.0 !t238 - 1876
!assign (resid 10 and name Hd1) (resid 40 and name Hg1) 4.5 4.5 0.0 !t238 - 1876
!assign (resid 10 and name Hd1) (resid 40 and name Hg2) 5.0 5.0 0.0 !t238 - 1619
!assign (resid 10 and name Hd1) (resid 10 and name Hb1) 3.0 3.0 0.0 !t237 - 3496 gives violations
!assign (resid 10 and name Hd1) (resid 10 and name Hb2) 3.5 3.5 0.0 !t237 - 3449 gives violations

!Trp10 - t136 (sc 4)
assign (resid 10 and name He3) (resid  7 and name Hb1) 4.5 4.5 0.0 !t330 - 2900
assign (resid 10 and name He3) (resid 20 and name Ha) 4.5 4.5 0.0 !t147 - 4479
assign (resid 10 and name He3) (resid 23 and name Ha) 5.5 5.5 0.0 !t233 - 4168 Gave violations (30-1-02)not in 150mixt (20-2-02)
assign (resid 10 and name He3) (resid 23 and name Hb1) 4.5 4.5 0.0 !t133 - 3951 other B of C23 has overlap with NOE in t136
!assign (resid 10 and name He3) (resid 10 and name Hb2) 2.8 2.8 0.0 !t437 - 3445
!assign (resid 10 and name He3) (resid 10 and name Hb1) 3.0 3.0 0.0 !t337 - 3497 gives violations

!Trp10 - t153 (sc 5)
assign (resid 10 and name Hz3) (resid 20 and name Ha) 3.5 3.5 0.0 !t147 - 4482
assign (resid 10 and name Hz3) (resid 23 and name Hb2) 4.0 4.0 0.0 !t133 - 3441
assign (resid 10 and name Hz3) (resid 23 and name Hb1) 5.0 5.0 0.0 !t133 - 3958
assign (resid 10 and name Hz3) (resid 20 and name Hb#) 4.0 4.0 1.0 !t147 - 2533
assign (resid 10 and name Hz3) (resid 19 and name Hg#) 5.0 5.0 1.0 !t255 - 2269
assign (resid 10 and name Hz3) (resid 19 and name Hb2) 3.5 3.5 0.0 !t255 - 2156

!Trp10 - t149 (sc 6)
assign (resid 10 and name Hh2) (resid 14 and name Ha) 4.5 4.5 0.0 !t109 - 5184
assign (resid 10 and name Hh2) (resid 20 and name Ha) 4.5 4.5 0.0 !t147 - 4482
assign (resid 10 and name Hh2) (resid 19 and name Hb1) 3.0 3.0 0.0 !t755 - 2535
assign (resid 10 and name Hh2) (resid 19 and name Hb2) 3.0 3.0 0.0 !t755 - 2155
assign (resid 10 and name Hh2) (resid 19 and name Hg#) 3.5 3.5 1.0 !t755 - 2268

!Trp10 - t145 (sc 7)
assign (resid 10 and name Hz2) (resid 14 and name Ha) 2.8 2.8 0.0 !t109 - 5186
assign (resid 10 and name Hz2) (resid 12 and name Hb#) 4.5 4.5 1.0 !t454 - 3352
assign (resid 10 and name Hz2) (resid 14 and name Hb#) 5.0 5.0 1.0 !t309 - 3097
assign (resid 10 and name Hz2) (resid 19 and name Hb1) 4.5 4.5 0.0 !t755 - 2532
assign (resid 10 and name Hz2) (resid 19 and name Hb2) 4.5 4.5 0.0 !t755 - 2167
assign (resid 10 and name Hz2) (resid 19 and name Hg#) 4.5 4.5 1.0 !t455 - 2251
assign (resid 10 and name Hz2) (resid 39 and name Hg#) 5.0 5.0 1.0 !t540 - 1975 very sure (99%) about this NOE, but is violating (6-2-02) not in 150 mixingtime

!Asp11 - t129
assign (resid 11 and name Hn) (resid 10 and name Hn) 5.0 5.0 0.0 !t137 - 7682
assign (resid 11 and name Hn) (resid 10 and name Ha) 2.3 2.0 0.0 !t137 - 4392
assign (resid 11 and name Hn) (resid 10 and name Hb1) 4.5 4.5 0.0 !t137 - 3505
assign (resid 11 and name Hn) (resid 10 and name Hb2) 4.5 4.5 0.0 !t137 - 3443

!Asp11 - t229
!No NOE's

!Asp11 - t329
!No NOE's

!Asp11 - t429
!No NOE's

!Ser12 - t154
assign (resid 12 and name Hn) (resid 11 and name Hn) 3.0 3.0 0.0 !t129 - 8185 
assign (resid 12 and name Hn) (resid 11 and name Ha) 4.0 4.0 0.0 !t129 - 4902
assign (resid 12 and name Hn) (resid 10 and name Hd1) 3.5 3.5 0.0 !t143 - 7377

!Ser12 - t254
!No NOE's

!Ser12 - t354
!No NOE's


!Val13 - t120
assign (resid 13 and name Hn) (resid 12 and name Ha) 2.8 2.8 0.0 !t154 - 4592
assign (resid 13 and name Hn) (resid 12 and name Hb#) 2.8 2.8 1.0 !t154 - 3351 or 2.3 2.0 0.0 other HB NOE cannot be found
!assign (resid 13 and name Hn) (resid ?? and name H?)   4.5 4.5 0.0 !t??? - 4435 UNASSIGNED NOE

!Val13 - t220
assign (resid 13 and name Ha) (resid 39 and name Hg#) 4.5 4.5 1.0  !t540 - 1972 
assign (resid 13 and name Ha) (resid 39 and name Hb#) 4.5 4.5 1.0  !t340 - 2176
assign (resid 13 and name Ha) (resid 40 and name Hg#) 4.5 4.5 1.0  !t538 - 1870 or from t225 (L38) (4-2-02)

!Val13 - t320
assign (resid 13 and name Hb) (resid 12 and name Hb#) 5.0 5.0 1.0 !t354 - 3348
assign (resid 13 and name Hb) (resid 38 and name Hd#) 5.0 5.0 3.0 !t725 - 0888

!Val13 - t420
!No Extra NOE's

!Val13 - t520
!No Extra NOE's

!Cys14 - t109
assign (resid 14 and name Hn) (resid 13 and name Ha) 2.8 2.8 0.0 !t120 - 4235 or 2.3 2.0 0.0
assign (resid 14 and name Hn) (resid 13 and name Hg1#) 4.5 4.5 1.5 !t120 - 0991 no NOE to other HG
!Cys14 - t209
!no extra NOE's

!Cys14 - t309
assign (resid 14 and name Hb#) (resid 34 and name Ha) 4.5 4.5 1.0 !t202 - 5248 
!assign (resid 14 and name Hb#) (resid 19 and name Hd#) 5.0 5.0 2.0 !t755 - 3584 Noise (22-2-02)
assign (resid 14 and name Hb#) (resid 34 and name Hb#) 4.0 4.0 2.0 !t302 - 2871
!assign (resid 14 and name Hb#) (resid 34 and name Hb2) 4.0 4.0 0.0 !t302 - 2579

!Cys14 - t409
assign (resid 14 and name Hb#) (resid 10 and name He1) 5.0 5.0 1.0 !t100 - 9405 
!assign (resid 14 and name Hb#) (resid 34 and name Hb#) 4.5 4.5 2.0 !t302 - 2872 See t309
!assign (resid 14 and name Hb#) (resid 34 and name Hb2) 5.0 5.0 1.0 !t402 - 2579 See t309 Overlap

!Ile15 - t115
assign (resid 15 and name Hn) (resid 14 and name Ha) 2.8 2.8 0.0 !t109 - 5186 from 2.3 to 2.8 (20-2-02)
assign (resid 15 and name Hn) (resid 10 and name Hz2) 4.5 4.5 0.0 !t145 - 8602

!Ile15 - t215

!Ile15 - t315
assign (resid 15 and name Hb) (resid 14 and name Ha) 5.0 5.0 0.0 !t209 - 5186 

!Asn16 - t126
assign (resid 16 and name Hn) (resid 15 and name Hn) 2.8 2.8 0.0 !t115 - 8607 from 2.3 to 2.8 (20-2-02)
assign (resid 16 and name Hn) (resid 15 and name Ha) 4.0 4.0 0.0 !t115 - 4228 
assign (resid 16 and name Hn) (resid 15 and name Hb) 3.0 3.0 0.0 !t115 - 1935
assign (resid 16 and name Hn) (resid 15 and name Hg2#) 4.5 4.5 1.5 !t115 - 0942
assign (resid 16 and name Hn) (resid 17 and name Hn) 5.0 5.0 0.0 !t109a- 8747 
assign (resid 16 and name Hn) (resid 14 and name Ha) 4.5 4.5 0.0 !t109 - 5189 

!Asn16 - t226
assign (resid 16 and name Ha) (resid 15 and name Hg2#) 5.0 5.0 1.5 !t615 - 0945 

!Asn16 - t326
assign (resid 16 and name Hb1) (resid 18 and name Hn) 4.5 4.5 0.0 !t116 - 8582
assign (resid 16 and name Hb1) (resid 17 and name Hn) 4.5 4.5 0.0 !t109a- 8746 
assign (resid 16 and name Hb1) (resid 19 and name Hg#) 4.5 4.5 1.0 !t455 - 2270

!Asn16 - t426
assign (resid 16 and name Hb2) (resid 17 and name Hn) 5.0 5.0 0.0 !t109a- 8746 

!Lys17 - t109a
assign (resid 17 and name Hn) (resid 16 and name Ha) 2.8 2.8 0.0 !t126 - 4913 (20-2-02)

!Lys17 - t209a
assign (resid 17 and name Ha) (resid 18 and name Hn) 4.5 4.5 0.0 !t116 - 8577

!Lys17 - t409a
!assign (resid 17 and name Hb#) (resid 34 and name Hb2) 4.5 4.5 1.0 !t402 - 2578 Not a decent NOE for t409a
!assign (resid 17 and name Hb#) (resid 21 and name Hg1#)5.0 5.0 2.5 !t519 - 1008


!Lys18 - t116
assign (resid 18 and name Hn) (resid 17 and name Hn) 3.5 3.5 0.0  !t109a- 8747 
assign (resid 18 and name Hn) (resid 17 and name Hb#)   4.0 4.0 1.0 !t109a- 1995
!assign (resid 18 and name Hn) (resid 17 and name Hb1)  ??????????? !t109a- 1995 Overlap with own HB 
!assign (resid 18 and name Hn) (resid 17 and name Hb2)  4.0 4.0 0.0 !t109a- 1882 
assign (resid 18 and name Hn) (resid 19 and name Hd#)   3.0 1.0 1.0 !t255 - 3976 changed lower value (14-2-02)
!assign (resid 18 and name Hn) (resid 19 and name Hd1)  3.0 3.0 0.0 !t255 - 3976 
!assign (resid 18 and name Hn) (resid 19 and name Hd2) 3.5 3.5 0.0 !t255 - 3591 

!Lys18 - t216
assign (resid 18 and name Ha) (resid 21 and name Hb) 3.5 3.5 0.0 !t319 - 2239 

!Lys18 - t316
!No extra NOE's

!Lys18 - t416
!No extra NOE's

!Lys18 - t516
!assign (resid 18 and name Hd#) (resid 15 and name Hg1#)4.0 4.0 2.0 !t515 - 1144 might be noise (22-2-02)
!assign (resid 18 and name Hd#) (resid 15 and name Hd#) 5.0 5.0 2.5 !t715 - 0888 might be noise (22-2-02)

!Lys18 - t616
!No NOE's

!Lys18 - t716
!No NOE's

!Lys18 - t816
!No NOE's


!Pro19 - t255
assign (resid 19 and name Ha) (resid 22 and name Hb#) 3.0 3.0 1.5 !t339 - 1508

!Pro19 - t755
!assign (resid 19 and name Hd#) (resid 16 and name Hb#) 4.5 4.5 2.0 !t326 - 2912 Already in Pro19 - t855
!assign (resid 19 and name Hd#) (resid 16 and name Hb1) 4.5 4.5 1.0 !t326 - 2912
!assign (resid 19 and name Hd#) (resid 16 and name Hb2) 5.0 5.0 0.0 !t426 - 2802
assign (resid 19 and name Hd#) (resid 18 and name Ha) 5.0 5.0 1.0 !t216 - 4132
assign (resid 19 and name Hd#) (resid 18 and name Hb#) 3.0 3.0 2.0 !t416 - 1934
!assign (resid 19 and name Hd#) (resid 18 and name Hb1) 3.5 3.5 1.0 !t316 - 2003
!assign (resid 19 and name Hd#) (resid 18 and name Hb2) 3.0 3.0 1.0 !t416 - 1934
assign (resid 19 and name Hd#) (resid 18 and name Hg#) 4.5 4.5 2.0 !t716 - 1426

!Pro19 - t855
assign (resid 19 and name Hd#) (resid 16 and name Hb1) 4.0 4.0 1.0 !t326 - 2912
assign (resid 19 and name Hd#) (resid 16 and name Hb2) 4.5 4.5 1.0 !t426 - 2802
!assign (resid 19 and name Hd#) (resid 18 and name Hb#) 4.0 4.0 2.0 !t426 - 1932 Already in Pro19 - t755
!assign (resid 19 and name Hd#) (resid 18 and name Hb1) 4.5 4.5 1.0 !t326 - 2002
!assign (resid 19 and name Hd#) (resid 18 and name Hb2) 4.0 4.0 1.0 !t426 - 1932


!Cys20 - t147
assign (resid 20 and name Hn) (resid 19 and name Ha) 4.5 4.5 0.0 !t255 - 4641 
assign (resid 20 and name Hn) (resid 18 and name Ha) 4.5 4.5 0.0 !t116 - 4130
assign (resid 20 and name Hn) (resid 17 and name Ha) 4.5 4.5 0.0 !t109a- 3898
assign (resid 20 and name Hn) (resid 19 and name Hb2)   4.0 4.0 0.0 !t255 - 2162 other HB NOE from t255, has overlap with HB from t147
assign (resid 20 and name Hn) (resid 19 and name Hg#)   3.5 3.5 1.0 !t255 - 2272 
assign (resid 20 and name Hn) (resid 19 and name Hd#)   3.5 3.5 1.0 !t255 - 3976
!assign (resid 20 and name Hn) (resid 19 and name Hd1) 3.5 3.5 0.0 !t255 - 3976 
!assign (resid 20 and name Hn) (resid 19 and name Hd2) 4.5 4.5 0.0 !t255 - 3589 
!assign (resid 20 and name Hn) (resid ?? and name H?)   4.5 4.5 0.0 !t??? - 1148 UNASSIGNED NOE, maybe to HG t119

!Cys20 - t247
assign (resid 20 and name Ha) (resid 23 and name Hb1) 4.0 4.0 0.0 !t333 - 3953
assign (resid 20 and name Ha) (resid 23 and name Hb2) 3.5 3.5 0.0 !t433 - 3441

!Val21 - t119
assign (resid 21 and name Hn) (resid 20 and name Hn) 2.8 2.8 0.0 !t147 - 7205
!assign (resid 21 and name Hn) (resid 20 and name Ha) 3.5 3.5 0.0 !t147 - 4484 not in 150 250
assign (resid 21 and name Hn) (resid 20 and name Hb#) 3.0 3.0 1.0 !t147 - 2539 B's in t147 degenarate
assign (resid 21 and name Hn) (resid 18 and name Ha) 4.0 4.0 0.0 !t116 - 4128
!assign (resid 21 and name Hn) (resid 17 and name Ha) 4.0 4.0 0.0 !t109a- 3898 not in 150 250

!Val21 - t219
assign (resid 21 and name Ha) (resid 22 and name Hn) 4.5 4.5 0.0 !t139 - 7611
assign (resid 21 and name Ha) (resid 32 and name Ha#) 4.5 4.5 1.0 !t323 - 3674
assign (resid 21 and name Ha) (resid 31 and name Ha) 4.5 4.5 0.0 !t422 - 4864

!Val21 - t319

!Val21 - t419
assign (resid 21 and name Hg2#) (resid 18 and name Ha) 3.0 3.0 1.5 !t216 - 4128
assign (resid 21 and name Hg2#) (resid 18 and name Hb#) 4.0 4.0 1.5 !t416 - 1931
  

!Val21 - t519
assign (resid 21 and name Hg1#) (resid 22 and name Ha) 4.0 4.0 1.5 !t239 - 4117
assign (resid 21 and name Hg1#) (resid 25 and name Hd#) 3.5 3.5 2.5 !t404 - 1695
assign (resid 21 and name Hg1#) (resid 25 and name Hg#) 4.0 4.0 2.5 !t504 - 1587
!assign (resid 21 and name Hg#1) (resid 25 and name Hg1) 4.0 4.0 1.5 !t504 - 1587
!assign (resid 21 and name Hg#1) (resid 25 and name Hg2) 4.5 4.5 1.5 !t604 - 1451

!Ala22 - t139
assign (resid 22 and name Hn) (resid 21 and name Hn) 3.5 3.5 0.0 !t119 - 8457
assign (resid 22 and name Hn) (resid 21 and name Hb) 2.8 2.8 0.0 !t119 - 2237
assign (resid 22 and name Hn) (resid 21 and name Hg2#) 4.0 4.0 1.5 !t119 - 1149
assign (resid 22 and name Hn) (resid 21 and name Hg1#) 4.5 4.5 1.5 !t119 - 1004
!assign (resid 22 and name Hn) (resid 20 and name Hn) 4.0 4.0 0.0 !t147 - 7205 not in 150 250
!Ala22 - t239


!Cys23 - t133
assign (resid 23 and name Hn) (resid 22 and name Hn) 3.5 3.5 0.0 !t139 - 7611 close to diagonal, might be bigger NOE
assign (resid 23 and name Hn) (resid 22 and name Ha) 4.5 4.5 0.0 !t139 - 4104
assign (resid 23 and name Hn) (resid 22 and name Hb#) 2.8 2.8 1.5 !t139 - 1515
assign (resid 23 and name Hn) (resid 20 and name Ha) 3.5 3.5 0.0 !t147 - 4487
!assign (resid 23 and name Hn) (resid 29 and name Hd#) 4.5 4.5 2.0 !t151 - 7071 very weak NOE, might be noise!
!assign (resid 23 and name Hn) (resid ?? and name H?)   4.0 4.0 0.0 !t??? - 6536 STRANGE UNASSIGNED NOE
!Cys23 - t233


!Cys24 - t113
assign (resid 24 and name Hn) (resid 23 and name Hn) 3.0 3.0 0.0 !t133 - 7832
assign (resid 24 and name Hn) (resid 23 and name Ha) 4.5 4.5 0.0 !t133 - 4170
assign (resid 24 and name Hn) (resid 23 and name Hb1) 3.0 3.0 0.0 !t133 - 3952
assign (resid 24 and name Hn) (resid 23 and name Hb2) 3.5 3.5 0.0 !t133 - 3441
assign (resid 24 and name Hn) (resid 21 and name Ha) 4.0 4.0 0.0 !t119 - 3130
 
!Cys24 - t213
assign (resid 24 and name Ha) (resid 29 and name Hb2) 4.0 4.0 0.0 !t417 - 2845
assign (resid 24 and name Ha) (resid 27 and name Hb#) 2.8 2.8 1.5 !t342 - 1802

!Cys24 - t313
assign (resid 24 and name Hb1) (resid 25 and name Hn) 4.5 4.5 0.0 !t104 - 8990
assign (resid 24 and name Hb1) (resid 21 and name Ha) 4.0 4.0 0.0 !t219 - 3125 See 413
assign (resid 24 and name Hb1) (resid 29 and name Hb2) 3.0 3.0 0.0 !t417 - 2842
!assign (resid 24 and name Hb1) (resid 28 and name Hd#) 4.5 4.5 1.0 !t532 - 1724 Not sure about NOE, gives violations
assign (resid 24 and name Hb1) (resid 21 and name Hg2#) 5.0 5.0 1.5 !t519 - 1150
assign (resid 24 and name Hb1) (resid 21 and name Hg1#) 5.0 5.0 1.5 !t519 - 1007

!Cys24 - t413
assign (resid 24 and name Hb2) (resid 25 and name Hn) 4.5 4.5 0.0 !t104 - 8990 See t313
assign (resid 24 and name Hb2) (resid 43 and name Ha) 4.5 4.5 0.0 !t207 - 5495 See t313
assign (resid 24 and name Hb2) (resid 21 and name Ha) 3.5 3.5 0.0 !t219 - 3125
assign (resid 24 and name Hb2) (resid 25 and name He#) 4.0 4.0 1.0 !t704 - 2972 Is this possible?
assign (resid 24 and name Hb2) (resid 29 and name Hb2) 4.5 4.5 0.0 !t417 - 2842

!Lys25 - t104
assign (resid 25 and name Hn) (resid 24 and name Hn) 3.5 3.5 0.0  !t113 - 8657
assign (resid 25 and name Hn) (resid 22 and name Ha) 4.5 4.5 0.0  !t139 - 4106 expect 3.4 3.4 0.4
!assign (resid 25 and name Hn) (resid 21 and name Hn) 4.5 4.5 0.0 !t119 - 3127 Not in 150 250

!Lys25 - t204
assign (resid 25 and name Ha) (resid 29 and name Hb2) 4.5 4.5 0.0  !t417 - 2843


!Lys25 - t704
assign (resid 25 and name He#) (resid 21 and name Hg1#) 3.0 3.0 2.5  !t519 - 1002


!Lys26 - t131
assign (resid 26 and name Hn) (resid 25 and name Hn) 2.8 2.8 0.0 !t104 - 8994
assign (resid 26 and name Hn) (resid 25 and name Ha) 4.0 4.0 0.0 !t104 - 4549
assign (resid 26 and name Hn) (resid 25 and name Hb#) 2.8 2.8 1.0 !t104 - 1907 no other HB NOE (due to overlap?)
!assign (resid 26 and name Hn) (resid 24 and name Hn) 4.0 4.0 0.0 !t113 - 8657 not in 150 250
!assign (resid 26 and name Hn) (resid 20 and name Ha) 4.0 4.0 0.0 !t147 - 4484 not in 150 250

!Lys26 - t231


!Ala27 - t142
assign (resid 27 and name Hn) (resid 26 and name Hn) 2.8 2.8 0.0 !t131 - 7861
assign (resid 27 and name Hn) (resid 26 and name Ha) 3.5 3.5 0.0 !t131 - 4177
assign (resid 27 and name Hn) (resid 26 and name Hb#) 3.5 3.5 1.0 !t131 - 2117
!assign (resid 27 and name Hn) (resid 26 and name Hb1) 3.5 3.5 0.0 !t131 - 2117
!assign (resid 27 and name Hn) (resid 26 and name Hb2) 3.5 3.5 0.0 !t131 - 2032
!assign (resid 27 and name Hn) (resid 25 and name Hn) 4.0 4.0 0.0 !t104 - 8992 not in 250 150
!assign (resid 27 and name Hn) (resid 25 and name Ha) 4.0 4.0 0.0 !t104 - 4552 not in 250 150
assign (resid 27 and name Hn) (resid 24 and name Ha) 4.5 4.5 0.0 !t113 - 4480
!assign (resid 27 and name Hn) (resid 23 and name Ha) 4.0 4.0 0.0 !t133 - 3951 not in 250 150
assign (resid 27 and name Hn) (resid 29 and name Hd#)   4.5 4.5 2.0 !t151 - 7081
!Ala27 - t242
!no NOE's in 250 mix D2O

!Ala27 - t342
assign (resid 27 and name Hb#) (resid  8 and name Hd#) 3.0 3.0 2.5 !t856 - 3784
!assign (resid 27 and name Hb#) (resid  8 and name Hd1) 3.0 3.0 1.5 !t856 - 3784
!assign (resid 27 and name Hb#) (resid  8 and name Hd2) 3.5 3.5 1.5 !t756 - 4026
assign (resid 27 and name Hb#) (resid  8 and name Hg#) 3.0 3.0 2.5 !t356 - 2249

!Lys28 - t132
assign (resid 28 and name Hn) (resid 27 and name Hn) 2.8 2.8 0.0 !t142 - 7453
assign (resid 28 and name Hn) (resid 27 and name Ha) 3.5 3.5 0.0 !t142 - 4615
assign (resid 28 and name Hn) (resid 27 and name Hb#) 3.5 3.5 1.5 !t142 - 1797 
assign (resid 28 and name Hn) (resid 25 and name Ha) 3.5 3.5 0.5 !t104 - 4552 Gave violations (30-1-02)
!assign (resid 28 and name Hn) (resid ?? and name H?)   4.5 4.5 0.0 !t151 - 7081 "UNASSIGNED" NOE
!Lys28 - t232


!Phe29 - t117
assign (resid 29 and name Hn) (resid 28 and name Hn) 2.8 2.8 0.0 !t132 - 7838
assign (resid 29 and name Hn) (resid 28 and name Ha) 3.0 3.0 0.0 !t132 - 3949
assign (resid 29 and name Hn) (resid 27 and name Hn) 4.5 4.5 0.0 !t142 - 7453
assign (resid 29 and name Hn) (resid 25 and name Ha) 3.5 3.5 0.0 !t104 - 4552
assign (resid 29 and name Hn) (resid 28 and name Hb1) 5.0 5.0 0.0 !t332 - 2153
assign (resid 29 and name Hn) (resid 28 and name Hb2) 5.0 5.0 0.0 !t432 - 1935
assign (resid 29 and name Hn) (resid 27 and name Hb#) 4.5 4.5 1.5 !t142 - 1799
!assign (resid 29 and name Hn) (resid ?? and name H?)   2.8 2.8 0.0 !t151 - 7081 "UNASSIGNED" NOE

!Phe29 - t217
!Right on water also in D2O

!Phe29 - t317
assign (resid 29 and name Hb1) (resid 24 and name Hb1) 3.5 3.5 0.0 !t313 - 2700
assign (resid 29 and name Hb1) (resid 24 and name Hb2) 4.5 4.5 0.0 !t413 - 2647
assign (resid 29 and name Hb1) (resid 43 and name Hb1) 3.0 3.0 0.0 !t307 - 2507
assign (resid 29 and name Hb1) (resid 43 and name Hb2) 4.0 4.0 0.0 !t407 - 1227
assign (resid 29 and name Hb1) (resid 45 and name Hb1) 4.5 4.5 0.0 !t410 - 1991
assign (resid 29 and name Hb1) (resid 45 and name Hb2) 5.0 5.0 0.0 !t310 - 2150
assign (resid 29 and name Hb1) (resid 27 and name Hb#) 5.0 5.0 1.5 !t342 - 1801

!Phe29 - t151
assign (resid 29 and name Hd#) (resid 44 and name Ha) 2.8 2.8 2.0 !t121 - 5639
assign (resid 29 and name Hd#) (resid 45 and name Ha) 4.0 4.0 2.0 !t110 - 4909
assign (resid 29 and name Hd#) (resid 24 and name Ha) 4.0 4.0 2.0 !t213 - 4469
assign (resid 29 and name Hd#) (resid  8 and name Hd#) 3.5 3.5 3.0 !t756 - 4031 Not sure about this NOE
!assign (resid 29 and name Hd#) (resid  8 and name Hd1) 3.5 3.5 2.0 !t756 - 4031
!assign (resid 29 and name Hd#) (resid  8 and name Hd2) 4.0 4.0 2.0 !t856 - 3785
assign (resid 29 and name Hd#) (resid 24 and name Hb1) 4.5 4.5 2.0 !t313 - 2705
assign (resid 29 and name Hd#) (resid 45 and name He#) 3.5 3.5 3.0 !t910 - 2632
assign (resid 29 and name Hd#) (resid 43 and name Hb1) 3.0 3.0 2.0 !t307 - 2504
assign (resid 29 and name Hd#) (resid 43 and name Hb2) 4.0 4.0 2.0 !t407 - 1990
assign (resid 29 and name Hd#) (resid  8 and name Hg#) 4.0 4.0 3.0 !t356 - 2241
assign (resid 29 and name Hd#) (resid 45 and name Hb2) 4.0 4.0 2.0 !t310 - 2153
assign (resid 29 and name Hd#) (resid 45 and name Hg#) 2.3 2.0 3.0 !t510 - 1402
!assign (resid 29 and name Hd#) (resid 45 and name Hg2) 4.0 4.0 2.0 !t610 - 1191
assign (resid 29 and name Hd#) (resid  5 and name Hb#) 2.8 2.8 3.5 !t328 - 1232
assign (resid 29 and name Hd#) (resid 45 and name Hd#) 4.0 4.0 3.0 !t610 - 1093
!assign (resid 29 and name Hd#) (resid 45 and name Hd1) 4.0 4.0 2.0 !t810 - 1093
!assign (resid 29 and name Hd#) (resid 45 and name Hd2) 4.5 4.5 2.0 !t710 - 1315
!assign (resid 29 and name Hd#) (resid 44 and name Hg2#)4.0 4.0 3.5 !t421 - 1078 gives Violations, check later.

!Phe - t146
assign (resid 29 and name He#) (resid 27 and name Hb#) 5.0 5.0 3.5 !t342 - 1805
assign (resid 29 and name He#) (resid  5 and name Hb#) 2.3 2.0 3.5 !t328 - 1233

!Ser30 - t124
!assign (resid 30 and name Hn) (resid 29 and name Hn) 4.0 4.0 0.0 !t117 - 8545 Could be Noise
!assign (resid 30 and name Hn) (resid 29 and name Ha) 2.8 2.8 0.0 !t117 - 4672 overlap Ha(F29) with Ha(S30)
assign (resid 30 and name Hn) (resid 29 and name Hb1) 2.8 2.8 0.0 !t117 - 3442
assign (resid 30 and name Hn) (resid 29 and name Hb2) 4.0 4.0 0.0 !t117 - 2843
assign (resid 30 and name Hn) (resid 45 and name Hb2) 3.0 3.0 0.0 !t110 - 2151
assign (resid 30 and name Hn) (resid 45 and name Hb1) 3.0 3.0 0.0 !t110 - 1987
assign (resid 30 and name Hn) (resid 29 and name Hd#) 4.0 4.0 2.0 !t151 - 7081
assign (resid 30 and name Hn) (resid 45 and name Ha) 3.5 3.5 0.0 !t210 - 4972

!Ser30 - t224
!No clear NOE's, even with 250 mixingtime in D2O

!Asp31 - t122
assign (resid 31 and name Hn) (resid 30 and name Hn) 3.0 3.0 0.0 !t124 - 8273 or bigger
assign (resid 31 and name Hn) (resid 30 and name Ha) 3.5 3.5 0.0 !t124 - 4677 
assign (resid 31 and name Hn) (resid 30 and name Hb#) 3.5 3.5 1.0 !t124 - 4068
!assign (resid 31 and name Hn) (resid 30 and name Hb1) 3.5 3.5 0.0 !t124 - 4068
!assign (resid 31 and name Hn) (resid 30 and name Hb2) 4.0 4.0 0.0 !t124 - 4009
assign (resid 31 and name Hn) (resid 29 and name Hb1) 3.0 3.0 0.0 !t117 - 3422
assign (resid 31 and name Hn) (resid 29 and name Hb2) 4.5 4.5 0.0 !t117 - 2842

!Asp31 - t222
assign (resid 31 and name Ha) (resid 21 and name Hg1#) 3.5 3.5 1.5 !t419 - 1006
assign (resid 31 and name Ha) (resid 21 and name Hg2#) 4.0 4.0 1.5 !t419 - 1144

!Gly32 - t123
assign (resid 32 and name Hn) (resid 31 and name Hn) 4.5 4.5 0.0 !t122 - 8831 cannot be determined properly, is in diagonal
assign (resid 32 and name Hn) (resid 31 and name Ha) 2.3 2.3 0.0 !t122 - 4873
assign (resid 32 and name Hn) (resid 31 and name Hb2) 4.0 4.0 0.0 !t122 - 2681
assign (resid 32 and name Hn) (resid 31 and name Hb1) 4.0 4.0 0.0 !t122 - 2467
assign (resid 32 and name Hn) (resid 21 and name Ha) 3.5 3.5 0.0 !t119 - 3126
assign (resid 32 and name Hn) (resid 21 and name Hg2#) 2.3 2.3 1.5 !t119 - 1147   
assign (resid 32 and name Hn) (resid 21 and name Hg1#) 3.0 3.0 1.5 !t119 - 1005

!Gly32 - t223
assign (resid 32 and name Ha#) (resid 43 and name Ha) 2.8 2.8 1.0 !t207 - 5169

!Gly32 - t323

!His33 - t106
assign (resid 33 and name Hn) (resid 32 and name Hn)   4.5 4.5 0.0 !t123 - 8291
assign (resid 33 and name Hn) (resid 32 and name Ha#) 2.3 2.0 1.0 !t123 - 5179
!assign (resid 33 and name Hn) (resid 32 and name Ha2)  2.8 2.8 0.0 !t123 - 3679
assign (resid 33 and name Hn) (resid 42 and name Hb2) 4.5 4.5 0.0 !t511 - 1000
assign (resid 33 and name Hn) (resid 42 and name Hb1) 5.0 5.0 0.0 !t411 - 1074

!His33 - t206
assign (resid 33 and name Ha) (resid 17 and name Ha) 4.5 4.5 0.0 !t209a- 3899
assign (resid 33 and name Ha) (resid 17 and name Hb#) 4.0 4.0 1.0 !t309a- 1994
assign (resid 33 and name Ha) (resid 17 and name Hd#) 4.0 4.0 1.0 !t309a- 1757
assign (resid 33 and name Ha) (resid 17 and name Hg#) 3.5 3.5 1.0 !t309a- 1404

!His33 - t306
assign (resid 33 and name Hb1) (resid 34 and name Hn) 4.0 4.0 0.0 !t102 - 9109 was violating (16-2-02) was 3.5 3.5 0.0

!His33 - t406
assign (resid 33 and name Hb2) (resid 34 and name Hn) 3.5 3.5 0.0 !t102 - 9109
assign (resid 33 and name Hb2) (resid 32 and name Ha#) 4.5 4.5 1.0 !t223 - 5174

!His33 - t123a
assign (resid 33 and name He1) (resid 42 and name Hb1) 3.0 3.0 0.0 !t411 - 1079 (100 %sure, 12 contourlines)
assign (resid 33 and name He1) (resid 42 and name Hb2) 4.5 4.5 0.0 !t411 - 1000

!His33 - t152
assign (resid 33 and name Hd2) (resid 42 and name Hb1) 4.0 4.0 0.0 !t411 - 1078
assign (resid 33 and name Hd2) (resid 42 and name Hb2) 5.0 5.0 0.0 !t411 - 1000

!Cys34 - t102
assign (resid 34 and name Hn) (resid 33 and name Ha)    3.5 3.5 0.0 !t106 - 4584 

!Cys34 - t202
assign (resid 34 and name Ha) (resid 41 and name Ha) 3.5 3.5 0.0 !t252a- 4491
!assign (resid 34 and name Ha) (resid 33 and name Hb2) 5.0 5.0 0.0 !t406 - 3117 is noise (22-2-02)

!Cys34 - t302
assign (resid 34 and name Hb#) (resid 33 and name Hb2) 4.0 4.0 1.0 !t406 - 3119 could be 3.5 (22-2-02)

!Cys34 - t402
assign (resid 34 and name Hb#) (resid 33 and name Ha) 4.5 4.5 1.0 !t206 - 4581
!assign (resid 34 and name Hb#) (resid 33 and name Hb2) 4.0 4.0 1.0 !t406 - 3119 Not clear, overlap


!Ser35 - t103
assign (resid 35 and name Hn) (resid 34 and name Ha)    4.0 4.0 0.0 !t102 - 5248

!Ser35 - t203
!no NOE's, even to close to water in 250 mixingtime in D2O

!Ser35 - t303
!assign (resid 35 and name Hb#) (resid 42 and name Hg) 5.0 5.0 1.0 !t311 - 1334 see t711 (bigger NOE)
assign (resid 35 and name Hb#) (resid 42 and name Hb2) 5.0 5.0 1.0 !t511 - 1001 not an NOE, but noise?
!assign (resid 35 and name Hb#) (resid 42 and name Hd#) 4.0 4.0 4.0 !t611 - 0686 See t403 Ser35

!Ser35 - t403
assign (resid 35 and name Hb#) (resid 40 and name Hn) 5.0 5.0 1.0 !t138 - 7617
assign (resid 35 and name Hb#) (resid 42 and name Hd#) 4.0 4.0 4.0 !t611 - 0684

!Lys36 - t108a
assign (resid 36 and name Hn) (resid 35 and name Ha) 2.8 2.8 0.0 !t103 - 4657

!Lys36 - t208a
assign (resid 36 and name Ha) (resid 35 and name Hb#) 4.0 4.0 1.0 !t403 - 3770 Other HB has overlap

!Lys36 - t308a
assign (resid 36 and name Hb#) (resid 35 and name Ha) 4.5 4.5 1.0 !t203 - 4657


!Lys36 - t408a
assign (resid 36 and name Hd#) (resid 39 and name Hd#) 5.0 5.0 2.0 !t840 - 3106 if gives violations, leave out
!!assign (resid 36 and name Hd#) (resid 13 and name Hb) 4.5 4.5 1.0 !t320 - 2086 could be noise? not sure about peakshape similarity

!Lys36 - t508a
assign (resid 36 and name Hg#) (resid 39 and name Hb#) 4.5 4.5 2.0 !t340 - 2183
assign (resid 36 and name Hg#) (resid 37 and name Hb) 4.5 4.5 1.0 !t329a- 1987 Not sure if this is a NOE
assign (resid 36 and name Hg#) (resid 37 and name Hg1#) 4.5 4.5 2.0 !t629a- 1232
!!assign (resid 36 and name Hg#) (resid 42 and name Hb2)4.5 4.5 1.0 !t511 - 0996 Not sure if it is an NOE

!Lys36 - t608a
!No NOE's 

!Ile37 - t129a
assign (resid 37 and name Hn) (resid 36 and name Hn)    4.0 4.0 0.0 !t108a- 8756
assign (resid 37 and name Hn) (resid 36 and name Ha)    4.0 4.0 0.0 !t108a- 4162 
assign (resid 37 and name Hn) (resid 36 and name Hb#)   3.5 3.5 1.0 !t108a- 1905
!Ile37 - t229a
!too many towers

!Ile37 - t329a
!Too many towers

!Ile37 - t429a
!No NOE's

!Ile37 - t529a
!No NOE's

!Ile37 - t629a
!No NOE's

!Ile37 - t729a
!No NOE's

!Leu38 - t125
assign (resid 38 and name Hn) (resid 37 and name Hn)    4.0 4.0 0.0 !t129a- 8178 
assign (resid 38 and name Hn) (resid 37 and name Ha)    4.0 4.0 0.0  !t229a- 3949
assign (resid 38 and name Hn) (resid 37 and name Hb)    4.0 4.0 0.0  !t129a- 1987 overlap with NOE's of t124 and t126 

!Leu38 - t225
!No NOE's

!Leu38 - t325
assign (resid 38 and name Hb1) (resid 35 and name Hb#) 5.0 5.0 1.0  !t403 - 3770  
assign (resid 38 and name Hb1) (resid 39 and name Hb#) 5.0 5.0 1.0  !t340 - 2171

!Leu38 - t425
!assign (resid 38 and name Hg) (resid 42 and name Hb1) 4.5 4.5 0.0  !t411 - 1075 NOT SURE ABOUT NOE CONNECTION 
!assign (resid 38 and name Hg) (resid 42 and name Hd#) 5.0 5.0 3.0  !t611 - 0682 NOT SURE ABOUT NOE CONNECTION 
!assign (resid 38 and name Hg) (resid 42 and name Hd1) 5.0 5.0 1.5  !t611 - 0682 NOT SURE ABOUT NOE CONNECTION 
!assign (resid 38 and name Hg) (resid 42 and name Hd2) 5.0 5.0 1.5  !t711 - 0640 NOT SURE ABOUT NOE CONNECTION 

!Leu38 - t525
!assign (resid 38 and name Hb2) (resid 42 and name Hb2) 4.5 4.5 0.0  !t511 - 0997 NOT SURE ABOUT NOE CONNECTION gives violations 
assign (resid 38 and name Hb2) (resid 40 and name Hd#) 4.5 4.5 1.0  !t338 - 3222
assign (resid 38 and name Hb2) (resid 40 and name He) 4.5 4.5 0.0  !t148 - 7170
assign (resid 38 and name Hb2) (resid 40 and name Hn) 4.5 4.5 0.0  !t138 - 7633
!assign (resid 38 and name Hb2) (resid 40 and name Hd#) 4.5 4.5 1.0  !t438 - 3120

!Leu38 - t625
!No NOE's 

!Leu38 - t725
!No NOE's

!Arg39 - t140
assign (resid 39 and name Hn) (resid 38 and name Hn)    4.0 4.0 0.0 !t125 - 8256
assign (resid 39 and name Hn) (resid 38 and name Ha) 5.0 5.0 0.0 !t125 - 8256 Unable to determine NOE size, overlap with own HA
assign (resid 39 and name Hn) (resid 38 and name Hg) 4.5 4.5 0.0 !t125 - 1509 NOE has overlap, unable to determine size

!Arg39 - t240
! No NOE's even in D2O

!Arg39 - t340
assign (resid 39 and name Hb#) (resid 13 and name Hg1#) 3.5 3.5 2.5  !t520 - 0992
assign (resid 39 and name Hb#) (resid 13 and name Hg2#) 4.0 4.0 2.5 !t420 - 1053
assign (resid 39 and name Hb#) (resid 37 and name Hg2#) 5.0 5.0 2.5  !t429a- 0906 Not sure about NOE

!Arg39 - t440
!No NOE's

!Arg39 - t540
assign (resid 39 and name Hg#) (resid 13 and name Hg1#) 3.5 3.5 2.5 !t520 - 0989

!Arg39 - t640
!No NOE's

!Arg39 - t740
assign (resid 39 and name Hd#) (resid 13 and name Hg1#) 4.5 4.5 2.5 !t520 - 0989 See t840

!Arg39 - t840
assign (resid 39 and name Hd#) (resid 37 and name Ha) 5.0 5.0 1.0 !t229a- 3949
assign (resid 39 and name Hd#) (resid 13 and name Hg1#) 4.0 4.0 2.5 !t520 - 0987


!Arg39 - t150
!assign (resid 39 and name He) (resid 16 and name Hd2#) 4.0 4.0 1.0 !t135 - 7759 Not sure about NOE
assign (resid 39 and name He) (resid 13 and name Hg1#) 4.5 4.5 1.5 !t520 - 0983


!Arg40 - t138
assign (resid 40 and name Hn) (resid 39 and name Hn)    4.5 4.5 0.0 !t140 - 7588 NOE size cannot be determined!
assign (resid 40 and name Hn) (resid 39 and name Ha)    3.5 3.5 0.0 !t140 - 4254
assign (resid 40 and name Hn) (resid 35 and name Hn)    4.5 4.5 0.0 !t103 - 9075
!Arg40 - t238
!No NOE's too close to water, even in D2O

!Arg40 - t538
assign (resid 40 and name Hg#) (resid 38 and name Hd#) 4.5 4.5 4.0 !t725 - 0887 could be noise

!Arg40 - t438
assign (resid 40 and name Hd#) (resid 38 and name Hd#) 5.0 5.0 4.0 !t725 - 0881

!Arg40 - t738
assign (resid 40 and name Hb#) (resid 38 and name Hd#) 4.0 4.0 4.0 !t725 - 0881

!Arg40 - t148
assign (resid 40 and name He) (resid 37 and name Hd#) 5.0 5.0 1.5 !t129a- 0899 Not 100% sure!

!Cys41 - t152a
assign (resid 41 and name Hn) (resid 40 and name Ha) 3.0 3.0 0.5 !t138 - 4659 strange peak (5-2-02)
assign (resid 41 and name Hn) (resid 40 and name Hg#) 3.5 3.5 1.0 !t238 - 1873
assign (resid 41 and name Hn) (resid 40 and name Hb#) 4.5 4.5 1.0 !t238 - 1450

!Leu42 - t111
assign (resid 42 and name Hn) (resid 41 and name Ha) 2.3 2.0 0.0 !t252a- 4485
assign (resid 42 and name Hn) (resid 35 and name Ha) 5.0 5.0 0.0 !t203 - 4658

!Leu42 - t211
!assign (resid 42 and name Ha) (resid 15 and name Hg#) 5.0 5.0 1.0 !t415 - 1485 DISTANCE GIVES VIOLATIONS, check later. 

!Leu42 - t311
!assign (resid 42 and name Hg) (resid 41 and name Hb2) 4.5 4.5 0.0 !t452a- 0802 Might be noise

!Leu42 - t611
assign (resid 42 and name Hd#) (resid 4 and name Hb#) 4.0 4.0 4.0 !t418 - 1673  
assign (resid 42 and name Hd#) (resid 4 and name Hd#) 4.0 4.0 4.0 !t518 - 1605

!Leu42 - t711
assign (resid 42 and name Hg) (resid 35 and name Hb#) 4.5 4.5 1.0 !t403 - 3770
assign (resid 42 and name Hg) (resid  6 and name Hg#) 4.5 4.5 1.0 !t312 - 2420
!assign (resid 42 and name Hg) (resid  6 and name Hg1) 4.5 4.5 1.0 !t312 - 2420
!assign (resid 42 and name Hg) (resid  6 and name Hg2) 4.5 4.5 1.0 !t412 - 2349
!!assign (resid 42 and name Hg) (resid 17 and name Hb#) 4.5 4.5 1.0 !t409a- 1878 or to t538 ARG 40
assign (resid 42 and name Hg) (resid  4 and name Hb#) 4.5 4.5 1.0 !t418 - 1669
!assign (resid 42 and name Hg) (resid 4 and name Hd#) 4.5 4.5 1.0 !t518 - 1605
!!assign (resid 42 and name Hg) (resid 17 and name Hg#) 4.5 4.5 1.0 !t509a- 1464 or to t738 ARG 40
 
!Cys43 - t107
assign (resid 43 and name Hn) (resid 42 and name Ha)    2.3 2.0 0.0 !t111 - 4366 
assign (resid 43 and name Hn) (resid 42 and name Hb1) 4.5 4.5 0.0 !t411 - 1073
assign (resid 43 and name Hn) (resid 42 and name Hb2) 5.0 5.0 0.0 !t511 - 0996
assign (resid 43 and name Hn) (resid 42 and name Hd#) 4.5 4.5 3.0 !t111 - 0686
assign (resid 43 and name Hn) (resid 42 and name Hg) 5.0 5.0 0.0 !t111 - 0641
assign (resid 43 and name Hn) (resid 4 and name Ha)     4.5 4.5 0.0 !t118 - 5630 
!Cys43 - t207
assign (resid 43 and name Ha) (resid 33 and name Hn) 5.0 5.0 0.0 !t106 - 8831
assign (resid 43 and name Ha) (resid 44 and name Hg2#) 4.5 4.5 1.5 !t121 - 1077

!Cys43 - t307

!Cys43 - t407
assign (resid 43 and name Hb2) (resid 24 and name Hb1) 5.0 5.0 0.0 !t313 - 2696

!Thr44 - t121
assign (resid 44 and name Hn) (resid 43 and name Ha)    2.3 2.0 0.0 !t107 - 5497
assign (resid 44 and name Hn) (resid 43 and name Hb1) 3.5 3.5 0.0 !t107 - 2505
assign (resid 44 and name Hn) (resid 43 and name Hb2) 4.5 4.5 0.0 !t107 - 1222 
assign (resid 44 and name Hn) (resid 29 and name Hd#)   4.5 4.5 2.0 !t151 - 7078
assign (resid 44 and name Hn) (resid 29 and name Hb1) 4.0 4.0 0.0 !t117 - 3422
assign (resid 44 and name Hn) (resid 29 and name Hb2) 4.5 4.5 0.0 !t117 - 2844
assign (resid 44 and name Hn) (resid 24 and name Hb1)   4.5 4.5 0.0 !t313 - 2687

!Thr44 - t221
assign (resid 44 and name Ha) (resid  3 and name Hn) 5.0 5.0 0.0 !t101 - 9312
assign (resid 44 and name Ha) (resid  2 and name Hg2#) 3.5 3.5 1.5 !t407a -1195 or to 610 (1-2-02)?

!Thr44 - t321
assign (resid 44 and name Hb) (resid  2 and name Hg2#) 2.8 2.8 1.5 !t407a- 1194 (to 610 gives viol)

!Lys45 - t110
assign (resid 45 and name Hn) (resid 44 and name Ha)    2.3 2.0 0.0 !t121 - 5641
assign (resid 45 and name Hn) (resid 44 and name Hb)    3.0 3.0 0.0 !t121 - 4143
assign (resid 45 and name Hn) (resid 44 and name Hg2#) 3.5 3.5 1.5 !t121 - 1076
!assign (resid 45 and name Hn) (resid 29 and name Hd#) 3.5 3.5 2.0 !t151 - 7080
assign (resid 45 and name Hn) (resid  3 and name Hb2) 4.5 4.5 0.0 !t401 - 2871

!Lys45 - t210
assign (resid 45 and name Ha) (resid 44 and name Ha) 4.5 4.5 0.0 !t221 - 5642 
assign (resid 45 and name Ha) (resid 44 and name Hb) 4.5 4.5 0.0 !t321 - 4138
assign (resid 45 and name Ha) (resid 30 and name Hb#) 3.0 3.0 1.0 !t221 - 4072
assign (resid 45 and name Ha) (resid 46 and name Hg#) 4.0 4.0 1.0 !t508 - 2589
assign (resid 45 and name Ha) (resid 46 and name Hn) 4.5 4.5 0.0 !t108 - 8767

!Lys45 - t310
 

!Lys45 - t610
!assign (resid 45 and name Hg#) (resid  3 and name Hn) 3.0 3.0 1.0 !t101 - 9313 (1-2-02) removed (23-2-02)             (31-1-02)

!Glu46 - t108
assign (resid 46 and name Hn) (resid 45 and name Hb2) 3.5 3.5 0.0 !t110 - 2154 overlap with own HB
assign (resid 46 and name Hn) (resid 45 and name Hb1) 4.5 4.5 0.0 !t110 - 1989 overlap with other NOE
assign (resid 46 and name Hn) (resid 45 and name Hg#) 4.0 4.0 1.0 !t610 - 1191 from t107a (31-1-02)only 1 NOE of HG and overlap with HG of 107a 
assign (resid 46 and name Hn) (resid  3 and name Hn) 5.0 5.0 0.0 !t101 - 9313

!Glu46 - t208
assign (resid 46 and name Ha) (resid  2 and name Hg2#) 4.0 4.0 1.5 !t407a- 1192 

!Glu46 - t308
assign (resid 46 and name Hb#) (resid 45 and name Hg#) 4.0 4.0 2.0 !t610 - 1195 to t407a? (1-2-02)
assign (resid 46 and name Hb#) (resid  1 and name Hb#) 4.0 4.0 2.5 !t357 - 1582

!Glu46 - t408


!Cys47 - t114
assign (resid 47 and name Hn) (resid 46 and name Ha)    2.3 2.3 0.0 !t108 - 4862
assign (resid 47 and name Hn) (resid  2 and name Ha)    4.5 4.5 0.0 !t207a- 4910
assign (resid 47 and name Hn) (resid 46 and name Hb#)   4.0 4.0 1.0 !t108 - 2135
!assign (resid 47 and name Hn) (resid 46 and name Hb1)  4.0 4.0 0.0  !t108 - 2135
!assign (resid 47 and name Hn) (resid 46 and name Hb2)  4.5 4.5 0.0 !t108 - 2075
assign (resid 47 and name Hn) (resid 46 and name Hg#)   3.5 3.5 1.0 !t508 - 2583 only 1 NOE of Hg
assign (resid 47 and name Hn) (resid  3 and name Hn) 4.5 4.5 0.0 !t101 - 9312 
assign (resid 47 and name Hn) (resid  1 and name Ha) 4.5 1.0 0.0 !t357 - 1584 put in lower limit (21-2-02)

!Cys47 - t214
assign (resid 47 and name Ha) (resid  3 and name Hb2) 4.5 4.5 0.7 !t401 - 2870 might be noise
assign (resid 47 and name Ha) (resid 45 and name He#) 5.0 5.0 1.0 !t1010- 2739

!Cys47 - t314
assign (resid 47 and name Hb1) (resid  3 and name Hb2) 4.5 4.5 0.0 !t401 - 2870
assign (resid 47 and name Hb1) (resid 45 and name He#) 5.0 5.0 1.0 !t1010- 2744
assign (resid 47 and name Hb1) (resid 45 and name Hg#) 4.5 4.5 1.0 !t610 - 1193

!Cys47 - t414
!assign (resid 47 and name Hb2) (resid 46 and name Ha) 4.5 4.5 0.0 !t208 - 4863 overlap NOE, from 21 to 31?
!assign (resid 47 and name Hb2) (resid 46 and name Hg#) 4.0 4.0 1.0 !t508 - 2583 overlap NOE, gives viol


!--------------------------------------------------------------
!long range NOEs within the beta sheet
!--------------------------------------------------------------

!Strand I - Strand III
!--------------------------------------------------------------

!Thr2 - t107a
!assign (resid 2 and name Ha) (resid 47 and name Hn)    4.0 4.0 0.0 !Cys47 - t114 !t207a- 4911 not sure might be to t210
!assign (resid 2 and name Ha) (resid 46 and name Ha)    2.3 2.3 0.2 !Glu46 - t108 in water region, is not there

!Cys3 - t101
assign (resid 3 and name Hn) (resid 45 and name Hn) 4.0 4.0 0.0 !Lys45 - t110 Maybe smaller NOE expect 3.3 3.3 0.4

!Lys4 - t118
assign (resid 4 and name Ha) (resid 45 and name Hn)    3.5 3.5 0.4 !Lys45 - t110 overlap

!Ala5 - t128
assign (resid 5 and name Hn) (resid 43 and name Hn)    3.3 3.3 0.4 !Cys43 - t107
assign (resid 5 and name Hn) (resid 44 and name Ha)    3.5 3.5 0.4 !Thr44 - t121 overlap

!Glu6 - t112
assign (resid 6 and name Ha) (resid 43 and name Hn)    3.2 3.2 0.4 !Cys43 - t107 
assign (resid 6 and name Ha) (resid 42 and name Ha)    2.3 2.3 0.2 !Leu42 - t111 maybe much smaller? but is close to diagonal and small because of fasing

!Cys7 - t130
assign (resid 7 and name Hn) (resid 42 and name Ha)    3.2 3.2 0.4 !Leu42 - t111

!Strand II - Strand III
!--------------------------------------------------------------

!Asp31 - t122
assign (resid 31 and name Hn) (resid 45 and name Ha)    4.5 4.5 0.0 !Lys45 - t110  expect 3.2
assign (resid 31 and name Hn) (resid 44 and name Hn)    3.3 3.3 0.4 !Thr44 - t121

!Gly32 - t123
assign (resid 32 and name Ha#) (resid 44 and name Hn)   3.2 3.2 1.4 !Thr44 - t121 IN 250 4.5 4.5 0.7, NOE in 400 bigger (3.5 3.5 0.5) 
!assign (resid 32 and name Ha#) (resid 43 and name Ha) 2.3 2.3 1.2 !Cys43 - t107 maybe NOE smaller, but close to water

!His33 - t106
assign (resid 33 and name Hn) (resid 43 and name Ha)    3.2 3.2 0.4 !Cys43 - t107 NOE IN 250 a lot smaller (4.7 4.7 0.7)
assign (resid 33 and name Hn) (resid 42 and name Hn)    4.0 4.0 0.5 !Leu42 - t111 expect 3.3 3.3 0.4

!Cys34 - t102
assign (resid 34 and name Ha) (resid 42 and name Hn)    4.5 4.5 0.0 !Leu42 - t111 expect 3.2 3.2 0.4


!Hydrogen Bonds
!--------------------------------------------------------------

assign (resid  5 and name HN) (resid 43 and name O)  1.9 0.6 0.3
assign (resid  5 and name N)  (resid 43 and name O)  2.7 0.6 0.3

assign (resid  7 and name HN) (resid 41 and name O)  1.9 0.6 0.3
assign (resid  7 and name N)  (resid 41 and name O)  2.7 0.6 0.3

assign (resid 21 and name HN) (resid 17 and name O)  1.9 0.6 0.3
assign (resid 21 and name N)  (resid 17 and name O)  2.7 0.6 0.3

assign (resid 22 and name HN) (resid 18 and name O)  1.9 0.6 0.3
assign (resid 22 and name N)  (resid 18 and name O)  2.7 0.6 0.3

assign (resid 23 and name HN) (resid 19 and name O)  1.9 0.6 0.3
assign (resid 23 and name N)  (resid 19 and name O)  2.7 0.6 0.3

assign (resid 24 and name HN) (resid 20 and name O)  1.9 0.6 0.3
assign (resid 24 and name N)  (resid 20 and name O)  2.7 0.6 0.3

assign (resid 25 and name HN) (resid 21 and name O)  1.9 0.6 0.3
assign (resid 25 and name N)  (resid 21 and name O)  2.7 0.6 0.3

assign (resid 26 and name HN) (resid 22 and name O)  1.9 0.6 0.3
assign (resid 26 and name N)  (resid 22 and name O)  2.7 0.6 0.3

assign (resid 27 and name HN) (resid 23 and name O)  1.9 0.6 0.3
assign (resid 27 and name N)  (resid 23 and name O)  2.7 0.6 0.3

assign (resid 28 and name HN) (resid 25 and name O)  1.9 0.6 0.3
assign (resid 28 and name N)  (resid 25 and name O)  2.7 0.6 0.3

assign (resid 29 and name HN) (resid 24 and name O)  1.9 0.6 0.3
assign (resid 29 and name N)  (resid 24 and name O)  2.7 0.6 0.3

assign (resid 33 and name HN) (resid 42 and name O)  1.9 0.6 0.3
assign (resid 33 and name N)  (resid 42 and name O)  2.7 0.6 0.3

assign (resid 43 and name HN) (resid  5 and name O)  1.9 0.6 0.3
assign (resid 43 and name N)  (resid  5 and name O)  2.7 0.6 0.3

assign (resid 44 and name HN) (resid 31 and name O)  1.9 0.6 0.3
assign (resid 44 and name N)  (resid 31 and name O)  2.7 0.6 0.3

assign (resid 45 and name HN) (resid  3 and name O)  1.9 0.6 0.3
assign (resid 45 and name N)  (resid  3 and name O)  2.7 0.6 0.3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          HT1       ALA   1 -10.841   8.695 -11.397
    2   2H    ALA   1          HT2       ALA   1 -11.569  10.175 -11.023
    3   3H    ALA   1          HT3       ALA   1 -11.152   9.102  -9.783
    4    HA   ALA   1           HA       ALA   1  -8.979   9.844 -11.500
    5   1HB   ALA   1          HB1       ALA   1 -10.040  11.918  -9.596
    6   2HB   ALA   1          HB2       ALA   1 -10.358  11.945 -11.330
    7   3HB   ALA   1          HB3       ALA   1  -8.703  12.072 -10.735
    8    H    THR   2           HN       THR   2  -9.483   7.745  -9.689
    9    HA   THR   2           HA       THR   2  -7.312   8.169  -7.827
   10    HB   THR   2           HB       THR   2  -9.968   7.191  -6.757
   11    HG1  THR   2           HG1      THR   2  -8.856   9.786  -6.884
   12   1HG2  THR   2          HG21      THR   2  -7.941   8.322  -4.954
   13   2HG2  THR   2          HG22      THR   2  -7.454   6.831  -5.760
   14   3HG2  THR   2          HG23      THR   2  -8.922   6.867  -4.784
   15    H    CYS   3           HN       CYS   3  -6.071   6.388  -7.939
   16    HA   CYS   3           HA       CYS   3  -7.395   3.850  -8.635
   17   1HB   CYS   3          HB2       CYS   3  -4.798   5.007  -9.632
   18   2HB   CYS   3          HB1       CYS   3  -5.139   3.278  -9.727
   19    H    LYS   4           HN       LYS   4  -6.875   2.064  -7.513
   20    HA   LYS   4           HA       LYS   4  -4.771   2.264  -5.459
   21   1HB   LYS   4          HB2       LYS   4  -6.971   2.607  -4.398
   22   2HB   LYS   4          HB1       LYS   4  -7.534   1.086  -5.081
   23   1HG   LYS   4          HG2       LYS   4  -5.448   0.114  -3.820
   24   2HG   LYS   4          HG1       LYS   4  -5.629   1.575  -2.848
   25   1HD   LYS   4          HD2       LYS   4  -6.842  -0.210  -1.799
   26   2HD   LYS   4          HD1       LYS   4  -7.996   0.955  -2.450
   27   1HE   LYS   4          HE2       LYS   4  -8.716  -1.335  -2.902
   28   2HE   LYS   4          HE1       LYS   4  -8.356  -0.478  -4.399
   29   1HZ   LYS   4          HZ1       LYS   4  -6.085  -1.900  -3.338
   30   2HZ   LYS   4          HZ2       LYS   4  -6.745  -1.919  -4.898
   31   3HZ   LYS   4          HZ3       LYS   4  -7.387  -2.919  -3.699
   32    H    ALA   5           HN       ALA   5  -3.593   0.492  -5.134
   33    HA   ALA   5           HA       ALA   5  -4.372  -2.116  -6.063
   34   1HB   ALA   5          HB1       ALA   5  -3.020  -2.382  -7.874
   35   2HB   ALA   5          HB2       ALA   5  -1.796  -1.273  -7.256
   36   3HB   ALA   5          HB3       ALA   5  -3.255  -0.640  -8.018
   37    H    GLU   6           HN       GLU   6  -3.474  -3.553  -4.683
   38    HA   GLU   6           HA       GLU   6  -1.861  -2.596  -2.572
   39   1HB   GLU   6          HB2       GLU   6  -2.615  -5.429  -3.320
   40   2HB   GLU   6          HB1       GLU   6  -1.682  -5.014  -1.907
   41   1HG   GLU   6          HG2       GLU   6  -4.104  -5.430  -1.492
   42   2HG   GLU   6          HG1       GLU   6  -3.489  -3.896  -0.894
   43    H    CYS   7           HN       CYS   7   0.235  -2.875  -2.129
   44    HA   CYS   7           HA       CYS   7   2.135  -2.724  -4.093
   45   1HB   CYS   7          HB2       CYS   7   2.900  -2.122  -1.990
   46   2HB   CYS   7          HB1       CYS   7   2.212  -3.542  -1.216
   47    HA   PRO   8           HA       PRO   8   2.007  -6.731  -6.049
   48   1HB   PRO   8          HB2       PRO   8   4.744  -5.894  -6.883
   49   2HB   PRO   8          HB1       PRO   8   3.400  -6.485  -7.866
   50   1HG   PRO   8          HG2       PRO   8   4.028  -3.901  -7.853
   51   2HG   PRO   8          HG1       PRO   8   2.333  -4.423  -7.885
   52   1HD   PRO   8          HD2       PRO   8   3.941  -3.334  -5.617
   53   2HD   PRO   8          HD1       PRO   8   2.228  -3.085  -6.010
   54    H    THR   9           HN       THR   9   5.011  -5.670  -4.491
   55    HA   THR   9           HA       THR   9   5.716  -8.412  -3.844
   56    HB   THR   9           HB       THR   9   7.694  -7.124  -2.704
   57    HG1  THR   9           HG1      THR   9   6.728  -5.043  -2.900
   58   1HG2  THR   9          HG21      THR   9   8.622  -6.728  -5.153
   59   2HG2  THR   9          HG22      THR   9   7.163  -7.614  -5.593
   60   3HG2  THR   9          HG23      THR   9   8.355  -8.354  -4.525
   61    H    TRP  10           HN       TRP  10   3.348  -7.665  -2.636
   62    HA   TRP  10           HA       TRP  10   4.158  -7.582   0.185
   63   1HB   TRP  10          HB2       TRP  10   3.264  -5.346  -0.768
   64   2HB   TRP  10          HB1       TRP  10   1.696  -6.147  -0.770
   65    HD1  TRP  10           HD1      TRP  10   0.534  -6.583   1.562
   66    HE1  TRP  10           HE1      TRP  10   1.011  -5.677   3.943
   67    HE3  TRP  10           HE3      TRP  10   5.151  -4.554   0.740
   68    HZ2  TRP  10           HZ2      TRP  10   3.096  -4.247   5.269
   69    HZ3  TRP  10           HZ3      TRP  10   6.302  -3.423   2.592
   70    HH2  TRP  10           HH2      TRP  10   5.294  -3.277   4.806
   71    H    ASP  11           HN       ASP  11   3.504  -9.394   1.069
   72    HA   ASP  11           HA       ASP  11   0.757 -10.251   0.771
   73   1HB   ASP  11          HB2       ASP  11   2.232 -11.424  -1.021
   74   2HB   ASP  11          HB1       ASP  11   2.888 -12.334   0.339
   75    H    SER  12           HN       SER  12   1.727  -9.076   2.889
   76    HA   SER  12           HA       SER  12   1.693 -11.139   4.910
   77   1HB   SER  12          HB2       SER  12   4.005  -9.185   4.723
   78   2HB   SER  12          HB1       SER  12   3.721 -10.313   6.048
   79    HG   SER  12           HG       SER  12   3.671 -11.682   3.763
   80    H    VAL  13           HN       VAL  13   1.783 -10.015   7.146
   81    HA   VAL  13           HA       VAL  13  -0.275  -8.017   7.145
   82    HB   VAL  13           HB       VAL  13   1.279  -9.224   9.442
   83   1HG1  VAL  13          HG11      VAL  13  -0.803  -8.471  10.731
   84   2HG1  VAL  13          HG12      VAL  13  -1.100  -7.399   9.362
   85   3HG1  VAL  13          HG13      VAL  13   0.386  -7.243  10.299
   86   1HG2  VAL  13          HG21      VAL  13  -1.553  -9.910   8.854
   87   2HG2  VAL  13          HG22      VAL  13  -0.284 -10.882   9.598
   88   3HG2  VAL  13          HG23      VAL  13  -0.292 -10.631   7.853
   89    H    CYS  14           HN       CYS  14   0.014  -5.908   7.120
   90    HA   CYS  14           HA       CYS  14   2.609  -4.721   7.267
   91   1HB   CYS  14          HB2       CYS  14   1.235  -3.579   5.793
   92   2HB   CYS  14          HB1       CYS  14  -0.176  -3.718   6.837
   93    H    ILE  15           HN       ILE  15   3.617  -3.906   8.972
   94    HA   ILE  15           HA       ILE  15   2.193  -3.797  11.525
   95    HB   ILE  15           HB       ILE  15   5.166  -3.641  10.988
   96   1HG1  ILE  15          HG12      ILE  15   3.510  -5.967  11.993
   97   2HG1  ILE  15          HG11      ILE  15   4.149  -5.821  10.360
   98   1HG2  ILE  15          HG21      ILE  15   5.383  -3.047  13.116
   99   2HG2  ILE  15          HG22      ILE  15   4.562  -4.527  13.611
  100   3HG2  ILE  15          HG23      ILE  15   3.630  -3.060  13.311
  101   1HD1  ILE  15          HD11      ILE  15   5.841  -7.035  11.162
  102   2HD1  ILE  15          HD12      ILE  15   5.471  -6.629  12.838
  103   3HD1  ILE  15          HD13      ILE  15   6.399  -5.507  11.842
  104    H    ASN  16           HN       ASN  16   4.031  -1.817   9.277
  105    HA   ASN  16           HA       ASN  16   3.040   0.569  10.647
  106   1HB   ASN  16          HB2       ASN  16   5.395   0.075  11.401
  107   2HB   ASN  16          HB1       ASN  16   5.914   0.301   9.735
  108   1HD2  ASN  16          HD21      ASN  16   5.243   1.786  12.681
  109   2HD2  ASN  16          HD22      ASN  16   5.369   3.432  12.168
  110    H    LYS  17           HN       LYS  17   2.885   2.416   9.294
  111    HA   LYS  17           HA       LYS  17   2.030   1.875   6.672
  112   1HB   LYS  17          HB2       LYS  17   1.302   3.764   8.210
  113   2HB   LYS  17          HB1       LYS  17   2.779   4.593   7.743
  114   1HG   LYS  17          HG2       LYS  17   2.043   4.542   5.393
  115   2HG   LYS  17          HG1       LYS  17   0.540   3.767   5.900
  116   1HD   LYS  17          HD2       LYS  17   0.132   5.748   7.390
  117   2HD   LYS  17          HD1       LYS  17   1.521   6.525   6.630
  118   1HE   LYS  17          HE2       LYS  17  -0.960   5.573   5.198
  119   2HE   LYS  17          HE1       LYS  17  -0.615   7.243   5.639
  120   1HZ   LYS  17          HZ1       LYS  17   0.793   5.553   3.655
  121   2HZ   LYS  17          HZ2       LYS  17   1.452   6.997   4.238
  122   3HZ   LYS  17          HZ3       LYS  17  -0.012   7.020   3.389
  123    H    LYS  18           HN       LYS  18   5.093   3.136   7.917
  124    HA   LYS  18           HA       LYS  18   6.225   4.196   5.657
  125   1HB   LYS  18          HB2       LYS  18   7.590   2.610   7.828
  126   2HB   LYS  18          HB1       LYS  18   8.445   3.540   6.605
  127   1HG   LYS  18          HG2       LYS  18   7.236   5.568   7.401
  128   2HG   LYS  18          HG1       LYS  18   6.577   4.594   8.716
  129   1HD   LYS  18          HD2       LYS  18   9.513   5.046   8.178
  130   2HD   LYS  18          HD1       LYS  18   8.561   5.885   9.403
  131   1HE   LYS  18          HE2       LYS  18   8.136   3.786  10.545
  132   2HE   LYS  18          HE1       LYS  18   9.001   2.902   9.289
  133   1HZ   LYS  18          HZ1       LYS  18  10.406   3.231  11.206
  134   2HZ   LYS  18          HZ2       LYS  18  10.176   4.906  11.141
  135   3HZ   LYS  18          HZ3       LYS  18  11.016   4.120   9.902
  136    HA   PRO  19           HA       PRO  19   8.082  -0.267   4.393
  137   1HB   PRO  19          HB2       PRO  19   5.658  -1.703   5.426
  138   2HB   PRO  19          HB1       PRO  19   7.304  -2.310   5.231
  139   1HG   PRO  19          HG2       PRO  19   6.456  -1.638   7.629
  140   2HG   PRO  19          HG1       PRO  19   8.080  -1.142   7.111
  141   1HD   PRO  19          HD2       PRO  19   5.579   0.480   7.325
  142   2HD   PRO  19          HD1       PRO  19   7.257   0.942   7.671
  143    H    CYS  20           HN       CYS  20   4.574   0.149   4.626
  144    HA   CYS  20           HA       CYS  20   3.933  -0.831   2.066
  145   1HB   CYS  20          HB2       CYS  20   2.272  -0.646   3.854
  146   2HB   CYS  20          HB1       CYS  20   2.447   1.104   3.872
  147    H    VAL  21           HN       VAL  21   4.261   2.517   3.271
  148    HA   VAL  21           HA       VAL  21   3.796   3.831   0.844
  149    HB   VAL  21           HB       VAL  21   5.670   4.740   3.044
  150   1HG1  VAL  21          HG11      VAL  21   5.822   5.967   0.878
  151   2HG1  VAL  21          HG12      VAL  21   5.304   6.965   2.237
  152   3HG1  VAL  21          HG13      VAL  21   4.121   6.397   1.059
  153   1HG2  VAL  21          HG21      VAL  21   3.569   4.278   4.056
  154   2HG2  VAL  21          HG22      VAL  21   2.691   5.049   2.735
  155   3HG2  VAL  21          HG23      VAL  21   3.665   6.025   3.835
  156    H    ALA  22           HN       ALA  22   6.720   2.408   2.194
  157    HA   ALA  22           HA       ALA  22   8.579   3.405   0.346
  158   1HB   ALA  22          HB1       ALA  22   8.685   1.728   2.524
  159   2HB   ALA  22          HB2       ALA  22  10.038   2.135   1.469
  160   3HB   ALA  22          HB3       ALA  22   9.110   0.664   1.183
  161    H    CYS  23           HN       CYS  23   6.642   0.411   0.299
  162    HA   CYS  23           HA       CYS  23   7.603  -0.527  -2.183
  163   1HB   CYS  23          HB2       CYS  23   6.231  -1.879  -0.527
  164   2HB   CYS  23          HB1       CYS  23   4.822  -1.015  -1.125
  165    H    CYS  24           HN       CYS  24   4.711   1.303  -1.321
  166    HA   CYS  24           HA       CYS  24   3.622   1.559  -3.863
  167   1HB   CYS  24          HB2       CYS  24   3.483   3.506  -1.557
  168   2HB   CYS  24          HB1       CYS  24   2.408   3.501  -2.949
  169    H    LYS  25           HN       LYS  25   6.044   3.600  -2.253
  170    HA   LYS  25           HA       LYS  25   6.134   5.586  -4.254
  171   1HB   LYS  25          HB2       LYS  25   8.132   4.720  -2.175
  172   2HB   LYS  25          HB1       LYS  25   8.469   6.023  -3.307
  173   1HG   LYS  25          HG2       LYS  25   6.517   7.243  -2.484
  174   2HG   LYS  25          HG1       LYS  25   6.188   5.939  -1.343
  175   1HD   LYS  25          HD2       LYS  25   8.707   7.600  -1.411
  176   2HD   LYS  25          HD1       LYS  25   7.359   7.843  -0.299
  177   1HE   LYS  25          HE2       LYS  25   7.701   5.557   0.565
  178   2HE   LYS  25          HE1       LYS  25   9.094   5.384  -0.504
  179   1HZ   LYS  25          HZ1       LYS  25  10.253   7.059   0.666
  180   2HZ   LYS  25          HZ2       LYS  25   9.611   6.025   1.841
  181   3HZ   LYS  25          HZ3       LYS  25   8.878   7.520   1.539
  182    H    LYS  26           HN       LYS  26   8.115   2.644  -3.783
  183    HA   LYS  26           HA       LYS  26   9.628   3.142  -6.155
  184   1HB   LYS  26          HB2       LYS  26  10.513   0.855  -5.872
  185   2HB   LYS  26          HB1       LYS  26  10.644   1.820  -4.414
  186   1HG   LYS  26          HG2       LYS  26   9.987  -0.248  -3.627
  187   2HG   LYS  26          HG1       LYS  26   8.469   0.645  -3.695
  188   1HD   LYS  26          HD2       LYS  26   8.197  -1.616  -4.572
  189   2HD   LYS  26          HD1       LYS  26   7.942  -0.414  -5.838
  190   1HE   LYS  26          HE2       LYS  26  10.278  -0.781  -6.585
  191   2HE   LYS  26          HE1       LYS  26  10.425  -2.065  -5.385
  192   1HZ   LYS  26          HZ1       LYS  26   9.902  -2.986  -7.533
  193   2HZ   LYS  26          HZ2       LYS  26   8.530  -2.006  -7.669
  194   3HZ   LYS  26          HZ3       LYS  26   8.589  -3.219  -6.491
  195    H    ALA  27           HN       ALA  27   6.501   2.073  -5.651
  196    HA   ALA  27           HA       ALA  27   6.377   0.538  -8.138
  197   1HB   ALA  27          HB1       ALA  27   4.666   0.776  -5.738
  198   2HB   ALA  27          HB2       ALA  27   5.063  -0.638  -6.714
  199   3HB   ALA  27          HB3       ALA  27   3.840   0.504  -7.272
  200    H    LYS  28           HN       LYS  28   6.316   3.662  -7.248
  201    HA   LYS  28           HA       LYS  28   5.809   5.587  -8.308
  202   1HB   LYS  28          HB2       LYS  28   6.304   4.239 -10.376
  203   2HB   LYS  28          HB1       LYS  28   4.580   3.935 -10.515
  204   1HG   LYS  28          HG2       LYS  28   4.131   6.259 -10.859
  205   2HG   LYS  28          HG1       LYS  28   5.806   6.684 -10.501
  206   1HD   LYS  28          HD2       LYS  28   5.343   6.683 -12.919
  207   2HD   LYS  28          HD1       LYS  28   6.561   5.487 -12.472
  208   1HE   LYS  28          HE2       LYS  28   4.766   3.760 -12.459
  209   2HE   LYS  28          HE1       LYS  28   3.649   4.980 -13.069
  210   1HZ   LYS  28          HZ1       LYS  28   4.413   3.803 -14.934
  211   2HZ   LYS  28          HZ2       LYS  28   6.024   3.847 -14.423
  212   3HZ   LYS  28          HZ3       LYS  28   5.270   5.262 -14.960
  213    H    PHE  29           HN       PHE  29   4.223   4.917  -6.312
  214    HA   PHE  29           HA       PHE  29   1.539   5.746  -7.197
  215   1HB   PHE  29          HB2       PHE  29   2.305   3.806  -5.018
  216   2HB   PHE  29          HB1       PHE  29   0.760   4.640  -4.992
  217    HD1  PHE  29           HD1      PHE  29   2.854   2.557  -7.281
  218    HD2  PHE  29           HD2      PHE  29  -1.048   3.652  -5.989
  219    HE1  PHE  29           HE1      PHE  29   1.887   0.845  -8.760
  220    HE2  PHE  29           HE2      PHE  29  -2.022   1.942  -7.463
  221    HZ   PHE  29           HZ       PHE  29  -0.554   0.535  -8.851
  222    H    SER  30           HN       SER  30   0.508   7.304  -5.904
  223    HA   SER  30           HA       SER  30   2.133   9.310  -4.883
  224   1HB   SER  30          HB2       SER  30  -0.741   9.007  -4.063
  225   2HB   SER  30          HB1       SER  30   0.156  10.481  -4.433
  226    HG   SER  30           HG       SER  30  -0.130  10.163  -6.540
  227    H    ASP  31           HN       ASP  31   0.179   6.925  -3.102
  228    HA   ASP  31           HA       ASP  31   2.028   6.911  -0.919
  229   1HB   ASP  31          HB2       ASP  31   0.871   8.974  -0.317
  230   2HB   ASP  31          HB1       ASP  31  -0.688   8.164  -0.440
  231    H    GLY  32           HN       GLY  32   1.602   5.273   0.600
  232   1HA   GLY  32          HA2       GLY  32  -0.446   3.345  -0.303
  233   2HA   GLY  32          HA1       GLY  32   1.113   2.879   0.365
  234    H    HIS  33           HN       HIS  33  -1.747   2.376   1.142
  235    HA   HIS  33           HA       HIS  33  -1.398   3.061   3.976
  236   1HB   HIS  33          HB2       HIS  33  -3.824   3.474   4.180
  237   2HB   HIS  33          HB1       HIS  33  -3.040   4.622   3.110
  238    HD1  HIS  33           HD1      HIS  33  -5.615   1.953   3.192
  239    HD2  HIS  33           HD2      HIS  33  -3.734   4.315   0.342
  240    HE1  HIS  33           HE1      HIS  33  -6.974   1.699   1.094
  241    H    CYS  34           HN       CYS  34  -1.618   1.413   5.281
  242    HA   CYS  34           HA       CYS  34  -2.019  -1.201   4.235
  243   1HB   CYS  34          HB2       CYS  34  -1.791  -0.291   7.108
  244   2HB   CYS  34          HB1       CYS  34  -1.640  -1.951   6.534
  245    H    SER  35           HN       SER  35  -3.733  -2.480   4.248
  246    HA   SER  35           HA       SER  35  -6.313  -1.392   4.705
  247   1HB   SER  35          HB2       SER  35  -5.819  -3.080   2.954
  248   2HB   SER  35          HB1       SER  35  -5.522  -4.274   4.216
  249    HG   SER  35           HG       SER  35  -7.843  -3.560   3.116
  250    H    LYS  36           HN       LYS  36  -7.961  -2.457   6.037
  251    HA   LYS  36           HA       LYS  36  -6.962  -2.900   8.730
  252   1HB   LYS  36          HB2       LYS  36  -8.767  -1.340   8.572
  253   2HB   LYS  36          HB1       LYS  36  -9.718  -2.439   7.584
  254   1HG   LYS  36          HG2       LYS  36  -9.978  -3.941   9.481
  255   2HG   LYS  36          HG1       LYS  36  -9.003  -2.860  10.479
  256   1HD   LYS  36          HD2       LYS  36 -11.611  -2.113   9.157
  257   2HD   LYS  36          HD1       LYS  36 -11.436  -2.586  10.847
  258   1HE   LYS  36          HE2       LYS  36  -9.928  -0.678  11.206
  259   2HE   LYS  36          HE1       LYS  36 -10.145  -0.201   9.523
  260   1HZ   LYS  36          HZ1       LYS  36 -11.594   0.805  11.475
  261   2HZ   LYS  36          HZ2       LYS  36 -12.556  -0.542  11.131
  262   3HZ   LYS  36          HZ3       LYS  36 -12.217   0.586   9.917
  263    H    ILE  37           HN       ILE  37  -8.478  -4.607   6.111
  264    HA   ILE  37           HA       ILE  37  -9.369  -6.873   7.560
  265    HB   ILE  37           HB       ILE  37  -8.598  -6.944   4.660
  266   1HG1  ILE  37          HG12      ILE  37 -11.225  -5.902   5.729
  267   2HG1  ILE  37          HG11      ILE  37  -9.923  -4.864   5.153
  268   1HG2  ILE  37          HG21      ILE  37 -10.958  -8.249   4.897
  269   2HG2  ILE  37          HG22      ILE  37 -10.254  -8.544   6.487
  270   3HG2  ILE  37          HG23      ILE  37  -9.379  -9.024   5.033
  271   1HD1  ILE  37          HD11      ILE  37 -11.057  -4.978   3.220
  272   2HD1  ILE  37          HD12      ILE  37 -11.852  -6.492   3.651
  273   3HD1  ILE  37          HD13      ILE  37 -10.197  -6.509   3.037
  274    H    LEU  38           HN       LEU  38  -7.340  -7.678   4.904
  275    HA   LEU  38           HA       LEU  38  -5.819  -9.506   6.492
  276   1HB   LEU  38          HB2       LEU  38  -6.573  -9.857   4.107
  277   2HB   LEU  38          HB1       LEU  38  -5.319  -8.735   3.626
  278    HG   LEU  38           HG       LEU  38  -3.616 -10.205   4.574
  279   1HD1  LEU  38          HD11      LEU  38  -5.747 -12.279   4.984
  280   2HD1  LEU  38          HD12      LEU  38  -5.235 -11.197   6.279
  281   3HD1  LEU  38          HD13      LEU  38  -4.072 -12.294   5.534
  282   1HD2  LEU  38          HD21      LEU  38  -4.175 -10.465   2.235
  283   2HD2  LEU  38          HD22      LEU  38  -5.496 -11.559   2.645
  284   3HD2  LEU  38          HD23      LEU  38  -3.827 -12.043   2.942
  285    H    ARG  39           HN       ARG  39  -5.566  -6.339   6.242
  286    HA   ARG  39           HA       ARG  39  -4.009  -4.780   6.736
  287   1HB   ARG  39          HB2       ARG  39  -3.544  -6.572   8.503
  288   2HB   ARG  39          HB1       ARG  39  -2.171  -7.036   7.511
  289   1HG   ARG  39          HG2       ARG  39  -1.491  -5.580   9.316
  290   2HG   ARG  39          HG1       ARG  39  -1.232  -4.804   7.753
  291   1HD   ARG  39          HD2       ARG  39  -3.249  -3.497   8.036
  292   2HD   ARG  39          HD1       ARG  39  -3.602  -4.326   9.553
  293    HE   ARG  39           HE       ARG  39  -1.090  -3.252   9.875
  294   1HH1  ARG  39          HH11      ARG  39  -4.260  -2.002   9.092
  295   2HH1  ARG  39          HH12      ARG  39  -4.015  -0.493   9.909
  296   1HH2  ARG  39          HH21      ARG  39  -0.747  -1.264  10.958
  297   2HH2  ARG  39          HH22      ARG  39  -2.004  -0.071  10.980
  298    H    ARG  40           HN       ARG  40  -4.112  -5.967   4.062
  299    HA   ARG  40           HA       ARG  40  -1.453  -6.181   3.036
  300   1HB   ARG  40          HB2       ARG  40  -4.144  -5.823   1.740
  301   2HB   ARG  40          HB1       ARG  40  -2.663  -5.766   0.796
  302   1HG   ARG  40          HG2       ARG  40  -2.109  -8.034   1.617
  303   2HG   ARG  40          HG1       ARG  40  -3.676  -8.081   2.429
  304   1HD   ARG  40          HD2       ARG  40  -4.804  -7.786   0.281
  305   2HD   ARG  40          HD1       ARG  40  -3.243  -7.712  -0.536
  306    HE   ARG  40           HE       ARG  40  -4.637 -10.055   0.322
  307   1HH1  ARG  40          HH11      ARG  40  -1.457  -8.755  -0.428
  308   2HH1  ARG  40          HH12      ARG  40  -0.721 -10.323  -0.579
  309   1HH2  ARG  40          HH21      ARG  40  -3.618 -12.119   0.109
  310   2HH2  ARG  40          HH22      ARG  40  -1.916 -12.199  -0.269
  311    H    CYS  41           HN       CYS  41  -0.429  -4.687   1.573
  312    HA   CYS  41           HA       CYS  41  -0.715  -1.942   2.446
  313   1HB   CYS  41          HB2       CYS  41   1.528  -2.737   2.275
  314   2HB   CYS  41          HB1       CYS  41   1.252  -3.365   0.654
  315    H    LEU  42           HN       LEU  42  -2.426  -0.929   1.516
  316    HA   LEU  42           HA       LEU  42  -3.018  -1.347  -1.302
  317   1HB   LEU  42          HB2       LEU  42  -4.344   0.135   0.951
  318   2HB   LEU  42          HB1       LEU  42  -4.808   0.472  -0.705
  319    HG   LEU  42           HG       LEU  42  -5.515  -1.868  -0.983
  320   1HD1  LEU  42          HD11      LEU  42  -4.612  -3.418   0.320
  321   2HD1  LEU  42          HD12      LEU  42  -5.691  -2.858   1.597
  322   3HD1  LEU  42          HD13      LEU  42  -4.053  -2.215   1.482
  323   1HD2  LEU  42          HD21      LEU  42  -7.439  -0.930  -0.367
  324   2HD2  LEU  42          HD22      LEU  42  -6.673  -0.001   0.922
  325   3HD2  LEU  42          HD23      LEU  42  -7.160  -1.672   1.209
  326    H    CYS  43           HN       CYS  43  -1.924  -0.190  -2.782
  327    HA   CYS  43           HA       CYS  43  -0.799   2.385  -2.000
  328   1HB   CYS  43          HB2       CYS  43  -0.428   0.778  -4.537
  329   2HB   CYS  43          HB1       CYS  43   0.395   2.283  -4.159
  330    H    THR  44           HN       THR  44  -1.562   4.278  -2.697
  331    HA   THR  44           HA       THR  44  -3.737   4.213  -4.682
  332    HB   THR  44           HB       THR  44  -4.340   6.454  -3.343
  333    HG1  THR  44           HG1      THR  44  -2.513   5.813  -1.836
  334   1HG2  THR  44          HG21      THR  44  -5.252   3.702  -3.306
  335   2HG2  THR  44          HG22      THR  44  -6.186   5.197  -3.305
  336   3HG2  THR  44          HG23      THR  44  -5.593   4.527  -1.785
  337    H    LYS  45           HN       LYS  45  -3.784   5.816  -6.223
  338    HA   LYS  45           HA       LYS  45  -1.873   7.976  -6.134
  339   1HB   LYS  45          HB2       LYS  45  -0.770   7.396  -8.246
  340   2HB   LYS  45          HB1       LYS  45  -0.455   6.202  -6.997
  341   1HG   LYS  45          HG2       LYS  45  -2.061   4.692  -7.987
  342   2HG   LYS  45          HG1       LYS  45  -2.496   5.907  -9.192
  343   1HD   LYS  45          HD2       LYS  45   0.372   5.222  -8.998
  344   2HD   LYS  45          HD1       LYS  45  -0.689   3.961  -9.625
  345   1HE   LYS  45          HE2       LYS  45   0.257   5.354 -11.411
  346   2HE   LYS  45          HE1       LYS  45  -1.500   5.448 -11.350
  347   1HZ   LYS  45          HZ1       LYS  45  -1.455   7.616 -10.751
  348   2HZ   LYS  45          HZ2       LYS  45   0.039   7.580 -11.536
  349   3HZ   LYS  45          HZ3       LYS  45  -0.025   7.480  -9.853
  350    H    GLU  46           HN       GLU  46  -1.925   9.209  -8.204
  351    HA   GLU  46           HA       GLU  46  -4.650   9.877  -8.790
  352   1HB   GLU  46          HB2       GLU  46  -3.669  11.703 -10.114
  353   2HB   GLU  46          HB1       GLU  46  -2.974  11.631  -8.502
  354   1HG   GLU  46          HG2       GLU  46  -1.669  10.483 -10.960
  355   2HG   GLU  46          HG1       GLU  46  -1.337  12.088 -10.317
  356    H    CYS  47           HN       CYS  47  -5.644   9.845 -10.791
  357    HA   CYS  47           HA       CYS  47  -4.532   8.912 -13.188
  358   1HB   CYS  47          HB2       CYS  47  -5.599   6.727 -13.379
  359   2HB   CYS  47          HB1       CYS  47  -4.488   6.737 -12.014
  Start of MODEL    2
    1   1H    ALA   1          HT1       ALA   1 -11.809  11.273  -6.498
    2   2H    ALA   1          HT2       ALA   1 -13.423  11.309  -6.994
    3   3H    ALA   1          HT3       ALA   1 -12.272  10.473  -7.916
    4    HA   ALA   1           HA       ALA   1 -13.430   9.757  -5.307
    5   1HB   ALA   1          HB1       ALA   1 -13.316   8.585  -8.037
    6   2HB   ALA   1          HB2       ALA   1 -14.662   8.676  -6.901
    7   3HB   ALA   1          HB3       ALA   1 -13.381   7.488  -6.657
    8    H    THR   2           HN       THR   2 -12.486   7.692  -4.411
    9    HA   THR   2           HA       THR   2  -9.552   7.773  -4.641
   10    HB   THR   2           HB       THR   2 -11.107   6.842  -2.222
   11    HG1  THR   2           HG1      THR   2 -10.059   9.102  -1.593
   12   1HG2  THR   2          HG21      THR   2  -8.398   7.959  -1.964
   13   2HG2  THR   2          HG22      THR   2  -8.491   6.447  -2.867
   14   3HG2  THR   2          HG23      THR   2  -9.109   6.529  -1.218
   15    H    CYS   3           HN       CYS   3  -8.909   6.095  -5.806
   16    HA   CYS   3           HA       CYS   3 -10.421   3.601  -5.716
   17   1HB   CYS   3          HB2       CYS   3  -8.357   4.727  -7.589
   18   2HB   CYS   3          HB1       CYS   3  -8.782   3.017  -7.630
   19    H    LYS   4           HN       LYS   4  -9.740   1.824  -4.739
   20    HA   LYS   4           HA       LYS   4  -6.983   1.780  -3.688
   21   1HB   LYS   4          HB2       LYS   4  -8.752   1.855  -1.932
   22   2HB   LYS   4          HB1       LYS   4  -9.403   0.348  -2.569
   23   1HG   LYS   4          HG2       LYS   4  -6.851  -0.388  -2.210
   24   2HG   LYS   4          HG1       LYS   4  -6.986   0.837  -0.949
   25   1HD   LYS   4          HD2       LYS   4  -7.536  -1.270   0.016
   26   2HD   LYS   4          HD1       LYS   4  -9.028  -0.341  -0.131
   27   1HE   LYS   4          HE2       LYS   4  -9.398  -2.652  -0.802
   28   2HE   LYS   4          HE1       LYS   4  -9.588  -1.573  -2.182
   29   1HZ   LYS   4          HZ1       LYS   4  -7.000  -2.228  -2.372
   30   2HZ   LYS   4          HZ2       LYS   4  -8.236  -3.052  -3.169
   31   3HZ   LYS   4          HZ3       LYS   4  -7.619  -3.660  -1.714
   32    H    ALA   5           HN       ALA   5  -5.733   0.101  -4.139
   33    HA   ALA   5           HA       ALA   5  -6.767  -2.430  -5.022
   34   1HB   ALA   5          HB1       ALA   5  -6.869  -0.987  -7.093
   35   2HB   ALA   5          HB2       ALA   5  -5.891  -2.447  -7.237
   36   3HB   ALA   5          HB3       ALA   5  -5.110  -0.882  -7.011
   37    H    GLU   6           HN       GLU   6  -5.344  -3.980  -4.460
   38    HA   GLU   6           HA       GLU   6  -3.022  -3.246  -3.032
   39   1HB   GLU   6          HB2       GLU   6  -3.906  -5.951  -4.058
   40   2HB   GLU   6          HB1       GLU   6  -2.532  -5.697  -3.009
   41   1HG   GLU   6          HG2       GLU   6  -4.312  -6.408  -1.639
   42   2HG   GLU   6          HG1       GLU   6  -4.074  -4.694  -1.329
   43    H    CYS   7           HN       CYS   7  -0.947  -3.206  -3.597
   44    HA   CYS   7           HA       CYS   7  -0.192  -2.560  -6.173
   45   1HB   CYS   7          HB2       CYS   7   1.164  -2.169  -4.090
   46   2HB   CYS   7          HB1       CYS   7   1.644  -3.861  -4.150
   47    HA   PRO   8           HA       PRO   8  -0.526  -6.392  -8.391
   48   1HB   PRO   8          HB2       PRO   8   1.413  -5.047 -10.200
   49   2HB   PRO   8          HB1       PRO   8  -0.152  -5.779 -10.570
   50   1HG   PRO   8          HG2       PRO   8   0.131  -3.130 -10.493
   51   2HG   PRO   8          HG1       PRO   8  -1.339  -3.912  -9.881
   52   1HD   PRO   8          HD2       PRO   8   0.964  -2.752  -8.372
   53   2HD   PRO   8          HD1       PRO   8  -0.768  -2.731  -7.982
   54    H    THR   9           HN       THR   9   2.659  -4.862  -8.043
   55    HA   THR   9           HA       THR   9   3.978  -7.441  -8.206
   56    HB   THR   9           HB       THR   9   6.071  -6.088  -7.874
   57    HG1  THR   9           HG1      THR   9   4.533  -4.282  -6.945
   58   1HG2  THR   9          HG21      THR   9   4.353  -5.071 -10.135
   59   2HG2  THR   9          HG22      THR   9   5.102  -6.668 -10.118
   60   3HG2  THR   9          HG23      THR   9   6.110  -5.220 -10.101
   61    H    TRP  10           HN       TRP  10   2.329  -7.569  -6.101
   62    HA   TRP  10           HA       TRP  10   4.183  -7.461  -3.826
   63   1HB   TRP  10          HB2       TRP  10   2.519  -5.546  -3.778
   64   2HB   TRP  10          HB1       TRP  10   1.252  -6.756  -3.598
   65    HD1  TRP  10           HD1      TRP  10   0.858  -7.749  -1.217
   66    HE1  TRP  10           HE1      TRP  10   1.908  -7.304   1.105
   67    HE3  TRP  10           HE3      TRP  10   4.800  -4.838  -2.663
   68    HZ2  TRP  10           HZ2      TRP  10   4.122  -5.865   2.167
   69    HZ3  TRP  10           HZ3      TRP  10   6.316  -3.951  -0.944
   70    HH2  TRP  10           HH2      TRP  10   5.983  -4.459   1.417
   71    H    ASP  11           HN       ASP  11   4.467  -9.465  -3.165
   72    HA   ASP  11           HA       ASP  11   2.197 -11.193  -2.658
   73   1HB   ASP  11          HB2       ASP  11   2.957 -11.669  -5.037
   74   2HB   ASP  11          HB1       ASP  11   4.480 -12.231  -4.351
   75    H    SER  12           HN       SER  12   3.285 -10.207  -0.654
   76    HA   SER  12           HA       SER  12   4.836 -12.280   0.599
   77   1HB   SER  12          HB2       SER  12   6.011  -9.498   0.301
   78   2HB   SER  12          HB1       SER  12   6.675 -10.779   1.314
   79    HG   SER  12           HG       SER  12   6.282 -11.692  -1.190
   80    H    VAL  13           HN       VAL  13   5.110 -11.841   2.940
   81    HA   VAL  13           HA       VAL  13   2.713 -10.656   3.999
   82    HB   VAL  13           HB       VAL  13   5.099 -11.802   5.475
   83   1HG1  VAL  13          HG11      VAL  13   2.324 -11.071   6.391
   84   2HG1  VAL  13          HG12      VAL  13   3.859 -10.417   6.962
   85   3HG1  VAL  13          HG13      VAL  13   3.424 -12.088   7.322
   86   1HG2  VAL  13          HG21      VAL  13   4.405 -13.787   4.755
   87   2HG2  VAL  13          HG22      VAL  13   2.989 -13.074   3.982
   88   3HG2  VAL  13          HG23      VAL  13   2.925 -13.540   5.681
   89    H    CYS  14           HN       CYS  14   2.535  -8.571   4.322
   90    HA   CYS  14           HA       CYS  14   4.863  -6.880   4.522
   91   1HB   CYS  14          HB2       CYS  14   3.137  -6.093   3.097
   92   2HB   CYS  14          HB1       CYS  14   1.909  -6.334   4.335
   93    H    ILE  15           HN       ILE  15   5.408  -5.562   6.186
   94    HA   ILE  15           HA       ILE  15   3.956  -5.844   8.725
   95    HB   ILE  15           HB       ILE  15   6.974  -5.855   8.441
   96   1HG1  ILE  15          HG12      ILE  15   5.129  -8.075   9.356
   97   2HG1  ILE  15          HG11      ILE  15   5.894  -7.997   7.772
   98   1HG2  ILE  15          HG21      ILE  15   6.137  -6.653  11.019
   99   2HG2  ILE  15          HG22      ILE  15   5.273  -5.167  10.625
  100   3HG2  ILE  15          HG23      ILE  15   7.035  -5.205  10.562
  101   1HD1  ILE  15          HD11      ILE  15   7.325  -8.199  10.412
  102   2HD1  ILE  15          HD12      ILE  15   8.089  -8.130   8.823
  103   3HD1  ILE  15          HD13      ILE  15   7.077  -9.509   9.257
  104    H    ASN  16           HN       ASN  16   6.701  -4.117   7.262
  105    HA   ASN  16           HA       ASN  16   6.021  -1.654   8.610
  106   1HB   ASN  16          HB2       ASN  16   8.395  -2.460   8.118
  107   2HB   ASN  16          HB1       ASN  16   8.092  -2.032   6.438
  108   1HD2  ASN  16          HD21      ASN  16   9.388  -0.973   9.256
  109   2HD2  ASN  16          HD22      ASN  16   9.333   0.732   8.981
  110    H    LYS  17           HN       LYS  17   5.289   0.248   7.577
  111    HA   LYS  17           HA       LYS  17   3.537  -0.239   5.354
  112   1HB   LYS  17          HB2       LYS  17   4.133   2.436   6.610
  113   2HB   LYS  17          HB1       LYS  17   2.700   1.963   5.709
  114   1HG   LYS  17          HG2       LYS  17   3.487   1.251   8.507
  115   2HG   LYS  17          HG1       LYS  17   1.977   1.940   7.906
  116   1HD   LYS  17          HD2       LYS  17   1.259  -0.126   7.032
  117   2HD   LYS  17          HD1       LYS  17   2.867  -0.836   7.170
  118   1HE   LYS  17          HE2       LYS  17   2.607  -0.487   9.690
  119   2HE   LYS  17          HE1       LYS  17   0.899  -0.210   9.353
  120   1HZ   LYS  17          HZ1       LYS  17   0.956  -2.439   8.191
  121   2HZ   LYS  17          HZ2       LYS  17   1.098  -2.478   9.875
  122   3HZ   LYS  17          HZ3       LYS  17   2.473  -2.686   8.907
  123    H    LYS  18           HN       LYS  18   6.687   1.222   5.751
  124    HA   LYS  18           HA       LYS  18   6.875   2.838   3.524
  125   1HB   LYS  18          HB2       LYS  18   8.619   2.593   5.282
  126   2HB   LYS  18          HB1       LYS  18   9.087   1.060   4.559
  127   1HG   LYS  18          HG2       LYS  18   9.732   2.182   2.513
  128   2HG   LYS  18          HG1       LYS  18   9.176   3.727   3.159
  129   1HD   LYS  18          HD2       LYS  18  11.544   3.668   3.407
  130   2HD   LYS  18          HD1       LYS  18  10.847   3.445   5.011
  131   1HE   LYS  18          HE2       LYS  18  12.656   1.898   4.756
  132   2HE   LYS  18          HE1       LYS  18  11.146   0.990   4.729
  133   1HZ   LYS  18          HZ1       LYS  18  12.323   1.874   2.188
  134   2HZ   LYS  18          HZ2       LYS  18  11.362   0.521   2.511
  135   3HZ   LYS  18          HZ3       LYS  18  12.989   0.531   2.973
  136    HA   PRO  19           HA       PRO  19   8.416  -1.159   0.918
  137   1HB   PRO  19          HB2       PRO  19   6.439  -2.941   2.301
  138   2HB   PRO  19          HB1       PRO  19   7.970  -3.371   1.535
  139   1HG   PRO  19          HG2       PRO  19   7.843  -3.208   4.158
  140   2HG   PRO  19          HG1       PRO  19   9.232  -2.500   3.308
  141   1HD   PRO  19          HD2       PRO  19   6.862  -1.145   4.523
  142   2HD   PRO  19          HD1       PRO  19   8.558  -0.624   4.477
  143    H    CYS  20           HN       CYS  20   5.136  -0.969   2.233
  144    HA   CYS  20           HA       CYS  20   3.789  -1.566  -0.166
  145   1HB   CYS  20          HB2       CYS  20   2.767  -1.749   2.086
  146   2HB   CYS  20          HB1       CYS  20   2.780   0.007   2.216
  147    H    VAL  21           HN       VAL  21   4.401   1.549   1.465
  148    HA   VAL  21           HA       VAL  21   3.194   3.237  -0.387
  149    HB   VAL  21           HB       VAL  21   5.691   3.777   1.248
  150   1HG1  VAL  21          HG11      VAL  21   5.511   6.011   0.788
  151   2HG1  VAL  21          HG12      VAL  21   3.786   5.913   0.436
  152   3HG1  VAL  21          HG13      VAL  21   4.960   5.334  -0.746
  153   1HG2  VAL  21          HG21      VAL  21   4.006   4.927   2.759
  154   2HG2  VAL  21          HG22      VAL  21   3.989   3.164   2.756
  155   3HG2  VAL  21          HG23      VAL  21   2.762   4.059   1.860
  156    H    ALA  22           HN       ALA  22   6.461   1.870  -0.386
  157    HA   ALA  22           HA       ALA  22   7.430   3.282  -2.632
  158   1HB   ALA  22          HB1       ALA  22   8.320   1.109  -0.947
  159   2HB   ALA  22          HB2       ALA  22   9.266   2.293  -1.849
  160   3HB   ALA  22          HB3       ALA  22   8.720   0.814  -2.639
  161    H    CYS  23           HN       CYS  23   5.817   0.151  -2.291
  162    HA   CYS  23           HA       CYS  23   5.916  -0.629  -4.998
  163   1HB   CYS  23          HB2       CYS  23   5.214  -1.935  -2.812
  164   2HB   CYS  23          HB1       CYS  23   3.604  -1.369  -3.235
  165    H    CYS  24           HN       CYS  24   3.525   1.141  -3.110
  166    HA   CYS  24           HA       CYS  24   1.611   1.444  -5.159
  167   1HB   CYS  24          HB2       CYS  24   2.120   3.094  -2.682
  168   2HB   CYS  24          HB1       CYS  24   0.679   3.201  -3.674
  169    H    LYS  25           HN       LYS  25   4.301   3.494  -4.107
  170    HA   LYS  25           HA       LYS  25   3.672   5.706  -5.722
  171   1HB   LYS  25          HB2       LYS  25   5.955   4.821  -4.115
  172   2HB   LYS  25          HB1       LYS  25   6.406   5.818  -5.493
  173   1HG   LYS  25          HG2       LYS  25   5.959   7.010  -3.292
  174   2HG   LYS  25          HG1       LYS  25   5.157   7.647  -4.729
  175   1HD   LYS  25          HD2       LYS  25   3.132   6.329  -4.090
  176   2HD   LYS  25          HD1       LYS  25   3.947   5.902  -2.585
  177   1HE   LYS  25          HE2       LYS  25   3.671   8.771  -3.372
  178   2HE   LYS  25          HE1       LYS  25   2.300   7.923  -2.662
  179   1HZ   LYS  25          HZ1       LYS  25   3.218   7.961  -0.647
  180   2HZ   LYS  25          HZ2       LYS  25   4.240   9.163  -1.269
  181   3HZ   LYS  25          HZ3       LYS  25   4.763   7.558  -1.222
  182    H    LYS  26           HN       LYS  26   5.806   2.915  -6.357
  183    HA   LYS  26           HA       LYS  26   6.554   3.825  -8.945
  184   1HB   LYS  26          HB2       LYS  26   7.362   1.531  -9.334
  185   2HB   LYS  26          HB1       LYS  26   7.916   2.169  -7.793
  186   1HG   LYS  26          HG2       LYS  26   6.371   0.842  -6.589
  187   2HG   LYS  26          HG1       LYS  26   5.519   0.384  -8.063
  188   1HD   LYS  26          HD2       LYS  26   7.482  -0.849  -8.824
  189   2HD   LYS  26          HD1       LYS  26   8.358  -0.367  -7.367
  190   1HE   LYS  26          HE2       LYS  26   6.893  -1.609  -5.974
  191   2HE   LYS  26          HE1       LYS  26   5.760  -1.879  -7.296
  192   1HZ   LYS  26          HZ1       LYS  26   8.031  -3.401  -6.545
  193   2HZ   LYS  26          HZ2       LYS  26   8.156  -2.911  -8.160
  194   3HZ   LYS  26          HZ3       LYS  26   6.797  -3.780  -7.642
  195    H    ALA  27           HN       ALA  27   3.816   2.080  -7.694
  196    HA   ALA  27           HA       ALA  27   2.871   1.187 -10.263
  197   1HB   ALA  27          HB1       ALA  27   0.787   1.198  -8.317
  198   2HB   ALA  27          HB2       ALA  27   2.272   0.614  -7.566
  199   3HB   ALA  27          HB3       ALA  27   1.648  -0.174  -9.015
  200    H    LYS  28           HN       LYS  28   3.147   4.164  -9.110
  201    HA   LYS  28           HA       LYS  28   2.311   6.180  -9.685
  202   1HB   LYS  28          HB2       LYS  28   2.068   4.949 -11.926
  203   2HB   LYS  28          HB1       LYS  28   0.360   4.832 -11.535
  204   1HG   LYS  28          HG2       LYS  28   0.162   7.235 -11.487
  205   2HG   LYS  28          HG1       LYS  28   1.901   7.412 -11.739
  206   1HD   LYS  28          HD2       LYS  28  -0.043   6.139 -13.668
  207   2HD   LYS  28          HD1       LYS  28   0.649   7.755 -13.819
  208   1HE   LYS  28          HE2       LYS  28   2.874   6.818 -14.022
  209   2HE   LYS  28          HE1       LYS  28   2.243   5.194 -13.759
  210   1HZ   LYS  28          HZ1       LYS  28   2.662   6.233 -16.166
  211   2HZ   LYS  28          HZ2       LYS  28   1.045   6.680 -15.947
  212   3HZ   LYS  28          HZ3       LYS  28   1.490   5.051 -15.859
  213    H    PHE  29           HN       PHE  29   1.292   4.921  -7.413
  214    HA   PHE  29           HA       PHE  29  -1.513   5.819  -7.377
  215   1HB   PHE  29          HB2       PHE  29  -0.037   3.792  -5.721
  216   2HB   PHE  29          HB1       PHE  29  -1.492   4.549  -5.094
  217    HD1  PHE  29           HD1      PHE  29  -0.222   2.658  -8.039
  218    HD2  PHE  29           HD2      PHE  29  -3.573   3.652  -5.609
  219    HE1  PHE  29           HE1      PHE  29  -1.591   1.018  -9.257
  220    HE2  PHE  29           HE2      PHE  29  -4.943   2.010  -6.821
  221    HZ   PHE  29           HZ       PHE  29  -3.953   0.690  -8.648
  222    H    SER  30           HN       SER  30  -2.187   7.224  -5.719
  223    HA   SER  30           HA       SER  30  -0.482   9.318  -5.108
  224   1HB   SER  30          HB2       SER  30  -2.857   8.640  -3.389
  225   2HB   SER  30          HB1       SER  30  -2.265  10.229  -3.879
  226    HG   SER  30           HG       SER  30  -3.287  10.063  -5.746
  227    H    ASP  31           HN       ASP  31  -1.389   6.526  -3.161
  228    HA   ASP  31           HA       ASP  31   1.042   6.443  -1.747
  229   1HB   ASP  31          HB2       ASP  31  -0.315   8.436  -0.654
  230   2HB   ASP  31          HB1       ASP  31  -1.160   7.117   0.158
  231    H    GLY  32           HN       GLY  32   0.843   4.838   0.120
  232   1HA   GLY  32          HA2       GLY  32  -1.331   2.921  -0.391
  233   2HA   GLY  32          HA1       GLY  32   0.333   2.383  -0.562
  234    H    HIS  33           HN       HIS  33  -1.685   1.391   1.206
  235    HA   HIS  33           HA       HIS  33  -0.251   1.806   3.736
  236   1HB   HIS  33          HB2       HIS  33  -2.394   1.801   4.964
  237   2HB   HIS  33          HB1       HIS  33  -2.257   3.173   3.878
  238    HD1  HIS  33           HD1      HIS  33  -4.254   0.105   4.515
  239    HD2  HIS  33           HD2      HIS  33  -4.032   3.091   1.637
  240    HE1  HIS  33           HE1      HIS  33  -6.331  -0.138   3.123
  241    H    CYS  34           HN       CYS  34   0.289   0.057   4.671
  242    HA   CYS  34           HA       CYS  34  -0.161  -2.501   3.539
  243   1HB   CYS  34          HB2       CYS  34   1.905  -1.860   4.693
  244   2HB   CYS  34          HB1       CYS  34   1.016  -1.666   6.196
  245    H    SER  35           HN       SER  35  -1.793  -3.902   3.916
  246    HA   SER  35           HA       SER  35  -3.822  -3.189   5.824
  247   1HB   SER  35          HB2       SER  35  -5.034  -5.173   4.952
  248   2HB   SER  35          HB1       SER  35  -4.536  -4.062   3.679
  249    HG   SER  35           HG       SER  35  -2.819  -5.444   3.198
  250    H    LYS  36           HN       LYS  36  -4.545  -4.452   7.552
  251    HA   LYS  36           HA       LYS  36  -2.431  -5.905   8.903
  252   1HB   LYS  36          HB2       LYS  36  -3.597  -4.291  10.226
  253   2HB   LYS  36          HB1       LYS  36  -5.161  -4.923   9.737
  254   1HG   LYS  36          HG2       LYS  36  -4.688  -6.995  10.970
  255   2HG   LYS  36          HG1       LYS  36  -3.154  -6.303  11.506
  256   1HD   LYS  36          HD2       LYS  36  -4.348  -4.500  12.636
  257   2HD   LYS  36          HD1       LYS  36  -5.887  -5.148  12.066
  258   1HE   LYS  36          HE2       LYS  36  -5.468  -7.215  13.323
  259   2HE   LYS  36          HE1       LYS  36  -3.947  -6.541  13.909
  260   1HZ   LYS  36          HZ1       LYS  36  -6.697  -5.846  14.650
  261   2HZ   LYS  36          HZ2       LYS  36  -5.522  -4.631  14.707
  262   3HZ   LYS  36          HZ3       LYS  36  -5.332  -6.034  15.632
  263    H    ILE  37           HN       ILE  37  -5.431  -6.521   7.284
  264    HA   ILE  37           HA       ILE  37  -6.056  -9.029   8.375
  265    HB   ILE  37           HB       ILE  37  -6.721  -8.032   5.609
  266   1HG1  ILE  37          HG12      ILE  37  -8.263  -7.702   8.192
  267   2HG1  ILE  37          HG11      ILE  37  -7.361  -6.425   7.383
  268   1HG2  ILE  37          HG21      ILE  37  -7.256 -10.490   6.907
  269   2HG2  ILE  37          HG22      ILE  37  -7.852  -9.928   5.345
  270   3HG2  ILE  37          HG23      ILE  37  -8.775  -9.599   6.811
  271   1HD1  ILE  37          HD11      ILE  37  -8.896  -6.247   5.673
  272   2HD1  ILE  37          HD12      ILE  37  -9.921  -6.590   7.067
  273   3HD1  ILE  37          HD13      ILE  37  -9.524  -7.876   5.926
  274    H    LEU  38           HN       LEU  38  -5.209  -8.773   4.936
  275    HA   LEU  38           HA       LEU  38  -3.853 -11.341   5.157
  276   1HB   LEU  38          HB2       LEU  38  -5.598 -10.816   3.405
  277   2HB   LEU  38          HB1       LEU  38  -4.410  -9.776   2.651
  278    HG   LEU  38           HG       LEU  38  -2.917 -11.677   2.330
  279   1HD1  LEU  38          HD11      LEU  38  -5.017 -13.648   2.995
  280   2HD1  LEU  38          HD12      LEU  38  -4.185 -12.888   4.352
  281   3HD1  LEU  38          HD13      LEU  38  -3.263 -13.766   3.131
  282   1HD2  LEU  38          HD21      LEU  38  -4.521 -13.009   0.781
  283   2HD2  LEU  38          HD22      LEU  38  -4.197 -11.310   0.436
  284   3HD2  LEU  38          HD23      LEU  38  -5.699 -11.777   1.234
  285    H    ARG  39           HN       ARG  39  -2.869  -8.317   5.552
  286    HA   ARG  39           HA       ARG  39  -0.879  -7.236   5.536
  287   1HB   ARG  39          HB2       ARG  39   0.042 -10.065   5.153
  288   2HB   ARG  39          HB1       ARG  39   1.194  -8.742   5.072
  289   1HG   ARG  39          HG2       ARG  39   1.283  -9.567   7.268
  290   2HG   ARG  39          HG1       ARG  39   0.389  -8.050   7.351
  291   1HD   ARG  39          HD2       ARG  39  -1.697  -9.214   7.525
  292   2HD   ARG  39          HD1       ARG  39  -0.919 -10.762   7.196
  293    HE   ARG  39           HE       ARG  39   0.266  -9.628   9.465
  294   1HH1  ARG  39          HH11      ARG  39  -2.826 -10.955   8.491
  295   2HH1  ARG  39          HH12      ARG  39  -3.205 -11.560  10.070
  296   1HH2  ARG  39          HH21      ARG  39  -0.236 -10.417  11.552
  297   2HH2  ARG  39          HH22      ARG  39  -1.729 -11.251  11.816
  298    H    ARG  40           HN       ARG  40  -2.462  -7.488   3.085
  299    HA   ARG  40           HA       ARG  40  -0.448  -7.501   0.983
  300   1HB   ARG  40          HB2       ARG  40  -3.433  -7.042   0.857
  301   2HB   ARG  40          HB1       ARG  40  -2.367  -7.047  -0.540
  302   1HG   ARG  40          HG2       ARG  40  -1.711  -9.404   0.196
  303   2HG   ARG  40          HG1       ARG  40  -3.133  -9.331   1.239
  304   1HD   ARG  40          HD2       ARG  40  -3.058  -9.058  -1.763
  305   2HD   ARG  40          HD1       ARG  40  -3.734 -10.395  -0.836
  306    HE   ARG  40           HE       ARG  40  -5.019  -8.007  -0.088
  307   1HH1  ARG  40          HH11      ARG  40  -4.808 -10.232  -2.774
  308   2HH1  ARG  40          HH12      ARG  40  -6.368  -9.827  -3.407
  309   1HH2  ARG  40          HH21      ARG  40  -7.082  -7.444  -0.930
  310   2HH2  ARG  40          HH22      ARG  40  -7.664  -8.237  -2.355
  311    H    CYS  41           HN       CYS  41  -0.048  -5.688  -0.356
  312    HA   CYS  41           HA       CYS  41  -0.068  -3.205   1.104
  313   1HB   CYS  41          HB2       CYS  41   1.930  -3.810  -0.123
  314   2HB   CYS  41          HB1       CYS  41   1.012  -3.948  -1.620
  315    H    LEU  42           HN       LEU  42  -2.065  -2.259   1.153
  316    HA   LEU  42           HA       LEU  42  -3.682  -2.192  -1.259
  317   1HB   LEU  42          HB2       LEU  42  -4.075  -1.339   1.588
  318   2HB   LEU  42          HB1       LEU  42  -5.123  -0.671   0.349
  319    HG   LEU  42           HG       LEU  42  -5.897  -2.932  -0.223
  320   1HD1  LEU  42          HD11      LEU  42  -4.871  -4.799   0.400
  321   2HD1  LEU  42          HD12      LEU  42  -4.847  -4.301   2.092
  322   3HD1  LEU  42          HD13      LEU  42  -3.560  -3.785   1.002
  323   1HD2  LEU  42          HD21      LEU  42  -7.054  -3.442   1.918
  324   2HD2  LEU  42          HD22      LEU  42  -7.165  -1.751   1.428
  325   3HD2  LEU  42          HD23      LEU  42  -6.041  -2.228   2.701
  326    H    CYS  43           HN       CYS  43  -3.247  -0.731  -2.767
  327    HA   CYS  43           HA       CYS  43  -2.030   1.806  -1.989
  328   1HB   CYS  43          HB2       CYS  43  -2.435   0.607  -4.737
  329   2HB   CYS  43          HB1       CYS  43  -1.547   2.079  -4.374
  330    H    THR  44           HN       THR  44  -2.954   3.759  -2.391
  331    HA   THR  44           HA       THR  44  -5.697   3.732  -3.457
  332    HB   THR  44           HB       THR  44  -5.989   5.760  -1.833
  333    HG1  THR  44           HG1      THR  44  -3.641   5.445  -1.194
  334   1HG2  THR  44          HG21      THR  44  -5.934   3.218  -0.306
  335   2HG2  THR  44          HG22      THR  44  -6.898   3.244  -1.783
  336   3HG2  THR  44          HG23      THR  44  -7.230   4.400  -0.492
  337    H    LYS  45           HN       LYS  45  -6.219   5.362  -4.846
  338    HA   LYS  45           HA       LYS  45  -4.434   7.624  -5.155
  339   1HB   LYS  45          HB2       LYS  45  -3.933   7.287  -7.470
  340   2HB   LYS  45          HB1       LYS  45  -3.451   5.837  -6.605
  341   1HG   LYS  45          HG2       LYS  45  -5.371   4.649  -7.389
  342   2HG   LYS  45          HG1       LYS  45  -6.047   6.115  -8.099
  343   1HD   LYS  45          HD2       LYS  45  -3.405   4.934  -8.939
  344   2HD   LYS  45          HD1       LYS  45  -4.933   4.520  -9.713
  345   1HE   LYS  45          HE2       LYS  45  -4.083   6.200 -11.078
  346   2HE   LYS  45          HE1       LYS  45  -5.215   7.058 -10.039
  347   1HZ   LYS  45          HZ1       LYS  45  -2.422   6.914  -9.171
  348   2HZ   LYS  45          HZ2       LYS  45  -3.555   8.169  -8.980
  349   3HZ   LYS  45          HZ3       LYS  45  -2.791   7.933 -10.468
  350    H    GLU  46           HN       GLU  46  -5.243   9.096  -6.874
  351    HA   GLU  46           HA       GLU  46  -8.043   9.538  -6.443
  352   1HB   GLU  46          HB2       GLU  46  -7.680  11.609  -7.727
  353   2HB   GLU  46          HB1       GLU  46  -6.498  11.423  -6.440
  354   1HG   GLU  46          HG2       GLU  46  -5.979  10.746  -9.328
  355   2HG   GLU  46          HG1       GLU  46  -5.568  12.285  -8.577
  356    H    CYS  47           HN       CYS  47  -9.678   9.482  -7.919
  357    HA   CYS  47           HA       CYS  47  -9.247   8.868 -10.683
  358   1HB   CYS  47          HB2       CYS  47 -10.531   6.726 -10.623
  359   2HB   CYS  47          HB1       CYS  47  -8.964   6.623  -9.829
  Start of MODEL    3
    1   1H    ALA   1          HT1       ALA   1  -6.276  11.433 -11.279
    2   2H    ALA   1          HT2       ALA   1  -7.367  11.662 -12.552
    3   3H    ALA   1          HT3       ALA   1  -6.728  10.122 -12.264
    4    HA   ALA   1           HA       ALA   1  -8.639  11.630 -10.571
    5   1HB   ALA   1          HB1       ALA   1 -10.087  10.564 -11.907
    6   2HB   ALA   1          HB2       ALA   1  -9.642   9.119 -10.998
    7   3HB   ALA   1          HB3       ALA   1  -8.848   9.474 -12.532
    8    H    THR   2           HN       THR   2  -9.537   9.245  -9.274
    9    HA   THR   2           HA       THR   2  -7.373   8.981  -7.351
   10    HB   THR   2           HB       THR   2 -10.103   7.703  -7.175
   11    HG1  THR   2           HG1      THR   2  -9.641  10.094  -5.835
   12   1HG2  THR   2          HG21      THR   2  -7.925   7.377  -5.582
   13   2HG2  THR   2          HG22      THR   2  -9.591   7.227  -5.022
   14   3HG2  THR   2          HG23      THR   2  -8.715   8.740  -4.790
   15    H    CYS   3           HN       CYS   3  -5.982   7.329  -7.387
   16    HA   CYS   3           HA       CYS   3  -6.853   4.809  -8.632
   17   1HB   CYS   3          HB2       CYS   3  -4.157   6.149  -8.949
   18   2HB   CYS   3          HB1       CYS   3  -4.598   4.573  -9.603
   19    H    LYS   4           HN       LYS   4  -6.367   2.980  -7.587
   20    HA   LYS   4           HA       LYS   4  -4.419   3.013  -5.387
   21   1HB   LYS   4          HB2       LYS   4  -6.644   3.379  -4.361
   22   2HB   LYS   4          HB1       LYS   4  -7.233   1.915  -5.141
   23   1HG   LYS   4          HG2       LYS   4  -5.087   0.916  -3.877
   24   2HG   LYS   4          HG1       LYS   4  -5.490   2.239  -2.782
   25   1HD   LYS   4          HD2       LYS   4  -6.615   0.280  -2.020
   26   2HD   LYS   4          HD1       LYS   4  -7.824   1.365  -2.707
   27   1HE   LYS   4          HE2       LYS   4  -8.261  -0.915  -3.414
   28   2HE   LYS   4          HE1       LYS   4  -7.782   0.064  -4.798
   29   1HZ   LYS   4          HZ1       LYS   4  -5.430  -0.887  -4.174
   30   2HZ   LYS   4          HZ2       LYS   4  -6.499  -1.780  -5.124
   31   3HZ   LYS   4          HZ3       LYS   4  -6.339  -2.134  -3.476
   32    H    ALA   5           HN       ALA   5  -3.318   1.184  -5.168
   33    HA   ALA   5           HA       ALA   5  -4.201  -1.337  -6.198
   34   1HB   ALA   5          HB1       ALA   5  -1.904  -1.336  -7.609
   35   2HB   ALA   5          HB2       ALA   5  -2.379   0.352  -7.805
   36   3HB   ALA   5          HB3       ALA   5  -3.471  -0.936  -8.312
   37    H    GLU   6           HN       GLU   6  -3.246  -2.900  -5.015
   38    HA   GLU   6           HA       GLU   6  -1.562  -2.177  -2.877
   39   1HB   GLU   6          HB2       GLU   6  -2.151  -4.933  -3.999
   40   2HB   GLU   6          HB1       GLU   6  -1.332  -4.618  -2.488
   41   1HG   GLU   6          HG2       GLU   6  -3.612  -5.196  -2.041
   42   2HG   GLU   6          HG1       GLU   6  -3.337  -3.512  -1.619
   43    H    CYS   7           HN       CYS   7   0.585  -2.305  -2.627
   44    HA   CYS   7           HA       CYS   7   2.277  -1.843  -4.733
   45   1HB   CYS   7          HB2       CYS   7   2.807  -1.514  -2.298
   46   2HB   CYS   7          HB1       CYS   7   3.116  -3.243  -2.186
   47    HA   PRO   8           HA       PRO   8   2.326  -5.689  -6.977
   48   1HB   PRO   8          HB2       PRO   8   4.710  -5.085  -8.309
   49   2HB   PRO   8          HB1       PRO   8   3.083  -4.683  -8.863
   50   1HG   PRO   8          HG2       PRO   8   5.074  -2.985  -7.431
   51   2HG   PRO   8          HG1       PRO   8   3.922  -2.538  -8.703
   52   1HD   PRO   8          HD2       PRO   8   3.477  -1.896  -6.146
   53   2HD   PRO   8          HD1       PRO   8   2.144  -2.392  -7.211
   54    H    THR   9           HN       THR   9   5.143  -4.421  -5.315
   55    HA   THR   9           HA       THR   9   6.244  -7.114  -5.049
   56    HB   THR   9           HB       THR   9   8.111  -5.605  -3.867
   57    HG1  THR   9           HG1      THR   9   7.081  -3.860  -5.868
   58   1HG2  THR   9          HG21      THR   9   8.500  -7.059  -5.776
   59   2HG2  THR   9          HG22      THR   9   9.255  -5.489  -6.048
   60   3HG2  THR   9          HG23      THR   9   7.736  -5.887  -6.850
   61    H    TRP  10           HN       TRP  10   3.944  -6.813  -3.696
   62    HA   TRP  10           HA       TRP  10   4.775  -7.179  -0.958
   63   1HB   TRP  10          HB2       TRP  10   4.339  -4.699  -1.186
   64   2HB   TRP  10          HB1       TRP  10   2.669  -5.095  -1.575
   65    HD1  TRP  10           HD1      TRP  10   1.340  -6.534   0.462
   66    HE1  TRP  10           HE1      TRP  10   1.497  -6.153   3.015
   67    HE3  TRP  10           HE3      TRP  10   5.729  -3.923   0.618
   68    HZ2  TRP  10           HZ2      TRP  10   3.265  -4.878   4.845
   69    HZ3  TRP  10           HZ3      TRP  10   6.576  -3.154   2.792
   70    HH2  TRP  10           HH2      TRP  10   5.369  -3.625   4.858
   71    H    ASP  11           HN       ASP  11   3.561  -8.713  -0.046
   72    HA   ASP  11           HA       ASP  11   0.846  -9.215  -0.967
   73   1HB   ASP  11          HB2       ASP  11   1.302 -11.633  -1.295
   74   2HB   ASP  11          HB1       ASP  11   2.164 -10.624  -2.451
   75    H    SER  12           HN       SER  12   3.337  -9.426   1.337
   76    HA   SER  12           HA       SER  12   2.042 -11.184   3.162
   77   1HB   SER  12          HB2       SER  12   4.339  -9.288   3.657
   78   2HB   SER  12          HB1       SER  12   3.904 -10.699   4.622
   79    HG   SER  12           HG       SER  12   4.200 -11.405   2.028
   80    H    VAL  13           HN       VAL  13   2.050 -10.326   5.555
   81    HA   VAL  13           HA       VAL  13  -0.094  -8.425   5.706
   82    HB   VAL  13           HB       VAL  13   1.412  -9.881   7.890
   83   1HG1  VAL  13          HG11      VAL  13  -0.228  -7.680   8.181
   84   2HG1  VAL  13          HG12      VAL  13   0.181  -8.851   9.435
   85   3HG1  VAL  13          HG13      VAL  13  -1.300  -9.044   8.498
   86   1HG2  VAL  13          HG21      VAL  13   0.349 -11.638   6.973
   87   2HG2  VAL  13          HG22      VAL  13  -0.811 -10.624   6.116
   88   3HG2  VAL  13          HG23      VAL  13  -1.053 -10.990   7.824
   89    H    CYS  14           HN       CYS  14   0.003  -6.351   6.269
   90    HA   CYS  14           HA       CYS  14   2.440  -4.930   6.320
   91   1HB   CYS  14          HB2       CYS  14  -0.325  -4.331   6.187
   92   2HB   CYS  14          HB1       CYS  14   0.326  -3.430   7.549
   93    H    ILE  15           HN       ILE  15   3.726  -4.341   7.948
   94    HA   ILE  15           HA       ILE  15   2.994  -5.154  10.666
   95    HB   ILE  15           HB       ILE  15   5.696  -4.267   9.625
   96   1HG1  ILE  15          HG12      ILE  15   4.672  -7.075  10.111
   97   2HG1  ILE  15          HG11      ILE  15   4.884  -6.341   8.525
   98   1HG2  ILE  15          HG21      ILE  15   4.849  -4.388  12.211
   99   2HG2  ILE  15          HG22      ILE  15   6.525  -4.566  11.690
  100   3HG2  ILE  15          HG23      ILE  15   5.538  -5.997  11.986
  101   1HD1  ILE  15          HD11      ILE  15   6.707  -7.881   9.201
  102   2HD1  ILE  15          HD12      ILE  15   7.116  -6.755  10.496
  103   3HD1  ILE  15          HD13      ILE  15   7.251  -6.249   8.812
  104    H    ASN  16           HN       ASN  16   3.658  -2.414   8.666
  105    HA   ASN  16           HA       ASN  16   2.574  -0.576  10.539
  106   1HB   ASN  16          HB2       ASN  16   4.918  -0.919  11.435
  107   2HB   ASN  16          HB1       ASN  16   5.524  -0.239   9.931
  108   1HD2  ASN  16          HD21      ASN  16   3.927   0.396  12.929
  109   2HD2  ASN  16          HD22      ASN  16   4.013   2.122  12.856
  110    H    LYS  17           HN       LYS  17   2.522   1.647   9.575
  111    HA   LYS  17           HA       LYS  17   1.814   1.516   6.860
  112   1HB   LYS  17          HB2       LYS  17   0.969   3.178   8.578
  113   2HB   LYS  17          HB1       LYS  17   2.476   4.055   8.349
  114   1HG   LYS  17          HG2       LYS  17   1.926   4.272   5.938
  115   2HG   LYS  17          HG1       LYS  17   0.367   3.515   6.266
  116   1HD   LYS  17          HD2       LYS  17  -0.071   5.348   7.921
  117   2HD   LYS  17          HD1       LYS  17   1.398   6.135   7.345
  118   1HE   LYS  17          HE2       LYS  17  -1.046   5.477   5.700
  119   2HE   LYS  17          HE1       LYS  17  -0.564   7.078   6.257
  120   1HZ   LYS  17          HZ1       LYS  17   1.541   6.698   4.937
  121   2HZ   LYS  17          HZ2       LYS  17   0.130   6.932   4.031
  122   3HZ   LYS  17          HZ3       LYS  17   0.762   5.373   4.230
  123    H    LYS  18           HN       LYS  18   4.788   2.596   8.442
  124    HA   LYS  18           HA       LYS  18   6.027   3.907   6.356
  125   1HB   LYS  18          HB2       LYS  18   7.249   2.187   8.508
  126   2HB   LYS  18          HB1       LYS  18   8.205   3.144   7.385
  127   1HG   LYS  18          HG2       LYS  18   7.028   5.172   8.181
  128   2HG   LYS  18          HG1       LYS  18   6.196   4.176   9.376
  129   1HD   LYS  18          HD2       LYS  18   9.194   4.422   9.164
  130   2HD   LYS  18          HD1       LYS  18   8.197   5.382  10.257
  131   1HE   LYS  18          HE2       LYS  18   8.345   2.369  10.247
  132   2HE   LYS  18          HE1       LYS  18   9.234   3.419  11.350
  133   1HZ   LYS  18          HZ1       LYS  18   6.309   2.986  11.189
  134   2HZ   LYS  18          HZ2       LYS  18   6.972   4.323  11.991
  135   3HZ   LYS  18          HZ3       LYS  18   7.338   2.757  12.516
  136    HA   PRO  19           HA       PRO  19   8.006  -0.430   4.849
  137   1HB   PRO  19          HB2       PRO  19   5.553  -1.959   5.657
  138   2HB   PRO  19          HB1       PRO  19   7.213  -2.538   5.491
  139   1HG   PRO  19          HG2       PRO  19   6.250  -2.055   7.892
  140   2HG   PRO  19          HG1       PRO  19   7.890  -1.510   7.487
  141   1HD   PRO  19          HD2       PRO  19   5.366   0.073   7.709
  142   2HD   PRO  19          HD1       PRO  19   7.022   0.521   8.164
  143    H    CYS  20           HN       CYS  20   4.488   0.001   4.940
  144    HA   CYS  20           HA       CYS  20   3.978  -0.811   2.294
  145   1HB   CYS  20          HB2       CYS  20   2.242  -0.712   4.038
  146   2HB   CYS  20          HB1       CYS  20   2.373   1.043   4.071
  147    H    VAL  21           HN       VAL  21   4.282   2.443   3.728
  148    HA   VAL  21           HA       VAL  21   3.906   3.931   1.398
  149    HB   VAL  21           HB       VAL  21   5.708   4.612   3.737
  150   1HG1  VAL  21          HG11      VAL  21   4.368   6.586   1.920
  151   2HG1  VAL  21          HG12      VAL  21   5.956   5.922   1.539
  152   3HG1  VAL  21          HG13      VAL  21   5.717   6.836   3.028
  153   1HG2  VAL  21          HG21      VAL  21   3.898   5.493   4.843
  154   2HG2  VAL  21          HG22      VAL  21   3.161   4.101   4.051
  155   3HG2  VAL  21          HG23      VAL  21   2.964   5.714   3.364
  156    H    ALA  22           HN       ALA  22   6.899   2.577   2.765
  157    HA   ALA  22           HA       ALA  22   8.688   3.630   0.876
  158   1HB   ALA  22          HB1       ALA  22  10.268   2.270   1.818
  159   2HB   ALA  22          HB2       ALA  22   9.166   0.899   1.954
  160   3HB   ALA  22          HB3       ALA  22   9.053   2.239   3.096
  161    H    CYS  23           HN       CYS  23   6.818   0.631   0.893
  162    HA   CYS  23           HA       CYS  23   7.798  -0.478  -1.496
  163   1HB   CYS  23          HB2       CYS  23   6.231  -1.487   0.341
  164   2HB   CYS  23          HB1       CYS  23   4.934  -0.791  -0.621
  165    H    CYS  24           HN       CYS  24   5.049   1.617  -0.807
  166    HA   CYS  24           HA       CYS  24   4.126   1.881  -3.462
  167   1HB   CYS  24          HB2       CYS  24   3.757   3.683  -1.066
  168   2HB   CYS  24          HB1       CYS  24   2.834   3.793  -2.555
  169    H    LYS  25           HN       LYS  25   6.561   3.608  -1.606
  170    HA   LYS  25           HA       LYS  25   6.780   5.883  -3.248
  171   1HB   LYS  25          HB2       LYS  25   8.818   4.499  -1.502
  172   2HB   LYS  25          HB1       LYS  25   9.159   5.990  -2.361
  173   1HG   LYS  25          HG2       LYS  25   7.025   5.624  -0.266
  174   2HG   LYS  25          HG1       LYS  25   8.598   6.378  -0.015
  175   1HD   LYS  25          HD2       LYS  25   7.308   8.239  -0.353
  176   2HD   LYS  25          HD1       LYS  25   7.808   7.907  -2.012
  177   1HE   LYS  25          HE2       LYS  25   5.693   6.649  -2.338
  178   2HE   LYS  25          HE1       LYS  25   5.193   7.141  -0.720
  179   1HZ   LYS  25          HZ1       LYS  25   4.434   9.020  -1.570
  180   2HZ   LYS  25          HZ2       LYS  25   4.928   8.547  -3.120
  181   3HZ   LYS  25          HZ3       LYS  25   5.983   9.425  -2.128
  182    H    LYS  26           HN       LYS  26   8.639   2.839  -3.264
  183    HA   LYS  26           HA       LYS  26  10.079   3.535  -5.615
  184   1HB   LYS  26          HB2       LYS  26  11.003   1.357  -5.567
  185   2HB   LYS  26          HB1       LYS  26  10.818   1.847  -3.892
  186   1HG   LYS  26          HG2       LYS  26   8.738   0.507  -3.780
  187   2HG   LYS  26          HG1       LYS  26   9.059  -0.055  -5.423
  188   1HD   LYS  26          HD2       LYS  26  11.328  -0.814  -4.542
  189   2HD   LYS  26          HD1       LYS  26  10.663  -0.556  -2.929
  190   1HE   LYS  26          HE2       LYS  26   9.607  -2.427  -5.044
  191   2HE   LYS  26          HE1       LYS  26  10.430  -2.879  -3.553
  192   1HZ   LYS  26          HZ1       LYS  26   8.599  -2.436  -2.301
  193   2HZ   LYS  26          HZ2       LYS  26   7.832  -2.899  -3.737
  194   3HZ   LYS  26          HZ3       LYS  26   7.999  -1.257  -3.357
  195    H    ALA  27           HN       ALA  27   6.975   2.137  -5.030
  196    HA   ALA  27           HA       ALA  27   6.635   1.047  -7.673
  197   1HB   ALA  27          HB1       ALA  27   4.107   1.334  -6.597
  198   2HB   ALA  27          HB2       ALA  27   5.137   1.088  -5.187
  199   3HB   ALA  27          HB3       ALA  27   5.131  -0.098  -6.492
  200    H    LYS  28           HN       LYS  28   6.796   4.116  -6.540
  201    HA   LYS  28           HA       LYS  28   6.368   6.151  -7.408
  202   1HB   LYS  28          HB2       LYS  28   6.922   4.902  -9.563
  203   2HB   LYS  28          HB1       LYS  28   5.189   4.816  -9.837
  204   1HG   LYS  28          HG2       LYS  28   5.013   7.183  -9.986
  205   2HG   LYS  28          HG1       LYS  28   6.673   7.399  -9.426
  206   1HD   LYS  28          HD2       LYS  28   5.852   6.052 -12.001
  207   2HD   LYS  28          HD1       LYS  28   6.473   7.698 -11.860
  208   1HE   LYS  28          HE2       LYS  28   8.576   6.842 -10.972
  209   2HE   LYS  28          HE1       LYS  28   7.955   5.195 -11.057
  210   1HZ   LYS  28          HZ1       LYS  28   8.294   5.090 -13.262
  211   2HZ   LYS  28          HZ2       LYS  28   9.411   6.326 -12.974
  212   3HZ   LYS  28          HZ3       LYS  28   7.861   6.704 -13.534
  213    H    PHE  29           HN       PHE  29   4.685   5.568  -5.571
  214    HA   PHE  29           HA       PHE  29   2.051   6.429  -6.574
  215   1HB   PHE  29          HB2       PHE  29   2.692   4.388  -4.452
  216   2HB   PHE  29          HB1       PHE  29   1.161   5.252  -4.434
  217    HD1  PHE  29           HD1      PHE  29   3.290   3.110  -6.607
  218    HD2  PHE  29           HD2      PHE  29  -0.631   4.474  -5.679
  219    HE1  PHE  29           HE1      PHE  29   2.350   1.475  -8.186
  220    HE2  PHE  29           HE2      PHE  29  -1.577   2.841  -7.254
  221    HZ   PHE  29           HZ       PHE  29  -0.086   1.337  -8.510
  222    H    SER  30           HN       SER  30   0.870   7.834  -5.116
  223    HA   SER  30           HA       SER  30   2.473   9.818  -3.958
  224   1HB   SER  30          HB2       SER  30  -0.473   9.321  -3.491
  225   2HB   SER  30          HB1       SER  30   0.387  10.839  -3.230
  226    HG   SER  30           HG       SER  30  -0.199  11.206  -5.225
  227    H    ASP  31           HN       ASP  31   0.411   7.366  -2.409
  228    HA   ASP  31           HA       ASP  31   2.225   7.154  -0.192
  229   1HB   ASP  31          HB2       ASP  31   1.007   9.156   0.524
  230   2HB   ASP  31          HB1       ASP  31  -0.527   8.315   0.310
  231    H    GLY  32           HN       GLY  32   1.798   5.359   1.125
  232   1HA   GLY  32          HA2       GLY  32  -0.221   3.522  -0.007
  233   2HA   GLY  32          HA1       GLY  32   1.324   3.002   0.656
  234    H    HIS  33           HN       HIS  33  -1.506   2.351   1.326
  235    HA   HIS  33           HA       HIS  33  -1.235   2.804   4.208
  236   1HB   HIS  33          HB2       HIS  33  -3.655   3.216   4.411
  237   2HB   HIS  33          HB1       HIS  33  -2.854   4.444   3.449
  238    HD1  HIS  33           HD1      HIS  33  -5.402   1.743   3.259
  239    HD2  HIS  33           HD2      HIS  33  -3.549   4.417   0.679
  240    HE1  HIS  33           HE1      HIS  33  -6.737   1.670   1.132
  241    H    CYS  34           HN       CYS  34  -1.465   1.052   5.351
  242    HA   CYS  34           HA       CYS  34  -1.846  -1.475   4.110
  243   1HB   CYS  34          HB2       CYS  34  -1.856  -0.835   7.066
  244   2HB   CYS  34          HB1       CYS  34  -1.534  -2.399   6.325
  245    H    SER  35           HN       SER  35  -3.665  -2.619   3.818
  246    HA   SER  35           HA       SER  35  -6.181  -1.456   4.521
  247   1HB   SER  35          HB2       SER  35  -7.116  -3.562   3.478
  248   2HB   SER  35          HB1       SER  35  -6.076  -2.600   2.428
  249    HG   SER  35           HG       SER  35  -4.535  -4.091   2.539
  250    H    LYS  36           HN       LYS  36  -7.900  -2.723   5.635
  251    HA   LYS  36           HA       LYS  36  -6.832  -3.806   8.109
  252   1HB   LYS  36          HB2       LYS  36  -8.582  -2.152   8.315
  253   2HB   LYS  36          HB1       LYS  36  -9.642  -3.079   7.262
  254   1HG   LYS  36          HG2       LYS  36  -9.783  -4.847   8.912
  255   2HG   LYS  36          HG1       LYS  36  -8.666  -3.977   9.965
  256   1HD   LYS  36          HD2       LYS  36 -10.901  -3.601  10.756
  257   2HD   LYS  36          HD1       LYS  36 -10.305  -2.100  10.047
  258   1HE   LYS  36          HE2       LYS  36 -11.540  -2.561   7.999
  259   2HE   LYS  36          HE1       LYS  36 -12.100  -4.094   8.666
  260   1HZ   LYS  36          HZ1       LYS  36 -12.648  -1.642  10.174
  261   2HZ   LYS  36          HZ2       LYS  36 -13.558  -3.063  10.059
  262   3HZ   LYS  36          HZ3       LYS  36 -13.569  -1.948   8.788
  263    H    ILE  37           HN       ILE  37  -8.688  -4.828   5.330
  264    HA   ILE  37           HA       ILE  37  -9.759  -7.219   6.157
  265    HB   ILE  37           HB       ILE  37  -8.598  -6.611   3.445
  266   1HG1  ILE  37          HG12      ILE  37 -11.421  -6.249   4.468
  267   2HG1  ILE  37          HG11      ILE  37 -10.256  -4.947   4.250
  268   1HG2  ILE  37          HG21      ILE  37 -10.409  -8.776   4.445
  269   2HG2  ILE  37          HG22      ILE  37  -8.984  -8.904   3.413
  270   3HG2  ILE  37          HG23      ILE  37 -10.485  -8.240   2.766
  271   1HD1  ILE  37          HD11      ILE  37 -10.969  -4.716   2.173
  272   2HD1  ILE  37          HD12      ILE  37 -12.036  -6.109   2.352
  273   3HD1  ILE  37          HD13      ILE  37 -10.373  -6.336   1.810
  274    H    LEU  38           HN       LEU  38  -6.597  -6.887   4.482
  275    HA   LEU  38           HA       LEU  38  -5.712  -9.285   5.933
  276   1HB   LEU  38          HB2       LEU  38  -6.529  -9.795   3.581
  277   2HB   LEU  38          HB1       LEU  38  -5.163  -8.868   3.005
  278    HG   LEU  38           HG       LEU  38  -3.658 -10.407   4.243
  279   1HD1  LEU  38          HD11      LEU  38  -4.562 -11.711   5.798
  280   2HD1  LEU  38          HD12      LEU  38  -5.205 -12.698   4.485
  281   3HD1  LEU  38          HD13      LEU  38  -6.193 -11.419   5.192
  282   1HD2  LEU  38          HD21      LEU  38  -4.768 -10.676   1.770
  283   2HD2  LEU  38          HD22      LEU  38  -5.112 -12.249   2.488
  284   3HD2  LEU  38          HD23      LEU  38  -3.450 -11.666   2.396
  285    H    ARG  39           HN       ARG  39  -5.230  -6.326   5.885
  286    HA   ARG  39           HA       ARG  39  -3.558  -4.836   6.162
  287   1HB   ARG  39          HB2       ARG  39  -2.486  -7.389   7.167
  288   2HB   ARG  39          HB1       ARG  39  -1.289  -6.146   6.835
  289   1HG   ARG  39          HG2       ARG  39  -1.978  -6.057   9.145
  290   2HG   ARG  39          HG1       ARG  39  -2.496  -4.600   8.298
  291   1HD   ARG  39          HD2       ARG  39  -4.750  -5.570   8.057
  292   2HD   ARG  39          HD1       ARG  39  -4.220  -6.989   8.960
  293    HE   ARG  39           HE       ARG  39  -4.502  -5.812  10.885
  294   1HH1  ARG  39          HH11      ARG  39  -4.389  -3.526   8.230
  295   2HH1  ARG  39          HH12      ARG  39  -4.617  -2.141   9.247
  296   1HH2  ARG  39          HH21      ARG  39  -4.827  -3.986  12.224
  297   2HH2  ARG  39          HH22      ARG  39  -4.874  -2.404  11.522
  298    H    ARG  40           HN       ARG  40  -3.927  -5.959   3.465
  299    HA   ARG  40           HA       ARG  40  -1.329  -6.201   2.288
  300   1HB   ARG  40          HB2       ARG  40  -4.058  -5.689   1.102
  301   2HB   ARG  40          HB1       ARG  40  -2.600  -5.780   0.123
  302   1HG   ARG  40          HG2       ARG  40  -2.217  -8.065   1.051
  303   2HG   ARG  40          HG1       ARG  40  -3.806  -7.955   1.810
  304   1HD   ARG  40          HD2       ARG  40  -4.867  -7.721  -0.344
  305   2HD   ARG  40          HD1       ARG  40  -3.299  -7.664  -1.149
  306    HE   ARG  40           HE       ARG  40  -4.729  -9.989  -0.364
  307   1HH1  ARG  40          HH11      ARG  40  -1.498  -8.714  -0.807
  308   2HH1  ARG  40          HH12      ARG  40  -0.747 -10.274  -0.877
  309   1HH2  ARG  40          HH21      ARG  40  -3.735 -12.060  -0.488
  310   2HH2  ARG  40          HH22      ARG  40  -2.020 -12.173  -0.708
  311    H    CYS  41           HN       CYS  41  -0.140  -4.645   1.196
  312    HA   CYS  41           HA       CYS  41  -0.469  -1.970   2.151
  313   1HB   CYS  41          HB2       CYS  41   1.759  -2.894   1.917
  314   2HB   CYS  41          HB1       CYS  41   1.498  -3.172   0.198
  315    H    LEU  42           HN       LEU  42  -2.275  -1.008   1.292
  316    HA   LEU  42           HA       LEU  42  -2.741  -1.074  -1.573
  317   1HB   LEU  42          HB2       LEU  42  -4.167   0.068   0.802
  318   2HB   LEU  42          HB1       LEU  42  -4.546   0.700  -0.789
  319    HG   LEU  42           HG       LEU  42  -5.254  -1.540  -1.512
  320   1HD1  LEU  42          HD11      LEU  42  -4.710  -3.398  -0.437
  321   2HD1  LEU  42          HD12      LEU  42  -5.428  -2.799   1.059
  322   3HD1  LEU  42          HD13      LEU  42  -3.749  -2.420   0.673
  323   1HD2  LEU  42          HD21      LEU  42  -6.595   0.162   0.173
  324   2HD2  LEU  42          HD22      LEU  42  -6.780  -1.404   0.963
  325   3HD2  LEU  42          HD23      LEU  42  -7.305  -1.191  -0.708
  326    H    CYS  43           HN       CYS  43  -1.629   0.250  -2.880
  327    HA   CYS  43           HA       CYS  43  -0.524   2.712  -1.779
  328   1HB   CYS  43          HB2       CYS  43  -0.105   1.405  -4.475
  329   2HB   CYS  43          HB1       CYS  43   0.726   2.842  -3.901
  330    H    THR  44           HN       THR  44  -1.270   4.688  -2.292
  331    HA   THR  44           HA       THR  44  -3.401   4.820  -4.317
  332    HB   THR  44           HB       THR  44  -4.128   6.848  -2.744
  333    HG1  THR  44           HG1      THR  44  -2.311   6.110  -1.265
  334   1HG2  THR  44          HG21      THR  44  -5.169   4.429  -3.399
  335   2HG2  THR  44          HG22      THR  44  -5.962   5.602  -2.347
  336   3HG2  THR  44          HG23      THR  44  -5.035   4.275  -1.647
  337    H    LYS  45           HN       LYS  45  -3.445   6.489  -5.672
  338    HA   LYS  45           HA       LYS  45  -1.913   8.871  -5.330
  339   1HB   LYS  45          HB2       LYS  45  -0.437   8.626  -7.250
  340   2HB   LYS  45          HB1       LYS  45  -0.107   7.365  -6.076
  341   1HG   LYS  45          HG2       LYS  45  -1.314   5.753  -7.434
  342   2HG   LYS  45          HG1       LYS  45  -1.718   7.019  -8.598
  343   1HD   LYS  45          HD2       LYS  45   0.638   7.365  -9.074
  344   2HD   LYS  45          HD1       LYS  45   1.079   6.164  -7.860
  345   1HE   LYS  45          HE2       LYS  45  -0.206   4.479  -9.190
  346   2HE   LYS  45          HE1       LYS  45  -0.389   5.702 -10.448
  347   1HZ   LYS  45          HZ1       LYS  45   2.327   5.404  -9.578
  348   2HZ   LYS  45          HZ2       LYS  45   1.685   5.368 -11.145
  349   3HZ   LYS  45          HZ3       LYS  45   1.690   3.964 -10.204
  350    H    GLU  46           HN       GLU  46  -1.815   9.420  -8.204
  351    HA   GLU  46           HA       GLU  46  -4.666   9.258  -8.842
  352   1HB   GLU  46          HB2       GLU  46  -4.917  11.507  -9.174
  353   2HB   GLU  46          HB1       GLU  46  -3.710  11.546  -7.902
  354   1HG   GLU  46          HG2       GLU  46  -2.616  12.934  -9.251
  355   2HG   GLU  46          HG1       GLU  46  -2.164  11.484 -10.151
  356    H    CYS  47           HN       CYS  47  -5.153   9.017 -11.007
  357    HA   CYS  47           HA       CYS  47  -3.253   9.276 -13.085
  358   1HB   CYS  47          HB2       CYS  47  -2.821   7.007 -13.646
  359   2HB   CYS  47          HB1       CYS  47  -2.443   7.178 -11.941
  Start of MODEL    4
    1   1H    ALA   1          HT1       ALA   1  -6.500  11.677 -10.497
    2   2H    ALA   1          HT2       ALA   1  -7.754  11.586 -11.627
    3   3H    ALA   1          HT3       ALA   1  -6.393  10.586 -11.787
    4    HA   ALA   1           HA       ALA   1  -8.554  10.445  -9.799
    5   1HB   ALA   1          HB1       ALA   1  -7.507   8.715 -11.980
    6   2HB   ALA   1          HB2       ALA   1  -9.175   9.097 -11.551
    7   3HB   ALA   1          HB3       ALA   1  -8.253   7.953 -10.575
    8    H    THR   2           HN       THR   2  -7.857   7.852  -8.942
    9    HA   THR   2           HA       THR   2  -5.222   8.116  -7.721
   10    HB   THR   2           HB       THR   2  -7.676   7.620  -6.023
   11    HG1  THR   2           HG1      THR   2  -6.179  10.003  -6.462
   12   1HG2  THR   2          HG21      THR   2  -5.032   7.026  -5.543
   13   2HG2  THR   2          HG22      THR   2  -6.274   7.248  -4.312
   14   3HG2  THR   2          HG23      THR   2  -5.229   8.596  -4.762
   15    H    CYS   3           HN       CYS   3  -4.284   6.266  -8.177
   16    HA   CYS   3           HA       CYS   3  -5.886   3.852  -8.464
   17   1HB   CYS   3          HB2       CYS   3  -3.087   4.604  -9.299
   18   2HB   CYS   3          HB1       CYS   3  -3.666   2.935  -9.370
   19    H    LYS   4           HN       LYS   4  -5.660   2.063  -7.224
   20    HA   LYS   4           HA       LYS   4  -3.721   2.157  -5.011
   21   1HB   LYS   4          HB2       LYS   4  -6.057   2.858  -4.336
   22   2HB   LYS   4          HB1       LYS   4  -6.589   1.236  -4.748
   23   1HG   LYS   4          HG2       LYS   4  -4.902   0.388  -3.075
   24   2HG   LYS   4          HG1       LYS   4  -4.702   2.066  -2.564
   25   1HD   LYS   4          HD2       LYS   4  -7.218   0.405  -2.464
   26   2HD   LYS   4          HD1       LYS   4  -6.292   1.040  -1.102
   27   1HE   LYS   4          HE2       LYS   4  -6.894   3.293  -1.666
   28   2HE   LYS   4          HE1       LYS   4  -7.653   2.765  -3.167
   29   1HZ   LYS   4          HZ1       LYS   4  -8.580   2.016  -0.446
   30   2HZ   LYS   4          HZ2       LYS   4  -9.332   1.615  -1.906
   31   3HZ   LYS   4          HZ3       LYS   4  -9.270   3.229  -1.404
   32    H    ALA   5           HN       ALA   5  -2.663   0.317  -4.696
   33    HA   ALA   5           HA       ALA   5  -3.707  -2.279  -5.237
   34   1HB   ALA   5          HB1       ALA   5  -2.274  -0.927  -7.373
   35   2HB   ALA   5          HB2       ALA   5  -3.169  -2.446  -7.404
   36   3HB   ALA   5          HB3       ALA   5  -1.482  -2.427  -6.890
   37    H    GLU   6           HN       GLU   6  -2.403  -3.874  -4.279
   38    HA   GLU   6           HA       GLU   6  -0.664  -2.978  -2.249
   39   1HB   GLU   6          HB2       GLU   6  -0.618  -5.798  -3.295
   40   2HB   GLU   6          HB1       GLU   6  -0.345  -5.229  -1.662
   41   1HG   GLU   6          HG2       GLU   6  -2.408  -6.111  -1.416
   42   2HG   GLU   6          HG1       GLU   6  -2.850  -4.463  -1.856
   43    H    CYS   7           HN       CYS   7   1.561  -3.128  -2.054
   44    HA   CYS   7           HA       CYS   7   3.049  -2.496  -4.343
   45   1HB   CYS   7          HB2       CYS   7   3.704  -1.938  -1.977
   46   2HB   CYS   7          HB1       CYS   7   4.185  -3.621  -1.775
   47    HA   PRO   8           HA       PRO   8   3.434  -6.446  -6.318
   48   1HB   PRO   8          HB2       PRO   8   5.795  -5.773  -7.669
   49   2HB   PRO   8          HB1       PRO   8   4.154  -5.527  -8.268
   50   1HG   PRO   8          HG2       PRO   8   6.008  -3.600  -6.959
   51   2HG   PRO   8          HG1       PRO   8   4.824  -3.323  -8.249
   52   1HD   PRO   8          HD2       PRO   8   4.356  -2.546  -5.727
   53   2HD   PRO   8          HD1       PRO   8   3.053  -3.172  -6.759
   54    H    THR   9           HN       THR   9   6.243  -4.900  -4.816
   55    HA   THR   9           HA       THR   9   7.436  -7.527  -4.350
   56    HB   THR   9           HB       THR   9   9.394  -6.163  -3.486
   57    HG1  THR   9           HG1      THR   9   7.893  -4.211  -3.319
   58   1HG2  THR   9          HG21      THR   9   8.527  -5.720  -6.345
   59   2HG2  THR   9          HG22      THR   9   9.392  -7.128  -5.727
   60   3HG2  THR   9          HG23      THR   9  10.172  -5.546  -5.733
   61    H    TRP  10           HN       TRP  10   5.117  -7.106  -2.880
   62    HA   TRP  10           HA       TRP  10   6.226  -7.108  -0.181
   63   1HB   TRP  10          HB2       TRP  10   5.394  -4.781  -0.664
   64   2HB   TRP  10          HB1       TRP  10   3.782  -5.463  -0.858
   65    HD1  TRP  10           HD1      TRP  10   2.676  -6.591   1.407
   66    HE1  TRP  10           HE1      TRP  10   3.025  -5.969   3.891
   67    HE3  TRP  10           HE3      TRP  10   6.979  -3.877   0.960
   68    HZ2  TRP  10           HZ2      TRP  10   4.887  -4.483   5.440
   69    HZ3  TRP  10           HZ3      TRP  10   7.959  -2.874   2.976
   70    HH2  TRP  10           HH2      TRP  10   6.937  -3.179   5.165
   71    H    ASP  11           HN       ASP  11   5.619  -8.945   0.673
   72    HA   ASP  11           HA       ASP  11   2.837  -9.701   0.680
   73   1HB   ASP  11          HB2       ASP  11   3.998 -10.812  -1.369
   74   2HB   ASP  11          HB1       ASP  11   4.767 -11.846  -0.166
   75    H    SER  12           HN       SER  12   3.580  -8.860   2.798
   76    HA   SER  12           HA       SER  12   4.102 -11.059   4.582
   77   1HB   SER  12          HB2       SER  12   5.988  -8.685   4.485
   78   2HB   SER  12          HB1       SER  12   6.007  -9.955   5.708
   79    HG   SER  12           HG       SER  12   6.077 -11.084   3.282
   80    H    VAL  13           HN       VAL  13   4.009 -10.226   6.908
   81    HA   VAL  13           HA       VAL  13   1.675  -8.575   7.142
   82    HB   VAL  13           HB       VAL  13   3.420  -9.756   9.314
   83   1HG1  VAL  13          HG11      VAL  13   0.563  -9.110   9.762
   84   2HG1  VAL  13          HG12      VAL  13   1.700  -7.763   9.707
   85   3HG1  VAL  13          HG13      VAL  13   1.926  -9.062  10.879
   86   1HG2  VAL  13          HG21      VAL  13   2.581 -11.596   8.151
   87   2HG2  VAL  13          HG22      VAL  13   1.036 -10.808   7.830
   88   3HG2  VAL  13          HG23      VAL  13   1.418 -11.366   9.459
   89    H    CYS  14           HN       CYS  14   1.603  -6.478   7.468
   90    HA   CYS  14           HA       CYS  14   3.982  -4.911   7.622
   91   1HB   CYS  14          HB2       CYS  14   2.359  -3.827   6.405
   92   2HB   CYS  14          HB1       CYS  14   1.055  -4.368   7.459
   93    H    ILE  15           HN       ILE  15   4.922  -3.970   9.300
   94    HA   ILE  15           HA       ILE  15   3.796  -4.424  11.970
   95    HB   ILE  15           HB       ILE  15   6.607  -3.608  11.195
   96   1HG1  ILE  15          HG12      ILE  15   6.112  -5.867  10.421
   97   2HG1  ILE  15          HG11      ILE  15   7.222  -5.929  11.785
   98   1HG2  ILE  15          HG21      ILE  15   7.134  -3.434  13.366
   99   2HG2  ILE  15          HG22      ILE  15   6.151  -4.828  13.816
  100   3HG2  ILE  15          HG23      ILE  15   5.397  -3.247  13.610
  101   1HD1  ILE  15          HD11      ILE  15   5.849  -7.302  12.837
  102   2HD1  ILE  15          HD12      ILE  15   4.741  -7.241  11.466
  103   3HD1  ILE  15          HD13      ILE  15   4.572  -6.086  12.788
  104    H    ASN  16           HN       ASN  16   5.046  -1.976   9.802
  105    HA   ASN  16           HA       ASN  16   3.613   0.106  11.245
  106   1HB   ASN  16          HB2       ASN  16   5.982   0.084  12.118
  107   2HB   ASN  16          HB1       ASN  16   6.535   0.420  10.483
  108   1HD2  ASN  16          HD21      ASN  16   5.579   1.745  13.396
  109   2HD2  ASN  16          HD22      ASN  16   5.384   3.386  12.887
  110    H    LYS  17           HN       LYS  17   3.395   2.069   9.830
  111    HA   LYS  17           HA       LYS  17   2.770   1.247   7.179
  112   1HB   LYS  17          HB2       LYS  17   1.720   3.125   8.732
  113   2HB   LYS  17          HB1       LYS  17   2.865   4.142   7.864
  114   1HG   LYS  17          HG2       LYS  17   1.861   3.041   5.747
  115   2HG   LYS  17          HG1       LYS  17   0.526   2.609   6.812
  116   1HD   LYS  17          HD2       LYS  17  -0.103   4.647   5.816
  117   2HD   LYS  17          HD1       LYS  17   0.435   5.071   7.443
  118   1HE   LYS  17          HE2       LYS  17   2.330   6.103   6.697
  119   2HE   LYS  17          HE1       LYS  17   2.433   5.106   5.246
  120   1HZ   LYS  17          HZ1       LYS  17   0.362   6.342   4.503
  121   2HZ   LYS  17          HZ2       LYS  17   1.819   7.200   4.479
  122   3HZ   LYS  17          HZ3       LYS  17   0.711   7.453   5.735
  123    H    LYS  18           HN       LYS  18   5.513   2.965   8.582
  124    HA   LYS  18           HA       LYS  18   6.459   4.229   6.317
  125   1HB   LYS  18          HB2       LYS  18   8.735   4.149   7.331
  126   2HB   LYS  18          HB1       LYS  18   7.477   4.786   8.373
  127   1HG   LYS  18          HG2       LYS  18   7.381   2.564   9.492
  128   2HG   LYS  18          HG1       LYS  18   8.775   2.079   8.525
  129   1HD   LYS  18          HD2       LYS  18   8.684   4.401  10.452
  130   2HD   LYS  18          HD1       LYS  18   9.437   2.837  10.762
  131   1HE   LYS  18          HE2       LYS  18  10.235   4.754   8.573
  132   2HE   LYS  18          HE1       LYS  18  11.067   4.571  10.115
  133   1HZ   LYS  18          HZ1       LYS  18  11.034   2.792   7.796
  134   2HZ   LYS  18          HZ2       LYS  18  11.129   2.074   9.325
  135   3HZ   LYS  18          HZ3       LYS  18  12.307   3.186   8.839
  136    HA   PRO  19           HA       PRO  19   9.003   0.216   5.035
  137   1HB   PRO  19          HB2       PRO  19   6.951  -1.791   5.836
  138   2HB   PRO  19          HB1       PRO  19   8.709  -1.928   5.863
  139   1HG   PRO  19          HG2       PRO  19   7.379  -1.621   8.125
  140   2HG   PRO  19          HG1       PRO  19   8.890  -0.725   7.861
  141   1HD   PRO  19          HD2       PRO  19   6.057   0.229   7.617
  142   2HD   PRO  19          HD1       PRO  19   7.449   1.030   8.373
  143    H    CYS  20           HN       CYS  20   5.485   0.147   5.201
  144    HA   CYS  20           HA       CYS  20   4.980  -0.900   2.646
  145   1HB   CYS  20          HB2       CYS  20   3.279  -0.855   4.400
  146   2HB   CYS  20          HB1       CYS  20   3.298   0.902   4.415
  147    H    VAL  21           HN       VAL  21   5.105   2.447   3.847
  148    HA   VAL  21           HA       VAL  21   4.535   3.756   1.443
  149    HB   VAL  21           HB       VAL  21   6.340   4.724   3.670
  150   1HG1  VAL  21          HG11      VAL  21   6.670   6.047   1.674
  151   2HG1  VAL  21          HG12      VAL  21   5.737   6.979   2.846
  152   3HG1  VAL  21          HG13      VAL  21   4.928   6.231   1.469
  153   1HG2  VAL  21          HG21      VAL  21   4.246   5.984   4.324
  154   2HG2  VAL  21          HG22      VAL  21   4.245   4.247   4.629
  155   3HG2  VAL  21          HG23      VAL  21   3.374   4.899   3.240
  156    H    ALA  22           HN       ALA  22   7.576   2.508   2.722
  157    HA   ALA  22           HA       ALA  22   9.282   3.667   0.796
  158   1HB   ALA  22          HB1       ALA  22  10.904   2.606   1.910
  159   2HB   ALA  22          HB2       ALA  22  10.128   1.035   1.712
  160   3HB   ALA  22          HB3       ALA  22   9.637   2.101   3.029
  161    H    CYS  23           HN       CYS  23   7.696   0.486   0.940
  162    HA   CYS  23           HA       CYS  23   8.648  -0.517  -1.510
  163   1HB   CYS  23          HB2       CYS  23   7.348  -1.706   0.401
  164   2HB   CYS  23          HB1       CYS  23   5.907  -1.140  -0.428
  165    H    CYS  24           HN       CYS  24   5.735   1.276  -0.662
  166    HA   CYS  24           HA       CYS  24   4.605   1.341  -3.237
  167   1HB   CYS  24          HB2       CYS  24   4.251   3.194  -0.880
  168   2HB   CYS  24          HB1       CYS  24   3.218   3.182  -2.309
  169    H    LYS  25           HN       LYS  25   6.856   3.533  -1.593
  170    HA   LYS  25           HA       LYS  25   6.720   5.610  -3.492
  171   1HB   LYS  25          HB2       LYS  25   7.762   5.616  -1.131
  172   2HB   LYS  25          HB1       LYS  25   9.202   4.987  -1.916
  173   1HG   LYS  25          HG2       LYS  25   9.186   7.456  -1.560
  174   2HG   LYS  25          HG1       LYS  25   9.451   6.951  -3.229
  175   1HD   LYS  25          HD2       LYS  25   7.889   8.863  -3.023
  176   2HD   LYS  25          HD1       LYS  25   7.165   7.457  -3.798
  177   1HE   LYS  25          HE2       LYS  25   5.565   8.367  -2.278
  178   2HE   LYS  25          HE1       LYS  25   6.153   6.851  -1.600
  179   1HZ   LYS  25          HZ1       LYS  25   7.256   7.924   0.069
  180   2HZ   LYS  25          HZ2       LYS  25   5.942   8.970  -0.135
  181   3HZ   LYS  25          HZ3       LYS  25   7.446   9.361  -0.804
  182    H    LYS  26           HN       LYS  26   8.953   2.834  -3.233
  183    HA   LYS  26           HA       LYS  26  10.442   3.532  -5.554
  184   1HB   LYS  26          HB2       LYS  26  11.070   1.027  -5.505
  185   2HB   LYS  26          HB1       LYS  26  11.582   2.043  -4.165
  186   1HG   LYS  26          HG2       LYS  26  10.074   1.106  -2.702
  187   2HG   LYS  26          HG1       LYS  26   9.012   0.545  -3.992
  188   1HD   LYS  26          HD2       LYS  26  11.763  -0.570  -3.476
  189   2HD   LYS  26          HD1       LYS  26  10.279  -1.258  -2.811
  190   1HE   LYS  26          HE2       LYS  26   9.446  -1.381  -5.212
  191   2HE   LYS  26          HE1       LYS  26  11.111  -1.052  -5.693
  192   1HZ   LYS  26          HZ1       LYS  26  11.561  -3.032  -4.052
  193   2HZ   LYS  26          HZ2       LYS  26  11.140  -3.308  -5.666
  194   3HZ   LYS  26          HZ3       LYS  26   9.966  -3.443  -4.451
  195    H    ALA  27           HN       ALA  27   7.432   1.877  -5.030
  196    HA   ALA  27           HA       ALA  27   7.319   0.808  -7.724
  197   1HB   ALA  27          HB1       ALA  27   4.778   0.594  -6.666
  198   2HB   ALA  27          HB2       ALA  27   5.824   0.467  -5.251
  199   3HB   ALA  27          HB3       ALA  27   6.037  -0.640  -6.607
  200    H    LYS  28           HN       LYS  28   7.282   3.795  -6.760
  201    HA   LYS  28           HA       LYS  28   6.532   5.764  -7.507
  202   1HB   LYS  28          HB2       LYS  28   7.050   5.003  -9.715
  203   2HB   LYS  28          HB1       LYS  28   5.563   4.078  -9.815
  204   1HG   LYS  28          HG2       LYS  28   5.645   6.235 -11.127
  205   2HG   LYS  28          HG1       LYS  28   4.248   6.011 -10.077
  206   1HD   LYS  28          HD2       LYS  28   5.521   7.391  -8.349
  207   2HD   LYS  28          HD1       LYS  28   6.636   7.795  -9.658
  208   1HE   LYS  28          HE2       LYS  28   4.977   8.927 -10.884
  209   2HE   LYS  28          HE1       LYS  28   3.669   8.203  -9.949
  210   1HZ   LYS  28          HZ1       LYS  28   5.069  10.612  -9.491
  211   2HZ   LYS  28          HZ2       LYS  28   5.211   9.599  -8.148
  212   3HZ   LYS  28          HZ3       LYS  28   3.672  10.024  -8.727
  213    H    PHE  29           HN       PHE  29   5.186   5.269  -5.507
  214    HA   PHE  29           HA       PHE  29   2.404   5.903  -6.192
  215   1HB   PHE  29          HB2       PHE  29   3.284   3.902  -4.106
  216   2HB   PHE  29          HB1       PHE  29   1.702   4.674  -4.060
  217    HD1  PHE  29           HD1      PHE  29   3.872   2.400  -5.993
  218    HD2  PHE  29           HD2      PHE  29  -0.051   3.969  -5.500
  219    HE1  PHE  29           HE1      PHE  29   2.996   0.679  -7.516
  220    HE2  PHE  29           HE2      PHE  29  -0.934   2.248  -7.022
  221    HZ   PHE  29           HZ       PHE  29   0.591   0.600  -8.031
  222    H    SER  30           HN       SER  30   1.409   7.362  -4.765
  223    HA   SER  30           HA       SER  30   3.108   9.316  -3.693
  224   1HB   SER  30          HB2       SER  30   0.198   8.963  -2.987
  225   2HB   SER  30          HB1       SER  30   1.116  10.469  -3.083
  226    HG   SER  30           HG       SER  30   1.341   9.974  -5.377
  227    H    ASP  31           HN       ASP  31   1.028   6.939  -2.082
  228    HA   ASP  31           HA       ASP  31   2.796   6.811   0.186
  229   1HB   ASP  31          HB2       ASP  31   1.574   8.845   0.733
  230   2HB   ASP  31          HB1       ASP  31   0.040   8.026   0.479
  231    H    GLY  32           HN       GLY  32   2.557   4.954   1.286
  232   1HA   GLY  32          HA2       GLY  32   0.500   3.100   0.290
  233   2HA   GLY  32          HA1       GLY  32   2.055   2.620   0.961
  234    H    HIS  33           HN       HIS  33  -0.803   1.988   1.622
  235    HA   HIS  33           HA       HIS  33  -0.609   2.579   4.500
  236   1HB   HIS  33          HB2       HIS  33  -3.140   2.480   4.531
  237   2HB   HIS  33          HB1       HIS  33  -2.443   3.899   3.764
  238    HD1  HIS  33           HD1      HIS  33  -2.287   3.622   0.998
  239    HD2  HIS  33           HD2      HIS  33  -5.054   1.285   3.039
  240    HE1  HIS  33           HE1      HIS  33  -3.924   2.846  -0.738
  241    H    CYS  34           HN       CYS  34  -0.691   0.881   5.800
  242    HA   CYS  34           HA       CYS  34  -0.573  -1.740   4.760
  243   1HB   CYS  34          HB2       CYS  34  -0.883  -0.742   7.593
  244   2HB   CYS  34          HB1       CYS  34  -0.582  -2.424   7.161
  245    H    SER  35           HN       SER  35  -2.011  -3.354   4.701
  246    HA   SER  35           HA       SER  35  -4.791  -2.693   4.676
  247   1HB   SER  35          HB2       SER  35  -3.797  -4.342   3.117
  248   2HB   SER  35          HB1       SER  35  -3.435  -5.400   4.479
  249    HG   SER  35           HG       SER  35  -5.885  -4.800   3.273
  250    H    LYS  36           HN       LYS  36  -6.413  -3.498   6.071
  251    HA   LYS  36           HA       LYS  36  -5.471  -3.928   8.784
  252   1HB   LYS  36          HB2       LYS  36  -7.221  -2.271   8.447
  253   2HB   LYS  36          HB1       LYS  36  -8.250  -3.471   7.679
  254   1HG   LYS  36          HG2       LYS  36  -8.475  -4.674   9.751
  255   2HG   LYS  36          HG1       LYS  36  -7.328  -3.592  10.543
  256   1HD   LYS  36          HD2       LYS  36  -9.980  -2.751   9.371
  257   2HD   LYS  36          HD1       LYS  36  -9.685  -3.068  11.082
  258   1HE   LYS  36          HE2       LYS  36  -7.999  -1.277  11.106
  259   2HE   LYS  36          HE1       LYS  36  -8.335  -0.952   9.406
  260   1HZ   LYS  36          HZ1       LYS  36 -10.774  -0.891  10.714
  261   2HZ   LYS  36          HZ2       LYS  36  -9.920   0.421  10.074
  262   3HZ   LYS  36          HZ3       LYS  36  -9.705  -0.016  11.693
  263    H    ILE  37           HN       ILE  37  -7.318  -5.598   6.302
  264    HA   ILE  37           HA       ILE  37  -8.146  -7.784   7.881
  265    HB   ILE  37           HB       ILE  37  -7.728  -7.744   4.893
  266   1HG1  ILE  37          HG12      ILE  37 -10.232  -7.054   6.444
  267   2HG1  ILE  37          HG11      ILE  37  -9.147  -5.863   5.735
  268   1HG2  ILE  37          HG21      ILE  37  -8.062  -9.977   5.869
  269   2HG2  ILE  37          HG22      ILE  37  -9.409  -9.495   4.838
  270   3HG2  ILE  37          HG23      ILE  37  -9.572  -9.421   6.593
  271   1HD1  ILE  37          HD11      ILE  37 -11.036  -7.736   4.405
  272   2HD1  ILE  37          HD12      ILE  37  -9.596  -7.200   3.537
  273   3HD1  ILE  37          HD13      ILE  37 -10.764  -6.016   4.126
  274    H    LEU  38           HN       LEU  38  -5.846  -8.006   5.162
  275    HA   LEU  38           HA       LEU  38  -4.621 -10.319   6.405
  276   1HB   LEU  38          HB2       LEU  38  -5.165 -10.141   3.941
  277   2HB   LEU  38          HB1       LEU  38  -3.845  -9.000   3.810
  278    HG   LEU  38           HG       LEU  38  -2.247 -10.687   4.475
  279   1HD1  LEU  38          HD11      LEU  38  -3.606 -11.944   6.042
  280   2HD1  LEU  38          HD12      LEU  38  -2.941 -13.023   4.816
  281   3HD1  LEU  38          HD13      LEU  38  -4.629 -12.520   4.726
  282   1HD2  LEU  38          HD21      LEU  38  -2.937 -10.513   2.097
  283   2HD2  LEU  38          HD22      LEU  38  -4.090 -11.818   2.377
  284   3HD2  LEU  38          HD23      LEU  38  -2.361 -12.118   2.550
  285    H    ARG  39           HN       ARG  39  -4.179  -7.049   6.464
  286    HA   ARG  39           HA       ARG  39  -2.629  -5.652   7.307
  287   1HB   ARG  39          HB2       ARG  39  -2.590  -7.463   9.088
  288   2HB   ARG  39          HB1       ARG  39  -1.134  -8.068   8.313
  289   1HG   ARG  39          HG2       ARG  39  -0.549  -6.683  10.194
  290   2HG   ARG  39          HG1       ARG  39  -0.051  -5.892   8.697
  291   1HD   ARG  39          HD2       ARG  39  -2.099  -4.516   8.781
  292   2HD   ARG  39          HD1       ARG  39  -2.521  -5.271  10.316
  293    HE   ARG  39           HE       ARG  39  -0.683  -3.143   9.905
  294   1HH1  ARG  39          HH11      ARG  39  -1.277  -5.936  11.927
  295   2HH1  ARG  39          HH12      ARG  39  -0.346  -5.334  13.257
  296   1HH2  ARG  39          HH21      ARG  39   0.542  -2.337  11.658
  297   2HH2  ARG  39          HH22      ARG  39   0.694  -3.278  13.103
  298    H    ARG  40           HN       ARG  40  -2.350  -6.583   4.599
  299    HA   ARG  40           HA       ARG  40   0.506  -6.849   4.153
  300   1HB   ARG  40          HB2       ARG  40  -1.870  -6.735   2.310
  301   2HB   ARG  40          HB1       ARG  40  -0.230  -6.609   1.692
  302   1HG   ARG  40          HG2       ARG  40   0.265  -8.801   2.793
  303   2HG   ARG  40          HG1       ARG  40  -1.458  -8.933   3.159
  304   1HD   ARG  40          HD2       ARG  40  -0.251  -8.650   0.406
  305   2HD   ARG  40          HD1       ARG  40  -0.869 -10.145   1.109
  306    HE   ARG  40           HE       ARG  40  -3.030  -8.640   1.270
  307   1HH1  ARG  40          HH11      ARG  40  -0.762  -8.988  -1.383
  308   2HH1  ARG  40          HH12      ARG  40  -1.940  -8.595  -2.599
  309   1HH2  ARG  40          HH21      ARG  40  -4.586  -8.174  -0.361
  310   2HH2  ARG  40          HH22      ARG  40  -4.082  -8.103  -2.026
  311    H    CYS  41           HN       CYS  41   0.221  -5.143   1.633
  312    HA   CYS  41           HA       CYS  41   0.177  -2.478   2.859
  313   1HB   CYS  41          HB2       CYS  41   2.488  -2.993   2.923
  314   2HB   CYS  41          HB1       CYS  41   2.451  -3.728   1.326
  315    H    LEU  42           HN       LEU  42  -1.259  -1.339   1.778
  316    HA   LEU  42           HA       LEU  42  -1.672  -1.837  -1.087
  317   1HB   LEU  42          HB2       LEU  42  -3.364  -0.787   1.127
  318   2HB   LEU  42          HB1       LEU  42  -3.667  -0.162  -0.481
  319    HG   LEU  42           HG       LEU  42  -4.022  -2.500  -1.271
  320   1HD1  LEU  42          HD11      LEU  42  -2.690  -3.355   0.849
  321   2HD1  LEU  42          HD12      LEU  42  -3.934  -4.333   0.071
  322   3HD1  LEU  42          HD13      LEU  42  -4.315  -3.423   1.533
  323   1HD2  LEU  42          HD21      LEU  42  -6.201  -2.292  -0.831
  324   2HD2  LEU  42          HD22      LEU  42  -5.741  -0.824   0.029
  325   3HD2  LEU  42          HD23      LEU  42  -5.951  -2.335   0.914
  326    H    CYS  43           HN       CYS  43  -0.911  -0.419  -2.518
  327    HA   CYS  43           HA       CYS  43   0.140   2.112  -1.500
  328   1HB   CYS  43          HB2       CYS  43   0.607   0.760  -4.158
  329   2HB   CYS  43          HB1       CYS  43   1.451   2.176  -3.542
  330    H    THR  44           HN       THR  44  -0.536   4.065  -2.178
  331    HA   THR  44           HA       THR  44  -2.656   4.146  -4.224
  332    HB   THR  44           HB       THR  44  -3.008   6.401  -2.642
  333    HG1  THR  44           HG1      THR  44  -1.748   5.425  -0.979
  334   1HG2  THR  44          HG21      THR  44  -4.868   4.468  -1.783
  335   2HG2  THR  44          HG22      THR  44  -4.471   4.074  -3.456
  336   3HG2  THR  44          HG23      THR  44  -5.075   5.680  -3.044
  337    H    LYS  45           HN       LYS  45  -2.561   5.854  -5.683
  338    HA   LYS  45           HA       LYS  45  -0.676   8.001  -5.362
  339   1HB   LYS  45          HB2       LYS  45   0.790   7.517  -7.180
  340   2HB   LYS  45          HB1       LYS  45   0.804   6.142  -6.090
  341   1HG   LYS  45          HG2       LYS  45   0.044   4.751  -7.659
  342   2HG   LYS  45          HG1       LYS  45  -1.153   5.909  -8.241
  343   1HD   LYS  45          HD2       LYS  45   0.354   6.939  -9.677
  344   2HD   LYS  45          HD1       LYS  45   1.759   6.321  -8.806
  345   1HE   LYS  45          HE2       LYS  45  -0.158   4.564 -10.327
  346   2HE   LYS  45          HE1       LYS  45   1.302   5.252 -11.040
  347   1HZ   LYS  45          HZ1       LYS  45   1.021   3.054  -9.185
  348   2HZ   LYS  45          HZ2       LYS  45   2.252   4.147  -8.784
  349   3HZ   LYS  45          HZ3       LYS  45   2.255   3.385 -10.294
  350    H    GLU  46           HN       GLU  46  -0.376   9.112  -7.545
  351    HA   GLU  46           HA       GLU  46  -2.987   9.933  -8.396
  352   1HB   GLU  46          HB2       GLU  46  -1.820  11.705  -9.524
  353   2HB   GLU  46          HB1       GLU  46  -1.082  11.485  -7.946
  354   1HG   GLU  46          HG2       GLU  46   0.073  10.181 -10.377
  355   2HG   GLU  46          HG1       GLU  46   0.414  11.864 -10.006
  356    H    CYS  47           HN       CYS  47  -3.940   9.660 -10.420
  357    HA   CYS  47           HA       CYS  47  -2.527   8.683 -12.671
  358   1HB   CYS  47          HB2       CYS  47  -3.525   6.487 -12.918
  359   2HB   CYS  47          HB1       CYS  47  -2.615   6.560 -11.416
  Start of MODEL    5
    1   1H    ALA   1          HT1       ALA   1 -13.696   9.425  -7.424
    2   2H    ALA   1          HT2       ALA   1 -12.821   8.495  -6.316
    3   3H    ALA   1          HT3       ALA   1 -13.111   7.904  -7.876
    4    HA   ALA   1           HA       ALA   1 -11.430   8.990  -8.771
    5   1HB   ALA   1          HB1       ALA   1 -12.835  11.156  -7.643
    6   2HB   ALA   1          HB2       ALA   1 -11.610  11.199  -8.911
    7   3HB   ALA   1          HB3       ALA   1 -11.136  11.377  -7.221
    8    H    THR   2           HN       THR   2 -11.102   7.128  -6.737
    9    HA   THR   2           HA       THR   2  -8.493   7.886  -5.743
   10    HB   THR   2           HB       THR   2 -10.568   6.879  -3.785
   11    HG1  THR   2           HG1      THR   2  -9.727   9.502  -4.446
   12   1HG2  THR   2          HG21      THR   2  -7.922   8.178  -3.179
   13   2HG2  THR   2          HG22      THR   2  -8.065   6.439  -3.438
   14   3HG2  THR   2          HG23      THR   2  -8.942   7.209  -2.115
   15    H    CYS   3           HN       CYS   3  -7.178   6.222  -6.054
   16    HA   CYS   3           HA       CYS   3  -8.348   3.554  -6.399
   17   1HB   CYS   3          HB2       CYS   3  -5.912   4.908  -7.508
   18   2HB   CYS   3          HB1       CYS   3  -5.964   3.148  -7.416
   19    H    LYS   4           HN       LYS   4  -7.837   1.924  -5.086
   20    HA   LYS   4           HA       LYS   4  -5.619   2.249  -3.177
   21   1HB   LYS   4          HB2       LYS   4  -7.872   2.804  -2.154
   22   2HB   LYS   4          HB1       LYS   4  -8.357   1.149  -2.471
   23   1HG   LYS   4          HG2       LYS   4  -6.003   1.880  -0.742
   24   2HG   LYS   4          HG1       LYS   4  -7.634   1.652  -0.120
   25   1HD   LYS   4          HD2       LYS   4  -5.957  -0.415  -1.546
   26   2HD   LYS   4          HD1       LYS   4  -6.300  -0.363   0.182
   27   1HE   LYS   4          HE2       LYS   4  -8.623  -0.795  -0.197
   28   2HE   LYS   4          HE1       LYS   4  -8.430  -0.601  -1.939
   29   1HZ   LYS   4          HZ1       LYS   4  -7.417  -2.636  -2.142
   30   2HZ   LYS   4          HZ2       LYS   4  -8.498  -2.962  -0.888
   31   3HZ   LYS   4          HZ3       LYS   4  -6.866  -2.671  -0.540
   32    H    ALA   5           HN       ALA   5  -4.383   0.489  -2.997
   33    HA   ALA   5           HA       ALA   5  -5.364  -2.169  -3.451
   34   1HB   ALA   5          HB1       ALA   5  -5.097  -1.960  -5.721
   35   2HB   ALA   5          HB2       ALA   5  -3.468  -2.466  -5.271
   36   3HB   ALA   5          HB3       ALA   5  -3.811  -0.762  -5.570
   37    H    GLU   6           HN       GLU   6  -4.104  -3.606  -2.355
   38    HA   GLU   6           HA       GLU   6  -2.059  -2.578  -0.680
   39   1HB   GLU   6          HB2       GLU   6  -2.741  -5.483  -1.236
   40   2HB   GLU   6          HB1       GLU   6  -1.699  -4.905   0.038
   41   1HG   GLU   6          HG2       GLU   6  -3.944  -5.543   0.819
   42   2HG   GLU   6          HG1       GLU   6  -3.514  -3.877   1.185
   43    H    CYS   7           HN       CYS   7   0.121  -2.928  -0.736
   44    HA   CYS   7           HA       CYS   7   1.464  -2.734  -3.125
   45   1HB   CYS   7          HB2       CYS   7   2.754  -2.152  -1.296
   46   2HB   CYS   7          HB1       CYS   7   2.251  -3.554  -0.362
   47    HA   PRO   8           HA       PRO   8   0.895  -6.734  -4.999
   48   1HB   PRO   8          HB2       PRO   8   3.081  -6.472  -6.717
   49   2HB   PRO   8          HB1       PRO   8   1.432  -5.947  -7.060
   50   1HG   PRO   8          HG2       PRO   8   3.768  -4.361  -6.104
   51   2HG   PRO   8          HG1       PRO   8   2.474  -3.895  -7.223
   52   1HD   PRO   8          HD2       PRO   8   2.511  -3.026  -4.688
   53   2HD   PRO   8          HD1       PRO   8   0.986  -3.433  -5.503
   54    H    THR   9           HN       THR   9   4.155  -5.636  -4.169
   55    HA   THR   9           HA       THR   9   5.005  -8.378  -3.686
   56    HB   THR   9           HB       THR   9   7.229  -7.184  -3.152
   57    HG1  THR   9           HG1      THR   9   6.048  -5.071  -3.023
   58   1HG2  THR   9          HG21      THR   9   6.007  -7.951  -5.595
   59   2HG2  THR   9          HG22      THR   9   7.725  -7.901  -5.202
   60   3HG2  THR   9          HG23      THR   9   6.939  -6.485  -5.900
   61    H    TRP  10           HN       TRP  10   3.034  -7.724  -1.944
   62    HA   TRP  10           HA       TRP  10   4.504  -7.472   0.583
   63   1HB   TRP  10          HB2       TRP  10   3.252  -5.329  -0.200
   64   2HB   TRP  10          HB1       TRP  10   1.802  -6.207   0.277
   65    HD1  TRP  10           HD1      TRP  10   1.390  -6.588   2.858
   66    HE1  TRP  10           HE1      TRP  10   2.454  -5.529   4.967
   67    HE3  TRP  10           HE3      TRP  10   5.435  -4.367   0.680
   68    HZ2  TRP  10           HZ2      TRP  10   4.729  -3.923   5.591
   69    HZ3  TRP  10           HZ3      TRP  10   6.990  -3.081   2.083
   70    HH2  TRP  10           HH2      TRP  10   6.640  -2.869   4.487
   71    H    ASP  11           HN       ASP  11   4.188  -9.240   1.686
   72    HA   ASP  11           HA       ASP  11   1.505 -10.434   1.781
   73   1HB   ASP  11          HB2       ASP  11   2.552 -12.675   1.823
   74   2HB   ASP  11          HB1       ASP  11   2.874 -11.830   0.314
   75    H    SER  12           HN       SER  12   3.986  -9.010   3.395
   76    HA   SER  12           HA       SER  12   3.626 -10.549   5.848
   77   1HB   SER  12          HB2       SER  12   5.929  -9.980   4.921
   78   2HB   SER  12          HB1       SER  12   5.602  -8.313   5.391
   79    HG   SER  12           HG       SER  12   6.297 -10.463   6.928
   80    H    VAL  13           HN       VAL  13   4.199  -8.732   7.746
   81    HA   VAL  13           HA       VAL  13   1.726  -7.224   7.915
   82    HB   VAL  13           HB       VAL  13   3.905  -7.686   9.961
   83   1HG1  VAL  13          HG11      VAL  13   2.809  -5.717  10.627
   84   2HG1  VAL  13          HG12      VAL  13   2.056  -7.006  11.566
   85   3HG1  VAL  13          HG13      VAL  13   1.227  -6.341  10.158
   86   1HG2  VAL  13          HG21      VAL  13   1.264  -9.046   9.478
   87   2HG2  VAL  13          HG22      VAL  13   2.178  -9.202  10.979
   88   3HG2  VAL  13          HG23      VAL  13   2.874  -9.765   9.459
   89    H    CYS  14           HN       CYS  14   1.552  -5.093   7.661
   90    HA   CYS  14           HA       CYS  14   3.894  -3.517   7.019
   91   1HB   CYS  14          HB2       CYS  14   1.694  -3.307   5.812
   92   2HB   CYS  14          HB1       CYS  14   1.008  -2.632   7.282
   93    H    ILE  15           HN       ILE  15   5.105  -3.024   8.777
   94    HA   ILE  15           HA       ILE  15   3.747  -2.188  11.231
   95    HB   ILE  15           HB       ILE  15   6.684  -2.745  10.777
   96   1HG1  ILE  15          HG12      ILE  15   4.567  -4.463  12.095
   97   2HG1  ILE  15          HG11      ILE  15   5.241  -4.745  10.494
   98   1HG2  ILE  15          HG21      ILE  15   6.810  -2.795  13.235
   99   2HG2  ILE  15          HG22      ILE  15   5.116  -2.309  13.318
  100   3HG2  ILE  15          HG23      ILE  15   6.315  -1.216  12.625
  101   1HD1  ILE  15          HD11      ILE  15   6.605  -4.979  13.153
  102   2HD1  ILE  15          HD12      ILE  15   7.495  -4.917  11.632
  103   3HD1  ILE  15          HD13      ILE  15   6.351  -6.225  11.932
  104    H    ASN  16           HN       ASN  16   6.433  -1.106   9.162
  105    HA   ASN  16           HA       ASN  16   6.063   1.605  10.208
  106   1HB   ASN  16          HB2       ASN  16   8.354   0.467  10.226
  107   2HB   ASN  16          HB1       ASN  16   8.347   0.656   8.476
  108   1HD2  ASN  16          HD21      ASN  16   9.358   1.994  11.288
  109   2HD2  ASN  16          HD22      ASN  16   9.565   3.630  10.779
  110    H    LYS  17           HN       LYS  17   5.694   3.334   8.855
  111    HA   LYS  17           HA       LYS  17   4.151   2.832   6.545
  112   1HB   LYS  17          HB2       LYS  17   3.752   4.764   7.975
  113   2HB   LYS  17          HB1       LYS  17   5.341   5.407   7.589
  114   1HG   LYS  17          HG2       LYS  17   4.670   5.721   5.271
  115   2HG   LYS  17          HG1       LYS  17   3.086   5.030   5.626
  116   1HD   LYS  17          HD2       LYS  17   2.533   6.847   7.070
  117   2HD   LYS  17          HD1       LYS  17   4.183   7.468   7.016
  118   1HE   LYS  17          HE2       LYS  17   2.737   8.810   5.606
  119   2HE   LYS  17          HE1       LYS  17   3.912   7.942   4.622
  120   1HZ   LYS  17          HZ1       LYS  17   1.014   7.527   4.842
  121   2HZ   LYS  17          HZ2       LYS  17   1.999   6.217   4.425
  122   3HZ   LYS  17          HZ3       LYS  17   1.984   7.608   3.458
  123    H    LYS  18           HN       LYS  18   7.532   3.710   7.001
  124    HA   LYS  18           HA       LYS  18   8.180   4.628   4.476
  125   1HB   LYS  18          HB2       LYS  18   9.879   2.982   6.350
  126   2HB   LYS  18          HB1       LYS  18  10.494   3.817   4.931
  127   1HG   LYS  18          HG2       LYS  18   9.159   5.133   7.289
  128   2HG   LYS  18          HG1       LYS  18  10.897   5.071   6.993
  129   1HD   LYS  18          HD2       LYS  18  10.575   6.309   4.899
  130   2HD   LYS  18          HD1       LYS  18   8.841   6.382   5.214
  131   1HE   LYS  18          HE2       LYS  18   9.902   8.470   5.849
  132   2HE   LYS  18          HE1       LYS  18   9.277   7.641   7.273
  133   1HZ   LYS  18          HZ1       LYS  18  11.294   7.689   8.151
  134   2HZ   LYS  18          HZ2       LYS  18  11.884   8.514   6.798
  135   3HZ   LYS  18          HZ3       LYS  18  11.927   6.824   6.841
  136    HA   PRO  19           HA       PRO  19   9.284  -0.020   3.081
  137   1HB   PRO  19          HB2       PRO  19   7.164  -1.257   4.799
  138   2HB   PRO  19          HB1       PRO  19   8.688  -1.953   4.243
  139   1HG   PRO  19          HG2       PRO  19   8.485  -1.103   6.726
  140   2HG   PRO  19          HG1       PRO  19   9.947  -0.727   5.792
  141   1HD   PRO  19          HD2       PRO  19   7.632   1.035   6.482
  142   2HD   PRO  19          HD1       PRO  19   9.363   1.424   6.409
  143    H    CYS  20           HN       CYS  20   5.998   0.692   4.196
  144    HA   CYS  20           HA       CYS  20   4.651  -0.422   1.990
  145   1HB   CYS  20          HB2       CYS  20   3.631   0.113   4.216
  146   2HB   CYS  20          HB1       CYS  20   3.711   1.821   3.801
  147    H    VAL  21           HN       VAL  21   5.451   2.983   2.749
  148    HA   VAL  21           HA       VAL  21   4.445   4.112   0.396
  149    HB   VAL  21           HB       VAL  21   6.774   5.057   2.082
  150   1HG1  VAL  21          HG11      VAL  21   6.363   5.954  -0.381
  151   2HG1  VAL  21          HG12      VAL  21   6.835   7.029   0.935
  152   3HG1  VAL  21          HG13      VAL  21   5.144   6.925   0.445
  153   1HG2  VAL  21          HG21      VAL  21   4.672   6.727   2.567
  154   2HG2  VAL  21          HG22      VAL  21   5.140   5.364   3.584
  155   3HG2  VAL  21          HG23      VAL  21   3.866   5.169   2.380
  156    H    ALA  22           HN       ALA  22   7.545   2.603   1.095
  157    HA   ALA  22           HA       ALA  22   8.900   3.331  -1.262
  158   1HB   ALA  22          HB1       ALA  22   9.359   1.605   0.968
  159   2HB   ALA  22          HB2       ALA  22  10.526   2.288  -0.164
  160   3HB   ALA  22          HB3       ALA  22   9.753   0.743  -0.519
  161    H    CYS  23           HN       CYS  23   6.843   0.535  -0.491
  162    HA   CYS  23           HA       CYS  23   7.135  -0.689  -3.041
  163   1HB   CYS  23          HB2       CYS  23   6.244  -1.812  -0.928
  164   2HB   CYS  23          HB1       CYS  23   4.725  -0.994  -1.264
  165    H    CYS  24           HN       CYS  24   4.744   1.446  -1.615
  166    HA   CYS  24           HA       CYS  24   2.951   1.473  -3.749
  167   1HB   CYS  24          HB2       CYS  24   3.546   3.632  -1.725
  168   2HB   CYS  24          HB1       CYS  24   2.134   3.599  -2.781
  169    H    LYS  25           HN       LYS  25   5.768   3.588  -3.142
  170    HA   LYS  25           HA       LYS  25   5.273   5.201  -5.416
  171   1HB   LYS  25          HB2       LYS  25   7.519   6.080  -5.136
  172   2HB   LYS  25          HB1       LYS  25   6.689   5.994  -3.592
  173   1HG   LYS  25          HG2       LYS  25   7.928   3.935  -3.069
  174   2HG   LYS  25          HG1       LYS  25   8.795   4.095  -4.599
  175   1HD   LYS  25          HD2       LYS  25  10.121   4.973  -2.748
  176   2HD   LYS  25          HD1       LYS  25   9.677   6.260  -3.870
  177   1HE   LYS  25          HE2       LYS  25   7.830   6.897  -2.376
  178   2HE   LYS  25          HE1       LYS  25   8.322   5.636  -1.248
  179   1HZ   LYS  25          HZ1       LYS  25  10.181   7.774  -2.089
  180   2HZ   LYS  25          HZ2       LYS  25  10.281   6.764  -0.736
  181   3HZ   LYS  25          HZ3       LYS  25   9.114   7.987  -0.793
  182    H    LYS  26           HN       LYS  26   7.168   2.214  -4.987
  183    HA   LYS  26           HA       LYS  26   8.267   2.332  -7.619
  184   1HB   LYS  26          HB2       LYS  26   8.924  -0.017  -7.306
  185   2HB   LYS  26          HB1       LYS  26   9.390   0.980  -5.941
  186   1HG   LYS  26          HG2       LYS  26   8.616  -0.895  -4.891
  187   2HG   LYS  26          HG1       LYS  26   7.167   0.107  -4.900
  188   1HD   LYS  26          HD2       LYS  26   6.232  -1.801  -5.694
  189   2HD   LYS  26          HD1       LYS  26   6.822  -1.169  -7.231
  190   1HE   LYS  26          HE2       LYS  26   7.448  -3.468  -7.099
  191   2HE   LYS  26          HE1       LYS  26   8.907  -2.501  -6.888
  192   1HZ   LYS  26          HZ1       LYS  26   7.432  -4.098  -4.894
  193   2HZ   LYS  26          HZ2       LYS  26   8.356  -2.772  -4.387
  194   3HZ   LYS  26          HZ3       LYS  26   9.094  -4.048  -5.214
  195    H    ALA  27           HN       ALA  27   5.215   1.438  -6.359
  196    HA   ALA  27           HA       ALA  27   4.451   0.030  -8.812
  197   1HB   ALA  27          HB1       ALA  27   3.680  -0.192  -6.088
  198   2HB   ALA  27          HB2       ALA  27   3.163  -1.173  -7.460
  199   3HB   ALA  27          HB3       ALA  27   2.259   0.277  -7.022
  200    H    LYS  28           HN       LYS  28   4.857   3.054  -8.099
  201    HA   LYS  28           HA       LYS  28   4.127   5.037  -8.861
  202   1HB   LYS  28          HB2       LYS  28   3.932   3.639 -10.988
  203   2HB   LYS  28          HB1       LYS  28   2.204   3.586 -10.666
  204   1HG   LYS  28          HG2       LYS  28   2.049   5.982 -10.830
  205   2HG   LYS  28          HG1       LYS  28   3.801   6.120 -10.990
  206   1HD   LYS  28          HD2       LYS  28   3.674   4.816 -13.088
  207   2HD   LYS  28          HD1       LYS  28   1.916   4.790 -12.937
  208   1HE   LYS  28          HE2       LYS  28   1.848   7.217 -13.068
  209   2HE   LYS  28          HE1       LYS  28   3.608   7.279 -13.146
  210   1HZ   LYS  28          HZ1       LYS  28   2.215   5.669 -15.151
  211   2HZ   LYS  28          HZ2       LYS  28   3.631   6.583 -15.293
  212   3HZ   LYS  28          HZ3       LYS  28   2.124   7.352 -15.300
  213    H    PHE  29           HN       PHE  29   3.113   4.581  -6.517
  214    HA   PHE  29           HA       PHE  29   0.311   5.483  -6.696
  215   1HB   PHE  29          HB2       PHE  29   1.553   3.644  -4.646
  216   2HB   PHE  29          HB1       PHE  29   0.088   4.552  -4.308
  217    HD1  PHE  29           HD1      PHE  29  -1.964   3.660  -4.828
  218    HD2  PHE  29           HD2      PHE  29   1.503   2.120  -6.752
  219    HE1  PHE  29           HE1      PHE  29  -3.320   1.865  -5.821
  220    HE2  PHE  29           HE2      PHE  29   0.152   0.326  -7.756
  221    HZ   PHE  29           HZ       PHE  29  -2.262   0.195  -7.290
  222    H    SER  30           HN       SER  30  -0.259   7.169  -5.302
  223    HA   SER  30           HA       SER  30   1.733   9.068  -4.837
  224   1HB   SER  30          HB2       SER  30  -1.018   9.048  -3.605
  225   2HB   SER  30          HB1       SER  30  -0.017  10.452  -3.988
  226    HG   SER  30           HG       SER  30  -1.545  10.189  -5.626
  227    H    ASP  31           HN       ASP  31   0.002   6.995  -2.502
  228    HA   ASP  31           HA       ASP  31   2.251   7.241  -0.690
  229   1HB   ASP  31          HB2       ASP  31   0.953   9.225  -0.090
  230   2HB   ASP  31          HB1       ASP  31  -0.486   8.235   0.136
  231    H    GLY  32           HN       GLY  32   2.229   5.764   1.042
  232   1HA   GLY  32          HA2       GLY  32   0.293   3.557   0.711
  233   2HA   GLY  32          HA1       GLY  32   1.998   3.296   1.060
  234    H    HIS  33           HN       HIS  33  -0.573   2.640   2.513
  235    HA   HIS  33           HA       HIS  33   0.380   3.526   5.129
  236   1HB   HIS  33          HB2       HIS  33  -1.855   4.212   5.853
  237   2HB   HIS  33          HB1       HIS  33  -1.315   5.178   4.490
  238    HD1  HIS  33           HD1      HIS  33  -3.846   2.604   5.468
  239    HD2  HIS  33           HD2      HIS  33  -2.811   4.825   2.115
  240    HE1  HIS  33           HE1      HIS  33  -5.732   2.291   3.838
  241    H    CYS  34           HN       CYS  34   0.134   2.050   6.695
  242    HA   CYS  34           HA       CYS  34  -0.547  -0.619   5.980
  243   1HB   CYS  34          HB2       CYS  34  -0.199   0.478   8.776
  244   2HB   CYS  34          HB1       CYS  34   0.001  -1.189   8.251
  245    H    SER  35           HN       SER  35  -2.417  -1.760   6.352
  246    HA   SER  35           HA       SER  35  -4.758  -0.207   6.999
  247   1HB   SER  35          HB2       SER  35  -5.946  -2.418   6.555
  248   2HB   SER  35          HB1       SER  35  -5.061  -1.715   5.202
  249    HG   SER  35           HG       SER  35  -3.494  -3.210   5.421
  250    H    LYS  36           HN       LYS  36  -6.459  -1.320   8.418
  251    HA   LYS  36           HA       LYS  36  -5.246  -1.754  11.018
  252   1HB   LYS  36          HB2       LYS  36  -7.020  -0.163  10.992
  253   2HB   LYS  36          HB1       LYS  36  -8.077  -1.253  10.106
  254   1HG   LYS  36          HG2       LYS  36  -8.233  -2.712  12.037
  255   2HG   LYS  36          HG1       LYS  36  -7.122  -1.672  12.932
  256   1HD   LYS  36          HD2       LYS  36  -9.800  -0.799  11.845
  257   2HD   LYS  36          HD1       LYS  36  -9.507  -1.297  13.512
  258   1HE   LYS  36          HE2       LYS  36  -7.871   0.529  13.745
  259   2HE   LYS  36          HE1       LYS  36  -8.224   1.039  12.095
  260   1HZ   LYS  36          HZ1       LYS  36 -10.116   2.026  12.725
  261   2HZ   LYS  36          HZ2       LYS  36  -9.460   1.985  14.284
  262   3HZ   LYS  36          HZ3       LYS  36 -10.546   0.786  13.794
  263    H    ILE  37           HN       ILE  37  -7.067  -3.518   8.618
  264    HA   ILE  37           HA       ILE  37  -7.864  -5.692  10.228
  265    HB   ILE  37           HB       ILE  37  -7.324  -6.030   7.309
  266   1HG1  ILE  37          HG12      ILE  37  -9.784  -4.639   8.371
  267   2HG1  ILE  37          HG11      ILE  37  -8.406  -3.773   7.695
  268   1HG2  ILE  37          HG21      ILE  37  -9.640  -7.167   7.593
  269   2HG2  ILE  37          HG22      ILE  37  -9.260  -7.111   9.314
  270   3HG2  ILE  37          HG23      ILE  37  -8.198  -7.977   8.203
  271   1HD1  ILE  37          HD11      ILE  37  -8.864  -5.506   5.702
  272   2HD1  ILE  37          HD12      ILE  37  -9.626  -3.916   5.809
  273   3HD1  ILE  37          HD13      ILE  37 -10.499  -5.350   6.351
  274    H    LEU  38           HN       LEU  38  -6.198  -6.830   7.497
  275    HA   LEU  38           HA       LEU  38  -4.564  -8.581   9.038
  276   1HB   LEU  38          HB2       LEU  38  -5.591  -9.049   6.777
  277   2HB   LEU  38          HB1       LEU  38  -4.356  -8.022   6.087
  278    HG   LEU  38           HG       LEU  38  -2.621  -9.514   6.985
  279   1HD1  LEU  38          HD11      LEU  38  -3.031 -11.138   8.449
  280   2HD1  LEU  38          HD12      LEU  38  -4.351 -11.783   7.473
  281   3HD1  LEU  38          HD13      LEU  38  -4.655 -10.467   8.608
  282   1HD2  LEU  38          HD21      LEU  38  -4.709 -10.804   5.235
  283   2HD2  LEU  38          HD22      LEU  38  -3.069 -11.416   5.453
  284   3HD2  LEU  38          HD23      LEU  38  -3.330  -9.838   4.711
  285    H    ARG  39           HN       ARG  39  -4.205  -5.459   8.571
  286    HA   ARG  39           HA       ARG  39  -2.542  -3.947   8.744
  287   1HB   ARG  39          HB2       ARG  39  -1.903  -5.617  10.580
  288   2HB   ARG  39          HB1       ARG  39  -0.696  -6.221   9.454
  289   1HG   ARG  39          HG2       ARG  39   0.322  -4.666  10.967
  290   2HG   ARG  39          HG1       ARG  39   0.288  -3.968   9.346
  291   1HD   ARG  39          HD2       ARG  39  -1.789  -2.747  10.002
  292   2HD   ARG  39          HD1       ARG  39  -1.551  -3.334  11.648
  293    HE   ARG  39           HE       ARG  39   0.812  -2.087  10.763
  294   1HH1  ARG  39          HH11      ARG  39  -2.474  -1.275  11.634
  295   2HH1  ARG  39          HH12      ARG  39  -2.075   0.313  12.202
  296   1HH2  ARG  39          HH21      ARG  39   1.358   0.008  11.496
  297   2HH2  ARG  39          HH22      ARG  39   0.121   1.048  12.121
  298    H    ARG  40           HN       ARG  40  -3.071  -5.217   6.222
  299    HA   ARG  40           HA       ARG  40  -0.578  -5.674   4.868
  300   1HB   ARG  40          HB2       ARG  40  -3.426  -5.356   3.981
  301   2HB   ARG  40          HB1       ARG  40  -2.124  -5.341   2.801
  302   1HG   ARG  40          HG2       ARG  40  -1.415  -7.559   3.603
  303   2HG   ARG  40          HG1       ARG  40  -2.796  -7.570   4.703
  304   1HD   ARG  40          HD2       ARG  40  -4.340  -7.526   2.883
  305   2HD   ARG  40          HD1       ARG  40  -3.048  -7.232   1.720
  306    HE   ARG  40           HE       ARG  40  -3.879  -9.749   2.781
  307   1HH1  ARG  40          HH11      ARG  40  -1.185  -7.992   1.397
  308   2HH1  ARG  40          HH12      ARG  40  -0.280  -9.411   0.986
  309   1HH2  ARG  40          HH21      ARG  40  -2.686 -11.648   2.242
  310   2HH2  ARG  40          HH22      ARG  40  -1.140 -11.497   1.474
  311    H    CYS  41           HN       CYS  41   0.324  -4.335   3.218
  312    HA   CYS  41           HA       CYS  41   0.264  -1.531   3.863
  313   1HB   CYS  41          HB2       CYS  41   2.406  -2.343   3.299
  314   2HB   CYS  41          HB1       CYS  41   1.800  -3.221   1.900
  315    H    LEU  42           HN       LEU  42  -1.457  -0.389   3.185
  316    HA   LEU  42           HA       LEU  42  -2.682  -1.019   0.609
  317   1HB   LEU  42          HB2       LEU  42  -3.505   0.466   3.048
  318   2HB   LEU  42          HB1       LEU  42  -4.191   1.002   1.526
  319    HG   LEU  42           HG       LEU  42  -5.104  -1.259   1.157
  320   1HD1  LEU  42          HD11      LEU  42  -4.660  -2.132   3.915
  321   2HD1  LEU  42          HD12      LEU  42  -3.215  -2.121   2.903
  322   3HD1  LEU  42          HD13      LEU  42  -4.631  -3.050   2.410
  323   1HD2  LEU  42          HD21      LEU  42  -6.814  -0.150   2.089
  324   2HD2  LEU  42          HD22      LEU  42  -5.820   0.483   3.401
  325   3HD2  LEU  42          HD23      LEU  42  -6.473  -1.152   3.500
  326    H    CYS  43           HN       CYS  43  -2.146   0.058  -1.158
  327    HA   CYS  43           HA       CYS  43  -0.750   2.610  -0.879
  328   1HB   CYS  43          HB2       CYS  43  -1.100   0.795  -3.275
  329   2HB   CYS  43          HB1       CYS  43  -0.215   2.313  -3.287
  330    H    THR  44           HN       THR  44  -1.634   4.489  -1.524
  331    HA   THR  44           HA       THR  44  -4.250   4.358  -2.866
  332    HB   THR  44           HB       THR  44  -4.649   6.547  -1.429
  333    HG1  THR  44           HG1      THR  44  -2.489   6.229  -0.435
  334   1HG2  THR  44          HG21      THR  44  -5.675   4.048  -1.413
  335   2HG2  THR  44          HG22      THR  44  -6.190   5.326  -0.312
  336   3HG2  THR  44          HG23      THR  44  -5.010   4.127   0.218
  337    H    LYS  45           HN       LYS  45  -4.696   5.886  -4.352
  338    HA   LYS  45           HA       LYS  45  -3.098   8.239  -4.699
  339   1HB   LYS  45          HB2       LYS  45  -2.229   7.723  -6.911
  340   2HB   LYS  45          HB1       LYS  45  -1.608   6.576  -5.736
  341   1HG   LYS  45          HG2       LYS  45  -3.235   4.915  -6.500
  342   2HG   LYS  45          HG1       LYS  45  -3.848   6.073  -7.687
  343   1HD   LYS  45          HD2       LYS  45  -1.696   6.145  -8.784
  344   2HD   LYS  45          HD1       LYS  45  -0.998   5.097  -7.550
  345   1HE   LYS  45          HE2       LYS  45  -2.658   3.346  -8.243
  346   2HE   LYS  45          HE1       LYS  45  -3.088   4.390  -9.599
  347   1HZ   LYS  45          HZ1       LYS  45  -0.990   2.571  -9.453
  348   2HZ   LYS  45          HZ2       LYS  45  -0.283   4.109  -9.477
  349   3HZ   LYS  45          HZ3       LYS  45  -1.342   3.642 -10.714
  350    H    GLU  46           HN       GLU  46  -3.929   9.597  -6.411
  351    HA   GLU  46           HA       GLU  46  -6.780   9.330  -6.619
  352   1HB   GLU  46          HB2       GLU  46  -6.589  11.484  -7.921
  353   2HB   GLU  46          HB1       GLU  46  -5.978  11.536  -6.276
  354   1HG   GLU  46          HG2       GLU  46  -4.069  10.962  -8.484
  355   2HG   GLU  46          HG1       GLU  46  -4.656  12.609  -8.277
  356    H    CYS  47           HN       CYS  47  -7.998   9.102  -8.471
  357    HA   CYS  47           HA       CYS  47  -6.866   8.716 -11.054
  358   1HB   CYS  47          HB2       CYS  47  -7.501   6.356 -11.320
  359   2HB   CYS  47          HB1       CYS  47  -6.271   6.546 -10.076
  Start of MODEL    6
    1   1H    ALA   1          HT1       ALA   1 -11.120  10.320  -8.812
    2   2H    ALA   1          HT2       ALA   1 -11.230  11.950  -8.376
    3   3H    ALA   1          HT3       ALA   1 -10.654  10.815  -7.262
    4    HA   ALA   1           HA       ALA   1  -9.215  10.881  -9.742
    5   1HB   ALA   1          HB1       ALA   1  -7.937  12.960  -8.761
    6   2HB   ALA   1          HB2       ALA   1  -9.511  13.314  -8.049
    7   3HB   ALA   1          HB3       ALA   1  -9.347  13.170  -9.800
    8    H    THR   2           HN       THR   2  -9.472   9.019  -7.668
    9    HA   THR   2           HA       THR   2  -6.729   8.867  -6.761
   10    HB   THR   2           HB       THR   2  -8.952   8.600  -4.726
   11    HG1  THR   2           HG1      THR   2  -7.338  10.825  -5.429
   12   1HG2  THR   2          HG21      THR   2  -7.302   7.561  -3.614
   13   2HG2  THR   2          HG22      THR   2  -6.589   9.164  -3.427
   14   3HG2  THR   2          HG23      THR   2  -6.072   8.117  -4.750
   15    H    CYS   3           HN       CYS   3  -6.082   6.821  -7.098
   16    HA   CYS   3           HA       CYS   3  -8.164   4.739  -7.173
   17   1HB   CYS   3          HB2       CYS   3  -5.745   5.181  -8.893
   18   2HB   CYS   3          HB1       CYS   3  -6.449   3.572  -8.733
   19    H    LYS   4           HN       LYS   4  -7.949   2.982  -5.982
   20    HA   LYS   4           HA       LYS   4  -5.459   2.625  -4.437
   21   1HB   LYS   4          HB2       LYS   4  -7.596   3.213  -3.176
   22   2HB   LYS   4          HB1       LYS   4  -8.233   1.661  -3.686
   23   1HG   LYS   4          HG2       LYS   4  -5.721   1.978  -2.054
   24   2HG   LYS   4          HG1       LYS   4  -7.321   1.737  -1.358
   25   1HD   LYS   4          HD2       LYS   4  -5.897  -0.167  -3.223
   26   2HD   LYS   4          HD1       LYS   4  -6.061  -0.361  -1.478
   27   1HE   LYS   4          HE2       LYS   4  -8.432  -0.617  -1.661
   28   2HE   LYS   4          HE1       LYS   4  -8.401  -0.175  -3.368
   29   1HZ   LYS   4          HZ1       LYS   4  -7.089  -2.193  -3.794
   30   2HZ   LYS   4          HZ2       LYS   4  -8.601  -2.550  -3.134
   31   3HZ   LYS   4          HZ3       LYS   4  -7.216  -2.631  -2.163
   32    H    ALA   5           HN       ALA   5  -4.382   0.825  -4.744
   33    HA   ALA   5           HA       ALA   5  -5.647  -1.660  -5.447
   34   1HB   ALA   5          HB1       ALA   5  -3.643  -0.532  -7.401
   35   2HB   ALA   5          HB2       ALA   5  -5.387  -0.470  -7.655
   36   3HB   ALA   5          HB3       ALA   5  -4.567  -2.027  -7.545
   37    H    GLU   6           HN       GLU   6  -4.546  -3.192  -4.379
   38    HA   GLU   6           HA       GLU   6  -2.240  -2.575  -2.904
   39   1HB   GLU   6          HB2       GLU   6  -3.403  -5.287  -3.597
   40   2HB   GLU   6          HB1       GLU   6  -2.126  -5.014  -2.435
   41   1HG   GLU   6          HG2       GLU   6  -4.070  -5.250  -1.169
   42   2HG   GLU   6          HG1       GLU   6  -3.718  -3.528  -1.180
   43    H    CYS   7           HN       CYS   7  -0.115  -3.096  -3.209
   44    HA   CYS   7           HA       CYS   7   0.933  -2.875  -5.755
   45   1HB   CYS   7          HB2       CYS   7   2.210  -2.543  -3.625
   46   2HB   CYS   7          HB1       CYS   7   2.305  -4.294  -3.461
   47    HA   PRO   8           HA       PRO   8  -0.013  -6.713  -7.763
   48   1HB   PRO   8          HB2       PRO   8   2.498  -6.058  -9.235
   49   2HB   PRO   8          HB1       PRO   8   0.903  -6.487  -9.865
   50   1HG   PRO   8          HG2       PRO   8   1.743  -3.964  -9.920
   51   2HG   PRO   8          HG1       PRO   8   0.055  -4.351  -9.538
   52   1HD   PRO   8          HD2       PRO   8   2.266  -3.508  -7.721
   53   2HD   PRO   8          HD1       PRO   8   0.534  -3.126  -7.647
   54    H    THR   9           HN       THR   9   3.361  -6.016  -6.908
   55    HA   THR   9           HA       THR   9   3.897  -8.864  -6.600
   56    HB   THR   9           HB       THR   9   6.238  -8.114  -6.112
   57    HG1  THR   9           HG1      THR   9   5.287  -5.870  -5.546
   58   1HG2  THR   9          HG21      THR   9   4.900  -8.247  -8.549
   59   2HG2  THR   9          HG22      THR   9   6.645  -8.293  -8.301
   60   3HG2  THR   9          HG23      THR   9   5.844  -6.759  -8.642
   61    H    TRP  10           HN       TRP  10   2.024  -8.142  -4.821
   62    HA   TRP  10           HA       TRP  10   3.399  -8.492  -2.301
   63   1HB   TRP  10          HB2       TRP  10   3.137  -5.967  -2.744
   64   2HB   TRP  10          HB1       TRP  10   1.413  -6.234  -2.499
   65    HD1  TRP  10           HD1      TRP  10   0.775  -7.364  -0.008
   66    HE1  TRP  10           HE1      TRP  10   1.842  -6.849   2.290
   67    HE3  TRP  10           HE3      TRP  10   5.131  -5.229  -1.605
   68    HZ2  TRP  10           HZ2      TRP  10   4.232  -5.654   3.277
   69    HZ3  TRP  10           HZ3      TRP  10   6.741  -4.418   0.065
   70    HH2  TRP  10           HH2      TRP  10   6.298  -4.629   2.453
   71    H    ASP  11           HN       ASP  11   2.247  -9.694  -0.939
   72    HA   ASP  11           HA       ASP  11  -0.632  -9.957  -1.195
   73   1HB   ASP  11          HB2       ASP  11  -0.470 -12.457  -1.309
   74   2HB   ASP  11          HB1       ASP  11   0.093 -11.644  -2.764
   75    H    SER  12           HN       SER  12   2.347 -10.578   0.428
   76    HA   SER  12           HA       SER  12   1.307 -11.863   2.714
   77   1HB   SER  12          HB2       SER  12   3.925 -10.394   2.384
   78   2HB   SER  12          HB1       SER  12   3.542 -11.596   3.618
   79    HG   SER  12           HG       SER  12   3.062 -12.498   1.067
   80    H    VAL  13           HN       VAL  13   1.907 -10.951   4.927
   81    HA   VAL  13           HA       VAL  13   0.294  -8.625   5.377
   82    HB   VAL  13           HB       VAL  13   1.884 -10.392   7.250
   83   1HG1  VAL  13          HG11      VAL  13   0.512  -9.349   9.052
   84   2HG1  VAL  13          HG12      VAL  13  -0.006  -8.136   7.882
   85   3HG1  VAL  13          HG13      VAL  13   1.697  -8.267   8.320
   86   1HG2  VAL  13          HG21      VAL  13  -0.826 -10.479   6.124
   87   2HG2  VAL  13          HG22      VAL  13  -0.727 -10.763   7.862
   88   3HG2  VAL  13          HG23      VAL  13   0.190 -11.778   6.749
   89    H    CYS  14           HN       CYS  14   0.945  -6.599   5.688
   90    HA   CYS  14           HA       CYS  14   3.753  -5.949   5.436
   91   1HB   CYS  14          HB2       CYS  14   2.499  -4.466   4.184
   92   2HB   CYS  14          HB1       CYS  14   1.192  -4.411   5.364
   93    H    ILE  15           HN       ILE  15   5.066  -5.184   6.984
   94    HA   ILE  15           HA       ILE  15   4.006  -5.087   9.712
   95    HB   ILE  15           HB       ILE  15   6.878  -5.249   8.764
   96   1HG1  ILE  15          HG12      ILE  15   6.645  -7.503  10.083
   97   2HG1  ILE  15          HG11      ILE  15   4.925  -7.290   9.782
   98   1HG2  ILE  15          HG21      ILE  15   6.076  -5.714  11.593
   99   2HG2  ILE  15          HG22      ILE  15   6.242  -4.057  11.014
  100   3HG2  ILE  15          HG23      ILE  15   7.614  -5.162  10.930
  101   1HD1  ILE  15          HD11      ILE  15   5.356  -8.449   7.921
  102   2HD1  ILE  15          HD12      ILE  15   7.079  -8.074   7.963
  103   3HD1  ILE  15          HD13      ILE  15   5.938  -6.905   7.300
  104    H    ASN  16           HN       ASN  16   6.182  -3.294   7.546
  105    HA   ASN  16           HA       ASN  16   5.529  -0.841   9.032
  106   1HB   ASN  16          HB2       ASN  16   7.813  -1.453   9.507
  107   2HB   ASN  16          HB1       ASN  16   8.160  -1.680   7.799
  108   1HD2  ASN  16          HD21      ASN  16   9.773  -0.237   7.622
  109   2HD2  ASN  16          HD22      ASN  16   9.588   1.463   7.853
  110    H    LYS  17           HN       LYS  17   5.379   1.088   7.839
  111    HA   LYS  17           HA       LYS  17   4.050   0.878   5.377
  112   1HB   LYS  17          HB2       LYS  17   3.591   2.691   6.899
  113   2HB   LYS  17          HB1       LYS  17   5.244   3.271   6.779
  114   1HG   LYS  17          HG2       LYS  17   4.874   3.849   4.430
  115   2HG   LYS  17          HG1       LYS  17   3.214   3.261   4.550
  116   1HD   LYS  17          HD2       LYS  17   2.615   4.981   6.064
  117   2HD   LYS  17          HD1       LYS  17   4.298   5.429   6.334
  118   1HE   LYS  17          HE2       LYS  17   3.257   7.073   4.913
  119   2HE   LYS  17          HE1       LYS  17   4.444   6.168   3.980
  120   1HZ   LYS  17          HZ1       LYS  17   2.407   4.749   3.310
  121   2HZ   LYS  17          HZ2       LYS  17   2.644   6.253   2.567
  122   3HZ   LYS  17          HZ3       LYS  17   1.508   6.093   3.807
  123    H    LYS  18           HN       LYS  18   7.446   1.573   6.081
  124    HA   LYS  18           HA       LYS  18   8.252   2.703   3.702
  125   1HB   LYS  18          HB2       LYS  18   9.706   0.887   5.594
  126   2HB   LYS  18          HB1       LYS  18  10.485   1.482   4.135
  127   1HG   LYS  18          HG2       LYS  18   9.299   3.220   6.292
  128   2HG   LYS  18          HG1       LYS  18  11.012   2.830   6.123
  129   1HD   LYS  18          HD2       LYS  18  10.901   3.825   3.813
  130   2HD   LYS  18          HD1       LYS  18   9.280   4.393   4.214
  131   1HE   LYS  18          HE2       LYS  18  11.801   5.091   5.718
  132   2HE   LYS  18          HE1       LYS  18  10.999   6.128   4.541
  133   1HZ   LYS  18          HZ1       LYS  18   9.287   5.185   6.666
  134   2HZ   LYS  18          HZ2       LYS  18   9.456   6.738   6.020
  135   3HZ   LYS  18          HZ3       LYS  18  10.548   6.185   7.186
  136    HA   PRO  19           HA       PRO  19   9.146  -1.800   1.788
  137   1HB   PRO  19          HB2       PRO  19   6.908  -3.115   3.282
  138   2HB   PRO  19          HB1       PRO  19   8.413  -3.821   2.688
  139   1HG   PRO  19          HG2       PRO  19   8.160  -3.266   5.253
  140   2HG   PRO  19          HG1       PRO  19   9.676  -2.874   4.416
  141   1HD   PRO  19          HD2       PRO  19   7.449  -1.064   5.253
  142   2HD   PRO  19          HD1       PRO  19   9.200  -0.779   5.269
  143    H    CYS  20           HN       CYS  20   5.890  -0.968   2.896
  144    HA   CYS  20           HA       CYS  20   4.500  -1.744   0.584
  145   1HB   CYS  20          HB2       CYS  20   3.443  -1.332   2.787
  146   2HB   CYS  20          HB1       CYS  20   3.767   0.388   2.606
  147    H    VAL  21           HN       VAL  21   5.601   1.480   1.643
  148    HA   VAL  21           HA       VAL  21   4.745   2.921  -0.588
  149    HB   VAL  21           HB       VAL  21   7.168   3.450   1.150
  150   1HG1  VAL  21          HG11      VAL  21   6.584   4.664  -1.239
  151   2HG1  VAL  21          HG12      VAL  21   7.540   5.371   0.063
  152   3HG1  VAL  21          HG13      VAL  21   5.820   5.736  -0.065
  153   1HG2  VAL  21          HG21      VAL  21   5.452   3.575   2.652
  154   2HG2  VAL  21          HG22      VAL  21   4.264   4.020   1.425
  155   3HG2  VAL  21          HG23      VAL  21   5.414   5.220   2.016
  156    H    ALA  22           HN       ALA  22   7.771   1.159  -0.038
  157    HA   ALA  22           HA       ALA  22   9.109   1.968  -2.373
  158   1HB   ALA  22          HB1       ALA  22  10.702   0.449  -1.805
  159   2HB   ALA  22          HB2       ALA  22   9.525  -0.802  -1.404
  160   3HB   ALA  22          HB3       ALA  22   9.841   0.508  -0.267
  161    H    CYS  23           HN       CYS  23   6.953  -0.770  -1.743
  162    HA   CYS  23           HA       CYS  23   7.110  -1.946  -4.307
  163   1HB   CYS  23          HB2       CYS  23   6.080  -2.803  -2.032
  164   2HB   CYS  23          HB1       CYS  23   4.607  -2.076  -2.659
  165    H    CYS  24           HN       CYS  24   4.899   0.396  -2.874
  166    HA   CYS  24           HA       CYS  24   3.203   0.686  -5.103
  167   1HB   CYS  24          HB2       CYS  24   3.799   2.586  -2.834
  168   2HB   CYS  24          HB1       CYS  24   2.451   2.746  -3.951
  169    H    LYS  25           HN       LYS  25   6.140   2.422  -4.125
  170    HA   LYS  25           HA       LYS  25   5.939   4.446  -6.080
  171   1HB   LYS  25          HB2       LYS  25   8.268   3.379  -4.504
  172   2HB   LYS  25          HB1       LYS  25   8.460   4.666  -5.690
  173   1HG   LYS  25          HG2       LYS  25   6.660   4.744  -3.274
  174   2HG   LYS  25          HG1       LYS  25   8.211   5.570  -3.446
  175   1HD   LYS  25          HD2       LYS  25   7.379   7.054  -5.047
  176   2HD   LYS  25          HD1       LYS  25   5.990   6.029  -5.408
  177   1HE   LYS  25          HE2       LYS  25   5.277   7.965  -4.151
  178   2HE   LYS  25          HE1       LYS  25   5.080   6.511  -3.177
  179   1HZ   LYS  25          HZ1       LYS  25   7.389   8.360  -2.963
  180   2HZ   LYS  25          HZ2       LYS  25   7.039   7.052  -1.950
  181   3HZ   LYS  25          HZ3       LYS  25   6.030   8.410  -1.955
  182    H    LYS  26           HN       LYS  26   7.611   1.299  -6.133
  183    HA   LYS  26           HA       LYS  26   8.734   1.701  -8.709
  184   1HB   LYS  26          HB2       LYS  26   9.180  -0.696  -8.736
  185   2HB   LYS  26          HB1       LYS  26   9.606  -0.013  -7.173
  186   1HG   LYS  26          HG2       LYS  26   7.626  -0.906  -6.176
  187   2HG   LYS  26          HG1       LYS  26   7.024  -1.439  -7.744
  188   1HD   LYS  26          HD2       LYS  26   8.904  -2.996  -7.932
  189   2HD   LYS  26          HD1       LYS  26   9.499  -2.463  -6.355
  190   1HE   LYS  26          HE2       LYS  26   7.503  -3.268  -5.278
  191   2HE   LYS  26          HE1       LYS  26   6.779  -3.669  -6.833
  192   1HZ   LYS  26          HZ1       LYS  26   8.799  -5.097  -5.301
  193   2HZ   LYS  26          HZ2       LYS  26   8.982  -5.107  -6.983
  194   3HZ   LYS  26          HZ3       LYS  26   7.554  -5.693  -6.284
  195    H    ALA  27           HN       ALA  27   5.622   0.576  -7.579
  196    HA   ALA  27           HA       ALA  27   4.793  -0.319 -10.211
  197   1HB   ALA  27          HB1       ALA  27   3.918  -0.746  -7.543
  198   2HB   ALA  27          HB2       ALA  27   3.380  -1.543  -9.021
  199   3HB   ALA  27          HB3       ALA  27   2.572  -0.078  -8.465
  200    H    LYS  28           HN       LYS  28   5.322   2.611  -9.043
  201    HA   LYS  28           HA       LYS  28   4.760   4.704  -9.600
  202   1HB   LYS  28          HB2       LYS  28   4.539   3.534 -11.928
  203   2HB   LYS  28          HB1       LYS  28   2.815   3.773 -11.683
  204   1HG   LYS  28          HG2       LYS  28   4.846   6.000 -11.575
  205   2HG   LYS  28          HG1       LYS  28   3.950   5.555 -13.025
  206   1HD   LYS  28          HD2       LYS  28   1.871   6.150 -12.013
  207   2HD   LYS  28          HD1       LYS  28   2.627   6.336 -10.432
  208   1HE   LYS  28          HE2       LYS  28   3.926   8.237 -11.299
  209   2HE   LYS  28          HE1       LYS  28   3.120   8.060 -12.858
  210   1HZ   LYS  28          HZ1       LYS  28   1.264   9.036 -12.095
  211   2HZ   LYS  28          HZ2       LYS  28   2.258   9.667 -10.887
  212   3HZ   LYS  28          HZ3       LYS  28   1.336   8.285 -10.583
  213    H    PHE  29           HN       PHE  29   3.765   4.526  -7.475
  214    HA   PHE  29           HA       PHE  29   0.952   5.338  -7.650
  215   1HB   PHE  29          HB2       PHE  29   2.088   3.348  -5.685
  216   2HB   PHE  29          HB1       PHE  29   0.620   4.255  -5.349
  217    HD1  PHE  29           HD1      PHE  29  -1.447   3.609  -6.251
  218    HD2  PHE  29           HD2      PHE  29   2.134   1.788  -7.655
  219    HE1  PHE  29           HE1      PHE  29  -2.777   1.904  -7.421
  220    HE2  PHE  29           HE2      PHE  29   0.807   0.085  -8.834
  221    HZ   PHE  29           HZ       PHE  29  -1.651   0.140  -8.717
  222    H    SER  30           HN       SER  30   0.372   6.956  -6.186
  223    HA   SER  30           HA       SER  30   2.344   8.818  -5.558
  224   1HB   SER  30          HB2       SER  30  -0.380   8.649  -4.267
  225   2HB   SER  30          HB1       SER  30   0.600  10.094  -4.519
  226    HG   SER  30           HG       SER  30   0.325   9.796  -6.772
  227    H    ASP  31           HN       ASP  31   0.640   6.548  -3.424
  228    HA   ASP  31           HA       ASP  31   2.904   6.444  -1.657
  229   1HB   ASP  31          HB2       ASP  31   1.875   8.475  -0.787
  230   2HB   ASP  31          HB1       ASP  31   0.321   7.657  -0.646
  231    H    GLY  32           HN       GLY  32   2.820   4.738  -0.201
  232   1HA   GLY  32          HA2       GLY  32   0.690   2.791  -0.780
  233   2HA   GLY  32          HA1       GLY  32   2.332   2.374  -0.309
  234    H    HIS  33           HN       HIS  33  -0.547   2.013   0.801
  235    HA   HIS  33           HA       HIS  33   0.275   2.521   3.567
  236   1HB   HIS  33          HB2       HIS  33  -1.976   3.233   4.181
  237   2HB   HIS  33          HB1       HIS  33  -1.284   4.300   2.973
  238    HD1  HIS  33           HD1      HIS  33  -4.130   2.046   3.616
  239    HD2  HIS  33           HD2      HIS  33  -2.485   4.012   0.348
  240    HE1  HIS  33           HE1      HIS  33  -5.878   1.946   1.815
  241    H    CYS  34           HN       CYS  34   0.161   0.825   4.754
  242    HA   CYS  34           HA       CYS  34  -0.858  -1.641   3.739
  243   1HB   CYS  34          HB2       CYS  34   0.161  -0.989   6.510
  244   2HB   CYS  34          HB1       CYS  34   0.005  -2.596   5.799
  245    H    SER  35           HN       SER  35  -2.702  -2.716   4.278
  246    HA   SER  35           HA       SER  35  -4.828  -1.153   5.340
  247   1HB   SER  35          HB2       SER  35  -6.109  -3.373   5.075
  248   2HB   SER  35          HB1       SER  35  -5.470  -2.607   3.621
  249    HG   SER  35           HG       SER  35  -3.810  -4.072   3.580
  250    H    LYS  36           HN       LYS  36  -6.308  -3.170   6.706
  251    HA   LYS  36           HA       LYS  36  -4.739  -3.451   9.178
  252   1HB   LYS  36          HB2       LYS  36  -6.350  -1.603   9.373
  253   2HB   LYS  36          HB1       LYS  36  -7.660  -2.699   8.956
  254   1HG   LYS  36          HG2       LYS  36  -7.213  -3.996  10.987
  255   2HG   LYS  36          HG1       LYS  36  -5.918  -2.874  11.408
  256   1HD   LYS  36          HD2       LYS  36  -8.817  -2.114  11.052
  257   2HD   LYS  36          HD1       LYS  36  -8.034  -2.408  12.605
  258   1HE   LYS  36          HE2       LYS  36  -6.468  -0.572  12.147
  259   2HE   LYS  36          HE1       LYS  36  -7.278  -0.274  10.610
  260   1HZ   LYS  36          HZ1       LYS  36  -8.658  -0.139  13.232
  261   2HZ   LYS  36          HZ2       LYS  36  -9.245   0.379  11.733
  262   3HZ   LYS  36          HZ3       LYS  36  -7.970   1.208  12.473
  263    H    ILE  37           HN       ILE  37  -7.582  -4.659   7.399
  264    HA   ILE  37           HA       ILE  37  -7.945  -6.946   9.010
  265    HB   ILE  37           HB       ILE  37  -8.799  -6.549   6.134
  266   1HG1  ILE  37          HG12      ILE  37 -11.076  -6.204   7.386
  267   2HG1  ILE  37          HG11      ILE  37 -10.052  -5.806   8.760
  268   1HG2  ILE  37          HG21      ILE  37  -8.808  -8.895   6.771
  269   2HG2  ILE  37          HG22      ILE  37 -10.456  -8.293   6.593
  270   3HG2  ILE  37          HG23      ILE  37  -9.768  -8.518   8.201
  271   1HD1  ILE  37          HD11      ILE  37 -10.920  -4.087   6.775
  272   2HD1  ILE  37          HD12      ILE  37  -9.228  -4.389   6.382
  273   3HD1  ILE  37          HD13      ILE  37  -9.667  -3.770   7.975
  274    H    LEU  38           HN       LEU  38  -6.872  -6.951   5.598
  275    HA   LEU  38           HA       LEU  38  -5.546  -9.481   6.018
  276   1HB   LEU  38          HB2       LEU  38  -6.769  -8.806   3.888
  277   2HB   LEU  38          HB1       LEU  38  -5.410  -7.753   3.550
  278    HG   LEU  38           HG       LEU  38  -3.905  -9.637   3.398
  279   1HD1  LEU  38          HD11      LEU  38  -4.870 -11.050   5.125
  280   2HD1  LEU  38          HD12      LEU  38  -4.719 -11.942   3.611
  281   3HD1  LEU  38          HD13      LEU  38  -6.293 -11.333   4.122
  282   1HD2  LEU  38          HD21      LEU  38  -4.547  -9.735   1.275
  283   2HD2  LEU  38          HD22      LEU  38  -6.193  -9.273   1.708
  284   3HD2  LEU  38          HD23      LEU  38  -5.721 -10.972   1.726
  285    H    ARG  39           HN       ARG  39  -4.817  -6.191   6.165
  286    HA   ARG  39           HA       ARG  39  -2.983  -4.976   6.642
  287   1HB   ARG  39          HB2       ARG  39  -2.807  -6.686   8.440
  288   2HB   ARG  39          HB1       ARG  39  -1.762  -7.636   7.398
  289   1HG   ARG  39          HG2       ARG  39  -0.514  -6.371   9.073
  290   2HG   ARG  39          HG1       ARG  39  -0.088  -5.897   7.429
  291   1HD   ARG  39          HD2       ARG  39  -1.614  -3.962   7.640
  292   2HD   ARG  39          HD1       ARG  39  -1.913  -4.419   9.318
  293    HE   ARG  39           HE       ARG  39   0.842  -4.220   9.005
  294   1HH1  ARG  39          HH11      ARG  39  -1.926  -2.093   8.729
  295   2HH1  ARG  39          HH12      ARG  39  -1.066  -0.691   9.280
  296   1HH2  ARG  39          HH21      ARG  39   1.992  -2.375   9.720
  297   2HH2  ARG  39          HH22      ARG  39   1.174  -0.853   9.846
  298    H    ARG  40           HN       ARG  40  -3.330  -6.246   3.955
  299    HA   ARG  40           HA       ARG  40  -0.617  -6.591   3.016
  300   1HB   ARG  40          HB2       ARG  40  -1.645  -6.823   0.772
  301   2HB   ARG  40          HB1       ARG  40  -2.292  -7.951   1.952
  302   1HG   ARG  40          HG2       ARG  40  -4.281  -6.591   2.201
  303   2HG   ARG  40          HG1       ARG  40  -3.625  -5.401   1.071
  304   1HD   ARG  40          HD2       ARG  40  -3.577  -7.109  -0.686
  305   2HD   ARG  40          HD1       ARG  40  -4.249  -8.285   0.442
  306    HE   ARG  40           HE       ARG  40  -5.976  -6.091   0.347
  307   1HH1  ARG  40          HH11      ARG  40  -4.828  -8.637  -1.752
  308   2HH1  ARG  40          HH12      ARG  40  -6.261  -8.670  -2.722
  309   1HH2  ARG  40          HH21      ARG  40  -7.873  -6.112  -0.934
  310   2HH2  ARG  40          HH22      ARG  40  -8.006  -7.230  -2.250
  311    H    CYS  41           HN       CYS  41   0.199  -5.264   1.198
  312    HA   CYS  41           HA       CYS  41   0.080  -2.504   1.918
  313   1HB   CYS  41          HB2       CYS  41   2.186  -3.447   1.273
  314   2HB   CYS  41          HB1       CYS  41   1.534  -3.983  -0.271
  315    H    LEU  42           HN       LEU  42  -1.624  -1.303   1.360
  316    HA   LEU  42           HA       LEU  42  -2.869  -1.629  -1.271
  317   1HB   LEU  42          HB2       LEU  42  -3.586  -0.195   1.262
  318   2HB   LEU  42          HB1       LEU  42  -4.287   0.363  -0.243
  319    HG   LEU  42           HG       LEU  42  -5.260  -1.905  -0.578
  320   1HD1  LEU  42          HD11      LEU  42  -4.740  -3.656   0.684
  321   2HD1  LEU  42          HD12      LEU  42  -4.998  -2.749   2.174
  322   3HD1  LEU  42          HD13      LEU  42  -3.437  -2.677   1.357
  323   1HD2  LEU  42          HD21      LEU  42  -6.435  -1.459   1.972
  324   2HD2  LEU  42          HD22      LEU  42  -7.058  -1.034   0.378
  325   3HD2  LEU  42          HD23      LEU  42  -6.035   0.103   1.257
  326    H    CYS  43           HN       CYS  43  -2.265  -0.345  -2.939
  327    HA   CYS  43           HA       CYS  43  -0.636   2.002  -2.290
  328   1HB   CYS  43          HB2       CYS  43  -0.940   0.535  -4.914
  329   2HB   CYS  43          HB1       CYS  43   0.132   1.894  -4.618
  330    H    THR  44           HN       THR  44  -1.230   4.012  -2.863
  331    HA   THR  44           HA       THR  44  -3.753   4.298  -4.356
  332    HB   THR  44           HB       THR  44  -3.757   6.565  -2.934
  333    HG1  THR  44           HG1      THR  44  -1.800   5.749  -1.795
  334   1HG2  THR  44          HG21      THR  44  -4.810   4.416  -1.278
  335   2HG2  THR  44          HG22      THR  44  -5.236   4.230  -2.980
  336   3HG2  THR  44          HG23      THR  44  -5.659   5.711  -2.122
  337    H    LYS  45           HN       LYS  45  -3.827   5.881  -5.912
  338    HA   LYS  45           HA       LYS  45  -1.667   7.790  -6.159
  339   1HB   LYS  45          HB2       LYS  45  -0.915   7.106  -8.339
  340   2HB   LYS  45          HB1       LYS  45  -0.705   5.784  -7.204
  341   1HG   LYS  45          HG2       LYS  45  -2.630   4.646  -8.101
  342   2HG   LYS  45          HG1       LYS  45  -2.981   6.016  -9.164
  343   1HD   LYS  45          HD2       LYS  45  -0.990   5.671 -10.405
  344   2HD   LYS  45          HD1       LYS  45  -0.374   4.518  -9.224
  345   1HE   LYS  45          HE2       LYS  45  -2.361   3.065  -9.817
  346   2HE   LYS  45          HE1       LYS  45  -2.628   4.157 -11.179
  347   1HZ   LYS  45          HZ1       LYS  45   0.095   3.281 -10.973
  348   2HZ   LYS  45          HZ2       LYS  45  -0.950   3.249 -12.305
  349   3HZ   LYS  45          HZ3       LYS  45  -0.982   1.990 -11.177
  350    H    GLU  46           HN       GLU  46  -1.883   8.822  -8.465
  351    HA   GLU  46           HA       GLU  46  -4.480  10.036  -8.460
  352   1HB   GLU  46          HB2       GLU  46  -3.546  11.572 -10.074
  353   2HB   GLU  46          HB1       GLU  46  -2.395  11.334  -8.769
  354   1HG   GLU  46          HG2       GLU  46  -2.181   9.718 -11.265
  355   2HG   GLU  46          HG1       GLU  46  -1.589  11.374 -11.234
  356    H    CYS  47           HN       CYS  47  -5.915  10.131 -10.155
  357    HA   CYS  47           HA       CYS  47  -5.685   8.886 -12.637
  358   1HB   CYS  47          HB2       CYS  47  -7.118   6.943 -12.375
  359   2HB   CYS  47          HB1       CYS  47  -5.732   6.794 -11.302
  Start of MODEL    7
    1   1H    ALA   1          HT1       ALA   1 -12.733  10.393  -7.825
    2   2H    ALA   1          HT2       ALA   1 -12.903   9.914  -9.440
    3   3H    ALA   1          HT3       ALA   1 -13.302  11.491  -8.980
    4    HA   ALA   1           HA       ALA   1 -10.988  10.780 -10.072
    5   1HB   ALA   1          HB1       ALA   1 -12.097  13.068  -8.725
    6   2HB   ALA   1          HB2       ALA   1 -10.984  13.003 -10.091
    7   3HB   ALA   1          HB3       ALA   1 -10.359  12.963  -8.442
    8    H    THR   2           HN       THR   2 -11.272   8.790  -8.111
    9    HA   THR   2           HA       THR   2  -8.676   8.956  -6.848
   10    HB   THR   2           HB       THR   2 -11.090   8.334  -5.132
   11    HG1  THR   2           HG1      THR   2  -9.717  10.759  -5.614
   12   1HG2  THR   2          HG21      THR   2  -8.193   8.189  -4.784
   13   2HG2  THR   2          HG22      THR   2  -9.483   7.445  -3.840
   14   3HG2  THR   2          HG23      THR   2  -9.000   9.110  -3.515
   15    H    CYS   3           HN       CYS   3  -7.713   7.034  -7.112
   16    HA   CYS   3           HA       CYS   3  -9.439   4.689  -7.537
   17   1HB   CYS   3          HB2       CYS   3  -6.861   5.525  -8.830
   18   2HB   CYS   3          HB1       CYS   3  -7.322   3.822  -8.785
   19    H    LYS   4           HN       LYS   4  -9.076   2.859  -6.426
   20    HA   LYS   4           HA       LYS   4  -6.767   2.738  -4.601
   21   1HB   LYS   4          HB2       LYS   4  -8.895   3.524  -3.454
   22   2HB   LYS   4          HB1       LYS   4  -9.597   1.963  -3.838
   23   1HG   LYS   4          HG2       LYS   4  -7.108   2.305  -2.176
   24   2HG   LYS   4          HG1       LYS   4  -8.732   2.219  -1.502
   25   1HD   LYS   4          HD2       LYS   4  -7.376   0.072  -3.136
   26   2HD   LYS   4          HD1       LYS   4  -7.593   0.055  -1.388
   27   1HE   LYS   4          HE2       LYS   4  -9.966  -0.106  -1.611
   28   2HE   LYS   4          HE1       LYS   4  -9.880   0.190  -3.346
   29   1HZ   LYS   4          HZ1       LYS   4  -8.452  -2.129  -2.224
   30   2HZ   LYS   4          HZ2       LYS   4  -9.135  -1.923  -3.760
   31   3HZ   LYS   4          HZ3       LYS   4 -10.131  -2.222  -2.431
   32    H    ALA   5           HN       ALA   5  -5.754   0.866  -4.669
   33    HA   ALA   5           HA       ALA   5  -7.088  -1.626  -5.179
   34   1HB   ALA   5          HB1       ALA   5  -6.712  -1.837  -7.366
   35   2HB   ALA   5          HB2       ALA   5  -4.985  -1.603  -7.099
   36   3HB   ALA   5          HB3       ALA   5  -6.026  -0.213  -7.405
   37    H    GLU   6           HN       GLU   6  -5.955  -3.254  -4.210
   38    HA   GLU   6           HA       GLU   6  -3.767  -2.585  -2.559
   39   1HB   GLU   6          HB2       GLU   6  -4.760  -5.327  -3.387
   40   2HB   GLU   6          HB1       GLU   6  -3.592  -5.022  -2.124
   41   1HG   GLU   6          HG2       GLU   6  -5.850  -5.487  -1.266
   42   2HG   GLU   6          HG1       GLU   6  -5.225  -3.918  -0.771
   43    H    CYS   7           HN       CYS   7  -1.621  -2.871  -2.817
   44    HA   CYS   7           HA       CYS   7  -0.493  -2.697  -5.337
   45   1HB   CYS   7          HB2       CYS   7   0.679  -2.127  -3.205
   46   2HB   CYS   7          HB1       CYS   7   0.894  -3.849  -2.906
   47    HA   PRO   8           HA       PRO   8  -1.041  -6.739  -7.089
   48   1HB   PRO   8          HB2       PRO   8   1.349  -5.901  -8.660
   49   2HB   PRO   8          HB1       PRO   8  -0.208  -6.521  -9.223
   50   1HG   PRO   8          HG2       PRO   8   0.373  -3.934  -9.438
   51   2HG   PRO   8          HG1       PRO   8  -1.260  -4.465  -8.991
   52   1HD   PRO   8          HD2       PRO   8   0.902  -3.325  -7.274
   53   2HD   PRO   8          HD1       PRO   8  -0.855  -3.081  -7.189
   54    H    THR   9           HN       THR   9   2.236  -5.586  -6.349
   55    HA   THR   9           HA       THR   9   3.132  -8.319  -5.919
   56    HB   THR   9           HB       THR   9   5.355  -7.203  -5.439
   57    HG1  THR   9           HG1      THR   9   4.162  -5.079  -5.067
   58   1HG2  THR   9          HG21      THR   9   5.285  -6.251  -8.005
   59   2HG2  THR   9          HG22      THR   9   3.917  -7.363  -7.983
   60   3HG2  THR   9          HG23      THR   9   5.528  -7.939  -7.554
   61    H    TRP  10           HN       TRP  10   1.168  -7.665  -4.141
   62    HA   TRP  10           HA       TRP  10   2.651  -7.694  -1.628
   63   1HB   TRP  10          HB2       TRP  10   1.859  -5.326  -2.129
   64   2HB   TRP  10          HB1       TRP  10   0.216  -5.941  -1.967
   65    HD1  TRP  10           HD1      TRP  10  -0.598  -6.648   0.491
   66    HE1  TRP  10           HE1      TRP  10   0.302  -6.026   2.837
   67    HE3  TRP  10           HE3      TRP  10   3.950  -4.759  -0.863
   68    HZ2  TRP  10           HZ2      TRP  10   2.645  -4.850   3.944
   69    HZ3  TRP  10           HZ3      TRP  10   5.443  -3.890   0.883
   70    HH2  TRP  10           HH2      TRP  10   4.803  -3.940   3.234
   71    H    ASP  11           HN       ASP  11   2.022  -9.431  -0.571
   72    HA   ASP  11           HA       ASP  11  -0.792 -10.084  -0.342
   73   1HB   ASP  11          HB2       ASP  11   0.224 -11.313  -2.391
   74   2HB   ASP  11          HB1       ASP  11   1.074 -12.290  -1.197
   75    H    SER  12           HN       SER  12   0.596  -9.040   1.595
   76    HA   SER  12           HA       SER  12   0.858 -11.194   3.509
   77   1HB   SER  12          HB2       SER  12   3.083 -10.230   4.295
   78   2HB   SER  12          HB1       SER  12   3.124 -11.120   2.773
   79    HG   SER  12           HG       SER  12   3.845  -8.600   3.229
   80    H    VAL  13           HN       VAL  13   1.339 -10.223   5.738
   81    HA   VAL  13           HA       VAL  13  -0.596  -8.155   6.209
   82    HB   VAL  13           HB       VAL  13   1.262  -9.550   8.150
   83   1HG1  VAL  13          HG11      VAL  13  -1.290  -8.096   8.798
   84   2HG1  VAL  13          HG12      VAL  13   0.295  -7.326   8.869
   85   3HG1  VAL  13          HG13      VAL  13  -0.064  -8.702   9.912
   86   1HG2  VAL  13          HG21      VAL  13  -0.597 -10.818   6.747
   87   2HG2  VAL  13          HG22      VAL  13  -1.639 -10.157   8.007
   88   3HG2  VAL  13          HG23      VAL  13  -0.282 -11.198   8.440
   89    H    CYS  14           HN       CYS  14  -0.235  -6.064   6.573
   90    HA   CYS  14           HA       CYS  14   2.207  -4.849   5.924
   91   1HB   CYS  14          HB2       CYS  14  -0.424  -3.982   6.903
   92   2HB   CYS  14          HB1       CYS  14   0.907  -2.920   7.339
   93    H    ILE  15           HN       ILE  15   3.925  -4.312   7.061
   94    HA   ILE  15           HA       ILE  15   3.940  -4.822   9.948
   95    HB   ILE  15           HB       ILE  15   6.282  -4.356   8.083
   96   1HG1  ILE  15          HG12      ILE  15   5.118  -6.428   7.507
   97   2HG1  ILE  15          HG11      ILE  15   6.671  -6.784   8.253
   98   1HG2  ILE  15          HG21      ILE  15   7.577  -4.275   9.881
   99   2HG2  ILE  15          HG22      ILE  15   6.924  -5.805  10.467
  100   3HG2  ILE  15          HG23      ILE  15   6.130  -4.287  10.888
  101   1HD1  ILE  15          HD11      ILE  15   5.548  -7.279  10.359
  102   2HD1  ILE  15          HD12      ILE  15   4.935  -8.286   9.047
  103   3HD1  ILE  15          HD13      ILE  15   3.991  -6.909   9.618
  104    H    ASN  16           HN       ASN  16   4.229  -2.377   7.527
  105    HA   ASN  16           HA       ASN  16   3.891  -0.241   9.374
  106   1HB   ASN  16          HB2       ASN  16   6.349  -0.748   9.627
  107   2HB   ASN  16          HB1       ASN  16   6.556  -0.366   7.924
  108   1HD2  ASN  16          HD21      ASN  16   6.548   0.826  11.050
  109   2HD2  ASN  16          HD22      ASN  16   6.588   2.515  10.682
  110    H    LYS  17           HN       LYS  17   3.762   1.866   8.164
  111    HA   LYS  17           HA       LYS  17   2.330   1.523   5.742
  112   1HB   LYS  17          HB2       LYS  17   2.009   3.386   7.429
  113   2HB   LYS  17          HB1       LYS  17   3.469   4.121   6.780
  114   1HG   LYS  17          HG2       LYS  17   2.376   4.195   4.550
  115   2HG   LYS  17          HG1       LYS  17   0.896   3.597   5.301
  116   1HD   LYS  17          HD2       LYS  17   0.983   5.580   6.836
  117   2HD   LYS  17          HD1       LYS  17   2.318   6.196   5.863
  118   1HE   LYS  17          HE2       LYS  17  -0.478   5.615   4.882
  119   2HE   LYS  17          HE1       LYS  17   0.196   7.211   5.200
  120   1HZ   LYS  17          HZ1       LYS  17   1.848   6.776   3.448
  121   2HZ   LYS  17          HZ2       LYS  17   0.264   6.747   2.851
  122   3HZ   LYS  17          HZ3       LYS  17   1.096   5.297   3.115
  123    H    LYS  18           HN       LYS  18   5.658   2.406   6.485
  124    HA   LYS  18           HA       LYS  18   6.490   3.491   4.083
  125   1HB   LYS  18          HB2       LYS  18   7.752   2.922   6.375
  126   2HB   LYS  18          HB1       LYS  18   8.360   1.591   5.403
  127   1HG   LYS  18          HG2       LYS  18   8.567   4.493   4.627
  128   2HG   LYS  18          HG1       LYS  18   9.837   3.583   5.442
  129   1HD   LYS  18          HD2       LYS  18   8.661   2.855   2.760
  130   2HD   LYS  18          HD1       LYS  18  10.150   3.774   2.981
  131   1HE   LYS  18          HE2       LYS  18  11.121   1.879   4.205
  132   2HE   LYS  18          HE1       LYS  18   9.636   0.964   3.953
  133   1HZ   LYS  18          HZ1       LYS  18  11.785   0.926   2.318
  134   2HZ   LYS  18          HZ2       LYS  18  10.768   2.023   1.529
  135   3HZ   LYS  18          HZ3       LYS  18  10.220   0.461   1.873
  136    HA   PRO  19           HA       PRO  19   7.609  -1.098   2.474
  137   1HB   PRO  19          HB2       PRO  19   5.349  -2.373   3.974
  138   2HB   PRO  19          HB1       PRO  19   6.886  -3.082   3.471
  139   1HG   PRO  19          HG2       PRO  19   6.551  -2.377   5.986
  140   2HG   PRO  19          HG1       PRO  19   8.077  -1.987   5.168
  141   1HD   PRO  19          HD2       PRO  19   5.767  -0.204   5.824
  142   2HD   PRO  19          HD1       PRO  19   7.508   0.139   5.881
  143    H    CYS  20           HN       CYS  20   4.275  -0.368   3.429
  144    HA   CYS  20           HA       CYS  20   3.009  -1.288   1.103
  145   1HB   CYS  20          HB2       CYS  20   1.810  -0.880   3.197
  146   2HB   CYS  20          HB1       CYS  20   2.147   0.842   3.077
  147    H    VAL  21           HN       VAL  21   3.946   2.027   2.056
  148    HA   VAL  21           HA       VAL  21   3.105   3.334  -0.270
  149    HB   VAL  21           HB       VAL  21   5.444   4.050   1.518
  150   1HG1  VAL  21          HG11      VAL  21   3.886   5.830  -0.353
  151   2HG1  VAL  21          HG12      VAL  21   5.486   5.171  -0.696
  152   3HG1  VAL  21          HG13      VAL  21   5.262   6.288   0.650
  153   1HG2  VAL  21          HG21      VAL  21   2.593   5.027   1.576
  154   2HG2  VAL  21          HG22      VAL  21   3.894   5.517   2.660
  155   3HG2  VAL  21          HG23      VAL  21   3.292   3.860   2.698
  156    H    ALA  22           HN       ALA  22   6.142   1.684   0.468
  157    HA   ALA  22           HA       ALA  22   7.562   2.453  -1.840
  158   1HB   ALA  22          HB1       ALA  22   8.366   1.225   0.307
  159   2HB   ALA  22          HB2       ALA  22   9.151   0.884  -1.235
  160   3HB   ALA  22          HB3       ALA  22   7.950  -0.236  -0.589
  161    H    CYS  23           HN       CYS  23   5.452  -0.312  -1.179
  162    HA   CYS  23           HA       CYS  23   5.754  -1.603  -3.673
  163   1HB   CYS  23          HB2       CYS  23   4.653  -2.428  -1.452
  164   2HB   CYS  23          HB1       CYS  23   3.198  -1.674  -2.087
  165    H    CYS  24           HN       CYS  24   3.445   0.759  -2.448
  166    HA   CYS  24           HA       CYS  24   1.865   0.920  -4.775
  167   1HB   CYS  24          HB2       CYS  24   2.309   2.916  -2.553
  168   2HB   CYS  24          HB1       CYS  24   1.052   3.049  -3.775
  169    H    LYS  25           HN       LYS  25   4.775   2.658  -3.765
  170    HA   LYS  25           HA       LYS  25   4.681   4.606  -5.808
  171   1HB   LYS  25          HB2       LYS  25   6.905   3.568  -4.075
  172   2HB   LYS  25          HB1       LYS  25   7.212   4.751  -5.342
  173   1HG   LYS  25          HG2       LYS  25   5.274   5.099  -3.060
  174   2HG   LYS  25          HG1       LYS  25   6.887   5.811  -3.162
  175   1HD   LYS  25          HD2       LYS  25   6.274   7.303  -4.801
  176   2HD   LYS  25          HD1       LYS  25   4.970   6.276  -5.396
  177   1HE   LYS  25          HE2       LYS  25   4.059   8.235  -4.308
  178   2HE   LYS  25          HE1       LYS  25   3.665   6.789  -3.383
  179   1HZ   LYS  25          HZ1       LYS  25   5.468   7.320  -1.863
  180   2HZ   LYS  25          HZ2       LYS  25   4.353   8.589  -1.946
  181   3HZ   LYS  25          HZ3       LYS  25   5.836   8.713  -2.751
  182    H    LYS  26           HN       LYS  26   6.251   1.413  -5.659
  183    HA   LYS  26           HA       LYS  26   7.415   1.676  -8.247
  184   1HB   LYS  26          HB2       LYS  26   7.829  -0.755  -8.125
  185   2HB   LYS  26          HB1       LYS  26   8.369   0.085  -6.683
  186   1HG   LYS  26          HG2       LYS  26   7.384  -1.775  -5.789
  187   2HG   LYS  26          HG1       LYS  26   6.049  -0.625  -5.735
  188   1HD   LYS  26          HD2       LYS  26   5.050  -2.528  -6.611
  189   2HD   LYS  26          HD1       LYS  26   5.437  -1.596  -8.058
  190   1HE   LYS  26          HE2       LYS  26   6.081  -3.841  -8.485
  191   2HE   LYS  26          HE1       LYS  26   7.563  -2.922  -8.218
  192   1HZ   LYS  26          HZ1       LYS  26   7.487  -3.723  -5.877
  193   2HZ   LYS  26          HZ2       LYS  26   7.732  -4.947  -7.017
  194   3HZ   LYS  26          HZ3       LYS  26   6.206  -4.746  -6.308
  195    H    ALA  27           HN       ALA  27   4.294   0.832  -7.069
  196    HA   ALA  27           HA       ALA  27   3.400  -0.366  -9.549
  197   1HB   ALA  27          HB1       ALA  27   1.968  -1.314  -8.141
  198   2HB   ALA  27          HB2       ALA  27   1.170   0.250  -7.974
  199   3HB   ALA  27          HB3       ALA  27   2.441  -0.216  -6.844
  200    H    LYS  28           HN       LYS  28   4.057   2.693  -8.626
  201    HA   LYS  28           HA       LYS  28   3.706   4.721  -9.558
  202   1HB   LYS  28          HB2       LYS  28   3.512   3.320 -11.683
  203   2HB   LYS  28          HB1       LYS  28   1.772   3.471 -11.498
  204   1HG   LYS  28          HG2       LYS  28   1.965   5.902 -11.640
  205   2HG   LYS  28          HG1       LYS  28   3.714   5.751 -11.821
  206   1HD   LYS  28          HD2       LYS  28   1.630   4.641 -13.703
  207   2HD   LYS  28          HD1       LYS  28   2.634   6.065 -13.988
  208   1HE   LYS  28          HE2       LYS  28   4.634   4.699 -13.963
  209   2HE   LYS  28          HE1       LYS  28   3.684   3.269 -13.563
  210   1HZ   LYS  28          HZ1       LYS  28   2.554   3.473 -15.690
  211   2HZ   LYS  28          HZ2       LYS  28   4.225   3.332 -15.910
  212   3HZ   LYS  28          HZ3       LYS  28   3.476   4.839 -16.075
  213    H    PHE  29           HN       PHE  29   2.320   4.139  -7.295
  214    HA   PHE  29           HA       PHE  29  -0.286   5.440  -7.744
  215   1HB   PHE  29          HB2       PHE  29   0.538   3.399  -5.692
  216   2HB   PHE  29          HB1       PHE  29  -0.839   4.455  -5.411
  217    HD1  PHE  29           HD1      PHE  29  -2.923   3.791  -6.111
  218    HD2  PHE  29           HD2      PHE  29   0.508   2.089  -7.961
  219    HE1  PHE  29           HE1      PHE  29  -4.371   2.248  -7.366
  220    HE2  PHE  29           HE2      PHE  29  -0.933   0.547  -9.223
  221    HZ   PHE  29           HZ       PHE  29  -3.376   0.624  -8.926
  222    H    SER  30           HN       SER  30  -0.886   7.114  -6.357
  223    HA   SER  30           HA       SER  30   1.091   8.923  -5.671
  224   1HB   SER  30          HB2       SER  30  -1.624   8.931  -4.380
  225   2HB   SER  30          HB1       SER  30  -0.642  10.305  -4.893
  226    HG   SER  30           HG       SER  30  -1.288  10.047  -6.927
  227    H    ASP  31           HN       ASP  31  -0.759   6.786  -3.496
  228    HA   ASP  31           HA       ASP  31   1.441   6.600  -1.679
  229   1HB   ASP  31          HB2       ASP  31   0.660   8.791  -0.959
  230   2HB   ASP  31          HB1       ASP  31  -0.980   8.177  -0.774
  231    H    GLY  32           HN       GLY  32   1.226   4.939  -0.219
  232   1HA   GLY  32          HA2       GLY  32  -1.144   3.252  -0.640
  233   2HA   GLY  32          HA1       GLY  32   0.455   2.657  -0.224
  234    H    HIS  33           HN       HIS  33  -2.284   2.421   1.002
  235    HA   HIS  33           HA       HIS  33  -1.424   3.030   3.742
  236   1HB   HIS  33          HB2       HIS  33  -3.765   3.615   4.340
  237   2HB   HIS  33          HB1       HIS  33  -3.042   4.753   3.216
  238    HD1  HIS  33           HD1      HIS  33  -3.828   4.420   0.621
  239    HD2  HIS  33           HD2      HIS  33  -6.135   2.544   3.526
  240    HE1  HIS  33           HE1      HIS  33  -5.986   3.815  -0.511
  241    H    CYS  34           HN       CYS  34  -1.643   1.383   5.081
  242    HA   CYS  34           HA       CYS  34  -2.498  -1.150   4.074
  243   1HB   CYS  34          HB2       CYS  34  -1.679  -0.337   6.868
  244   2HB   CYS  34          HB1       CYS  34  -1.849  -1.992   6.286
  245    H    SER  35           HN       SER  35  -4.305  -2.326   4.580
  246    HA   SER  35           HA       SER  35  -6.585  -0.820   5.434
  247   1HB   SER  35          HB2       SER  35  -7.762  -3.064   5.090
  248   2HB   SER  35          HB1       SER  35  -6.990  -2.345   3.677
  249    HG   SER  35           HG       SER  35  -5.353  -3.794   3.814
  250    H    LYS  36           HN       LYS  36  -8.124  -2.718   6.780
  251    HA   LYS  36           HA       LYS  36  -6.679  -2.947   9.331
  252   1HB   LYS  36          HB2       LYS  36  -8.797  -2.591  10.490
  253   2HB   LYS  36          HB1       LYS  36  -8.423  -1.240   9.432
  254   1HG   LYS  36          HG2       LYS  36 -10.037  -1.967   7.824
  255   2HG   LYS  36          HG1       LYS  36 -10.311  -3.469   8.710
  256   1HD   LYS  36          HD2       LYS  36 -11.176  -2.183  10.611
  257   2HD   LYS  36          HD1       LYS  36 -10.909  -0.686   9.719
  258   1HE   LYS  36          HE2       LYS  36 -12.705  -2.911   8.768
  259   2HE   LYS  36          HE1       LYS  36 -13.271  -1.528   9.703
  260   1HZ   LYS  36          HZ1       LYS  36 -12.929  -1.693   6.952
  261   2HZ   LYS  36          HZ2       LYS  36 -11.746  -0.621   7.514
  262   3HZ   LYS  36          HZ3       LYS  36 -13.377  -0.336   7.858
  263    H    ILE  37           HN       ILE  37  -8.459  -4.632   6.940
  264    HA   ILE  37           HA       ILE  37  -9.288  -6.810   8.617
  265    HB   ILE  37           HB       ILE  37  -9.064  -6.899   5.609
  266   1HG1  ILE  37          HG12      ILE  37 -11.407  -5.874   7.231
  267   2HG1  ILE  37          HG11      ILE  37 -10.293  -4.850   6.332
  268   1HG2  ILE  37          HG21      ILE  37  -9.545  -9.032   6.523
  269   2HG2  ILE  37          HG22      ILE  37 -11.078  -8.399   5.925
  270   3HG2  ILE  37          HG23      ILE  37 -10.723  -8.363   7.652
  271   1HD1  ILE  37          HD11      ILE  37 -12.463  -6.610   5.360
  272   2HD1  ILE  37          HD12      ILE  37 -11.030  -6.439   4.347
  273   3HD1  ILE  37          HD13      ILE  37 -11.960  -5.013   4.808
  274    H    LEU  38           HN       LEU  38  -7.738  -7.716   5.674
  275    HA   LEU  38           HA       LEU  38  -5.981  -9.527   7.018
  276   1HB   LEU  38          HB2       LEU  38  -7.060  -9.903   4.771
  277   2HB   LEU  38          HB1       LEU  38  -5.942  -8.732   4.109
  278    HG   LEU  38           HG       LEU  38  -4.053 -10.150   4.771
  279   1HD1  LEU  38          HD11      LEU  38  -5.785 -11.309   6.528
  280   2HD1  LEU  38          HD12      LEU  38  -4.219 -11.973   6.061
  281   3HD1  LEU  38          HD13      LEU  38  -5.688 -12.528   5.257
  282   1HD2  LEU  38          HD21      LEU  38  -4.962 -10.375   2.535
  283   2HD2  LEU  38          HD22      LEU  38  -6.147 -11.547   3.112
  284   3HD2  LEU  38          HD23      LEU  38  -4.429 -11.945   3.135
  285    H    ARG  39           HN       ARG  39  -5.842  -6.326   6.560
  286    HA   ARG  39           HA       ARG  39  -4.279  -4.723   6.834
  287   1HB   ARG  39          HB2       ARG  39  -3.444  -6.601   8.488
  288   2HB   ARG  39          HB1       ARG  39  -2.128  -6.739   7.331
  289   1HG   ARG  39          HG2       ARG  39  -1.446  -5.274   9.082
  290   2HG   ARG  39          HG1       ARG  39  -1.698  -4.309   7.626
  291   1HD   ARG  39          HD2       ARG  39  -2.624  -3.227   9.629
  292   2HD   ARG  39          HD1       ARG  39  -3.868  -3.599   8.435
  293    HE   ARG  39           HE       ARG  39  -3.732  -5.739  10.217
  294   1HH1  ARG  39          HH11      ARG  39  -4.614  -2.356  10.228
  295   2HH1  ARG  39          HH12      ARG  39  -5.760  -2.522  11.517
  296   1HH2  ARG  39          HH21      ARG  39  -5.262  -5.978  11.900
  297   2HH2  ARG  39          HH22      ARG  39  -6.143  -4.598  12.461
  298    H    ARG  40           HN       ARG  40  -4.800  -5.934   4.283
  299    HA   ARG  40           HA       ARG  40  -2.390  -6.222   2.791
  300   1HB   ARG  40          HB2       ARG  40  -5.261  -5.751   2.026
  301   2HB   ARG  40          HB1       ARG  40  -3.988  -5.708   0.817
  302   1HG   ARG  40          HG2       ARG  40  -3.367  -8.011   1.426
  303   2HG   ARG  40          HG1       ARG  40  -4.707  -8.043   2.575
  304   1HD   ARG  40          HD2       ARG  40  -6.294  -7.683   0.768
  305   2HD   ARG  40          HD1       ARG  40  -4.974  -7.565  -0.393
  306    HE   ARG  40           HE       ARG  40  -6.139  -9.952   0.664
  307   1HH1  ARG  40          HH11      ARG  40  -3.228  -8.606  -0.766
  308   2HH1  ARG  40          HH12      ARG  40  -2.577 -10.162  -1.192
  309   1HH2  ARG  40          HH21      ARG  40  -5.242 -11.996   0.083
  310   2HH2  ARG  40          HH22      ARG  40  -3.690 -12.052  -0.712
  311    H    CYS  41           HN       CYS  41  -1.509  -4.754   1.265
  312    HA   CYS  41           HA       CYS  41  -1.553  -2.017   2.169
  313   1HB   CYS  41          HB2       CYS  41   0.586  -2.949   1.611
  314   2HB   CYS  41          HB1       CYS  41   0.013  -3.461   0.028
  315    H    LEU  42           HN       LEU  42  -3.292  -0.869   1.560
  316    HA   LEU  42           HA       LEU  42  -4.445  -1.197  -1.090
  317   1HB   LEU  42          HB2       LEU  42  -5.164   0.344   1.383
  318   2HB   LEU  42          HB1       LEU  42  -5.878   0.808  -0.146
  319    HG   LEU  42           HG       LEU  42  -6.885  -1.419  -0.358
  320   1HD1  LEU  42          HD11      LEU  42  -6.768  -2.563   2.121
  321   2HD1  LEU  42          HD12      LEU  42  -5.113  -2.005   1.881
  322   3HD1  LEU  42          HD13      LEU  42  -5.858  -3.088   0.705
  323   1HD2  LEU  42          HD21      LEU  42  -7.919   0.541   0.941
  324   2HD2  LEU  42          HD22      LEU  42  -7.550  -0.408   2.381
  325   3HD2  LEU  42          HD23      LEU  42  -8.623  -1.063   1.144
  326    H    CYS  43           HN       CYS  43  -3.631  -0.090  -2.776
  327    HA   CYS  43           HA       CYS  43  -2.064   2.305  -2.219
  328   1HB   CYS  43          HB2       CYS  43  -2.397   0.736  -4.782
  329   2HB   CYS  43          HB1       CYS  43  -1.351   2.133  -4.576
  330    H    THR  44           HN       THR  44  -2.706   4.284  -2.694
  331    HA   THR  44           HA       THR  44  -5.234   4.586  -4.170
  332    HB   THR  44           HB       THR  44  -4.867   6.949  -2.779
  333    HG1  THR  44           HG1      THR  44  -3.247   5.887  -1.493
  334   1HG2  THR  44          HG21      THR  44  -6.610   5.648  -1.186
  335   2HG2  THR  44          HG22      THR  44  -6.629   4.586  -2.595
  336   3HG2  THR  44          HG23      THR  44  -7.035   6.294  -2.772
  337    H    LYS  45           HN       LYS  45  -5.360   6.186  -5.714
  338    HA   LYS  45           HA       LYS  45  -3.144   7.965  -6.176
  339   1HB   LYS  45          HB2       LYS  45  -2.370   7.130  -8.218
  340   2HB   LYS  45          HB1       LYS  45  -2.530   5.692  -7.221
  341   1HG   LYS  45          HG2       LYS  45  -4.596   5.106  -8.305
  342   2HG   LYS  45          HG1       LYS  45  -4.587   6.616  -9.217
  343   1HD   LYS  45          HD2       LYS  45  -2.660   4.311  -9.464
  344   2HD   LYS  45          HD1       LYS  45  -3.827   4.866 -10.665
  345   1HE   LYS  45          HE2       LYS  45  -1.376   6.333  -9.697
  346   2HE   LYS  45          HE1       LYS  45  -1.618   5.612 -11.286
  347   1HZ   LYS  45          HZ1       LYS  45  -2.350   8.189 -10.357
  348   2HZ   LYS  45          HZ2       LYS  45  -3.728   7.364 -10.899
  349   3HZ   LYS  45          HZ3       LYS  45  -2.405   7.565 -11.931
  350    H    GLU  46           HN       GLU  46  -3.511   9.309  -8.093
  351    HA   GLU  46           HA       GLU  46  -6.253  10.170  -8.145
  352   1HB   GLU  46          HB2       GLU  46  -5.422  12.037  -9.499
  353   2HB   GLU  46          HB1       GLU  46  -4.475  11.832  -8.038
  354   1HG   GLU  46          HG2       GLU  46  -3.649  10.912 -10.786
  355   2HG   GLU  46          HG1       GLU  46  -3.111  12.393 -10.002
  356    H    CYS  47           HN       CYS  47  -7.601  10.246  -9.915
  357    HA   CYS  47           HA       CYS  47  -6.916   9.355 -12.503
  358   1HB   CYS  47          HB2       CYS  47  -8.206   7.272 -12.560
  359   2HB   CYS  47          HB1       CYS  47  -6.869   7.149 -11.424
  Start of MODEL    8
    1   1H    ALA   1          HT1       ALA   1 -12.694   8.163 -10.760
    2   2H    ALA   1          HT2       ALA   1 -13.391   9.663 -10.410
    3   3H    ALA   1          HT3       ALA   1 -12.893   8.651  -9.151
    4    HA   ALA   1           HA       ALA   1 -10.835   9.296 -11.044
    5   1HB   ALA   1          HB1       ALA   1 -12.508  11.392 -10.168
    6   2HB   ALA   1          HB2       ALA   1 -10.982  11.511 -11.042
    7   3HB   ALA   1          HB3       ALA   1 -10.992  11.534  -9.279
    8    H    THR   2           HN       THR   2 -11.201   7.285  -9.106
    9    HA   THR   2           HA       THR   2  -8.926   7.829  -7.405
   10    HB   THR   2           HB       THR   2 -11.489   6.874  -6.116
   11    HG1  THR   2           HG1      THR   2 -10.422   9.482  -6.421
   12   1HG2  THR   2          HG21      THR   2 -10.120   6.359  -4.430
   13   2HG2  THR   2          HG22      THR   2  -9.736   8.073  -4.274
   14   3HG2  THR   2          HG23      THR   2  -8.738   7.034  -5.292
   15    H    CYS   3           HN       CYS   3  -7.661   6.085  -7.531
   16    HA   CYS   3           HA       CYS   3  -8.939   3.487  -8.060
   17   1HB   CYS   3          HB2       CYS   3  -6.363   4.674  -9.052
   18   2HB   CYS   3          HB1       CYS   3  -6.584   2.924  -9.002
   19    H    LYS   4           HN       LYS   4  -8.413   1.756  -6.825
   20    HA   LYS   4           HA       LYS   4  -6.239   1.927  -4.902
   21   1HB   LYS   4          HB2       LYS   4  -7.977   2.981  -3.642
   22   2HB   LYS   4          HB1       LYS   4  -9.151   1.765  -4.123
   23   1HG   LYS   4          HG2       LYS   4  -7.692   0.092  -2.885
   24   2HG   LYS   4          HG1       LYS   4  -6.869   1.494  -2.197
   25   1HD   LYS   4          HD2       LYS   4  -8.666   0.616  -0.743
   26   2HD   LYS   4          HD1       LYS   4  -8.932   2.290  -1.236
   27   1HE   LYS   4          HE2       LYS   4 -10.976   0.867  -1.338
   28   2HE   LYS   4          HE1       LYS   4 -10.550   1.621  -2.872
   29   1HZ   LYS   4          HZ1       LYS   4  -9.951  -1.191  -2.113
   30   2HZ   LYS   4          HZ2       LYS   4  -9.571  -0.466  -3.595
   31   3HZ   LYS   4          HZ3       LYS   4 -11.188  -0.696  -3.155
   32    H    ALA   5           HN       ALA   5  -5.244   0.066  -4.928
   33    HA   ALA   5           HA       ALA   5  -6.616  -2.453  -4.737
   34   1HB   ALA   5          HB1       ALA   5  -5.342  -3.334  -6.804
   35   2HB   ALA   5          HB2       ALA   5  -5.271  -1.642  -7.296
   36   3HB   ALA   5          HB3       ALA   5  -6.832  -2.429  -7.064
   37    H    GLU   6           HN       GLU   6  -5.130  -4.161  -4.188
   38    HA   GLU   6           HA       GLU   6  -2.928  -3.246  -2.695
   39   1HB   GLU   6          HB2       GLU   6  -3.599  -6.078  -3.515
   40   2HB   GLU   6          HB1       GLU   6  -2.397  -5.623  -2.318
   41   1HG   GLU   6          HG2       GLU   6  -4.356  -4.385  -1.172
   42   2HG   GLU   6          HG1       GLU   6  -5.370  -5.429  -2.165
   43    H    CYS   7           HN       CYS   7  -0.792  -3.336  -3.014
   44    HA   CYS   7           HA       CYS   7   0.239  -2.808  -5.517
   45   1HB   CYS   7          HB2       CYS   7   1.354  -2.294  -3.347
   46   2HB   CYS   7          HB1       CYS   7   1.768  -3.997  -3.192
   47    HA   PRO   8           HA       PRO   8   0.154  -6.745  -7.569
   48   1HB   PRO   8          HB2       PRO   8   2.283  -5.474  -9.210
   49   2HB   PRO   8          HB1       PRO   8   0.766  -6.224  -9.719
   50   1HG   PRO   8          HG2       PRO   8   1.051  -3.575  -9.732
   51   2HG   PRO   8          HG1       PRO   8  -0.482  -4.327  -9.251
   52   1HD   PRO   8          HD2       PRO   8   1.651  -3.109  -7.549
   53   2HD   PRO   8          HD1       PRO   8  -0.114  -3.055  -7.358
   54    H    THR   9           HN       THR   9   3.260  -5.164  -6.894
   55    HA   THR   9           HA       THR   9   4.594  -7.748  -6.788
   56    HB   THR   9           HB       THR   9   6.649  -6.378  -6.359
   57    HG1  THR   9           HG1      THR   9   5.105  -4.523  -5.640
   58   1HG2  THR   9          HG21      THR   9   5.070  -5.638  -8.825
   59   2HG2  THR   9          HG22      THR   9   6.039  -7.097  -8.623
   60   3HG2  THR   9          HG23      THR   9   6.820  -5.515  -8.641
   61    H    TRP  10           HN       TRP  10   2.664  -7.505  -4.828
   62    HA   TRP  10           HA       TRP  10   4.329  -7.629  -2.441
   63   1HB   TRP  10          HB2       TRP  10   3.414  -5.319  -2.496
   64   2HB   TRP  10          HB1       TRP  10   1.786  -5.987  -2.550
   65    HD1  TRP  10           HD1      TRP  10   1.011  -7.404  -0.305
   66    HE1  TRP  10           HE1      TRP  10   1.645  -7.027   2.166
   67    HE3  TRP  10           HE3      TRP  10   5.151  -4.486  -0.969
   68    HZ2  TRP  10           HZ2      TRP  10   3.622  -5.645   3.632
   69    HZ3  TRP  10           HZ3      TRP  10   6.340  -3.661   1.017
   70    HH2  TRP  10           HH2      TRP  10   5.594  -4.233   3.267
   71    H    ASP  11           HN       ASP  11   3.889  -9.435  -1.409
   72    HA   ASP  11           HA       ASP  11   1.175 -10.379  -1.133
   73   1HB   ASP  11          HB2       ASP  11   2.246 -11.387  -3.293
   74   2HB   ASP  11          HB1       ASP  11   3.162 -12.383  -2.164
   75    H    SER  12           HN       SER  12   2.304  -9.386   0.862
   76    HA   SER  12           HA       SER  12   3.102 -11.615   2.551
   77   1HB   SER  12          HB2       SER  12   5.215 -10.561   1.695
   78   2HB   SER  12          HB1       SER  12   4.713  -9.047   2.446
   79    HG   SER  12           HG       SER  12   5.884  -9.919   4.014
   80    H    VAL  13           HN       VAL  13   3.209 -10.799   4.899
   81    HA   VAL  13           HA       VAL  13   0.734  -9.447   5.429
   82    HB   VAL  13           HB       VAL  13   2.845 -10.396   7.376
   83   1HG1  VAL  13          HG11      VAL  13   1.423  -9.956   9.104
   84   2HG1  VAL  13          HG12      VAL  13  -0.022 -10.126   8.106
   85   3HG1  VAL  13          HG13      VAL  13   0.951  -8.658   8.006
   86   1HG2  VAL  13          HG21      VAL  13   0.887 -11.829   5.796
   87   2HG2  VAL  13          HG22      VAL  13   0.651 -12.084   7.525
   88   3HG2  VAL  13          HG23      VAL  13   2.210 -12.447   6.785
   89    H    CYS  14           HN       CYS  14   0.430  -7.399   5.850
   90    HA   CYS  14           HA       CYS  14   2.489  -5.476   5.648
   91   1HB   CYS  14          HB2       CYS  14   0.356  -4.775   4.950
   92   2HB   CYS  14          HB1       CYS  14  -0.419  -5.373   6.412
   93    H    ILE  15           HN       ILE  15   3.896  -4.903   7.121
   94    HA   ILE  15           HA       ILE  15   3.371  -5.469   9.944
   95    HB   ILE  15           HB       ILE  15   5.963  -4.691   8.589
   96   1HG1  ILE  15          HG12      ILE  15   5.196  -6.891   7.847
   97   2HG1  ILE  15          HG11      ILE  15   6.603  -7.051   8.892
   98   1HG2  ILE  15          HG21      ILE  15   5.550  -4.219  11.117
   99   2HG2  ILE  15          HG22      ILE  15   7.064  -4.957  10.595
  100   3HG2  ILE  15          HG23      ILE  15   5.788  -5.959  11.286
  101   1HD1  ILE  15          HD11      ILE  15   4.627  -7.309  10.704
  102   2HD1  ILE  15          HD12      ILE  15   5.366  -8.661   9.846
  103   3HD1  ILE  15          HD13      ILE  15   3.843  -7.981   9.274
  104    H    ASN  16           HN       ASN  16   4.079  -2.868   7.701
  105    HA   ASN  16           HA       ASN  16   3.046  -0.925   9.543
  106   1HB   ASN  16          HB2       ASN  16   5.564  -1.318  10.093
  107   2HB   ASN  16          HB1       ASN  16   5.860  -0.411   8.614
  108   1HD2  ASN  16          HD21      ASN  16   4.728  -0.292  11.873
  109   2HD2  ASN  16          HD22      ASN  16   4.636   1.431  12.006
  110    H    LYS  17           HN       LYS  17   3.049   1.287   8.504
  111    HA   LYS  17           HA       LYS  17   1.945   1.099   5.932
  112   1HB   LYS  17          HB2       LYS  17   1.455   2.863   7.677
  113   2HB   LYS  17          HB1       LYS  17   2.965   3.633   7.211
  114   1HG   LYS  17          HG2       LYS  17   2.099   3.847   4.901
  115   2HG   LYS  17          HG1       LYS  17   0.560   3.182   5.452
  116   1HD   LYS  17          HD2       LYS  17   0.430   5.061   7.099
  117   2HD   LYS  17          HD1       LYS  17   1.867   5.752   6.344
  118   1HE   LYS  17          HE2       LYS  17  -0.795   5.241   5.012
  119   2HE   LYS  17          HE1       LYS  17  -0.142   6.810   5.478
  120   1HZ   LYS  17          HZ1       LYS  17   0.481   6.802   3.312
  121   2HZ   LYS  17          HZ2       LYS  17   0.540   5.110   3.210
  122   3HZ   LYS  17          HZ3       LYS  17   1.815   5.957   3.929
  123    H    LYS  18           HN       LYS  18   5.158   2.214   6.978
  124    HA   LYS  18           HA       LYS  18   6.065   3.331   4.648
  125   1HB   LYS  18          HB2       LYS  18   8.328   2.017   5.594
  126   2HB   LYS  18          HB1       LYS  18   7.813   3.653   5.966
  127   1HG   LYS  18          HG2       LYS  18   6.609   2.832   7.927
  128   2HG   LYS  18          HG1       LYS  18   7.116   1.185   7.547
  129   1HD   LYS  18          HD2       LYS  18   9.446   1.809   7.835
  130   2HD   LYS  18          HD1       LYS  18   8.983   3.486   8.128
  131   1HE   LYS  18          HE2       LYS  18   8.204   1.124   9.837
  132   2HE   LYS  18          HE1       LYS  18   9.481   2.280  10.211
  133   1HZ   LYS  18          HZ1       LYS  18   7.632   3.008  11.410
  134   2HZ   LYS  18          HZ2       LYS  18   6.559   2.736  10.127
  135   3HZ   LYS  18          HZ3       LYS  18   7.659   4.022  10.055
  136    HA   PRO  19           HA       PRO  19   7.807  -0.975   2.996
  137   1HB   PRO  19          HB2       PRO  19   5.680  -2.689   4.197
  138   2HB   PRO  19          HB1       PRO  19   7.372  -3.072   3.867
  139   1HG   PRO  19          HG2       PRO  19   6.579  -2.592   6.347
  140   2HG   PRO  19          HG1       PRO  19   8.128  -1.952   5.764
  141   1HD   PRO  19          HD2       PRO  19   5.521  -0.542   6.164
  142   2HD   PRO  19          HD1       PRO  19   7.172   0.029   6.479
  143    H    CYS  20           HN       CYS  20   4.349  -0.761   3.721
  144    HA   CYS  20           HA       CYS  20   3.387  -1.677   1.245
  145   1HB   CYS  20          HB2       CYS  20   1.983  -1.578   3.240
  146   2HB   CYS  20          HB1       CYS  20   2.135   0.172   3.297
  147    H    VAL  21           HN       VAL  21   3.976   1.592   2.492
  148    HA   VAL  21           HA       VAL  21   3.146   3.067   0.268
  149    HB   VAL  21           HB       VAL  21   5.307   3.661   2.304
  150   1HG1  VAL  21          HG11      VAL  21   4.735   5.024  -0.140
  151   2HG1  VAL  21          HG12      VAL  21   5.921   5.423   1.103
  152   3HG1  VAL  21          HG13      VAL  21   4.276   6.049   1.219
  153   1HG2  VAL  21          HG21      VAL  21   3.149   5.378   2.632
  154   2HG2  VAL  21          HG22      VAL  21   3.564   3.991   3.640
  155   3HG2  VAL  21          HG23      VAL  21   2.425   3.803   2.307
  156    H    ALA  22           HN       ALA  22   6.301   1.629   1.026
  157    HA   ALA  22           HA       ALA  22   7.753   2.659  -1.124
  158   1HB   ALA  22          HB1       ALA  22   8.474   1.209   0.943
  159   2HB   ALA  22          HB2       ALA  22   9.411   1.179  -0.552
  160   3HB   ALA  22          HB3       ALA  22   8.277  -0.124  -0.195
  161    H    CYS  23           HN       CYS  23   5.818  -0.311  -0.889
  162    HA   CYS  23           HA       CYS  23   6.353  -1.240  -3.507
  163   1HB   CYS  23          HB2       CYS  23   5.214  -2.442  -1.482
  164   2HB   CYS  23          HB1       CYS  23   3.734  -1.750  -2.130
  165    H    CYS  24           HN       CYS  24   3.781   0.747  -2.145
  166    HA   CYS  24           HA       CYS  24   2.285   1.048  -4.507
  167   1HB   CYS  24          HB2       CYS  24   2.483   2.895  -2.125
  168   2HB   CYS  24          HB1       CYS  24   1.220   2.935  -3.343
  169    H    LYS  25           HN       LYS  25   5.006   2.892  -3.202
  170    HA   LYS  25           HA       LYS  25   4.821   5.030  -5.043
  171   1HB   LYS  25          HB2       LYS  25   7.162   4.002  -3.439
  172   2HB   LYS  25          HB1       LYS  25   7.231   5.449  -4.435
  173   1HG   LYS  25          HG2       LYS  25   5.533   4.974  -1.997
  174   2HG   LYS  25          HG1       LYS  25   6.838   6.146  -2.201
  175   1HD   LYS  25          HD2       LYS  25   5.395   7.655  -2.968
  176   2HD   LYS  25          HD1       LYS  25   4.898   6.555  -4.255
  177   1HE   LYS  25          HE2       LYS  25   2.893   6.784  -3.213
  178   2HE   LYS  25          HE1       LYS  25   3.538   5.454  -2.254
  179   1HZ   LYS  25          HZ1       LYS  25   4.468   7.569  -0.910
  180   2HZ   LYS  25          HZ2       LYS  25   3.002   6.798  -0.546
  181   3HZ   LYS  25          HZ3       LYS  25   3.012   8.200  -1.500
  182    H    LYS  26           HN       LYS  26   6.715   2.008  -5.110
  183    HA   LYS  26           HA       LYS  26   7.957   2.619  -7.591
  184   1HB   LYS  26          HB2       LYS  26   8.608   0.244  -7.667
  185   2HB   LYS  26          HB1       LYS  26   8.969   0.980  -6.116
  186   1HG   LYS  26          HG2       LYS  26   8.131  -1.066  -5.501
  187   2HG   LYS  26          HG1       LYS  26   6.699  -0.043  -5.387
  188   1HD   LYS  26          HD2       LYS  26   5.952  -1.955  -6.511
  189   2HD   LYS  26          HD1       LYS  26   6.219  -0.778  -7.798
  190   1HE   LYS  26          HE2       LYS  26   7.139  -2.827  -8.548
  191   2HE   LYS  26          HE1       LYS  26   8.500  -1.797  -8.100
  192   1HZ   LYS  26          HZ1       LYS  26   7.327  -3.979  -6.459
  193   2HZ   LYS  26          HZ2       LYS  26   8.581  -2.956  -5.956
  194   3HZ   LYS  26          HZ3       LYS  26   8.824  -4.013  -7.253
  195    H    ALA  27           HN       ALA  27   4.871   1.344  -6.722
  196    HA   ALA  27           HA       ALA  27   4.265   0.286  -9.338
  197   1HB   ALA  27          HB1       ALA  27   1.898   0.213  -8.279
  198   2HB   ALA  27          HB2       ALA  27   2.746   0.593  -6.780
  199   3HB   ALA  27          HB3       ALA  27   3.150  -0.873  -7.675
  200    H    LYS  28           HN       LYS  28   4.600   3.312  -8.192
  201    HA   LYS  28           HA       LYS  28   4.141   5.364  -9.004
  202   1HB   LYS  28          HB2       LYS  28   4.243   4.052 -11.221
  203   2HB   LYS  28          HB1       LYS  28   2.489   4.156 -11.206
  204   1HG   LYS  28          HG2       LYS  28   2.529   6.508 -11.376
  205   2HG   LYS  28          HG1       LYS  28   4.255   6.579 -11.014
  206   1HD   LYS  28          HD2       LYS  28   3.022   5.339 -13.477
  207   2HD   LYS  28          HD1       LYS  28   3.812   6.916 -13.407
  208   1HE   LYS  28          HE2       LYS  28   5.912   5.855 -12.779
  209   2HE   LYS  28          HE1       LYS  28   5.131   4.275 -12.776
  210   1HZ   LYS  28          HZ1       LYS  28   6.468   5.051 -14.835
  211   2HZ   LYS  28          HZ2       LYS  28   5.066   5.917 -15.215
  212   3HZ   LYS  28          HZ3       LYS  28   5.003   4.235 -15.054
  213    H    PHE  29           HN       PHE  29   2.622   4.427  -6.950
  214    HA   PHE  29           HA       PHE  29  -0.080   5.479  -7.491
  215   1HB   PHE  29          HB2       PHE  29   0.935   3.519  -5.435
  216   2HB   PHE  29          HB1       PHE  29  -0.580   4.369  -5.191
  217    HD1  PHE  29           HD1      PHE  29   1.104   2.466  -7.938
  218    HD2  PHE  29           HD2      PHE  29  -2.468   3.220  -5.758
  219    HE1  PHE  29           HE1      PHE  29  -0.066   0.766  -9.275
  220    HE2  PHE  29           HE2      PHE  29  -3.645   1.519  -7.089
  221    HZ   PHE  29           HZ       PHE  29  -2.444   0.289  -8.851
  222    H    SER  30           HN       SER  30  -0.930   7.054  -5.990
  223    HA   SER  30           HA       SER  30   0.930   8.987  -5.199
  224   1HB   SER  30          HB2       SER  30  -1.058   9.963  -3.902
  225   2HB   SER  30          HB1       SER  30  -1.243   9.776  -5.645
  226    HG   SER  30           HG       SER  30  -2.694   8.693  -3.666
  227    H    ASP  31           HN       ASP  31  -0.761   6.526  -3.307
  228    HA   ASP  31           HA       ASP  31   1.367   6.308  -1.460
  229   1HB   ASP  31          HB2       ASP  31   0.136   8.479  -0.711
  230   2HB   ASP  31          HB1       ASP  31  -1.089   7.366  -0.099
  231    H    GLY  32           HN       GLY  32   0.947   4.734   0.215
  232   1HA   GLY  32          HA2       GLY  32  -1.298   2.951  -0.504
  233   2HA   GLY  32          HA1       GLY  32   0.305   2.352  -0.102
  234    H    HIS  33           HN       HIS  33  -2.095   1.573   1.169
  235    HA   HIS  33           HA       HIS  33  -1.437   2.414   3.895
  236   1HB   HIS  33          HB2       HIS  33  -3.761   2.710   4.512
  237   2HB   HIS  33          HB1       HIS  33  -3.382   3.771   3.164
  238    HD1  HIS  33           HD1      HIS  33  -5.166   0.498   3.884
  239    HD2  HIS  33           HD2      HIS  33  -4.994   3.460   0.965
  240    HE1  HIS  33           HE1      HIS  33  -7.008  -0.036   2.258
  241    H    CYS  34           HN       CYS  34  -1.772   0.884   5.452
  242    HA   CYS  34           HA       CYS  34  -1.513  -1.806   4.740
  243   1HB   CYS  34          HB2       CYS  34  -0.883  -0.610   6.932
  244   2HB   CYS  34          HB1       CYS  34  -2.562  -0.846   7.400
  245    H    SER  35           HN       SER  35  -2.972  -3.525   4.719
  246    HA   SER  35           HA       SER  35  -5.777  -2.735   4.487
  247   1HB   SER  35          HB2       SER  35  -5.899  -5.156   3.512
  248   2HB   SER  35          HB1       SER  35  -5.207  -3.856   2.544
  249    HG   SER  35           HG       SER  35  -3.725  -5.417   2.397
  250    H    LYS  36           HN       LYS  36  -6.792  -5.394   4.825
  251    HA   LYS  36           HA       LYS  36  -6.161  -6.138   7.555
  252   1HB   LYS  36          HB2       LYS  36  -7.783  -4.387   7.933
  253   2HB   LYS  36          HB1       LYS  36  -8.882  -5.093   6.755
  254   1HG   LYS  36          HG2       LYS  36  -9.260  -6.998   8.163
  255   2HG   LYS  36          HG1       LYS  36  -8.037  -6.445   9.309
  256   1HD   LYS  36          HD2       LYS  36 -10.230  -5.924  10.171
  257   2HD   LYS  36          HD1       LYS  36  -9.406  -4.426   9.736
  258   1HE   LYS  36          HE2       LYS  36 -10.649  -4.351   7.633
  259   2HE   LYS  36          HE1       LYS  36 -11.460  -5.859   8.052
  260   1HZ   LYS  36          HZ1       LYS  36 -12.208  -4.595  10.128
  261   2HZ   LYS  36          HZ2       LYS  36 -12.967  -4.224   8.662
  262   3HZ   LYS  36          HZ3       LYS  36 -11.776  -3.195   9.282
  263    H    ILE  37           HN       ILE  37  -8.163  -6.666   4.691
  264    HA   ILE  37           HA       ILE  37  -9.265  -9.135   5.294
  265    HB   ILE  37           HB       ILE  37  -8.272  -8.344   2.560
  266   1HG1  ILE  37          HG12      ILE  37 -10.964  -7.657   3.746
  267   2HG1  ILE  37          HG11      ILE  37  -9.608  -6.533   3.721
  268   1HG2  ILE  37          HG21      ILE  37  -9.581 -10.625   3.464
  269   2HG2  ILE  37          HG22      ILE  37  -9.401 -10.101   1.789
  270   3HG2  ILE  37          HG23      ILE  37 -10.842  -9.655   2.703
  271   1HD1  ILE  37          HD11      ILE  37 -10.749  -5.900   1.843
  272   2HD1  ILE  37          HD12      ILE  37 -11.276  -7.542   1.476
  273   3HD1  ILE  37          HD13      ILE  37  -9.608  -7.060   1.161
  274    H    LEU  38           HN       LEU  38  -6.631  -8.880   2.930
  275    HA   LEU  38           HA       LEU  38  -5.628 -11.472   3.814
  276   1HB   LEU  38          HB2       LEU  38  -5.986 -10.861   1.367
  277   2HB   LEU  38          HB1       LEU  38  -4.611  -9.789   1.527
  278    HG   LEU  38           HG       LEU  38  -3.135 -11.628   1.974
  279   1HD1  LEU  38          HD11      LEU  38  -4.067 -13.985   1.799
  280   2HD1  LEU  38          HD12      LEU  38  -5.657 -13.262   2.040
  281   3HD1  LEU  38          HD13      LEU  38  -4.419 -13.105   3.286
  282   1HD2  LEU  38          HD21      LEU  38  -4.807 -11.550  -0.423
  283   2HD2  LEU  38          HD22      LEU  38  -4.000 -13.096  -0.164
  284   3HD2  LEU  38          HD23      LEU  38  -3.052 -11.612  -0.266
  285    H    ARG  39           HN       ARG  39  -5.199  -8.254   4.316
  286    HA   ARG  39           HA       ARG  39  -3.777  -6.960   5.481
  287   1HB   ARG  39          HB2       ARG  39  -3.921  -8.932   7.060
  288   2HB   ARG  39          HB1       ARG  39  -2.413  -9.506   6.363
  289   1HG   ARG  39          HG2       ARG  39  -1.960  -8.348   8.419
  290   2HG   ARG  39          HG1       ARG  39  -1.323  -7.408   7.067
  291   1HD   ARG  39          HD2       ARG  39  -3.445  -6.064   7.135
  292   2HD   ARG  39          HD1       ARG  39  -3.849  -6.902   8.632
  293    HE   ARG  39           HE       ARG  39  -2.047  -4.729   8.325
  294   1HH1  ARG  39          HH11      ARG  39  -2.574  -7.642  10.201
  295   2HH1  ARG  39          HH12      ARG  39  -1.593  -7.117  11.527
  296   1HH2  ARG  39          HH21      ARG  39  -0.755  -4.037  10.065
  297   2HH2  ARG  39          HH22      ARG  39  -0.551  -5.058  11.450
  298    H    ARG  40           HN       ARG  40  -3.178  -7.523   2.740
  299    HA   ARG  40           HA       ARG  40  -0.292  -7.789   2.673
  300   1HB   ARG  40          HB2       ARG  40  -2.320  -7.475   0.470
  301   2HB   ARG  40          HB1       ARG  40  -0.584  -7.507   0.187
  302   1HG   ARG  40          HG2       ARG  40  -0.563  -9.742   1.366
  303   2HG   ARG  40          HG1       ARG  40  -2.324  -9.702   1.268
  304   1HD   ARG  40          HD2       ARG  40  -0.397  -9.595  -1.048
  305   2HD   ARG  40          HD1       ARG  40  -1.394 -10.971  -0.581
  306    HE   ARG  40           HE       ARG  40  -3.058  -8.737  -1.023
  307   1HH1  ARG  40          HH11      ARG  40  -1.098 -11.090  -2.759
  308   2HH1  ARG  40          HH12      ARG  40  -1.962 -10.865  -4.251
  309   1HH2  ARG  40          HH21      ARG  40  -4.189  -8.473  -2.940
  310   2HH2  ARG  40          HH22      ARG  40  -3.736  -9.370  -4.357
  311    H    CYS  41           HN       CYS  41  -1.989  -5.491   0.593
  312    HA   CYS  41           HA       CYS  41  -1.305  -3.143   2.015
  313   1HB   CYS  41          HB2       CYS  41   0.979  -3.584   1.664
  314   2HB   CYS  41          HB1       CYS  41   0.708  -4.179   0.033
  315    H    LEU  42           HN       LEU  42  -3.071  -2.043   1.319
  316    HA   LEU  42           HA       LEU  42  -3.838  -2.118  -1.488
  317   1HB   LEU  42          HB2       LEU  42  -5.114  -1.179   1.016
  318   2HB   LEU  42          HB1       LEU  42  -5.547  -0.312  -0.440
  319    HG   LEU  42           HG       LEU  42  -6.098  -2.656  -1.402
  320   1HD1  LEU  42          HD11      LEU  42  -6.820  -3.532   1.279
  321   2HD1  LEU  42          HD12      LEU  42  -5.082  -3.508   0.979
  322   3HD1  LEU  42          HD13      LEU  42  -6.147  -4.441  -0.074
  323   1HD2  LEU  42          HD21      LEU  42  -8.346  -2.583  -0.232
  324   2HD2  LEU  42          HD22      LEU  42  -7.843  -1.118  -1.074
  325   3HD2  LEU  42          HD23      LEU  42  -7.709  -1.216   0.681
  326    H    CYS  43           HN       CYS  43  -3.119  -0.712  -2.919
  327    HA   CYS  43           HA       CYS  43  -1.893   1.770  -1.968
  328   1HB   CYS  43          HB2       CYS  43  -1.757   0.475  -4.698
  329   2HB   CYS  43          HB1       CYS  43  -0.882   1.910  -4.192
  330    H    THR  44           HN       THR  44  -2.592   3.743  -2.608
  331    HA   THR  44           HA       THR  44  -5.087   3.822  -4.174
  332    HB   THR  44           HB       THR  44  -5.355   6.077  -2.837
  333    HG1  THR  44           HG1      THR  44  -3.175   5.418  -1.780
  334   1HG2  THR  44          HG21      THR  44  -6.786   4.989  -1.292
  335   2HG2  THR  44          HG22      THR  44  -5.846   3.499  -1.361
  336   3HG2  THR  44          HG23      THR  44  -6.804   4.002  -2.753
  337    H    LYS  45           HN       LYS  45  -5.276   5.433  -5.745
  338    HA   LYS  45           HA       LYS  45  -3.269   7.470  -6.018
  339   1HB   LYS  45          HB2       LYS  45  -2.290   6.778  -8.082
  340   2HB   LYS  45          HB1       LYS  45  -2.123   5.446  -6.947
  341   1HG   LYS  45          HG2       LYS  45  -3.874   4.224  -8.003
  342   2HG   LYS  45          HG1       LYS  45  -4.315   5.610  -9.003
  343   1HD   LYS  45          HD2       LYS  45  -1.686   4.130  -9.116
  344   2HD   LYS  45          HD1       LYS  45  -3.018   3.941 -10.258
  345   1HE   LYS  45          HE2       LYS  45  -2.787   6.190 -11.015
  346   2HE   LYS  45          HE1       LYS  45  -1.651   6.569  -9.721
  347   1HZ   LYS  45          HZ1       LYS  45   0.038   5.436 -10.741
  348   2HZ   LYS  45          HZ2       LYS  45  -0.787   6.051 -12.089
  349   3HZ   LYS  45          HZ3       LYS  45  -1.001   4.436 -11.632
  350    H    GLU  46           HN       GLU  46  -3.573   8.723  -8.030
  351    HA   GLU  46           HA       GLU  46  -6.364   9.279  -8.414
  352   1HB   GLU  46          HB2       GLU  46  -5.480  11.121  -9.856
  353   2HB   GLU  46          HB1       GLU  46  -4.841  11.134  -8.217
  354   1HG   GLU  46          HG2       GLU  46  -2.838   9.890  -9.131
  355   2HG   GLU  46          HG1       GLU  46  -3.461  10.264 -10.737
  356    H    CYS  47           HN       CYS  47  -7.445   9.259 -10.413
  357    HA   CYS  47           HA       CYS  47  -6.387   8.355 -12.840
  358   1HB   CYS  47          HB2       CYS  47  -7.402   6.134 -12.997
  359   2HB   CYS  47          HB1       CYS  47  -6.223   6.182 -11.692
  Start of MODEL    9
    1   1H    ALA   1          HT1       ALA   1 -11.525  13.473  -7.326
    2   2H    ALA   1          HT2       ALA   1 -11.236  12.655  -5.874
    3   3H    ALA   1          HT3       ALA   1 -12.481  12.145  -6.901
    4    HA   ALA   1           HA       ALA   1 -11.157  10.930  -8.137
    5   1HB   ALA   1          HB1       ALA   1  -8.938  12.953  -7.973
    6   2HB   ALA   1          HB2       ALA   1 -10.318  13.158  -9.052
    7   3HB   ALA   1          HB3       ALA   1  -9.252  11.766  -9.238
    8    H    THR   2           HN       THR   2 -11.319  10.436  -5.452
    9    HA   THR   2           HA       THR   2  -8.588   9.841  -4.563
   10    HB   THR   2           HB       THR   2 -11.116   9.493  -2.950
   11    HG1  THR   2           HG1      THR   2  -9.842  11.715  -2.237
   12   1HG2  THR   2          HG21      THR   2  -9.515   8.515  -1.665
   13   2HG2  THR   2          HG22      THR   2  -9.187  10.186  -1.206
   14   3HG2  THR   2          HG23      THR   2  -8.200   9.399  -2.440
   15    H    CYS   3           HN       CYS   3  -7.909   7.899  -5.275
   16    HA   CYS   3           HA       CYS   3  -9.883   5.718  -5.325
   17   1HB   CYS   3          HB2       CYS   3  -7.431   6.124  -7.046
   18   2HB   CYS   3          HB1       CYS   3  -8.551   4.764  -7.160
   19    H    LYS   4           HN       LYS   4  -9.509   3.883  -4.294
   20    HA   LYS   4           HA       LYS   4  -6.853   3.394  -3.113
   21   1HB   LYS   4          HB2       LYS   4  -8.553   4.306  -1.451
   22   2HB   LYS   4          HB1       LYS   4  -9.489   2.847  -1.720
   23   1HG   LYS   4          HG2       LYS   4  -6.650   2.825  -0.714
   24   2HG   LYS   4          HG1       LYS   4  -8.055   2.875   0.346
   25   1HD   LYS   4          HD2       LYS   4  -7.455   0.698  -1.662
   26   2HD   LYS   4          HD1       LYS   4  -7.149   0.597   0.071
   27   1HE   LYS   4          HE2       LYS   4  -9.502   0.737   0.547
   28   2HE   LYS   4          HE1       LYS   4  -9.871   1.047  -1.148
   29   1HZ   LYS   4          HZ1       LYS   4 -10.293  -1.268  -0.490
   30   2HZ   LYS   4          HZ2       LYS   4  -8.657  -1.473  -0.111
   31   3HZ   LYS   4          HZ3       LYS   4  -9.126  -1.165  -1.708
   32    H    ALA   5           HN       ALA   5  -6.107   1.438  -3.515
   33    HA   ALA   5           HA       ALA   5  -7.814  -0.864  -3.777
   34   1HB   ALA   5          HB1       ALA   5  -6.228   0.064  -6.176
   35   2HB   ALA   5          HB2       ALA   5  -7.986   0.065  -6.042
   36   3HB   ALA   5          HB3       ALA   5  -7.102  -1.462  -6.042
   37    H    GLU   6           HN       GLU   6  -6.720  -2.556  -2.948
   38    HA   GLU   6           HA       GLU   6  -4.088  -2.236  -2.000
   39   1HB   GLU   6          HB2       GLU   6  -5.687  -4.792  -2.344
   40   2HB   GLU   6          HB1       GLU   6  -4.174  -4.666  -1.486
   41   1HG   GLU   6          HG2       GLU   6  -5.913  -4.706   0.117
   42   2HG   GLU   6          HG1       GLU   6  -5.229  -3.088   0.094
   43    H    CYS   7           HN       CYS   7  -2.168  -2.935  -2.765
   44    HA   CYS   7           HA       CYS   7  -1.697  -2.939  -5.484
   45   1HB   CYS   7          HB2       CYS   7   0.054  -2.648  -3.739
   46   2HB   CYS   7          HB1       CYS   7  -0.011  -4.379  -3.423
   47    HA   PRO   8           HA       PRO   8  -3.474  -6.758  -6.905
   48   1HB   PRO   8          HB2       PRO   8  -1.465  -6.362  -9.071
   49   2HB   PRO   8          HB1       PRO   8  -3.202  -6.663  -9.190
   50   1HG   PRO   8          HG2       PRO   8  -2.214  -4.231  -9.626
   51   2HG   PRO   8          HG1       PRO   8  -3.748  -4.448  -8.763
   52   1HD   PRO   8          HD2       PRO   8  -1.047  -3.765  -7.693
   53   2HD   PRO   8          HD1       PRO   8  -2.647  -3.210  -7.160
   54    H    THR   9           HN       THR   9   0.035  -6.261  -7.057
   55    HA   THR   9           HA       THR   9   0.493  -9.124  -6.799
   56    HB   THR   9           HB       THR   9   2.934  -8.429  -6.910
   57    HG1  THR   9           HG1      THR   9   2.258  -6.137  -6.320
   58   1HG2  THR   9          HG21      THR   9   2.199  -9.261  -8.923
   59   2HG2  THR   9          HG22      THR   9   2.613  -7.613  -9.397
   60   3HG2  THR   9          HG23      THR   9   0.932  -8.046  -9.087
   61    H    TRP  10           HN       TRP  10  -0.803  -8.064  -4.597
   62    HA   TRP  10           HA       TRP  10   1.176  -8.583  -2.545
   63   1HB   TRP  10          HB2       TRP  10   1.168  -6.101  -2.898
   64   2HB   TRP  10          HB1       TRP  10  -0.514  -6.086  -2.375
   65    HD1  TRP  10           HD1      TRP  10  -0.885  -7.168   0.218
   66    HE1  TRP  10           HE1      TRP  10   0.605  -6.795   2.302
   67    HE3  TRP  10           HE3      TRP  10   3.383  -5.580  -2.106
   68    HZ2  TRP  10           HZ2      TRP  10   3.253  -5.911   2.862
   69    HZ3  TRP  10           HZ3      TRP  10   5.329  -4.978  -0.733
   70    HH2  TRP  10           HH2      TRP  10   5.262  -5.146   1.697
   71    H    ASP  11           HN       ASP  11   0.001 -10.466  -2.272
   72    HA   ASP  11           HA       ASP  11  -2.700 -10.158  -1.163
   73   1HB   ASP  11          HB2       ASP  11  -2.991 -12.530  -1.566
   74   2HB   ASP  11          HB1       ASP  11  -2.414 -11.765  -3.044
   75    H    SER  12           HN       SER  12   0.476 -10.482  -0.305
   76    HA   SER  12           HA       SER  12   0.139 -12.141   2.013
   77   1HB   SER  12          HB2       SER  12   2.231 -11.929   0.541
   78   2HB   SER  12          HB1       SER  12   2.534 -10.421   1.403
   79    HG   SER  12           HG       SER  12   2.750 -13.038   2.264
   80    H    VAL  13           HN       VAL  13   1.449 -11.135   4.000
   81    HA   VAL  13           HA       VAL  13  -0.264  -9.039   5.016
   82    HB   VAL  13           HB       VAL  13   1.944 -10.615   6.353
   83   1HG1  VAL  13          HG11      VAL  13  -0.195  -9.252   7.895
   84   2HG1  VAL  13          HG12      VAL  13   1.133  -8.275   7.269
   85   3HG1  VAL  13          HG13      VAL  13   1.468  -9.628   8.349
   86   1HG2  VAL  13          HG21      VAL  13  -0.455 -11.369   7.468
   87   2HG2  VAL  13          HG22      VAL  13   0.465 -12.280   6.269
   88   3HG2  VAL  13          HG23      VAL  13  -0.838 -11.209   5.754
   89    H    CYS  14           HN       CYS  14   0.266  -6.963   5.258
   90    HA   CYS  14           HA       CYS  14   2.819  -6.014   4.308
   91   1HB   CYS  14          HB2       CYS  14   1.044  -4.632   3.657
   92   2HB   CYS  14          HB1       CYS  14   0.276  -4.712   5.238
   93    H    ILE  15           HN       ILE  15   4.542  -5.581   5.525
   94    HA   ILE  15           HA       ILE  15   4.258  -5.717   8.434
   95    HB   ILE  15           HB       ILE  15   6.787  -5.789   6.777
   96   1HG1  ILE  15          HG12      ILE  15   5.253  -8.062   8.064
   97   2HG1  ILE  15          HG11      ILE  15   5.316  -7.725   6.337
   98   1HG2  ILE  15          HG21      ILE  15   6.354  -5.441   9.564
   99   2HG2  ILE  15          HG22      ILE  15   7.882  -5.593   8.698
  100   3HG2  ILE  15          HG23      ILE  15   7.070  -7.033   9.312
  101   1HD1  ILE  15          HD11      ILE  15   7.205  -9.126   8.037
  102   2HD1  ILE  15          HD12      ILE  15   7.968  -7.895   7.030
  103   3HD1  ILE  15          HD13      ILE  15   7.003  -9.170   6.286
  104    H    ASN  16           HN       ASN  16   5.528  -3.628   5.881
  105    HA   ASN  16           HA       ASN  16   5.426  -1.372   7.732
  106   1HB   ASN  16          HB2       ASN  16   7.754  -2.323   7.749
  107   2HB   ASN  16          HB1       ASN  16   7.862  -1.969   6.031
  108   1HD2  ASN  16          HD21      ASN  16   8.382  -0.826   9.131
  109   2HD2  ASN  16          HD22      ASN  16   8.699   0.828   8.746
  110    H    LYS  17           HN       LYS  17   5.545   0.712   6.598
  111    HA   LYS  17           HA       LYS  17   3.847   0.785   4.350
  112   1HB   LYS  17          HB2       LYS  17   3.901   2.605   5.962
  113   2HB   LYS  17          HB1       LYS  17   5.583   2.937   5.577
  114   1HG   LYS  17          HG2       LYS  17   4.921   3.578   3.299
  115   2HG   LYS  17          HG1       LYS  17   3.233   3.286   3.723
  116   1HD   LYS  17          HD2       LYS  17   3.249   5.053   5.324
  117   2HD   LYS  17          HD1       LYS  17   5.000   5.229   5.200
  118   1HE   LYS  17          HE2       LYS  17   3.918   7.018   3.991
  119   2HE   LYS  17          HE1       LYS  17   4.736   5.948   2.856
  120   1HZ   LYS  17          HZ1       LYS  17   2.484   4.847   2.579
  121   2HZ   LYS  17          HZ2       LYS  17   2.665   6.391   1.906
  122   3HZ   LYS  17          HZ3       LYS  17   1.837   6.197   3.367
  123    H    LYS  18           HN       LYS  18   7.368   1.000   4.685
  124    HA   LYS  18           HA       LYS  18   8.051   1.981   2.193
  125   1HB   LYS  18          HB2       LYS  18   9.698   1.595   3.959
  126   2HB   LYS  18          HB1       LYS  18   9.523  -0.144   3.758
  127   1HG   LYS  18          HG2       LYS  18  11.531   0.645   2.659
  128   2HG   LYS  18          HG1       LYS  18  10.377   0.035   1.471
  129   1HD   LYS  18          HD2       LYS  18   9.617   2.463   1.223
  130   2HD   LYS  18          HD1       LYS  18  11.090   2.888   2.098
  131   1HE   LYS  18          HE2       LYS  18  11.487   3.037  -0.280
  132   2HE   LYS  18          HE1       LYS  18  12.411   1.693   0.391
  133   1HZ   LYS  18          HZ1       LYS  18   9.795   0.929  -0.524
  134   2HZ   LYS  18          HZ2       LYS  18  11.301   0.231  -0.852
  135   3HZ   LYS  18          HZ3       LYS  18  10.769   1.554  -1.759
  136    HA   PRO  19           HA       PRO  19   8.102  -2.601   0.346
  137   1HB   PRO  19          HB2       PRO  19   6.049  -3.739   2.194
  138   2HB   PRO  19          HB1       PRO  19   7.430  -4.538   1.441
  139   1HG   PRO  19          HG2       PRO  19   7.527  -3.903   3.998
  140   2HG   PRO  19          HG1       PRO  19   8.945  -3.619   2.969
  141   1HD   PRO  19          HD2       PRO  19   6.907  -1.663   3.967
  142   2HD   PRO  19          HD1       PRO  19   8.669  -1.483   3.838
  143    H    CYS  20           HN       CYS  20   5.182  -1.477   1.995
  144    HA   CYS  20           HA       CYS  20   3.311  -2.162   0.031
  145   1HB   CYS  20          HB2       CYS  20   2.796  -1.526   2.392
  146   2HB   CYS  20          HB1       CYS  20   3.175   0.144   1.991
  147    H    VAL  21           HN       VAL  21   4.943   0.962   0.643
  148    HA   VAL  21           HA       VAL  21   3.819   2.389  -1.482
  149    HB   VAL  21           HB       VAL  21   6.559   2.720  -0.236
  150   1HG1  VAL  21          HG11      VAL  21   5.072   4.345  -2.258
  151   2HG1  VAL  21          HG12      VAL  21   6.782   3.917  -2.202
  152   3HG1  VAL  21          HG13      VAL  21   6.143   5.142  -1.106
  153   1HG2  VAL  21          HG21      VAL  21   5.007   3.085   1.463
  154   2HG2  VAL  21          HG22      VAL  21   3.848   3.844   0.371
  155   3HG2  VAL  21          HG23      VAL  21   5.318   4.703   0.834
  156    H    ALA  22           HN       ALA  22   6.562   0.189  -1.390
  157    HA   ALA  22           HA       ALA  22   7.569   0.747  -3.970
  158   1HB   ALA  22          HB1       ALA  22   9.013  -0.981  -3.626
  159   2HB   ALA  22          HB2       ALA  22   7.780  -2.014  -2.902
  160   3HB   ALA  22          HB3       ALA  22   8.504  -0.712  -1.959
  161    H    CYS  23           HN       CYS  23   5.239  -1.662  -2.795
  162    HA   CYS  23           HA       CYS  23   4.739  -2.874  -5.305
  163   1HB   CYS  23          HB2       CYS  23   4.107  -3.634  -2.873
  164   2HB   CYS  23          HB1       CYS  23   2.645  -2.700  -3.158
  165    H    CYS  24           HN       CYS  24   3.169  -0.274  -3.515
  166    HA   CYS  24           HA       CYS  24   1.103   0.199  -5.370
  167   1HB   CYS  24          HB2       CYS  24   2.383   2.070  -3.372
  168   2HB   CYS  24          HB1       CYS  24   0.866   2.370  -4.212
  169    H    LYS  25           HN       LYS  25   4.403   1.404  -5.127
  170    HA   LYS  25           HA       LYS  25   4.138   3.449  -7.054
  171   1HB   LYS  25          HB2       LYS  25   6.021   3.130  -5.359
  172   2HB   LYS  25          HB1       LYS  25   6.692   1.958  -6.485
  173   1HG   LYS  25          HG2       LYS  25   7.674   4.237  -6.665
  174   2HG   LYS  25          HG1       LYS  25   6.978   3.626  -8.168
  175   1HD   LYS  25          HD2       LYS  25   6.374   5.966  -7.815
  176   2HD   LYS  25          HD1       LYS  25   4.946   4.932  -7.760
  177   1HE   LYS  25          HE2       LYS  25   5.245   4.930  -5.230
  178   2HE   LYS  25          HE1       LYS  25   6.389   6.249  -5.474
  179   1HZ   LYS  25          HZ1       LYS  25   3.495   6.214  -6.118
  180   2HZ   LYS  25          HZ2       LYS  25   4.546   7.405  -6.701
  181   3HZ   LYS  25          HZ3       LYS  25   4.306   7.234  -5.034
  182    H    LYS  26           HN       LYS  26   5.178   0.050  -7.324
  183    HA   LYS  26           HA       LYS  26   5.708   0.224 -10.111
  184   1HB   LYS  26          HB2       LYS  26   5.708  -2.249 -10.099
  185   2HB   LYS  26          HB1       LYS  26   6.714  -1.573  -8.830
  186   1HG   LYS  26          HG2       LYS  26   5.662  -3.279  -7.724
  187   2HG   LYS  26          HG1       LYS  26   4.598  -1.925  -7.350
  188   1HD   LYS  26          HD2       LYS  26   3.117  -3.614  -7.954
  189   2HD   LYS  26          HD1       LYS  26   3.277  -2.673  -9.438
  190   1HE   LYS  26          HE2       LYS  26   3.415  -4.964 -10.049
  191   2HE   LYS  26          HE1       LYS  26   5.047  -4.303 -10.158
  192   1HZ   LYS  26          HZ1       LYS  26   3.933  -5.993  -7.984
  193   2HZ   LYS  26          HZ2       LYS  26   5.434  -5.213  -7.890
  194   3HZ   LYS  26          HZ3       LYS  26   5.172  -6.397  -9.068
  195    H    ALA  27           HN       ALA  27   2.843  -0.189  -8.232
  196    HA   ALA  27           HA       ALA  27   1.201  -1.111 -10.423
  197   1HB   ALA  27          HB1       ALA  27  -0.516  -0.209  -8.455
  198   2HB   ALA  27          HB2       ALA  27   0.901  -0.746  -7.553
  199   3HB   ALA  27          HB3       ALA  27   0.076  -1.860  -8.643
  200    H    LYS  28           HN       LYS  28   2.622   1.722  -9.758
  201    HA   LYS  28           HA       LYS  28   2.476   3.804 -10.602
  202   1HB   LYS  28          HB2       LYS  28   1.472   2.465 -12.579
  203   2HB   LYS  28          HB1       LYS  28  -0.066   3.120 -12.037
  204   1HG   LYS  28          HG2       LYS  28   0.607   5.335 -12.475
  205   2HG   LYS  28          HG1       LYS  28   2.298   4.862 -12.658
  206   1HD   LYS  28          HD2       LYS  28   0.033   4.066 -14.487
  207   2HD   LYS  28          HD1       LYS  28   1.256   5.292 -14.828
  208   1HE   LYS  28          HE2       LYS  28   3.003   3.617 -14.756
  209   2HE   LYS  28          HE1       LYS  28   1.833   2.379 -14.302
  210   1HZ   LYS  28          HZ1       LYS  28   0.936   2.332 -16.401
  211   2HZ   LYS  28          HZ2       LYS  28   2.568   2.605 -16.751
  212   3HZ   LYS  28          HZ3       LYS  28   1.468   3.889 -16.800
  213    H    PHE  29           HN       PHE  29   1.340   3.178  -8.091
  214    HA   PHE  29           HA       PHE  29  -0.946   5.016  -7.925
  215   1HB   PHE  29          HB2       PHE  29   0.063   2.878  -6.064
  216   2HB   PHE  29          HB1       PHE  29  -1.024   4.137  -5.493
  217    HD1  PHE  29           HD1      PHE  29  -3.281   3.696  -5.525
  218    HD2  PHE  29           HD2      PHE  29  -0.752   1.678  -8.288
  219    HE1  PHE  29           HE1      PHE  29  -5.201   2.380  -6.315
  220    HE2  PHE  29           HE2      PHE  29  -2.669   0.362  -9.086
  221    HZ   PHE  29           HZ       PHE  29  -4.897   0.712  -8.101
  222    H    SER  30           HN       SER  30  -0.921   6.745  -6.476
  223    HA   SER  30           HA       SER  30   1.440   8.201  -6.375
  224   1HB   SER  30          HB2       SER  30  -0.802   8.728  -4.465
  225   2HB   SER  30          HB1       SER  30   0.148   9.874  -5.418
  226    HG   SER  30           HG       SER  30  -1.365   9.749  -6.881
  227    H    ASP  31           HN       ASP  31  -0.224   6.475  -3.735
  228    HA   ASP  31           HA       ASP  31   2.300   5.987  -2.426
  229   1HB   ASP  31          HB2       ASP  31   1.969   8.196  -1.567
  230   2HB   ASP  31          HB1       ASP  31   0.278   7.868  -1.201
  231    H    GLY  32           HN       GLY  32   2.222   4.370  -0.896
  232   1HA   GLY  32          HA2       GLY  32  -0.337   2.920  -0.759
  233   2HA   GLY  32          HA1       GLY  32   1.248   2.161  -0.692
  234    H    HIS  33           HN       HIS  33  -1.147   2.247   1.164
  235    HA   HIS  33           HA       HIS  33   0.407   2.914   3.567
  236   1HB   HIS  33          HB2       HIS  33  -1.733   3.661   4.656
  237   2HB   HIS  33          HB1       HIS  33  -1.140   4.721   3.386
  238    HD1  HIS  33           HD1      HIS  33  -2.414   4.353   0.972
  239    HD2  HIS  33           HD2      HIS  33  -4.332   2.940   4.379
  240    HE1  HIS  33           HE1      HIS  33  -4.810   4.022   0.309
  241    H    CYS  34           HN       CYS  34   0.428   1.452   5.099
  242    HA   CYS  34           HA       CYS  34  -0.580  -1.159   4.655
  243   1HB   CYS  34          HB2       CYS  34   1.490  -0.259   6.015
  244   2HB   CYS  34          HB1       CYS  34   0.335  -0.188   7.339
  245    H    SER  35           HN       SER  35  -2.455  -2.100   5.395
  246    HA   SER  35           HA       SER  35  -4.389  -0.333   6.630
  247   1HB   SER  35          HB2       SER  35  -5.981  -2.212   6.216
  248   2HB   SER  35          HB1       SER  35  -5.167  -1.628   4.766
  249    HG   SER  35           HG       SER  35  -3.993  -3.434   4.659
  250    H    LYS  36           HN       LYS  36  -5.946  -2.402   7.846
  251    HA   LYS  36           HA       LYS  36  -4.300  -3.153  10.156
  252   1HB   LYS  36          HB2       LYS  36  -5.403  -1.158  10.854
  253   2HB   LYS  36          HB1       LYS  36  -6.939  -1.691  10.184
  254   1HG   LYS  36          HG2       LYS  36  -7.049  -3.467  11.862
  255   2HG   LYS  36          HG1       LYS  36  -5.519  -2.912  12.543
  256   1HD   LYS  36          HD2       LYS  36  -8.023  -1.239  12.345
  257   2HD   LYS  36          HD1       LYS  36  -7.503  -2.102  13.793
  258   1HE   LYS  36          HE2       LYS  36  -5.454  -0.786  13.859
  259   2HE   LYS  36          HE1       LYS  36  -5.930   0.051  12.382
  260   1HZ   LYS  36          HZ1       LYS  36  -7.855   0.936  13.556
  261   2HZ   LYS  36          HZ2       LYS  36  -6.419   1.379  14.332
  262   3HZ   LYS  36          HZ3       LYS  36  -7.380   0.143  14.974
  263    H    ILE  37           HN       ILE  37  -7.188  -3.727   8.233
  264    HA   ILE  37           HA       ILE  37  -8.279  -5.870   9.660
  265    HB   ILE  37           HB       ILE  37  -8.385  -5.762   6.667
  266   1HG1  ILE  37          HG12      ILE  37 -10.161  -4.088   8.440
  267   2HG1  ILE  37          HG11      ILE  37  -8.720  -3.443   7.655
  268   1HG2  ILE  37          HG21      ILE  37 -10.803  -6.403   7.212
  269   2HG2  ILE  37          HG22      ILE  37 -10.220  -6.687   8.852
  270   3HG2  ILE  37          HG23      ILE  37  -9.549  -7.608   7.507
  271   1HD1  ILE  37          HD11      ILE  37  -9.962  -4.590   5.548
  272   2HD1  ILE  37          HD12      ILE  37 -10.165  -2.903   6.026
  273   3HD1  ILE  37          HD13      ILE  37 -11.348  -4.110   6.530
  274    H    LEU  38           HN       LEU  38  -7.423  -6.758   6.453
  275    HA   LEU  38           HA       LEU  38  -6.187  -9.194   7.360
  276   1HB   LEU  38          HB2       LEU  38  -7.737  -8.968   5.371
  277   2HB   LEU  38          HB1       LEU  38  -6.425  -8.170   4.534
  278    HG   LEU  38           HG       LEU  38  -5.049 -10.176   4.750
  279   1HD1  LEU  38          HD11      LEU  38  -7.415 -11.744   5.662
  280   2HD1  LEU  38          HD12      LEU  38  -6.426 -10.902   6.854
  281   3HD1  LEU  38          HD13      LEU  38  -5.697 -12.114   5.800
  282   1HD2  LEU  38          HD21      LEU  38  -6.376  -9.903   2.744
  283   2HD2  LEU  38          HD22      LEU  38  -7.767 -10.647   3.532
  284   3HD2  LEU  38          HD23      LEU  38  -6.326 -11.607   3.198
  285    H    ARG  39           HN       ARG  39  -5.118  -6.215   7.179
  286    HA   ARG  39           HA       ARG  39  -3.121  -5.174   7.173
  287   1HB   ARG  39          HB2       ARG  39  -2.595  -7.229   8.588
  288   2HB   ARG  39          HB1       ARG  39  -1.843  -7.902   7.150
  289   1HG   ARG  39          HG2       ARG  39  -0.166  -6.933   8.555
  290   2HG   ARG  39          HG1       ARG  39  -0.316  -5.977   7.081
  291   1HD   ARG  39          HD2       ARG  39  -1.626  -4.313   8.257
  292   2HD   ARG  39          HD1       ARG  39  -1.600  -5.293   9.724
  293    HE   ARG  39           HE       ARG  39   1.045  -4.844   8.936
  294   1HH1  ARG  39          HH11      ARG  39  -1.681  -2.947  10.036
  295   2HH1  ARG  39          HH12      ARG  39  -0.703  -1.788  10.870
  296   1HH2  ARG  39          HH21      ARG  39   2.344  -3.307  10.017
  297   2HH2  ARG  39          HH22      ARG  39   1.595  -1.993  10.861
  298    H    ARG  40           HN       ARG  40  -4.431  -5.834   4.689
  299    HA   ARG  40           HA       ARG  40  -2.424  -6.548   2.760
  300   1HB   ARG  40          HB2       ARG  40  -5.226  -5.481   2.563
  301   2HB   ARG  40          HB1       ARG  40  -4.198  -5.568   1.141
  302   1HG   ARG  40          HG2       ARG  40  -3.909  -8.007   1.603
  303   2HG   ARG  40          HG1       ARG  40  -5.133  -7.845   2.866
  304   1HD   ARG  40          HD2       ARG  40  -6.753  -7.073   1.218
  305   2HD   ARG  40          HD1       ARG  40  -5.529  -7.167  -0.048
  306    HE   ARG  40           HE       ARG  40  -7.079  -9.317   1.007
  307   1HH1  ARG  40          HH11      ARG  40  -4.042  -8.467  -0.486
  308   2HH1  ARG  40          HH12      ARG  40  -3.680 -10.081  -0.994
  309   1HH2  ARG  40          HH21      ARG  40  -6.600 -11.486   0.322
  310   2HH2  ARG  40          HH22      ARG  40  -5.123 -11.797  -0.530
  311    H    CYS  41           HN       CYS  41  -1.647  -5.121   1.076
  312    HA   CYS  41           HA       CYS  41  -0.938  -2.516   2.129
  313   1HB   CYS  41          HB2       CYS  41   0.858  -3.707   1.118
  314   2HB   CYS  41          HB1       CYS  41  -0.098  -4.079  -0.310
  315    H    LEU  42           HN       LEU  42  -2.625  -1.131   1.978
  316    HA   LEU  42           HA       LEU  42  -4.301  -1.051  -0.372
  317   1HB   LEU  42          HB2       LEU  42  -4.195   0.468   2.217
  318   2HB   LEU  42          HB1       LEU  42  -5.150   1.088   0.888
  319    HG   LEU  42           HG       LEU  42  -6.525  -0.941   0.910
  320   1HD1  LEU  42          HD11      LEU  42  -4.582  -2.348   1.873
  321   2HD1  LEU  42          HD12      LEU  42  -6.237  -2.724   2.355
  322   3HD1  LEU  42          HD13      LEU  42  -5.189  -1.808   3.438
  323   1HD2  LEU  42          HD21      LEU  42  -7.836   0.036   2.413
  324   2HD2  LEU  42          HD22      LEU  42  -6.484   1.100   2.803
  325   3HD2  LEU  42          HD23      LEU  42  -6.738  -0.380   3.729
  326    H    CYS  43           HN       CYS  43  -3.855   0.083  -2.145
  327    HA   CYS  43           HA       CYS  43  -1.813   2.178  -1.967
  328   1HB   CYS  43          HB2       CYS  43  -2.876   0.724  -4.397
  329   2HB   CYS  43          HB1       CYS  43  -1.562   1.893  -4.385
  330    H    THR  44           HN       THR  44  -2.251   4.246  -2.488
  331    HA   THR  44           HA       THR  44  -4.986   4.850  -3.411
  332    HB   THR  44           HB       THR  44  -4.237   7.135  -2.145
  333    HG1  THR  44           HG1      THR  44  -2.365   6.101  -1.265
  334   1HG2  THR  44          HG21      THR  44  -5.781   6.480  -0.381
  335   2HG2  THR  44          HG22      THR  44  -5.639   4.789  -0.860
  336   3HG2  THR  44          HG23      THR  44  -6.391   5.953  -1.950
  337    H    LYS  45           HN       LYS  45  -5.226   6.358  -4.970
  338    HA   LYS  45           HA       LYS  45  -3.108   8.089  -5.812
  339   1HB   LYS  45          HB2       LYS  45  -2.740   7.242  -8.026
  340   2HB   LYS  45          HB1       LYS  45  -2.424   5.934  -6.898
  341   1HG   LYS  45          HG2       LYS  45  -4.363   4.788  -7.498
  342   2HG   LYS  45          HG1       LYS  45  -5.092   6.219  -8.225
  343   1HD   LYS  45          HD2       LYS  45  -2.610   4.908  -9.328
  344   2HD   LYS  45          HD1       LYS  45  -4.242   4.467  -9.841
  345   1HE   LYS  45          HE2       LYS  45  -3.955   6.071 -11.388
  346   2HE   LYS  45          HE1       LYS  45  -4.344   7.162 -10.061
  347   1HZ   LYS  45          HZ1       LYS  45  -2.089   7.260 -11.562
  348   2HZ   LYS  45          HZ2       LYS  45  -1.550   6.481 -10.163
  349   3HZ   LYS  45          HZ3       LYS  45  -2.296   8.005 -10.057
  350    H    GLU  46           HN       GLU  46  -3.734   9.334  -7.717
  351    HA   GLU  46           HA       GLU  46  -6.466  10.180  -7.464
  352   1HB   GLU  46          HB2       GLU  46  -5.801  12.011  -8.934
  353   2HB   GLU  46          HB1       GLU  46  -4.627  11.810  -7.649
  354   1HG   GLU  46          HG2       GLU  46  -4.316  10.918 -10.509
  355   2HG   GLU  46          HG1       GLU  46  -3.538  12.304  -9.756
  356    H    CYS  47           HN       CYS  47  -8.112   9.518  -8.711
  357    HA   CYS  47           HA       CYS  47  -7.861   9.048 -11.472
  358   1HB   CYS  47          HB2       CYS  47  -7.948   6.776 -11.732
  359   2HB   CYS  47          HB1       CYS  47  -6.978   6.864 -10.274
  Start of MODEL   10
    1   1H    ALA   1          HT1       ALA   1 -11.921  10.463  -6.570
    2   2H    ALA   1          HT2       ALA   1 -12.371   9.918  -8.108
    3   3H    ALA   1          HT3       ALA   1 -12.671  11.519  -7.657
    4    HA   ALA   1           HA       ALA   1 -10.574  10.704  -9.088
    5   1HB   ALA   1          HB1       ALA   1 -10.651  13.079  -7.228
    6   2HB   ALA   1          HB2       ALA   1 -11.408  13.004  -8.819
    7   3HB   ALA   1          HB3       ALA   1  -9.653  12.911  -8.673
    8    H    THR   2           HN       THR   2 -10.493   8.824  -7.043
    9    HA   THR   2           HA       THR   2  -7.746   9.092  -6.174
   10    HB   THR   2           HB       THR   2  -9.877   8.475  -4.117
   11    HG1  THR   2           HG1      THR   2  -8.647  10.917  -4.854
   12   1HG2  THR   2          HG21      THR   2  -6.954   8.432  -4.174
   13   2HG2  THR   2          HG22      THR   2  -8.074   7.673  -3.043
   14   3HG2  THR   2          HG23      THR   2  -7.616   9.362  -2.829
   15    H    CYS   3           HN       CYS   3  -6.784   7.183  -6.522
   16    HA   CYS   3           HA       CYS   3  -8.497   4.791  -6.623
   17   1HB   CYS   3          HB2       CYS   3  -6.126   5.607  -8.288
   18   2HB   CYS   3          HB1       CYS   3  -6.636   3.921  -8.183
   19    H    LYS   4           HN       LYS   4  -8.066   3.172  -5.319
   20    HA   LYS   4           HA       LYS   4  -5.485   3.114  -3.883
   21   1HB   LYS   4          HB2       LYS   4  -7.524   3.750  -2.514
   22   2HB   LYS   4          HB1       LYS   4  -8.172   2.156  -2.852
   23   1HG   LYS   4          HG2       LYS   4  -5.547   2.600  -1.446
   24   2HG   LYS   4          HG1       LYS   4  -7.087   2.462  -0.603
   25   1HD   LYS   4          HD2       LYS   4  -5.810   0.362  -2.359
   26   2HD   LYS   4          HD1       LYS   4  -5.907   0.332  -0.599
   27   1HE   LYS   4          HE2       LYS   4  -8.289   0.109  -0.668
   28   2HE   LYS   4          HE1       LYS   4  -8.317   0.387  -2.409
   29   1HZ   LYS   4          HZ1       LYS   4  -7.503  -1.705  -2.845
   30   2HZ   LYS   4          HZ2       LYS   4  -8.449  -2.018  -1.482
   31   3HZ   LYS   4          HZ3       LYS   4  -6.767  -1.879  -1.328
   32    H    ALA   5           HN       ALA   5  -4.394   1.236  -3.908
   33    HA   ALA   5           HA       ALA   5  -5.638  -1.301  -4.394
   34   1HB   ALA   5          HB1       ALA   5  -3.655  -0.565  -6.507
   35   2HB   ALA   5          HB2       ALA   5  -5.346  -0.107  -6.705
   36   3HB   ALA   5          HB3       ALA   5  -4.908  -1.806  -6.528
   37    H    GLU   6           HN       GLU   6  -4.367  -2.904  -3.562
   38    HA   GLU   6           HA       GLU   6  -2.080  -2.169  -2.072
   39   1HB   GLU   6          HB2       GLU   6  -3.025  -4.946  -2.845
   40   2HB   GLU   6          HB1       GLU   6  -1.791  -4.591  -1.662
   41   1HG   GLU   6          HG2       GLU   6  -3.963  -5.164  -0.661
   42   2HG   GLU   6          HG1       GLU   6  -3.373  -3.575  -0.191
   43    H    CYS   7           HN       CYS   7   0.054  -2.407  -2.500
   44    HA   CYS   7           HA       CYS   7   0.966  -2.202  -5.113
   45   1HB   CYS   7          HB2       CYS   7   2.276  -1.541  -3.101
   46   2HB   CYS   7          HB1       CYS   7   2.549  -3.244  -2.749
   47    HA   PRO   8           HA       PRO   8   0.388  -6.343  -6.651
   48   1HB   PRO   8          HB2       PRO   8   2.172  -6.037  -8.769
   49   2HB   PRO   8          HB1       PRO   8   0.455  -5.628  -8.808
   50   1HG   PRO   8          HG2       PRO   8   2.818  -3.858  -8.382
   51   2HG   PRO   8          HG1       PRO   8   1.315  -3.535  -9.266
   52   1HD   PRO   8          HD2       PRO   8   1.748  -2.519  -6.823
   53   2HD   PRO   8          HD1       PRO   8   0.132  -3.059  -7.327
   54    H    THR   9           HN       THR   9   3.622  -4.927  -6.441
   55    HA   THR   9           HA       THR   9   4.851  -7.535  -6.129
   56    HB   THR   9           HB       THR   9   6.966  -6.191  -5.889
   57    HG1  THR   9           HG1      THR   9   5.345  -4.233  -5.385
   58   1HG2  THR   9          HG21      THR   9   6.654  -6.967  -8.053
   59   2HG2  THR   9          HG22      THR   9   6.778  -5.225  -8.301
   60   3HG2  THR   9          HG23      THR   9   5.196  -6.004  -8.297
   61    H    TRP  10           HN       TRP  10   3.003  -7.076  -4.118
   62    HA   TRP  10           HA       TRP  10   4.752  -7.029  -1.787
   63   1HB   TRP  10          HB2       TRP  10   3.892  -4.694  -2.118
   64   2HB   TRP  10          HB1       TRP  10   2.260  -5.322  -1.910
   65    HD1  TRP  10           HD1      TRP  10   1.591  -6.206   0.564
   66    HE1  TRP  10           HE1      TRP  10   2.572  -5.617   2.889
   67    HE3  TRP  10           HE3      TRP  10   5.954  -4.018  -0.936
   68    HZ2  TRP  10           HZ2      TRP  10   4.905  -4.341   3.920
   69    HZ3  TRP  10           HZ3      TRP  10   7.481  -3.120   0.763
   70    HH2  TRP  10           HH2      TRP  10   6.966  -3.286   3.139
   71    H    ASP  11           HN       ASP  11   4.298  -8.720  -0.597
   72    HA   ASP  11           HA       ASP  11   1.566  -9.443  -0.020
   73   1HB   ASP  11          HB2       ASP  11   2.469 -10.739  -2.147
   74   2HB   ASP  11          HB1       ASP  11   3.273 -11.726  -0.926
   75    H    SER  12           HN       SER  12   2.713  -8.416   1.854
   76    HA   SER  12           HA       SER  12   3.439 -10.460   3.718
   77   1HB   SER  12          HB2       SER  12   5.602  -9.935   2.487
   78   2HB   SER  12          HB1       SER  12   5.505  -8.315   3.176
   79    HG   SER  12           HG       SER  12   6.266 -10.669   4.336
   80    H    VAL  13           HN       VAL  13   4.215  -9.203   5.840
   81    HA   VAL  13           HA       VAL  13   2.020  -7.471   6.499
   82    HB   VAL  13           HB       VAL  13   4.379  -8.336   8.183
   83   1HG1  VAL  13          HG11      VAL  13   2.847  -7.757  10.085
   84   2HG1  VAL  13          HG12      VAL  13   1.800  -6.962   8.909
   85   3HG1  VAL  13          HG13      VAL  13   3.445  -6.379   9.161
   86   1HG2  VAL  13          HG21      VAL  13   2.353  -9.908   7.189
   87   2HG2  VAL  13          HG22      VAL  13   1.770  -9.474   8.796
   88   3HG2  VAL  13          HG23      VAL  13   3.336 -10.264   8.610
   89    H    CYS  14           HN       CYS  14   2.015  -5.371   6.190
   90    HA   CYS  14           HA       CYS  14   4.437  -3.893   5.678
   91   1HB   CYS  14          HB2       CYS  14   2.298  -3.480   4.461
   92   2HB   CYS  14          HB1       CYS  14   1.584  -2.915   5.964
   93    H    ILE  15           HN       ILE  15   5.679  -3.455   7.417
   94    HA   ILE  15           HA       ILE  15   4.376  -2.717   9.936
   95    HB   ILE  15           HB       ILE  15   7.294  -3.321   9.410
   96   1HG1  ILE  15          HG12      ILE  15   5.160  -5.043  10.697
   97   2HG1  ILE  15          HG11      ILE  15   5.802  -5.276   9.075
   98   1HG2  ILE  15          HG21      ILE  15   6.381  -1.852  11.442
   99   2HG2  ILE  15          HG22      ILE  15   7.733  -2.972  11.611
  100   3HG2  ILE  15          HG23      ILE  15   6.117  -3.457  12.125
  101   1HD1  ILE  15          HD11      ILE  15   8.040  -5.641  10.074
  102   2HD1  ILE  15          HD12      ILE  15   6.837  -6.837  10.559
  103   3HD1  ILE  15          HD13      ILE  15   7.296  -5.547  11.671
  104    H    ASN  16           HN       ASN  16   7.132  -1.645   7.961
  105    HA   ASN  16           HA       ASN  16   6.853   1.045   9.067
  106   1HB   ASN  16          HB2       ASN  16   9.106  -0.161   8.922
  107   2HB   ASN  16          HB1       ASN  16   9.009   0.079   7.182
  108   1HD2  ASN  16          HD21      ASN  16  10.351   1.259   9.874
  109   2HD2  ASN  16          HD22      ASN  16  10.549   2.916   9.424
  110    H    LYS  17           HN       LYS  17   6.526   2.845   7.742
  111    HA   LYS  17           HA       LYS  17   4.846   2.409   5.501
  112   1HB   LYS  17          HB2       LYS  17   6.085   4.942   6.577
  113   2HB   LYS  17          HB1       LYS  17   4.896   4.897   5.282
  114   1HG   LYS  17          HG2       LYS  17   3.320   3.787   6.856
  115   2HG   LYS  17          HG1       LYS  17   4.504   4.036   8.140
  116   1HD   LYS  17          HD2       LYS  17   3.292   6.237   6.468
  117   2HD   LYS  17          HD1       LYS  17   2.730   5.773   8.074
  118   1HE   LYS  17          HE2       LYS  17   5.520   6.723   7.436
  119   2HE   LYS  17          HE1       LYS  17   4.236   7.746   8.078
  120   1HZ   LYS  17          HZ1       LYS  17   4.548   5.399   9.647
  121   2HZ   LYS  17          HZ2       LYS  17   4.648   7.021  10.118
  122   3HZ   LYS  17          HZ3       LYS  17   6.018   6.228   9.523
  123    H    LYS  18           HN       LYS  18   8.251   3.237   5.839
  124    HA   LYS  18           HA       LYS  18   8.828   4.213   3.324
  125   1HB   LYS  18          HB2       LYS  18  10.380   3.945   5.341
  126   2HB   LYS  18          HB1       LYS  18  10.666   2.310   4.771
  127   1HG   LYS  18          HG2       LYS  18  11.124   4.698   3.013
  128   2HG   LYS  18          HG1       LYS  18  12.353   4.111   4.131
  129   1HD   LYS  18          HD2       LYS  18  12.321   1.930   3.029
  130   2HD   LYS  18          HD1       LYS  18  11.067   2.499   1.926
  131   1HE   LYS  18          HE2       LYS  18  12.603   4.205   1.070
  132   2HE   LYS  18          HE1       LYS  18  13.855   3.625   2.167
  133   1HZ   LYS  18          HZ1       LYS  18  13.092   1.384   0.843
  134   2HZ   LYS  18          HZ2       LYS  18  14.455   2.319   0.484
  135   3HZ   LYS  18          HZ3       LYS  18  13.012   2.568  -0.363
  136    HA   PRO  19           HA       PRO  19   9.619  -0.447   1.757
  137   1HB   PRO  19          HB2       PRO  19   7.530  -1.621   3.554
  138   2HB   PRO  19          HB1       PRO  19   8.986  -2.379   2.905
  139   1HG   PRO  19          HG2       PRO  19   8.957  -1.586   5.412
  140   2HG   PRO  19          HG1       PRO  19  10.383  -1.241   4.410
  141   1HD   PRO  19          HD2       PRO  19   8.168   0.588   5.250
  142   2HD   PRO  19          HD1       PRO  19   9.909   0.911   5.125
  143    H    CYS  20           HN       CYS  20   6.432   0.406   3.058
  144    HA   CYS  20           HA       CYS  20   4.931  -0.602   0.901
  145   1HB   CYS  20          HB2       CYS  20   4.041  -0.132   3.180
  146   2HB   CYS  20          HB1       CYS  20   4.167   1.590   2.843
  147    H    VAL  21           HN       VAL  21   5.756   2.789   1.729
  148    HA   VAL  21           HA       VAL  21   4.651   4.021  -0.515
  149    HB   VAL  21           HB       VAL  21   7.165   4.835   0.976
  150   1HG1  VAL  21          HG11      VAL  21   7.234   6.758  -0.187
  151   2HG1  VAL  21          HG12      VAL  21   5.477   6.894  -0.261
  152   3HG1  VAL  21          HG13      VAL  21   6.329   5.851  -1.400
  153   1HG2  VAL  21          HG21      VAL  21   5.100   6.506   1.728
  154   2HG2  VAL  21          HG22      VAL  21   5.761   5.174   2.677
  155   3HG2  VAL  21          HG23      VAL  21   4.342   4.915   1.662
  156    H    ALA  22           HN       ALA  22   7.917   2.663  -0.072
  157    HA   ALA  22           HA       ALA  22   8.971   3.368  -2.574
  158   1HB   ALA  22          HB1       ALA  22   9.696   1.597  -0.395
  159   2HB   ALA  22          HB2       ALA  22  10.725   2.535  -1.478
  160   3HB   ALA  22          HB3       ALA  22  10.153   0.939  -1.966
  161    H    CYS  23           HN       CYS  23   7.156   0.512  -1.546
  162    HA   CYS  23           HA       CYS  23   7.298  -0.928  -3.961
  163   1HB   CYS  23          HB2       CYS  23   6.428  -1.669  -1.626
  164   2HB   CYS  23          HB1       CYS  23   4.896  -0.976  -2.140
  165    H    CYS  24           HN       CYS  24   4.953   1.358  -2.683
  166    HA   CYS  24           HA       CYS  24   3.156   1.342  -4.827
  167   1HB   CYS  24          HB2       CYS  24   3.796   3.492  -2.805
  168   2HB   CYS  24          HB1       CYS  24   2.397   3.513  -3.872
  169    H    LYS  25           HN       LYS  25   6.046   3.315  -4.233
  170    HA   LYS  25           HA       LYS  25   5.646   5.093  -6.371
  171   1HB   LYS  25          HB2       LYS  25   8.292   4.189  -5.222
  172   2HB   LYS  25          HB1       LYS  25   8.033   5.611  -6.221
  173   1HG   LYS  25          HG2       LYS  25   7.224   5.129  -3.382
  174   2HG   LYS  25          HG1       LYS  25   8.160   6.457  -4.063
  175   1HD   LYS  25          HD2       LYS  25   5.222   5.975  -4.565
  176   2HD   LYS  25          HD1       LYS  25   5.870   7.117  -3.388
  177   1HE   LYS  25          HE2       LYS  25   6.424   7.210  -6.348
  178   2HE   LYS  25          HE1       LYS  25   5.179   8.157  -5.535
  179   1HZ   LYS  25          HZ1       LYS  25   7.050   9.030  -4.103
  180   2HZ   LYS  25          HZ2       LYS  25   7.025   9.560  -5.708
  181   3HZ   LYS  25          HZ3       LYS  25   8.115   8.358  -5.234
  182    H    LYS  26           HN       LYS  26   7.307   1.946  -6.237
  183    HA   LYS  26           HA       LYS  26   8.186   2.070  -8.943
  184   1HB   LYS  26          HB2       LYS  26   9.057  -0.034  -8.661
  185   2HB   LYS  26          HB1       LYS  26   8.930   0.455  -6.980
  186   1HG   LYS  26          HG2       LYS  26   7.033  -0.887  -6.622
  187   2HG   LYS  26          HG1       LYS  26   6.767  -1.112  -8.352
  188   1HD   LYS  26          HD2       LYS  26   7.720  -3.130  -7.729
  189   2HD   LYS  26          HD1       LYS  26   9.112  -2.220  -8.315
  190   1HE   LYS  26          HE2       LYS  26   9.792  -3.242  -6.296
  191   2HE   LYS  26          HE1       LYS  26   9.519  -1.540  -5.919
  192   1HZ   LYS  26          HZ1       LYS  26   7.619  -2.015  -4.745
  193   2HZ   LYS  26          HZ2       LYS  26   8.564  -3.368  -4.378
  194   3HZ   LYS  26          HZ3       LYS  26   7.338  -3.482  -5.543
  195    H    ALA  27           HN       ALA  27   5.233   1.090  -7.382
  196    HA   ALA  27           HA       ALA  27   4.120  -0.180  -9.721
  197   1HB   ALA  27          HB1       ALA  27   3.466   0.004  -6.938
  198   2HB   ALA  27          HB2       ALA  27   2.858  -1.119  -8.155
  199   3HB   ALA  27          HB3       ALA  27   2.059   0.434  -7.911
  200    H    LYS  28           HN       LYS  28   4.847   2.879  -9.162
  201    HA   LYS  28           HA       LYS  28   4.296   4.853 -10.094
  202   1HB   LYS  28          HB2       LYS  28   3.837   3.312 -12.086
  203   2HB   LYS  28          HB1       LYS  28   2.137   3.473 -11.675
  204   1HG   LYS  28          HG2       LYS  28   2.173   5.812 -12.104
  205   2HG   LYS  28          HG1       LYS  28   3.932   5.818 -12.247
  206   1HD   LYS  28          HD2       LYS  28   2.026   4.373 -14.091
  207   2HD   LYS  28          HD1       LYS  28   2.828   5.906 -14.443
  208   1HE   LYS  28          HE2       LYS  28   5.006   4.811 -14.278
  209   2HE   LYS  28          HE1       LYS  28   4.217   3.282 -13.896
  210   1HZ   LYS  28          HZ1       LYS  28   4.788   3.284 -16.192
  211   2HZ   LYS  28          HZ2       LYS  28   4.056   4.787 -16.449
  212   3HZ   LYS  28          HZ3       LYS  28   3.106   3.433 -16.093
  213    H    PHE  29           HN       PHE  29   3.316   4.420  -7.646
  214    HA   PHE  29           HA       PHE  29   0.673   5.723  -7.719
  215   1HB   PHE  29          HB2       PHE  29   1.701   3.657  -5.775
  216   2HB   PHE  29          HB1       PHE  29   0.404   4.761  -5.345
  217    HD1  PHE  29           HD1      PHE  29  -1.774   4.173  -5.773
  218    HD2  PHE  29           HD2      PHE  29   1.340   2.275  -7.962
  219    HE1  PHE  29           HE1      PHE  29  -3.419   2.643  -6.775
  220    HE2  PHE  29           HE2      PHE  29  -0.300   0.745  -8.973
  221    HZ   PHE  29           HZ       PHE  29  -2.682   0.927  -8.380
  222    H    SER  30           HN       SER  30   0.377   7.419  -6.253
  223    HA   SER  30           HA       SER  30   2.755   8.873  -5.661
  224   1HB   SER  30          HB2       SER  30  -0.026   9.602  -4.766
  225   2HB   SER  30          HB1       SER  30   1.317  10.678  -5.158
  226    HG   SER  30           HG       SER  30   0.389  10.744  -7.053
  227    H    ASP  31           HN       ASP  31   0.279   7.286  -3.693
  228    HA   ASP  31           HA       ASP  31   1.983   7.691  -1.317
  229   1HB   ASP  31          HB2       ASP  31   0.065   8.987  -0.936
  230   2HB   ASP  31          HB1       ASP  31  -0.998   7.808  -1.690
  231    H    GLY  32           HN       GLY  32   1.936   6.110   0.307
  232   1HA   GLY  32          HA2       GLY  32   0.871   3.473  -0.346
  233   2HA   GLY  32          HA1       GLY  32   2.616   3.611  -0.136
  234    H    HIS  33           HN       HIS  33   0.012   2.612   1.450
  235    HA   HIS  33           HA       HIS  33   1.215   3.205   4.040
  236   1HB   HIS  33          HB2       HIS  33  -0.890   3.997   5.006
  237   2HB   HIS  33          HB1       HIS  33  -0.380   5.034   3.681
  238    HD1  HIS  33           HD1      HIS  33  -3.014   2.549   4.643
  239    HD2  HIS  33           HD2      HIS  33  -2.086   5.020   1.435
  240    HE1  HIS  33           HE1      HIS  33  -5.039   2.522   3.155
  241    H    CYS  34           HN       CYS  34   0.861   1.684   5.577
  242    HA   CYS  34           HA       CYS  34   0.072  -0.908   4.761
  243   1HB   CYS  34          HB2       CYS  34   0.320   0.044   7.615
  244   2HB   CYS  34          HB1       CYS  34   0.563  -1.585   6.997
  245    H    SER  35           HN       SER  35  -1.777  -2.128   5.338
  246    HA   SER  35           HA       SER  35  -4.129  -0.497   5.885
  247   1HB   SER  35          HB2       SER  35  -5.338  -2.677   5.318
  248   2HB   SER  35          HB1       SER  35  -4.440  -1.901   4.014
  249    HG   SER  35           HG       SER  35  -2.924  -3.434   4.103
  250    H    LYS  36           HN       LYS  36  -5.757  -2.590   6.888
  251    HA   LYS  36           HA       LYS  36  -4.668  -2.867   9.606
  252   1HB   LYS  36          HB2       LYS  36  -6.491  -1.303   9.616
  253   2HB   LYS  36          HB1       LYS  36  -7.504  -2.397   8.685
  254   1HG   LYS  36          HG2       LYS  36  -7.538  -3.960  10.567
  255   2HG   LYS  36          HG1       LYS  36  -6.539  -2.846  11.503
  256   1HD   LYS  36          HD2       LYS  36  -8.294  -1.150  11.365
  257   2HD   LYS  36          HD1       LYS  36  -9.288  -2.250  10.407
  258   1HE   LYS  36          HE2       LYS  36  -9.341  -3.824  12.285
  259   2HE   LYS  36          HE1       LYS  36  -8.358  -2.715  13.240
  260   1HZ   LYS  36          HZ1       LYS  36 -10.087  -1.208  13.419
  261   2HZ   LYS  36          HZ2       LYS  36 -10.888  -2.692  13.550
  262   3HZ   LYS  36          HZ3       LYS  36 -10.929  -1.836  12.092
  263    H    ILE  37           HN       ILE  37  -6.510  -4.429   7.049
  264    HA   ILE  37           HA       ILE  37  -7.197  -6.765   8.473
  265    HB   ILE  37           HB       ILE  37  -6.811  -6.662   5.491
  266   1HG1  ILE  37          HG12      ILE  37  -9.268  -5.757   7.006
  267   2HG1  ILE  37          HG11      ILE  37  -8.096  -4.662   6.279
  268   1HG2  ILE  37          HG21      ILE  37  -8.044  -8.547   5.409
  269   2HG2  ILE  37          HG22      ILE  37  -9.130  -8.013   6.692
  270   3HG2  ILE  37          HG23      ILE  37  -7.563  -8.714   7.098
  271   1HD1  ILE  37          HD11      ILE  37  -8.707  -6.249   4.169
  272   2HD1  ILE  37          HD12      ILE  37  -9.491  -4.711   4.533
  273   3HD1  ILE  37          HD13      ILE  37 -10.239  -6.224   5.043
  274    H    LEU  38           HN       LEU  38  -5.514  -7.503   5.566
  275    HA   LEU  38           HA       LEU  38  -3.787  -9.332   6.949
  276   1HB   LEU  38          HB2       LEU  38  -4.852  -9.734   4.700
  277   2HB   LEU  38          HB1       LEU  38  -3.720  -8.580   4.031
  278    HG   LEU  38           HG       LEU  38  -1.851  -9.997   4.778
  279   1HD1  LEU  38          HD11      LEU  38  -3.470 -11.099   6.553
  280   2HD1  LEU  38          HD12      LEU  38  -2.083 -11.969   5.896
  281   3HD1  LEU  38          HD13      LEU  38  -3.698 -12.272   5.256
  282   1HD2  LEU  38          HD21      LEU  38  -1.898 -11.196   2.870
  283   2HD2  LEU  38          HD22      LEU  38  -3.367 -10.271   2.562
  284   3HD2  LEU  38          HD23      LEU  38  -3.474 -11.902   3.226
  285    H    ARG  39           HN       ARG  39  -3.616  -6.202   6.771
  286    HA   ARG  39           HA       ARG  39  -2.048  -4.599   7.004
  287   1HB   ARG  39          HB2       ARG  39  -1.244  -6.379   8.663
  288   2HB   ARG  39          HB1       ARG  39  -0.038  -6.796   7.455
  289   1HG   ARG  39          HG2       ARG  39   0.939  -5.326   9.067
  290   2HG   ARG  39          HG1       ARG  39   0.788  -4.472   7.531
  291   1HD   ARG  39          HD2       ARG  39  -1.257  -3.386   8.353
  292   2HD   ARG  39          HD1       ARG  39  -1.069  -4.221   9.896
  293    HE   ARG  39           HE       ARG  39   1.301  -2.817   9.307
  294   1HH1  ARG  39          HH11      ARG  39  -2.030  -2.159  10.164
  295   2HH1  ARG  39          HH12      ARG  39  -1.657  -0.699  11.017
  296   1HH2  ARG  39          HH21      ARG  39   1.799  -0.887  10.410
  297   2HH2  ARG  39          HH22      ARG  39   0.532   0.031  11.157
  298    H    ARG  40           HN       ARG  40  -2.560  -5.764   4.386
  299    HA   ARG  40           HA       ARG  40  -0.118  -5.933   2.920
  300   1HB   ARG  40          HB2       ARG  40  -2.999  -5.591   2.136
  301   2HB   ARG  40          HB1       ARG  40  -1.724  -5.439   0.937
  302   1HG   ARG  40          HG2       ARG  40  -0.976  -7.712   1.451
  303   2HG   ARG  40          HG1       ARG  40  -2.272  -7.861   2.641
  304   1HD   ARG  40          HD2       ARG  40  -3.938  -7.563   0.892
  305   2HD   ARG  40          HD1       ARG  40  -2.665  -7.338  -0.306
  306    HE   ARG  40           HE       ARG  40  -3.608  -9.822   0.788
  307   1HH1  ARG  40          HH11      ARG  40  -0.972  -8.236  -0.901
  308   2HH1  ARG  40          HH12      ARG  40  -0.236  -9.725  -1.404
  309   1HH2  ARG  40          HH21      ARG  40  -2.599 -11.784   0.116
  310   2HH2  ARG  40          HH22      ARG  40  -1.130 -11.718  -0.819
  311    H    CYS  41           HN       CYS  41   0.672  -4.393   1.377
  312    HA   CYS  41           HA       CYS  41   0.629  -1.704   2.381
  313   1HB   CYS  41          HB2       CYS  41   2.721  -2.554   1.572
  314   2HB   CYS  41          HB1       CYS  41   2.006  -3.012   0.032
  315    H    LEU  42           HN       LEU  42  -1.036  -0.413   1.937
  316    HA   LEU  42           HA       LEU  42  -2.523  -0.731  -0.546
  317   1HB   LEU  42          HB2       LEU  42  -2.975   0.656   2.046
  318   2HB   LEU  42          HB1       LEU  42  -3.752   1.341   0.629
  319    HG   LEU  42           HG       LEU  42  -4.918  -0.772   0.230
  320   1HD1  LEU  42          HD11      LEU  42  -4.450  -2.090   2.713
  321   2HD1  LEU  42          HD12      LEU  42  -2.911  -1.841   1.889
  322   3HD1  LEU  42          HD13      LEU  42  -4.221  -2.693   1.072
  323   1HD2  LEU  42          HD21      LEU  42  -6.491  -0.599   1.965
  324   2HD2  LEU  42          HD22      LEU  42  -5.784   1.010   1.822
  325   3HD2  LEU  42          HD23      LEU  42  -5.276  -0.064   3.126
  326    H    CYS  43           HN       CYS  43  -2.140   0.448  -2.271
  327    HA   CYS  43           HA       CYS  43  -0.488   2.850  -1.970
  328   1HB   CYS  43          HB2       CYS  43  -1.028   1.140  -4.407
  329   2HB   CYS  43          HB1       CYS  43   0.021   2.553  -4.365
  330    H    THR  44           HN       THR  44  -1.270   4.795  -2.547
  331    HA   THR  44           HA       THR  44  -3.892   4.856  -3.882
  332    HB   THR  44           HB       THR  44  -3.526   7.111  -2.124
  333    HG1  THR  44           HG1      THR  44  -2.686   6.016  -0.476
  334   1HG2  THR  44          HG21      THR  44  -5.763   6.726  -1.588
  335   2HG2  THR  44          HG22      THR  44  -5.632   4.992  -1.879
  336   3HG2  THR  44          HG23      THR  44  -5.625   6.117  -3.237
  337    H    LYS  45           HN       LYS  45  -4.290   6.619  -5.185
  338    HA   LYS  45           HA       LYS  45  -2.422   8.750  -5.486
  339   1HB   LYS  45          HB2       LYS  45  -1.674   8.278  -7.750
  340   2HB   LYS  45          HB1       LYS  45  -1.161   7.007  -6.653
  341   1HG   LYS  45          HG2       LYS  45  -2.968   5.576  -7.459
  342   2HG   LYS  45          HG1       LYS  45  -3.487   6.857  -8.561
  343   1HD   LYS  45          HD2       LYS  45  -1.364   6.770  -9.716
  344   2HD   LYS  45          HD1       LYS  45  -0.756   5.578  -8.566
  345   1HE   LYS  45          HE2       LYS  45  -2.584   4.049  -9.309
  346   2HE   LYS  45          HE1       LYS  45  -2.980   5.222 -10.565
  347   1HZ   LYS  45          HZ1       LYS  45  -0.200   4.637 -10.566
  348   2HZ   LYS  45          HZ2       LYS  45  -1.331   4.467 -11.817
  349   3HZ   LYS  45          HZ3       LYS  45  -1.103   3.210 -10.709
  350    H    GLU  46           HN       GLU  46  -2.958   9.996  -7.573
  351    HA   GLU  46           HA       GLU  46  -5.776  10.530  -7.500
  352   1HB   GLU  46          HB2       GLU  46  -5.106  12.323  -9.178
  353   2HB   GLU  46          HB1       GLU  46  -4.385  12.437  -7.578
  354   1HG   GLU  46          HG2       GLU  46  -2.390  11.211  -8.547
  355   2HG   GLU  46          HG1       GLU  46  -3.106  11.509 -10.129
  356    H    CYS  47           HN       CYS  47  -7.164  10.518  -9.290
  357    HA   CYS  47           HA       CYS  47  -6.512   9.505 -11.833
  358   1HB   CYS  47          HB2       CYS  47  -7.680   7.352 -11.736
  359   2HB   CYS  47          HB1       CYS  47  -6.309   7.367 -10.633
  Start of MODEL   11
    1   1H    ALA   1          HT1       ALA   1  -8.406  11.068 -10.158
    2   2H    ALA   1          HT2       ALA   1  -9.771  10.935 -11.144
    3   3H    ALA   1          HT3       ALA   1  -8.385  10.021 -11.488
    4    HA   ALA   1           HA       ALA   1 -10.307   9.698  -9.282
    5   1HB   ALA   1          HB1       ALA   1  -9.616   8.267 -11.724
    6   2HB   ALA   1          HB2       ALA   1 -11.075   8.181 -10.735
    7   3HB   ALA   1          HB3       ALA   1  -9.655   7.231 -10.297
    8    H    THR   2           HN       THR   2  -9.696   7.714  -7.918
    9    HA   THR   2           HA       THR   2  -6.835   7.869  -7.249
   10    HB   THR   2           HB       THR   2  -9.062   7.370  -5.266
   11    HG1  THR   2           HG1      THR   2  -8.078   9.709  -4.767
   12   1HG2  THR   2          HG21      THR   2  -7.450   7.130  -3.723
   13   2HG2  THR   2          HG22      THR   2  -6.551   8.521  -4.329
   14   3HG2  THR   2          HG23      THR   2  -6.339   6.939  -5.080
   15    H    CYS   3           HN       CYS   3  -6.003   6.036  -7.988
   16    HA   CYS   3           HA       CYS   3  -7.531   3.567  -7.869
   17   1HB   CYS   3          HB2       CYS   3  -4.962   4.373  -9.217
   18   2HB   CYS   3          HB1       CYS   3  -5.465   2.685  -9.119
   19    H    LYS   4           HN       LYS   4  -7.081   1.867  -6.598
   20    HA   LYS   4           HA       LYS   4  -4.730   2.031  -4.832
   21   1HB   LYS   4          HB2       LYS   4  -6.647   2.754  -3.533
   22   2HB   LYS   4          HB1       LYS   4  -7.567   1.344  -4.042
   23   1HG   LYS   4          HG2       LYS   4  -5.637   0.005  -2.942
   24   2HG   LYS   4          HG1       LYS   4  -5.300   1.525  -2.110
   25   1HD   LYS   4          HD2       LYS   4  -6.763   0.067  -0.792
   26   2HD   LYS   4          HD1       LYS   4  -7.568   1.573  -1.238
   27   1HE   LYS   4          HE2       LYS   4  -9.015  -0.428  -1.497
   28   2HE   LYS   4          HE1       LYS   4  -8.784   0.466  -2.997
   29   1HZ   LYS   4          HZ1       LYS   4  -7.073  -1.852  -2.340
   30   2HZ   LYS   4          HZ2       LYS   4  -7.402  -1.173  -3.857
   31   3HZ   LYS   4          HZ3       LYS   4  -8.592  -2.071  -3.054
   32    H    ALA   5           HN       ALA   5  -3.528   0.315  -5.003
   33    HA   ALA   5           HA       ALA   5  -4.678  -2.340  -5.174
   34   1HB   ALA   5          HB1       ALA   5  -3.766  -2.995  -7.211
   35   2HB   ALA   5          HB2       ALA   5  -2.633  -1.644  -7.251
   36   3HB   ALA   5          HB3       ALA   5  -4.347  -1.367  -7.560
   37    H    GLU   6           HN       GLU   6  -3.281  -3.888  -4.357
   38    HA   GLU   6           HA       GLU   6  -1.255  -2.973  -2.631
   39   1HB   GLU   6          HB2       GLU   6  -1.630  -5.830  -3.543
   40   2HB   GLU   6          HB1       GLU   6  -0.960  -5.256  -2.025
   41   1HG   GLU   6          HG2       GLU   6  -3.066  -4.504  -1.258
   42   2HG   GLU   6          HG1       GLU   6  -3.799  -4.731  -2.842
   43    H    CYS   7           HN       CYS   7   0.923  -3.000  -2.796
   44    HA   CYS   7           HA       CYS   7   2.127  -2.584  -5.258
   45   1HB   CYS   7          HB2       CYS   7   3.044  -1.978  -2.964
   46   2HB   CYS   7          HB1       CYS   7   3.586  -3.647  -2.830
   47    HA   PRO   8           HA       PRO   8   2.159  -6.615  -7.140
   48   1HB   PRO   8          HB2       PRO   8   4.585  -5.469  -8.450
   49   2HB   PRO   8          HB1       PRO   8   3.190  -6.277  -9.175
   50   1HG   PRO   8          HG2       PRO   8   3.433  -3.634  -9.308
   51   2HG   PRO   8          HG1       PRO   8   1.851  -4.386  -9.030
   52   1HD   PRO   8          HD2       PRO   8   3.645  -2.975  -7.111
   53   2HD   PRO   8          HD1       PRO   8   1.872  -3.021  -7.177
   54    H    THR   9           HN       THR   9   5.184  -5.176  -5.998
   55    HA   THR   9           HA       THR   9   6.335  -7.819  -5.570
   56    HB   THR   9           HB       THR   9   8.373  -6.526  -4.885
   57    HG1  THR   9           HG1      THR   9   7.128  -4.607  -4.297
   58   1HG2  THR   9          HG21      THR   9   7.522  -7.141  -7.369
   59   2HG2  THR   9          HG22      THR   9   9.072  -6.369  -7.037
   60   3HG2  THR   9          HG23      THR   9   7.688  -5.392  -7.527
   61    H    TRP  10           HN       TRP  10   4.187  -7.567  -3.989
   62    HA   TRP  10           HA       TRP  10   5.339  -7.594  -1.344
   63   1HB   TRP  10          HB2       TRP  10   4.629  -5.175  -1.859
   64   2HB   TRP  10          HB1       TRP  10   2.975  -5.776  -1.794
   65    HD1  TRP  10           HD1      TRP  10   2.280  -6.971   0.642
   66    HE1  TRP  10           HE1      TRP  10   2.964  -6.250   3.024
   67    HE3  TRP  10           HE3      TRP  10   6.338  -4.095  -0.525
   68    HZ2  TRP  10           HZ2      TRP  10   4.971  -4.640   4.236
   69    HZ3  TRP  10           HZ3      TRP  10   7.576  -2.996   1.294
   70    HH2  TRP  10           HH2      TRP  10   6.904  -3.267   3.622
   71    H    ASP  11           HN       ASP  11   4.282  -8.970  -0.040
   72    HA   ASP  11           HA       ASP  11   1.570  -9.826  -0.618
   73   1HB   ASP  11          HB2       ASP  11   2.229 -12.235  -0.638
   74   2HB   ASP  11          HB1       ASP  11   2.833 -11.342  -2.028
   75    H    SER  12           HN       SER  12   4.390  -9.796   1.367
   76    HA   SER  12           HA       SER  12   3.352 -11.241   3.560
   77   1HB   SER  12          HB2       SER  12   5.655  -9.289   3.490
   78   2HB   SER  12          HB1       SER  12   5.367 -10.533   4.707
   79    HG   SER  12           HG       SER  12   5.378 -11.550   2.162
   80    H    VAL  13           HN       VAL  13   3.533 -10.174   5.800
   81    HA   VAL  13           HA       VAL  13   1.438  -8.225   5.977
   82    HB   VAL  13           HB       VAL  13   3.142  -9.518   8.118
   83   1HG1  VAL  13          HG11      VAL  13   0.837  -8.794   9.357
   84   2HG1  VAL  13          HG12      VAL  13   1.078  -7.440   8.253
   85   3HG1  VAL  13          HG13      VAL  13   2.338  -7.870   9.409
   86   1HG2  VAL  13          HG21      VAL  13   1.140 -10.611   6.514
   87   2HG2  VAL  13          HG22      VAL  13   0.366 -10.289   8.066
   88   3HG2  VAL  13          HG23      VAL  13   1.814 -11.294   7.994
   89    H    CYS  14           HN       CYS  14   1.625  -6.098   6.262
   90    HA   CYS  14           HA       CYS  14   4.161  -4.814   6.095
   91   1HB   CYS  14          HB2       CYS  14   2.579  -3.500   5.095
   92   2HB   CYS  14          HB1       CYS  14   1.319  -3.964   6.232
   93    H    ILE  15           HN       ILE  15   5.467  -4.166   7.651
   94    HA   ILE  15           HA       ILE  15   4.593  -4.429  10.431
   95    HB   ILE  15           HB       ILE  15   7.405  -4.078   9.369
   96   1HG1  ILE  15          HG12      ILE  15   5.996  -6.613  10.241
   97   2HG1  ILE  15          HG11      ILE  15   6.346  -6.176   8.572
   98   1HG2  ILE  15          HG21      ILE  15   6.625  -3.569  11.861
   99   2HG2  ILE  15          HG22      ILE  15   8.180  -4.316  11.496
  100   3HG2  ILE  15          HG23      ILE  15   6.819  -5.317  12.000
  101   1HD1  ILE  15          HD11      ILE  15   8.074  -7.595   9.030
  102   2HD1  ILE  15          HD12      ILE  15   8.182  -7.098  10.719
  103   3HD1  ILE  15          HD13      ILE  15   8.807  -6.046   9.449
  104    H    ASN  16           HN       ASN  16   5.595  -2.098   8.061
  105    HA   ASN  16           HA       ASN  16   4.939   0.056   9.872
  106   1HB   ASN  16          HB2       ASN  16   7.368  -0.425  10.279
  107   2HB   ASN  16          HB1       ASN  16   7.683  -0.035   8.593
  108   1HD2  ASN  16          HD21      ASN  16   7.379   1.155  11.724
  109   2HD2  ASN  16          HD22      ASN  16   7.440   2.843  11.359
  110    H    LYS  17           HN       LYS  17   4.626   2.057   8.809
  111    HA   LYS  17           HA       LYS  17   3.390   1.904   6.299
  112   1HB   LYS  17          HB2       LYS  17   2.791   3.551   7.989
  113   2HB   LYS  17          HB1       LYS  17   4.376   4.292   7.870
  114   1HG   LYS  17          HG2       LYS  17   3.097   5.741   6.642
  115   2HG   LYS  17          HG1       LYS  17   3.701   4.668   5.379
  116   1HD   LYS  17          HD2       LYS  17   1.655   3.589   5.144
  117   2HD   LYS  17          HD1       LYS  17   1.091   4.103   6.735
  118   1HE   LYS  17          HE2       LYS  17  -0.069   5.324   4.974
  119   2HE   LYS  17          HE1       LYS  17   0.931   6.412   5.934
  120   1HZ   LYS  17          HZ1       LYS  17   2.598   6.363   4.191
  121   2HZ   LYS  17          HZ2       LYS  17   1.112   6.867   3.553
  122   3HZ   LYS  17          HZ3       LYS  17   1.663   5.287   3.282
  123    H    LYS  18           HN       LYS  18   6.617   3.055   7.236
  124    HA   LYS  18           HA       LYS  18   7.406   4.287   4.900
  125   1HB   LYS  18          HB2       LYS  18   8.714   4.322   6.978
  126   2HB   LYS  18          HB1       LYS  18   9.161   2.640   6.725
  127   1HG   LYS  18          HG2       LYS  18  10.353   3.239   4.694
  128   2HG   LYS  18          HG1       LYS  18   9.864   4.923   4.887
  129   1HD   LYS  18          HD2       LYS  18  12.134   4.643   5.668
  130   2HD   LYS  18          HD1       LYS  18  11.079   4.996   7.036
  131   1HE   LYS  18          HE2       LYS  18  11.012   2.624   7.605
  132   2HE   LYS  18          HE1       LYS  18  12.039   2.255   6.220
  133   1HZ   LYS  18          HZ1       LYS  18  13.251   2.377   8.352
  134   2HZ   LYS  18          HZ2       LYS  18  12.845   4.015   8.470
  135   3HZ   LYS  18          HZ3       LYS  18  13.825   3.477   7.202
  136    HA   PRO  19           HA       PRO  19   9.275  -0.015   3.237
  137   1HB   PRO  19          HB2       PRO  19   7.140  -1.680   4.515
  138   2HB   PRO  19          HB1       PRO  19   8.801  -2.120   4.109
  139   1HG   PRO  19          HG2       PRO  19   8.167  -1.588   6.615
  140   2HG   PRO  19          HG1       PRO  19   9.683  -0.962   5.937
  141   1HD   PRO  19          HD2       PRO  19   7.117   0.467   6.483
  142   2HD   PRO  19          HD1       PRO  19   8.788   1.040   6.660
  143    H    CYS  20           HN       CYS  20   5.814   0.254   3.950
  144    HA   CYS  20           HA       CYS  20   4.879  -0.751   1.494
  145   1HB   CYS  20          HB2       CYS  20   3.509  -0.536   3.565
  146   2HB   CYS  20          HB1       CYS  20   3.510   1.211   3.351
  147    H    VAL  21           HN       VAL  21   5.316   2.596   2.644
  148    HA   VAL  21           HA       VAL  21   4.505   3.916   0.316
  149    HB   VAL  21           HB       VAL  21   6.649   4.811   2.261
  150   1HG1  VAL  21          HG11      VAL  21   6.239   5.957  -0.089
  151   2HG1  VAL  21          HG12      VAL  21   6.561   6.907   1.362
  152   3HG1  VAL  21          HG13      VAL  21   4.906   6.712   0.784
  153   1HG2  VAL  21          HG21      VAL  21   4.763   6.120   3.274
  154   2HG2  VAL  21          HG22      VAL  21   4.671   4.374   3.504
  155   3HG2  VAL  21          HG23      VAL  21   3.660   5.158   2.291
  156    H    ALA  22           HN       ALA  22   7.661   2.598   1.228
  157    HA   ALA  22           HA       ALA  22   9.143   3.635  -0.922
  158   1HB   ALA  22          HB1       ALA  22   9.810   0.944   0.156
  159   2HB   ALA  22          HB2       ALA  22   9.857   2.324   1.252
  160   3HB   ALA  22          HB3       ALA  22  10.863   2.314  -0.197
  161    H    CYS  23           HN       CYS  23   7.409   0.549  -0.572
  162    HA   CYS  23           HA       CYS  23   8.074  -0.511  -3.101
  163   1HB   CYS  23          HB2       CYS  23   6.941  -1.643  -1.044
  164   2HB   CYS  23          HB1       CYS  23   5.441  -1.051  -1.742
  165    H    CYS  24           HN       CYS  24   5.316   1.350  -1.959
  166    HA   CYS  24           HA       CYS  24   3.908   1.471  -4.394
  167   1HB   CYS  24          HB2       CYS  24   3.879   3.335  -2.015
  168   2HB   CYS  24          HB1       CYS  24   2.669   3.309  -3.289
  169    H    LYS  25           HN       LYS  25   6.347   3.594  -2.959
  170    HA   LYS  25           HA       LYS  25   6.073   5.712  -4.783
  171   1HB   LYS  25          HB2       LYS  25   7.328   5.679  -2.554
  172   2HB   LYS  25          HB1       LYS  25   8.665   4.966  -3.447
  173   1HG   LYS  25          HG2       LYS  25   8.850   7.418  -3.146
  174   2HG   LYS  25          HG1       LYS  25   8.860   6.907  -4.835
  175   1HD   LYS  25          HD2       LYS  25   7.450   8.890  -4.486
  176   2HD   LYS  25          HD1       LYS  25   6.512   7.508  -5.054
  177   1HE   LYS  25          HE2       LYS  25   5.930   7.054  -2.646
  178   2HE   LYS  25          HE1       LYS  25   6.669   8.607  -2.253
  179   1HZ   LYS  25          HZ1       LYS  25   4.347   8.163  -4.053
  180   2HZ   LYS  25          HZ2       LYS  25   5.086   9.662  -3.783
  181   3HZ   LYS  25          HZ3       LYS  25   4.303   8.866  -2.512
  182    H    LYS  26           HN       LYS  26   8.295   2.918  -4.804
  183    HA   LYS  26           HA       LYS  26   9.547   3.672  -7.234
  184   1HB   LYS  26          HB2       LYS  26  10.446   1.391  -7.297
  185   2HB   LYS  26          HB1       LYS  26  10.633   2.112  -5.705
  186   1HG   LYS  26          HG2       LYS  26   8.821   0.823  -4.837
  187   2HG   LYS  26          HG1       LYS  26   8.419   0.219  -6.445
  188   1HD   LYS  26          HD2       LYS  26  10.589  -0.920  -6.549
  189   2HD   LYS  26          HD1       LYS  26  10.971  -0.326  -4.930
  190   1HE   LYS  26          HE2       LYS  26  10.134  -2.666  -4.967
  191   2HE   LYS  26          HE1       LYS  26   9.162  -1.576  -3.977
  192   1HZ   LYS  26          HZ1       LYS  26   8.411  -2.036  -6.782
  193   2HZ   LYS  26          HZ2       LYS  26   7.433  -1.619  -5.465
  194   3HZ   LYS  26          HZ3       LYS  26   8.016  -3.204  -5.618
  195    H    ALA  27           HN       ALA  27   6.597   1.970  -6.493
  196    HA   ALA  27           HA       ALA  27   6.264   1.004  -9.210
  197   1HB   ALA  27          HB1       ALA  27   5.094  -0.509  -8.070
  198   2HB   ALA  27          HB2       ALA  27   3.828   0.712  -7.932
  199   3HB   ALA  27          HB3       ALA  27   5.013   0.519  -6.639
  200    H    LYS  28           HN       LYS  28   6.181   3.952  -8.036
  201    HA   LYS  28           HA       LYS  28   5.340   5.935  -8.642
  202   1HB   LYS  28          HB2       LYS  28   5.583   4.796 -10.980
  203   2HB   LYS  28          HB1       LYS  28   3.828   4.730 -10.935
  204   1HG   LYS  28          HG2       LYS  28   5.396   7.280 -10.575
  205   2HG   LYS  28          HG1       LYS  28   4.811   6.708 -12.136
  206   1HD   LYS  28          HD2       LYS  28   2.538   6.903 -11.445
  207   2HD   LYS  28          HD1       LYS  28   3.006   7.171  -9.767
  208   1HE   LYS  28          HE2       LYS  28   4.043   9.303 -10.416
  209   2HE   LYS  28          HE1       LYS  28   3.535   9.032 -12.083
  210   1HZ   LYS  28          HZ1       LYS  28   2.097  10.398 -10.276
  211   2HZ   LYS  28          HZ2       LYS  28   1.412   8.863 -10.108
  212   3HZ   LYS  28          HZ3       LYS  28   1.430   9.620 -11.618
  213    H    PHE  29           HN       PHE  29   4.145   5.467  -6.626
  214    HA   PHE  29           HA       PHE  29   1.278   5.840  -7.142
  215   1HB   PHE  29          HB2       PHE  29   2.496   4.000  -5.085
  216   2HB   PHE  29          HB1       PHE  29   0.874   4.650  -4.896
  217    HD1  PHE  29           HD1      PHE  29  -0.954   3.695  -6.005
  218    HD2  PHE  29           HD2      PHE  29   3.000   2.556  -7.086
  219    HE1  PHE  29           HE1      PHE  29  -1.858   1.838  -7.341
  220    HE2  PHE  29           HE2      PHE  29   2.101   0.703  -8.429
  221    HZ   PHE  29           HZ       PHE  29  -0.330   0.340  -8.557
  222    H    SER  30           HN       SER  30   0.250   7.280  -5.719
  223    HA   SER  30           HA       SER  30   1.789   9.428  -4.829
  224   1HB   SER  30          HB2       SER  30  -0.976   8.749  -3.821
  225   2HB   SER  30          HB1       SER  30  -0.247  10.348  -3.982
  226    HG   SER  30           HG       SER  30  -0.537  10.288  -6.127
  227    H    ASP  31           HN       ASP  31   0.233   6.835  -2.979
  228    HA   ASP  31           HA       ASP  31   2.320   6.850  -1.023
  229   1HB   ASP  31          HB2       ASP  31   0.878   8.793  -0.276
  230   2HB   ASP  31          HB1       ASP  31  -0.426   7.636  -0.020
  231    H    GLY  32           HN       GLY  32   2.149   5.094   0.436
  232   1HA   GLY  32          HA2       GLY  32   0.202   3.048  -0.435
  233   2HA   GLY  32          HA1       GLY  32   1.837   2.684   0.112
  234    H    HIS  33           HN       HIS  33  -0.902   1.900   1.083
  235    HA   HIS  33           HA       HIS  33  -0.380   2.532   3.901
  236   1HB   HIS  33          HB2       HIS  33  -2.758   2.913   4.323
  237   2HB   HIS  33          HB1       HIS  33  -2.150   4.055   3.137
  238    HD1  HIS  33           HD1      HIS  33  -4.511   1.200   3.549
  239    HD2  HIS  33           HD2      HIS  33  -3.208   3.719   0.515
  240    HE1  HIS  33           HE1      HIS  33  -6.085   0.820   1.629
  241    H    CYS  34           HN       CYS  34  -0.538   0.862   5.193
  242    HA   CYS  34           HA       CYS  34  -0.900  -1.753   4.118
  243   1HB   CYS  34          HB2       CYS  34  -0.718  -1.011   7.039
  244   2HB   CYS  34          HB1       CYS  34  -0.226  -2.519   6.270
  245    H    SER  35           HN       SER  35  -2.652  -3.067   4.188
  246    HA   SER  35           HA       SER  35  -5.177  -1.907   4.821
  247   1HB   SER  35          HB2       SER  35  -6.046  -4.212   4.208
  248   2HB   SER  35          HB1       SER  35  -5.123  -3.377   2.960
  249    HG   SER  35           HG       SER  35  -3.936  -5.096   2.939
  250    H    LYS  36           HN       LYS  36  -6.796  -3.566   5.971
  251    HA   LYS  36           HA       LYS  36  -5.795  -3.769   8.697
  252   1HB   LYS  36          HB2       LYS  36  -7.852  -2.569   8.479
  253   2HB   LYS  36          HB1       LYS  36  -8.573  -3.856   7.523
  254   1HG   LYS  36          HG2       LYS  36  -8.586  -5.322   9.450
  255   2HG   LYS  36          HG1       LYS  36  -7.788  -4.083  10.421
  256   1HD   LYS  36          HD2       LYS  36  -9.705  -2.621  10.190
  257   2HD   LYS  36          HD1       LYS  36 -10.491  -3.779   9.114
  258   1HE   LYS  36          HE2       LYS  36 -11.384  -3.897  11.397
  259   2HE   LYS  36          HE1       LYS  36 -10.613  -5.405  10.911
  260   1HZ   LYS  36          HZ1       LYS  36  -8.603  -4.643  12.120
  261   2HZ   LYS  36          HZ2       LYS  36  -9.942  -4.896  13.123
  262   3HZ   LYS  36          HZ3       LYS  36  -9.489  -3.322  12.701
  263    H    ILE  37           HN       ILE  37  -6.967  -5.810   6.110
  264    HA   ILE  37           HA       ILE  37  -7.413  -8.132   7.669
  265    HB   ILE  37           HB       ILE  37  -6.734  -8.151   4.737
  266   1HG1  ILE  37          HG12      ILE  37  -9.456  -7.641   5.956
  267   2HG1  ILE  37          HG11      ILE  37  -8.446  -6.399   5.222
  268   1HG2  ILE  37          HG21      ILE  37  -7.432 -10.273   4.762
  269   2HG2  ILE  37          HG22      ILE  37  -8.884  -9.861   5.674
  270   3HG2  ILE  37          HG23      ILE  37  -7.369 -10.171   6.522
  271   1HD1  ILE  37          HD11      ILE  37  -9.669  -6.856   3.401
  272   2HD1  ILE  37          HD12      ILE  37 -10.113  -8.464   3.973
  273   3HD1  ILE  37          HD13      ILE  37  -8.540  -8.200   3.218
  274    H    LEU  38           HN       LEU  38  -5.305  -8.719   5.009
  275    HA   LEU  38           HA       LEU  38  -3.470 -10.147   6.677
  276   1HB   LEU  38          HB2       LEU  38  -4.149 -10.782   4.332
  277   2HB   LEU  38          HB1       LEU  38  -3.142  -9.470   3.760
  278    HG   LEU  38           HG       LEU  38  -1.182 -10.529   4.809
  279   1HD1  LEU  38          HD11      LEU  38  -1.388 -12.150   6.305
  280   2HD1  LEU  38          HD12      LEU  38  -2.202 -13.174   5.122
  281   3HD1  LEU  38          HD13      LEU  38  -3.141 -12.071   6.129
  282   1HD2  LEU  38          HD21      LEU  38  -2.350 -11.140   2.436
  283   2HD2  LEU  38          HD22      LEU  38  -2.204 -12.738   3.168
  284   3HD2  LEU  38          HD23      LEU  38  -0.771 -11.731   2.956
  285    H    ARG  39           HN       ARG  39  -3.785  -7.004   6.291
  286    HA   ARG  39           HA       ARG  39  -2.508  -5.168   6.636
  287   1HB   ARG  39          HB2       ARG  39  -1.674  -6.752   8.487
  288   2HB   ARG  39          HB1       ARG  39  -0.270  -7.009   7.464
  289   1HG   ARG  39          HG2       ARG  39   0.171  -5.344   9.173
  290   2HG   ARG  39          HG1       ARG  39   0.246  -4.630   7.560
  291   1HD   ARG  39          HD2       ARG  39  -1.983  -3.727   7.826
  292   2HD   ARG  39          HD1       ARG  39  -2.138  -4.509   9.398
  293    HE   ARG  39           HE       ARG  39   0.093  -2.939   9.616
  294   1HH1  ARG  39          HH11      ARG  39  -3.227  -2.371   8.693
  295   2HH1  ARG  39          HH12      ARG  39  -3.298  -0.790   9.405
  296   1HH2  ARG  39          HH21      ARG  39   0.021  -0.849  10.565
  297   2HH2  ARG  39          HH22      ARG  39  -1.440   0.078  10.480
  298    H    ARG  40           HN       ARG  40  -2.539  -6.468   4.069
  299    HA   ARG  40           HA       ARG  40   0.047  -6.461   2.893
  300   1HB   ARG  40          HB2       ARG  40  -2.706  -6.240   1.687
  301   2HB   ARG  40          HB1       ARG  40  -1.237  -6.320   0.729
  302   1HG   ARG  40          HG2       ARG  40  -0.744  -8.518   1.784
  303   2HG   ARG  40          HG1       ARG  40  -2.328  -8.437   2.565
  304   1HD   ARG  40          HD2       ARG  40  -3.402  -8.267   0.390
  305   2HD   ARG  40          HD1       ARG  40  -1.831  -8.307  -0.402
  306    HE   ARG  40           HE       ARG  40  -2.191 -10.606   1.200
  307   1HH1  ARG  40          HH11      ARG  40  -3.165  -9.104  -1.802
  308   2HH1  ARG  40          HH12      ARG  40  -3.544 -10.613  -2.583
  309   1HH2  ARG  40          HH21      ARG  40  -2.674 -12.612   0.176
  310   2HH2  ARG  40          HH22      ARG  40  -3.262 -12.615  -1.452
  311    H    CYS  41           HN       CYS  41   0.857  -4.955   1.322
  312    HA   CYS  41           HA       CYS  41   0.467  -2.219   2.151
  313   1HB   CYS  41          HB2       CYS  41   2.725  -3.004   1.765
  314   2HB   CYS  41          HB1       CYS  41   2.318  -3.476   0.120
  315    H    LEU  42           HN       LEU  42  -1.481  -1.469   1.411
  316    HA   LEU  42           HA       LEU  42  -2.214  -1.814  -1.386
  317   1HB   LEU  42          HB2       LEU  42  -3.542  -0.710   1.053
  318   2HB   LEU  42          HB1       LEU  42  -4.117  -0.170  -0.514
  319    HG   LEU  42           HG       LEU  42  -4.587  -2.531  -1.121
  320   1HD1  LEU  42          HD11      LEU  42  -4.522  -3.603   1.553
  321   2HD1  LEU  42          HD12      LEU  42  -2.911  -3.120   1.021
  322   3HD1  LEU  42          HD13      LEU  42  -3.854  -4.260   0.059
  323   1HD2  LEU  42          HD21      LEU  42  -6.020  -2.325   1.423
  324   2HD2  LEU  42          HD22      LEU  42  -6.636  -2.393  -0.228
  325   3HD2  LEU  42          HD23      LEU  42  -6.066  -0.863   0.438
  326    H    CYS  43           HN       CYS  43  -1.425  -0.470  -2.876
  327    HA   CYS  43           HA       CYS  43  -0.408   2.128  -2.039
  328   1HB   CYS  43          HB2       CYS  43  -0.192   0.737  -4.712
  329   2HB   CYS  43          HB1       CYS  43   0.647   2.205  -4.236
  330    H    THR  44           HN       THR  44  -1.239   4.029  -2.644
  331    HA   THR  44           HA       THR  44  -3.617   3.998  -4.386
  332    HB   THR  44           HB       THR  44  -3.937   6.287  -2.971
  333    HG1  THR  44           HG1      THR  44  -2.065   5.437  -1.630
  334   1HG2  THR  44          HG21      THR  44  -5.883   5.262  -2.654
  335   2HG2  THR  44          HG22      THR  44  -5.148   4.250  -1.411
  336   3HG2  THR  44          HG23      THR  44  -5.153   3.718  -3.092
  337    H    LYS  45           HN       LYS  45  -3.758   5.586  -5.957
  338    HA   LYS  45           HA       LYS  45  -1.900   7.779  -6.050
  339   1HB   LYS  45          HB2       LYS  45  -0.720   7.197  -8.039
  340   2HB   LYS  45          HB1       LYS  45  -0.508   5.896  -6.879
  341   1HG   LYS  45          HG2       LYS  45  -2.076   4.512  -8.057
  342   2HG   LYS  45          HG1       LYS  45  -2.487   5.842  -9.148
  343   1HD   LYS  45          HD2       LYS  45  -0.290   5.847 -10.080
  344   2HD   LYS  45          HD1       LYS  45   0.289   4.712  -8.863
  345   1HE   LYS  45          HE2       LYS  45  -1.345   3.047  -9.793
  346   2HE   LYS  45          HE1       LYS  45  -1.634   4.180 -11.115
  347   1HZ   LYS  45          HZ1       LYS  45   0.349   2.288 -10.989
  348   2HZ   LYS  45          HZ2       LYS  45   1.152   3.748 -10.691
  349   3HZ   LYS  45          HZ3       LYS  45   0.240   3.556 -12.104
  350    H    GLU  46           HN       GLU  46  -2.009   8.827  -8.281
  351    HA   GLU  46           HA       GLU  46  -4.773   9.437  -8.743
  352   1HB   GLU  46          HB2       GLU  46  -3.946  11.232 -10.109
  353   2HB   GLU  46          HB1       GLU  46  -2.965  11.154  -8.655
  354   1HG   GLU  46          HG2       GLU  46  -2.083   9.806 -11.171
  355   2HG   GLU  46          HG1       GLU  46  -1.824  11.529 -10.936
  356    H    CYS  47           HN       CYS  47  -5.926   9.172 -10.636
  357    HA   CYS  47           HA       CYS  47  -4.822   8.043 -12.995
  358   1HB   CYS  47          HB2       CYS  47  -6.086   5.914 -12.959
  359   2HB   CYS  47          HB1       CYS  47  -4.838   5.978 -11.722
  Start of MODEL   12
    1   1H    ALA   1          HT1       ALA   1 -12.880  11.709  -6.806
    2   2H    ALA   1          HT2       ALA   1 -12.188  10.533  -5.807
    3   3H    ALA   1          HT3       ALA   1 -12.571  10.162  -7.414
    4    HA   ALA   1           HA       ALA   1 -10.718  11.007  -8.215
    5   1HB   ALA   1          HB1       ALA   1  -9.819  13.154  -6.781
    6   2HB   ALA   1          HB2       ALA   1 -11.564  13.260  -6.552
    7   3HB   ALA   1          HB3       ALA   1 -10.889  13.242  -8.181
    8    H    THR   2           HN       THR   2 -10.724   8.946  -6.367
    9    HA   THR   2           HA       THR   2  -8.034   9.142  -5.320
   10    HB   THR   2           HB       THR   2 -10.278   8.317  -3.464
   11    HG1  THR   2           HG1      THR   2  -8.995  10.809  -3.864
   12   1HG2  THR   2          HG21      THR   2  -8.644   8.183  -1.777
   13   2HG2  THR   2          HG22      THR   2  -7.458   9.069  -2.736
   14   3HG2  THR   2          HG23      THR   2  -7.892   7.418  -3.178
   15    H    CYS   3           HN       CYS   3  -7.044   7.318  -5.887
   16    HA   CYS   3           HA       CYS   3  -8.698   4.924  -6.320
   17   1HB   CYS   3          HB2       CYS   3  -6.216   5.923  -7.703
   18   2HB   CYS   3          HB1       CYS   3  -6.724   4.239  -7.823
   19    H    LYS   4           HN       LYS   4  -8.173   3.030  -5.395
   20    HA   LYS   4           HA       LYS   4  -5.767   2.951  -3.690
   21   1HB   LYS   4          HB2       LYS   4  -8.482   1.755  -3.076
   22   2HB   LYS   4          HB1       LYS   4  -7.041   1.585  -2.085
   23   1HG   LYS   4          HG2       LYS   4  -7.039   4.066  -1.809
   24   2HG   LYS   4          HG1       LYS   4  -8.604   4.094  -2.624
   25   1HD   LYS   4          HD2       LYS   4  -7.991   2.531  -0.117
   26   2HD   LYS   4          HD1       LYS   4  -8.780   4.110  -0.150
   27   1HE   LYS   4          HE2       LYS   4 -10.584   3.149  -1.538
   28   2HE   LYS   4          HE1       LYS   4  -9.808   1.571  -1.420
   29   1HZ   LYS   4          HZ1       LYS   4 -10.734   1.234   0.552
   30   2HZ   LYS   4          HZ2       LYS   4 -11.662   2.627   0.309
   31   3HZ   LYS   4          HZ3       LYS   4 -10.199   2.723   1.151
   32    H    ALA   5           HN       ALA   5  -4.541   1.185  -3.860
   33    HA   ALA   5           HA       ALA   5  -5.523  -1.321  -4.856
   34   1HB   ALA   5          HB1       ALA   5  -3.444  -0.942  -6.651
   35   2HB   ALA   5          HB2       ALA   5  -4.340   0.576  -6.709
   36   3HB   ALA   5          HB3       ALA   5  -5.166  -0.949  -7.031
   37    H    GLU   6           HN       GLU   6  -4.194  -2.970  -4.221
   38    HA   GLU   6           HA       GLU   6  -2.227  -2.454  -2.273
   39   1HB   GLU   6          HB2       GLU   6  -2.390  -5.047  -3.786
   40   2HB   GLU   6          HB1       GLU   6  -2.014  -4.778  -2.092
   41   1HG   GLU   6          HG2       GLU   6  -4.236  -4.429  -1.514
   42   2HG   GLU   6          HG1       GLU   6  -4.720  -4.124  -3.180
   43    H    CYS   7           HN       CYS   7  -0.002  -2.492  -2.398
   44    HA   CYS   7           HA       CYS   7   1.192  -1.588  -4.753
   45   1HB   CYS   7          HB2       CYS   7   2.209  -1.295  -2.504
   46   2HB   CYS   7          HB1       CYS   7   2.604  -3.012  -2.483
   47    HA   PRO   8           HA       PRO   8   1.281  -5.214  -7.304
   48   1HB   PRO   8          HB2       PRO   8   3.616  -3.791  -8.488
   49   2HB   PRO   8          HB1       PRO   8   2.188  -4.466  -9.281
   50   1HG   PRO   8          HG2       PRO   8   2.427  -1.840  -8.933
   51   2HG   PRO   8          HG1       PRO   8   0.860  -2.644  -8.731
   52   1HD   PRO   8          HD2       PRO   8   2.751  -1.627  -6.657
   53   2HD   PRO   8          HD1       PRO   8   0.976  -1.628  -6.664
   54    H    THR   9           HN       THR   9   4.297  -3.882  -5.992
   55    HA   THR   9           HA       THR   9   5.481  -6.553  -6.064
   56    HB   THR   9           HB       THR   9   7.580  -5.342  -5.332
   57    HG1  THR   9           HG1      THR   9   6.196  -3.413  -4.675
   58   1HG2  THR   9          HG21      THR   9   6.413  -4.355  -7.932
   59   2HG2  THR   9          HG22      THR   9   7.033  -5.988  -7.692
   60   3HG2  THR   9          HG23      THR   9   8.115  -4.603  -7.543
   61    H    TRP  10           HN       TRP  10   3.430  -6.369  -4.261
   62    HA   TRP  10           HA       TRP  10   4.892  -6.505  -1.715
   63   1HB   TRP  10          HB2       TRP  10   3.450  -4.407  -1.939
   64   2HB   TRP  10          HB1       TRP  10   2.057  -5.483  -1.921
   65    HD1  TRP  10           HD1      TRP  10   1.337  -6.521   0.404
   66    HE1  TRP  10           HE1      TRP  10   2.080  -6.075   2.834
   67    HE3  TRP  10           HE3      TRP  10   5.507  -3.711  -0.522
   68    HZ2  TRP  10           HZ2      TRP  10   4.156  -4.674   4.175
   69    HZ3  TRP  10           HZ3      TRP  10   6.795  -2.841   1.382
   70    HH2  TRP  10           HH2      TRP  10   6.133  -3.319   3.679
   71    H    ASP  11           HN       ASP  11   4.718  -8.441  -0.848
   72    HA   ASP  11           HA       ASP  11   2.229  -9.936  -0.998
   73   1HB   ASP  11          HB2       ASP  11   3.814 -10.572  -2.971
   74   2HB   ASP  11          HB1       ASP  11   4.776 -11.370  -1.732
   75    H    SER  12           HN       SER  12   2.835  -8.809   1.181
   76    HA   SER  12           HA       SER  12   3.593 -10.898   3.000
   77   1HB   SER  12          HB2       SER  12   5.283  -8.384   2.830
   78   2HB   SER  12          HB1       SER  12   5.387  -9.588   4.113
   79    HG   SER  12           HG       SER  12   5.576 -10.773   1.695
   80    H    VAL  13           HN       VAL  13   3.479 -10.038   5.304
   81    HA   VAL  13           HA       VAL  13   1.033  -8.540   5.579
   82    HB   VAL  13           HB       VAL  13   2.926  -9.634   7.684
   83   1HG1  VAL  13          HG11      VAL  13   0.054  -8.939   8.155
   84   2HG1  VAL  13          HG12      VAL  13   1.315  -7.715   8.301
   85   3HG1  VAL  13          HG13      VAL  13   1.358  -9.151   9.324
   86   1HG2  VAL  13          HG21      VAL  13   1.606 -11.174   6.003
   87   2HG2  VAL  13          HG22      VAL  13   0.266 -10.829   7.097
   88   3HG2  VAL  13          HG23      VAL  13   1.734 -11.586   7.713
   89    H    CYS  14           HN       CYS  14   0.886  -6.421   5.897
   90    HA   CYS  14           HA       CYS  14   3.206  -4.754   5.918
   91   1HB   CYS  14          HB2       CYS  14   0.805  -4.337   4.952
   92   2HB   CYS  14          HB1       CYS  14   0.442  -3.781   6.580
   93    H    ILE  15           HN       ILE  15   4.389  -4.335   7.677
   94    HA   ILE  15           HA       ILE  15   3.148  -4.620  10.313
   95    HB   ILE  15           HB       ILE  15   6.075  -4.317   9.610
   96   1HG1  ILE  15          HG12      ILE  15   4.526  -6.799  10.392
   97   2HG1  ILE  15          HG11      ILE  15   5.055  -6.418   8.757
   98   1HG2  ILE  15          HG21      ILE  15   5.000  -5.357  12.204
   99   2HG2  ILE  15          HG22      ILE  15   5.184  -3.624  11.936
  100   3HG2  ILE  15          HG23      ILE  15   6.590  -4.685  11.845
  101   1HD1  ILE  15          HD11      ILE  15   6.867  -6.868  11.117
  102   2HD1  ILE  15          HD12      ILE  15   7.373  -6.549   9.458
  103   3HD1  ILE  15          HD13      ILE  15   6.515  -8.040   9.848
  104    H    ASN  16           HN       ASN  16   5.305  -2.390   8.584
  105    HA   ASN  16           HA       ASN  16   4.288  -0.218  10.287
  106   1HB   ASN  16          HB2       ASN  16   6.727  -0.816  10.579
  107   2HB   ASN  16          HB1       ASN  16   6.985  -0.305   8.916
  108   1HD2  ASN  16          HD21      ASN  16   6.998   0.645  12.100
  109   2HD2  ASN  16          HD22      ASN  16   7.005   2.358  11.872
  110    H    LYS  17           HN       LYS  17   3.965   1.816   9.278
  111    HA   LYS  17           HA       LYS  17   2.748   1.679   6.746
  112   1HB   LYS  17          HB2       LYS  17   1.996   3.269   8.395
  113   2HB   LYS  17          HB1       LYS  17   3.573   4.041   8.437
  114   1HG   LYS  17          HG2       LYS  17   3.269   4.806   6.140
  115   2HG   LYS  17          HG1       LYS  17   1.691   4.018   6.085
  116   1HD   LYS  17          HD2       LYS  17   0.805   5.488   7.729
  117   2HD   LYS  17          HD1       LYS  17   2.404   6.126   8.114
  118   1HE   LYS  17          HE2       LYS  17   1.130   7.706   6.762
  119   2HE   LYS  17          HE1       LYS  17   2.548   7.126   5.892
  120   1HZ   LYS  17          HZ1       LYS  17  -0.290   6.488   5.421
  121   2HZ   LYS  17          HZ2       LYS  17   0.918   5.436   4.884
  122   3HZ   LYS  17          HZ3       LYS  17   0.873   7.033   4.320
  123    H    LYS  18           HN       LYS  18   5.950   2.786   7.762
  124    HA   LYS  18           HA       LYS  18   6.766   4.168   5.524
  125   1HB   LYS  18          HB2       LYS  18   8.424   2.363   7.284
  126   2HB   LYS  18          HB1       LYS  18   9.090   3.496   6.116
  127   1HG   LYS  18          HG2       LYS  18   8.047   5.350   7.329
  128   2HG   LYS  18          HG1       LYS  18   7.401   4.207   8.507
  129   1HD   LYS  18          HD2       LYS  18   9.408   5.234   9.385
  130   2HD   LYS  18          HD1       LYS  18   9.709   3.525   9.064
  131   1HE   LYS  18          HE2       LYS  18  10.793   4.115   6.951
  132   2HE   LYS  18          HE1       LYS  18  10.487   5.822   7.268
  133   1HZ   LYS  18          HZ1       LYS  18  12.686   4.346   8.047
  134   2HZ   LYS  18          HZ2       LYS  18  11.813   4.630   9.467
  135   3HZ   LYS  18          HZ3       LYS  18  12.305   5.930   8.504
  136    HA   PRO  19           HA       PRO  19   8.495  -0.028   3.502
  137   1HB   PRO  19          HB2       PRO  19   6.370  -1.763   4.696
  138   2HB   PRO  19          HB1       PRO  19   8.021  -2.184   4.233
  139   1HG   PRO  19          HG2       PRO  19   7.427  -1.835   6.781
  140   2HG   PRO  19          HG1       PRO  19   8.939  -1.172   6.129
  141   1HD   PRO  19          HD2       PRO  19   6.389   0.233   6.806
  142   2HD   PRO  19          HD1       PRO  19   8.066   0.774   7.019
  143    H    CYS  20           HN       CYS  20   5.053   0.199   4.322
  144    HA   CYS  20           HA       CYS  20   4.064  -0.603   1.809
  145   1HB   CYS  20          HB2       CYS  20   2.736  -0.612   3.903
  146   2HB   CYS  20          HB1       CYS  20   2.744   1.146   3.901
  147    H    VAL  21           HN       VAL  21   4.468   2.640   3.243
  148    HA   VAL  21           HA       VAL  21   3.567   4.135   1.064
  149    HB   VAL  21           HB       VAL  21   5.667   4.864   3.118
  150   1HG1  VAL  21          HG11      VAL  21   4.294   7.140   2.156
  151   2HG1  VAL  21          HG12      VAL  21   4.876   6.244   0.754
  152   3HG1  VAL  21          HG13      VAL  21   6.008   6.755   2.007
  153   1HG2  VAL  21          HG21      VAL  21   2.688   5.101   3.004
  154   2HG2  VAL  21          HG22      VAL  21   3.642   6.233   3.963
  155   3HG2  VAL  21          HG23      VAL  21   3.713   4.505   4.309
  156    H    ALA  22           HN       ALA  22   6.804   2.887   1.791
  157    HA   ALA  22           HA       ALA  22   8.165   4.130  -0.334
  158   1HB   ALA  22          HB1       ALA  22   9.527   3.191   1.317
  159   2HB   ALA  22          HB2       ALA  22   9.744   2.119  -0.066
  160   3HB   ALA  22          HB3       ALA  22   8.686   1.642   1.262
  161    H    CYS  23           HN       CYS  23   6.578   0.972  -0.090
  162    HA   CYS  23           HA       CYS  23   7.141   0.032  -2.678
  163   1HB   CYS  23          HB2       CYS  23   6.106  -1.176  -0.614
  164   2HB   CYS  23          HB1       CYS  23   4.573  -0.582  -1.232
  165    H    CYS  24           HN       CYS  24   4.492   1.923  -1.369
  166    HA   CYS  24           HA       CYS  24   2.932   2.026  -3.707
  167   1HB   CYS  24          HB2       CYS  24   3.066   3.877  -1.325
  168   2HB   CYS  24          HB1       CYS  24   1.822   3.950  -2.572
  169    H    LYS  25           HN       LYS  25   5.331   4.333  -2.413
  170    HA   LYS  25           HA       LYS  25   4.944   6.245  -4.432
  171   1HB   LYS  25          HB2       LYS  25   7.301   5.723  -2.634
  172   2HB   LYS  25          HB1       LYS  25   7.224   7.085  -3.749
  173   1HG   LYS  25          HG2       LYS  25   5.105   7.783  -2.644
  174   2HG   LYS  25          HG1       LYS  25   5.367   6.511  -1.453
  175   1HD   LYS  25          HD2       LYS  25   7.479   7.554  -0.803
  176   2HD   LYS  25          HD1       LYS  25   7.223   8.824  -2.004
  177   1HE   LYS  25          HE2       LYS  25   5.411   8.226   0.332
  178   2HE   LYS  25          HE1       LYS  25   6.584   9.542   0.263
  179   1HZ   LYS  25          HZ1       LYS  25   3.966   9.319  -0.977
  180   2HZ   LYS  25          HZ2       LYS  25   5.174   9.987  -1.959
  181   3HZ   LYS  25          HZ3       LYS  25   4.815  10.693  -0.466
  182    H    LYS  26           HN       LYS  26   7.162   3.467  -4.300
  183    HA   LYS  26           HA       LYS  26   8.465   4.150  -6.743
  184   1HB   LYS  26          HB2       LYS  26   9.149   1.708  -6.776
  185   2HB   LYS  26          HB1       LYS  26   9.648   2.625  -5.362
  186   1HG   LYS  26          HG2       LYS  26   8.099   1.577  -3.985
  187   2HG   LYS  26          HG1       LYS  26   7.134   1.009  -5.347
  188   1HD   LYS  26          HD2       LYS  26   9.938   0.062  -4.800
  189   2HD   LYS  26          HD1       LYS  26   8.501  -0.744  -4.165
  190   1HE   LYS  26          HE2       LYS  26   7.697  -0.833  -6.585
  191   2HE   LYS  26          HE1       LYS  26   9.350  -0.407  -7.027
  192   1HZ   LYS  26          HZ1       LYS  26   9.838  -2.415  -5.399
  193   2HZ   LYS  26          HZ2       LYS  26   9.538  -2.647  -7.046
  194   3HZ   LYS  26          HZ3       LYS  26   8.296  -2.891  -5.918
  195    H    ALA  27           HN       ALA  27   5.552   2.413  -5.905
  196    HA   ALA  27           HA       ALA  27   5.086   1.421  -8.578
  197   1HB   ALA  27          HB1       ALA  27   4.134   0.783  -6.036
  198   2HB   ALA  27          HB2       ALA  27   3.639   0.067  -7.570
  199   3HB   ALA  27          HB3       ALA  27   2.741   1.430  -6.902
  200    H    LYS  28           HN       LYS  28   5.105   4.392  -7.465
  201    HA   LYS  28           HA       LYS  28   4.359   6.378  -8.214
  202   1HB   LYS  28          HB2       LYS  28   4.256   4.959 -10.434
  203   2HB   LYS  28          HB1       LYS  28   2.522   5.160 -10.222
  204   1HG   LYS  28          HG2       LYS  28   3.491   6.872 -11.686
  205   2HG   LYS  28          HG1       LYS  28   2.765   7.569 -10.235
  206   1HD   LYS  28          HD2       LYS  28   4.939   8.596 -10.766
  207   2HD   LYS  28          HD1       LYS  28   4.957   7.774  -9.205
  208   1HE   LYS  28          HE2       LYS  28   5.946   5.783 -10.393
  209   2HE   LYS  28          HE1       LYS  28   6.130   6.816 -11.810
  210   1HZ   LYS  28          HZ1       LYS  28   7.725   6.676  -9.443
  211   2HZ   LYS  28          HZ2       LYS  28   7.235   8.260  -9.777
  212   3HZ   LYS  28          HZ3       LYS  28   8.083   7.375 -10.942
  213    H    PHE  29           HN       PHE  29   3.268   5.775  -5.990
  214    HA   PHE  29           HA       PHE  29   0.455   6.583  -6.249
  215   1HB   PHE  29          HB2       PHE  29   1.575   4.474  -4.398
  216   2HB   PHE  29          HB1       PHE  29   0.055   5.296  -4.067
  217    HD1  PHE  29           HD1      PHE  29   1.783   3.192  -6.597
  218    HD2  PHE  29           HD2      PHE  29  -1.929   4.538  -5.011
  219    HE1  PHE  29           HE1      PHE  29   0.595   1.554  -7.995
  220    HE2  PHE  29           HE2      PHE  29  -3.123   2.902  -6.406
  221    HZ   PHE  29           HZ       PHE  29  -1.861   1.406  -7.900
  222    H    SER  30           HN       SER  30  -0.254   8.022  -4.634
  223    HA   SER  30           HA       SER  30   1.669   9.843  -3.737
  224   1HB   SER  30          HB2       SER  30  -1.144   9.578  -2.677
  225   2HB   SER  30          HB1       SER  30  -0.155  11.037  -2.754
  226    HG   SER  30           HG       SER  30  -0.731  11.307  -4.764
  227    H    ASP  31           HN       ASP  31  -0.220   7.439  -1.904
  228    HA   ASP  31           HA       ASP  31   1.899   7.151   0.025
  229   1HB   ASP  31          HB2       ASP  31   0.962   9.153   0.960
  230   2HB   ASP  31          HB1       ASP  31  -0.676   8.530   0.805
  231    H    GLY  32           HN       GLY  32   1.648   5.321   1.343
  232   1HA   GLY  32          HA2       GLY  32  -0.615   3.592   0.567
  233   2HA   GLY  32          HA1       GLY  32   1.002   2.995   0.915
  234    H    HIS  33           HN       HIS  33  -1.478   2.168   2.077
  235    HA   HIS  33           HA       HIS  33  -0.820   2.655   4.891
  236   1HB   HIS  33          HB2       HIS  33  -3.263   2.790   5.424
  237   2HB   HIS  33          HB1       HIS  33  -2.661   4.158   4.499
  238    HD1  HIS  33           HD1      HIS  33  -3.283   4.112   1.859
  239    HD2  HIS  33           HD2      HIS  33  -5.359   1.446   4.282
  240    HE1  HIS  33           HE1      HIS  33  -5.231   3.323   0.487
  241    H    CYS  34           HN       CYS  34  -0.915   0.868   6.124
  242    HA   CYS  34           HA       CYS  34  -1.291  -1.672   4.866
  243   1HB   CYS  34          HB2       CYS  34  -1.084  -1.139   7.835
  244   2HB   CYS  34          HB1       CYS  34  -0.697  -2.629   6.986
  245    H    SER  35           HN       SER  35  -3.157  -2.809   4.707
  246    HA   SER  35           HA       SER  35  -5.581  -1.700   5.709
  247   1HB   SER  35          HB2       SER  35  -6.593  -3.866   4.837
  248   2HB   SER  35          HB1       SER  35  -5.749  -2.875   3.649
  249    HG   SER  35           HG       SER  35  -4.016  -4.256   3.733
  250    H    LYS  36           HN       LYS  36  -7.100  -2.842   7.142
  251    HA   LYS  36           HA       LYS  36  -5.667  -3.874   9.440
  252   1HB   LYS  36          HB2       LYS  36  -7.336  -2.141   9.797
  253   2HB   LYS  36          HB1       LYS  36  -8.577  -3.150   9.069
  254   1HG   LYS  36          HG2       LYS  36  -8.374  -4.751  10.879
  255   2HG   LYS  36          HG1       LYS  36  -7.080  -3.794  11.601
  256   1HD   LYS  36          HD2       LYS  36  -9.122  -3.323  12.774
  257   2HD   LYS  36          HD1       LYS  36  -8.685  -1.903  11.823
  258   1HE   LYS  36          HE2       LYS  36 -10.293  -2.533  10.111
  259   2HE   LYS  36          HE1       LYS  36 -10.699  -3.996  11.007
  260   1HZ   LYS  36          HZ1       LYS  36 -11.119  -1.216  11.968
  261   2HZ   LYS  36          HZ2       LYS  36 -11.525  -2.625  12.811
  262   3HZ   LYS  36          HZ3       LYS  36 -12.325  -2.243  11.370
  263    H    ILE  37           HN       ILE  37  -8.024  -5.028   7.095
  264    HA   ILE  37           HA       ILE  37  -8.713  -7.400   8.447
  265    HB   ILE  37           HB       ILE  37  -8.830  -6.858   5.483
  266   1HG1  ILE  37          HG12      ILE  37 -10.947  -6.479   7.613
  267   2HG1  ILE  37          HG11      ILE  37 -10.023  -5.177   6.871
  268   1HG2  ILE  37          HG21      ILE  37  -9.414  -9.016   5.374
  269   2HG2  ILE  37          HG22      ILE  37 -10.921  -8.522   6.147
  270   3HG2  ILE  37          HG23      ILE  37  -9.590  -9.142   7.125
  271   1HD1  ILE  37          HD11      ILE  37 -11.903  -7.036   5.431
  272   2HD1  ILE  37          HD12      ILE  37 -11.001  -5.704   4.708
  273   3HD1  ILE  37          HD13      ILE  37 -12.250  -5.374   5.908
  274    H    LEU  38           HN       LEU  38  -6.958  -7.406   5.333
  275    HA   LEU  38           HA       LEU  38  -5.679  -9.884   6.127
  276   1HB   LEU  38          HB2       LEU  38  -6.660  -9.488   3.838
  277   2HB   LEU  38          HB1       LEU  38  -5.329  -8.390   3.535
  278    HG   LEU  38           HG       LEU  38  -3.729 -10.217   3.827
  279   1HD1  LEU  38          HD11      LEU  38  -4.831 -12.574   3.776
  280   2HD1  LEU  38          HD12      LEU  38  -6.202 -11.745   4.512
  281   3HD1  LEU  38          HD13      LEU  38  -4.631 -11.733   5.312
  282   1HD2  LEU  38          HD21      LEU  38  -4.051 -11.207   1.746
  283   2HD2  LEU  38          HD22      LEU  38  -4.942  -9.690   1.618
  284   3HD2  LEU  38          HD23      LEU  38  -5.808 -11.199   1.906
  285    H    ARG  39           HN       ARG  39  -5.015  -6.664   6.376
  286    HA   ARG  39           HA       ARG  39  -3.233  -5.440   7.011
  287   1HB   ARG  39          HB2       ARG  39  -3.020  -7.439   8.583
  288   2HB   ARG  39          HB1       ARG  39  -1.760  -8.022   7.505
  289   1HG   ARG  39          HG2       ARG  39  -0.778  -6.874   9.376
  290   2HG   ARG  39          HG1       ARG  39  -0.493  -5.956   7.897
  291   1HD   ARG  39          HD2       ARG  39  -2.442  -4.526   8.484
  292   2HD   ARG  39          HD1       ARG  39  -2.555  -5.386  10.020
  293    HE   ARG  39           HE       ARG  39   0.067  -4.436   9.719
  294   1HH1  ARG  39          HH11      ARG  39  -3.163  -3.180  10.174
  295   2HH1  ARG  39          HH12      ARG  39  -2.641  -1.772  11.037
  296   1HH2  ARG  39          HH21      ARG  39   0.778  -2.580  10.852
  297   2HH2  ARG  39          HH22      ARG  39  -0.383  -1.430  11.426
  298    H    ARG  40           HN       ARG  40  -3.538  -6.189   4.250
  299    HA   ARG  40           HA       ARG  40  -0.796  -6.435   3.258
  300   1HB   ARG  40          HB2       ARG  40  -2.210  -6.138   1.004
  301   2HB   ARG  40          HB1       ARG  40  -2.016  -7.689   1.808
  302   1HG   ARG  40          HG2       ARG  40  -4.164  -7.482   2.848
  303   2HG   ARG  40          HG1       ARG  40  -4.357  -5.845   2.214
  304   1HD   ARG  40          HD2       ARG  40  -4.380  -6.686  -0.052
  305   2HD   ARG  40          HD1       ARG  40  -4.055  -8.320   0.520
  306    HE   ARG  40           HE       ARG  40  -6.393  -7.495   1.752
  307   1HH1  ARG  40          HH11      ARG  40  -5.253  -7.957  -1.519
  308   2HH1  ARG  40          HH12      ARG  40  -6.802  -8.465  -2.123
  309   1HH2  ARG  40          HH21      ARG  40  -8.450  -8.180   0.958
  310   2HH2  ARG  40          HH22      ARG  40  -8.616  -8.598  -0.713
  311    H    CYS  41           HN       CYS  41   0.075  -4.855   1.770
  312    HA   CYS  41           HA       CYS  41  -0.390  -2.188   2.680
  313   1HB   CYS  41          HB2       CYS  41   1.858  -2.840   2.183
  314   2HB   CYS  41          HB1       CYS  41   1.417  -3.329   0.552
  315    H    LEU  42           HN       LEU  42  -2.146  -1.123   2.054
  316    HA   LEU  42           HA       LEU  42  -3.037  -1.312  -0.734
  317   1HB   LEU  42          HB2       LEU  42  -4.326  -0.547   1.836
  318   2HB   LEU  42          HB1       LEU  42  -4.885   0.287   0.401
  319    HG   LEU  42           HG       LEU  42  -5.445  -1.897  -0.623
  320   1HD1  LEU  42          HD11      LEU  42  -3.717  -3.031   1.062
  321   2HD1  LEU  42          HD12      LEU  42  -5.055  -3.912   0.324
  322   3HD1  LEU  42          HD13      LEU  42  -5.206  -3.295   1.969
  323   1HD2  LEU  42          HD21      LEU  42  -6.997  -0.500   0.878
  324   2HD2  LEU  42          HD22      LEU  42  -6.746  -1.774   2.071
  325   3HD2  LEU  42          HD23      LEU  42  -7.460  -2.160   0.505
  326    H    CYS  43           HN       CYS  43  -2.440   0.217  -2.115
  327    HA   CYS  43           HA       CYS  43  -1.208   2.635  -1.066
  328   1HB   CYS  43          HB2       CYS  43  -1.317   1.508  -3.866
  329   2HB   CYS  43          HB1       CYS  43  -0.442   2.960  -3.394
  330    H    THR  44           HN       THR  44  -1.872   4.674  -1.504
  331    HA   THR  44           HA       THR  44  -4.477   4.973  -2.845
  332    HB   THR  44           HB       THR  44  -4.214   7.102  -1.066
  333    HG1  THR  44           HG1      THR  44  -2.623   5.874   0.078
  334   1HG2  THR  44          HG21      THR  44  -6.240   5.737  -1.792
  335   2HG2  THR  44          HG22      THR  44  -6.214   6.315  -0.126
  336   3HG2  THR  44          HG23      THR  44  -5.819   4.633  -0.482
  337    H    LYS  45           HN       LYS  45  -4.710   6.720  -4.164
  338    HA   LYS  45           HA       LYS  45  -2.875   8.895  -4.175
  339   1HB   LYS  45          HB2       LYS  45  -1.854   8.606  -6.324
  340   2HB   LYS  45          HB1       LYS  45  -1.496   7.203  -5.335
  341   1HG   LYS  45          HG2       LYS  45  -3.123   5.888  -6.538
  342   2HG   LYS  45          HG1       LYS  45  -3.613   7.307  -7.474
  343   1HD   LYS  45          HD2       LYS  45  -1.422   7.473  -8.460
  344   2HD   LYS  45          HD1       LYS  45  -0.819   6.175  -7.433
  345   1HE   LYS  45          HE2       LYS  45  -2.465   4.652  -8.530
  346   2HE   LYS  45          HE1       LYS  45  -2.850   5.964  -9.647
  347   1HZ   LYS  45          HZ1       LYS  45  -0.882   4.120  -9.987
  348   2HZ   LYS  45          HZ2       LYS  45  -0.030   5.471  -9.424
  349   3HZ   LYS  45          HZ3       LYS  45  -0.999   5.595 -10.808
  350    H    GLU  46           HN       GLU  46  -3.268  10.331  -6.109
  351    HA   GLU  46           HA       GLU  46  -6.094  10.766  -6.291
  352   1HB   GLU  46          HB2       GLU  46  -5.319  12.750  -7.695
  353   2HB   GLU  46          HB1       GLU  46  -4.793  12.710  -6.017
  354   1HG   GLU  46          HG2       GLU  46  -2.651  11.649  -6.868
  355   2HG   GLU  46          HG1       GLU  46  -3.191  12.106  -8.482
  356    H    CYS  47           HN       CYS  47  -7.301  10.920  -8.184
  357    HA   CYS  47           HA       CYS  47  -6.381  10.227 -10.755
  358   1HB   CYS  47          HB2       CYS  47  -7.498   8.058 -11.012
  359   2HB   CYS  47          HB1       CYS  47  -6.236   7.969  -9.789
  Start of MODEL   13
    1   1H    ALA   1          HT1       ALA   1  -8.779  12.759  -9.110
    2   2H    ALA   1          HT2       ALA   1  -8.547  13.879  -7.862
    3   3H    ALA   1          HT3       ALA   1 -10.008  13.859  -8.712
    4    HA   ALA   1           HA       ALA   1 -10.397  12.830  -6.638
    5   1HB   ALA   1          HB1       ALA   1 -11.623  11.204  -7.547
    6   2HB   ALA   1          HB2       ALA   1 -10.187  10.317  -8.059
    7   3HB   ALA   1          HB3       ALA   1 -10.844  11.597  -9.080
    8    H    THR   2           HN       THR   2  -9.856  10.079  -6.145
    9    HA   THR   2           HA       THR   2  -6.985   9.909  -5.719
   10    HB   THR   2           HB       THR   2  -8.930   9.714  -3.404
   11    HG1  THR   2           HG1      THR   2  -7.120  11.756  -4.211
   12   1HG2  THR   2          HG21      THR   2  -7.251   8.905  -2.146
   13   2HG2  THR   2          HG22      THR   2  -6.068  10.002  -2.859
   14   3HG2  THR   2          HG23      THR   2  -6.485   8.499  -3.682
   15    H    CYS   3           HN       CYS   3  -6.438   7.974  -6.352
   16    HA   CYS   3           HA       CYS   3  -8.401   5.822  -6.379
   17   1HB   CYS   3          HB2       CYS   3  -5.750   6.254  -7.754
   18   2HB   CYS   3          HB1       CYS   3  -6.555   4.684  -7.759
   19    H    LYS   4           HN       LYS   4  -8.201   3.974  -5.227
   20    HA   LYS   4           HA       LYS   4  -5.807   3.617  -3.564
   21   1HB   LYS   4          HB2       LYS   4  -7.516   4.685  -2.174
   22   2HB   LYS   4          HB1       LYS   4  -8.675   3.440  -2.617
   23   1HG   LYS   4          HG2       LYS   4  -7.202   1.760  -1.532
   24   2HG   LYS   4          HG1       LYS   4  -6.168   3.083  -0.987
   25   1HD   LYS   4          HD2       LYS   4  -7.698   2.429   0.781
   26   2HD   LYS   4          HD1       LYS   4  -8.079   4.057   0.216
   27   1HE   LYS   4          HE2       LYS   4  -9.871   3.124  -1.195
   28   2HE   LYS   4          HE1       LYS   4  -9.508   1.516  -0.570
   29   1HZ   LYS   4          HZ1       LYS   4 -11.270   3.325   0.493
   30   2HZ   LYS   4          HZ2       LYS   4  -9.939   3.387   1.535
   31   3HZ   LYS   4          HZ3       LYS   4 -10.710   1.911   1.236
   32    H    ALA   5           HN       ALA   5  -5.060   1.618  -3.552
   33    HA   ALA   5           HA       ALA   5  -6.651  -0.730  -3.742
   34   1HB   ALA   5          HB1       ALA   5  -6.553   0.192  -6.156
   35   2HB   ALA   5          HB2       ALA   5  -6.168  -1.509  -5.893
   36   3HB   ALA   5          HB3       ALA   5  -4.871  -0.337  -6.128
   37    H    GLU   6           HN       GLU   6  -5.421  -2.571  -3.221
   38    HA   GLU   6           HA       GLU   6  -3.055  -2.084  -1.779
   39   1HB   GLU   6          HB2       GLU   6  -3.987  -4.766  -2.816
   40   2HB   GLU   6          HB1       GLU   6  -2.899  -4.472  -1.473
   41   1HG   GLU   6          HG2       GLU   6  -4.776  -4.850  -0.294
   42   2HG   GLU   6          HG1       GLU   6  -4.992  -3.123  -0.566
   43    H    CYS   7           HN       CYS   7  -0.949  -2.501  -2.198
   44    HA   CYS   7           HA       CYS   7   0.021  -2.053  -4.774
   45   1HB   CYS   7          HB2       CYS   7   1.354  -1.664  -2.731
   46   2HB   CYS   7          HB1       CYS   7   1.463  -3.403  -2.478
   47    HA   PRO   8           HA       PRO   8  -0.712  -5.963  -6.758
   48   1HB   PRO   8          HB2       PRO   8   1.486  -5.029  -8.527
   49   2HB   PRO   8          HB1       PRO   8  -0.147  -5.558  -8.944
   50   1HG   PRO   8          HG2       PRO   8   0.504  -2.978  -9.022
   51   2HG   PRO   8          HG1       PRO   8  -1.087  -3.499  -8.437
   52   1HD   PRO   8          HD2       PRO   8   1.303  -2.593  -6.883
   53   2HD   PRO   8          HD1       PRO   8  -0.419  -2.263  -6.600
   54    H    THR   9           HN       THR   9   2.629  -4.845  -6.284
   55    HA   THR   9           HA       THR   9   3.594  -7.584  -6.228
   56    HB   THR   9           HB       THR   9   5.831  -6.544  -5.901
   57    HG1  THR   9           HG1      THR   9   4.421  -4.450  -5.160
   58   1HG2  THR   9          HG21      THR   9   4.086  -6.220  -8.205
   59   2HG2  THR   9          HG22      THR   9   5.768  -6.746  -8.129
   60   3HG2  THR   9          HG23      THR   9   5.382  -5.025  -8.169
   61    H    TRP  10           HN       TRP  10   1.799  -7.186  -4.189
   62    HA   TRP  10           HA       TRP  10   3.566  -7.301  -1.845
   63   1HB   TRP  10          HB2       TRP  10   2.321  -5.108  -1.967
   64   2HB   TRP  10          HB1       TRP  10   0.825  -6.025  -1.812
   65    HD1  TRP  10           HD1      TRP  10   0.163  -6.884   0.580
   66    HE1  TRP  10           HE1      TRP  10   1.142  -6.500   2.936
   67    HE3  TRP  10           HE3      TRP  10   4.585  -4.695  -0.737
   68    HZ2  TRP  10           HZ2      TRP  10   3.489  -5.377   4.075
   69    HZ3  TRP  10           HZ3      TRP  10   6.128  -3.982   1.039
   70    HH2  TRP  10           HH2      TRP  10   5.589  -4.320   3.392
   71    H    ASP  11           HN       ASP  11   3.310  -9.078  -0.703
   72    HA   ASP  11           HA       ASP  11   0.747 -10.407  -0.496
   73   1HB   ASP  11          HB2       ASP  11   1.885 -11.380  -2.542
   74   2HB   ASP  11          HB1       ASP  11   3.152 -11.967  -1.470
   75    H    SER  12           HN       SER  12   1.376  -9.330   1.588
   76    HA   SER  12           HA       SER  12   2.247 -11.281   3.446
   77   1HB   SER  12          HB2       SER  12   4.448 -10.459   2.459
   78   2HB   SER  12          HB1       SER  12   4.092  -8.895   3.192
   79    HG   SER  12           HG       SER  12   5.028 -11.181   4.337
   80    H    VAL  13           HN       VAL  13   2.466 -10.219   5.689
   81    HA   VAL  13           HA       VAL  13   0.141  -8.566   6.072
   82    HB   VAL  13           HB       VAL  13   2.157  -9.570   8.094
   83   1HG1  VAL  13          HG11      VAL  13  -0.046  -9.232   9.539
   84   2HG1  VAL  13          HG12      VAL  13  -0.339  -7.986   8.327
   85   3HG1  VAL  13          HG13      VAL  13   1.130  -7.940   9.302
   86   1HG2  VAL  13          HG21      VAL  13  -0.487 -10.780   8.115
   87   2HG2  VAL  13          HG22      VAL  13   1.105 -11.538   8.136
   88   3HG2  VAL  13          HG23      VAL  13   0.377 -11.057   6.603
   89    H    CYS  14           HN       CYS  14   0.174  -6.428   5.968
   90    HA   CYS  14           HA       CYS  14   2.642  -4.954   5.966
   91   1HB   CYS  14          HB2       CYS  14   0.599  -4.417   4.567
   92   2HB   CYS  14          HB1       CYS  14  -0.179  -3.865   6.043
   93    H    ILE  15           HN       ILE  15   3.651  -4.759   7.884
   94    HA   ILE  15           HA       ILE  15   2.054  -4.261  10.286
   95    HB   ILE  15           HB       ILE  15   5.005  -4.883  10.055
   96   1HG1  ILE  15          HG12      ILE  15   2.703  -6.675  10.867
   97   2HG1  ILE  15          HG11      ILE  15   3.532  -6.740   9.316
   98   1HG2  ILE  15          HG21      ILE  15   5.190  -4.678  12.287
   99   2HG2  ILE  15          HG22      ILE  15   3.596  -5.372  12.584
  100   3HG2  ILE  15          HG23      ILE  15   3.749  -3.672  12.138
  101   1HD1  ILE  15          HD11      ILE  15   5.590  -6.967  11.112
  102   2HD1  ILE  15          HD12      ILE  15   4.806  -8.297  10.260
  103   3HD1  ILE  15          HD13      ILE  15   4.284  -7.862  11.888
  104    H    ASN  16           HN       ASN  16   4.837  -2.953   8.535
  105    HA   ASN  16           HA       ASN  16   4.419  -0.393   9.920
  106   1HB   ASN  16          HB2       ASN  16   6.602  -1.383  10.432
  107   2HB   ASN  16          HB1       ASN  16   6.966  -1.507   8.714
  108   1HD2  ASN  16          HD21      ASN  16   8.745  -0.215   8.737
  109   2HD2  ASN  16          HD22      ASN  16   8.696   1.479   9.075
  110    H    LYS  17           HN       LYS  17   4.476   1.510   8.693
  111    HA   LYS  17           HA       LYS  17   3.300   1.306   6.144
  112   1HB   LYS  17          HB2       LYS  17   3.914   3.407   8.010
  113   2HB   LYS  17          HB1       LYS  17   4.316   3.912   6.373
  114   1HG   LYS  17          HG2       LYS  17   1.978   3.075   5.744
  115   2HG   LYS  17          HG1       LYS  17   1.659   3.078   7.480
  116   1HD   LYS  17          HD2       LYS  17   0.911   5.165   6.487
  117   2HD   LYS  17          HD1       LYS  17   2.274   5.465   7.567
  118   1HE   LYS  17          HE2       LYS  17   3.783   5.628   5.698
  119   2HE   LYS  17          HE1       LYS  17   2.513   5.145   4.577
  120   1HZ   LYS  17          HZ1       LYS  17   3.158   7.723   5.485
  121   2HZ   LYS  17          HZ2       LYS  17   1.583   7.363   5.971
  122   3HZ   LYS  17          HZ3       LYS  17   2.003   7.271   4.332
  123    H    LYS  18           HN       LYS  18   6.651   1.899   7.104
  124    HA   LYS  18           HA       LYS  18   7.723   2.938   4.818
  125   1HB   LYS  18          HB2       LYS  18   8.857   2.261   7.056
  126   2HB   LYS  18          HB1       LYS  18   9.202   0.747   6.237
  127   1HG   LYS  18          HG2       LYS  18  10.006   3.428   5.136
  128   2HG   LYS  18          HG1       LYS  18  11.034   2.472   6.201
  129   1HD   LYS  18          HD2       LYS  18  11.039   0.650   4.583
  130   2HD   LYS  18          HD1       LYS  18   9.959   1.565   3.529
  131   1HE   LYS  18          HE2       LYS  18  11.675   3.309   3.311
  132   2HE   LYS  18          HE1       LYS  18  12.753   2.366   4.338
  133   1HZ   LYS  18          HZ1       LYS  18  13.213   0.923   2.685
  134   2HZ   LYS  18          HZ2       LYS  18  12.784   2.227   1.697
  135   3HZ   LYS  18          HZ3       LYS  18  11.663   1.001   2.011
  136    HA   PRO  19           HA       PRO  19   8.410  -1.524   2.839
  137   1HB   PRO  19          HB2       PRO  19   6.117  -2.885   4.177
  138   2HB   PRO  19          HB1       PRO  19   7.679  -3.549   3.693
  139   1HG   PRO  19          HG2       PRO  19   7.194  -3.050   6.243
  140   2HG   PRO  19          HG1       PRO  19   8.775  -2.641   5.546
  141   1HD   PRO  19          HD2       PRO  19   6.463  -0.847   6.182
  142   2HD   PRO  19          HD1       PRO  19   8.201  -0.571   6.419
  143    H    CYS  20           HN       CYS  20   5.140  -0.667   3.888
  144    HA   CYS  20           HA       CYS  20   3.806  -1.346   1.509
  145   1HB   CYS  20          HB2       CYS  20   2.742  -0.970   3.749
  146   2HB   CYS  20          HB1       CYS  20   3.001   0.757   3.533
  147    H    VAL  21           HN       VAL  21   4.999   1.795   2.705
  148    HA   VAL  21           HA       VAL  21   4.203   3.388   0.563
  149    HB   VAL  21           HB       VAL  21   6.667   3.685   2.297
  150   1HG1  VAL  21          HG11      VAL  21   5.726   6.193   1.455
  151   2HG1  VAL  21          HG12      VAL  21   5.804   5.184   0.011
  152   3HG1  VAL  21          HG13      VAL  21   7.239   5.403   1.012
  153   1HG2  VAL  21          HG21      VAL  21   5.224   5.363   3.476
  154   2HG2  VAL  21          HG22      VAL  21   4.720   3.684   3.664
  155   3HG2  VAL  21          HG23      VAL  21   3.860   4.743   2.546
  156    H    ALA  22           HN       ALA  22   7.165   1.492   0.995
  157    HA   ALA  22           HA       ALA  22   8.486   2.338  -1.341
  158   1HB   ALA  22          HB1       ALA  22  10.088   0.969  -0.613
  159   2HB   ALA  22          HB2       ALA  22   9.024  -0.434  -0.704
  160   3HB   ALA  22          HB3       ALA  22   9.027   0.577   0.740
  161    H    CYS  23           HN       CYS  23   6.244  -0.329  -0.735
  162    HA   CYS  23           HA       CYS  23   6.337  -1.437  -3.340
  163   1HB   CYS  23          HB2       CYS  23   5.372  -2.412  -1.120
  164   2HB   CYS  23          HB1       CYS  23   3.902  -1.561  -1.578
  165    H    CYS  24           HN       CYS  24   4.141   0.826  -1.757
  166    HA   CYS  24           HA       CYS  24   2.374   1.223  -3.873
  167   1HB   CYS  24          HB2       CYS  24   3.177   3.035  -1.598
  168   2HB   CYS  24          HB1       CYS  24   1.819   3.351  -2.676
  169    H    LYS  25           HN       LYS  25   5.285   3.093  -3.001
  170    HA   LYS  25           HA       LYS  25   4.955   4.947  -5.097
  171   1HB   LYS  25          HB2       LYS  25   7.365   4.208  -3.455
  172   2HB   LYS  25          HB1       LYS  25   7.388   5.484  -4.671
  173   1HG   LYS  25          HG2       LYS  25   5.439   6.518  -3.466
  174   2HG   LYS  25          HG1       LYS  25   5.716   5.349  -2.177
  175   1HD   LYS  25          HD2       LYS  25   7.923   6.237  -1.788
  176   2HD   LYS  25          HD1       LYS  25   7.764   7.326  -3.171
  177   1HE   LYS  25          HE2       LYS  25   5.882   8.442  -2.065
  178   2HE   LYS  25          HE1       LYS  25   6.056   7.363  -0.683
  179   1HZ   LYS  25          HZ1       LYS  25   7.148   9.730  -0.727
  180   2HZ   LYS  25          HZ2       LYS  25   8.395   8.905  -1.517
  181   3HZ   LYS  25          HZ3       LYS  25   7.912   8.425   0.031
  182    H    LYS  26           HN       LYS  26   6.526   1.792  -4.999
  183    HA   LYS  26           HA       LYS  26   7.871   2.095  -7.493
  184   1HB   LYS  26          HB2       LYS  26   8.486  -0.116  -7.315
  185   2HB   LYS  26          HB1       LYS  26   8.084   0.194  -5.632
  186   1HG   LYS  26          HG2       LYS  26   5.921  -0.826  -5.913
  187   2HG   LYS  26          HG1       LYS  26   6.201  -1.025  -7.641
  188   1HD   LYS  26          HD2       LYS  26   6.612  -3.136  -6.715
  189   2HD   LYS  26          HD1       LYS  26   8.213  -2.444  -6.977
  190   1HE   LYS  26          HE2       LYS  26   8.597  -2.139  -4.733
  191   2HE   LYS  26          HE1       LYS  26   6.879  -2.048  -4.342
  192   1HZ   LYS  26          HZ1       LYS  26   7.674  -4.108  -3.534
  193   2HZ   LYS  26          HZ2       LYS  26   8.451  -4.476  -4.989
  194   3HZ   LYS  26          HZ3       LYS  26   6.759  -4.460  -4.915
  195    H    ALA  27           HN       ALA  27   4.646   1.191  -6.505
  196    HA   ALA  27           HA       ALA  27   3.824   0.456  -9.190
  197   1HB   ALA  27          HB1       ALA  27   2.973  -0.256  -6.658
  198   2HB   ALA  27          HB2       ALA  27   2.168  -0.642  -8.179
  199   3HB   ALA  27          HB3       ALA  27   1.681   0.783  -7.261
  200    H    LYS  28           HN       LYS  28   4.629   3.255  -8.136
  201    HA   LYS  28           HA       LYS  28   4.197   5.395  -8.687
  202   1HB   LYS  28          HB2       LYS  28   3.717   4.310 -10.921
  203   2HB   LYS  28          HB1       LYS  28   2.013   4.381 -10.500
  204   1HG   LYS  28          HG2       LYS  28   2.071   6.780 -10.432
  205   2HG   LYS  28          HG1       LYS  28   3.821   6.784 -10.657
  206   1HD   LYS  28          HD2       LYS  28   1.802   5.739 -12.643
  207   2HD   LYS  28          HD1       LYS  28   2.616   7.301 -12.740
  208   1HE   LYS  28          HE2       LYS  28   4.780   6.161 -12.879
  209   2HE   LYS  28          HE1       LYS  28   3.965   4.601 -12.780
  210   1HZ   LYS  28          HZ1       LYS  28   3.035   6.374 -14.881
  211   2HZ   LYS  28          HZ2       LYS  28   3.319   4.707 -14.917
  212   3HZ   LYS  28          HZ3       LYS  28   4.611   5.788 -15.071
  213    H    PHE  29           HN       PHE  29   3.277   4.951  -6.338
  214    HA   PHE  29           HA       PHE  29   0.653   6.279  -6.266
  215   1HB   PHE  29          HB2       PHE  29   1.570   3.987  -4.528
  216   2HB   PHE  29          HB1       PHE  29   0.273   5.069  -4.041
  217    HD1  PHE  29           HD1      PHE  29   1.284   2.573  -6.576
  218    HD2  PHE  29           HD2      PHE  29  -1.903   4.824  -4.883
  219    HE1  PHE  29           HE1      PHE  29  -0.341   1.187  -7.798
  220    HE2  PHE  29           HE2      PHE  29  -3.533   3.444  -6.101
  221    HZ   PHE  29           HZ       PHE  29  -2.753   1.621  -7.560
  222    H    SER  30           HN       SER  30   0.423   7.840  -4.651
  223    HA   SER  30           HA       SER  30   2.773   9.222  -3.963
  224   1HB   SER  30          HB2       SER  30   0.387   9.901  -2.404
  225   2HB   SER  30          HB1       SER  30   1.338  10.901  -3.506
  226    HG   SER  30           HG       SER  30  -0.203  10.607  -4.913
  227    H    ASP  31           HN       ASP  31   0.537   7.290  -1.991
  228    HA   ASP  31           HA       ASP  31   2.665   6.762  -0.089
  229   1HB   ASP  31          HB2       ASP  31   1.587   8.945   0.629
  230   2HB   ASP  31          HB1       ASP  31   0.110   8.033   0.913
  231    H    GLY  32           HN       GLY  32   2.109   5.124   1.452
  232   1HA   GLY  32          HA2       GLY  32  -0.211   3.482   0.629
  233   2HA   GLY  32          HA1       GLY  32   1.361   2.779   0.996
  234    H    HIS  33           HN       HIS  33  -0.976   1.983   2.287
  235    HA   HIS  33           HA       HIS  33  -0.219   2.515   5.024
  236   1HB   HIS  33          HB2       HIS  33  -2.546   3.162   5.703
  237   2HB   HIS  33          HB1       HIS  33  -1.708   4.376   4.747
  238    HD1  HIS  33           HD1      HIS  33  -2.422   4.376   2.097
  239    HD2  HIS  33           HD2      HIS  33  -4.997   2.468   4.743
  240    HE1  HIS  33           HE1      HIS  33  -4.596   4.139   0.868
  241    H    CYS  34           HN       CYS  34  -0.570   0.810   6.277
  242    HA   CYS  34           HA       CYS  34  -1.506  -1.627   5.149
  243   1HB   CYS  34          HB2       CYS  34  -1.088  -1.062   8.086
  244   2HB   CYS  34          HB1       CYS  34  -0.973  -2.611   7.260
  245    H    SER  35           HN       SER  35  -3.490  -2.601   5.331
  246    HA   SER  35           HA       SER  35  -5.665  -0.975   6.304
  247   1HB   SER  35          HB2       SER  35  -7.052  -2.962   5.500
  248   2HB   SER  35          HB1       SER  35  -6.125  -2.094   4.276
  249    HG   SER  35           HG       SER  35  -4.693  -3.730   4.169
  250    H    LYS  36           HN       LYS  36  -7.363  -3.186   7.073
  251    HA   LYS  36           HA       LYS  36  -6.181  -3.841   9.686
  252   1HB   LYS  36          HB2       LYS  36  -7.839  -2.107   9.981
  253   2HB   LYS  36          HB1       LYS  36  -9.022  -3.029   9.064
  254   1HG   LYS  36          HG2       LYS  36  -9.033  -4.747  10.797
  255   2HG   LYS  36          HG1       LYS  36  -7.844  -3.825  11.719
  256   1HD   LYS  36          HD2       LYS  36  -9.432  -1.969  11.905
  257   2HD   LYS  36          HD1       LYS  36 -10.619  -2.894  10.982
  258   1HE   LYS  36          HE2       LYS  36 -10.622  -4.616  12.724
  259   2HE   LYS  36          HE1       LYS  36  -9.444  -3.684  13.646
  260   1HZ   LYS  36          HZ1       LYS  36 -11.399  -1.883  13.232
  261   2HZ   LYS  36          HZ2       LYS  36 -11.245  -2.828  14.626
  262   3HZ   LYS  36          HZ3       LYS  36 -12.293  -3.311  13.390
  263    H    ILE  37           HN       ILE  37  -8.472  -4.867   7.190
  264    HA   ILE  37           HA       ILE  37  -9.296  -7.274   8.341
  265    HB   ILE  37           HB       ILE  37  -8.980  -6.796   5.380
  266   1HG1  ILE  37          HG12      ILE  37 -11.328  -6.060   7.142
  267   2HG1  ILE  37          HG11      ILE  37 -10.157  -4.908   6.508
  268   1HG2  ILE  37          HG21      ILE  37 -11.344  -8.212   6.253
  269   2HG2  ILE  37          HG22      ILE  37  -9.873  -9.011   6.808
  270   3HG2  ILE  37          HG23      ILE  37 -10.110  -8.696   5.089
  271   1HD1  ILE  37          HD11      ILE  37 -11.331  -4.721   4.647
  272   2HD1  ILE  37          HD12      ILE  37 -12.527  -5.839   5.304
  273   3HD1  ILE  37          HD13      ILE  37 -11.178  -6.452   4.347
  274    H    LEU  38           HN       LEU  38  -7.496  -7.552   5.338
  275    HA   LEU  38           HA       LEU  38  -6.052  -9.826   6.429
  276   1HB   LEU  38          HB2       LEU  38  -7.136  -9.808   4.147
  277   2HB   LEU  38          HB1       LEU  38  -5.894  -8.683   3.644
  278    HG   LEU  38           HG       LEU  38  -4.175 -10.369   4.199
  279   1HD1  LEU  38          HD11      LEU  38  -6.362 -12.406   4.373
  280   2HD1  LEU  38          HD12      LEU  38  -5.781 -11.572   5.814
  281   3HD1  LEU  38          HD13      LEU  38  -4.670 -12.544   4.849
  282   1HD2  LEU  38          HD21      LEU  38  -6.173 -11.545   2.290
  283   2HD2  LEU  38          HD22      LEU  38  -4.412 -11.600   2.212
  284   3HD2  LEU  38          HD23      LEU  38  -5.262 -10.083   1.914
  285    H    ARG  39           HN       ARG  39  -5.628  -6.724   6.651
  286    HA   ARG  39           HA       ARG  39  -3.945  -5.276   7.044
  287   1HB   ARG  39          HB2       ARG  39  -3.258  -7.495   8.374
  288   2HB   ARG  39          HB1       ARG  39  -1.906  -7.430   7.250
  289   1HG   ARG  39          HG2       ARG  39  -1.229  -6.299   9.212
  290   2HG   ARG  39          HG1       ARG  39  -1.533  -5.062   7.989
  291   1HD   ARG  39          HD2       ARG  39  -3.932  -5.049   9.039
  292   2HD   ARG  39          HD1       ARG  39  -3.110  -5.754  10.429
  293    HE   ARG  39           HE       ARG  39  -3.088  -3.040   9.641
  294   1HH1  ARG  39          HH11      ARG  39  -1.008  -5.497  11.033
  295   2HH1  ARG  39          HH12      ARG  39   0.046  -4.355  11.797
  296   1HH2  ARG  39          HH21      ARG  39  -1.701  -1.535  10.658
  297   2HH2  ARG  39          HH22      ARG  39  -0.345  -2.096  11.579
  298    H    ARG  40           HN       ARG  40  -4.531  -6.014   4.356
  299    HA   ARG  40           HA       ARG  40  -2.176  -6.369   2.806
  300   1HB   ARG  40          HB2       ARG  40  -4.869  -5.202   2.093
  301   2HB   ARG  40          HB1       ARG  40  -3.595  -5.506   0.926
  302   1HG   ARG  40          HG2       ARG  40  -3.709  -7.899   1.439
  303   2HG   ARG  40          HG1       ARG  40  -5.013  -7.577   2.589
  304   1HD   ARG  40          HD2       ARG  40  -6.386  -6.663   0.802
  305   2HD   ARG  40          HD1       ARG  40  -5.081  -6.913  -0.353
  306    HE   ARG  40           HE       ARG  40  -5.703  -9.367   0.841
  307   1HH1  ARG  40          HH11      ARG  40  -7.116  -6.994  -1.325
  308   2HH1  ARG  40          HH12      ARG  40  -8.065  -8.173  -2.186
  309   1HH2  ARG  40          HH21      ARG  40  -6.953 -10.921  -0.302
  310   2HH2  ARG  40          HH22      ARG  40  -7.975 -10.404  -1.601
  311    H    CYS  41           HN       CYS  41  -1.080  -4.823   1.515
  312    HA   CYS  41           HA       CYS  41  -0.788  -2.239   2.779
  313   1HB   CYS  41          HB2       CYS  41   1.257  -3.256   2.130
  314   2HB   CYS  41          HB1       CYS  41   0.642  -3.658   0.533
  315    H    LEU  42           HN       LEU  42  -2.607  -1.043   2.334
  316    HA   LEU  42           HA       LEU  42  -3.653  -0.864  -0.349
  317   1HB   LEU  42          HB2       LEU  42  -4.397   0.218   2.320
  318   2HB   LEU  42          HB1       LEU  42  -4.943   1.117   0.920
  319    HG   LEU  42           HG       LEU  42  -6.055  -0.962   0.091
  320   1HD1  LEU  42          HD11      LEU  42  -5.884  -2.174   2.781
  321   2HD1  LEU  42          HD12      LEU  42  -4.473  -2.335   1.736
  322   3HD1  LEU  42          HD13      LEU  42  -6.042  -2.934   1.198
  323   1HD2  LEU  42          HD21      LEU  42  -7.711   0.225   1.016
  324   2HD2  LEU  42          HD22      LEU  42  -6.774   0.586   2.466
  325   3HD2  LEU  42          HD23      LEU  42  -7.617  -0.956   2.322
  326    H    CYS  43           HN       CYS  43  -3.003   0.512  -1.851
  327    HA   CYS  43           HA       CYS  43  -1.242   2.708  -1.038
  328   1HB   CYS  43          HB2       CYS  43  -1.648   1.464  -3.761
  329   2HB   CYS  43          HB1       CYS  43  -0.479   2.715  -3.361
  330    H    THR  44           HN       THR  44  -1.609   4.797  -1.655
  331    HA   THR  44           HA       THR  44  -4.162   5.356  -3.004
  332    HB   THR  44           HB       THR  44  -3.955   7.489  -1.361
  333    HG1  THR  44           HG1      THR  44  -2.149   6.473  -0.264
  334   1HG2  THR  44          HG21      THR  44  -5.250   4.989  -0.330
  335   2HG2  THR  44          HG22      THR  44  -5.854   5.788  -1.781
  336   3HG2  THR  44          HG23      THR  44  -5.823   6.655  -0.245
  337    H    LYS  45           HN       LYS  45  -4.183   7.073  -4.376
  338    HA   LYS  45           HA       LYS  45  -2.077   9.005  -4.467
  339   1HB   LYS  45          HB2       LYS  45  -1.166   8.512  -6.629
  340   2HB   LYS  45          HB1       LYS  45  -1.004   7.075  -5.634
  341   1HG   LYS  45          HG2       LYS  45  -2.346   5.852  -6.958
  342   2HG   LYS  45          HG1       LYS  45  -3.445   7.199  -7.267
  343   1HD   LYS  45          HD2       LYS  45  -2.134   8.039  -8.993
  344   2HD   LYS  45          HD1       LYS  45  -0.689   7.195  -8.436
  345   1HE   LYS  45          HE2       LYS  45  -3.114   5.774  -9.512
  346   2HE   LYS  45          HE1       LYS  45  -1.769   6.288 -10.530
  347   1HZ   LYS  45          HZ1       LYS  45  -1.299   4.086  -9.972
  348   2HZ   LYS  45          HZ2       LYS  45  -1.758   4.284  -8.358
  349   3HZ   LYS  45          HZ3       LYS  45  -0.323   4.988  -8.920
  350    H    GLU  46           HN       GLU  46  -2.422  10.576  -6.223
  351    HA   GLU  46           HA       GLU  46  -5.233  11.119  -6.462
  352   1HB   GLU  46          HB2       GLU  46  -4.479  13.182  -7.630
  353   2HB   GLU  46          HB1       GLU  46  -3.751  12.976  -6.047
  354   1HG   GLU  46          HG2       GLU  46  -2.283  12.038  -8.468
  355   2HG   GLU  46          HG1       GLU  46  -2.327  13.756  -8.088
  356    H    CYS  47           HN       CYS  47  -6.445  11.233  -8.348
  357    HA   CYS  47           HA       CYS  47  -5.315  10.507 -10.887
  358   1HB   CYS  47          HB2       CYS  47  -6.773   8.514 -11.195
  359   2HB   CYS  47          HB1       CYS  47  -5.530   8.278  -9.972
  Start of MODEL   14
    1   1H    ALA   1          HT1       ALA   1 -12.461   9.421  -6.546
    2   2H    ALA   1          HT2       ALA   1 -12.563   9.101  -8.205
    3   3H    ALA   1          HT3       ALA   1 -13.097  10.584  -7.597
    4    HA   ALA   1           HA       ALA   1 -10.711  10.179  -8.694
    5   1HB   ALA   1          HB1       ALA   1 -10.834  12.385  -8.471
    6   2HB   ALA   1          HB2       ALA   1 -10.340  12.217  -6.786
    7   3HB   ALA   1          HB3       ALA   1 -12.053  12.221  -7.206
    8    H    THR   2           HN       THR   2 -10.842   7.969  -6.979
    9    HA   THR   2           HA       THR   2  -8.307   8.238  -5.611
   10    HB   THR   2           HB       THR   2 -10.680   7.175  -4.067
   11    HG1  THR   2           HG1      THR   2  -9.562   9.774  -4.205
   12   1HG2  THR   2          HG21      THR   2  -7.776   7.532  -3.544
   13   2HG2  THR   2          HG22      THR   2  -8.873   6.260  -3.007
   14   3HG2  THR   2          HG23      THR   2  -8.888   7.833  -2.208
   15    H    CYS   3           HN       CYS   3  -7.202   6.591  -6.427
   16    HA   CYS   3           HA       CYS   3  -8.618   4.064  -6.948
   17   1HB   CYS   3          HB2       CYS   3  -6.189   5.303  -8.242
   18   2HB   CYS   3          HB1       CYS   3  -6.637   3.615  -8.486
   19    H    LYS   4           HN       LYS   4  -7.823   2.149  -6.152
   20    HA   LYS   4           HA       LYS   4  -5.295   2.129  -4.745
   21   1HB   LYS   4          HB2       LYS   4  -6.247   1.297  -2.646
   22   2HB   LYS   4          HB1       LYS   4  -6.787   2.928  -3.007
   23   1HG   LYS   4          HG2       LYS   4  -8.927   2.057  -3.780
   24   2HG   LYS   4          HG1       LYS   4  -8.384   0.414  -3.433
   25   1HD   LYS   4          HD2       LYS   4  -8.130   0.992  -1.072
   26   2HD   LYS   4          HD1       LYS   4  -8.659   2.641  -1.415
   27   1HE   LYS   4          HE2       LYS   4 -10.291   0.128  -1.787
   28   2HE   LYS   4          HE1       LYS   4 -10.493   1.320  -0.503
   29   1HZ   LYS   4          HZ1       LYS   4 -11.910   2.346  -1.845
   30   2HZ   LYS   4          HZ2       LYS   4 -11.518   1.347  -3.152
   31   3HZ   LYS   4          HZ3       LYS   4 -10.612   2.744  -2.855
   32    H    ALA   5           HN       ALA   5  -4.399   0.188  -4.540
   33    HA   ALA   5           HA       ALA   5  -5.752  -2.298  -4.883
   34   1HB   ALA   5          HB1       ALA   5  -5.215  -2.899  -7.028
   35   2HB   ALA   5          HB2       ALA   5  -3.802  -1.845  -7.085
   36   3HB   ALA   5          HB3       ALA   5  -5.418  -1.163  -7.269
   37    H    GLU   6           HN       GLU   6  -4.347  -4.049  -4.377
   38    HA   GLU   6           HA       GLU   6  -2.232  -3.406  -2.658
   39   1HB   GLU   6          HB2       GLU   6  -2.617  -6.059  -4.052
   40   2HB   GLU   6          HB1       GLU   6  -1.742  -5.765  -2.560
   41   1HG   GLU   6          HG2       GLU   6  -3.651  -6.525  -1.656
   42   2HG   GLU   6          HG1       GLU   6  -4.120  -4.835  -1.819
   43    H    CYS   7           HN       CYS   7  -0.072  -3.338  -2.878
   44    HA   CYS   7           HA       CYS   7   1.060  -2.559  -5.304
   45   1HB   CYS   7          HB2       CYS   7   2.031  -2.177  -2.993
   46   2HB   CYS   7          HB1       CYS   7   2.584  -3.848  -3.024
   47    HA   PRO   8           HA       PRO   8   1.108  -6.387  -7.579
   48   1HB   PRO   8          HB2       PRO   8   3.386  -5.017  -8.933
   49   2HB   PRO   8          HB1       PRO   8   1.964  -5.797  -9.635
   50   1HG   PRO   8          HG2       PRO   8   2.126  -3.146  -9.513
   51   2HG   PRO   8          HG1       PRO   8   0.589  -3.977  -9.208
   52   1HD   PRO   8          HD2       PRO   8   2.481  -2.714  -7.277
   53   2HD   PRO   8          HD1       PRO   8   0.708  -2.798  -7.232
   54    H    THR   9           HN       THR   9   4.133  -4.909  -6.501
   55    HA   THR   9           HA       THR   9   5.441  -7.511  -6.423
   56    HB   THR   9           HB       THR   9   7.439  -6.141  -5.701
   57    HG1  THR   9           HG1      THR   9   5.925  -4.344  -5.028
   58   1HG2  THR   9          HG21      THR   9   7.757  -6.493  -7.902
   59   2HG2  THR   9          HG22      THR   9   7.262  -4.810  -8.085
   60   3HG2  THR   9          HG23      THR   9   6.083  -6.105  -8.301
   61    H    TRP  10           HN       TRP  10   3.362  -7.446  -4.639
   62    HA   TRP  10           HA       TRP  10   4.802  -7.555  -2.103
   63   1HB   TRP  10          HB2       TRP  10   3.693  -5.300  -2.277
   64   2HB   TRP  10          HB1       TRP  10   2.143  -6.135  -2.343
   65    HD1  TRP  10           HD1      TRP  10   1.332  -7.388  -0.078
   66    HE1  TRP  10           HE1      TRP  10   1.957  -6.985   2.393
   67    HE3  TRP  10           HE3      TRP  10   5.531  -4.563  -0.767
   68    HZ2  TRP  10           HZ2      TRP  10   3.974  -5.611   3.848
   69    HZ3  TRP  10           HZ3      TRP  10   6.736  -3.732   1.206
   70    HH2  TRP  10           HH2      TRP  10   5.972  -4.249   3.463
   71    H    ASP  11           HN       ASP  11   4.379  -9.378  -1.119
   72    HA   ASP  11           HA       ASP  11   1.731 -10.535  -1.120
   73   1HB   ASP  11          HB2       ASP  11   2.863 -11.510  -3.152
   74   2HB   ASP  11          HB1       ASP  11   4.070 -12.207  -2.075
   75    H    SER  12           HN       SER  12   2.488  -9.480   0.985
   76    HA   SER  12           HA       SER  12   3.260 -11.603   2.789
   77   1HB   SER  12          HB2       SER  12   4.859  -9.031   2.633
   78   2HB   SER  12          HB1       SER  12   5.059 -10.291   3.850
   79    HG   SER  12           HG       SER  12   5.181 -11.423   1.439
   80    H    VAL  13           HN       VAL  13   3.188 -10.730   5.113
   81    HA   VAL  13           HA       VAL  13   0.666  -9.409   5.445
   82    HB   VAL  13           HB       VAL  13   2.684 -10.285   7.523
   83   1HG1  VAL  13          HG11      VAL  13   1.239  -8.663   8.504
   84   2HG1  VAL  13          HG12      VAL  13   0.701 -10.252   9.048
   85   3HG1  VAL  13          HG13      VAL  13  -0.185  -9.408   7.778
   86   1HG2  VAL  13          HG21      VAL  13   1.749 -12.081   6.031
   87   2HG2  VAL  13          HG22      VAL  13   0.160 -11.698   6.691
   88   3HG2  VAL  13          HG23      VAL  13   1.436 -12.292   7.754
   89    H    CYS  14           HN       CYS  14   0.394  -7.303   5.488
   90    HA   CYS  14           HA       CYS  14   2.592  -5.474   5.709
   91   1HB   CYS  14          HB2       CYS  14   0.539  -5.149   4.269
   92   2HB   CYS  14          HB1       CYS  14  -0.369  -4.852   5.744
   93    H    ILE  15           HN       ILE  15   3.500  -5.482   7.715
   94    HA   ILE  15           HA       ILE  15   1.753  -5.221  10.052
   95    HB   ILE  15           HB       ILE  15   4.746  -5.660   9.939
   96   1HG1  ILE  15          HG12      ILE  15   2.527  -7.630  10.545
   97   2HG1  ILE  15          HG11      ILE  15   3.417  -7.553   9.028
   98   1HG2  ILE  15          HG21      ILE  15   3.506  -6.484  12.385
   99   2HG2  ILE  15          HG22      ILE  15   3.100  -4.800  12.054
  100   3HG2  ILE  15          HG23      ILE  15   4.790  -5.301  12.131
  101   1HD1  ILE  15          HD11      ILE  15   4.983  -8.870   9.856
  102   2HD1  ILE  15          HD12      ILE  15   4.051  -9.006  11.347
  103   3HD1  ILE  15          HD13      ILE  15   5.272  -7.745  11.183
  104    H    ASN  16           HN       ASN  16   4.666  -3.725   8.676
  105    HA   ASN  16           HA       ASN  16   4.069  -1.283  10.179
  106   1HB   ASN  16          HB2       ASN  16   6.379  -2.335  10.303
  107   2HB   ASN  16          HB1       ASN  16   6.584  -1.893   8.612
  108   1HD2  ASN  16          HD21      ASN  16   7.028  -0.927  11.760
  109   2HD2  ASN  16          HD22      ASN  16   7.300   0.759  11.492
  110    H    LYS  17           HN       LYS  17   3.656   0.630   9.138
  111    HA   LYS  17           HA       LYS  17   2.497   0.472   6.572
  112   1HB   LYS  17          HB2       LYS  17   1.914   2.064   8.480
  113   2HB   LYS  17          HB1       LYS  17   3.283   3.030   7.951
  114   1HG   LYS  17          HG2       LYS  17   2.240   3.238   5.726
  115   2HG   LYS  17          HG1       LYS  17   0.843   2.342   6.325
  116   1HD   LYS  17          HD2       LYS  17   0.617   4.108   8.109
  117   2HD   LYS  17          HD1       LYS  17   1.839   5.036   7.238
  118   1HE   LYS  17          HE2       LYS  17  -0.840   4.146   6.172
  119   2HE   LYS  17          HE1       LYS  17  -0.390   5.787   6.633
  120   1HZ   LYS  17          HZ1       LYS  17   1.431   5.510   4.872
  121   2HZ   LYS  17          HZ2       LYS  17  -0.153   5.768   4.336
  122   3HZ   LYS  17          HZ3       LYS  17   0.509   4.209   4.306
  123    H    LYS  18           HN       LYS  18   5.652   1.616   7.670
  124    HA   LYS  18           HA       LYS  18   6.484   3.076   5.495
  125   1HB   LYS  18          HB2       LYS  18   7.773   2.857   7.575
  126   2HB   LYS  18          HB1       LYS  18   8.207   1.212   7.130
  127   1HG   LYS  18          HG2       LYS  18   9.397   2.046   5.171
  128   2HG   LYS  18          HG1       LYS  18   8.951   3.698   5.599
  129   1HD   LYS  18          HD2       LYS  18  11.215   3.260   6.319
  130   2HD   LYS  18          HD1       LYS  18  10.173   3.440   7.731
  131   1HE   LYS  18          HE2       LYS  18  10.060   1.021   7.975
  132   2HE   LYS  18          HE1       LYS  18  11.049   0.814   6.530
  133   1HZ   LYS  18          HZ1       LYS  18  12.333   0.599   8.587
  134   2HZ   LYS  18          HZ2       LYS  18  11.935   2.187   9.010
  135   3HZ   LYS  18          HZ3       LYS  18  12.880   1.889   7.640
  136    HA   PRO  19           HA       PRO  19   8.313  -1.010   3.358
  137   1HB   PRO  19          HB2       PRO  19   6.200  -2.837   4.428
  138   2HB   PRO  19          HB1       PRO  19   7.875  -3.199   4.001
  139   1HG   PRO  19          HG2       PRO  19   7.198  -2.964   6.539
  140   2HG   PRO  19          HG1       PRO  19   8.708  -2.232   5.960
  141   1HD   PRO  19          HD2       PRO  19   6.089  -0.930   6.591
  142   2HD   PRO  19          HD1       PRO  19   7.739  -0.355   6.907
  143    H    CYS  20           HN       CYS  20   4.851  -0.887   4.105
  144    HA   CYS  20           HA       CYS  20   3.916  -1.611   1.556
  145   1HB   CYS  20          HB2       CYS  20   2.541  -1.670   3.614
  146   2HB   CYS  20          HB1       CYS  20   2.561   0.088   3.669
  147    H    VAL  21           HN       VAL  21   4.282   1.595   3.075
  148    HA   VAL  21           HA       VAL  21   3.458   3.135   0.889
  149    HB   VAL  21           HB       VAL  21   5.525   3.890   2.968
  150   1HG1  VAL  21          HG11      VAL  21   3.717   5.863   1.673
  151   2HG1  VAL  21          HG12      VAL  21   5.107   5.278   0.758
  152   3HG1  VAL  21          HG13      VAL  21   5.347   6.072   2.314
  153   1HG2  VAL  21          HG21      VAL  21   2.854   4.967   3.307
  154   2HG2  VAL  21          HG22      VAL  21   3.900   4.151   4.469
  155   3HG2  VAL  21          HG23      VAL  21   2.881   3.205   3.384
  156    H    ALA  22           HN       ALA  22   6.613   1.762   1.686
  157    HA   ALA  22           HA       ALA  22   8.125   3.091  -0.282
  158   1HB   ALA  22          HB1       ALA  22   9.518   2.042   1.177
  159   2HB   ALA  22          HB2       ALA  22   9.481   0.806  -0.080
  160   3HB   ALA  22          HB3       ALA  22   8.463   0.640   1.350
  161    H    CYS  23           HN       CYS  23   6.434  -0.036  -0.348
  162    HA   CYS  23           HA       CYS  23   7.116  -0.767  -2.981
  163   1HB   CYS  23          HB2       CYS  23   5.977  -2.157  -1.107
  164   2HB   CYS  23          HB1       CYS  23   4.477  -1.461  -1.700
  165    H    CYS  24           HN       CYS  24   4.358   0.958  -1.643
  166    HA   CYS  24           HA       CYS  24   2.933   1.325  -4.024
  167   1HB   CYS  24          HB2       CYS  24   2.959   2.966  -1.492
  168   2HB   CYS  24          HB1       CYS  24   1.740   3.086  -2.758
  169    H    LYS  25           HN       LYS  25   5.242   3.512  -2.396
  170    HA   LYS  25           HA       LYS  25   4.965   5.637  -4.196
  171   1HB   LYS  25          HB2       LYS  25   7.260   4.815  -2.431
  172   2HB   LYS  25          HB1       LYS  25   7.310   6.265  -3.425
  173   1HG   LYS  25          HG2       LYS  25   5.300   7.097  -2.275
  174   2HG   LYS  25          HG1       LYS  25   5.321   5.664  -1.246
  175   1HD   LYS  25          HD2       LYS  25   7.529   7.712  -1.441
  176   2HD   LYS  25          HD1       LYS  25   6.335   7.617  -0.146
  177   1HE   LYS  25          HE2       LYS  25   7.148   5.349   0.391
  178   2HE   LYS  25          HE1       LYS  25   8.383   5.519  -0.856
  179   1HZ   LYS  25          HZ1       LYS  25   9.665   6.653   0.532
  180   2HZ   LYS  25          HZ2       LYS  25   8.589   6.267   1.779
  181   3HZ   LYS  25          HZ3       LYS  25   8.418   7.724   0.937
  182    H    LYS  26           HN       LYS  26   7.248   2.898  -4.257
  183    HA   LYS  26           HA       LYS  26   8.547   3.809  -6.616
  184   1HB   LYS  26          HB2       LYS  26   9.651   1.680  -6.692
  185   2HB   LYS  26          HB1       LYS  26   9.578   2.208  -5.018
  186   1HG   LYS  26          HG2       LYS  26   7.711   0.702  -4.614
  187   2HG   LYS  26          HG1       LYS  26   7.760   0.183  -6.301
  188   1HD   LYS  26          HD2       LYS  26  10.126  -0.550  -5.908
  189   2HD   LYS  26          HD1       LYS  26   9.874  -0.219  -4.192
  190   1HE   LYS  26          HE2       LYS  26   9.536  -2.590  -4.732
  191   2HE   LYS  26          HE1       LYS  26   8.064  -1.833  -4.121
  192   1HZ   LYS  26          HZ1       LYS  26   7.480  -3.156  -5.987
  193   2HZ   LYS  26          HZ2       LYS  26   8.707  -2.483  -6.942
  194   3HZ   LYS  26          HZ3       LYS  26   7.383  -1.538  -6.480
  195    H    ALA  27           HN       ALA  27   5.616   2.068  -6.027
  196    HA   ALA  27           HA       ALA  27   5.388   1.161  -8.785
  197   1HB   ALA  27          HB1       ALA  27   2.951   0.866  -7.313
  198   2HB   ALA  27          HB2       ALA  27   4.306   0.312  -6.329
  199   3HB   ALA  27          HB3       ALA  27   4.037  -0.380  -7.929
  200    H    LYS  28           HN       LYS  28   5.256   4.038  -7.552
  201    HA   LYS  28           HA       LYS  28   4.397   6.025  -8.139
  202   1HB   LYS  28          HB2       LYS  28   4.624   5.021 -10.456
  203   2HB   LYS  28          HB1       LYS  28   2.905   4.661 -10.373
  204   1HG   LYS  28          HG2       LYS  28   3.336   6.728 -11.596
  205   2HG   LYS  28          HG1       LYS  28   2.399   7.028 -10.131
  206   1HD   LYS  28          HD2       LYS  28   4.463   7.711  -8.974
  207   2HD   LYS  28          HD1       LYS  28   5.370   7.452 -10.465
  208   1HE   LYS  28          HE2       LYS  28   3.099   9.409 -10.121
  209   2HE   LYS  28          HE1       LYS  28   4.812   9.824 -10.088
  210   1HZ   LYS  28          HZ1       LYS  28   4.870   9.871 -12.291
  211   2HZ   LYS  28          HZ2       LYS  28   3.185   9.721 -12.299
  212   3HZ   LYS  28          HZ3       LYS  28   4.158   8.342 -12.425
  213    H    PHE  29           HN       PHE  29   3.232   5.262  -6.037
  214    HA   PHE  29           HA       PHE  29   0.391   5.911  -6.406
  215   1HB   PHE  29          HB2       PHE  29   1.506   3.774  -4.575
  216   2HB   PHE  29          HB1       PHE  29  -0.079   4.491  -4.336
  217    HD1  PHE  29           HD1      PHE  29   1.957   2.557  -6.762
  218    HD2  PHE  29           HD2      PHE  29  -1.940   3.697  -5.489
  219    HE1  PHE  29           HE1      PHE  29   0.975   0.905  -8.296
  220    HE2  PHE  29           HE2      PHE  29  -2.928   2.047  -7.021
  221    HZ   PHE  29           HZ       PHE  29  -1.470   0.647  -8.427
  222    H    SER  30           HN       SER  30  -0.463   7.241  -4.765
  223    HA   SER  30           HA       SER  30   1.332   9.087  -3.677
  224   1HB   SER  30          HB2       SER  30  -1.524   8.649  -2.804
  225   2HB   SER  30          HB1       SER  30  -0.591  10.143  -2.702
  226    HG   SER  30           HG       SER  30  -0.883  10.496  -4.788
  227    H    ASP  31           HN       ASP  31  -0.502   6.482  -2.079
  228    HA   ASP  31           HA       ASP  31   1.529   6.195  -0.073
  229   1HB   ASP  31          HB2       ASP  31   0.404   8.154   0.855
  230   2HB   ASP  31          HB1       ASP  31  -1.150   7.330   0.763
  231    H    GLY  32           HN       GLY  32   1.370   4.275   1.044
  232   1HA   GLY  32          HA2       GLY  32  -0.806   2.495   0.152
  233   2HA   GLY  32          HA1       GLY  32   0.809   1.961   0.600
  234    H    HIS  33           HN       HIS  33  -1.768   1.065   1.593
  235    HA   HIS  33           HA       HIS  33  -1.228   1.460   4.441
  236   1HB   HIS  33          HB2       HIS  33  -3.581   1.857   4.954
  237   2HB   HIS  33          HB1       HIS  33  -2.979   3.090   3.857
  238    HD1  HIS  33           HD1      HIS  33  -5.247   0.088   3.953
  239    HD2  HIS  33           HD2      HIS  33  -4.241   3.179   1.367
  240    HE1  HIS  33           HE1      HIS  33  -6.900  -0.041   2.065
  241    H    CYS  34           HN       CYS  34  -1.631  -0.286   5.690
  242    HA   CYS  34           HA       CYS  34  -1.870  -2.823   4.436
  243   1HB   CYS  34          HB2       CYS  34  -2.219  -2.228   7.378
  244   2HB   CYS  34          HB1       CYS  34  -1.709  -3.744   6.647
  245    H    SER  35           HN       SER  35  -3.630  -4.192   4.277
  246    HA   SER  35           HA       SER  35  -6.222  -2.963   4.756
  247   1HB   SER  35          HB2       SER  35  -7.078  -4.998   3.514
  248   2HB   SER  35          HB1       SER  35  -6.013  -3.937   2.593
  249    HG   SER  35           HG       SER  35  -4.397  -5.387   2.750
  250    H    LYS  36           HN       LYS  36  -7.994  -4.502   5.530
  251    HA   LYS  36           HA       LYS  36  -7.144  -5.564   8.092
  252   1HB   LYS  36          HB2       LYS  36  -9.082  -4.114   8.075
  253   2HB   LYS  36          HB1       LYS  36  -9.884  -5.137   6.889
  254   1HG   LYS  36          HG2       LYS  36  -9.869  -6.978   8.544
  255   2HG   LYS  36          HG1       LYS  36  -9.223  -5.848   9.737
  256   1HD   LYS  36          HD2       LYS  36 -11.515  -5.828  10.161
  257   2HD   LYS  36          HD1       LYS  36 -11.279  -4.400   9.150
  258   1HE   LYS  36          HE2       LYS  36 -13.230  -5.627   8.407
  259   2HE   LYS  36          HE1       LYS  36 -11.965  -5.706   7.181
  260   1HZ   LYS  36          HZ1       LYS  36 -11.356  -7.910   8.285
  261   2HZ   LYS  36          HZ2       LYS  36 -12.756  -7.874   7.336
  262   3HZ   LYS  36          HZ3       LYS  36 -12.877  -7.830   9.021
  263    H    ILE  37           HN       ILE  37  -8.242  -6.740   5.017
  264    HA   ILE  37           HA       ILE  37  -9.109  -9.296   5.886
  265    HB   ILE  37           HB       ILE  37  -8.136  -8.639   3.123
  266   1HG1  ILE  37          HG12      ILE  37 -10.915  -8.175   4.212
  267   2HG1  ILE  37          HG11      ILE  37  -9.728  -6.900   3.953
  268   1HG2  ILE  37          HG21      ILE  37 -10.071 -10.242   2.580
  269   2HG2  ILE  37          HG22      ILE  37 -10.002 -10.680   4.287
  270   3HG2  ILE  37          HG23      ILE  37  -8.595 -10.932   3.255
  271   1HD1  ILE  37          HD11      ILE  37  -9.763  -8.100   1.518
  272   2HD1  ILE  37          HD12      ILE  37 -10.725  -6.689   1.966
  273   3HD1  ILE  37          HD13      ILE  37 -11.437  -8.302   2.040
  274    H    LEU  38           HN       LEU  38  -6.877  -9.608   3.320
  275    HA   LEU  38           HA       LEU  38  -5.329 -11.528   4.787
  276   1HB   LEU  38          HB2       LEU  38  -5.970 -11.676   2.350
  277   2HB   LEU  38          HB1       LEU  38  -4.778 -10.436   2.035
  278    HG   LEU  38           HG       LEU  38  -3.041 -11.926   3.001
  279   1HD1  LEU  38          HD11      LEU  38  -3.895 -14.438   2.875
  280   2HD1  LEU  38          HD12      LEU  38  -5.408 -13.672   3.359
  281   3HD1  LEU  38          HD13      LEU  38  -3.968 -13.489   4.361
  282   1HD2  LEU  38          HD21      LEU  38  -3.584 -11.743   0.543
  283   2HD2  LEU  38          HD22      LEU  38  -4.494 -13.244   0.719
  284   3HD2  LEU  38          HD23      LEU  38  -2.760 -13.222   1.038
  285    H    ARG  39           HN       ARG  39  -5.258  -8.462   5.159
  286    HA   ARG  39           HA       ARG  39  -3.810  -6.870   5.840
  287   1HB   ARG  39          HB2       ARG  39  -3.129  -8.939   7.247
  288   2HB   ARG  39          HB1       ARG  39  -1.722  -9.001   6.195
  289   1HG   ARG  39          HG2       ARG  39  -1.169  -7.821   8.209
  290   2HG   ARG  39          HG1       ARG  39  -1.165  -6.694   6.852
  291   1HD   ARG  39          HD2       ARG  39  -3.470  -6.014   7.487
  292   2HD   ARG  39          HD1       ARG  39  -3.340  -7.047   8.910
  293    HE   ARG  39           HE       ARG  39  -1.143  -5.294   8.855
  294   1HH1  ARG  39          HH11      ARG  39  -4.610  -5.206   9.312
  295   2HH1  ARG  39          HH12      ARG  39  -4.571  -3.830  10.363
  296   1HH2  ARG  39          HH21      ARG  39  -1.075  -3.471  10.225
  297   2HH2  ARG  39          HH22      ARG  39  -2.546  -2.834  10.885
  298    H    ARG  40           HN       ARG  40  -3.936  -7.591   3.042
  299    HA   ARG  40           HA       ARG  40  -1.344  -7.503   1.862
  300   1HB   ARG  40          HB2       ARG  40  -4.085  -6.854   0.776
  301   2HB   ARG  40          HB1       ARG  40  -2.628  -6.807  -0.202
  302   1HG   ARG  40          HG2       ARG  40  -2.278  -9.195   0.225
  303   2HG   ARG  40          HG1       ARG  40  -3.768  -9.229   1.175
  304   1HD   ARG  40          HD2       ARG  40  -5.063  -8.580  -0.755
  305   2HD   ARG  40          HD1       ARG  40  -3.599  -8.388  -1.715
  306    HE   ARG  40           HE       ARG  40  -3.710 -11.015  -0.745
  307   1HH1  ARG  40          HH11      ARG  40  -5.361  -8.897  -3.006
  308   2HH1  ARG  40          HH12      ARG  40  -5.832 -10.199  -4.061
  309   1HH2  ARG  40          HH21      ARG  40  -4.320 -12.727  -2.146
  310   2HH2  ARG  40          HH22      ARG  40  -5.240 -12.377  -3.571
  311    H    CYS  41           HN       CYS  41  -0.353  -5.740   0.773
  312    HA   CYS  41           HA       CYS  41  -0.731  -3.198   2.096
  313   1HB   CYS  41          HB2       CYS  41   1.538  -3.833   1.762
  314   2HB   CYS  41          HB1       CYS  41   1.256  -4.227   0.071
  315    H    LEU  42           HN       LEU  42  -2.581  -2.227   1.392
  316    HA   LEU  42           HA       LEU  42  -3.208  -2.124  -1.436
  317   1HB   LEU  42          HB2       LEU  42  -4.584  -1.385   1.085
  318   2HB   LEU  42          HB1       LEU  42  -5.030  -0.465  -0.338
  319    HG   LEU  42           HG       LEU  42  -5.577  -2.632  -1.477
  320   1HD1  LEU  42          HD11      LEU  42  -5.803  -4.078   1.052
  321   2HD1  LEU  42          HD12      LEU  42  -4.145  -3.796   0.523
  322   3HD1  LEU  42          HD13      LEU  42  -5.278  -4.636  -0.536
  323   1HD2  LEU  42          HD21      LEU  42  -7.459  -3.020   0.522
  324   2HD2  LEU  42          HD22      LEU  42  -7.598  -1.938  -0.864
  325   3HD2  LEU  42          HD23      LEU  42  -6.997  -1.325   0.677
  326    H    CYS  43           HN       CYS  43  -2.360  -0.676  -2.725
  327    HA   CYS  43           HA       CYS  43  -1.191   1.750  -1.623
  328   1HB   CYS  43          HB2       CYS  43  -1.137   0.583  -4.411
  329   2HB   CYS  43          HB1       CYS  43  -0.272   2.029  -3.905
  330    H    THR  44           HN       THR  44  -2.091   3.699  -1.784
  331    HA   THR  44           HA       THR  44  -4.494   3.976  -3.472
  332    HB   THR  44           HB       THR  44  -4.413   6.056  -1.562
  333    HG1  THR  44           HG1      THR  44  -3.034   4.708  -0.307
  334   1HG2  THR  44          HG21      THR  44  -6.246   3.929  -0.877
  335   2HG2  THR  44          HG22      THR  44  -6.243   4.244  -2.612
  336   3HG2  THR  44          HG23      THR  44  -6.581   5.553  -1.479
  337    H    LYS  45           HN       LYS  45  -4.763   5.855  -4.657
  338    HA   LYS  45           HA       LYS  45  -2.938   8.033  -4.489
  339   1HB   LYS  45          HB2       LYS  45  -1.921   7.877  -6.679
  340   2HB   LYS  45          HB1       LYS  45  -1.501   6.475  -5.712
  341   1HG   LYS  45          HG2       LYS  45  -3.114   5.127  -6.933
  342   2HG   LYS  45          HG1       LYS  45  -3.586   6.542  -7.884
  343   1HD   LYS  45          HD2       LYS  45  -1.391   6.718  -8.827
  344   2HD   LYS  45          HD1       LYS  45  -0.775   5.465  -7.752
  345   1HE   LYS  45          HE2       LYS  45  -2.409   3.891  -8.855
  346   2HE   LYS  45          HE1       LYS  45  -2.693   5.160 -10.049
  347   1HZ   LYS  45          HZ1       LYS  45   0.093   4.701  -9.649
  348   2HZ   LYS  45          HZ2       LYS  45  -0.808   4.652 -11.083
  349   3HZ   LYS  45          HZ3       LYS  45  -0.698   3.275 -10.109
  350    H    GLU  46           HN       GLU  46  -3.284   9.564  -6.368
  351    HA   GLU  46           HA       GLU  46  -6.100  10.047  -6.570
  352   1HB   GLU  46          HB2       GLU  46  -5.286  12.085  -7.854
  353   2HB   GLU  46          HB1       GLU  46  -4.742  11.947  -6.187
  354   1HG   GLU  46          HG2       GLU  46  -2.632  10.894  -7.107
  355   2HG   GLU  46          HG1       GLU  46  -3.180  11.422  -8.696
  356    H    CYS  47           HN       CYS  47  -7.280  10.299  -8.481
  357    HA   CYS  47           HA       CYS  47  -6.329   9.728 -11.067
  358   1HB   CYS  47          HB2       CYS  47  -7.412   7.565 -11.449
  359   2HB   CYS  47          HB1       CYS  47  -6.180   7.424 -10.200
  Start of MODEL   15
    1   1H    ALA   1          HT1       ALA   1  -9.008  15.270  -6.314
    2   2H    ALA   1          HT2       ALA   1 -10.417  15.610  -7.184
    3   3H    ALA   1          HT3       ALA   1  -9.235  14.591  -7.848
    4    HA   ALA   1           HA       ALA   1 -11.091  14.052  -5.625
    5   1HB   ALA   1          HB1       ALA   1 -10.451  12.124  -7.787
    6   2HB   ALA   1          HB2       ALA   1 -11.415  13.540  -8.206
    7   3HB   ALA   1          HB3       ALA   1 -11.978  12.428  -6.958
    8    H    THR   2           HN       THR   2 -10.531  11.255  -5.705
    9    HA   THR   2           HA       THR   2  -7.741  11.002  -4.931
   10    HB   THR   2           HB       THR   2  -9.955  10.287  -2.995
   11    HG1  THR   2           HG1      THR   2  -8.286  12.542  -3.255
   12   1HG2  THR   2          HG21      THR   2  -7.885   8.872  -2.951
   13   2HG2  THR   2          HG22      THR   2  -8.201   9.745  -1.452
   14   3HG2  THR   2          HG23      THR   2  -6.967  10.328  -2.569
   15    H    CYS   3           HN       CYS   3  -7.123   9.350  -6.075
   16    HA   CYS   3           HA       CYS   3  -8.952   7.191  -6.726
   17   1HB   CYS   3          HB2       CYS   3  -6.219   8.000  -7.713
   18   2HB   CYS   3          HB1       CYS   3  -6.940   6.448  -8.145
   19    H    LYS   4           HN       LYS   4  -8.754   5.133  -6.014
   20    HA   LYS   4           HA       LYS   4  -6.495   4.457  -4.260
   21   1HB   LYS   4          HB2       LYS   4  -8.315   5.188  -2.806
   22   2HB   LYS   4          HB1       LYS   4  -9.425   4.083  -3.602
   23   1HG   LYS   4          HG2       LYS   4  -8.020   2.194  -2.808
   24   2HG   LYS   4          HG1       LYS   4  -7.053   3.356  -1.899
   25   1HD   LYS   4          HD2       LYS   4  -8.589   2.507  -0.343
   26   2HD   LYS   4          HD1       LYS   4  -9.242   4.077  -0.809
   27   1HE   LYS   4          HE2       LYS   4 -10.115   1.456  -2.021
   28   2HE   LYS   4          HE1       LYS   4 -10.933   2.233  -0.669
   29   1HZ   LYS   4          HZ1       LYS   4 -10.849   4.223  -2.457
   30   2HZ   LYS   4          HZ2       LYS   4 -12.151   3.158  -2.289
   31   3HZ   LYS   4          HZ3       LYS   4 -10.989   2.888  -3.487
   32    H    ALA   5           HN       ALA   5  -5.675   2.566  -4.685
   33    HA   ALA   5           HA       ALA   5  -7.206   0.294  -5.521
   34   1HB   ALA   5          HB1       ALA   5  -6.816   1.739  -7.637
   35   2HB   ALA   5          HB2       ALA   5  -6.452   0.015  -7.711
   36   3HB   ALA   5          HB3       ALA   5  -5.146   1.184  -7.514
   37    H    GLU   6           HN       GLU   6  -6.036  -1.591  -5.154
   38    HA   GLU   6           HA       GLU   6  -3.830  -1.375  -3.420
   39   1HB   GLU   6          HB2       GLU   6  -4.641  -3.873  -4.899
   40   2HB   GLU   6          HB1       GLU   6  -3.813  -3.750  -3.356
   41   1HG   GLU   6          HG2       GLU   6  -5.831  -2.743  -2.375
   42   2HG   GLU   6          HG1       GLU   6  -6.662  -2.970  -3.914
   43    H    CYS   7           HN       CYS   7  -1.702  -1.798  -3.701
   44    HA   CYS   7           HA       CYS   7  -0.506  -1.040  -6.114
   45   1HB   CYS   7          HB2       CYS   7   0.575  -0.963  -3.843
   46   2HB   CYS   7          HB1       CYS   7   0.784  -2.708  -3.941
   47    HA   PRO   8           HA       PRO   8  -1.075  -4.703  -8.573
   48   1HB   PRO   8          HB2       PRO   8   1.267  -3.622 -10.046
   49   2HB   PRO   8          HB1       PRO   8  -0.334  -4.066 -10.647
   50   1HG   PRO   8          HG2       PRO   8   0.364  -1.506 -10.385
   51   2HG   PRO   8          HG1       PRO   8  -1.281  -2.050 -10.005
   52   1HD   PRO   8          HD2       PRO   8   0.968  -1.370  -8.156
   53   2HD   PRO   8          HD1       PRO   8  -0.769  -1.040  -7.989
   54    H    THR   9           HN       THR   9   2.186  -3.676  -7.648
   55    HA   THR   9           HA       THR   9   3.197  -6.383  -7.844
   56    HB   THR   9           HB       THR   9   5.310  -5.193  -6.898
   57    HG1  THR   9           HG1      THR   9   4.153  -3.268  -6.285
   58   1HG2  THR   9          HG21      THR   9   5.081  -3.939  -9.432
   59   2HG2  THR   9          HG22      THR   9   4.215  -5.473  -9.515
   60   3HG2  THR   9          HG23      THR   9   5.910  -5.442  -9.029
   61    H    TRP  10           HN       TRP  10   1.217  -6.444  -6.028
   62    HA   TRP  10           HA       TRP  10   2.680  -6.854  -3.524
   63   1HB   TRP  10          HB2       TRP  10   1.450  -4.639  -3.478
   64   2HB   TRP  10          HB1       TRP  10  -0.048  -5.554  -3.603
   65    HD1  TRP  10           HD1      TRP  10  -0.969  -6.678  -1.424
   66    HE1  TRP  10           HE1      TRP  10  -0.246  -6.612   1.051
   67    HE3  TRP  10           HE3      TRP  10   3.605  -4.477  -1.982
   68    HZ2  TRP  10           HZ2      TRP  10   1.986  -5.723   2.568
   69    HZ3  TRP  10           HZ3      TRP  10   4.963  -4.045   0.021
   70    HH2  TRP  10           HH2      TRP  10   4.168  -4.658   2.244
   71    H    ASP  11           HN       ASP  11   2.449  -8.914  -3.032
   72    HA   ASP  11           HA       ASP  11  -0.184 -10.177  -3.212
   73   1HB   ASP  11          HB2       ASP  11   0.699 -12.143  -4.333
   74   2HB   ASP  11          HB1       ASP  11   1.060 -10.724  -5.311
   75    H    SER  12           HN       SER  12   1.531  -9.171  -1.065
   76    HA   SER  12           HA       SER  12   1.821 -11.684   0.429
   77   1HB   SER  12          HB2       SER  12   3.710  -9.321   0.538
   78   2HB   SER  12          HB1       SER  12   3.812 -10.761   1.551
   79    HG   SER  12           HG       SER  12   3.696 -11.255  -1.166
   80    H    VAL  13           HN       VAL  13   1.813 -11.341   2.808
   81    HA   VAL  13           HA       VAL  13  -0.384  -9.631   3.524
   82    HB   VAL  13           HB       VAL  13   1.357 -11.366   5.293
   83   1HG1  VAL  13          HG11      VAL  13   0.331 -10.094   6.864
   84   2HG1  VAL  13          HG12      VAL  13  -0.976 -11.246   6.588
   85   3HG1  VAL  13          HG13      VAL  13  -1.011  -9.667   5.803
   86   1HG2  VAL  13          HG21      VAL  13  -0.686 -12.882   5.199
   87   2HG2  VAL  13          HG22      VAL  13   0.332 -12.824   3.760
   88   3HG2  VAL  13          HG23      VAL  13  -1.189 -11.932   3.801
   89    H    CYS  14           HN       CYS  14  -0.232  -7.630   4.255
   90    HA   CYS  14           HA       CYS  14   2.292  -6.352   4.576
   91   1HB   CYS  14          HB2       CYS  14   0.537  -5.046   3.659
   92   2HB   CYS  14          HB1       CYS  14  -0.551  -5.443   4.984
   93    H    ILE  15           HN       ILE  15   3.481  -6.177   6.318
   94    HA   ILE  15           HA       ILE  15   2.339  -6.887   8.925
   95    HB   ILE  15           HB       ILE  15   5.253  -6.659   8.133
   96   1HG1  ILE  15          HG12      ILE  15   4.166  -8.483   6.916
   97   2HG1  ILE  15          HG11      ILE  15   5.264  -9.122   8.134
   98   1HG2  ILE  15          HG21      ILE  15   5.827  -7.513  10.216
   99   2HG2  ILE  15          HG22      ILE  15   4.201  -8.123  10.525
  100   3HG2  ILE  15          HG23      ILE  15   4.520  -6.390  10.592
  101   1HD1  ILE  15          HD11      ILE  15   3.352  -9.556   9.605
  102   2HD1  ILE  15          HD12      ILE  15   3.218 -10.405   8.066
  103   3HD1  ILE  15          HD13      ILE  15   2.267  -8.948   8.355
  104    H    ASN  16           HN       ASN  16   3.703  -4.304   7.092
  105    HA   ASN  16           HA       ASN  16   3.160  -2.428   9.234
  106   1HB   ASN  16          HB2       ASN  16   5.545  -3.179   9.542
  107   2HB   ASN  16          HB1       ASN  16   5.903  -2.528   7.948
  108   1HD2  ASN  16          HD21      ASN  16   5.790  -1.893  11.220
  109   2HD2  ASN  16          HD22      ASN  16   5.947  -0.173  11.160
  110    H    LYS  17           HN       LYS  17   3.062  -0.227   8.460
  111    HA   LYS  17           HA       LYS  17   1.875   0.026   5.923
  112   1HB   LYS  17          HB2       LYS  17   1.517   1.488   7.966
  113   2HB   LYS  17          HB1       LYS  17   3.031   2.281   7.562
  114   1HG   LYS  17          HG2       LYS  17   2.081   2.931   5.383
  115   2HG   LYS  17          HG1       LYS  17   0.549   2.192   5.856
  116   1HD   LYS  17          HD2       LYS  17   0.520   3.727   7.837
  117   2HD   LYS  17          HD1       LYS  17   1.927   4.541   7.153
  118   1HE   LYS  17          HE2       LYS  17  -0.783   4.277   5.852
  119   2HE   LYS  17          HE1       LYS  17  -0.137   5.729   6.614
  120   1HZ   LYS  17          HZ1       LYS  17   0.242   6.043   4.352
  121   2HZ   LYS  17          HZ2       LYS  17   0.715   4.436   4.099
  122   3HZ   LYS  17          HZ3       LYS  17   1.741   5.497   4.923
  123    H    LYS  18           HN       LYS  18   5.166   0.469   7.023
  124    HA   LYS  18           HA       LYS  18   6.291   2.061   5.098
  125   1HB   LYS  18          HB2       LYS  18   7.461   1.149   7.081
  126   2HB   LYS  18          HB1       LYS  18   7.555  -0.414   6.287
  127   1HG   LYS  18          HG2       LYS  18   9.664   0.655   6.063
  128   2HG   LYS  18          HG1       LYS  18   8.887   0.663   4.478
  129   1HD   LYS  18          HD2       LYS  18   8.281   2.968   4.714
  130   2HD   LYS  18          HD1       LYS  18   8.810   2.986   6.398
  131   1HE   LYS  18          HE2       LYS  18  10.589   2.547   4.001
  132   2HE   LYS  18          HE1       LYS  18  10.444   4.053   4.907
  133   1HZ   LYS  18          HZ1       LYS  18  12.361   2.925   5.688
  134   2HZ   LYS  18          HZ2       LYS  18  11.526   1.467   5.879
  135   3HZ   LYS  18          HZ3       LYS  18  11.188   2.774   6.898
  136    HA   PRO  19           HA       PRO  19   7.207  -1.898   2.207
  137   1HB   PRO  19          HB2       PRO  19   4.792  -3.397   3.161
  138   2HB   PRO  19          HB1       PRO  19   6.308  -4.033   2.519
  139   1HG   PRO  19          HG2       PRO  19   5.888  -4.097   5.111
  140   2HG   PRO  19          HG1       PRO  19   7.472  -3.572   4.504
  141   1HD   PRO  19          HD2       PRO  19   5.217  -1.932   5.586
  142   2HD   PRO  19          HD1       PRO  19   6.966  -1.733   5.814
  143    H    CYS  20           HN       CYS  20   3.860  -1.210   3.162
  144    HA   CYS  20           HA       CYS  20   2.721  -1.378   0.603
  145   1HB   CYS  20          HB2       CYS  20   1.462  -1.434   2.755
  146   2HB   CYS  20          HB1       CYS  20   1.767   0.288   2.941
  147    H    VAL  21           HN       VAL  21   3.799   1.470   2.466
  148    HA   VAL  21           HA       VAL  21   3.163   3.418   0.558
  149    HB   VAL  21           HB       VAL  21   5.478   3.481   2.511
  150   1HG1  VAL  21          HG11      VAL  21   5.859   5.596   1.914
  151   2HG1  VAL  21          HG12      VAL  21   4.140   5.991   1.925
  152   3HG1  VAL  21          HG13      VAL  21   4.869   5.266   0.492
  153   1HG2  VAL  21          HG21      VAL  21   2.654   3.462   2.961
  154   2HG2  VAL  21          HG22      VAL  21   3.314   5.029   3.429
  155   3HG2  VAL  21          HG23      VAL  21   3.968   3.550   4.134
  156    H    ALA  22           HN       ALA  22   6.034   1.398   0.926
  157    HA   ALA  22           HA       ALA  22   7.636   2.658  -1.021
  158   1HB   ALA  22          HB1       ALA  22   8.682   0.282  -1.150
  159   2HB   ALA  22          HB2       ALA  22   7.607  -0.070   0.203
  160   3HB   ALA  22          HB3       ALA  22   8.813   1.209   0.345
  161    H    CYS  23           HN       CYS  23   5.410  -0.097  -1.231
  162    HA   CYS  23           HA       CYS  23   5.758  -0.641  -3.973
  163   1HB   CYS  23          HB2       CYS  23   4.574  -2.033  -2.137
  164   2HB   CYS  23          HB1       CYS  23   3.162  -1.053  -2.499
  165    H    CYS  24           HN       CYS  24   3.372   1.307  -2.240
  166    HA   CYS  24           HA       CYS  24   1.871   2.122  -4.443
  167   1HB   CYS  24          HB2       CYS  24   2.360   3.441  -1.779
  168   2HB   CYS  24          HB1       CYS  24   1.171   4.016  -2.942
  169    H    LYS  25           HN       LYS  25   4.713   3.678  -2.957
  170    HA   LYS  25           HA       LYS  25   4.627   5.947  -4.635
  171   1HB   LYS  25          HB2       LYS  25   6.849   4.718  -3.024
  172   2HB   LYS  25          HB1       LYS  25   7.086   6.167  -3.994
  173   1HG   LYS  25          HG2       LYS  25   5.224   7.237  -2.734
  174   2HG   LYS  25          HG1       LYS  25   5.184   5.816  -1.688
  175   1HD   LYS  25          HD2       LYS  25   7.580   7.600  -2.107
  176   2HD   LYS  25          HD1       LYS  25   6.486   7.677  -0.724
  177   1HE   LYS  25          HE2       LYS  25   7.076   5.385  -0.125
  178   2HE   LYS  25          HE1       LYS  25   8.154   5.293  -1.518
  179   1HZ   LYS  25          HZ1       LYS  25   9.605   5.845   0.143
  180   2HZ   LYS  25          HZ2       LYS  25   8.481   6.788   0.986
  181   3HZ   LYS  25          HZ3       LYS  25   9.202   7.388  -0.421
  182    H    LYS  26           HN       LYS  26   6.294   2.816  -4.978
  183    HA   LYS  26           HA       LYS  26   7.606   3.612  -7.392
  184   1HB   LYS  26          HB2       LYS  26   8.181   1.275  -7.714
  185   2HB   LYS  26          HB1       LYS  26   8.483   1.746  -6.049
  186   1HG   LYS  26          HG2       LYS  26   6.950   0.323  -5.229
  187   2HG   LYS  26          HG1       LYS  26   5.840   0.569  -6.577
  188   1HD   LYS  26          HD2       LYS  26   8.395  -0.902  -7.044
  189   2HD   LYS  26          HD1       LYS  26   7.061  -1.731  -6.242
  190   1HE   LYS  26          HE2       LYS  26   6.967  -2.160  -8.617
  191   2HE   LYS  26          HE1       LYS  26   5.597  -1.161  -8.143
  192   1HZ   LYS  26          HZ1       LYS  26   8.042   0.122  -9.155
  193   2HZ   LYS  26          HZ2       LYS  26   6.442   0.670  -9.221
  194   3HZ   LYS  26          HZ3       LYS  26   6.956  -0.573 -10.248
  195    H    ALA  27           HN       ALA  27   4.428   2.726  -6.618
  196    HA   ALA  27           HA       ALA  27   3.767   1.923  -9.353
  197   1HB   ALA  27          HB1       ALA  27   2.035   0.809  -8.474
  198   2HB   ALA  27          HB2       ALA  27   1.536   2.189  -7.496
  199   3HB   ALA  27          HB3       ALA  27   2.795   1.102  -6.910
  200    H    LYS  28           HN       LYS  28   4.345   4.691  -7.877
  201    HA   LYS  28           HA       LYS  28   3.956   6.860  -8.337
  202   1HB   LYS  28          HB2       LYS  28   3.804   5.974 -10.711
  203   2HB   LYS  28          HB1       LYS  28   2.058   6.006 -10.517
  204   1HG   LYS  28          HG2       LYS  28   2.053   8.374 -10.259
  205   2HG   LYS  28          HG1       LYS  28   3.815   8.423 -10.162
  206   1HD   LYS  28          HD2       LYS  28   2.223   7.541 -12.572
  207   2HD   LYS  28          HD1       LYS  28   2.975   9.125 -12.372
  208   1HE   LYS  28          HE2       LYS  28   5.175   8.059 -12.221
  209   2HE   LYS  28          HE1       LYS  28   4.423   6.477 -12.414
  210   1HZ   LYS  28          HZ1       LYS  28   3.509   7.507 -14.584
  211   2HZ   LYS  28          HZ2       LYS  28   5.111   6.966 -14.539
  212   3HZ   LYS  28          HZ3       LYS  28   4.773   8.618 -14.403
  213    H    PHE  29           HN       PHE  29   2.774   6.167  -6.197
  214    HA   PHE  29           HA       PHE  29   0.127   7.444  -6.282
  215   1HB   PHE  29          HB2       PHE  29   0.879   4.922  -4.802
  216   2HB   PHE  29          HB1       PHE  29  -0.466   5.927  -4.283
  217    HD1  PHE  29           HD1      PHE  29  -2.568   5.645  -5.214
  218    HD2  PHE  29           HD2      PHE  29   0.822   4.020  -7.205
  219    HE1  PHE  29           HE1      PHE  29  -4.057   4.462  -6.774
  220    HE2  PHE  29           HE2      PHE  29  -0.661   2.839  -8.772
  221    HZ   PHE  29           HZ       PHE  29  -3.104   3.058  -8.558
  222    H    SER  30           HN       SER  30  -0.352   8.722  -4.445
  223    HA   SER  30           HA       SER  30   1.823  10.080  -3.336
  224   1HB   SER  30          HB2       SER  30  -0.996  10.046  -2.254
  225   2HB   SER  30          HB1       SER  30   0.200  11.330  -2.079
  226    HG   SER  30           HG       SER  30  -0.292  12.044  -4.001
  227    H    ASP  31           HN       ASP  31  -0.374   7.714  -1.836
  228    HA   ASP  31           HA       ASP  31   1.712   6.833  -0.059
  229   1HB   ASP  31          HB2       ASP  31   0.945   8.792   1.191
  230   2HB   ASP  31          HB1       ASP  31  -0.718   8.219   1.105
  231    H    GLY  32           HN       GLY  32   1.186   4.898   1.039
  232   1HA   GLY  32          HA2       GLY  32  -1.251   3.599  -0.007
  233   2HA   GLY  32          HA1       GLY  32   0.282   2.762   0.182
  234    H    HIS  33           HN       HIS  33  -2.402   2.238   1.288
  235    HA   HIS  33           HA       HIS  33  -1.563   2.037   4.090
  236   1HB   HIS  33          HB2       HIS  33  -3.803   2.574   4.876
  237   2HB   HIS  33          HB1       HIS  33  -3.152   3.900   3.931
  238    HD1  HIS  33           HD1      HIS  33  -5.830   1.300   3.922
  239    HD2  HIS  33           HD2      HIS  33  -4.511   4.395   1.487
  240    HE1  HIS  33           HE1      HIS  33  -7.631   1.624   2.201
  241    H    CYS  34           HN       CYS  34  -1.752   0.098   4.879
  242    HA   CYS  34           HA       CYS  34  -2.679  -2.057   3.243
  243   1HB   CYS  34          HB2       CYS  34  -1.790  -2.078   6.134
  244   2HB   CYS  34          HB1       CYS  34  -1.964  -3.488   5.092
  245    H    SER  35           HN       SER  35  -4.491  -3.338   3.502
  246    HA   SER  35           HA       SER  35  -6.683  -2.104   4.879
  247   1HB   SER  35          HB2       SER  35  -7.948  -4.142   4.016
  248   2HB   SER  35          HB1       SER  35  -7.231  -3.095   2.792
  249    HG   SER  35           HG       SER  35  -5.908  -4.634   2.232
  250    H    LYS  36           HN       LYS  36  -8.109  -4.395   5.760
  251    HA   LYS  36           HA       LYS  36  -6.513  -5.054   8.137
  252   1HB   LYS  36          HB2       LYS  36  -8.530  -3.780   8.620
  253   2HB   LYS  36          HB1       LYS  36  -9.512  -4.977   7.787
  254   1HG   LYS  36          HG2       LYS  36  -8.824  -6.658   9.452
  255   2HG   LYS  36          HG1       LYS  36  -7.926  -5.405  10.310
  256   1HD   LYS  36          HD2       LYS  36 -10.898  -5.353   9.777
  257   2HD   LYS  36          HD1       LYS  36 -10.152  -5.842  11.298
  258   1HE   LYS  36          HE2       LYS  36  -9.155  -3.606  11.510
  259   2HE   LYS  36          HE1       LYS  36  -9.935  -3.125  10.004
  260   1HZ   LYS  36          HZ1       LYS  36 -10.986  -2.891  12.515
  261   2HZ   LYS  36          HZ2       LYS  36 -11.794  -4.230  11.871
  262   3HZ   LYS  36          HZ3       LYS  36 -11.838  -2.746  11.060
  263    H    ILE  37           HN       ILE  37  -8.786  -6.477   5.819
  264    HA   ILE  37           HA       ILE  37  -8.835  -9.061   6.862
  265    HB   ILE  37           HB       ILE  37  -9.140  -8.339   3.949
  266   1HG1  ILE  37          HG12      ILE  37 -11.239  -8.365   6.130
  267   2HG1  ILE  37          HG11      ILE  37 -10.540  -6.912   5.425
  268   1HG2  ILE  37          HG21      ILE  37 -10.121 -10.652   5.613
  269   2HG2  ILE  37          HG22      ILE  37  -9.024 -10.706   4.233
  270   3HG2  ILE  37          HG23      ILE  37 -10.721 -10.289   3.995
  271   1HD1  ILE  37          HD11      ILE  37 -12.062  -6.948   3.826
  272   2HD1  ILE  37          HD12      ILE  37 -12.779  -8.386   4.553
  273   3HD1  ILE  37          HD13      ILE  37 -11.526  -8.551   3.322
  274    H    LEU  38           HN       LEU  38  -7.485  -8.731   3.626
  275    HA   LEU  38           HA       LEU  38  -5.480 -10.717   4.292
  276   1HB   LEU  38          HB2       LEU  38  -6.860 -10.751   2.188
  277   2HB   LEU  38          HB1       LEU  38  -5.956  -9.353   1.647
  278    HG   LEU  38           HG       LEU  38  -3.873 -10.686   1.801
  279   1HD1  LEU  38          HD11      LEU  38  -5.706 -13.049   2.165
  280   2HD1  LEU  38          HD12      LEU  38  -4.751 -12.323   3.458
  281   3HD1  LEU  38          HD13      LEU  38  -3.944 -13.062   2.075
  282   1HD2  LEU  38          HD21      LEU  38  -5.215 -12.417  -0.023
  283   2HD2  LEU  38          HD22      LEU  38  -4.186 -11.027  -0.369
  284   3HD2  LEU  38          HD23      LEU  38  -5.921 -10.805  -0.143
  285    H    ARG  39           HN       ARG  39  -5.545  -7.604   4.821
  286    HA   ARG  39           HA       ARG  39  -4.043  -5.935   5.131
  287   1HB   ARG  39          HB2       ARG  39  -2.122  -8.252   4.940
  288   2HB   ARG  39          HB1       ARG  39  -1.616  -6.613   5.317
  289   1HG   ARG  39          HG2       ARG  39  -3.485  -8.324   6.932
  290   2HG   ARG  39          HG1       ARG  39  -1.816  -7.906   7.328
  291   1HD   ARG  39          HD2       ARG  39  -2.469  -5.523   7.387
  292   2HD   ARG  39          HD1       ARG  39  -4.141  -6.000   7.098
  293    HE   ARG  39           HE       ARG  39  -3.192  -7.388   9.336
  294   1HH1  ARG  39          HH11      ARG  39  -4.078  -4.153   8.349
  295   2HH1  ARG  39          HH12      ARG  39  -4.417  -3.612   9.961
  296   1HH2  ARG  39          HH21      ARG  39  -3.667  -6.696  11.466
  297   2HH2  ARG  39          HH22      ARG  39  -4.190  -5.069  11.740
  298    H    ARG  40           HN       ARG  40  -4.978  -6.571   2.488
  299    HA   ARG  40           HA       ARG  40  -2.960  -6.389   0.542
  300   1HB   ARG  40          HB2       ARG  40  -5.880  -5.649   0.552
  301   2HB   ARG  40          HB1       ARG  40  -4.873  -5.428  -0.873
  302   1HG   ARG  40          HG2       ARG  40  -4.450  -7.764  -1.034
  303   2HG   ARG  40          HG1       ARG  40  -5.196  -8.065   0.536
  304   1HD   ARG  40          HD2       ARG  40  -7.357  -7.606  -0.291
  305   2HD   ARG  40          HD1       ARG  40  -6.722  -6.868  -1.761
  306    HE   ARG  40           HE       ARG  40  -7.162  -9.659  -1.273
  307   1HH1  ARG  40          HH11      ARG  40  -5.453  -7.292  -3.212
  308   2HH1  ARG  40          HH12      ARG  40  -4.986  -8.450  -4.427
  309   1HH2  ARG  40          HH21      ARG  40  -6.565 -11.178  -2.889
  310   2HH2  ARG  40          HH22      ARG  40  -5.627 -10.653  -4.246
  311    H    CYS  41           HN       CYS  41  -1.879  -4.707  -0.310
  312    HA   CYS  41           HA       CYS  41  -1.813  -2.264   1.180
  313   1HB   CYS  41          HB2       CYS  41   0.252  -3.244   0.400
  314   2HB   CYS  41          HB1       CYS  41  -0.304  -3.186  -1.268
  315    H    LEU  42           HN       LEU  42  -3.729  -1.149   0.840
  316    HA   LEU  42           HA       LEU  42  -4.610  -0.549  -1.854
  317   1HB   LEU  42          HB2       LEU  42  -5.571   0.082   0.903
  318   2HB   LEU  42          HB1       LEU  42  -6.109   1.110  -0.410
  319    HG   LEU  42           HG       LEU  42  -6.972  -0.980  -1.547
  320   1HD1  LEU  42          HD11      LEU  42  -7.358  -2.589   0.724
  321   2HD1  LEU  42          HD12      LEU  42  -5.637  -2.205   0.666
  322   3HD1  LEU  42          HD13      LEU  42  -6.419  -2.960  -0.723
  323   1HD2  LEU  42          HD21      LEU  42  -8.040   0.508   0.651
  324   2HD2  LEU  42          HD22      LEU  42  -8.637  -1.150   0.708
  325   3HD2  LEU  42          HD23      LEU  42  -8.874  -0.176  -0.743
  326    H    CYS  43           HN       CYS  43  -3.702   1.012  -3.032
  327    HA   CYS  43           HA       CYS  43  -2.121   3.055  -1.689
  328   1HB   CYS  43          HB2       CYS  43  -2.405   2.398  -4.626
  329   2HB   CYS  43          HB1       CYS  43  -1.301   3.588  -3.950
  330    H    THR  44           HN       THR  44  -2.510   5.221  -1.820
  331    HA   THR  44           HA       THR  44  -5.003   6.054  -3.141
  332    HB   THR  44           HB       THR  44  -4.993   7.755  -1.080
  333    HG1  THR  44           HG1      THR  44  -3.089   6.468  -0.247
  334   1HG2  THR  44          HG21      THR  44  -6.097   4.962  -0.805
  335   2HG2  THR  44          HG22      THR  44  -6.817   6.208  -1.825
  336   3HG2  THR  44          HG23      THR  44  -6.726   6.441  -0.079
  337    H    LYS  45           HN       LYS  45  -4.973   8.022  -4.121
  338    HA   LYS  45           HA       LYS  45  -2.888   9.933  -3.668
  339   1HB   LYS  45          HB2       LYS  45  -1.874   9.887  -5.858
  340   2HB   LYS  45          HB1       LYS  45  -1.706   8.307  -5.111
  341   1HG   LYS  45          HG2       LYS  45  -3.521   7.444  -6.472
  342   2HG   LYS  45          HG1       LYS  45  -3.757   9.041  -7.191
  343   1HD   LYS  45          HD2       LYS  45  -1.544   8.980  -8.153
  344   2HD   LYS  45          HD1       LYS  45  -1.200   7.451  -7.344
  345   1HE   LYS  45          HE2       LYS  45  -3.092   6.443  -8.631
  346   2HE   LYS  45          HE1       LYS  45  -3.204   7.953  -9.536
  347   1HZ   LYS  45          HZ1       LYS  45  -0.530   6.942  -9.446
  348   2HZ   LYS  45          HZ2       LYS  45  -1.472   7.384 -10.784
  349   3HZ   LYS  45          HZ3       LYS  45  -1.601   5.827 -10.139
  350    H    GLU  46           HN       GLU  46  -3.128  11.824  -5.088
  351    HA   GLU  46           HA       GLU  46  -5.912  12.450  -5.408
  352   1HB   GLU  46          HB2       GLU  46  -4.913  14.676  -6.206
  353   2HB   GLU  46          HB1       GLU  46  -4.624  14.210  -4.535
  354   1HG   GLU  46          HG2       GLU  46  -2.409  13.291  -5.286
  355   2HG   GLU  46          HG1       GLU  46  -2.710  14.052  -6.847
  356    H    CYS  47           HN       CYS  47  -6.962  12.989  -7.330
  357    HA   CYS  47           HA       CYS  47  -5.637  12.803  -9.863
  358   1HB   CYS  47          HB2       CYS  47  -7.032  10.915 -10.699
  359   2HB   CYS  47          HB1       CYS  47  -5.868  10.431  -9.472
  Start of MODEL   16
    1   1H    ALA   1          HT1       ALA   1 -10.340   9.359  -8.996
    2   2H    ALA   1          HT2       ALA   1 -10.453  11.045  -8.971
    3   3H    ALA   1          HT3       ALA   1 -10.009  10.209  -7.570
    4    HA   ALA   1           HA       ALA   1  -8.348   9.680  -9.843
    5   1HB   ALA   1          HB1       ALA   1  -7.573  11.734 -10.317
    6   2HB   ALA   1          HB2       ALA   1  -7.639  12.252  -8.632
    7   3HB   ALA   1          HB3       ALA   1  -9.097  12.289  -9.624
    8    H    THR   2           HN       THR   2  -8.834   8.399  -7.380
    9    HA   THR   2           HA       THR   2  -6.170   8.471  -6.250
   10    HB   THR   2           HB       THR   2  -8.504   8.721  -4.348
   11    HG1  THR   2           HG1      THR   2  -6.906  10.766  -5.521
   12   1HG2  THR   2          HG21      THR   2  -6.050   9.776  -3.368
   13   2HG2  THR   2          HG22      THR   2  -5.725   8.188  -4.063
   14   3HG2  THR   2          HG23      THR   2  -6.942   8.366  -2.799
   15    H    CYS   3           HN       CYS   3  -6.042   6.370  -7.125
   16    HA   CYS   3           HA       CYS   3  -7.980   4.402  -6.247
   17   1HB   CYS   3          HB2       CYS   3  -5.708   4.360  -8.207
   18   2HB   CYS   3          HB1       CYS   3  -6.504   2.868  -7.693
   19    H    LYS   4           HN       LYS   4  -7.593   2.645  -5.009
   20    HA   LYS   4           HA       LYS   4  -5.011   2.518  -3.607
   21   1HB   LYS   4          HB2       LYS   4  -7.731   2.114  -2.339
   22   2HB   LYS   4          HB1       LYS   4  -6.179   1.981  -1.527
   23   1HG   LYS   4          HG2       LYS   4  -5.786   4.379  -1.983
   24   2HG   LYS   4          HG1       LYS   4  -7.408   4.476  -2.670
   25   1HD   LYS   4          HD2       LYS   4  -6.760   3.634   0.154
   26   2HD   LYS   4          HD1       LYS   4  -7.321   5.237  -0.325
   27   1HE   LYS   4          HE2       LYS   4  -8.833   2.651  -0.697
   28   2HE   LYS   4          HE1       LYS   4  -9.153   3.861   0.545
   29   1HZ   LYS   4          HZ1       LYS   4  -9.130   4.913  -2.140
   30   2HZ   LYS   4          HZ2       LYS   4 -10.251   5.149  -0.895
   31   3HZ   LYS   4          HZ3       LYS   4 -10.348   3.770  -1.869
   32    H    ALA   5           HN       ALA   5  -4.196   0.537  -3.356
   33    HA   ALA   5           HA       ALA   5  -5.740  -1.866  -3.431
   34   1HB   ALA   5          HB1       ALA   5  -4.429  -2.758  -5.453
   35   2HB   ALA   5          HB2       ALA   5  -4.130  -1.064  -5.843
   36   3HB   ALA   5          HB3       ALA   5  -5.783  -1.674  -5.776
   37    H    GLU   6           HN       GLU   6  -4.645  -3.356  -2.250
   38    HA   GLU   6           HA       GLU   6  -2.228  -2.635  -1.024
   39   1HB   GLU   6          HB2       GLU   6  -3.452  -5.398  -1.165
   40   2HB   GLU   6          HB1       GLU   6  -2.180  -4.891  -0.071
   41   1HG   GLU   6          HG2       GLU   6  -4.102  -4.838   1.224
   42   2HG   GLU   6          HG1       GLU   6  -3.829  -3.153   0.785
   43    H    CYS   7           HN       CYS   7  -0.191  -3.229  -1.279
   44    HA   CYS   7           HA       CYS   7   0.921  -3.588  -3.771
   45   1HB   CYS   7          HB2       CYS   7   2.479  -2.912  -2.225
   46   2HB   CYS   7          HB1       CYS   7   1.843  -3.960  -0.966
   47    HA   PRO   8           HA       PRO   8  -0.324  -7.730  -4.863
   48   1HB   PRO   8          HB2       PRO   8   1.728  -8.067  -6.735
   49   2HB   PRO   8          HB1       PRO   8   0.126  -7.401  -7.059
   50   1HG   PRO   8          HG2       PRO   8   2.703  -5.988  -6.560
   51   2HG   PRO   8          HG1       PRO   8   1.377  -5.557  -7.655
   52   1HD   PRO   8          HD2       PRO   8   1.733  -4.276  -5.333
   53   2HD   PRO   8          HD1       PRO   8   0.103  -4.632  -5.946
   54    H    THR   9           HN       THR   9   3.107  -6.992  -4.390
   55    HA   THR   9           HA       THR   9   3.641  -9.732  -3.590
   56    HB   THR   9           HB       THR   9   6.008  -8.625  -3.234
   57    HG1  THR   9           HG1      THR   9   5.248  -6.470  -3.546
   58   1HG2  THR   9          HG21      THR   9   5.764 -10.267  -4.903
   59   2HG2  THR   9          HG22      THR   9   6.380  -8.853  -5.758
   60   3HG2  THR   9          HG23      THR   9   4.667  -9.263  -5.850
   61    H    TRP  10           HN       TRP  10   1.859  -8.394  -1.875
   62    HA   TRP  10           HA       TRP  10   3.473  -8.358   0.569
   63   1HB   TRP  10          HB2       TRP  10   2.990  -5.996  -0.261
   64   2HB   TRP  10          HB1       TRP  10   1.296  -6.325   0.092
   65    HD1  TRP  10           HD1      TRP  10   0.659  -6.712   2.715
   66    HE1  TRP  10           HE1      TRP  10   1.796  -5.822   4.857
   67    HE3  TRP  10           HE3      TRP  10   5.154  -5.323   0.714
   68    HZ2  TRP  10           HZ2      TRP  10   4.288  -4.662   5.584
   69    HZ3  TRP  10           HZ3      TRP  10   6.845  -4.325   2.191
   70    HH2  TRP  10           HH2      TRP  10   6.417  -4.003   4.571
   71    H    ASP  11           HN       ASP  11   2.689  -9.850   1.847
   72    HA   ASP  11           HA       ASP  11  -0.139  -9.952   2.421
   73   1HB   ASP  11          HB2       ASP  11   0.534 -11.620   0.459
   74   2HB   ASP  11          HB1       ASP  11   1.078 -12.612   1.811
   75    H    SER  12           HN       SER  12   1.543  -8.963   4.063
   76    HA   SER  12           HA       SER  12   1.709 -10.869   6.225
   77   1HB   SER  12          HB2       SER  12   4.192  -9.456   5.208
   78   2HB   SER  12          HB1       SER  12   4.096 -10.428   6.676
   79    HG   SER  12           HG       SER  12   3.136 -11.873   4.654
   80    H    VAL  13           HN       VAL  13   2.814  -9.609   8.172
   81    HA   VAL  13           HA       VAL  13   1.163  -7.305   8.600
   82    HB   VAL  13           HB       VAL  13   3.267  -8.577  10.364
   83   1HG1  VAL  13          HG11      VAL  13   2.804  -6.176  10.875
   84   2HG1  VAL  13          HG12      VAL  13   2.403  -7.290  12.182
   85   3HG1  VAL  13          HG13      VAL  13   1.123  -6.620  11.171
   86   1HG2  VAL  13          HG21      VAL  13   0.971  -9.158  11.578
   87   2HG2  VAL  13          HG22      VAL  13   1.671 -10.194  10.334
   88   3HG2  VAL  13          HG23      VAL  13   0.378  -9.068   9.920
   89    H    CYS  14           HN       CYS  14   1.679  -5.279   8.243
   90    HA   CYS  14           HA       CYS  14   4.233  -4.488   7.250
   91   1HB   CYS  14          HB2       CYS  14   1.819  -3.511   6.818
   92   2HB   CYS  14          HB1       CYS  14   2.185  -2.528   8.228
   93    H    ILE  15           HN       ILE  15   5.948  -3.913   8.411
   94    HA   ILE  15           HA       ILE  15   5.623  -3.429  11.279
   95    HB   ILE  15           HB       ILE  15   8.175  -3.924   9.731
   96   1HG1  ILE  15          HG12      ILE  15   6.532  -5.861  11.380
   97   2HG1  ILE  15          HG11      ILE  15   6.597  -5.839   9.621
   98   1HG2  ILE  15          HG21      ILE  15   9.314  -3.877  11.692
   99   2HG2  ILE  15          HG22      ILE  15   7.953  -4.502  12.624
  100   3HG2  ILE  15          HG23      ILE  15   7.995  -2.801  12.157
  101   1HD1  ILE  15          HD11      ILE  15   8.011  -7.582  10.605
  102   2HD1  ILE  15          HD12      ILE  15   8.948  -6.338  11.433
  103   3HD1  ILE  15          HD13      ILE  15   8.943  -6.412   9.671
  104    H    ASN  16           HN       ASN  16   6.505  -1.860   8.327
  105    HA   ASN  16           HA       ASN  16   6.636   0.688   9.677
  106   1HB   ASN  16          HB2       ASN  16   8.978  -0.246   9.786
  107   2HB   ASN  16          HB1       ASN  16   9.008  -0.225   8.028
  108   1HD2  ASN  16          HD21      ASN  16   9.704   1.474  10.802
  109   2HD2  ASN  16          HD22      ASN  16   9.935   3.039  10.106
  110    H    LYS  17           HN       LYS  17   6.463   2.460   8.213
  111    HA   LYS  17           HA       LYS  17   4.795   1.969   6.002
  112   1HB   LYS  17          HB2       LYS  17   4.643   4.028   7.271
  113   2HB   LYS  17          HB1       LYS  17   6.291   4.458   6.840
  114   1HG   LYS  17          HG2       LYS  17   5.633   4.697   4.506
  115   2HG   LYS  17          HG1       LYS  17   3.982   4.227   4.917
  116   1HD   LYS  17          HD2       LYS  17   3.655   6.189   6.216
  117   2HD   LYS  17          HD1       LYS  17   5.372   6.589   6.165
  118   1HE   LYS  17          HE2       LYS  17   4.121   8.018   4.652
  119   2HE   LYS  17          HE1       LYS  17   5.209   6.966   3.750
  120   1HZ   LYS  17          HZ1       LYS  17   2.281   6.932   3.883
  121   2HZ   LYS  17          HZ2       LYS  17   3.088   5.471   3.615
  122   3HZ   LYS  17          HZ3       LYS  17   3.298   6.766   2.542
  123    H    LYS  18           HN       LYS  18   8.267   2.542   6.254
  124    HA   LYS  18           HA       LYS  18   8.898   3.183   3.647
  125   1HB   LYS  18          HB2       LYS  18  10.531   3.194   5.477
  126   2HB   LYS  18          HB1       LYS  18  10.514   1.436   5.508
  127   1HG   LYS  18          HG2       LYS  18  11.416   1.385   3.238
  128   2HG   LYS  18          HG1       LYS  18  11.433   3.149   3.207
  129   1HD   LYS  18          HD2       LYS  18  12.997   3.163   5.092
  130   2HD   LYS  18          HD1       LYS  18  12.979   1.398   5.118
  131   1HE   LYS  18          HE2       LYS  18  13.893   1.358   2.848
  132   2HE   LYS  18          HE1       LYS  18  13.910   3.121   2.823
  133   1HZ   LYS  18          HZ1       LYS  18  16.076   2.007   3.370
  134   2HZ   LYS  18          HZ2       LYS  18  15.389   1.536   4.842
  135   3HZ   LYS  18          HZ3       LYS  18  15.565   3.179   4.479
  136    HA   PRO  19           HA       PRO  19   9.427  -1.704   2.633
  137   1HB   PRO  19          HB2       PRO  19   7.153  -2.382   4.478
  138   2HB   PRO  19          HB1       PRO  19   8.482  -3.413   3.946
  139   1HG   PRO  19          HG2       PRO  19   8.584  -2.344   6.339
  140   2HG   PRO  19          HG1       PRO  19  10.037  -2.304   5.318
  141   1HD   PRO  19          HD2       PRO  19   8.115  -0.112   5.968
  142   2HD   PRO  19          HD1       PRO  19   9.875  -0.042   5.748
  143    H    CYS  20           HN       CYS  20   6.266  -0.488   3.675
  144    HA   CYS  20           HA       CYS  20   4.783  -1.532   1.518
  145   1HB   CYS  20          HB2       CYS  20   3.767  -0.843   3.654
  146   2HB   CYS  20          HB1       CYS  20   4.194   0.833   3.328
  147    H    VAL  21           HN       VAL  21   5.998   1.772   2.133
  148    HA   VAL  21           HA       VAL  21   5.123   2.939  -0.250
  149    HB   VAL  21           HB       VAL  21   7.569   3.600   1.408
  150   1HG1  VAL  21          HG11      VAL  21   6.238   5.537  -0.440
  151   2HG1  VAL  21          HG12      VAL  21   7.465   4.429  -1.054
  152   3HG1  VAL  21          HG13      VAL  21   7.869   5.568   0.230
  153   1HG2  VAL  21          HG21      VAL  21   4.699   4.343   1.522
  154   2HG2  VAL  21          HG22      VAL  21   5.889   5.581   1.925
  155   3HG2  VAL  21          HG23      VAL  21   5.851   4.067   2.828
  156    H    ALA  22           HN       ALA  22   8.008   1.064   0.478
  157    HA   ALA  22           HA       ALA  22   9.417   1.504  -1.907
  158   1HB   ALA  22          HB1       ALA  22   9.769  -0.040   0.391
  159   2HB   ALA  22          HB2       ALA  22  10.903   0.155  -0.945
  160   3HB   ALA  22          HB3       ALA  22   9.765  -1.192  -0.944
  161    H    CYS  23           HN       CYS  23   7.044  -1.026  -1.042
  162    HA   CYS  23           HA       CYS  23   7.134  -2.336  -3.548
  163   1HB   CYS  23          HB2       CYS  23   6.061  -3.261  -1.424
  164   2HB   CYS  23          HB1       CYS  23   4.688  -2.224  -1.793
  165    H    CYS  24           HN       CYS  24   4.924   0.061  -2.204
  166    HA   CYS  24           HA       CYS  24   3.218   0.331  -4.373
  167   1HB   CYS  24          HB2       CYS  24   4.105   2.478  -2.434
  168   2HB   CYS  24          HB1       CYS  24   2.670   2.545  -3.447
  169    H    LYS  25           HN       LYS  25   6.274   2.024  -3.700
  170    HA   LYS  25           HA       LYS  25   6.152   3.749  -5.922
  171   1HB   LYS  25          HB2       LYS  25   8.149   3.004  -3.918
  172   2HB   LYS  25          HB1       LYS  25   8.842   3.449  -5.472
  173   1HG   LYS  25          HG2       LYS  25   8.591   5.328  -3.835
  174   2HG   LYS  25          HG1       LYS  25   7.838   5.598  -5.408
  175   1HD   LYS  25          HD2       LYS  25   5.677   4.804  -4.384
  176   2HD   LYS  25          HD1       LYS  25   6.489   4.849  -2.819
  177   1HE   LYS  25          HE2       LYS  25   6.310   7.219  -4.664
  178   2HE   LYS  25          HE1       LYS  25   5.124   6.882  -3.406
  179   1HZ   LYS  25          HZ1       LYS  25   7.460   6.742  -2.069
  180   2HZ   LYS  25          HZ2       LYS  25   6.458   8.103  -2.131
  181   3HZ   LYS  25          HZ3       LYS  25   7.775   7.975  -3.185
  182    H    LYS  26           HN       LYS  26   7.710   0.548  -5.563
  183    HA   LYS  26           HA       LYS  26   8.750   0.600  -8.209
  184   1HB   LYS  26          HB2       LYS  26   9.182  -1.816  -7.917
  185   2HB   LYS  26          HB1       LYS  26   9.807  -0.842  -6.601
  186   1HG   LYS  26          HG2       LYS  26   8.919  -2.674  -5.521
  187   2HG   LYS  26          HG1       LYS  26   7.629  -1.482  -5.383
  188   1HD   LYS  26          HD2       LYS  26   6.711  -3.646  -5.983
  189   2HD   LYS  26          HD1       LYS  26   6.500  -2.509  -7.315
  190   1HE   LYS  26          HE2       LYS  26   8.480  -3.462  -8.416
  191   2HE   LYS  26          HE1       LYS  26   8.644  -4.619  -7.094
  192   1HZ   LYS  26          HZ1       LYS  26   6.491  -5.532  -7.659
  193   2HZ   LYS  26          HZ2       LYS  26   7.512  -5.581  -9.007
  194   3HZ   LYS  26          HZ3       LYS  26   6.302  -4.402  -8.906
  195    H    ALA  27           HN       ALA  27   5.620   0.124  -7.013
  196    HA   ALA  27           HA       ALA  27   4.776  -1.276  -9.457
  197   1HB   ALA  27          HB1       ALA  27   3.646  -2.454  -7.920
  198   2HB   ALA  27          HB2       ALA  27   2.526  -1.091  -7.934
  199   3HB   ALA  27          HB3       ALA  27   3.784  -1.185  -6.702
  200    H    LYS  28           HN       LYS  28   5.414   1.714  -8.788
  201    HA   LYS  28           HA       LYS  28   4.832   3.737  -9.570
  202   1HB   LYS  28          HB2       LYS  28   4.601   2.556 -11.716
  203   2HB   LYS  28          HB1       LYS  28   2.911   2.240 -11.358
  204   1HG   LYS  28          HG2       LYS  28   2.358   4.547 -11.508
  205   2HG   LYS  28          HG1       LYS  28   4.057   5.015 -11.552
  206   1HD   LYS  28          HD2       LYS  28   4.334   4.277 -13.738
  207   2HD   LYS  28          HD1       LYS  28   2.925   3.217 -13.661
  208   1HE   LYS  28          HE2       LYS  28   2.630   5.282 -15.056
  209   2HE   LYS  28          HE1       LYS  28   1.427   5.056 -13.790
  210   1HZ   LYS  28          HZ1       LYS  28   3.243   6.551 -12.522
  211   2HZ   LYS  28          HZ2       LYS  28   1.899   7.184 -13.336
  212   3HZ   LYS  28          HZ3       LYS  28   3.411   7.139 -14.099
  213    H    PHE  29           HN       PHE  29   3.802   3.333  -7.198
  214    HA   PHE  29           HA       PHE  29   1.087   4.455  -7.379
  215   1HB   PHE  29          HB2       PHE  29   2.250   2.667  -5.240
  216   2HB   PHE  29          HB1       PHE  29   0.815   3.647  -4.972
  217    HD1  PHE  29           HD1      PHE  29  -1.292   2.856  -5.580
  218    HD2  PHE  29           HD2      PHE  29   2.182   0.971  -7.158
  219    HE1  PHE  29           HE1      PHE  29  -2.690   1.055  -6.495
  220    HE2  PHE  29           HE2      PHE  29   0.784  -0.828  -8.084
  221    HZ   PHE  29           HZ       PHE  29  -1.654  -0.789  -7.752
  222    H    SER  30           HN       SER  30   0.638   6.240  -6.117
  223    HA   SER  30           HA       SER  30   2.685   8.095  -5.779
  224   1HB   SER  30          HB2       SER  30  -0.017   8.177  -4.435
  225   2HB   SER  30          HB1       SER  30   1.003   9.547  -4.881
  226    HG   SER  30           HG       SER  30   0.551   9.214  -6.996
  227    H    ASP  31           HN       ASP  31   0.984   6.162  -3.327
  228    HA   ASP  31           HA       ASP  31   3.263   6.144  -1.610
  229   1HB   ASP  31          HB2       ASP  31   2.509   8.413  -1.087
  230   2HB   ASP  31          HB1       ASP  31   0.894   7.809  -0.725
  231    H    GLY  32           HN       GLY  32   3.023   4.738   0.167
  232   1HA   GLY  32          HA2       GLY  32   0.573   3.098   0.038
  233   2HA   GLY  32          HA1       GLY  32   2.173   2.435   0.338
  234    H    HIS  33           HN       HIS  33  -0.309   2.296   1.890
  235    HA   HIS  33           HA       HIS  33   0.820   3.184   4.442
  236   1HB   HIS  33          HB2       HIS  33  -1.526   3.794   5.194
  237   2HB   HIS  33          HB1       HIS  33  -0.771   4.902   4.059
  238    HD1  HIS  33           HD1      HIS  33  -1.578   4.474   1.443
  239    HD2  HIS  33           HD2      HIS  33  -4.017   3.007   4.472
  240    HE1  HIS  33           HE1      HIS  33  -3.811   4.063   0.371
  241    H    CYS  34           HN       CYS  34   0.791   1.653   5.922
  242    HA   CYS  34           HA       CYS  34  -0.112  -0.960   5.298
  243   1HB   CYS  34          HB2       CYS  34   0.627  -0.020   8.062
  244   2HB   CYS  34          HB1       CYS  34   0.847  -1.616   7.354
  245    H    SER  35           HN       SER  35  -1.909  -2.044   5.885
  246    HA   SER  35           HA       SER  35  -4.200  -0.607   6.757
  247   1HB   SER  35          HB2       SER  35  -4.274  -2.577   5.224
  248   2HB   SER  35          HB1       SER  35  -3.814  -3.608   6.576
  249    HG   SER  35           HG       SER  35  -6.247  -2.557   5.926
  250    H    LYS  36           HN       LYS  36  -5.583  -1.661   8.606
  251    HA   LYS  36           HA       LYS  36  -3.934  -1.478  10.989
  252   1HB   LYS  36          HB2       LYS  36  -6.014  -0.162  10.802
  253   2HB   LYS  36          HB1       LYS  36  -6.936  -1.661  10.745
  254   1HG   LYS  36          HG2       LYS  36  -7.060  -0.864  12.966
  255   2HG   LYS  36          HG1       LYS  36  -5.949  -2.239  12.969
  256   1HD   LYS  36          HD2       LYS  36  -5.068  -0.415  14.330
  257   2HD   LYS  36          HD1       LYS  36  -4.045  -0.701  12.921
  258   1HE   LYS  36          HE2       LYS  36  -5.170   1.174  11.769
  259   2HE   LYS  36          HE1       LYS  36  -6.103   1.483  13.232
  260   1HZ   LYS  36          HZ1       LYS  36  -3.287   2.014  12.675
  261   2HZ   LYS  36          HZ2       LYS  36  -3.685   1.556  14.254
  262   3HZ   LYS  36          HZ3       LYS  36  -4.404   2.922  13.565
  263    H    ILE  37           HN       ILE  37  -6.134  -3.812   9.489
  264    HA   ILE  37           HA       ILE  37  -5.998  -5.691  11.621
  265    HB   ILE  37           HB       ILE  37  -6.731  -6.276   8.754
  266   1HG1  ILE  37          HG12      ILE  37  -8.555  -5.355  10.984
  267   2HG1  ILE  37          HG11      ILE  37  -7.976  -4.316   9.686
  268   1HG2  ILE  37          HG21      ILE  37  -6.816  -8.348   9.643
  269   2HG2  ILE  37          HG22      ILE  37  -8.354  -7.794  10.305
  270   3HG2  ILE  37          HG23      ILE  37  -6.897  -7.745  11.298
  271   1HD1  ILE  37          HD11      ILE  37  -9.436  -5.148   8.204
  272   2HD1  ILE  37          HD12      ILE  37 -10.319  -5.645   9.648
  273   3HD1  ILE  37          HD13      ILE  37  -9.278  -6.796   8.811
  274    H    LEU  38           HN       LEU  38  -5.242  -6.914   8.451
  275    HA   LEU  38           HA       LEU  38  -3.011  -8.411   9.432
  276   1HB   LEU  38          HB2       LEU  38  -4.581  -9.153   7.615
  277   2HB   LEU  38          HB1       LEU  38  -3.844  -7.964   6.565
  278    HG   LEU  38           HG       LEU  38  -1.676  -9.118   6.793
  279   1HD1  LEU  38          HD11      LEU  38  -3.246 -11.222   8.276
  280   2HD1  LEU  38          HD12      LEU  38  -2.081 -10.117   9.006
  281   3HD1  LEU  38          HD13      LEU  38  -1.545 -11.305   7.818
  282   1HD2  LEU  38          HD21      LEU  38  -2.300 -10.142   4.929
  283   2HD2  LEU  38          HD22      LEU  38  -3.993 -10.018   5.406
  284   3HD2  LEU  38          HD23      LEU  38  -3.041 -11.423   5.888
  285    H    ARG  39           HN       ARG  39  -3.357  -5.287   8.573
  286    HA   ARG  39           HA       ARG  39  -1.981  -3.545   8.172
  287   1HB   ARG  39          HB2       ARG  39   0.414  -5.323   8.523
  288   2HB   ARG  39          HB1       ARG  39   0.256  -3.610   8.864
  289   1HG   ARG  39          HG2       ARG  39  -1.160  -5.744  10.422
  290   2HG   ARG  39          HG1       ARG  39   0.424  -5.098  10.848
  291   1HD   ARG  39          HD2       ARG  39  -0.496  -2.892  11.123
  292   2HD   ARG  39          HD1       ARG  39  -2.069  -3.434  10.536
  293    HE   ARG  39           HE       ARG  39  -2.537  -4.205  12.619
  294   1HH1  ARG  39          HH11      ARG  39   0.938  -3.777  12.383
  295   2HH1  ARG  39          HH12      ARG  39   1.238  -4.249  14.021
  296   1HH2  ARG  39          HH21      ARG  39  -2.142  -4.834  14.776
  297   2HH2  ARG  39          HH22      ARG  39  -0.523  -4.853  15.388
  298    H    ARG  40           HN       ARG  40  -2.883  -5.209   6.007
  299    HA   ARG  40           HA       ARG  40  -0.885  -5.775   4.130
  300   1HB   ARG  40          HB2       ARG  40  -3.797  -5.079   3.848
  301   2HB   ARG  40          HB1       ARG  40  -2.785  -5.306   2.429
  302   1HG   ARG  40          HG2       ARG  40  -2.231  -7.575   3.236
  303   2HG   ARG  40          HG1       ARG  40  -3.352  -7.335   4.579
  304   1HD   ARG  40          HD2       ARG  40  -5.194  -7.043   3.014
  305   2HD   ARG  40          HD1       ARG  40  -4.086  -7.207   1.652
  306    HE   ARG  40           HE       ARG  40  -5.227  -9.312   3.219
  307   1HH1  ARG  40          HH11      ARG  40  -2.528  -8.455   1.142
  308   2HH1  ARG  40          HH12      ARG  40  -2.078 -10.106   0.845
  309   1HH2  ARG  40          HH21      ARG  40  -4.602 -11.487   2.807
  310   2HH2  ARG  40          HH22      ARG  40  -3.221 -11.807   1.795
  311    H    CYS  41           HN       CYS  41   0.123  -4.576   2.587
  312    HA   CYS  41           HA       CYS  41   0.388  -1.785   3.087
  313   1HB   CYS  41          HB2       CYS  41   2.326  -3.019   2.410
  314   2HB   CYS  41          HB1       CYS  41   1.514  -3.611   0.965
  315    H    LEU  42           HN       LEU  42  -1.564  -0.734   2.625
  316    HA   LEU  42           HA       LEU  42  -2.850  -1.115   0.069
  317   1HB   LEU  42          HB2       LEU  42  -3.331   0.631   2.450
  318   2HB   LEU  42          HB1       LEU  42  -4.064   1.082   0.925
  319    HG   LEU  42           HG       LEU  42  -5.073  -1.273   0.905
  320   1HD1  LEU  42          HD11      LEU  42  -3.788  -2.383   2.550
  321   2HD1  LEU  42          HD12      LEU  42  -5.407  -2.188   3.222
  322   3HD1  LEU  42          HD13      LEU  42  -4.101  -1.124   3.744
  323   1HD2  LEU  42          HD21      LEU  42  -5.822   1.084   2.484
  324   2HD2  LEU  42          HD22      LEU  42  -6.646  -0.409   2.934
  325   3HD2  LEU  42          HD23      LEU  42  -6.739   0.184   1.276
  326    H    CYS  43           HN       CYS  43  -2.011  -0.296  -1.719
  327    HA   CYS  43           HA       CYS  43  -0.315   2.074  -1.545
  328   1HB   CYS  43          HB2       CYS  43  -0.798   0.129  -3.807
  329   2HB   CYS  43          HB1       CYS  43   0.289   1.507  -3.887
  330    H    THR  44           HN       THR  44  -0.893   3.997  -2.281
  331    HA   THR  44           HA       THR  44  -3.481   4.269  -3.670
  332    HB   THR  44           HB       THR  44  -2.346   6.770  -2.841
  333    HG1  THR  44           HG1      THR  44  -1.314   5.630  -1.176
  334   1HG2  THR  44          HG21      THR  44  -4.565   7.034  -2.905
  335   2HG2  THR  44          HG22      THR  44  -4.563   6.352  -1.278
  336   3HG2  THR  44          HG23      THR  44  -4.862   5.311  -2.671
  337    H    LYS  45           HN       LYS  45  -3.526   5.573  -5.584
  338    HA   LYS  45           HA       LYS  45  -1.097   6.801  -6.489
  339   1HB   LYS  45          HB2       LYS  45  -0.502   5.436  -8.287
  340   2HB   LYS  45          HB1       LYS  45  -0.797   4.319  -6.965
  341   1HG   LYS  45          HG2       LYS  45  -2.947   3.725  -7.891
  342   2HG   LYS  45          HG1       LYS  45  -2.762   4.934  -9.166
  343   1HD   LYS  45          HD2       LYS  45  -0.609   3.675  -9.772
  344   2HD   LYS  45          HD1       LYS  45  -1.245   2.372  -8.768
  345   1HE   LYS  45          HE2       LYS  45  -1.886   1.882 -10.993
  346   2HE   LYS  45          HE1       LYS  45  -3.334   2.466 -10.173
  347   1HZ   LYS  45          HZ1       LYS  45  -1.592   4.166 -11.872
  348   2HZ   LYS  45          HZ2       LYS  45  -3.094   4.590 -11.216
  349   3HZ   LYS  45          HZ3       LYS  45  -2.999   3.407 -12.423
  350    H    GLU  46           HN       GLU  46  -1.392   6.900  -9.089
  351    HA   GLU  46           HA       GLU  46  -3.373   8.898  -9.504
  352   1HB   GLU  46          HB2       GLU  46  -2.313   8.933 -11.786
  353   2HB   GLU  46          HB1       GLU  46  -1.173   9.131 -10.456
  354   1HG   GLU  46          HG2       GLU  46  -0.674   6.703 -10.594
  355   2HG   GLU  46          HG1       GLU  46  -1.708   6.610 -12.014
  356    H    CYS  47           HN       CYS  47  -5.182   8.830 -10.673
  357    HA   CYS  47           HA       CYS  47  -5.888   7.153 -12.718
  358   1HB   CYS  47          HB2       CYS  47  -7.421   5.560 -11.835
  359   2HB   CYS  47          HB1       CYS  47  -5.908   5.360 -10.964
  Start of MODEL   17
    1   1H    ALA   1          HT1       ALA   1 -10.672  12.980  -4.853
    2   2H    ALA   1          HT2       ALA   1 -11.937  12.694  -5.941
    3   3H    ALA   1          HT3       ALA   1 -10.884  13.992  -6.192
    4    HA   ALA   1           HA       ALA   1 -10.686  11.529  -7.297
    5   1HB   ALA   1          HB1       ALA   1  -8.921  12.441  -8.436
    6   2HB   ALA   1          HB2       ALA   1  -8.239  13.198  -6.997
    7   3HB   ALA   1          HB3       ALA   1  -9.648  13.909  -7.784
    8    H    THR   2           HN       THR   2 -10.856  10.868  -4.609
    9    HA   THR   2           HA       THR   2  -8.179   9.935  -3.869
   10    HB   THR   2           HB       THR   2 -10.688   9.711  -2.200
   11    HG1  THR   2           HG1      THR   2  -9.224  11.721  -1.322
   12   1HG2  THR   2          HG21      THR   2  -8.301  10.195  -0.719
   13   2HG2  THR   2          HG22      THR   2  -7.990   8.889  -1.863
   14   3HG2  THR   2          HG23      THR   2  -9.323   8.757  -0.717
   15    H    CYS   3           HN       CYS   3  -7.714   7.984  -4.709
   16    HA   CYS   3           HA       CYS   3  -9.924   6.055  -4.924
   17   1HB   CYS   3          HB2       CYS   3  -7.461   6.357  -6.651
   18   2HB   CYS   3          HB1       CYS   3  -8.727   5.146  -6.872
   19    H    LYS   4           HN       LYS   4  -9.759   4.095  -4.096
   20    HA   LYS   4           HA       LYS   4  -7.202   3.260  -2.870
   21   1HB   LYS   4          HB2       LYS   4  -8.999   3.995  -1.237
   22   2HB   LYS   4          HB1       LYS   4  -9.986   2.668  -1.822
   23   1HG   LYS   4          HG2       LYS   4  -7.269   2.285  -0.581
   24   2HG   LYS   4          HG1       LYS   4  -8.769   2.271   0.341
   25   1HD   LYS   4          HD2       LYS   4  -8.064   0.389  -1.916
   26   2HD   LYS   4          HD1       LYS   4  -8.005   0.002  -0.198
   27   1HE   LYS   4          HE2       LYS   4 -10.397   0.285  -0.010
   28   2HE   LYS   4          HE1       LYS   4 -10.497   0.832  -1.683
   29   1HZ   LYS   4          HZ1       LYS   4  -9.598  -1.883  -0.832
   30   2HZ   LYS   4          HZ2       LYS   4  -9.804  -1.346  -2.424
   31   3HZ   LYS   4          HZ3       LYS   4 -11.146  -1.505  -1.411
   32    H    ALA   5           HN       ALA   5  -6.508   1.318  -3.415
   33    HA   ALA   5           HA       ALA   5  -8.260  -0.808  -4.227
   34   1HB   ALA   5          HB1       ALA   5  -7.465   0.887  -6.264
   35   2HB   ALA   5          HB2       ALA   5  -8.029  -0.772  -6.457
   36   3HB   ALA   5          HB3       ALA   5  -6.301  -0.435  -6.350
   37    H    GLU   6           HN       GLU   6  -7.353  -2.643  -3.517
   38    HA   GLU   6           HA       GLU   6  -4.842  -2.617  -2.249
   39   1HB   GLU   6          HB2       GLU   6  -6.530  -4.970  -3.130
   40   2HB   GLU   6          HB1       GLU   6  -5.107  -5.094  -2.125
   41   1HG   GLU   6          HG2       GLU   6  -6.996  -5.220  -0.707
   42   2HG   GLU   6          HG1       GLU   6  -6.221  -3.666  -0.436
   43    H    CYS   7           HN       CYS   7  -2.877  -3.185  -2.914
   44    HA   CYS   7           HA       CYS   7  -2.163  -2.960  -5.588
   45   1HB   CYS   7          HB2       CYS   7  -0.611  -2.766  -3.608
   46   2HB   CYS   7          HB1       CYS   7  -0.582  -4.526  -3.539
   47    HA   PRO   8           HA       PRO   8  -3.676  -6.764  -7.340
   48   1HB   PRO   8          HB2       PRO   8  -1.595  -6.149  -9.377
   49   2HB   PRO   8          HB1       PRO   8  -3.314  -6.493  -9.593
   50   1HG   PRO   8          HG2       PRO   8  -2.387  -4.009  -9.829
   51   2HG   PRO   8          HG1       PRO   8  -3.951  -4.329  -9.055
   52   1HD   PRO   8          HD2       PRO   8  -1.321  -3.649  -7.811
   53   2HD   PRO   8          HD1       PRO   8  -2.957  -3.153  -7.334
   54    H    THR   9           HN       THR   9  -0.200  -6.087  -7.290
   55    HA   THR   9           HA       THR   9   0.435  -8.914  -7.245
   56    HB   THR   9           HB       THR   9   2.831  -7.908  -6.963
   57    HG1  THR   9           HG1      THR   9   2.052  -5.760  -6.513
   58   1HG2  THR   9          HG21      THR   9   1.793  -7.119  -9.602
   59   2HG2  THR   9          HG22      THR   9   1.392  -8.762  -9.100
   60   3HG2  THR   9          HG23      THR   9   3.078  -8.252  -9.180
   61    H    TRP  10           HN       TRP  10  -1.060  -8.489  -5.098
   62    HA   TRP  10           HA       TRP  10   0.838  -8.808  -2.912
   63   1HB   TRP  10          HB2       TRP  10   0.192  -6.404  -2.903
   64   2HB   TRP  10          HB1       TRP  10  -1.494  -6.885  -2.735
   65    HD1  TRP  10           HD1      TRP  10  -2.267  -7.858  -0.361
   66    HE1  TRP  10           HE1      TRP  10  -1.206  -7.700   1.993
   67    HE3  TRP  10           HE3      TRP  10   2.399  -6.251  -1.683
   68    HZ2  TRP  10           HZ2      TRP  10   1.283  -6.954   3.128
   69    HZ3  TRP  10           HZ3      TRP  10   4.048  -5.817   0.086
   70    HH2  TRP  10           HH2      TRP  10   3.501  -6.166   2.438
   71    H    ASP  11           HN       ASP  11   0.300 -10.508  -1.748
   72    HA   ASP  11           HA       ASP  11  -2.479 -11.182  -1.251
   73   1HB   ASP  11          HB2       ASP  11  -2.030 -13.590  -1.928
   74   2HB   ASP  11          HB1       ASP  11  -2.181 -12.442  -3.254
   75    H    SER  12           HN       SER  12   0.129 -10.390   0.116
   76    HA   SER  12           HA       SER  12   0.230 -12.622   2.024
   77   1HB   SER  12          HB2       SER  12   2.350 -12.028   0.737
   78   2HB   SER  12          HB1       SER  12   2.375 -10.526   1.660
   79    HG   SER  12           HG       SER  12   2.969 -13.103   2.444
   80    H    VAL  13           HN       VAL  13   1.358 -11.508   4.166
   81    HA   VAL  13           HA       VAL  13  -0.744  -9.750   5.150
   82    HB   VAL  13           HB       VAL  13   1.489 -11.167   6.617
   83   1HG1  VAL  13          HG11      VAL  13   0.333  -8.967   7.551
   84   2HG1  VAL  13          HG12      VAL  13   0.755 -10.323   8.597
   85   3HG1  VAL  13          HG13      VAL  13  -0.903 -10.130   8.029
   86   1HG2  VAL  13          HG21      VAL  13  -0.715 -12.296   5.491
   87   2HG2  VAL  13          HG22      VAL  13  -1.295 -11.935   7.117
   88   3HG2  VAL  13          HG23      VAL  13   0.139 -12.937   6.895
   89    H    CYS  14           HN       CYS  14  -0.483  -7.628   5.249
   90    HA   CYS  14           HA       CYS  14   2.096  -6.411   4.825
   91   1HB   CYS  14          HB2       CYS  14  -0.097  -5.532   3.908
   92   2HB   CYS  14          HB1       CYS  14  -0.511  -5.058   5.549
   93    H    ILE  15           HN       ILE  15   3.494  -6.054   6.431
   94    HA   ILE  15           HA       ILE  15   2.495  -5.999   9.184
   95    HB   ILE  15           HB       ILE  15   5.343  -6.244   8.193
   96   1HG1  ILE  15          HG12      ILE  15   3.482  -8.364   9.297
   97   2HG1  ILE  15          HG11      ILE  15   3.909  -8.181   7.599
   98   1HG2  ILE  15          HG21      ILE  15   4.226  -5.731  10.797
   99   2HG2  ILE  15          HG22      ILE  15   5.915  -5.774  10.290
  100   3HG2  ILE  15          HG23      ILE  15   5.105  -7.260  10.787
  101   1HD1  ILE  15          HD11      ILE  15   5.382  -9.424   9.784
  102   2HD1  ILE  15          HD12      ILE  15   6.358  -8.342   8.789
  103   3HD1  ILE  15          HD13      ILE  15   5.491  -9.684   8.043
  104    H    ASN  16           HN       ASN  16   4.683  -4.218   7.043
  105    HA   ASN  16           HA       ASN  16   4.210  -1.818   8.672
  106   1HB   ASN  16          HB2       ASN  16   6.486  -2.626   9.066
  107   2HB   ASN  16          HB1       ASN  16   6.795  -2.670   7.336
  108   1HD2  ASN  16          HD21      ASN  16   8.376  -1.206   7.138
  109   2HD2  ASN  16          HD22      ASN  16   8.258   0.450   7.617
  110    H    LYS  17           HN       LYS  17   4.605   0.219   7.417
  111    HA   LYS  17           HA       LYS  17   2.993   0.293   5.133
  112   1HB   LYS  17          HB2       LYS  17   5.008   2.292   6.166
  113   2HB   LYS  17          HB1       LYS  17   3.898   2.620   4.844
  114   1HG   LYS  17          HG2       LYS  17   2.926   1.763   7.547
  115   2HG   LYS  17          HG1       LYS  17   3.264   3.450   7.166
  116   1HD   LYS  17          HD2       LYS  17   1.490   1.865   5.358
  117   2HD   LYS  17          HD1       LYS  17   0.847   2.474   6.883
  118   1HE   LYS  17          HE2       LYS  17   0.318   4.160   5.368
  119   2HE   LYS  17          HE1       LYS  17   1.791   4.749   6.131
  120   1HZ   LYS  17          HZ1       LYS  17   1.467   4.770   3.531
  121   2HZ   LYS  17          HZ2       LYS  17   2.052   3.187   3.670
  122   3HZ   LYS  17          HZ3       LYS  17   2.986   4.484   4.227
  123    H    LYS  18           HN       LYS  18   6.517   0.095   5.429
  124    HA   LYS  18           HA       LYS  18   7.318   0.782   2.914
  125   1HB   LYS  18          HB2       LYS  18   8.901   0.249   4.680
  126   2HB   LYS  18          HB1       LYS  18   8.467  -1.452   4.585
  127   1HG   LYS  18          HG2       LYS  18  10.573  -1.032   3.454
  128   2HG   LYS  18          HG1       LYS  18   9.342  -1.553   2.303
  129   1HD   LYS  18          HD2       LYS  18   8.951   0.841   1.734
  130   2HD   LYS  18          HD1       LYS  18  10.305   1.267   2.782
  131   1HE   LYS  18          HE2       LYS  18  10.456  -0.534   0.365
  132   2HE   LYS  18          HE1       LYS  18  10.956   1.156   0.412
  133   1HZ   LYS  18          HZ1       LYS  18  12.483   0.405   2.296
  134   2HZ   LYS  18          HZ2       LYS  18  12.912  -0.030   0.719
  135   3HZ   LYS  18          HZ3       LYS  18  12.197  -1.169   1.744
  136    HA   PRO  19           HA       PRO  19   6.817  -3.859   1.219
  137   1HB   PRO  19          HB2       PRO  19   4.468  -4.449   2.988
  138   2HB   PRO  19          HB1       PRO  19   5.636  -5.574   2.290
  139   1HG   PRO  19          HG2       PRO  19   5.850  -4.902   4.826
  140   2HG   PRO  19          HG1       PRO  19   7.309  -4.959   3.816
  141   1HD   PRO  19          HD2       PRO  19   5.763  -2.590   4.783
  142   2HD   PRO  19          HD1       PRO  19   7.516  -2.791   4.590
  143    H    CYS  20           HN       CYS  20   3.947  -2.295   2.573
  144    HA   CYS  20           HA       CYS  20   2.307  -2.708   0.314
  145   1HB   CYS  20          HB2       CYS  20   1.550  -2.250   2.683
  146   2HB   CYS  20          HB1       CYS  20   1.975  -0.563   2.417
  147    H    VAL  21           HN       VAL  21   4.015   0.197   1.495
  148    HA   VAL  21           HA       VAL  21   3.281   1.934  -0.553
  149    HB   VAL  21           HB       VAL  21   5.832   1.865   1.073
  150   1HG1  VAL  21          HG11      VAL  21   4.814   3.951  -0.847
  151   2HG1  VAL  21          HG12      VAL  21   6.368   3.117  -0.876
  152   3HG1  VAL  21          HG13      VAL  21   6.018   4.286   0.397
  153   1HG2  VAL  21          HG21      VAL  21   4.811   3.366   2.524
  154   2HG2  VAL  21          HG22      VAL  21   3.509   2.243   2.132
  155   3HG2  VAL  21          HG23      VAL  21   3.580   3.820   1.346
  156    H    ALA  22           HN       ALA  22   5.941  -0.401  -0.407
  157    HA   ALA  22           HA       ALA  22   7.220   0.339  -2.801
  158   1HB   ALA  22          HB1       ALA  22   7.154  -2.529  -2.029
  159   2HB   ALA  22          HB2       ALA  22   7.856  -1.383  -0.888
  160   3HB   ALA  22          HB3       ALA  22   8.514  -1.520  -2.519
  161    H    CYS  23           HN       CYS  23   4.712  -2.108  -2.168
  162    HA   CYS  23           HA       CYS  23   4.416  -2.984  -4.828
  163   1HB   CYS  23          HB2       CYS  23   3.460  -3.957  -2.597
  164   2HB   CYS  23          HB1       CYS  23   2.108  -2.876  -2.902
  165    H    CYS  24           HN       CYS  24   2.719  -0.513  -2.950
  166    HA   CYS  24           HA       CYS  24   0.943   0.303  -4.968
  167   1HB   CYS  24          HB2       CYS  24   2.082   1.901  -2.668
  168   2HB   CYS  24          HB1       CYS  24   0.675   2.351  -3.621
  169    H    LYS  25           HN       LYS  25   4.268   1.268  -4.237
  170    HA   LYS  25           HA       LYS  25   4.391   3.532  -5.894
  171   1HB   LYS  25          HB2       LYS  25   6.490   1.601  -4.935
  172   2HB   LYS  25          HB1       LYS  25   6.900   2.903  -6.038
  173   1HG   LYS  25          HG2       LYS  25   5.606   3.332  -3.355
  174   2HG   LYS  25          HG1       LYS  25   7.347   3.362  -3.625
  175   1HD   LYS  25          HD2       LYS  25   6.896   5.592  -3.816
  176   2HD   LYS  25          HD1       LYS  25   6.665   5.106  -5.496
  177   1HE   LYS  25          HE2       LYS  25   4.848   6.541  -4.788
  178   2HE   LYS  25          HE1       LYS  25   4.248   4.910  -5.085
  179   1HZ   LYS  25          HZ1       LYS  25   3.932   4.527  -2.854
  180   2HZ   LYS  25          HZ2       LYS  25   3.528   6.168  -2.961
  181   3HZ   LYS  25          HZ3       LYS  25   5.043   5.705  -2.365
  182    H    LYS  26           HN       LYS  26   5.308   0.146  -6.582
  183    HA   LYS  26           HA       LYS  26   5.887   0.693  -9.307
  184   1HB   LYS  26          HB2       LYS  26   5.823  -1.816  -9.581
  185   2HB   LYS  26          HB1       LYS  26   6.968  -1.198  -8.405
  186   1HG   LYS  26          HG2       LYS  26   6.089  -2.995  -7.296
  187   2HG   LYS  26          HG1       LYS  26   5.067  -1.689  -6.698
  188   1HD   LYS  26          HD2       LYS  26   3.680  -3.573  -7.248
  189   2HD   LYS  26          HD1       LYS  26   3.382  -2.288  -8.419
  190   1HE   LYS  26          HE2       LYS  26   4.808  -3.400 -10.037
  191   2HE   LYS  26          HE1       LYS  26   5.197  -4.655  -8.860
  192   1HZ   LYS  26          HZ1       LYS  26   2.804  -5.214  -8.801
  193   2HZ   LYS  26          HZ2       LYS  26   3.512  -5.464 -10.321
  194   3HZ   LYS  26          HZ3       LYS  26   2.540  -4.106 -10.057
  195    H    ALA  27           HN       ALA  27   2.955   0.285  -7.634
  196    HA   ALA  27           HA       ALA  27   1.488  -0.444 -10.058
  197   1HB   ALA  27          HB1       ALA  27   1.062  -0.811  -7.253
  198   2HB   ALA  27          HB2       ALA  27   0.192  -1.517  -8.614
  199   3HB   ALA  27          HB3       ALA  27  -0.314   0.039  -7.955
  200    H    LYS  28           HN       LYS  28   2.776   2.284  -9.050
  201    HA   LYS  28           HA       LYS  28   2.478   4.476  -9.472
  202   1HB   LYS  28          HB2       LYS  28   1.844   3.794 -11.705
  203   2HB   LYS  28          HB1       LYS  28   0.198   3.476 -11.189
  204   1HG   LYS  28          HG2       LYS  28   0.535   5.588 -12.492
  205   2HG   LYS  28          HG1       LYS  28  -0.267   5.786 -10.934
  206   1HD   LYS  28          HD2       LYS  28   2.182   6.237 -10.091
  207   2HD   LYS  28          HD1       LYS  28   2.467   6.625 -11.789
  208   1HE   LYS  28          HE2       LYS  28   1.892   8.642 -10.579
  209   2HE   LYS  28          HE1       LYS  28   0.599   8.237 -11.707
  210   1HZ   LYS  28          HZ1       LYS  28   0.002   6.980  -9.294
  211   2HZ   LYS  28          HZ2       LYS  28  -0.812   8.287 -10.004
  212   3HZ   LYS  28          HZ3       LYS  28   0.447   8.567  -8.910
  213    H    PHE  29           HN       PHE  29   1.390   3.463  -7.074
  214    HA   PHE  29           HA       PHE  29  -0.955   5.212  -6.728
  215   1HB   PHE  29          HB2       PHE  29  -0.057   2.810  -5.150
  216   2HB   PHE  29          HB1       PHE  29  -1.232   3.963  -4.518
  217    HD1  PHE  29           HD1      PHE  29  -3.504   3.871  -5.176
  218    HD2  PHE  29           HD2      PHE  29  -0.600   1.550  -7.251
  219    HE1  PHE  29           HE1      PHE  29  -5.302   2.648  -6.318
  220    HE2  PHE  29           HE2      PHE  29  -2.399   0.330  -8.402
  221    HZ   PHE  29           HZ       PHE  29  -4.752   0.877  -7.936
  222    H    SER  30           HN       SER  30  -0.979   6.719  -5.085
  223    HA   SER  30           HA       SER  30   1.399   8.060  -4.572
  224   1HB   SER  30          HB2       SER  30  -1.078   8.293  -2.871
  225   2HB   SER  30          HB1       SER  30   0.089   9.553  -3.282
  226    HG   SER  30           HG       SER  30  -1.212   9.977  -4.877
  227    H    ASP  31           HN       ASP  31  -0.516   6.015  -2.375
  228    HA   ASP  31           HA       ASP  31   1.869   5.179  -1.000
  229   1HB   ASP  31          HB2       ASP  31   1.524   7.305   0.146
  230   2HB   ASP  31          HB1       ASP  31  -0.153   6.885   0.478
  231    H    GLY  32           HN       GLY  32   1.492   3.456   0.479
  232   1HA   GLY  32          HA2       GLY  32  -1.156   2.207   0.146
  233   2HA   GLY  32          HA1       GLY  32   0.344   1.293   0.075
  234    H    HIS  33           HN       HIS  33  -2.083   1.265   1.866
  235    HA   HIS  33           HA       HIS  33  -0.566   1.223   4.379
  236   1HB   HIS  33          HB2       HIS  33  -2.544   2.082   5.583
  237   2HB   HIS  33          HB1       HIS  33  -1.910   3.242   4.428
  238    HD1  HIS  33           HD1      HIS  33  -4.883   1.092   5.127
  239    HD2  HIS  33           HD2      HIS  33  -3.624   3.807   2.248
  240    HE1  HIS  33           HE1      HIS  33  -6.919   1.618   3.753
  241    H    CYS  34           HN       CYS  34  -0.855  -0.513   5.606
  242    HA   CYS  34           HA       CYS  34  -2.077  -2.822   4.534
  243   1HB   CYS  34          HB2       CYS  34  -1.422  -2.514   7.451
  244   2HB   CYS  34          HB1       CYS  34  -1.284  -3.944   6.437
  245    H    SER  35           HN       SER  35  -4.047  -3.778   4.948
  246    HA   SER  35           HA       SER  35  -6.021  -2.113   6.266
  247   1HB   SER  35          HB2       SER  35  -7.611  -3.922   5.448
  248   2HB   SER  35          HB1       SER  35  -6.760  -3.013   4.199
  249    HG   SER  35           HG       SER  35  -5.569  -4.725   3.718
  250    H    LYS  36           HN       LYS  36  -7.750  -4.276   7.040
  251    HA   LYS  36           HA       LYS  36  -6.274  -5.359   9.342
  252   1HB   LYS  36          HB2       LYS  36  -7.639  -3.568  10.168
  253   2HB   LYS  36          HB1       LYS  36  -9.044  -4.160   9.291
  254   1HG   LYS  36          HG2       LYS  36  -9.114  -6.138  10.701
  255   2HG   LYS  36          HG1       LYS  36  -7.677  -5.586  11.564
  256   1HD   LYS  36          HD2       LYS  36  -8.862  -3.664  12.407
  257   2HD   LYS  36          HD1       LYS  36 -10.276  -4.060  11.428
  258   1HE   LYS  36          HE2       LYS  36 -10.568  -4.718  13.776
  259   2HE   LYS  36          HE1       LYS  36 -10.611  -6.105  12.688
  260   1HZ   LYS  36          HZ1       LYS  36  -8.226  -5.260  14.242
  261   2HZ   LYS  36          HZ2       LYS  36  -8.368  -6.652  13.291
  262   3HZ   LYS  36          HZ3       LYS  36  -9.285  -6.496  14.703
  263    H    ILE  37           HN       ILE  37  -8.904  -5.812   7.054
  264    HA   ILE  37           HA       ILE  37 -10.003  -8.172   7.962
  265    HB   ILE  37           HB       ILE  37  -9.593  -7.414   5.070
  266   1HG1  ILE  37          HG12      ILE  37 -11.919  -6.783   6.900
  267   2HG1  ILE  37          HG11      ILE  37 -10.674  -5.630   6.429
  268   1HG2  ILE  37          HG21      ILE  37 -10.815  -9.187   4.508
  269   2HG2  ILE  37          HG22      ILE  37 -12.049  -8.793   5.706
  270   3HG2  ILE  37          HG23      ILE  37 -10.640  -9.746   6.172
  271   1HD1  ILE  37          HD11      ILE  37 -11.602  -6.640   4.026
  272   2HD1  ILE  37          HD12      ILE  37 -11.999  -5.078   4.742
  273   3HD1  ILE  37          HD13      ILE  37 -13.050  -6.467   5.019
  274    H    LEU  38           HN       LEU  38  -7.410  -7.875   5.530
  275    HA   LEU  38           HA       LEU  38  -6.375 -10.472   6.414
  276   1HB   LEU  38          HB2       LEU  38  -7.878 -10.733   4.396
  277   2HB   LEU  38          HB1       LEU  38  -6.730  -9.759   3.505
  278    HG   LEU  38           HG       LEU  38  -4.976 -11.453   4.071
  279   1HD1  LEU  38          HD11      LEU  38  -7.298 -13.218   4.804
  280   2HD1  LEU  38          HD12      LEU  38  -6.272 -12.416   5.994
  281   3HD1  LEU  38          HD13      LEU  38  -5.578 -13.597   4.883
  282   1HD2  LEU  38          HD21      LEU  38  -5.372 -12.475   2.107
  283   2HD2  LEU  38          HD22      LEU  38  -6.733 -11.359   2.004
  284   3HD2  LEU  38          HD23      LEU  38  -6.983 -13.003   2.590
  285    H    ARG  39           HN       ARG  39  -5.704  -7.600   6.576
  286    HA   ARG  39           HA       ARG  39  -3.942  -6.180   6.457
  287   1HB   ARG  39          HB2       ARG  39  -2.423  -8.785   6.307
  288   2HB   ARG  39          HB1       ARG  39  -1.687  -7.215   6.593
  289   1HG   ARG  39          HG2       ARG  39  -3.705  -8.565   8.367
  290   2HG   ARG  39          HG1       ARG  39  -1.965  -8.465   8.647
  291   1HD   ARG  39          HD2       ARG  39  -3.727  -6.041   8.352
  292   2HD   ARG  39          HD1       ARG  39  -3.389  -6.798   9.908
  293    HE   ARG  39           HE       ARG  39  -0.941  -6.312   8.650
  294   1HH1  ARG  39          HH11      ARG  39  -3.617  -4.407   9.863
  295   2HH1  ARG  39          HH12      ARG  39  -2.612  -3.100  10.392
  296   1HH2  ARG  39          HH21      ARG  39   0.383  -4.592   9.320
  297   2HH2  ARG  39          HH22      ARG  39  -0.323  -3.204  10.082
  298    H    ARG  40           HN       ARG  40  -5.237  -6.976   3.944
  299    HA   ARG  40           HA       ARG  40  -3.246  -7.241   1.942
  300   1HB   ARG  40          HB2       ARG  40  -6.145  -6.458   1.885
  301   2HB   ARG  40          HB1       ARG  40  -5.153  -6.335   0.436
  302   1HG   ARG  40          HG2       ARG  40  -4.570  -8.739   0.716
  303   2HG   ARG  40          HG1       ARG  40  -5.735  -8.813   2.037
  304   1HD   ARG  40          HD2       ARG  40  -7.549  -8.345   0.579
  305   2HD   ARG  40          HD1       ARG  40  -6.461  -7.905  -0.739
  306    HE   ARG  40           HE       ARG  40  -7.327 -10.532  -0.029
  307   1HH1  ARG  40          HH11      ARG  40  -4.748  -8.703  -1.520
  308   2HH1  ARG  40          HH12      ARG  40  -4.043 -10.069  -2.324
  309   1HH2  ARG  40          HH21      ARG  40  -6.407 -12.361  -1.094
  310   2HH2  ARG  40          HH22      ARG  40  -4.996 -12.154  -2.079
  311    H    CYS  41           HN       CYS  41  -2.304  -5.737   0.651
  312    HA   CYS  41           HA       CYS  41  -1.778  -3.218   1.841
  313   1HB   CYS  41          HB2       CYS  41  -0.043  -4.391   0.641
  314   2HB   CYS  41          HB1       CYS  41  -1.011  -4.407  -0.828
  315    H    LEU  42           HN       LEU  42  -3.493  -1.819   1.874
  316    HA   LEU  42           HA       LEU  42  -5.092  -1.418  -0.509
  317   1HB   LEU  42          HB2       LEU  42  -5.136  -0.387   2.292
  318   2HB   LEU  42          HB1       LEU  42  -5.892   0.601   1.055
  319    HG   LEU  42           HG       LEU  42  -7.371  -1.298   0.477
  320   1HD1  LEU  42          HD11      LEU  42  -7.311  -3.341   1.481
  321   2HD1  LEU  42          HD12      LEU  42  -6.567  -2.720   2.955
  322   3HD1  LEU  42          HD13      LEU  42  -5.593  -2.943   1.502
  323   1HD2  LEU  42          HD21      LEU  42  -7.372   0.214   2.926
  324   2HD2  LEU  42          HD22      LEU  42  -8.180  -1.339   3.146
  325   3HD2  LEU  42          HD23      LEU  42  -8.720  -0.235   1.882
  326    H    CYS  43           HN       CYS  43  -4.296  -0.270  -2.116
  327    HA   CYS  43           HA       CYS  43  -2.304   1.785  -1.567
  328   1HB   CYS  43          HB2       CYS  43  -3.234   0.508  -4.143
  329   2HB   CYS  43          HB1       CYS  43  -2.015   1.771  -4.048
  330    H    THR  44           HN       THR  44  -2.645   3.905  -1.892
  331    HA   THR  44           HA       THR  44  -5.287   4.690  -2.927
  332    HB   THR  44           HB       THR  44  -4.887   6.820  -1.533
  333    HG1  THR  44           HG1      THR  44  -2.727   5.317  -0.811
  334   1HG2  THR  44          HG21      THR  44  -6.376   5.985  -0.074
  335   2HG2  THR  44          HG22      THR  44  -5.297   4.681   0.423
  336   3HG2  THR  44          HG23      THR  44  -6.271   4.511  -1.037
  337    H    LYS  45           HN       LYS  45  -5.360   6.252  -4.479
  338    HA   LYS  45           HA       LYS  45  -3.077   7.888  -5.115
  339   1HB   LYS  45          HB2       LYS  45  -2.376   6.965  -7.100
  340   2HB   LYS  45          HB1       LYS  45  -2.731   5.516  -6.174
  341   1HG   LYS  45          HG2       LYS  45  -4.863   5.280  -7.306
  342   2HG   LYS  45          HG1       LYS  45  -4.579   6.782  -8.191
  343   1HD   LYS  45          HD2       LYS  45  -2.378   5.573  -8.931
  344   2HD   LYS  45          HD1       LYS  45  -3.273   4.114  -8.501
  345   1HE   LYS  45          HE2       LYS  45  -3.596   4.516 -10.832
  346   2HE   LYS  45          HE1       LYS  45  -5.107   4.887 -10.003
  347   1HZ   LYS  45          HZ1       LYS  45  -4.922   7.090 -10.446
  348   2HZ   LYS  45          HZ2       LYS  45  -4.037   6.516 -11.768
  349   3HZ   LYS  45          HZ3       LYS  45  -3.229   7.097 -10.397
  350    H    GLU  46           HN       GLU  46  -3.492   8.931  -7.311
  351    HA   GLU  46           HA       GLU  46  -6.019  10.269  -7.098
  352   1HB   GLU  46          HB2       GLU  46  -5.074  11.824  -8.666
  353   2HB   GLU  46          HB1       GLU  46  -3.849  11.421  -7.476
  354   1HG   GLU  46          HG2       GLU  46  -4.022  10.456 -10.320
  355   2HG   GLU  46          HG1       GLU  46  -2.828  11.542  -9.631
  356    H    CYS  47           HN       CYS  47  -7.766  10.057  -8.383
  357    HA   CYS  47           HA       CYS  47  -7.759   9.388 -11.055
  358   1HB   CYS  47          HB2       CYS  47  -8.233   7.167 -11.305
  359   2HB   CYS  47          HB1       CYS  47  -7.186   7.081  -9.901
  Start of MODEL   18
    1   1H    ALA   1          HT1       ALA   1  -8.288  14.603  -8.664
    2   2H    ALA   1          HT2       ALA   1  -7.493  13.252  -9.311
    3   3H    ALA   1          HT3       ALA   1  -6.833  14.071  -7.985
    4    HA   ALA   1           HA       ALA   1  -9.072  13.497  -6.864
    5   1HB   ALA   1          HB1       ALA   1  -8.790  11.238  -8.833
    6   2HB   ALA   1          HB2       ALA   1  -9.978  12.533  -8.977
    7   3HB   ALA   1          HB3       ALA   1 -10.036  11.433  -7.600
    8    H    THR   2           HN       THR   2  -8.908  10.744  -6.224
    9    HA   THR   2           HA       THR   2  -6.128  10.221  -5.571
   10    HB   THR   2           HB       THR   2  -8.195  10.421  -3.367
   11    HG1  THR   2           HG1      THR   2  -6.233  12.231  -4.309
   12   1HG2  THR   2          HG21      THR   2  -5.450  10.511  -2.526
   13   2HG2  THR   2          HG22      THR   2  -5.724   9.075  -3.512
   14   3HG2  THR   2          HG23      THR   2  -6.712   9.363  -2.079
   15    H    CYS   3           HN       CYS   3  -6.044   8.297  -6.487
   16    HA   CYS   3           HA       CYS   3  -8.192   6.362  -6.088
   17   1HB   CYS   3          HB2       CYS   3  -5.833   6.468  -7.973
   18   2HB   CYS   3          HB1       CYS   3  -6.893   5.068  -7.841
   19    H    LYS   4           HN       LYS   4  -7.820   4.322  -5.196
   20    HA   LYS   4           HA       LYS   4  -5.176   3.698  -4.217
   21   1HB   LYS   4          HB2       LYS   4  -5.852   3.394  -1.892
   22   2HB   LYS   4          HB1       LYS   4  -6.023   5.066  -2.397
   23   1HG   LYS   4          HG2       LYS   4  -8.424   4.774  -2.612
   24   2HG   LYS   4          HG1       LYS   4  -8.266   3.073  -2.163
   25   1HD   LYS   4          HD2       LYS   4  -7.365   3.724   0.013
   26   2HD   LYS   4          HD1       LYS   4  -7.499   5.426  -0.436
   27   1HE   LYS   4          HE2       LYS   4  -9.783   3.471  -0.172
   28   2HE   LYS   4          HE1       LYS   4  -9.371   4.745   0.975
   29   1HZ   LYS   4          HZ1       LYS   4  -9.619   5.989  -1.474
   30   2HZ   LYS   4          HZ2       LYS   4 -10.707   6.064  -0.181
   31   3HZ   LYS   4          HZ3       LYS   4 -10.918   4.907  -1.397
   32    H    ALA   5           HN       ALA   5  -4.788   1.634  -3.977
   33    HA   ALA   5           HA       ALA   5  -6.806  -0.392  -3.739
   34   1HB   ALA   5          HB1       ALA   5  -5.292  -1.032  -6.124
   35   2HB   ALA   5          HB2       ALA   5  -6.228   0.448  -6.340
   36   3HB   ALA   5          HB3       ALA   5  -7.037  -1.046  -5.868
   37    H    GLU   6           HN       GLU   6  -5.829  -2.428  -3.241
   38    HA   GLU   6           HA       GLU   6  -3.387  -2.228  -1.887
   39   1HB   GLU   6          HB2       GLU   6  -4.395  -4.893  -2.791
   40   2HB   GLU   6          HB1       GLU   6  -3.690  -4.427  -1.253
   41   1HG   GLU   6          HG2       GLU   6  -5.784  -3.093  -0.825
   42   2HG   GLU   6          HG1       GLU   6  -6.476  -3.898  -2.234
   43    H    CYS   7           HN       CYS   7  -1.357  -2.920  -2.351
   44    HA   CYS   7           HA       CYS   7  -0.403  -2.622  -4.947
   45   1HB   CYS   7          HB2       CYS   7   0.963  -2.442  -2.842
   46   2HB   CYS   7          HB1       CYS   7   0.954  -4.199  -2.744
   47    HA   PRO   8           HA       PRO   8  -1.670  -6.343  -6.992
   48   1HB   PRO   8          HB2       PRO   8   0.480  -6.357  -8.792
   49   2HB   PRO   8          HB1       PRO   8  -1.084  -5.579  -9.042
   50   1HG   PRO   8          HG2       PRO   8   1.498  -4.399  -8.136
   51   2HG   PRO   8          HG1       PRO   8   0.231  -3.691  -9.156
   52   1HD   PRO   8          HD2       PRO   8   0.521  -2.969  -6.595
   53   2HD   PRO   8          HD1       PRO   8  -1.089  -3.121  -7.333
   54    H    THR   9           HN       THR   9   1.761  -5.915  -6.194
   55    HA   THR   9           HA       THR   9   2.085  -8.804  -5.975
   56    HB   THR   9           HB       THR   9   4.496  -8.244  -5.551
   57    HG1  THR   9           HG1      THR   9   3.731  -5.927  -4.962
   58   1HG2  THR   9          HG21      THR   9   4.114  -8.854  -7.753
   59   2HG2  THR   9          HG22      THR   9   4.814  -7.247  -7.940
   60   3HG2  THR   9          HG23      THR   9   3.069  -7.467  -8.063
   61    H    TRP  10           HN       TRP  10   0.347  -8.011  -4.098
   62    HA   TRP  10           HA       TRP  10   1.788  -8.548  -1.653
   63   1HB   TRP  10          HB2       TRP  10   1.743  -5.992  -2.017
   64   2HB   TRP  10          HB1       TRP  10   0.019  -6.110  -1.680
   65    HD1  TRP  10           HD1      TRP  10  -0.564  -7.285   0.823
   66    HE1  TRP  10           HE1      TRP  10   0.656  -6.906   3.063
   67    HE3  TRP  10           HE3      TRP  10   3.846  -5.433  -0.973
   68    HZ2  TRP  10           HZ2      TRP  10   3.177  -5.924   3.941
   69    HZ3  TRP  10           HZ3      TRP  10   5.602  -4.794   0.625
   70    HH2  TRP  10           HH2      TRP  10   5.270  -5.036   3.029
   71    H    ASP  11           HN       ASP  11   0.589  -9.706  -0.290
   72    HA   ASP  11           HA       ASP  11  -2.309  -9.656  -0.383
   73   1HB   ASP  11          HB2       ASP  11  -2.458 -12.132  -0.661
   74   2HB   ASP  11          HB1       ASP  11  -1.851 -11.309  -2.093
   75    H    SER  12           HN       SER  12   0.673 -10.639   1.031
   76    HA   SER  12           HA       SER  12  -0.371 -11.964   3.298
   77   1HB   SER  12          HB2       SER  12   2.355 -10.715   2.938
   78   2HB   SER  12          HB1       SER  12   1.913 -11.979   4.086
   79    HG   SER  12           HG       SER  12   1.228 -12.666   1.539
   80    H    VAL  13           HN       VAL  13   0.451 -11.204   5.528
   81    HA   VAL  13           HA       VAL  13  -0.940  -8.774   6.139
   82    HB   VAL  13           HB       VAL  13   0.619 -10.666   7.914
   83   1HG1  VAL  13          HG11      VAL  13   0.490  -9.052   9.446
   84   2HG1  VAL  13          HG12      VAL  13  -1.243  -9.375   9.482
   85   3HG1  VAL  13          HG13      VAL  13  -0.607  -8.088   8.457
   86   1HG2  VAL  13          HG21      VAL  13  -1.135 -11.978   7.348
   87   2HG2  VAL  13          HG22      VAL  13  -2.156 -10.612   6.901
   88   3HG2  VAL  13          HG23      VAL  13  -1.943 -11.035   8.600
   89    H    CYS  14           HN       CYS  14  -0.113  -6.824   6.350
   90    HA   CYS  14           HA       CYS  14   2.672  -6.322   5.928
   91   1HB   CYS  14          HB2       CYS  14   1.454  -4.626   4.994
   92   2HB   CYS  14          HB1       CYS  14   0.203  -4.700   6.231
   93    H    ILE  15           HN       ILE  15   4.213  -5.718   7.352
   94    HA   ILE  15           HA       ILE  15   3.547  -5.940  10.194
   95    HB   ILE  15           HB       ILE  15   6.271  -5.923   8.874
   96   1HG1  ILE  15          HG12      ILE  15   4.668  -8.248   9.965
   97   2HG1  ILE  15          HG11      ILE  15   4.880  -7.886   8.255
   98   1HG2  ILE  15          HG21      ILE  15   7.188  -6.493  10.966
   99   2HG2  ILE  15          HG22      ILE  15   5.604  -6.842  11.658
  100   3HG2  ILE  15          HG23      ILE  15   6.063  -5.177  11.302
  101   1HD1  ILE  15          HD11      ILE  15   6.435  -9.568   9.755
  102   2HD1  ILE  15          HD12      ILE  15   7.399  -8.093   9.690
  103   3HD1  ILE  15          HD13      ILE  15   6.873  -8.869   8.196
  104    H    ASN  16           HN       ASN  16   5.046  -3.774   7.846
  105    HA   ASN  16           HA       ASN  16   4.594  -1.548   9.666
  106   1HB   ASN  16          HB2       ASN  16   6.914  -2.236  10.109
  107   2HB   ASN  16          HB1       ASN  16   7.291  -2.093   8.396
  108   1HD2  ASN  16          HD21      ASN  16   8.719  -0.471   8.390
  109   2HD2  ASN  16          HD22      ASN  16   8.417   1.116   9.002
  110    H    LYS  17           HN       LYS  17   4.650   0.533   8.587
  111    HA   LYS  17           HA       LYS  17   3.296   0.499   6.126
  112   1HB   LYS  17          HB2       LYS  17   3.145   2.275   7.899
  113   2HB   LYS  17          HB1       LYS  17   4.706   2.869   7.352
  114   1HG   LYS  17          HG2       LYS  17   3.755   3.307   5.133
  115   2HG   LYS  17          HG1       LYS  17   2.186   2.738   5.704
  116   1HD   LYS  17          HD2       LYS  17   2.310   4.517   7.486
  117   2HD   LYS  17          HD1       LYS  17   3.723   5.153   6.643
  118   1HE   LYS  17          HE2       LYS  17   0.952   4.854   5.483
  119   2HE   LYS  17          HE1       LYS  17   1.686   6.362   6.023
  120   1HZ   LYS  17          HZ1       LYS  17   2.463   4.680   3.712
  121   2HZ   LYS  17          HZ2       LYS  17   3.459   5.906   4.318
  122   3HZ   LYS  17          HZ3       LYS  17   1.932   6.291   3.690
  123    H    LYS  18           HN       LYS  18   6.718   0.944   6.862
  124    HA   LYS  18           HA       LYS  18   7.613   2.105   4.529
  125   1HB   LYS  18          HB2       LYS  18   9.057   1.692   6.473
  126   2HB   LYS  18          HB1       LYS  18   9.061  -0.028   6.106
  127   1HG   LYS  18          HG2       LYS  18  10.171   0.417   3.982
  128   2HG   LYS  18          HG1       LYS  18  10.149   2.147   4.327
  129   1HD   LYS  18          HD2       LYS  18  11.547   1.763   6.305
  130   2HD   LYS  18          HD1       LYS  18  11.574   0.034   5.946
  131   1HE   LYS  18          HE2       LYS  18  12.671   0.498   3.808
  132   2HE   LYS  18          HE1       LYS  18  12.641   2.224   4.165
  133   1HZ   LYS  18          HZ1       LYS  18  14.130   0.132   5.654
  134   2HZ   LYS  18          HZ2       LYS  18  14.022   1.750   6.136
  135   3HZ   LYS  18          HZ3       LYS  18  14.791   1.350   4.683
  136    HA   PRO  19           HA       PRO  19   8.241  -2.373   2.479
  137   1HB   PRO  19          HB2       PRO  19   5.954  -3.650   3.921
  138   2HB   PRO  19          HB1       PRO  19   7.446  -4.384   3.326
  139   1HG   PRO  19          HG2       PRO  19   7.164  -3.894   5.906
  140   2HG   PRO  19          HG1       PRO  19   8.710  -3.550   5.104
  141   1HD   PRO  19          HD2       PRO  19   6.553  -1.664   5.956
  142   2HD   PRO  19          HD1       PRO  19   8.315  -1.461   6.010
  143    H    CYS  20           HN       CYS  20   5.055  -1.365   3.629
  144    HA   CYS  20           HA       CYS  20   3.593  -2.011   1.317
  145   1HB   CYS  20          HB2       CYS  20   2.568  -1.577   3.518
  146   2HB   CYS  20          HB1       CYS  20   3.038   0.114   3.401
  147    H    VAL  21           HN       VAL  21   5.024   1.061   2.409
  148    HA   VAL  21           HA       VAL  21   4.254   2.638   0.228
  149    HB   VAL  21           HB       VAL  21   6.755   2.897   1.917
  150   1HG1  VAL  21          HG11      VAL  21   5.386   4.875   0.099
  151   2HG1  VAL  21          HG12      VAL  21   7.001   4.195  -0.094
  152   3HG1  VAL  21          HG13      VAL  21   6.659   5.287   1.248
  153   1HG2  VAL  21          HG21      VAL  21   4.297   2.959   2.904
  154   2HG2  VAL  21          HG22      VAL  21   4.363   4.614   2.298
  155   3HG2  VAL  21          HG23      VAL  21   5.556   4.056   3.471
  156    H    ALA  22           HN       ALA  22   7.036   0.512   0.675
  157    HA   ALA  22           HA       ALA  22   8.448   1.252  -1.651
  158   1HB   ALA  22          HB1       ALA  22   9.429  -1.100  -1.422
  159   2HB   ALA  22          HB2       ALA  22   8.420  -1.246   0.017
  160   3HB   ALA  22          HB3       ALA  22   9.656   0.010  -0.070
  161    H    CYS  23           HN       CYS  23   6.047  -1.293  -1.053
  162    HA   CYS  23           HA       CYS  23   6.037  -2.409  -3.643
  163   1HB   CYS  23          HB2       CYS  23   4.950  -3.245  -1.413
  164   2HB   CYS  23          HB1       CYS  23   3.572  -2.282  -1.924
  165    H    CYS  24           HN       CYS  24   4.119   0.118  -2.130
  166    HA   CYS  24           HA       CYS  24   2.431   0.634  -4.323
  167   1HB   CYS  24          HB2       CYS  24   3.241   2.365  -1.988
  168   2HB   CYS  24          HB1       CYS  24   1.927   2.738  -3.098
  169    H    LYS  25           HN       LYS  25   5.492   2.111  -3.307
  170    HA   LYS  25           HA       LYS  25   5.480   4.181  -5.202
  171   1HB   LYS  25          HB2       LYS  25   6.980   3.941  -3.164
  172   2HB   LYS  25          HB1       LYS  25   7.964   2.853  -4.132
  173   1HG   LYS  25          HG2       LYS  25   8.777   5.212  -4.033
  174   2HG   LYS  25          HG1       LYS  25   8.525   4.582  -5.661
  175   1HD   LYS  25          HD2       LYS  25   7.692   6.893  -5.392
  176   2HD   LYS  25          HD1       LYS  25   6.419   5.758  -5.836
  177   1HE   LYS  25          HE2       LYS  25   5.588   7.246  -4.138
  178   2HE   LYS  25          HE1       LYS  25   5.758   5.632  -3.452
  179   1HZ   LYS  25          HZ1       LYS  25   6.583   7.627  -2.109
  180   2HZ   LYS  25          HZ2       LYS  25   7.910   7.627  -3.160
  181   3HZ   LYS  25          HZ3       LYS  25   7.586   6.267  -2.209
  182    H    LYS  26           HN       LYS  26   6.875   0.900  -5.372
  183    HA   LYS  26           HA       LYS  26   7.941   1.253  -7.983
  184   1HB   LYS  26          HB2       LYS  26   8.175  -1.181  -8.054
  185   2HB   LYS  26          HB1       LYS  26   8.740  -0.546  -6.515
  186   1HG   LYS  26          HG2       LYS  26   6.826  -1.324  -5.382
  187   2HG   LYS  26          HG1       LYS  26   5.984  -1.664  -6.892
  188   1HD   LYS  26          HD2       LYS  26   7.613  -3.432  -7.388
  189   2HD   LYS  26          HD1       LYS  26   8.428  -3.097  -5.856
  190   1HE   LYS  26          HE2       LYS  26   6.505  -3.754  -4.606
  191   2HE   LYS  26          HE1       LYS  26   5.522  -3.856  -6.064
  192   1HZ   LYS  26          HZ1       LYS  26   7.460  -5.745  -4.994
  193   2HZ   LYS  26          HZ2       LYS  26   7.410  -5.588  -6.678
  194   3HZ   LYS  26          HZ3       LYS  26   6.011  -6.025  -5.827
  195    H    ALA  27           HN       ALA  27   4.789   0.430  -6.754
  196    HA   ALA  27           HA       ALA  27   3.772  -0.505  -9.284
  197   1HB   ALA  27          HB1       ALA  27   1.633   0.163  -7.571
  198   2HB   ALA  27          HB2       ALA  27   2.903  -0.537  -6.568
  199   3HB   ALA  27          HB3       ALA  27   2.271  -1.438  -7.946
  200    H    LYS  28           HN       LYS  28   4.751   2.415  -8.493
  201    HA   LYS  28           HA       LYS  28   4.464   4.469  -9.396
  202   1HB   LYS  28          HB2       LYS  28   3.857   3.144 -11.447
  203   2HB   LYS  28          HB1       LYS  28   2.172   3.315 -10.988
  204   1HG   LYS  28          HG2       LYS  28   2.277   5.695 -11.270
  205   2HG   LYS  28          HG1       LYS  28   4.020   5.626 -11.545
  206   1HD   LYS  28          HD2       LYS  28   2.735   5.849 -13.645
  207   2HD   LYS  28          HD1       LYS  28   3.685   4.363 -13.584
  208   1HE   LYS  28          HE2       LYS  28   1.633   3.162 -12.834
  209   2HE   LYS  28          HE1       LYS  28   0.723   4.650 -13.091
  210   1HZ   LYS  28          HZ1       LYS  28   0.458   3.350 -15.022
  211   2HZ   LYS  28          HZ2       LYS  28   2.109   2.997 -15.122
  212   3HZ   LYS  28          HZ3       LYS  28   1.560   4.565 -15.443
  213    H    PHE  29           HN       PHE  29   3.226   3.770  -6.940
  214    HA   PHE  29           HA       PHE  29   0.885   5.562  -6.972
  215   1HB   PHE  29          HB2       PHE  29   1.524   3.260  -5.127
  216   2HB   PHE  29          HB1       PHE  29   0.330   4.488  -4.721
  217    HD1  PHE  29           HD1      PHE  29  -1.878   4.240  -5.428
  218    HD2  PHE  29           HD2      PHE  29   1.187   1.986  -7.337
  219    HE1  PHE  29           HE1      PHE  29  -3.583   2.957  -6.648
  220    HE2  PHE  29           HE2      PHE  29  -0.516   0.707  -8.566
  221    HZ   PHE  29           HZ       PHE  29  -2.905   1.190  -8.221
  222    H    SER  30           HN       SER  30   0.787   7.185  -5.413
  223    HA   SER  30           HA       SER  30   3.289   8.308  -4.711
  224   1HB   SER  30          HB2       SER  30   0.693   9.250  -3.555
  225   2HB   SER  30          HB1       SER  30   2.070  10.196  -4.124
  226    HG   SER  30           HG       SER  30   1.443   9.890  -6.196
  227    H    ASP  31           HN       ASP  31   0.704   6.821  -2.796
  228    HA   ASP  31           HA       ASP  31   2.592   6.600  -0.541
  229   1HB   ASP  31          HB2       ASP  31   1.161   8.417   0.070
  230   2HB   ASP  31          HB1       ASP  31  -0.274   7.558  -0.474
  231    H    GLY  32           HN       GLY  32   1.928   5.012   1.061
  232   1HA   GLY  32          HA2       GLY  32   0.134   2.909   0.125
  233   2HA   GLY  32          HA1       GLY  32   1.820   2.466   0.417
  234    H    HIS  33           HN       HIS  33  -1.050   2.221   1.763
  235    HA   HIS  33           HA       HIS  33   0.037   2.421   4.486
  236   1HB   HIS  33          HB2       HIS  33  -2.215   3.234   5.254
  237   2HB   HIS  33          HB1       HIS  33  -1.315   4.388   4.279
  238    HD1  HIS  33           HD1      HIS  33  -2.122   4.533   1.678
  239    HD2  HIS  33           HD2      HIS  33  -4.722   2.676   4.344
  240    HE1  HIS  33           HE1      HIS  33  -4.328   4.375   0.483
  241    H    CYS  34           HN       CYS  34  -0.349   0.715   5.712
  242    HA   CYS  34           HA       CYS  34  -1.594  -1.585   4.574
  243   1HB   CYS  34          HB2       CYS  34  -0.630  -1.173   7.408
  244   2HB   CYS  34          HB1       CYS  34  -0.900  -2.714   6.596
  245    H    SER  35           HN       SER  35  -3.589  -2.295   4.792
  246    HA   SER  35           HA       SER  35  -5.620  -0.708   5.930
  247   1HB   SER  35          HB2       SER  35  -5.943  -2.227   3.994
  248   2HB   SER  35          HB1       SER  35  -5.744  -3.609   5.069
  249    HG   SER  35           HG       SER  35  -7.971  -2.478   4.500
  250    H    LYS  36           HN       LYS  36  -7.244  -1.574   7.458
  251    HA   LYS  36           HA       LYS  36  -5.917  -2.471   9.880
  252   1HB   LYS  36          HB2       LYS  36  -7.352  -0.589  10.170
  253   2HB   LYS  36          HB1       LYS  36  -8.662  -1.362   9.290
  254   1HG   LYS  36          HG2       LYS  36  -8.950  -2.968  11.083
  255   2HG   LYS  36          HG1       LYS  36  -7.601  -2.247  11.964
  256   1HD   LYS  36          HD2       LYS  36  -9.671  -1.428  12.890
  257   2HD   LYS  36          HD1       LYS  36  -8.858  -0.109  12.047
  258   1HE   LYS  36          HE2       LYS  36 -10.310  -0.438  10.114
  259   2HE   LYS  36          HE1       LYS  36 -11.109  -1.780  10.933
  260   1HZ   LYS  36          HZ1       LYS  36 -11.082   1.030  11.898
  261   2HZ   LYS  36          HZ2       LYS  36 -11.905  -0.263  12.613
  262   3HZ   LYS  36          HZ3       LYS  36 -12.372   0.294  11.086
  263    H    ILE  37           HN       ILE  37  -8.037  -3.668   7.431
  264    HA   ILE  37           HA       ILE  37  -9.209  -5.791   8.899
  265    HB   ILE  37           HB       ILE  37  -8.795  -5.830   5.927
  266   1HG1  ILE  37          HG12      ILE  37 -11.049  -4.400   7.340
  267   2HG1  ILE  37          HG11      ILE  37  -9.636  -3.577   6.685
  268   1HG2  ILE  37          HG21      ILE  37  -9.933  -7.740   6.280
  269   2HG2  ILE  37          HG22      ILE  37 -11.332  -6.675   6.418
  270   3HG2  ILE  37          HG23      ILE  37 -10.495  -7.225   7.870
  271   1HD1  ILE  37          HD11      ILE  37 -11.998  -4.618   5.331
  272   2HD1  ILE  37          HD12      ILE  37 -10.477  -5.053   4.549
  273   3HD1  ILE  37          HD13      ILE  37 -10.868  -3.356   4.840
  274    H    LEU  38           HN       LEU  38  -7.752  -6.930   6.017
  275    HA   LEU  38           HA       LEU  38  -6.348  -8.983   7.462
  276   1HB   LEU  38          HB2       LEU  38  -7.574  -9.283   5.268
  277   2HB   LEU  38          HB1       LEU  38  -6.247  -8.436   4.502
  278    HG   LEU  38           HG       LEU  38  -4.694 -10.161   5.349
  279   1HD1  LEU  38          HD11      LEU  38  -5.529 -12.227   6.261
  280   2HD1  LEU  38          HD12      LEU  38  -7.193 -11.658   6.123
  281   3HD1  LEU  38          HD13      LEU  38  -6.088 -10.885   7.259
  282   1HD2  LEU  38          HD21      LEU  38  -6.980 -11.120   3.633
  283   2HD2  LEU  38          HD22      LEU  38  -5.428 -11.943   3.790
  284   3HD2  LEU  38          HD23      LEU  38  -5.502 -10.327   3.087
  285    H    ARG  39           HN       ARG  39  -5.574  -6.018   7.294
  286    HA   ARG  39           HA       ARG  39  -3.717  -4.737   7.399
  287   1HB   ARG  39          HB2       ARG  39  -3.153  -6.721   8.940
  288   2HB   ARG  39          HB1       ARG  39  -2.117  -7.274   7.634
  289   1HG   ARG  39          HG2       ARG  39  -0.888  -6.030   9.339
  290   2HG   ARG  39          HG1       ARG  39  -0.816  -5.245   7.759
  291   1HD   ARG  39          HD2       ARG  39  -2.531  -3.672   8.432
  292   2HD   ARG  39          HD1       ARG  39  -2.705  -4.490   9.985
  293    HE   ARG  39           HE       ARG  39  -0.054  -3.794   9.837
  294   1HH1  ARG  39          HH11      ARG  39  -3.081  -2.064   9.613
  295   2HH1  ARG  39          HH12      ARG  39  -2.474  -0.627  10.366
  296   1HH2  ARG  39          HH21      ARG  39   0.775  -1.899  10.828
  297   2HH2  ARG  39          HH22      ARG  39  -0.264  -0.533  11.064
  298    H    ARG  40           HN       ARG  40  -4.655  -5.748   4.833
  299    HA   ARG  40           HA       ARG  40  -2.417  -6.321   3.169
  300   1HB   ARG  40          HB2       ARG  40  -5.273  -5.553   2.661
  301   2HB   ARG  40          HB1       ARG  40  -4.118  -5.656   1.337
  302   1HG   ARG  40          HG2       ARG  40  -3.734  -7.960   1.737
  303   2HG   ARG  40          HG1       ARG  40  -4.620  -7.906   3.261
  304   1HD   ARG  40          HD2       ARG  40  -6.682  -7.773   2.201
  305   2HD   ARG  40          HD1       ARG  40  -5.977  -7.198   0.689
  306    HE   ARG  40           HE       ARG  40  -6.221  -9.934   1.576
  307   1HH1  ARG  40          HH11      ARG  40  -4.965  -7.702  -0.787
  308   2HH1  ARG  40          HH12      ARG  40  -4.215  -8.937  -1.760
  309   1HH2  ARG  40          HH21      ARG  40  -5.273 -11.596   0.278
  310   2HH2  ARG  40          HH22      ARG  40  -4.409 -11.161  -1.158
  311    H    CYS  41           HN       CYS  41  -1.355  -4.986   1.709
  312    HA   CYS  41           HA       CYS  41  -1.011  -2.281   2.592
  313   1HB   CYS  41          HB2       CYS  41   0.926  -3.538   1.928
  314   2HB   CYS  41          HB1       CYS  41   0.226  -3.883   0.352
  315    H    LEU  42           HN       LEU  42  -2.478  -0.777   2.046
  316    HA   LEU  42           HA       LEU  42  -3.719  -0.834  -0.603
  317   1HB   LEU  42          HB2       LEU  42  -4.339   0.491   1.986
  318   2HB   LEU  42          HB1       LEU  42  -4.829   1.330   0.526
  319    HG   LEU  42           HG       LEU  42  -6.121  -0.690  -0.146
  320   1HD1  LEU  42          HD11      LEU  42  -4.714  -2.253   1.271
  321   2HD1  LEU  42          HD12      LEU  42  -6.458  -2.515   1.293
  322   3HD1  LEU  42          HD13      LEU  42  -5.672  -1.701   2.645
  323   1HD2  LEU  42          HD21      LEU  42  -7.879   0.245   0.834
  324   2HD2  LEU  42          HD22      LEU  42  -6.749   1.264   1.726
  325   3HD2  LEU  42          HD23      LEU  42  -7.327  -0.242   2.437
  326    H    CYS  43           HN       CYS  43  -2.908   0.333  -2.201
  327    HA   CYS  43           HA       CYS  43  -0.920   2.379  -1.585
  328   1HB   CYS  43          HB2       CYS  43  -1.664   1.030  -4.183
  329   2HB   CYS  43          HB1       CYS  43  -0.350   2.186  -3.977
  330    H    THR  44           HN       THR  44  -1.271   4.476  -1.843
  331    HA   THR  44           HA       THR  44  -3.757   5.337  -3.170
  332    HB   THR  44           HB       THR  44  -2.618   7.458  -1.676
  333    HG1  THR  44           HG1      THR  44  -1.898   6.525   0.102
  334   1HG2  THR  44          HG21      THR  44  -5.015   7.053  -2.200
  335   2HG2  THR  44          HG22      THR  44  -4.719   7.424  -0.501
  336   3HG2  THR  44          HG23      THR  44  -5.018   5.759  -1.001
  337    H    LYS  45           HN       LYS  45  -3.671   7.057  -4.617
  338    HA   LYS  45           HA       LYS  45  -1.230   8.457  -5.163
  339   1HB   LYS  45          HB2       LYS  45  -0.812   7.671  -7.388
  340   2HB   LYS  45          HB1       LYS  45  -0.850   6.269  -6.329
  341   1HG   LYS  45          HG2       LYS  45  -3.026   5.658  -7.094
  342   2HG   LYS  45          HG1       LYS  45  -3.196   7.170  -7.984
  343   1HD   LYS  45          HD2       LYS  45  -1.010   5.196  -8.594
  344   2HD   LYS  45          HD1       LYS  45  -2.612   5.067  -9.319
  345   1HE   LYS  45          HE2       LYS  45  -1.373   6.248 -10.905
  346   2HE   LYS  45          HE1       LYS  45  -2.266   7.502 -10.049
  347   1HZ   LYS  45          HZ1       LYS  45   0.196   7.881 -10.504
  348   2HZ   LYS  45          HZ2       LYS  45   0.486   6.781  -9.251
  349   3HZ   LYS  45          HZ3       LYS  45  -0.369   8.217  -8.945
  350    H    GLU  46           HN       GLU  46  -1.482   9.835  -7.143
  351    HA   GLU  46           HA       GLU  46  -4.050  11.134  -7.031
  352   1HB   GLU  46          HB2       GLU  46  -2.802  12.542  -8.927
  353   2HB   GLU  46          HB1       GLU  46  -2.555  12.819  -7.216
  354   1HG   GLU  46          HG2       GLU  46  -0.518  12.767  -8.749
  355   2HG   GLU  46          HG1       GLU  46  -0.438  11.882  -7.236
  356    H    CYS  47           HN       CYS  47  -5.369  11.574  -8.846
  357    HA   CYS  47           HA       CYS  47  -4.976  10.358 -11.372
  358   1HB   CYS  47          HB2       CYS  47  -6.851   8.731 -11.257
  359   2HB   CYS  47          HB1       CYS  47  -5.503   8.288 -10.218
  Start of MODEL   19
    1   1H    ALA   1          HT1       ALA   1 -11.778  11.059 -11.539
    2   2H    ALA   1          HT2       ALA   1 -10.856   9.650 -11.414
    3   3H    ALA   1          HT3       ALA   1 -10.139  11.152 -11.119
    4    HA   ALA   1           HA       ALA   1 -11.586  11.465  -9.189
    5   1HB   ALA   1          HB1       ALA   1 -12.957   9.284 -10.386
    6   2HB   ALA   1          HB2       ALA   1 -13.419  10.235  -8.974
    7   3HB   ALA   1          HB3       ALA   1 -12.424   8.792  -8.779
    8    H    THR   2           HN       THR   2 -11.490   9.079  -7.479
    9    HA   THR   2           HA       THR   2  -8.589   9.030  -7.081
   10    HB   THR   2           HB       THR   2 -10.694   8.030  -5.158
   11    HG1  THR   2           HG1      THR   2  -9.955  10.298  -4.249
   12   1HG2  THR   2          HG21      THR   2  -8.144   9.222  -4.253
   13   2HG2  THR   2          HG22      THR   2  -8.023   7.668  -5.079
   14   3HG2  THR   2          HG23      THR   2  -9.023   7.824  -3.635
   15    H    CYS   3           HN       CYS   3  -7.609   7.354  -8.017
   16    HA   CYS   3           HA       CYS   3  -9.065   4.878  -8.446
   17   1HB   CYS   3          HB2       CYS   3  -6.471   5.991  -9.466
   18   2HB   CYS   3          HB1       CYS   3  -6.825   4.269  -9.624
   19    H    LYS   4           HN       LYS   4  -8.771   3.041  -7.397
   20    HA   LYS   4           HA       LYS   4  -6.615   2.884  -5.388
   21   1HB   LYS   4          HB2       LYS   4  -8.959   3.220  -4.474
   22   2HB   LYS   4          HB1       LYS   4  -9.381   1.663  -5.161
   23   1HG   LYS   4          HG2       LYS   4  -7.196   2.036  -3.123
   24   2HG   LYS   4          HG1       LYS   4  -8.868   1.676  -2.704
   25   1HD   LYS   4          HD2       LYS   4  -7.034  -0.048  -4.373
   26   2HD   LYS   4          HD1       LYS   4  -7.512  -0.350  -2.703
   27   1HE   LYS   4          HE2       LYS   4  -9.784  -0.720  -3.347
   28   2HE   LYS   4          HE1       LYS   4  -9.466  -0.167  -4.991
   29   1HZ   LYS   4          HZ1       LYS   4  -9.552  -2.694  -4.464
   30   2HZ   LYS   4          HZ2       LYS   4  -7.963  -2.469  -3.924
   31   3HZ   LYS   4          HZ3       LYS   4  -8.377  -2.104  -5.525
   32    H    ALA   5           HN       ALA   5  -5.361   1.148  -5.498
   33    HA   ALA   5           HA       ALA   5  -6.249  -1.375  -6.543
   34   1HB   ALA   5          HB1       ALA   5  -5.552   0.195  -8.545
   35   2HB   ALA   5          HB2       ALA   5  -5.081  -1.505  -8.521
   36   3HB   ALA   5          HB3       ALA   5  -3.923  -0.262  -8.045
   37    H    GLU   6           HN       GLU   6  -5.065  -2.979  -5.602
   38    HA   GLU   6           HA       GLU   6  -3.225  -2.300  -3.573
   39   1HB   GLU   6          HB2       GLU   6  -3.752  -5.003  -4.841
   40   2HB   GLU   6          HB1       GLU   6  -2.811  -4.739  -3.392
   41   1HG   GLU   6          HG2       GLU   6  -5.082  -5.543  -2.924
   42   2HG   GLU   6          HG1       GLU   6  -4.737  -3.983  -2.187
   43    H    CYS   7           HN       CYS   7  -1.036  -2.362  -3.519
   44    HA   CYS   7           HA       CYS   7   0.410  -1.740  -5.800
   45   1HB   CYS   7          HB2       CYS   7   1.187  -1.359  -3.446
   46   2HB   CYS   7          HB1       CYS   7   1.567  -3.076  -3.340
   47    HA   PRO   8           HA       PRO   8   0.508  -5.572  -8.046
   48   1HB   PRO   8          HB2       PRO   8   2.944  -4.314  -9.213
   49   2HB   PRO   8          HB1       PRO   8   1.536  -5.008 -10.025
   50   1HG   PRO   8          HG2       PRO   8   1.848  -2.370  -9.876
   51   2HG   PRO   8          HG1       PRO   8   0.245  -3.108  -9.697
   52   1HD   PRO   8          HD2       PRO   8   2.062  -1.987  -7.609
   53   2HD   PRO   8          HD1       PRO   8   0.291  -1.927  -7.715
   54    H    THR   9           HN       THR   9   3.532  -4.197  -6.800
   55    HA   THR   9           HA       THR   9   4.676  -6.859  -6.558
   56    HB   THR   9           HB       THR   9   6.701  -5.587  -5.716
   57    HG1  THR   9           HG1      THR   9   5.278  -3.649  -5.254
   58   1HG2  THR   9          HG21      THR   9   6.094  -6.282  -8.170
   59   2HG2  THR   9          HG22      THR   9   7.476  -5.230  -7.860
   60   3HG2  THR   9          HG23      THR   9   5.949  -4.541  -8.411
   61    H    TRP  10           HN       TRP  10   2.485  -6.622  -4.947
   62    HA   TRP  10           HA       TRP  10   3.724  -6.738  -2.302
   63   1HB   TRP  10          HB2       TRP  10   2.690  -4.475  -2.569
   64   2HB   TRP  10          HB1       TRP  10   1.133  -5.261  -2.812
   65    HD1  TRP  10           HD1      TRP  10   0.058  -6.534  -0.668
   66    HE1  TRP  10           HE1      TRP  10   0.413  -6.157   1.868
   67    HE3  TRP  10           HE3      TRP  10   4.328  -3.732  -0.857
   68    HZ2  TRP  10           HZ2      TRP  10   2.261  -4.801   3.548
   69    HZ3  TRP  10           HZ3      TRP  10   5.305  -2.914   1.244
   70    HH2  TRP  10           HH2      TRP  10   4.294  -3.444   3.398
   71    H    ASP  11           HN       ASP  11   3.247  -8.595  -1.409
   72    HA   ASP  11           HA       ASP  11   0.569  -9.677  -1.538
   73   1HB   ASP  11          HB2       ASP  11   1.973 -10.603  -3.524
   74   2HB   ASP  11          HB1       ASP  11   2.817 -11.535  -2.288
   75    H    SER  12           HN       SER  12   1.435  -8.617   0.611
   76    HA   SER  12           HA       SER  12   1.969 -10.831   2.403
   77   1HB   SER  12          HB2       SER  12   3.753  -8.382   2.335
   78   2HB   SER  12          HB1       SER  12   3.839  -9.686   3.520
   79    HG   SER  12           HG       SER  12   3.924 -10.796   1.117
   80    H    VAL  13           HN       VAL  13   2.060  -9.857   4.752
   81    HA   VAL  13           HA       VAL  13  -0.436  -8.494   5.124
   82    HB   VAL  13           HB       VAL  13   1.630  -9.379   7.148
   83   1HG1  VAL  13          HG11      VAL  13  -0.896  -7.926   7.413
   84   2HG1  VAL  13          HG12      VAL  13   0.451  -8.079   8.540
   85   3HG1  VAL  13          HG13      VAL  13  -0.768  -9.350   8.446
   86   1HG2  VAL  13          HG21      VAL  13   0.926 -11.382   6.322
   87   2HG2  VAL  13          HG22      VAL  13  -0.634 -10.746   5.801
   88   3HG2  VAL  13          HG23      VAL  13  -0.352 -11.103   7.505
   89    H    CYS  14           HN       CYS  14  -0.657  -6.378   5.078
   90    HA   CYS  14           HA       CYS  14   1.623  -4.621   5.506
   91   1HB   CYS  14          HB2       CYS  14  -0.103  -4.360   3.629
   92   2HB   CYS  14          HB1       CYS  14  -1.221  -3.821   4.874
   93    H    ILE  15           HN       ILE  15   2.060  -3.951   7.505
   94    HA   ILE  15           HA       ILE  15  -0.169  -3.673   9.410
   95    HB   ILE  15           HB       ILE  15   2.749  -4.163  10.041
   96   1HG1  ILE  15          HG12      ILE  15   0.381  -6.038  10.256
   97   2HG1  ILE  15          HG11      ILE  15   1.621  -6.118   9.010
   98   1HG2  ILE  15          HG21      ILE  15   0.472  -4.405  11.973
   99   2HG2  ILE  15          HG22      ILE  15   1.245  -2.847  11.677
  100   3HG2  ILE  15          HG23      ILE  15   2.193  -4.198  12.299
  101   1HD1  ILE  15          HD11      ILE  15   3.152  -7.034  10.404
  102   2HD1  ILE  15          HD12      ILE  15   1.686  -7.619  11.190
  103   3HD1  ILE  15          HD13      ILE  15   2.523  -6.203  11.827
  104    H    ASN  16           HN       ASN  16   3.027  -2.339   8.609
  105    HA   ASN  16           HA       ASN  16   2.306   0.169   9.888
  106   1HB   ASN  16          HB2       ASN  16   4.542  -0.766  10.321
  107   2HB   ASN  16          HB1       ASN  16   4.914  -0.678   8.603
  108   1HD2  ASN  16          HD21      ASN  16   6.605   0.726   8.782
  109   2HD2  ASN  16          HD22      ASN  16   6.436   2.365   9.302
  110    H    LYS  17           HN       LYS  17   2.134   2.097   8.852
  111    HA   LYS  17           HA       LYS  17   0.982   2.135   6.306
  112   1HB   LYS  17          HB2       LYS  17   0.606   3.785   8.118
  113   2HB   LYS  17          HB1       LYS  17   2.215   4.428   7.841
  114   1HG   LYS  17          HG2       LYS  17   0.803   5.913   6.747
  115   2HG   LYS  17          HG1       LYS  17   1.418   4.884   5.453
  116   1HD   LYS  17          HD2       LYS  17  -0.603   3.715   5.266
  117   2HD   LYS  17          HD1       LYS  17  -1.171   4.270   6.843
  118   1HE   LYS  17          HE2       LYS  17  -2.355   5.419   5.054
  119   2HE   LYS  17          HE1       LYS  17  -1.361   6.551   5.968
  120   1HZ   LYS  17          HZ1       LYS  17  -0.379   5.302   3.477
  121   2HZ   LYS  17          HZ2       LYS  17   0.166   6.712   4.233
  122   3HZ   LYS  17          HZ3       LYS  17  -1.326   6.706   3.434
  123    H    LYS  18           HN       LYS  18   4.276   3.002   7.326
  124    HA   LYS  18           HA       LYS  18   5.216   4.178   5.033
  125   1HB   LYS  18          HB2       LYS  18   6.480   4.087   7.129
  126   2HB   LYS  18          HB1       LYS  18   6.800   2.379   6.864
  127   1HG   LYS  18          HG2       LYS  18   8.062   2.911   4.850
  128   2HG   LYS  18          HG1       LYS  18   7.718   4.626   5.080
  129   1HD   LYS  18          HD2       LYS  18   8.922   4.573   7.216
  130   2HD   LYS  18          HD1       LYS  18   9.275   2.862   6.970
  131   1HE   LYS  18          HE2       LYS  18  10.523   3.410   4.939
  132   2HE   LYS  18          HE1       LYS  18  10.161   5.119   5.174
  133   1HZ   LYS  18          HZ1       LYS  18  11.462   5.157   7.144
  134   2HZ   LYS  18          HZ2       LYS  18  12.400   4.414   5.949
  135   3HZ   LYS  18          HZ3       LYS  18  11.654   3.475   7.142
  136    HA   PRO  19           HA       PRO  19   6.836  -0.228   3.351
  137   1HB   PRO  19          HB2       PRO  19   4.451  -1.695   4.418
  138   2HB   PRO  19          HB1       PRO  19   6.076  -2.303   4.087
  139   1HG   PRO  19          HG2       PRO  19   5.360  -1.786   6.573
  140   2HG   PRO  19          HG1       PRO  19   6.971  -1.306   6.003
  141   1HD   PRO  19          HD2       PRO  19   4.550   0.374   6.481
  142   2HD   PRO  19          HD1       PRO  19   6.262   0.760   6.742
  143    H    CYS  20           HN       CYS  20   3.344   0.256   3.789
  144    HA   CYS  20           HA       CYS  20   2.623  -0.549   1.185
  145   1HB   CYS  20          HB2       CYS  20   1.096  -0.408   3.187
  146   2HB   CYS  20          HB1       CYS  20   1.093   1.340   2.985
  147    H    VAL  21           HN       VAL  21   3.066   2.683   2.629
  148    HA   VAL  21           HA       VAL  21   2.472   4.204   0.359
  149    HB   VAL  21           HB       VAL  21   4.468   4.862   2.542
  150   1HG1  VAL  21          HG11      VAL  21   3.560   6.325   0.184
  151   2HG1  VAL  21          HG12      VAL  21   4.952   6.609   1.229
  152   3HG1  VAL  21          HG13      VAL  21   3.365   7.224   1.689
  153   1HG2  VAL  21          HG21      VAL  21   1.767   6.059   2.498
  154   2HG2  VAL  21          HG22      VAL  21   2.774   5.574   3.862
  155   3HG2  VAL  21          HG23      VAL  21   1.874   4.359   2.954
  156    H    ALA  22           HN       ALA  22   5.486   2.669   1.375
  157    HA   ALA  22           HA       ALA  22   7.160   3.813  -0.584
  158   1HB   ALA  22          HB1       ALA  22   7.823   1.066   0.181
  159   2HB   ALA  22          HB2       ALA  22   7.538   2.146   1.545
  160   3HB   ALA  22          HB3       ALA  22   8.764   2.549   0.343
  161    H    CYS  23           HN       CYS  23   5.392   0.724  -0.526
  162    HA   CYS  23           HA       CYS  23   6.147  -0.178  -3.081
  163   1HB   CYS  23          HB2       CYS  23   4.885  -1.399  -1.150
  164   2HB   CYS  23          HB1       CYS  23   3.438  -0.751  -1.906
  165    H    CYS  24           HN       CYS  24   3.401   1.727  -1.975
  166    HA   CYS  24           HA       CYS  24   2.132   1.960  -4.484
  167   1HB   CYS  24          HB2       CYS  24   1.968   3.667  -2.002
  168   2HB   CYS  24          HB1       CYS  24   0.896   3.833  -3.384
  169    H    LYS  25           HN       LYS  25   4.554   3.957  -2.855
  170    HA   LYS  25           HA       LYS  25   4.396   6.132  -4.637
  171   1HB   LYS  25          HB2       LYS  25   5.545   5.964  -2.322
  172   2HB   LYS  25          HB1       LYS  25   6.934   5.376  -3.225
  173   1HG   LYS  25          HG2       LYS  25   6.887   7.847  -2.692
  174   2HG   LYS  25          HG1       LYS  25   7.188   7.410  -4.374
  175   1HD   LYS  25          HD2       LYS  25   5.599   9.298  -4.126
  176   2HD   LYS  25          HD1       LYS  25   4.904   7.914  -4.965
  177   1HE   LYS  25          HE2       LYS  25   3.253   8.707  -3.456
  178   2HE   LYS  25          HE1       LYS  25   3.894   7.216  -2.774
  179   1HZ   LYS  25          HZ1       LYS  25   4.861   8.310  -1.057
  180   2HZ   LYS  25          HZ2       LYS  25   3.575   9.372  -1.338
  181   3HZ   LYS  25          HZ3       LYS  25   5.116   9.735  -1.934
  182    H    LYS  26           HN       LYS  26   6.496   3.248  -4.639
  183    HA   LYS  26           HA       LYS  26   7.892   4.012  -7.003
  184   1HB   LYS  26          HB2       LYS  26   8.438   1.511  -7.136
  185   2HB   LYS  26          HB1       LYS  26   9.006   2.383  -5.720
  186   1HG   LYS  26          HG2       LYS  26   7.438   1.394  -4.327
  187   2HG   LYS  26          HG1       LYS  26   6.404   0.916  -5.672
  188   1HD   LYS  26          HD2       LYS  26   9.154  -0.219  -5.203
  189   2HD   LYS  26          HD1       LYS  26   7.676  -0.950  -4.571
  190   1HE   LYS  26          HE2       LYS  26   6.832  -0.946  -6.968
  191   2HE   LYS  26          HE1       LYS  26   8.490  -0.572  -7.441
  192   1HZ   LYS  26          HZ1       LYS  26   7.355  -3.052  -6.436
  193   2HZ   LYS  26          HZ2       LYS  26   8.895  -2.656  -5.849
  194   3HZ   LYS  26          HZ3       LYS  26   8.639  -2.802  -7.514
  195    H    ALA  27           HN       ALA  27   4.879   2.409  -6.352
  196    HA   ALA  27           HA       ALA  27   4.452   1.408  -9.001
  197   1HB   ALA  27          HB1       ALA  27   2.635   0.411  -8.138
  198   2HB   ALA  27          HB2       ALA  27   2.077   1.886  -7.348
  199   3HB   ALA  27          HB3       ALA  27   3.317   0.892  -6.584
  200    H    LYS  28           HN       LYS  28   4.501   4.458  -7.744
  201    HA   LYS  28           HA       LYS  28   4.114   6.491  -8.674
  202   1HB   LYS  28          HB2       LYS  28   4.159   5.041 -10.874
  203   2HB   LYS  28          HB1       LYS  28   2.436   5.379 -10.878
  204   1HG   LYS  28          HG2       LYS  28   2.810   7.716 -11.033
  205   2HG   LYS  28          HG1       LYS  28   4.535   7.523 -10.718
  206   1HD   LYS  28          HD2       LYS  28   3.139   6.342 -13.115
  207   2HD   LYS  28          HD1       LYS  28   3.912   7.926 -13.127
  208   1HE   LYS  28          HE2       LYS  28   5.472   6.377 -14.038
  209   2HE   LYS  28          HE1       LYS  28   6.038   6.793 -12.424
  210   1HZ   LYS  28          HZ1       LYS  28   5.805   4.289 -13.349
  211   2HZ   LYS  28          HZ2       LYS  28   4.327   4.461 -12.546
  212   3HZ   LYS  28          HZ3       LYS  28   5.776   4.698 -11.707
  213    H    PHE  29           HN       PHE  29   2.473   5.328  -6.697
  214    HA   PHE  29           HA       PHE  29  -0.141   6.550  -7.286
  215   1HB   PHE  29          HB2       PHE  29   0.643   4.341  -5.393
  216   2HB   PHE  29          HB1       PHE  29  -0.863   5.228  -5.185
  217    HD1  PHE  29           HD1      PHE  29  -2.761   4.440  -6.216
  218    HD2  PHE  29           HD2      PHE  29   1.036   3.356  -7.800
  219    HE1  PHE  29           HE1      PHE  29  -3.865   2.942  -7.825
  220    HE2  PHE  29           HE2      PHE  29  -0.061   1.859  -9.414
  221    HZ   PHE  29           HZ       PHE  29  -2.514   1.650  -9.428
  222    H    SER  30           HN       SER  30  -1.035   7.970  -5.747
  223    HA   SER  30           HA       SER  30   0.770   9.764  -4.609
  224   1HB   SER  30          HB2       SER  30  -1.533  10.339  -5.327
  225   2HB   SER  30          HB1       SER  30  -2.163   9.445  -3.944
  226    HG   SER  30           HG       SER  30  -1.384  10.956  -2.590
  227    H    ASP  31           HN       ASP  31  -1.284   7.331  -3.008
  228    HA   ASP  31           HA       ASP  31   0.649   7.122  -0.864
  229   1HB   ASP  31          HB2       ASP  31  -0.678   9.039  -0.108
  230   2HB   ASP  31          HB1       ASP  31  -2.157   8.098  -0.281
  231    H    GLY  32           HN       GLY  32   0.300   5.340   0.525
  232   1HA   GLY  32          HA2       GLY  32  -1.647   3.380  -0.517
  233   2HA   GLY  32          HA1       GLY  32  -0.020   2.937  -0.020
  234    H    HIS  33           HN       HIS  33  -2.732   2.105   0.921
  235    HA   HIS  33           HA       HIS  33  -2.210   2.526   3.783
  236   1HB   HIS  33          HB2       HIS  33  -4.718   2.621   4.142
  237   2HB   HIS  33          HB1       HIS  33  -4.001   4.044   3.399
  238    HD1  HIS  33           HD1      HIS  33  -4.295   4.119   0.665
  239    HD2  HIS  33           HD2      HIS  33  -6.832   1.592   2.779
  240    HE1  HIS  33           HE1      HIS  33  -6.189   3.601  -0.899
  241    H    CYS  34           HN       CYS  34  -2.341   0.734   4.979
  242    HA   CYS  34           HA       CYS  34  -2.503  -1.798   3.741
  243   1HB   CYS  34          HB2       CYS  34  -2.691  -1.177   6.693
  244   2HB   CYS  34          HB1       CYS  34  -2.231  -2.712   5.969
  245    H    SER  35           HN       SER  35  -4.143  -3.188   3.483
  246    HA   SER  35           HA       SER  35  -6.827  -2.319   4.006
  247   1HB   SER  35          HB2       SER  35  -6.253  -3.581   1.965
  248   2HB   SER  35          HB1       SER  35  -5.803  -4.969   2.952
  249    HG   SER  35           HG       SER  35  -8.233  -4.222   2.079
  250    H    LYS  36           HN       LYS  36  -8.390  -3.532   5.198
  251    HA   LYS  36           HA       LYS  36  -7.315  -4.573   7.686
  252   1HB   LYS  36          HB2       LYS  36  -9.106  -3.015   7.950
  253   2HB   LYS  36          HB1       LYS  36 -10.102  -3.856   6.769
  254   1HG   LYS  36          HG2       LYS  36 -10.221  -5.788   8.294
  255   2HG   LYS  36          HG1       LYS  36  -9.318  -4.861   9.495
  256   1HD   LYS  36          HD2       LYS  36 -11.103  -3.180   9.530
  257   2HD   LYS  36          HD1       LYS  36 -12.003  -4.115   8.333
  258   1HE   LYS  36          HE2       LYS  36 -11.261  -5.000  11.121
  259   2HE   LYS  36          HE1       LYS  36 -12.869  -4.545  10.560
  260   1HZ   LYS  36          HZ1       LYS  36 -12.276  -7.018  10.690
  261   2HZ   LYS  36          HZ2       LYS  36 -11.390  -6.754   9.275
  262   3HZ   LYS  36          HZ3       LYS  36 -13.057  -6.463   9.295
  263    H    ILE  37           HN       ILE  37  -8.813  -5.677   4.778
  264    HA   ILE  37           HA       ILE  37  -9.793  -8.174   5.702
  265    HB   ILE  37           HB       ILE  37  -8.894  -7.642   2.886
  266   1HG1  ILE  37          HG12      ILE  37 -11.580  -6.864   4.027
  267   2HG1  ILE  37          HG11      ILE  37 -10.264  -5.721   3.770
  268   1HG2  ILE  37          HG21      ILE  37 -11.242  -8.972   2.725
  269   2HG2  ILE  37          HG22      ILE  37 -10.622  -9.592   4.255
  270   3HG2  ILE  37          HG23      ILE  37  -9.665  -9.761   2.783
  271   1HD1  ILE  37          HD11      ILE  37 -11.207  -5.397   1.776
  272   2HD1  ILE  37          HD12      ILE  37 -12.132  -6.896   1.863
  273   3HD1  ILE  37          HD13      ILE  37 -10.449  -6.927   1.332
  274    H    LEU  38           HN       LEU  38  -7.672  -8.498   3.025
  275    HA   LEU  38           HA       LEU  38  -6.133 -10.516   4.403
  276   1HB   LEU  38          HB2       LEU  38  -6.983 -10.668   2.018
  277   2HB   LEU  38          HB1       LEU  38  -5.744  -9.509   1.593
  278    HG   LEU  38           HG       LEU  38  -4.032 -11.073   2.455
  279   1HD1  LEU  38          HD11      LEU  38  -5.779 -12.287   3.907
  280   2HD1  LEU  38          HD12      LEU  38  -4.510 -13.241   3.139
  281   3HD1  LEU  38          HD13      LEU  38  -6.130 -13.209   2.445
  282   1HD2  LEU  38          HD21      LEU  38  -4.228 -11.115   0.141
  283   2HD2  LEU  38          HD22      LEU  38  -5.840 -11.830   0.191
  284   3HD2  LEU  38          HD23      LEU  38  -4.427 -12.810   0.584
  285    H    ARG  39           HN       ARG  39  -5.935  -7.473   4.740
  286    HA   ARG  39           HA       ARG  39  -4.391  -5.914   5.270
  287   1HB   ARG  39          HB2       ARG  39  -3.224  -8.478   5.994
  288   2HB   ARG  39          HB1       ARG  39  -2.002  -7.263   5.649
  289   1HG   ARG  39          HG2       ARG  39  -2.556  -7.313   8.010
  290   2HG   ARG  39          HG1       ARG  39  -3.002  -5.769   7.286
  291   1HD   ARG  39          HD2       ARG  39  -5.327  -6.473   7.169
  292   2HD   ARG  39          HD1       ARG  39  -4.899  -8.056   7.817
  293    HE   ARG  39           HE       ARG  39  -4.977  -7.155   9.898
  294   1HH1  ARG  39          HH11      ARG  39  -4.577  -4.522   7.620
  295   2HH1  ARG  39          HH12      ARG  39  -4.522  -3.300   8.848
  296   1HH2  ARG  39          HH21      ARG  39  -4.922  -5.537  11.517
  297   2HH2  ARG  39          HH22      ARG  39  -4.724  -3.877  11.065
  298    H    ARG  40           HN       ARG  40  -4.701  -6.665   2.438
  299    HA   ARG  40           HA       ARG  40  -2.106  -6.537   1.238
  300   1HB   ARG  40          HB2       ARG  40  -4.892  -6.191   0.151
  301   2HB   ARG  40          HB1       ARG  40  -3.469  -5.935  -0.851
  302   1HG   ARG  40          HG2       ARG  40  -2.747  -8.251  -0.295
  303   2HG   ARG  40          HG1       ARG  40  -4.294  -8.478   0.523
  304   1HD   ARG  40          HD2       ARG  40  -5.489  -8.088  -1.539
  305   2HD   ARG  40          HD1       ARG  40  -3.985  -7.703  -2.376
  306    HE   ARG  40           HE       ARG  40  -5.041 -10.298  -1.841
  307   1HH1  ARG  40          HH11      ARG  40  -2.070  -8.512  -2.413
  308   2HH1  ARG  40          HH12      ARG  40  -1.135  -9.939  -2.753
  309   1HH2  ARG  40          HH21      ARG  40  -3.759 -12.173  -2.306
  310   2HH2  ARG  40          HH22      ARG  40  -2.068 -11.977  -2.684
  311    H    CYS  41           HN       CYS  41  -1.178  -4.773   0.112
  312    HA   CYS  41           HA       CYS  41  -1.644  -2.237   1.399
  313   1HB   CYS  41          HB2       CYS  41   0.639  -2.866   0.997
  314   2HB   CYS  41          HB1       CYS  41   0.319  -3.149  -0.709
  315    H    LEU  42           HN       LEU  42  -3.378  -1.121   0.739
  316    HA   LEU  42           HA       LEU  42  -4.202  -1.170  -2.046
  317   1HB   LEU  42          HB2       LEU  42  -5.358  -0.105   0.500
  318   2HB   LEU  42          HB1       LEU  42  -5.906   0.579  -1.018
  319    HG   LEU  42           HG       LEU  42  -6.688  -1.621  -1.745
  320   1HD1  LEU  42          HD11      LEU  42  -6.576  -3.560  -0.424
  321   2HD1  LEU  42          HD12      LEU  42  -6.018  -2.662   0.988
  322   3HD1  LEU  42          HD13      LEU  42  -4.950  -2.877  -0.399
  323   1HD2  LEU  42          HD21      LEU  42  -7.719  -0.095   0.435
  324   2HD2  LEU  42          HD22      LEU  42  -8.094  -1.799   0.688
  325   3HD2  LEU  42          HD23      LEU  42  -8.593  -0.998  -0.802
  326    H    CYS  43           HN       CYS  43  -3.427   0.219  -3.471
  327    HA   CYS  43           HA       CYS  43  -2.168   2.669  -2.495
  328   1HB   CYS  43          HB2       CYS  43  -2.030   1.338  -5.207
  329   2HB   CYS  43          HB1       CYS  43  -1.154   2.789  -4.739
  330    H    THR  44           HN       THR  44  -2.906   4.638  -2.981
  331    HA   THR  44           HA       THR  44  -5.247   4.813  -4.755
  332    HB   THR  44           HB       THR  44  -5.624   6.936  -3.131
  333    HG1  THR  44           HG1      THR  44  -3.804   6.047  -1.803
  334   1HG2  THR  44          HG21      THR  44  -7.228   5.118  -3.788
  335   2HG2  THR  44          HG22      THR  44  -7.417   5.708  -2.137
  336   3HG2  THR  44          HG23      THR  44  -6.607   4.171  -2.436
  337    H    LYS  45           HN       LYS  45  -5.316   6.509  -6.158
  338    HA   LYS  45           HA       LYS  45  -3.389   8.658  -5.994
  339   1HB   LYS  45          HB2       LYS  45  -2.211   8.231  -8.007
  340   2HB   LYS  45          HB1       LYS  45  -2.134   6.752  -7.062
  341   1HG   LYS  45          HG2       LYS  45  -3.786   5.707  -8.435
  342   2HG   LYS  45          HG1       LYS  45  -4.109   7.220  -9.283
  343   1HD   LYS  45          HD2       LYS  45  -1.423   5.850  -9.301
  344   2HD   LYS  45          HD1       LYS  45  -2.665   5.559 -10.518
  345   1HE   LYS  45          HE2       LYS  45  -1.239   7.173 -11.464
  346   2HE   LYS  45          HE1       LYS  45  -2.653   8.070 -10.917
  347   1HZ   LYS  45          HZ1       LYS  45   0.034   7.967  -9.673
  348   2HZ   LYS  45          HZ2       LYS  45  -1.321   8.553  -8.848
  349   3HZ   LYS  45          HZ3       LYS  45  -0.801   9.327 -10.257
  350    H    GLU  46           HN       GLU  46  -3.491   9.977  -8.005
  351    HA   GLU  46           HA       GLU  46  -6.203  10.780  -8.386
  352   1HB   GLU  46          HB2       GLU  46  -5.248  12.696  -9.442
  353   2HB   GLU  46          HB1       GLU  46  -4.215  12.300  -8.078
  354   1HG   GLU  46          HG2       GLU  46  -3.640  11.517 -10.922
  355   2HG   GLU  46          HG1       GLU  46  -3.006  12.958 -10.148
  356    H    CYS  47           HN       CYS  47  -7.327  10.872 -10.308
  357    HA   CYS  47           HA       CYS  47  -6.391  10.085 -12.823
  358   1HB   CYS  47          HB2       CYS  47  -7.517   7.935 -13.096
  359   2HB   CYS  47          HB1       CYS  47  -6.312   7.833 -11.819
  Start of MODEL   20
    1   1H    ALA   1          HT1       ALA   1  -9.611  11.540  -6.801
    2   2H    ALA   1          HT2       ALA   1 -10.407  10.980  -8.187
    3   3H    ALA   1          HT3       ALA   1  -9.637  12.484  -8.204
    4    HA   ALA   1           HA       ALA   1  -8.578  10.168  -9.081
    5   1HB   ALA   1          HB1       ALA   1  -7.455  12.821  -8.272
    6   2HB   ALA   1          HB2       ALA   1  -7.670  12.141  -9.885
    7   3HB   ALA   1          HB3       ALA   1  -6.378  11.545  -8.843
    8    H    THR   2           HN       THR   2  -9.447   9.475  -6.497
    9    HA   THR   2           HA       THR   2  -7.023   9.131  -4.915
   10    HB   THR   2           HB       THR   2  -9.787   8.189  -4.156
   11    HG1  THR   2           HG1      THR   2  -9.470  10.439  -2.956
   12   1HG2  THR   2          HG21      THR   2  -7.195   8.649  -2.771
   13   2HG2  THR   2          HG22      THR   2  -8.396   7.380  -2.527
   14   3HG2  THR   2          HG23      THR   2  -8.675   8.995  -1.874
   15    H    CYS   3           HN       CYS   3  -5.965   7.631  -6.223
   16    HA   CYS   3           HA       CYS   3  -7.276   5.120  -6.826
   17   1HB   CYS   3          HB2       CYS   3  -4.485   6.095  -7.468
   18   2HB   CYS   3          HB1       CYS   3  -5.271   4.666  -8.146
   19    H    LYS   4           HN       LYS   4  -6.956   3.244  -5.833
   20    HA   LYS   4           HA       LYS   4  -4.797   2.995  -3.852
   21   1HB   LYS   4          HB2       LYS   4  -7.023   3.615  -2.794
   22   2HB   LYS   4          HB1       LYS   4  -7.644   2.080  -3.374
   23   1HG   LYS   4          HG2       LYS   4  -5.273   2.303  -1.533
   24   2HG   LYS   4          HG1       LYS   4  -6.933   2.153  -0.962
   25   1HD   LYS   4          HD2       LYS   4  -5.467   0.167  -2.701
   26   2HD   LYS   4          HD1       LYS   4  -5.805  -0.014  -0.979
   27   1HE   LYS   4          HE2       LYS   4  -8.153  -0.132  -1.376
   28   2HE   LYS   4          HE1       LYS   4  -7.950   0.335  -3.064
   29   1HZ   LYS   4          HZ1       LYS   4  -6.574  -2.087  -2.137
   30   2HZ   LYS   4          HZ2       LYS   4  -7.255  -1.732  -3.649
   31   3HZ   LYS   4          HZ3       LYS   4  -8.254  -2.161  -2.357
   32    H    ALA   5           HN       ALA   5  -3.741   1.145  -3.985
   33    HA   ALA   5           HA       ALA   5  -4.966  -1.287  -4.941
   34   1HB   ALA   5          HB1       ALA   5  -4.325  -1.141  -7.072
   35   2HB   ALA   5          HB2       ALA   5  -2.648  -1.122  -6.528
   36   3HB   ALA   5          HB3       ALA   5  -3.516   0.395  -6.763
   37    H    GLU   6           HN       GLU   6  -3.845  -3.079  -4.194
   38    HA   GLU   6           HA       GLU   6  -2.057  -2.698  -2.051
   39   1HB   GLU   6          HB2       GLU   6  -2.120  -5.331  -3.452
   40   2HB   GLU   6          HB1       GLU   6  -2.168  -4.975  -1.734
   41   1HG   GLU   6          HG2       GLU   6  -4.465  -4.548  -3.629
   42   2HG   GLU   6          HG1       GLU   6  -4.259  -5.955  -2.588
   43    H    CYS   7           HN       CYS   7   0.141  -2.849  -1.946
   44    HA   CYS   7           HA       CYS   7   1.655  -2.151  -4.184
   45   1HB   CYS   7          HB2       CYS   7   2.362  -1.831  -1.795
   46   2HB   CYS   7          HB1       CYS   7   2.726  -3.552  -1.723
   47    HA   PRO   8           HA       PRO   8   1.759  -6.005  -6.413
   48   1HB   PRO   8          HB2       PRO   8   4.099  -4.722  -7.714
   49   2HB   PRO   8          HB1       PRO   8   2.638  -5.398  -8.441
   50   1HG   PRO   8          HG2       PRO   8   3.003  -2.759  -8.293
   51   2HG   PRO   8          HG1       PRO   8   1.399  -3.479  -8.058
   52   1HD   PRO   8          HD2       PRO   8   3.318  -2.414  -6.027
   53   2HD   PRO   8          HD1       PRO   8   1.547  -2.300  -6.075
   54    H    THR   9           HN       THR   9   4.745  -4.483  -5.277
   55    HA   THR   9           HA       THR   9   6.102  -7.041  -5.111
   56    HB   THR   9           HB       THR   9   8.008  -5.663  -4.241
   57    HG1  THR   9           HG1      THR   9   6.147  -3.901  -3.767
   58   1HG2  THR   9          HG21      THR   9   6.805  -4.705  -6.843
   59   2HG2  THR   9          HG22      THR   9   7.791  -6.152  -6.637
   60   3HG2  THR   9          HG23      THR   9   8.498  -4.559  -6.369
   61    H    TRP  10           HN       TRP  10   3.881  -7.078  -3.502
   62    HA   TRP  10           HA       TRP  10   5.088  -7.225  -0.840
   63   1HB   TRP  10          HB2       TRP  10   3.881  -5.012  -1.124
   64   2HB   TRP  10          HB1       TRP  10   2.394  -5.934  -1.308
   65    HD1  TRP  10           HD1      TRP  10   1.329  -6.997   0.873
   66    HE1  TRP  10           HE1      TRP  10   1.772  -6.623   3.389
   67    HE3  TRP  10           HE3      TRP  10   5.749  -4.459   0.547
   68    HZ2  TRP  10           HZ2      TRP  10   3.742  -5.376   5.013
   69    HZ3  TRP  10           HZ3      TRP  10   6.833  -3.696   2.617
   70    HH2  TRP  10           HH2      TRP  10   5.849  -4.150   4.800
   71    H    ASP  11           HN       ASP  11   4.652  -9.130   0.020
   72    HA   ASP  11           HA       ASP  11   2.065 -10.391  -0.321
   73   1HB   ASP  11          HB2       ASP  11   3.667 -11.166  -2.218
   74   2HB   ASP  11          HB1       ASP  11   4.509 -12.046  -0.946
   75    H    SER  12           HN       SER  12   2.615  -9.370   1.915
   76    HA   SER  12           HA       SER  12   3.104 -11.543   3.732
   77   1HB   SER  12          HB2       SER  12   4.969  -9.150   3.736
   78   2HB   SER  12          HB1       SER  12   4.915 -10.399   4.978
   79    HG   SER  12           HG       SER  12   5.163 -11.560   2.577
   80    H    VAL  13           HN       VAL  13   2.724 -10.869   5.992
   81    HA   VAL  13           HA       VAL  13   0.502  -9.032   6.131
   82    HB   VAL  13           HB       VAL  13   1.913 -10.589   8.322
   83   1HG1  VAL  13          HG11      VAL  13  -0.880  -9.740   8.683
   84   2HG1  VAL  13          HG12      VAL  13   0.320  -8.448   8.722
   85   3HG1  VAL  13          HG13      VAL  13   0.449  -9.805   9.841
   86   1HG2  VAL  13          HG21      VAL  13   0.460 -11.633   6.278
   87   2HG2  VAL  13          HG22      VAL  13  -0.788 -11.379   7.497
   88   3HG2  VAL  13          HG23      VAL  13   0.622 -12.369   7.872
   89    H    CYS  14           HN       CYS  14   0.636  -6.943   6.681
   90    HA   CYS  14           HA       CYS  14   3.140  -5.676   7.040
   91   1HB   CYS  14          HB2       CYS  14   1.493  -4.386   5.976
   92   2HB   CYS  14          HB1       CYS  14   0.294  -4.729   7.219
   93    H    ILE  15           HN       ILE  15   4.193  -4.992   8.779
   94    HA   ILE  15           HA       ILE  15   3.065  -5.640  11.413
   95    HB   ILE  15           HB       ILE  15   5.955  -5.174  10.637
   96   1HG1  ILE  15          HG12      ILE  15   5.115  -7.268   9.706
   97   2HG1  ILE  15          HG11      ILE  15   6.227  -7.599  11.029
   98   1HG2  ILE  15          HG21      ILE  15   5.217  -4.589  13.006
   99   2HG2  ILE  15          HG22      ILE  15   6.573  -5.705  12.836
  100   3HG2  ILE  15          HG23      ILE  15   4.968  -6.321  13.230
  101   1HD1  ILE  15          HD11      ILE  15   4.674  -8.930  11.874
  102   2HD1  ILE  15          HD12      ILE  15   3.479  -8.375  10.701
  103   3HD1  ILE  15          HD13      ILE  15   3.708  -7.493  12.211
  104    H    ASN  16           HN       ASN  16   4.697  -3.155   9.531
  105    HA   ASN  16           HA       ASN  16   3.634  -1.095  11.312
  106   1HB   ASN  16          HB2       ASN  16   6.003  -1.599  11.982
  107   2HB   ASN  16          HB1       ASN  16   6.515  -1.135  10.365
  108   1HD2  ASN  16          HD21      ASN  16   5.955  -0.092  13.485
  109   2HD2  ASN  16          HD22      ASN  16   6.014   1.613  13.208
  110    H    LYS  17           HN       LYS  17   3.501   1.005  10.262
  111    HA   LYS  17           HA       LYS  17   2.585   0.854   7.610
  112   1HB   LYS  17          HB2       LYS  17   1.867   2.529   9.340
  113   2HB   LYS  17          HB1       LYS  17   3.392   3.365   9.083
  114   1HG   LYS  17          HG2       LYS  17   2.771   3.678   6.706
  115   2HG   LYS  17          HG1       LYS  17   1.204   2.943   7.054
  116   1HD   LYS  17          HD2       LYS  17   0.865   4.724   8.793
  117   2HD   LYS  17          HD1       LYS  17   2.328   5.502   8.188
  118   1HE   LYS  17          HE2       LYS  17  -0.180   4.945   6.603
  119   2HE   LYS  17          HE1       LYS  17   0.325   6.513   7.226
  120   1HZ   LYS  17          HZ1       LYS  17   0.940   6.470   4.969
  121   2HZ   LYS  17          HZ2       LYS  17   1.589   4.910   5.081
  122   3HZ   LYS  17          HZ3       LYS  17   2.381   6.208   5.822
  123    H    LYS  18           HN       LYS  18   5.712   1.815   8.939
  124    HA   LYS  18           HA       LYS  18   6.820   3.164   6.810
  125   1HB   LYS  18          HB2       LYS  18   8.192   1.246   8.694
  126   2HB   LYS  18          HB1       LYS  18   9.036   2.337   7.605
  127   1HG   LYS  18          HG2       LYS  18   8.001   4.251   8.733
  128   2HG   LYS  18          HG1       LYS  18   7.182   3.145   9.837
  129   1HD   LYS  18          HD2       LYS  18   9.159   4.043  10.902
  130   2HD   LYS  18          HD1       LYS  18   9.384   2.321  10.594
  131   1HE   LYS  18          HE2       LYS  18  10.689   2.852   8.592
  132   2HE   LYS  18          HE1       LYS  18  10.460   4.573   8.898
  133   1HZ   LYS  18          HZ1       LYS  18  12.629   3.574   9.658
  134   2HZ   LYS  18          HZ2       LYS  18  11.753   2.776  10.865
  135   3HZ   LYS  18          HZ3       LYS  18  11.781   4.467  10.819
  136    HA   PRO  19           HA       PRO  19   8.488  -1.117   4.892
  137   1HB   PRO  19          HB2       PRO  19   6.147  -2.705   5.876
  138   2HB   PRO  19          HB1       PRO  19   7.793  -3.246   5.535
  139   1HG   PRO  19          HG2       PRO  19   7.038  -2.880   8.034
  140   2HG   PRO  19          HG1       PRO  19   8.634  -2.309   7.509
  141   1HD   PRO  19          HD2       PRO  19   6.135  -0.750   8.013
  142   2HD   PRO  19          HD1       PRO  19   7.822  -0.319   8.358
  143    H    CYS  20           HN       CYS  20   5.025  -0.595   5.394
  144    HA   CYS  20           HA       CYS  20   4.177  -1.345   2.815
  145   1HB   CYS  20          HB2       CYS  20   2.678  -1.208   4.767
  146   2HB   CYS  20          HB1       CYS  20   2.881   0.538   4.801
  147    H    VAL  21           HN       VAL  21   4.809   1.862   4.247
  148    HA   VAL  21           HA       VAL  21   4.241   3.399   1.971
  149    HB   VAL  21           HB       VAL  21   6.294   4.010   4.115
  150   1HG1  VAL  21          HG11      VAL  21   5.891   6.358   3.508
  151   2HG1  VAL  21          HG12      VAL  21   4.841   5.827   2.194
  152   3HG1  VAL  21          HG13      VAL  21   6.560   5.432   2.164
  153   1HG2  VAL  21          HG21      VAL  21   4.599   4.243   5.525
  154   2HG2  VAL  21          HG22      VAL  21   3.452   3.806   4.259
  155   3HG2  VAL  21          HG23      VAL  21   3.923   5.492   4.479
  156    H    ALA  22           HN       ALA  22   7.233   1.821   3.018
  157    HA   ALA  22           HA       ALA  22   8.926   2.868   1.028
  158   1HB   ALA  22          HB1       ALA  22  10.503   1.441   1.832
  159   2HB   ALA  22          HB2       ALA  22   9.383   0.083   1.932
  160   3HB   ALA  22          HB3       ALA  22   9.361   1.338   3.171
  161    H    CYS  23           HN       CYS  23   6.870  -0.005   1.108
  162    HA   CYS  23           HA       CYS  23   7.614  -1.055  -1.407
  163   1HB   CYS  23          HB2       CYS  23   6.257  -2.172   0.485
  164   2HB   CYS  23          HB1       CYS  23   4.866  -1.335  -0.193
  165    H    CYS  24           HN       CYS  24   4.882   0.938  -0.389
  166    HA   CYS  24           HA       CYS  24   3.715   1.320  -2.897
  167   1HB   CYS  24          HB2       CYS  24   3.685   3.031  -0.412
  168   2HB   CYS  24          HB1       CYS  24   2.626   3.283  -1.792
  169    H    LYS  25           HN       LYS  25   6.213   3.166  -1.212
  170    HA   LYS  25           HA       LYS  25   6.276   5.324  -3.015
  171   1HB   LYS  25          HB2       LYS  25   7.316   5.096  -0.657
  172   2HB   LYS  25          HB1       LYS  25   8.691   4.391  -1.493
  173   1HG   LYS  25          HG2       LYS  25   8.848   6.849  -0.989
  174   2HG   LYS  25          HG1       LYS  25   9.130   6.390  -2.668
  175   1HD   LYS  25          HD2       LYS  25   7.706   8.405  -2.434
  176   2HD   LYS  25          HD1       LYS  25   6.904   7.086  -3.285
  177   1HE   LYS  25          HE2       LYS  25   5.310   8.012  -1.791
  178   2HE   LYS  25          HE1       LYS  25   5.818   6.473  -1.104
  179   1HZ   LYS  25          HZ1       LYS  25   5.664   8.648   0.331
  180   2HZ   LYS  25          HZ2       LYS  25   7.237   8.882  -0.249
  181   3HZ   LYS  25          HZ3       LYS  25   6.857   7.484   0.624
  182    H    LYS  26           HN       LYS  26   8.022   2.225  -2.981
  183    HA   LYS  26           HA       LYS  26   9.665   2.887  -5.212
  184   1HB   LYS  26          HB2       LYS  26  10.531   0.764  -5.083
  185   2HB   LYS  26          HB1       LYS  26   9.876   0.908  -3.460
  186   1HG   LYS  26          HG2       LYS  26   8.039  -0.469  -3.964
  187   2HG   LYS  26          HG1       LYS  26   8.318  -0.342  -5.701
  188   1HD   LYS  26          HD2       LYS  26   9.140  -2.457  -5.200
  189   2HD   LYS  26          HD1       LYS  26  10.594  -1.457  -5.182
  190   1HE   LYS  26          HE2       LYS  26  10.720  -2.847  -3.275
  191   2HE   LYS  26          HE1       LYS  26  10.269  -1.244  -2.690
  192   1HZ   LYS  26          HZ1       LYS  26   9.008  -3.373  -1.892
  193   2HZ   LYS  26          HZ2       LYS  26   8.133  -3.151  -3.326
  194   3HZ   LYS  26          HZ3       LYS  26   8.177  -1.924  -2.160
  195    H    ALA  27           HN       ALA  27   6.435   1.678  -4.818
  196    HA   ALA  27           HA       ALA  27   6.128   0.905  -7.587
  197   1HB   ALA  27          HB1       ALA  27   4.642  -0.400  -6.548
  198   2HB   ALA  27          HB2       ALA  27   3.594   1.018  -6.535
  199   3HB   ALA  27          HB3       ALA  27   4.588   0.642  -5.127
  200    H    LYS  28           HN       LYS  28   6.545   3.769  -6.326
  201    HA   LYS  28           HA       LYS  28   6.185   5.894  -6.976
  202   1HB   LYS  28          HB2       LYS  28   6.297   4.724  -9.268
  203   2HB   LYS  28          HB1       LYS  28   4.550   4.916  -9.300
  204   1HG   LYS  28          HG2       LYS  28   4.762   7.311  -9.183
  205   2HG   LYS  28          HG1       LYS  28   6.510   7.181  -8.984
  206   1HD   LYS  28          HD2       LYS  28   6.644   6.112 -11.212
  207   2HD   LYS  28          HD1       LYS  28   4.907   6.357 -11.404
  208   1HE   LYS  28          HE2       LYS  28   5.204   8.760 -11.258
  209   2HE   LYS  28          HE1       LYS  28   6.932   8.550 -10.973
  210   1HZ   LYS  28          HZ1       LYS  28   7.258   7.784 -13.150
  211   2HZ   LYS  28          HZ2       LYS  28   6.236   9.122 -13.313
  212   3HZ   LYS  28          HZ3       LYS  28   5.604   7.557 -13.425
  213    H    PHE  29           HN       PHE  29   4.395   4.718  -5.104
  214    HA   PHE  29           HA       PHE  29   1.876   6.114  -5.713
  215   1HB   PHE  29          HB2       PHE  29   2.504   3.887  -3.787
  216   2HB   PHE  29          HB1       PHE  29   1.060   4.874  -3.593
  217    HD1  PHE  29           HD1      PHE  29  -0.889   4.261  -4.673
  218    HD2  PHE  29           HD2      PHE  29   2.829   2.786  -6.123
  219    HE1  PHE  29           HE1      PHE  29  -2.087   2.817  -6.262
  220    HE2  PHE  29           HE2      PHE  29   1.637   1.343  -7.718
  221    HZ   PHE  29           HZ       PHE  29  -0.824   1.357  -7.790
  222    H    SER  30           HN       SER  30   1.062   7.631  -4.268
  223    HA   SER  30           HA       SER  30   2.900   9.355  -3.119
  224   1HB   SER  30          HB2       SER  30  -0.013   9.195  -2.346
  225   2HB   SER  30          HB1       SER  30   1.024  10.622  -2.365
  226    HG   SER  30           HG       SER  30   0.437  10.897  -4.363
  227    H    ASP  31           HN       ASP  31   0.741   7.041  -1.473
  228    HA   ASP  31           HA       ASP  31   2.675   6.716   0.643
  229   1HB   ASP  31          HB2       ASP  31   1.516   8.748   1.417
  230   2HB   ASP  31          HB1       ASP  31  -0.027   7.901   1.322
  231    H    GLY  32           HN       GLY  32   2.268   4.942   1.985
  232   1HA   GLY  32          HA2       GLY  32   0.188   3.130   0.941
  233   2HA   GLY  32          HA1       GLY  32   1.741   2.596   1.566
  234    H    HIS  33           HN       HIS  33  -1.136   2.053   2.297
  235    HA   HIS  33           HA       HIS  33  -0.761   2.443   5.181
  236   1HB   HIS  33          HB2       HIS  33  -3.210   2.805   5.447
  237   2HB   HIS  33          HB1       HIS  33  -2.403   4.103   4.585
  238    HD1  HIS  33           HD1      HIS  33  -2.735   4.014   1.870
  239    HD2  HIS  33           HD2      HIS  33  -5.350   1.733   4.159
  240    HE1  HIS  33           HE1      HIS  33  -4.641   3.431   0.344
  241    H    CYS  34           HN       CYS  34  -0.989   0.658   6.298
  242    HA   CYS  34           HA       CYS  34  -1.516  -1.817   4.969
  243   1HB   CYS  34          HB2       CYS  34  -1.130  -1.245   7.913
  244   2HB   CYS  34          HB1       CYS  34  -1.053  -2.830   7.146
  245    H    SER  35           HN       SER  35  -3.262  -3.185   5.179
  246    HA   SER  35           HA       SER  35  -5.726  -1.924   5.935
  247   1HB   SER  35          HB2       SER  35  -6.677  -4.234   5.292
  248   2HB   SER  35          HB1       SER  35  -5.948  -3.253   4.020
  249    HG   SER  35           HG       SER  35  -4.141  -4.515   4.077
  250    H    LYS  36           HN       LYS  36  -7.078  -4.306   6.866
  251    HA   LYS  36           HA       LYS  36  -5.815  -4.665   9.495
  252   1HB   LYS  36          HB2       LYS  36  -7.619  -3.010   9.670
  253   2HB   LYS  36          HB1       LYS  36  -8.752  -4.167   8.986
  254   1HG   LYS  36          HG2       LYS  36  -8.480  -5.616  10.908
  255   2HG   LYS  36          HG1       LYS  36  -7.270  -4.523  11.583
  256   1HD   LYS  36          HD2       LYS  36 -10.144  -3.789  11.027
  257   2HD   LYS  36          HD1       LYS  36  -9.506  -4.245  12.607
  258   1HE   LYS  36          HE2       LYS  36  -7.961  -2.339  12.521
  259   2HE   LYS  36          HE1       LYS  36  -8.625  -1.879  10.954
  260   1HZ   LYS  36          HZ1       LYS  36 -10.527  -2.195  13.137
  261   2HZ   LYS  36          HZ2       LYS  36 -10.495  -1.057  11.885
  262   3HZ   LYS  36          HZ3       LYS  36  -9.489  -0.862  13.231
  263    H    ILE  37           HN       ILE  37  -8.290  -5.944   7.275
  264    HA   ILE  37           HA       ILE  37  -8.694  -8.384   8.580
  265    HB   ILE  37           HB       ILE  37  -8.949  -7.839   5.620
  266   1HG1  ILE  37          HG12      ILE  37 -11.018  -7.621   7.819
  267   2HG1  ILE  37          HG11      ILE  37 -10.224  -6.253   7.046
  268   1HG2  ILE  37          HG21      ILE  37 -10.624  -9.673   5.711
  269   2HG2  ILE  37          HG22      ILE  37 -10.133  -9.986   7.375
  270   3HG2  ILE  37          HG23      ILE  37  -8.979 -10.204   6.059
  271   1HD1  ILE  37          HD11      ILE  37 -11.731  -8.236   5.402
  272   2HD1  ILE  37          HD12      ILE  37 -11.372  -6.542   5.067
  273   3HD1  ILE  37          HD13      ILE  37 -12.583  -6.964   6.278
  274    H    LEU  38           HN       LEU  38  -6.887  -7.984   5.517
  275    HA   LEU  38           HA       LEU  38  -5.423 -10.427   6.134
  276   1HB   LEU  38          HB2       LEU  38  -6.417 -10.018   3.862
  277   2HB   LEU  38          HB1       LEU  38  -5.258  -8.721   3.647
  278    HG   LEU  38           HG       LEU  38  -3.411 -10.333   3.821
  279   1HD1  LEU  38          HD11      LEU  38  -4.317 -12.811   3.497
  280   2HD1  LEU  38          HD12      LEU  38  -5.639 -12.173   4.475
  281   3HD1  LEU  38          HD13      LEU  38  -3.986 -12.127   5.088
  282   1HD2  LEU  38          HD21      LEU  38  -5.513 -11.064   1.788
  283   2HD2  LEU  38          HD22      LEU  38  -3.807 -11.502   1.696
  284   3HD2  LEU  38          HD23      LEU  38  -4.288  -9.806   1.625
  285    H    ARG  39           HN       ARG  39  -5.138  -7.136   6.494
  286    HA   ARG  39           HA       ARG  39  -3.523  -5.716   7.169
  287   1HB   ARG  39          HB2       ARG  39  -3.194  -7.691   8.783
  288   2HB   ARG  39          HB1       ARG  39  -1.793  -8.097   7.803
  289   1HG   ARG  39          HG2       ARG  39  -1.003  -6.843   9.639
  290   2HG   ARG  39          HG1       ARG  39  -0.945  -5.774   8.236
  291   1HD   ARG  39          HD2       ARG  39  -3.117  -4.813   8.937
  292   2HD   ARG  39          HD1       ARG  39  -3.060  -5.816  10.386
  293    HE   ARG  39           HE       ARG  39  -1.747  -3.347   9.991
  294   1HH1  ARG  39          HH11      ARG  39  -1.303  -6.470  11.507
  295   2HH1  ARG  39          HH12      ARG  39  -0.111  -5.906  12.628
  296   1HH2  ARG  39          HH21      ARG  39  -0.179  -2.588  11.482
  297   2HH2  ARG  39          HH22      ARG  39   0.534  -3.688  12.613
  298    H    ARG  40           HN       ARG  40  -3.593  -6.529   4.416
  299    HA   ARG  40           HA       ARG  40  -0.833  -6.688   3.553
  300   1HB   ARG  40          HB2       ARG  40  -2.064  -6.254   1.241
  301   2HB   ARG  40          HB1       ARG  40  -2.043  -7.839   1.998
  302   1HG   ARG  40          HG2       ARG  40  -4.253  -7.464   2.908
  303   2HG   ARG  40          HG1       ARG  40  -4.280  -5.838   2.215
  304   1HD   ARG  40          HD2       ARG  40  -4.299  -6.684  -0.003
  305   2HD   ARG  40          HD1       ARG  40  -3.898  -8.311   0.540
  306    HE   ARG  40           HE       ARG  40  -6.110  -8.690   0.926
  307   1HH1  ARG  40          HH11      ARG  40  -5.646  -5.239   0.493
  308   2HH1  ARG  40          HH12      ARG  40  -7.340  -4.879   0.659
  309   1HH2  ARG  40          HH21      ARG  40  -8.336  -8.204   1.116
  310   2HH2  ARG  40          HH22      ARG  40  -8.866  -6.560   1.000
  311    H    CYS  41           HN       CYS  41  -0.010  -5.087   1.962
  312    HA   CYS  41           HA       CYS  41  -0.352  -2.446   3.065
  313   1HB   CYS  41          HB2       CYS  41   1.882  -3.274   2.659
  314   2HB   CYS  41          HB1       CYS  41   1.512  -3.547   0.962
  315    H    LEU  42           HN       LEU  42  -2.041  -1.266   2.365
  316    HA   LEU  42           HA       LEU  42  -2.846  -1.385  -0.445
  317   1HB   LEU  42          HB2       LEU  42  -3.998  -0.069   2.011
  318   2HB   LEU  42          HB1       LEU  42  -4.556   0.379   0.412
  319    HG   LEU  42           HG       LEU  42  -5.202  -2.027   0.056
  320   1HD1  LEU  42          HD11      LEU  42  -3.677  -2.468   2.307
  321   2HD1  LEU  42          HD12      LEU  42  -4.782  -3.616   1.551
  322   3HD1  LEU  42          HD13      LEU  42  -5.335  -2.612   2.891
  323   1HD2  LEU  42          HD21      LEU  42  -6.986  -1.736   2.107
  324   2HD2  LEU  42          HD22      LEU  42  -7.132  -0.992   0.514
  325   3HD2  LEU  42          HD23      LEU  42  -6.434  -0.081   1.853
  326    H    CYS  43           HN       CYS  43  -1.952  -0.016  -1.882
  327    HA   CYS  43           HA       CYS  43  -0.556   2.334  -0.854
  328   1HB   CYS  43          HB2       CYS  43  -0.502   1.089  -3.608
  329   2HB   CYS  43          HB1       CYS  43   0.474   2.452  -3.082
  330    H    THR  44           HN       THR  44  -1.111   4.372  -1.318
  331    HA   THR  44           HA       THR  44  -3.439   4.766  -3.074
  332    HB   THR  44           HB       THR  44  -3.517   6.922  -1.410
  333    HG1  THR  44           HG1      THR  44  -1.951   5.885  -0.021
  334   1HG2  THR  44          HG21      THR  44  -5.120   4.699  -2.039
  335   2HG2  THR  44          HG22      THR  44  -5.619   6.206  -1.271
  336   3HG2  THR  44          HG23      THR  44  -5.125   4.833  -0.281
  337    H    LYS  45           HN       LYS  45  -3.329   6.374  -4.502
  338    HA   LYS  45           HA       LYS  45  -1.437   8.509  -4.325
  339   1HB   LYS  45          HB2       LYS  45   0.058   7.985  -6.022
  340   2HB   LYS  45          HB1       LYS  45  -0.132   6.437  -5.213
  341   1HG   LYS  45          HG2       LYS  45  -1.633   5.667  -6.925
  342   2HG   LYS  45          HG1       LYS  45  -1.626   7.256  -7.695
  343   1HD   LYS  45          HD2       LYS  45   0.880   6.962  -7.944
  344   2HD   LYS  45          HD1       LYS  45   0.627   5.275  -7.490
  345   1HE   LYS  45          HE2       LYS  45   0.676   5.463  -9.893
  346   2HE   LYS  45          HE1       LYS  45  -0.953   5.040  -9.368
  347   1HZ   LYS  45          HZ1       LYS  45  -1.104   7.711  -9.412
  348   2HZ   LYS  45          HZ2       LYS  45  -1.519   6.723 -10.723
  349   3HZ   LYS  45          HZ3       LYS  45   0.004   7.449 -10.664
  350    H    GLU  46           HN       GLU  46  -1.578   9.919  -6.256
  351    HA   GLU  46           HA       GLU  46  -4.326  10.132  -7.078
  352   1HB   GLU  46          HB2       GLU  46  -3.432  12.203  -8.249
  353   2HB   GLU  46          HB1       GLU  46  -3.267  12.167  -6.497
  354   1HG   GLU  46          HG2       GLU  46  -0.917  11.047  -7.297
  355   2HG   GLU  46          HG1       GLU  46  -1.218  12.218  -8.582
  356    H    CYS  47           HN       CYS  47  -5.169   9.721  -9.048
  357    HA   CYS  47           HA       CYS  47  -3.741   9.571 -11.440
  358   1HB   CYS  47          HB2       CYS  47  -3.394   7.355 -11.896
  359   2HB   CYS  47          HB1       CYS  47  -3.088   7.359 -10.169