*HEADER    HYROLASE                                05-OCT-01   1K45              
*TITLE     THE SOLUTION STRUCTURE OF THE CBM4-2 CARBOHYDRATE BINDING             
*TITLE    2 MODULE FROM A THERMOSTABLE RHODOTHERMUS MARINUS XYLANASE.            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: XYLANASE;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SECOND FAMILY 4 CARBOHYDRATE BINDING MODULE                
*COMPND   5 (CBM4-2)(RESIDUES 211-373);                                          
*COMPND   6 EC: 3.2.1.8;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS;                           
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: XYN10A;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-25B(+)                                
*KEYWDS    BETA-SANDWICH FORMED BY 11 STRANDS.   BINDING-SITE CLEFT.             
*KEYWDS   2  SOLVENT EXPOSED AROMATICS (TRP69, PHE110) IN BINDING                
*KEYWDS   3 CLEFT.   TWO HELICAL TWISTS.   TWO CALCIUM BINDING SITES.            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    P.J.SIMPSON, S.J.JAMIESON, M.ABOU-HACHEM, E.NORDBERG-                 
*AUTHOR   2 KARLSSON, H.J.GILBERT, O.HOLST, M.P.WILLIAMSON                       
*REVDAT   1   29-MAY-02 1K45    0                                                
!cbm_restraints.tbl
! unambiguous NOE restraints
assign ( resid   1 and name  he+ ) ( resid 165 and name  hb+ )   3.3   1.4   0.0
assign ( resid   3 and name hg2+ ) ( resid   4 and name   hn )   3.8   1.9   0.0
assign ( resid   3 and name hg1+ ) ( resid   4 and name   hn )   2.8   0.9   0.0
assign ( resid   3 and name   hn ) ( resid   4 and name   hn )   5.5   3.6   0.0
assign ( resid   3 and name hg2+ ) ( resid   5 and name   hn )   3.3   1.4   0.0
assign ( resid   3 and name hg1+ ) ( resid   5 and name   hn )   2.8   0.9   0.0
assign ( resid   3 and name hg2+ ) ( resid 164 and name   hn )   4.2   2.3   0.0
assign ( resid   3 and name hg1+ ) ( resid 164 and name   hn )   3.3   1.4   0.0
assign ( resid   3 and name hg1+ ) ( resid 165 and name   ha )   5.5   3.6   0.0
assign ( resid   4 and name   ha ) ( resid   4 and name   hn )   3.3   1.4   0.0
assign ( resid   4 and name  hb+ ) ( resid   4 and name   hn )   2.8   0.9   0.0
assign ( resid   4 and name   ha ) ( resid   5 and name   hn )   3.8   1.9   0.0
assign ( resid   4 and name   hn ) ( resid   5 and name   hn )   2.8   0.9   0.0
assign ( resid   4 and name   ha ) ( resid  78 and name hg1+ )   5.5   3.6   0.0
assign ( resid   4 and name  hb+ ) ( resid  78 and name   ha )   4.2   2.3   0.0
assign ( resid   4 and name   hn ) ( resid  78 and name hg1+ )   5.5   3.6   0.0
assign ( resid   4 and name   ha ) ( resid  79 and name  hb+ )   5.5   3.6   0.0
assign ( resid   4 and name   ha ) ( resid  79 and name   hn )   3.3   1.4   0.0
assign ( resid   4 and name  hb+ ) ( resid  80 and name hg1+ )   2.8   0.9   0.0
assign ( resid   4 and name  hb+ ) ( resid  86 and name  hd+ )   4.2   2.3   0.0
assign ( resid   4 and name   hn ) ( resid 164 and name   hb )   4.2   2.3   0.0
assign ( resid   4 and name   hn ) ( resid 164 and name hg2+ )   5.5   3.6   0.0
assign ( resid   4 and name   hn ) ( resid 164 and name   hn )   5.5   3.6   0.0
assign ( resid   4 and name   hn ) ( resid 165 and name   ha )   4.2   2.3   0.0
assign ( resid   4 and name   hn ) ( resid 165 and name  hb+ )   4.2   2.3   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name  hb+ )   3.8   1.9   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name   hn )   3.8   1.9   0.0
assign ( resid   5 and name  hb+ ) ( resid   5 and name hd2+ )   5.5   3.6   0.0
assign ( resid   5 and name  hb+ ) ( resid   5 and name   hn )   4.2   2.3   0.0
assign ( resid   5 and name   ha ) ( resid   6 and name   hn )   3.3   1.4   0.0
assign ( resid   5 and name  hb+ ) ( resid   6 and name   hn )   3.8   1.9   0.0
assign ( resid   5 and name hd2+ ) ( resid   8 and name  ha+ )   5.5   3.6   0.0
assign ( resid   5 and name hd2+ ) ( resid   8 and name   hn )   3.8   1.9   0.0
assign ( resid   5 and name hd2+ ) ( resid   9 and name   hn )   5.5   3.6   0.0
assign ( resid   5 and name hd2+ ) ( resid  75 and name  hb+ )   5.5   3.6   0.0
assign ( resid   5 and name   ha ) ( resid  78 and name hg2+ )   3.8   1.9   0.0
assign ( resid   5 and name   ha ) ( resid  78 and name hg1+ )   3.8   1.9   0.0
assign ( resid   5 and name   ha ) ( resid  78 and name   ha )   4.2   2.3   0.0
assign ( resid   5 and name  hb+ ) ( resid  78 and name hg2+ )   3.8   1.9   0.0
assign ( resid   5 and name   hn ) ( resid  78 and name hg2+ )   5.5   3.6   0.0
assign ( resid   5 and name   hn ) ( resid  78 and name hg1+ )   5.5   3.6   0.0
assign ( resid   5 and name   ha ) ( resid  79 and name   hn )   5.5   3.6   0.0
assign ( resid   5 and name hd2+ ) ( resid 162 and name   hn )   5.5   3.6   0.0
assign ( resid   5 and name hd2+ ) ( resid 162 and name hd2+ )   4.2   2.3   0.0
assign ( resid   5 and name  hb+ ) ( resid 164 and name hd1+ )   5.5   3.6   0.0
assign ( resid   5 and name   hn ) ( resid 164 and name   hb )   3.3   1.4   0.0
assign ( resid   5 and name   hn ) ( resid 164 and name   hn )   5.5   3.6   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name   hb )   4.2   2.3   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name hg1+ )   3.8   1.9   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name hg2+ )   2.8   0.9   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name   hn )   4.2   2.3   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name hd1+ )   3.8   1.9   0.0
assign ( resid   6 and name   hb ) ( resid   6 and name   hn )   2.8   0.9   0.0
assign ( resid   6 and name hd1+ ) ( resid   6 and name   hn )   4.2   2.3   0.0
assign ( resid   6 and name hg1+ ) ( resid   6 and name   hn )   3.8   1.9   0.0
assign ( resid   6 and name hg2+ ) ( resid   6 and name   hn )   5.5   3.6   0.0
assign ( resid   6 and name hg2+ ) ( resid   7 and name hd2+ )   5.5   3.6   0.0
assign ( resid   6 and name hg2+ ) ( resid   7 and name   ha )   3.8   1.9   0.0
assign ( resid   6 and name hg2+ ) ( resid   7 and name  hb+ )   4.2   2.3   0.0
assign ( resid   6 and name   ha ) ( resid   8 and name   hn )   5.5   3.6   0.0
assign ( resid   6 and name hg2+ ) ( resid  26 and name  hg+ )   3.3   1.4   0.0
assign ( resid   6 and name   hb ) ( resid  27 and name  ha+ )   4.2   2.3   0.0
assign ( resid   6 and name hg2+ ) ( resid  27 and name  ha+ )   3.8   1.9   0.0
assign ( resid   6 and name   hn ) ( resid  27 and name  ha+ )   5.5   3.6   0.0
assign ( resid   6 and name hd1+ ) ( resid  77 and name  hd+ )   4.2   2.3   0.0
assign ( resid   6 and name   hn ) ( resid  78 and name hg2+ )   5.5   3.6   0.0
assign ( resid   6 and name hd1+ ) ( resid  79 and name hd2+ )   4.2   2.3   0.0
assign ( resid   7 and name   ha ) ( resid   7 and name  hb+ )   3.3   1.4   0.0
assign ( resid   7 and name  hb+ ) ( resid   7 and name hd2+ )   3.8   1.9   0.0
assign ( resid   7 and name  hb+ ) ( resid   7 and name   hn )   4.2   2.3   0.0
assign ( resid   7 and name hd2+ ) ( resid   7 and name   hn )   5.5   3.6   0.0
assign ( resid   7 and name   ha ) ( resid   8 and name   hn )   3.3   1.4   0.0
assign ( resid   7 and name  hb+ ) ( resid   8 and name   hn )   5.5   3.6   0.0
assign ( resid   7 and name   hn ) ( resid   8 and name   hn )   3.3   1.4   0.0
assign ( resid   7 and name hd2+ ) ( resid  10 and name   ha )   5.5   3.6   0.0
assign ( resid   7 and name hd2+ ) ( resid  12 and name   hn )   3.8   1.9   0.0
assign ( resid   7 and name hd2+ ) ( resid  12 and name  hb+ )   5.5   3.6   0.0
assign ( resid   7 and name hd2+ ) ( resid  13 and name  hg1 )   4.2   2.3   0.0
assign ( resid   7 and name hd2+ ) ( resid  13 and name hg2+ )   5.5   3.6   0.0
assign ( resid   7 and name hd2+ ) ( resid  13 and name   hn )   5.5   3.6   0.0
assign ( resid   7 and name hd2+ ) ( resid  25 and name hg1+ )   3.8   1.9   0.0
assign ( resid   7 and name hd2+ ) ( resid  26 and name   hn )   5.5   3.6   0.0
assign ( resid   7 and name hd2+ ) ( resid  28 and name  hd1 )   5.5   3.6   0.0
assign ( resid   8 and name  ha+ ) ( resid   8 and name   hn )   4.2   2.3   0.0
assign ( resid   8 and name   hn ) ( resid   9 and name   hn )   3.3   1.4   0.0
assign ( resid   8 and name   hn ) ( resid  10 and name   hn )   5.5   3.6   0.0
assign ( resid   8 and name  ha+ ) ( resid  28 and name  he1 )   2.8   0.9   0.0
assign ( resid   9 and name  ha+ ) ( resid   9 and name   hn )   3.8   1.9   0.0
assign ( resid   9 and name  ha+ ) ( resid  10 and name   hn )   5.5   3.6   0.0
!removed 04/06/01 assign ( resid   9 and name   hn ) ( resid  10 and name   ha )   4.2   2.3   0.0
assign ( resid   9 and name   hn ) ( resid  10 and name   hn )   2.8   0.9   0.0
assign ( resid   9 and name  ha+ ) ( resid  11 and name   hn )   5.5   3.6   0.0
assign ( resid   9 and name  ha+ ) ( resid 161 and name   hn )   3.3   1.4   0.0
assign ( resid  10 and name   ha ) ( resid  10 and name  hb+ )   3.3   1.4   0.0
assign ( resid  10 and name   ha ) ( resid  10 and name   hn )   2.8   0.9   0.0
assign ( resid  10 and name   ha ) ( resid  11 and name   hn )   3.3   1.4   0.0
assign ( resid  10 and name   hn ) ( resid  11 and name   hn )   3.3   1.4   0.0
assign ( resid  10 and name   ha ) ( resid  25 and name hg1+ )   5.5   3.6   0.0
assign ( resid  10 and name   hn ) ( resid  28 and name  he1 )   5.5   3.6   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name  hb+ )   3.3   1.4   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name  hg+ )   5.5   3.6   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name   hn )   3.8   1.9   0.0
assign ( resid  11 and name  hb+ ) ( resid  11 and name   hn )   2.8   0.9   0.0
assign ( resid  11 and name  hg+ ) ( resid  11 and name   hn )   2.8   0.9   0.0
assign ( resid  11 and name   ha ) ( resid  12 and name   hn )   5.5   3.6   0.0
assign ( resid  11 and name   hn ) ( resid  12 and name   hn )   2.8   0.9   0.0
assign ( resid  11 and name   ha ) ( resid  13 and name   hn )   5.5   3.6   0.0
assign ( resid  11 and name   ha ) ( resid  44 and name hg++ )   5.5   3.6   0.0
assign ( resid  11 and name   ha ) ( resid  55 and name  hd+ )   3.8   1.9   0.0
assign ( resid  11 and name   ha ) ( resid  55 and name  he+ )   5.5   3.6   0.0
assign ( resid  11 and name   ha ) ( resid  55 and name  hg+ )   5.5   3.6   0.0
assign ( resid  12 and name  hb+ ) ( resid  12 and name   hn )   2.8   0.9   0.0
assign ( resid  12 and name  hb+ ) ( resid  13 and name   hn )   3.8   1.9   0.0
!removed 04/06/01 assign ( resid  12 and name   hn ) ( resid  13 and name   hb )   3.8   1.9   0.0
assign ( resid  12 and name   hn ) ( resid  13 and name   hn )   2.8   0.9   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name   hn )   5.5   3.6   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name hg2+ )   2.8   0.9   0.0
assign ( resid  13 and name   hb ) ( resid  13 and name   hn )   2.8   0.9   0.0
assign ( resid  13 and name  hg1 ) ( resid  13 and name hg2+ )   2.8   0.9   0.0
assign ( resid  13 and name hg2+ ) ( resid  13 and name   hn )   4.2   2.3   0.0
assign ( resid  13 and name   ha ) ( resid  14 and name  hd+ )   2.8   0.9   0.0
assign ( resid  13 and name  hg1 ) ( resid  14 and name  hd+ )   5.5   3.6   0.0
assign ( resid  13 and name hg2+ ) ( resid  14 and name  hd+ )   2.8   0.9   0.0
assign ( resid  13 and name hg2+ ) ( resid  25 and name hg1+ )   2.8   0.9   0.0
assign ( resid  13 and name  hg1 ) ( resid  26 and name   hn )   3.3   1.4   0.0
assign ( resid  13 and name hg2+ ) ( resid  26 and name   hn )   3.3   1.4   0.0
assign ( resid  14 and name   ha ) ( resid  14 and name  hb+ )   2.8   0.9   0.0
assign ( resid  14 and name   ha ) ( resid  14 and name  hg+ )   3.8   1.9   0.0
assign ( resid  14 and name  hb+ ) ( resid  14 and name  hd+ )   5.5   3.6   0.0
assign ( resid  14 and name  hd+ ) ( resid  14 and name  hg+ )   3.3   1.4   0.0
assign ( resid  14 and name   ha ) ( resid  15 and name  hb+ )   3.8   1.9   0.0
assign ( resid  14 and name   ha ) ( resid  15 and name   hn )   2.8   0.9   0.0
assign ( resid  14 and name  hb+ ) ( resid  15 and name   hn )   4.2   2.3   0.0
assign ( resid  14 and name   ha ) ( resid  55 and name  he+ )   5.5   3.6   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name   hn )   3.8   1.9   0.0
assign ( resid  15 and name  hb+ ) ( resid  15 and name   hn )   2.8   0.9   0.0
assign ( resid  15 and name   ha ) ( resid  16 and name   hn )   2.8   0.9   0.0
assign ( resid  15 and name  hb+ ) ( resid  16 and name  ha+ )   5.5   3.6   0.0
assign ( resid  15 and name  hb+ ) ( resid  16 and name   hn )   2.8   0.9   0.0
assign ( resid  15 and name   hn ) ( resid  16 and name   hn )   5.5   3.6   0.0
assign ( resid  15 and name   ha ) ( resid  44 and name   hb )   3.3   1.4   0.0
assign ( resid  15 and name   ha ) ( resid  44 and name   hn )   4.2   2.3   0.0
assign ( resid  15 and name  hb+ ) ( resid  44 and name   hn )   5.5   3.6   0.0
assign ( resid  15 and name  hb+ ) ( resid  44 and name   hb )   5.5   3.6   0.0
assign ( resid  15 and name  hb+ ) ( resid  46 and name   ha )   5.5   3.6   0.0
assign ( resid  15 and name  hb+ ) ( resid  46 and name   hn )   3.3   1.4   0.0
assign ( resid  15 and name  hb+ ) ( resid  46 and name  hg+ )   3.8   1.9   0.0
assign ( resid  15 and name  hb+ ) ( resid  55 and name  he+ )   3.8   1.9   0.0
assign ( resid  15 and name   hn ) ( resid  55 and name  he+ )   4.2   2.3   0.0
assign ( resid  16 and name  ha+ ) ( resid  16 and name   hn )   3.3   1.4   0.0
assign ( resid  16 and name  ha+ ) ( resid  17 and name   hn )   2.8   0.9   0.0
assign ( resid  16 and name   hn ) ( resid  17 and name   hn )   3.8   1.9   0.0
assign ( resid  16 and name   hn ) ( resid  43 and name  hg+ )   3.3   1.4   0.0
assign ( resid  16 and name   hn ) ( resid  44 and name   hb )   2.8   0.9   0.0
assign ( resid  16 and name   hn ) ( resid  44 and name   hn )   3.3   1.4   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name   hn )   5.5   3.6   0.0
assign ( resid  17 and name   ha ) ( resid  18 and name   hn )   2.8   0.9   0.0
assign ( resid  17 and name   ha ) ( resid  18 and name hg2+ )   3.3   1.4   0.0
assign ( resid  17 and name hg1+ ) ( resid  18 and name   hn )   2.8   0.9   0.0
assign ( resid  17 and name hg2+ ) ( resid  18 and name   hn )   2.8   0.9   0.0
assign ( resid  17 and name hg1+ ) ( resid  19 and name   hn )   4.2   2.3   0.0
assign ( resid  17 and name   ha ) ( resid  43 and name   ha )   2.8   0.9   0.0
assign ( resid  17 and name   ha ) ( resid  43 and name  hb+ )   4.2   2.3   0.0
assign ( resid  17 and name   ha ) ( resid  43 and name   hn )   5.5   3.6   0.0
assign ( resid  17 and name hg2+ ) ( resid  43 and name   ha )   3.8   1.9   0.0
assign ( resid  17 and name   ha ) ( resid  44 and name   hn )   4.2   2.3   0.0
assign ( resid  17 and name hg2+ ) ( resid  44 and name   hn )   5.5   3.6   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name   hb )   4.2   2.3   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name   hn )   3.8   1.9   0.0
assign ( resid  18 and name   hb ) ( resid  18 and name   hn )   2.8   0.9   0.0
assign ( resid  18 and name hg2+ ) ( resid  18 and name   hn )   2.8   0.9   0.0
assign ( resid  18 and name hg1+ ) ( resid  18 and name   hn )   3.8   1.9   0.0
assign ( resid  18 and name   ha ) ( resid  19 and name hg2+ )   4.2   2.3   0.0
assign ( resid  18 and name   ha ) ( resid  19 and name   hn )   2.8   0.9   0.0
assign ( resid  18 and name hg2+ ) ( resid  19 and name   hn )   3.8   1.9   0.0
assign ( resid  18 and name hg1+ ) ( resid  19 and name   hn )   3.3   1.4   0.0
assign ( resid  18 and name   hn ) ( resid  19 and name   hn )   5.5   3.6   0.0
assign ( resid  18 and name   ha ) ( resid  20 and name   hn )   3.8   1.9   0.0
assign ( resid  18 and name hg1+ ) ( resid  20 and name   hn )   2.8   0.9   0.0
assign ( resid  18 and name hg2+ ) ( resid  42 and name  hb1 )   3.3   1.4   0.0
assign ( resid  18 and name hg2+ ) ( resid  42 and name  hb2 )   3.8   1.9   0.0
assign ( resid  18 and name hg1+ ) ( resid  42 and name  hb1 )   4.2   2.3   0.0
assign ( resid  18 and name hg1+ ) ( resid  42 and name  hb2 )   5.5   3.6   0.0
assign ( resid  18 and name   hn ) ( resid  42 and name  hb2 )   4.2   2.3   0.0
assign ( resid  18 and name hg2+ ) ( resid  43 and name   ha )   3.3   1.4   0.0
assign ( resid  18 and name hg2+ ) ( resid  43 and name   hn )   5.5   3.6   0.0
assign ( resid  18 and name   hn ) ( resid  43 and name   ha )   3.8   1.9   0.0
assign ( resid  18 and name   hn ) ( resid  43 and name  hb+ )   3.8   1.9   0.0
assign ( resid  18 and name hg2+ ) ( resid  44 and name   hn )   3.3   1.4   0.0
assign ( resid  18 and name   hn ) ( resid  44 and name   hn )   3.8   1.9   0.0
assign ( resid  19 and name   hb ) ( resid  19 and name   hn )   4.2   2.3   0.0
assign ( resid  19 and name hg2+ ) ( resid  19 and name   hn )   3.3   1.4   0.0
assign ( resid  19 and name hg2+ ) ( resid  20 and name   hn )   3.8   1.9   0.0
assign ( resid  19 and name   hn ) ( resid  20 and name   hn )   2.8   0.9   0.0
assign ( resid  20 and name  hb+ ) ( resid  20 and name   hn )   2.8   0.9   0.0
assign ( resid  20 and name   ha ) ( resid  21 and name   hn )   2.8   0.9   0.0
assign ( resid  20 and name   ha ) ( resid  21 and name hd2+ )   5.5   3.6   0.0
assign ( resid  20 and name  hb+ ) ( resid  21 and name   hn )   5.5   3.6   0.0
assign ( resid  20 and name   hn ) ( resid  21 and name   hn )   4.2   2.3   0.0
assign ( resid  20 and name  hb+ ) ( resid  24 and name  ha+ )   5.5   3.6   0.0
assign ( resid  20 and name  hb+ ) ( resid  24 and name   hn )   5.5   3.6   0.0
assign ( resid  20 and name   hn ) ( resid  24 and name  ha+ )   4.2   2.3   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  hb+ )   3.3   1.4   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name hd1+ )   3.8   1.9   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name   hn )   3.3   1.4   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name hd2+ )   2.8   0.9   0.0
assign ( resid  21 and name hd2+ ) ( resid  21 and name   hn )   3.3   1.4   0.0
assign ( resid  21 and name hd1+ ) ( resid  21 and name   hn )   2.8   0.9   0.0
assign ( resid  21 and name   ha ) ( resid  22 and name   hn )   3.8   1.9   0.0
assign ( resid  21 and name  hb+ ) ( resid  22 and name   hn )   3.3   1.4   0.0
!removed 04/06/01 assign ( resid  21 and name hd2+ ) ( resid  22 and name   hn )   2.8   0.9   0.0
assign ( resid  21 and name   hn ) ( resid  22 and name   hn )   2.8   0.9   0.0
assign ( resid  21 and name   ha ) ( resid  30 and name  hb+ )   5.5   3.6   0.0
assign ( resid  21 and name   ha ) ( resid  30 and name hd2+ )   5.5   3.6   0.0
assign ( resid  21 and name   ha ) ( resid  30 and name hd1+ )   3.3   1.4   0.0
assign ( resid  21 and name  hb+ ) ( resid  30 and name hd1+ )   5.5   3.6   0.0
assign ( resid  21 and name  hb+ ) ( resid  30 and name   hn )   3.8   1.9   0.0
assign ( resid  21 and name hd2+ ) ( resid  30 and name  hb+ )   3.3   1.4   0.0
assign ( resid  21 and name hd2+ ) ( resid  30 and name hd1+ )   2.8   0.9   0.0
assign ( resid  21 and name hd2+ ) ( resid  30 and name   hn )   3.8   1.9   0.0
assign ( resid  21 and name hd1+ ) ( resid  30 and name   hn )   5.5   3.6   0.0
assign ( resid  21 and name hd1+ ) ( resid  31 and name   hn )   5.5   3.6   0.0
assign ( resid  21 and name hd2+ ) ( resid  32 and name hg2+ )   3.3   1.4   0.0
assign ( resid  21 and name hd1+ ) ( resid  32 and name   hn )   3.3   1.4   0.0
assign ( resid  21 and name hd2+ ) ( resid  42 and name  hb1 )   5.5   3.6   0.0
assign ( resid  21 and name hd2+ ) ( resid  42 and name  hb2 )   5.5   3.6   0.0
assign ( resid  22 and name  hb+ ) ( resid  23 and name  hg+ )   2.8   0.9   0.0
assign ( resid  22 and name  hb+ ) ( resid  23 and name   hn )   2.8   0.9   0.0
assign ( resid  22 and name  hb+ ) ( resid  24 and name   hn )   5.5   3.6   0.0
assign ( resid  22 and name   ha ) ( resid  29 and name   ha )   3.8   1.9   0.0
assign ( resid  22 and name   ha ) ( resid  30 and name   hn )   3.3   1.4   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name   hn )   3.3   1.4   0.0
assign ( resid  23 and name  hb+ ) ( resid  23 and name   hn )   3.8   1.9   0.0
assign ( resid  23 and name  hg+ ) ( resid  23 and name   hn )   2.8   0.9   0.0
assign ( resid  23 and name   ha ) ( resid  24 and name   hn )   5.5   3.6   0.0
assign ( resid  23 and name  hg+ ) ( resid  24 and name   hn )   3.8   1.9   0.0
assign ( resid  23 and name   hn ) ( resid  24 and name  ha+ )   5.5   3.6   0.0
assign ( resid  23 and name   hn ) ( resid  24 and name   hn )   2.8   0.9   0.0
assign ( resid  23 and name   ha ) ( resid  25 and name   hn )   5.5   3.6   0.0
assign ( resid  23 and name   hn ) ( resid  25 and name   hn )   5.5   3.6   0.0
assign ( resid  24 and name  ha+ ) ( resid  24 and name   hn )   3.3   1.4   0.0
assign ( resid  24 and name  ha+ ) ( resid  25 and name   hn )   3.8   1.9   0.0
assign ( resid  24 and name   hn ) ( resid  25 and name   hn )   2.8   0.9   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name   hn )   2.8   0.9   0.0
assign ( resid  25 and name   ha ) ( resid  26 and name   hn )   2.8   0.9   0.0
assign ( resid  25 and name hg1+ ) ( resid  26 and name   hn )   3.3   1.4   0.0
assign ( resid  25 and name   hb ) ( resid  28 and name   hn )   4.2   2.3   0.0
assign ( resid  25 and name hg1+ ) ( resid  28 and name   hn )   5.5   3.6   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name  hb+ )   3.8   1.9   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name  hg+ )   3.3   1.4   0.0
assign ( resid  26 and name  hb+ ) ( resid  26 and name   hn )   3.3   1.4   0.0
assign ( resid  26 and name   ha ) ( resid  27 and name  ha+ )   5.5   3.6   0.0
assign ( resid  26 and name  hg+ ) ( resid  27 and name   hn )   3.3   1.4   0.0
assign ( resid  26 and name   ha ) ( resid  28 and name   hn )   5.5   3.6   0.0
assign ( resid  27 and name  ha+ ) ( resid  27 and name   hn )   3.3   1.4   0.0
assign ( resid  27 and name  ha+ ) ( resid  28 and name   hn )   5.5   3.6   0.0
assign ( resid  27 and name   hn ) ( resid  28 and name   hn )   2.8   0.9   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hn )   3.8   1.9   0.0
assign ( resid  28 and name   ha ) ( resid  29 and name   hn )   2.8   0.9   0.0
assign ( resid  28 and name  hb+ ) ( resid  29 and name   hn )   3.3   1.4   0.0
assign ( resid  28 and name   hn ) ( resid  29 and name   hn )   5.5   3.6   0.0
assign ( resid  28 and name  hb+ ) ( resid  30 and name hd2+ )   3.8   1.9   0.0
assign ( resid  28 and name  hz2 ) ( resid  57 and name hd2+ )   5.5   3.6   0.0
assign ( resid  28 and name   ha ) ( resid  75 and name   ha )   3.8   1.9   0.0
assign ( resid  28 and name   ha ) ( resid  75 and name  hb+ )   5.5   3.6   0.0
assign ( resid  28 and name   ha ) ( resid  76 and name   hn )   3.3   1.4   0.0
assign ( resid  28 and name  hz2 ) ( resid 145 and name hg2+ )   3.3   1.4   0.0
assign ( resid  28 and name  hz2 ) ( resid 159 and name hg2+ )   3.3   1.4   0.0
assign ( resid  28 and name  hz2 ) ( resid 162 and name   hn )   4.2   2.3   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hb+ )   3.8   1.9   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name   hn )   3.8   1.9   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name   hn )   3.3   1.4   0.0
assign ( resid  29 and name   ha ) ( resid  30 and name hd1+ )   5.5   3.6   0.0
assign ( resid  29 and name   ha ) ( resid  30 and name   hn )   2.8   0.9   0.0
assign ( resid  29 and name  hb+ ) ( resid  30 and name   hn )   5.5   3.6   0.0
assign ( resid  29 and name   hn ) ( resid  30 and name hd2+ )   5.5   3.6   0.0
assign ( resid  29 and name   hn ) ( resid  30 and name   hn )   5.5   3.6   0.0
assign ( resid  29 and name   hn ) ( resid  73 and name   ha )   5.5   3.6   0.0
assign ( resid  29 and name  hb+ ) ( resid  74 and name   hn )   5.5   3.6   0.0
assign ( resid  29 and name   hn ) ( resid  74 and name   hb )   3.8   1.9   0.0
assign ( resid  29 and name   hn ) ( resid  74 and name hg2+ )   5.5   3.6   0.0
assign ( resid  29 and name   hn ) ( resid  74 and name   hn )   3.8   1.9   0.0
assign ( resid  29 and name   hn ) ( resid  75 and name   ha )   5.5   3.6   0.0
assign ( resid  29 and name   hn ) ( resid  75 and name  hb+ )   5.5   3.6   0.0
assign ( resid  29 and name   hn ) ( resid  76 and name   hn )   4.2   2.3   0.0
assign ( resid  30 and name  hb+ ) ( resid  30 and name   hn )   3.3   1.4   0.0
assign ( resid  30 and name hd2+ ) ( resid  30 and name   hn )   3.8   1.9   0.0
assign ( resid  30 and name hd1+ ) ( resid  30 and name   hn )   3.8   1.9   0.0
assign ( resid  30 and name  hb+ ) ( resid  31 and name   hn )   3.3   1.4   0.0
assign ( resid  30 and name hd2+ ) ( resid  31 and name   hn )   3.8   1.9   0.0
assign ( resid  30 and name   ha ) ( resid  73 and name   ha )   3.3   1.4   0.0
assign ( resid  30 and name hd2+ ) ( resid  73 and name   ha )   2.8   0.9   0.0
assign ( resid  30 and name hd2+ ) ( resid  73 and name  hb+ )   2.8   0.9   0.0
assign ( resid  30 and name hd1+ ) ( resid  73 and name   ha )   5.5   3.6   0.0
assign ( resid  30 and name hd2+ ) ( resid  74 and name   hn )   3.3   1.4   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name hd2+ )   3.3   1.4   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name   hn )   2.8   0.9   0.0
assign ( resid  31 and name hd2+ ) ( resid  31 and name   hn )   5.5   3.6   0.0
assign ( resid  31 and name  hb+ ) ( resid  32 and name   hn )   3.3   1.4   0.0
assign ( resid  31 and name   hn ) ( resid  32 and name hg2+ )   5.5   3.6   0.0
assign ( resid  31 and name   hn ) ( resid  32 and name   hn )   5.5   3.6   0.0
assign ( resid  31 and name  hb+ ) ( resid  72 and name   hn )   5.5   3.6   0.0
assign ( resid  31 and name   hn ) ( resid  72 and name  hb+ )   4.2   2.3   0.0
assign ( resid  31 and name   hn ) ( resid  72 and name   hn )   3.3   1.4   0.0
assign ( resid  31 and name   hn ) ( resid  73 and name   ha )   5.5   3.6   0.0
assign ( resid  31 and name   hn ) ( resid  74 and name   hn )   5.5   3.6   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name   hb )   3.8   1.9   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name   hn )   3.8   1.9   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name hg1+ )   3.3   1.4   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name hg2+ )   3.3   1.4   0.0
!removed 21/05/01: assign ( resid  32 and name   hb ) ( resid  32 and name   hn )   2.8   0.9   0.0
assign ( resid  32 and name hg1+ ) ( resid  32 and name   hn )   3.8   1.9   0.0
assign ( resid  32 and name hg2+ ) ( resid  32 and name   hn )   2.8   0.9   0.0
assign ( resid  32 and name   ha ) ( resid  33 and name   hn )   2.8   0.9   0.0
assign ( resid  32 and name   ha ) ( resid  33 and name  ha+ )   5.5   3.6   0.0
assign ( resid  32 and name hg1+ ) ( resid  33 and name   hn )   3.3   1.4   0.0
assign ( resid  32 and name hg2+ ) ( resid  33 and name   hn )   5.5   3.6   0.0
assign ( resid  32 and name   hn ) ( resid  33 and name   hn )   5.5   3.6   0.0
assign ( resid  32 and name hg1+ ) ( resid  36 and name hg1+ )   3.3   1.4   0.0
assign ( resid  32 and name hg1+ ) ( resid  36 and name   hn )   4.2   2.3   0.0
assign ( resid  32 and name hg1+ ) ( resid  40 and name  hd+ )   3.8   1.9   0.0
assign ( resid  32 and name hg2+ ) ( resid  40 and name  hd+ )   3.8   1.9   0.0
assign ( resid  32 and name   ha ) ( resid  72 and name   hn )   5.5   3.6   0.0
assign ( resid  32 and name hg2+ ) ( resid  72 and name   hn )   5.5   3.6   0.0
assign ( resid  33 and name  ha+ ) ( resid  33 and name   hn )   3.8   1.9   0.0
assign ( resid  33 and name  ha+ ) ( resid  34 and name   hn )   5.5   3.6   0.0
assign ( resid  33 and name   hn ) ( resid  34 and name   hn )   5.5   3.6   0.0
assign ( resid  33 and name  ha+ ) ( resid  36 and name hg2+ )   5.5   3.6   0.0
assign ( resid  33 and name  ha+ ) ( resid  36 and name   hn )   5.5   3.6   0.0
assign ( resid  33 and name   hn ) ( resid  36 and name hg1+ )   5.5   3.6   0.0
assign ( resid  33 and name   hn ) ( resid  36 and name hg2+ )   3.3   1.4   0.0
assign ( resid  33 and name   hn ) ( resid  70 and name   ha )   3.3   1.4   0.0
assign ( resid  33 and name   hn ) ( resid  70 and name  hb+ )   5.5   3.6   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name   hn )   3.8   1.9   0.0
assign ( resid  34 and name   ha ) ( resid  35 and name   hn )   5.5   3.6   0.0
assign ( resid  34 and name   ha ) ( resid  36 and name   hn )   5.5   3.6   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name   hn )   4.2   2.3   0.0
assign ( resid  35 and name   ha ) ( resid  36 and name   hn )   3.8   1.9   0.0
assign ( resid  35 and name   hn ) ( resid  36 and name   hn )   3.3   1.4   0.0
assign ( resid  35 and name  hb+ ) ( resid  66 and name   hn )   3.8   1.9   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name   hb )   3.8   1.9   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name hg1+ )   2.8   0.9   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name   hn )   2.8   0.9   0.0
assign ( resid  36 and name   hb ) ( resid  36 and name   hn )   2.8   0.9   0.0
assign ( resid  36 and name hg1+ ) ( resid  36 and name   hn )   3.3   1.4   0.0
assign ( resid  36 and name hg2+ ) ( resid  36 and name   hn )   2.8   0.9   0.0
assign ( resid  36 and name   ha ) ( resid  37 and name   ha )   5.5   3.6   0.0
assign ( resid  36 and name   ha ) ( resid  37 and name hg2+ )   5.5   3.6   0.0
assign ( resid  36 and name   ha ) ( resid  37 and name   hn )   2.8   0.9   0.0
assign ( resid  36 and name hg1+ ) ( resid  37 and name   hn )   3.8   1.9   0.0
assign ( resid  36 and name hg1+ ) ( resid  37 and name   ha )   4.2   2.3   0.0
assign ( resid  36 and name   ha ) ( resid  38 and name   hn )   3.3   1.4   0.0
assign ( resid  36 and name hg1+ ) ( resid  38 and name   ha )   5.5   3.6   0.0
assign ( resid  36 and name hg1+ ) ( resid  39 and name   ha )   3.3   1.4   0.0
assign ( resid  36 and name hg1+ ) ( resid  40 and name  hd+ )   4.2   2.3   0.0
assign ( resid  36 and name   ha ) ( resid  65 and name  ha+ )   5.5   3.6   0.0
assign ( resid  36 and name   ha ) ( resid  65 and name   hn )   5.5   3.6   0.0
assign ( resid  36 and name hg1+ ) ( resid  71 and name hg1+ )   5.5   3.6   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name hg2+ )   2.8   0.9   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name   hn )   3.3   1.4   0.0
assign ( resid  37 and name   hb ) ( resid  37 and name   hn )   3.3   1.4   0.0
assign ( resid  37 and name   ha ) ( resid  38 and name   hn )   3.3   1.4   0.0
assign ( resid  37 and name   hb ) ( resid  38 and name   hn )   2.8   0.9   0.0
assign ( resid  37 and name hg2+ ) ( resid  38 and name   hn )   4.2   2.3   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name   hn )   2.8   0.9   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  hb+ )   3.3   1.4   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name   hn )   3.8   1.9   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name hd2+ )   5.5   3.6   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name hd2+ )   4.2   2.3   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name   hn )   3.3   1.4   0.0
assign ( resid  38 and name   ha ) ( resid  39 and name  hd+ )   2.8   0.9   0.0
assign ( resid  38 and name hd2+ ) ( resid  62 and name  hb+ )   5.5   3.6   0.0
assign ( resid  38 and name  hb+ ) ( resid  63 and name  ha+ )   5.5   3.6   0.0
assign ( resid  38 and name  hb+ ) ( resid  63 and name   hn )   5.5   3.6   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name  hg+ )   3.8   1.9   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name  hd+ )   2.8   0.9   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name  hg+ )   5.5   3.6   0.0
assign ( resid  39 and name  hb+ ) ( resid  40 and name  hd+ )   5.5   3.6   0.0
assign ( resid  40 and name   ha ) ( resid  41 and name hg2+ )   3.8   1.9   0.0
assign ( resid  40 and name   ha ) ( resid  41 and name   hn )   2.8   0.9   0.0
assign ( resid  40 and name  hb+ ) ( resid  41 and name   hn )   4.2   2.3   0.0
assign ( resid  40 and name  hb+ ) ( resid  59 and name hg1+ )   5.5   3.6   0.0
assign ( resid  40 and name   ha ) ( resid  61 and name   ha )   5.5   3.6   0.0
assign ( resid  40 and name  hb+ ) ( resid  61 and name   ha )   5.5   3.6   0.0
assign ( resid  40 and name   ha ) ( resid  62 and name hd2+ )   4.2   2.3   0.0
assign ( resid  40 and name   ha ) ( resid  62 and name   hn )   3.8   1.9   0.0
assign ( resid  40 and name  hb+ ) ( resid  71 and name hd1+ )   4.2   2.3   0.0
assign ( resid  40 and name  hd+ ) ( resid  71 and name hg2+ )   5.5   3.6   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hb )   3.8   1.9   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hn )   3.8   1.9   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name   hn )   2.8   0.9   0.0
assign ( resid  41 and name hg2+ ) ( resid  41 and name   hn )   2.8   0.9   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name   ha )   5.5   3.6   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name  hd+ )   5.5   3.6   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name   hn )   2.8   0.9   0.0
assign ( resid  41 and name hg2+ ) ( resid  42 and name   ha )   5.5   3.6   0.0
assign ( resid  41 and name hg1+ ) ( resid  42 and name   ha )   5.5   3.6   0.0
assign ( resid  41 and name hg1+ ) ( resid  42 and name   hn )   2.8   0.9   0.0
assign ( resid  41 and name   hn ) ( resid  42 and name   hn )   5.5   3.6   0.0
assign ( resid  41 and name hg1+ ) ( resid  43 and name   hn )   3.3   1.4   0.0
assign ( resid  41 and name   hn ) ( resid  59 and name hg1+ )   5.5   3.6   0.0
assign ( resid  41 and name hg2+ ) ( resid  60 and name   hn )   3.8   1.9   0.0
assign ( resid  41 and name   hn ) ( resid  60 and name   hb )   3.3   1.4   0.0
assign ( resid  41 and name   hn ) ( resid  60 and name   hn )   3.3   1.4   0.0
assign ( resid  41 and name hg2+ ) ( resid  62 and name hd2+ )   3.3   1.4   0.0
assign ( resid  41 and name   hn ) ( resid  62 and name hd2+ )   5.5   3.6   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hb1 )   3.8   1.9   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hb2 )   4.2   2.3   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hd+ )   3.8   1.9   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name   hn )   3.8   1.9   0.0
assign ( resid  42 and name  hb1 ) ( resid  42 and name   hn )   3.3   1.4   0.0
assign ( resid  42 and name  hb2 ) ( resid  42 and name   hn )   2.8   0.9   0.0
assign ( resid  42 and name   ha ) ( resid  43 and name   hn )   2.8   0.9   0.0
assign ( resid  42 and name  hb1 ) ( resid  43 and name   hn )   3.8   1.9   0.0
assign ( resid  42 and name  hb2 ) ( resid  43 and name   hn )   5.5   3.6   0.0
assign ( resid  42 and name   hn ) ( resid  43 and name   hn )   5.5   3.6   0.0
assign ( resid  42 and name   ha ) ( resid  57 and name hd1+ )   5.5   3.6   0.0
assign ( resid  42 and name  hb1 ) ( resid  57 and name hd1+ )   3.3   1.4   0.0
assign ( resid  42 and name  hb1 ) ( resid  57 and name hd2+ )   5.5   3.6   0.0
assign ( resid  42 and name  hb2 ) ( resid  57 and name hd1+ )   4.2   2.3   0.0
assign ( resid  42 and name   ha ) ( resid  58 and name  hb+ )   5.5   3.6   0.0
assign ( resid  42 and name   ha ) ( resid  59 and name   ha )   3.8   1.9   0.0
assign ( resid  42 and name   ha ) ( resid  59 and name hg1+ )   5.5   3.6   0.0
assign ( resid  42 and name   ha ) ( resid  59 and name hg2+ )   5.5   3.6   0.0
assign ( resid  42 and name  hd+ ) ( resid  59 and name hg1+ )   3.8   1.9   0.0
assign ( resid  42 and name  he+ ) ( resid  59 and name hg1+ )   5.5   3.6   0.0
assign ( resid  42 and name   ha ) ( resid  60 and name   hn )   5.5   3.6   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name   hn )   3.8   1.9   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name   hn )   5.5   3.6   0.0
assign ( resid  43 and name  hg+ ) ( resid  43 and name   hn )   5.5   3.6   0.0
assign ( resid  43 and name   ha ) ( resid  44 and name   hn )   2.8   0.9   0.0
assign ( resid  43 and name  hb+ ) ( resid  44 and name   hn )   5.5   3.6   0.0
assign ( resid  43 and name  hg+ ) ( resid  44 and name   hn )   3.8   1.9   0.0
assign ( resid  43 and name   hn ) ( resid  44 and name   hn )   5.5   3.6   0.0
assign ( resid  43 and name  hg+ ) ( resid  45 and name   hn )   5.5   3.6   0.0
assign ( resid  43 and name   hn ) ( resid  57 and name hd1+ )   2.8   0.9   0.0
assign ( resid  43 and name   hn ) ( resid  59 and name hg2+ )   5.5   3.6   0.0
assign ( resid  43 and name   hn ) ( resid  60 and name   hn )   5.5   3.6   0.0
assign ( resid  44 and name   hb ) ( resid  44 and name   hn )   2.8   0.9   0.0
assign ( resid  44 and name   hn ) ( resid  45 and name   hn )   5.5   3.6   0.0
assign ( resid  44 and name hg++ ) ( resid  55 and name   ha )   5.5   3.6   0.0
assign ( resid  44 and name   hn ) ( resid  57 and name hd1+ )   5.5   3.6   0.0
assign ( resid  44 and name hg++ ) ( resid  58 and name   hn )   3.8   1.9   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name   hn )   3.8   1.9   0.0
assign ( resid  45 and name hd2+ ) ( resid  45 and name   hn )   3.8   1.9   0.0
assign ( resid  45 and name   ha ) ( resid  46 and name   hn )   2.8   0.9   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name   hn )   4.2   2.3   0.0
assign ( resid  45 and name hd2+ ) ( resid  46 and name   hn )   3.3   1.4   0.0
assign ( resid  45 and name hd1+ ) ( resid  46 and name   hn )   3.3   1.4   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name   hn )   4.2   2.3   0.0
assign ( resid  45 and name   hn ) ( resid  55 and name   ha )   5.5   3.6   0.0
assign ( resid  45 and name   hn ) ( resid  56 and name   hn )   2.8   0.9   0.0
assign ( resid  45 and name   hn ) ( resid  56 and name hg2+ )   3.8   1.9   0.0
assign ( resid  45 and name hd1+ ) ( resid  58 and name   hn )   5.5   3.6   0.0
assign ( resid  45 and name   hn ) ( resid  58 and name   hn )   5.5   3.6   0.0
assign ( resid  45 and name hd2+ ) ( resid 158 and name  hd+ )   4.2   2.3   0.0
assign ( resid  45 and name hd1+ ) ( resid 158 and name  he+ )   2.8   0.9   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name  hb+ )   3.8   1.9   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name   hn )   3.3   1.4   0.0
assign ( resid  46 and name  hb+ ) ( resid  46 and name   hn )   2.8   0.9   0.0
assign ( resid  46 and name  hg+ ) ( resid  46 and name   hn )   3.3   1.4   0.0
assign ( resid  46 and name   ha ) ( resid  47 and name hg2+ )   4.2   2.3   0.0
assign ( resid  46 and name   ha ) ( resid  47 and name   hn )   2.8   0.9   0.0
assign ( resid  46 and name  hg+ ) ( resid  47 and name   hn )   3.8   1.9   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name   hn )   4.2   2.3   0.0
assign ( resid  46 and name   ha ) ( resid  55 and name   ha )   3.3   1.4   0.0
assign ( resid  46 and name   ha ) ( resid  55 and name  hg+ )   5.5   3.6   0.0
assign ( resid  47 and name   hb ) ( resid  47 and name   hn )   3.8   1.9   0.0
assign ( resid  47 and name   ha ) ( resid  48 and name   hn )   3.8   1.9   0.0
assign ( resid  47 and name   hb ) ( resid  48 and name   hn )   5.5   3.6   0.0
assign ( resid  47 and name   hb ) ( resid  49 and name   hn )   4.2   2.3   0.0
assign ( resid  47 and name   hb ) ( resid  50 and name   hn )   5.5   3.6   0.0
assign ( resid  47 and name   hn ) ( resid  54 and name   ha )   3.8   1.9   0.0
assign ( resid  47 and name   hn ) ( resid  54 and name  hb+ )   5.5   3.6   0.0
assign ( resid  47 and name   hn ) ( resid  55 and name   ha )   4.2   2.3   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name  hb+ )   2.8   0.9   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name   hn )   5.5   3.6   0.0
assign ( resid  48 and name   ha ) ( resid  49 and name   hn )   3.8   1.9   0.0
assign ( resid  48 and name  hb+ ) ( resid  49 and name   hn )   5.5   3.6   0.0
assign ( resid  48 and name   ha ) ( resid  50 and name   hn )   3.8   1.9   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name   hn )   2.8   0.9   0.0
assign ( resid  49 and name   hn ) ( resid  50 and name  hb+ )   5.5   3.6   0.0
assign ( resid  49 and name   hn ) ( resid  50 and name   hn )   2.8   0.9   0.0
assign ( resid  49 and name  hb+ ) ( resid 125 and name  he1 )   3.8   1.9   0.0
assign ( resid  50 and name  hb+ ) ( resid  50 and name   hn )   2.8   0.9   0.0
assign ( resid  50 and name  hb+ ) ( resid  51 and name  hd+ )   3.8   1.9   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name  hd+ )   5.5   3.6   0.0
assign ( resid  50 and name   ha ) ( resid  52 and name   hn )   4.2   2.3   0.0
assign ( resid  50 and name  hb+ ) ( resid  54 and name   ha )   2.8   0.9   0.0
assign ( resid  50 and name  hb+ ) ( resid  54 and name   hn )   5.5   3.6   0.0
assign ( resid  50 and name   hn ) ( resid  54 and name   ha )   5.5   3.6   0.0
assign ( resid  50 and name  hb+ ) ( resid  55 and name   hn )   5.5   3.6   0.0
assign ( resid  50 and name   ha ) ( resid  56 and name hg1+ )   2.8   0.9   0.0
assign ( resid  50 and name   ha ) ( resid 125 and name  he1 )   5.5   3.6   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name  hb+ )   2.8   0.9   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name  hg+ )   3.8   1.9   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name  hd+ )   5.5   3.6   0.0
assign ( resid  51 and name  hd+ ) ( resid  51 and name  hg+ )   4.2   2.3   0.0
assign ( resid  51 and name  hb+ ) ( resid  52 and name   hn )   5.5   3.6   0.0
assign ( resid  51 and name  hd+ ) ( resid  52 and name   hn )   5.5   3.6   0.0
assign ( resid  51 and name  hb+ ) ( resid  56 and name hg1+ )   5.5   3.6   0.0
assign ( resid  51 and name  hd+ ) ( resid  56 and name hg1+ )   3.8   1.9   0.0
assign ( resid  51 and name  hd+ ) ( resid 125 and name  hz2 )   5.5   3.6   0.0
assign ( resid  51 and name  hd+ ) ( resid 125 and name  he1 )   4.2   2.3   0.0
assign ( resid  51 and name  hg+ ) ( resid 125 and name  he1 )   5.5   3.6   0.0
assign ( resid  51 and name  hd+ ) ( resid 160 and name  hb+ )   5.5   3.6   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  hb+ )   3.8   1.9   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  hg+ )   4.2   2.3   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name   hn )   3.3   1.4   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name   hn )   5.5   3.6   0.0
assign ( resid  52 and name   ha ) ( resid  53 and name   hn )   3.3   1.4   0.0
assign ( resid  52 and name  hg+ ) ( resid  53 and name   hn )   5.5   3.6   0.0
assign ( resid  52 and name   hn ) ( resid  53 and name   hn )   5.5   3.6   0.0
assign ( resid  52 and name   hn ) ( resid  56 and name hg1+ )   4.2   2.3   0.0
assign ( resid  53 and name  ha+ ) ( resid  53 and name   hn )   3.8   1.9   0.0
assign ( resid  53 and name  ha+ ) ( resid  54 and name  hb+ )   5.5   3.6   0.0
assign ( resid  53 and name  ha+ ) ( resid  54 and name   hn )   2.8   0.9   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name   hn )   5.5   3.6   0.0
assign ( resid  53 and name  ha+ ) ( resid  55 and name   hn )   4.2   2.3   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name  hb+ )   2.8   0.9   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name   hn )   3.3   1.4   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name   hn )   3.3   1.4   0.0
assign ( resid  54 and name   ha ) ( resid  55 and name   hn )   3.8   1.9   0.0
assign ( resid  54 and name  hb+ ) ( resid  55 and name   hn )   4.2   2.3   0.0
assign ( resid  54 and name   hn ) ( resid  55 and name   hn )   2.8   0.9   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name  hb+ )   5.5   3.6   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name  hd+ )   4.2   2.3   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name  hg+ )   4.2   2.3   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name   hn )   5.5   3.6   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name   hn )   3.3   1.4   0.0
assign ( resid  55 and name  hg+ ) ( resid  55 and name   hn )   4.2   2.3   0.0
assign ( resid  55 and name   ha ) ( resid  56 and name   hn )   2.8   0.9   0.0
assign ( resid  55 and name   ha ) ( resid  56 and name hg1+ )   5.5   3.6   0.0
assign ( resid  55 and name  hb+ ) ( resid  56 and name   hn )   3.3   1.4   0.0
assign ( resid  55 and name   hn ) ( resid  56 and name   hn )   5.5   3.6   0.0
assign ( resid  56 and name   hb ) ( resid  56 and name   hn )   5.5   3.6   0.0
assign ( resid  56 and name hg1+ ) ( resid  56 and name   hn )   3.3   1.4   0.0
assign ( resid  56 and name   ha ) ( resid  57 and name   hn )   2.8   0.9   0.0
assign ( resid  56 and name   hb ) ( resid  57 and name   hn )   2.8   0.9   0.0
assign ( resid  56 and name hg2+ ) ( resid  57 and name   hn )   5.5   3.6   0.0
assign ( resid  56 and name hg1+ ) ( resid  57 and name   hn )   3.8   1.9   0.0
assign ( resid  56 and name hg2+ ) ( resid  58 and name   hn )   5.5   3.6   0.0
assign ( resid  56 and name   hb ) ( resid 125 and name  hh2 )   5.5   3.6   0.0
assign ( resid  56 and name hg2+ ) ( resid 125 and name  hz2 )   5.5   3.6   0.0
assign ( resid  56 and name hg1+ ) ( resid 125 and name  he1 )   5.5   3.6   0.0
assign ( resid  56 and name hg1+ ) ( resid 125 and name  hh2 )   5.5   3.6   0.0
assign ( resid  56 and name hg1+ ) ( resid 125 and name  hz2 )   3.3   1.4   0.0
assign ( resid  56 and name hg2+ ) ( resid 158 and name   ha )   5.5   3.6   0.0
assign ( resid  56 and name hg2+ ) ( resid 158 and name  hd+ )   3.3   1.4   0.0
assign ( resid  56 and name   hb ) ( resid 159 and name   hn )   5.5   3.6   0.0
assign ( resid  56 and name hg2+ ) ( resid 159 and name   hn )   3.8   1.9   0.0
assign ( resid  56 and name hg1+ ) ( resid 160 and name   ha )   5.5   3.6   0.0
assign ( resid  56 and name hg1+ ) ( resid 160 and name  hb+ )   3.3   1.4   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name   hn )   4.2   2.3   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name hd1+ )   3.3   1.4   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name hd2+ )   3.3   1.4   0.0
assign ( resid  57 and name hd1+ ) ( resid  57 and name   hn )   5.5   3.6   0.0
assign ( resid  57 and name hd2+ ) ( resid  57 and name   hn )   5.5   3.6   0.0
assign ( resid  57 and name  hb+ ) ( resid  58 and name   hn )   5.5   3.6   0.0
assign ( resid  57 and name hd2+ ) ( resid  58 and name   hn )   5.5   3.6   0.0
assign ( resid  57 and name hd2+ ) ( resid  73 and name  hb+ )   2.8   0.9   0.0
assign ( resid  57 and name hd2+ ) ( resid 158 and name   ha )   3.8   1.9   0.0
assign ( resid  57 and name  hb+ ) ( resid 159 and name hd1+ )   5.5   3.6   0.0
assign ( resid  57 and name hd2+ ) ( resid 159 and name   hb )   5.5   3.6   0.0
assign ( resid  57 and name hd2+ ) ( resid 159 and name hd1+ )   2.8   0.9   0.0
assign ( resid  57 and name hd2+ ) ( resid 159 and name hg1+ )   4.2   2.3   0.0
assign ( resid  57 and name   hn ) ( resid 159 and name hd1+ )   5.5   3.6   0.0
assign ( resid  57 and name   hn ) ( resid 159 and name hg1+ )   4.2   2.3   0.0
assign ( resid  57 and name   hn ) ( resid 159 and name   hn )   3.8   1.9   0.0
assign ( resid  57 and name   hn ) ( resid 160 and name   ha )   5.5   3.6   0.0
assign ( resid  58 and name  hb+ ) ( resid 156 and name hg2+ )   2.8   0.9   0.0
assign ( resid  58 and name   ha ) ( resid 158 and name   ha )   3.3   1.4   0.0
assign ( resid  58 and name   ha ) ( resid 158 and name  hd+ )   5.5   3.6   0.0
assign ( resid  58 and name   ha ) ( resid 159 and name   hn )   3.8   1.9   0.0
assign ( resid  59 and name   hb ) ( resid  59 and name   hn )   2.8   0.9   0.0
assign ( resid  59 and name hg1+ ) ( resid  59 and name   hn )   3.3   1.4   0.0
assign ( resid  59 and name hg2+ ) ( resid  59 and name   hn )   2.8   0.9   0.0
assign ( resid  59 and name   hb ) ( resid  60 and name   hn )   3.8   1.9   0.0
assign ( resid  59 and name hg1+ ) ( resid  60 and name   hn )   3.3   1.4   0.0
assign ( resid  59 and name hg2+ ) ( resid  60 and name   hn )   3.8   1.9   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name   hn )   4.2   2.3   0.0
assign ( resid  59 and name hg1+ ) ( resid  61 and name   ha )   5.5   3.6   0.0
assign ( resid  59 and name hg1+ ) ( resid  61 and name   hn )   5.5   3.6   0.0
assign ( resid  59 and name hg1+ ) ( resid  61 and name hg2+ )   2.8   0.9   0.0
assign ( resid  59 and name hg1+ ) ( resid  71 and name hd1+ )   5.5   3.6   0.0
assign ( resid  59 and name hg1+ ) ( resid  71 and name hg2+ )   3.3   1.4   0.0
assign ( resid  59 and name hg2+ ) ( resid  71 and name hg2+ )   4.2   2.3   0.0
assign ( resid  59 and name hg1+ ) ( resid  73 and name  hb+ )   5.5   3.6   0.0
assign ( resid  59 and name hg2+ ) ( resid  73 and name  hb+ )   3.8   1.9   0.0
assign ( resid  59 and name   hn ) ( resid 156 and name hg2+ )   3.3   1.4   0.0
assign ( resid  59 and name hg1+ ) ( resid 157 and name   hb )   3.8   1.9   0.0
assign ( resid  59 and name hg1+ ) ( resid 157 and name hd1+ )   3.8   1.9   0.0
assign ( resid  59 and name hg1+ ) ( resid 157 and name   hn )   4.2   2.3   0.0
assign ( resid  59 and name hg2+ ) ( resid 157 and name hd1+ )   5.5   3.6   0.0
assign ( resid  59 and name   hn ) ( resid 157 and name   hb )   4.2   2.3   0.0
assign ( resid  59 and name   hn ) ( resid 157 and name hd1+ )   5.5   3.6   0.0
assign ( resid  59 and name   hn ) ( resid 157 and name   hn )   3.3   1.4   0.0
assign ( resid  59 and name   hn ) ( resid 158 and name   ha )   3.8   1.9   0.0
assign ( resid  59 and name   hn ) ( resid 158 and name   hn )   5.5   3.6   0.0
assign ( resid  60 and name   hb ) ( resid  60 and name   hn )   2.8   0.9   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name   hn )   2.8   0.9   0.0
assign ( resid  60 and name   hn ) ( resid  61 and name   hn )   5.5   3.6   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name   hb )   4.2   2.3   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name   hn )   4.2   2.3   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name hg2+ )   2.8   0.9   0.0
assign ( resid  61 and name   hb ) ( resid  61 and name   hn )   2.8   0.9   0.0
assign ( resid  61 and name hg2+ ) ( resid  61 and name   hn )   2.8   0.9   0.0
assign ( resid  61 and name   ha ) ( resid  62 and name   hn )   2.8   0.9   0.0
assign ( resid  61 and name hg2+ ) ( resid  62 and name   hn )   5.5   3.6   0.0
assign ( resid  61 and name   hn ) ( resid  62 and name   hn )   5.5   3.6   0.0
assign ( resid  61 and name   ha ) ( resid  63 and name   hn )   5.5   3.6   0.0
assign ( resid  61 and name hg2+ ) ( resid 152 and name  hb+ )   3.8   1.9   0.0
assign ( resid  61 and name   hb ) ( resid 153 and name   ha )   5.5   3.6   0.0
assign ( resid  61 and name hg1+ ) ( resid 153 and name   ha )   2.8   0.9   0.0
assign ( resid  61 and name   hn ) ( resid 153 and name   ha )   5.5   3.6   0.0
assign ( resid  61 and name   hb ) ( resid 154 and name   hn )   5.5   3.6   0.0
assign ( resid  61 and name   hn ) ( resid 155 and name   hn )   5.5   3.6   0.0
assign ( resid  61 and name   hn ) ( resid 156 and name   ha )   3.3   1.4   0.0
assign ( resid  61 and name   hn ) ( resid 157 and name   hn )   5.5   3.6   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name   hn )   3.8   1.9   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name hd2+ )   3.8   1.9   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name   hn )   3.8   1.9   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name   hn )   4.2   2.3   0.0
assign ( resid  62 and name  hb+ ) ( resid  63 and name   hn )   5.5   3.6   0.0
assign ( resid  62 and name   hn ) ( resid  63 and name   hn )   2.8   0.9   0.0
assign ( resid  62 and name   ha ) ( resid 153 and name hg1+ )   3.8   1.9   0.0
assign ( resid  62 and name   ha ) ( resid 154 and name   hn )   3.8   1.9   0.0
assign ( resid  62 and name   hn ) ( resid 157 and name hd1+ )   5.5   3.6   0.0
assign ( resid  63 and name  ha+ ) ( resid  63 and name   hn )   5.5   3.6   0.0
assign ( resid  63 and name  ha+ ) ( resid  64 and name hg1+ )   5.5   3.6   0.0
assign ( resid  63 and name  ha+ ) ( resid  64 and name   hn )   3.3   1.4   0.0
assign ( resid  63 and name   hn ) ( resid  64 and name hg1+ )   4.2   2.3   0.0
assign ( resid  63 and name   hn ) ( resid  64 and name   hn )   5.5   3.6   0.0
assign ( resid  63 and name   hn ) ( resid  71 and name hd1+ )   5.5   3.6   0.0
assign ( resid  63 and name  ha+ ) ( resid 153 and name hg2+ )   3.8   1.9   0.0
assign ( resid  63 and name  ha+ ) ( resid 153 and name hg1+ )   3.8   1.9   0.0
assign ( resid  63 and name   hn ) ( resid 153 and name hg2+ )   3.8   1.9   0.0
assign ( resid  64 and name   hb ) ( resid  64 and name   hn )   3.8   1.9   0.0
assign ( resid  64 and name hg2+ ) ( resid  64 and name   hn )   2.8   0.9   0.0
assign ( resid  64 and name hg1+ ) ( resid  64 and name   hn )   2.8   0.9   0.0
assign ( resid  64 and name   hb ) ( resid  65 and name   hn )   2.8   0.9   0.0
assign ( resid  64 and name hg1+ ) ( resid  65 and name   hn )   3.3   1.4   0.0
assign ( resid  64 and name hg1+ ) ( resid 148 and name   hn )   5.5   3.6   0.0
assign ( resid  64 and name hg2+ ) ( resid 149 and name   ha )   5.5   3.6   0.0
assign ( resid  64 and name hg1+ ) ( resid 149 and name   ha )   5.5   3.6   0.0
assign ( resid  64 and name hg1+ ) ( resid 149 and name   hn )   2.8   0.9   0.0
assign ( resid  64 and name hg2+ ) ( resid 150 and name  hb+ )   2.8   0.9   0.0
assign ( resid  64 and name hg2+ ) ( resid 150 and name   hn )   5.5   3.6   0.0
assign ( resid  64 and name hg2+ ) ( resid 150 and name   ha )   2.8   0.9   0.0
assign ( resid  64 and name hg1+ ) ( resid 150 and name   ha )   2.8   0.9   0.0
assign ( resid  64 and name hg1+ ) ( resid 150 and name   hn )   4.2   2.3   0.0
assign ( resid  64 and name hg1+ ) ( resid 153 and name   ha )   5.5   3.6   0.0
assign ( resid  64 and name hg1+ ) ( resid 153 and name hg2+ )   2.8   0.9   0.0
assign ( resid  64 and name   hn ) ( resid 153 and name hg2+ )   3.3   1.4   0.0
assign ( resid  65 and name  ha+ ) ( resid  65 and name   hn )   4.2   2.3   0.0
assign ( resid  65 and name  ha+ ) ( resid  66 and name   hn )   3.8   1.9   0.0
assign ( resid  65 and name   hn ) ( resid  71 and name hd1+ )   5.5   3.6   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name   hn )   3.3   1.4   0.0
assign ( resid  66 and name  hb+ ) ( resid  66 and name hd2+ )   3.3   1.4   0.0
assign ( resid  66 and name hd2+ ) ( resid  66 and name   hn )   5.5   3.6   0.0
assign ( resid  66 and name  hb+ ) ( resid  67 and name hd2+ )   3.8   1.9   0.0
assign ( resid  66 and name   hn ) ( resid  67 and name   hn )   2.8   0.9   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name hd2+ )   5.5   3.6   0.0
assign ( resid  67 and name   ha ) ( resid  68 and name  hd+ )   3.3   1.4   0.0
assign ( resid  67 and name  hb+ ) ( resid  68 and name  hd+ )   5.5   3.6   0.0
assign ( resid  67 and name  hb+ ) ( resid  69 and name  he1 )   5.5   3.6   0.0
assign ( resid  67 and name  hb+ ) ( resid  69 and name   hn )   5.5   3.6   0.0
assign ( resid  67 and name hd2+ ) ( resid  69 and name  hz2 )   5.5   3.6   0.0
assign ( resid  67 and name hd2+ ) ( resid  69 and name  he1 )   4.2   2.3   0.0
assign ( resid  67 and name  hb+ ) ( resid  70 and name   hn )   5.5   3.6   0.0
assign ( resid  67 and name   hn ) ( resid  70 and name   hn )   5.5   3.6   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name   hn )   5.5   3.6   0.0
assign ( resid  68 and name  hb+ ) ( resid  69 and name   hn )   5.5   3.6   0.0
assign ( resid  68 and name  hd+ ) ( resid  69 and name   hn )   5.5   3.6   0.0
assign ( resid  68 and name  hg+ ) ( resid  69 and name   hn )   5.5   3.6   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  hb+ )   3.3   1.4   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name   hn )   3.8   1.9   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name   hn )   4.2   2.3   0.0
assign ( resid  69 and name   ha ) ( resid  70 and name   hn )   5.5   3.6   0.0
assign ( resid  69 and name   hn ) ( resid  70 and name   hn )   3.3   1.4   0.0
assign ( resid  69 and name   ha ) ( resid 146 and name  hd2 )   5.5   3.6   0.0
assign ( resid  69 and name   ha ) ( resid 147 and name   hn )   5.5   3.6   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name   hn )   2.8   0.9   0.0
assign ( resid  70 and name   hn ) ( resid  71 and name   hn )   2.8   0.9   0.0
assign ( resid  71 and name hd1+ ) ( resid  71 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name hg1+ ) ( resid  71 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name hg2+ ) ( resid  71 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name hd1+ ) ( resid  72 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name hg1+ ) ( resid  72 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name hg2+ ) ( resid  72 and name   hn )   3.3   1.4   0.0
assign ( resid  71 and name hg2+ ) ( resid  72 and name   ha )   5.5   3.6   0.0
assign ( resid  71 and name   hn ) ( resid  72 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name   hb ) ( resid 147 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name hg2+ ) ( resid 147 and name  hd+ )   5.5   3.6   0.0
assign ( resid  71 and name hg2+ ) ( resid 147 and name   hn )   5.5   3.6   0.0
assign ( resid  71 and name   hb ) ( resid 148 and name  ha+ )   5.5   3.6   0.0
assign ( resid  71 and name   hb ) ( resid 148 and name   hn )   3.8   1.9   0.0
assign ( resid  71 and name hd1+ ) ( resid 148 and name  ha+ )   3.8   1.9   0.0
assign ( resid  71 and name   hn ) ( resid 148 and name   hn )   4.2   2.3   0.0
assign ( resid  71 and name   hn ) ( resid 148 and name  ha+ )   5.5   3.6   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name  hb+ )   3.8   1.9   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name  hg+ )   3.8   1.9   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name   hn )   3.8   1.9   0.0
assign ( resid  72 and name  hb+ ) ( resid  72 and name   hn )   3.3   1.4   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name  hb+ )   5.5   3.6   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name   hn )   2.8   0.9   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name   ha )   5.5   3.6   0.0
assign ( resid  72 and name   ha ) ( resid 145 and name   hn )   5.5   3.6   0.0
assign ( resid  72 and name   ha ) ( resid 146 and name   ha )   5.5   3.6   0.0
assign ( resid  72 and name  hb+ ) ( resid 146 and name  hd2 )   5.5   3.6   0.0
assign ( resid  72 and name  hg+ ) ( resid 146 and name  hd2 )   5.5   3.6   0.0
assign ( resid  72 and name   ha ) ( resid 147 and name  hd+ )   3.3   1.4   0.0
assign ( resid  72 and name   ha ) ( resid 147 and name   hn )   4.2   2.3   0.0
assign ( resid  73 and name   ha ) ( resid  73 and name   hn )   4.2   2.3   0.0
assign ( resid  73 and name  hb+ ) ( resid  73 and name   hn )   3.3   1.4   0.0
assign ( resid  73 and name   ha ) ( resid  74 and name   hn )   2.8   0.9   0.0
assign ( resid  73 and name  hb+ ) ( resid  74 and name   hn )   3.8   1.9   0.0
assign ( resid  73 and name  hb+ ) ( resid 145 and name   hb )   3.8   1.9   0.0
assign ( resid  73 and name  hb+ ) ( resid 145 and name hg1+ )   5.5   3.6   0.0
assign ( resid  73 and name  hb+ ) ( resid 145 and name hg2+ )   3.8   1.9   0.0
assign ( resid  73 and name   hn ) ( resid 145 and name hg2+ )   5.5   3.6   0.0
assign ( resid  73 and name   hn ) ( resid 145 and name   hn )   3.8   1.9   0.0
assign ( resid  73 and name  hb+ ) ( resid 147 and name  he+ )   4.2   2.3   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name hg2+ )   3.8   1.9   0.0
assign ( resid  74 and name   hb ) ( resid  74 and name   hn )   2.8   0.9   0.0
assign ( resid  74 and name hg2+ ) ( resid  74 and name   hn )   3.8   1.9   0.0
assign ( resid  74 and name   ha ) ( resid  75 and name  hb+ )   5.5   3.6   0.0
assign ( resid  74 and name   ha ) ( resid  75 and name   hn )   2.8   0.9   0.0
assign ( resid  74 and name hg2+ ) ( resid  75 and name   hn )   3.3   1.4   0.0
assign ( resid  74 and name hg2+ ) ( resid  76 and name  hb+ )   4.2   2.3   0.0
assign ( resid  74 and name hg2+ ) ( resid 142 and name   ha )   3.8   1.9   0.0
assign ( resid  74 and name hg2+ ) ( resid 142 and name   he )   4.2   2.3   0.0
assign ( resid  74 and name   ha ) ( resid 143 and name  hb+ )   5.5   3.6   0.0
assign ( resid  74 and name   ha ) ( resid 143 and name   hn )   5.5   3.6   0.0
assign ( resid  74 and name hg2+ ) ( resid 143 and name   ha )   5.5   3.6   0.0
assign ( resid  74 and name   ha ) ( resid 144 and name   ha )   3.3   1.4   0.0
assign ( resid  74 and name hg2+ ) ( resid 144 and name   ha )   4.2   2.3   0.0
assign ( resid  74 and name   ha ) ( resid 145 and name   hn )   4.2   2.3   0.0
assign ( resid  74 and name hg2+ ) ( resid 145 and name   hn )   5.5   3.6   0.0
assign ( resid  74 and name   hn ) ( resid 145 and name hd1+ )   5.5   3.6   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name   hn )   3.8   1.9   0.0
assign ( resid  75 and name  hb+ ) ( resid  75 and name   hn )   2.8   0.9   0.0
assign ( resid  75 and name   ha ) ( resid  76 and name   hn )   2.8   0.9   0.0
assign ( resid  75 and name  hb+ ) ( resid  76 and name   hn )   2.8   0.9   0.0
assign ( resid  75 and name   hn ) ( resid  76 and name   hn )   5.5   3.6   0.0
assign ( resid  75 and name  hb+ ) ( resid 142 and name   ha )   5.5   3.6   0.0
assign ( resid  75 and name  hb+ ) ( resid 143 and name  hb+ )   2.8   0.9   0.0
assign ( resid  75 and name  hb+ ) ( resid 143 and name   hn )   3.8   1.9   0.0
assign ( resid  75 and name   hn ) ( resid 143 and name   hn )   3.3   1.4   0.0
assign ( resid  75 and name   hn ) ( resid 143 and name  hb+ )   3.3   1.4   0.0
assign ( resid  75 and name   hn ) ( resid 144 and name   ha )   4.2   2.3   0.0
assign ( resid  75 and name   hn ) ( resid 145 and name   hn )   4.2   2.3   0.0
assign ( resid  75 and name  hb+ ) ( resid 162 and name hd2+ )   2.8   0.9   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name  hd+ )   3.8   1.9   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name   hn )   3.3   1.4   0.0
assign ( resid  76 and name  hb+ ) ( resid  76 and name   hn )   3.8   1.9   0.0
assign ( resid  76 and name   ha ) ( resid  77 and name   ha )   3.3   1.4   0.0
assign ( resid  76 and name  hd+ ) ( resid  77 and name   ha )   3.8   1.9   0.0
assign ( resid  76 and name   ha ) ( resid  78 and name   hn )   3.8   1.9   0.0
assign ( resid  76 and name   ha ) ( resid 142 and name   ha )   5.5   3.6   0.0
assign ( resid  76 and name  hb+ ) ( resid 142 and name   ha )   5.5   3.6   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hb+ )   3.8   1.9   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name  hd+ )   5.5   3.6   0.0
assign ( resid  77 and name  hd+ ) ( resid  77 and name  hg+ )   3.3   1.4   0.0
assign ( resid  77 and name   ha ) ( resid  78 and name hg2+ )   5.5   3.6   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name   hn )   3.8   1.9   0.0
assign ( resid  77 and name   ha ) ( resid 140 and name hg1+ )   3.3   1.4   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name hg2+ )   3.3   1.4   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name hg1+ )   3.3   1.4   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name   hn )   4.2   2.3   0.0
assign ( resid  78 and name   hb ) ( resid  78 and name   hn )   2.8   0.9   0.0
assign ( resid  78 and name hg2+ ) ( resid  78 and name   hn )   3.3   1.4   0.0
assign ( resid  78 and name hg1+ ) ( resid  78 and name   hn )   5.5   3.6   0.0
assign ( resid  78 and name   ha ) ( resid  79 and name  hb+ )   5.5   3.6   0.0
assign ( resid  78 and name   ha ) ( resid  79 and name   hn )   2.8   0.9   0.0
assign ( resid  78 and name hg2+ ) ( resid  79 and name   hn )   3.8   1.9   0.0
assign ( resid  78 and name hg1+ ) ( resid  79 and name   hn )   3.3   1.4   0.0
assign ( resid  78 and name   hn ) ( resid  79 and name   hn )   5.5   3.6   0.0
assign ( resid  78 and name hg2+ ) ( resid  80 and name hg1+ )   5.5   3.6   0.0
assign ( resid  78 and name hg1+ ) ( resid  80 and name hg1+ )   2.8   0.9   0.0
assign ( resid  78 and name   hn ) ( resid 140 and name hg1+ )   2.8   0.9   0.0
assign ( resid  78 and name   hb ) ( resid 141 and name hd1+ )   3.8   1.9   0.0
assign ( resid  78 and name   hb ) ( resid 141 and name   hn )   3.8   1.9   0.0
assign ( resid  78 and name hg2+ ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid  78 and name hg1+ ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid  78 and name hg1+ ) ( resid 141 and name hd1+ )   3.3   1.4   0.0
assign ( resid  78 and name   hn ) ( resid 141 and name   hn )   3.8   1.9   0.0
assign ( resid  78 and name hg2+ ) ( resid 142 and name   ha )   3.8   1.9   0.0
assign ( resid  78 and name   hn ) ( resid 142 and name   ha )   5.5   3.6   0.0
assign ( resid  78 and name hg2+ ) ( resid 143 and name   hn )   3.8   1.9   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name  hb+ )   3.8   1.9   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name   hn )   3.8   1.9   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name hd2+ )   3.8   1.9   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name   hn )   2.8   0.9   0.0
assign ( resid  79 and name   ha ) ( resid  80 and name hg2+ )   3.8   1.9   0.0
assign ( resid  79 and name   ha ) ( resid  80 and name hg1+ )   5.5   3.6   0.0
assign ( resid  79 and name   ha ) ( resid  80 and name   hn )   2.8   0.9   0.0
assign ( resid  79 and name   hn ) ( resid  80 and name hg1+ )   5.5   3.6   0.0
assign ( resid  79 and name   ha ) ( resid 140 and name   ha )   3.8   1.9   0.0
assign ( resid  79 and name   ha ) ( resid 140 and name hg1+ )   5.5   3.6   0.0
assign ( resid  79 and name   ha ) ( resid 140 and name hg2+ )   3.8   1.9   0.0
assign ( resid  79 and name   ha ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name   hb )   2.8   0.9   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name hg2+ )   3.3   1.4   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name hg1+ )   2.8   0.9   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name   hn )   3.3   1.4   0.0
assign ( resid  80 and name hg2+ ) ( resid  80 and name   hn )   2.8   0.9   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name   hn )   2.8   0.9   0.0
assign ( resid  80 and name hg2+ ) ( resid  81 and name   ha )   5.5   3.6   0.0
assign ( resid  80 and name hg2+ ) ( resid  81 and name   hn )   3.8   1.9   0.0
assign ( resid  80 and name hg1+ ) ( resid  81 and name   hn )   3.3   1.4   0.0
assign ( resid  80 and name hg2+ ) ( resid  86 and name  he+ )   5.5   3.6   0.0
assign ( resid  80 and name hg1+ ) ( resid  86 and name  hd+ )   5.5   3.6   0.0
assign ( resid  80 and name hg1+ ) ( resid  86 and name  he+ )   3.3   1.4   0.0
assign ( resid  80 and name hg2+ ) ( resid 134 and name hg1+ )   2.8   0.9   0.0
assign ( resid  80 and name hg1+ ) ( resid 134 and name hg1+ )   5.5   3.6   0.0
assign ( resid  80 and name hg2+ ) ( resid 139 and name   hb )   5.5   3.6   0.0
assign ( resid  80 and name hg2+ ) ( resid 139 and name hg2+ )   3.8   1.9   0.0
assign ( resid  80 and name   hn ) ( resid 140 and name   ha )   3.8   1.9   0.0
assign ( resid  80 and name   hn ) ( resid 140 and name hg1+ )   5.5   3.6   0.0
assign ( resid  80 and name hg2+ ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid  80 and name hg2+ ) ( resid 141 and name hg2+ )   2.8   0.9   0.0
assign ( resid  80 and name hg1+ ) ( resid 141 and name hg1+ )   3.8   1.9   0.0
assign ( resid  80 and name hg1+ ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid  80 and name hg1+ ) ( resid 141 and name hd1+ )   2.8   0.9   0.0
assign ( resid  80 and name hg1+ ) ( resid 141 and name hg2+ )   4.2   2.3   0.0
assign ( resid  80 and name hg1+ ) ( resid 164 and name hg2+ )   3.8   1.9   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name   hn )   4.2   2.3   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name   hn )   3.3   1.4   0.0
assign ( resid  81 and name   ha ) ( resid  82 and name  hd+ )   2.8   0.9   0.0
assign ( resid  81 and name   ha ) ( resid 139 and name hg2+ )   3.3   1.4   0.0
assign ( resid  82 and name   ha ) ( resid  82 and name  hb+ )   3.3   1.4   0.0
assign ( resid  82 and name  hb+ ) ( resid  82 and name  hd+ )   5.5   3.6   0.0
assign ( resid  82 and name   ha ) ( resid  83 and name   hn )   2.8   0.9   0.0
assign ( resid  82 and name  hb+ ) ( resid  83 and name   hn )   4.2   2.3   0.0
assign ( resid  82 and name   ha ) ( resid  84 and name   hn )   5.5   3.6   0.0
assign ( resid  82 and name   ha ) ( resid 134 and name   hb )   3.8   1.9   0.0
assign ( resid  82 and name   ha ) ( resid 134 and name hg2+ )   5.5   3.6   0.0
assign ( resid  82 and name   ha ) ( resid 134 and name hg1+ )   2.8   0.9   0.0
assign ( resid  82 and name   ha ) ( resid 134 and name   hn )   5.5   3.6   0.0
assign ( resid  82 and name  hb+ ) ( resid 134 and name hg1+ )   4.2   2.3   0.0
assign ( resid  82 and name  hd+ ) ( resid 139 and name hg2+ )   3.3   1.4   0.0
assign ( resid  83 and name  ha+ ) ( resid  83 and name   hn )   2.8   0.9   0.0
assign ( resid  83 and name  ha+ ) ( resid  84 and name   hn )   4.2   2.3   0.0
assign ( resid  83 and name   hn ) ( resid  84 and name   hn )   2.8   0.9   0.0
assign ( resid  83 and name   hn ) ( resid 134 and name   hb )   2.8   0.9   0.0
assign ( resid  83 and name   hn ) ( resid 134 and name   hn )   5.5   3.6   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name   hb )   3.3   1.4   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name hg1+ )   2.8   0.9   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name hg2+ )   2.8   0.9   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name   hn )   3.3   1.4   0.0
assign ( resid  84 and name   hb ) ( resid  84 and name   hn )   2.8   0.9   0.0
assign ( resid  84 and name hg1+ ) ( resid  84 and name   hn )   3.3   1.4   0.0
assign ( resid  84 and name hg2+ ) ( resid  84 and name   hn )   2.8   0.9   0.0
assign ( resid  84 and name   ha ) ( resid  85 and name   hn )   2.8   0.9   0.0
assign ( resid  84 and name   hb ) ( resid  85 and name   hn )   3.8   1.9   0.0
assign ( resid  84 and name hg1+ ) ( resid  85 and name   hn )   2.8   0.9   0.0
assign ( resid  84 and name hg2+ ) ( resid  85 and name   hn )   3.3   1.4   0.0
assign ( resid  84 and name   hn ) ( resid  85 and name   hn )   5.5   3.6   0.0
assign ( resid  84 and name hg2+ ) ( resid  86 and name  he+ )   3.8   1.9   0.0
assign ( resid  84 and name   hn ) ( resid 133 and name hg2+ )   5.5   3.6   0.0
assign ( resid  84 and name hg1+ ) ( resid 166 and name   ha )   5.5   3.6   0.0
assign ( resid  84 and name hg1+ ) ( resid 166 and name  hb+ )   2.8   0.9   0.0
assign ( resid  84 and name hg2+ ) ( resid 166 and name  hb+ )   5.5   3.6   0.0
assign ( resid  85 and name   hb ) ( resid  85 and name   hn )   2.8   0.9   0.0
assign ( resid  85 and name hg2+ ) ( resid 131 and name   ha )   5.5   3.6   0.0
assign ( resid  85 and name hg2+ ) ( resid 167 and name he2+ )   5.5   3.6   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name  hd+ )   4.2   2.3   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name   hn )   3.8   1.9   0.0
assign ( resid  86 and name  hb+ ) ( resid  86 and name   hn )   3.8   1.9   0.0
assign ( resid  86 and name  hd+ ) ( resid  86 and name   hn )   2.8   0.9   0.0
assign ( resid  86 and name   ha ) ( resid  87 and name   hn )   2.8   0.9   0.0
assign ( resid  86 and name  hb+ ) ( resid  87 and name   hn )   3.3   1.4   0.0
assign ( resid  86 and name  hd+ ) ( resid  87 and name   hn )   3.8   1.9   0.0
assign ( resid  86 and name  hb+ ) ( resid 164 and name hg2+ )   3.3   1.4   0.0
assign ( resid  86 and name  hd+ ) ( resid 164 and name hg2+ )   2.8   0.9   0.0
assign ( resid  86 and name  hb+ ) ( resid 165 and name   hn )   5.5   3.6   0.0
assign ( resid  86 and name  hd+ ) ( resid 165 and name   ha )   5.5   3.6   0.0
assign ( resid  86 and name  he+ ) ( resid 165 and name  hb+ )   5.5   3.6   0.0
assign ( resid  86 and name  hd+ ) ( resid 166 and name   ha )   5.5   3.6   0.0
assign ( resid  86 and name  hd+ ) ( resid 166 and name   hn )   4.2   2.3   0.0
assign ( resid  86 and name  he+ ) ( resid 166 and name   hn )   5.5   3.6   0.0
assign ( resid  87 and name   hb ) ( resid  87 and name   hn )   2.8   0.9   0.0
assign ( resid  87 and name   ha ) ( resid 131 and name   ha )   3.3   1.4   0.0
assign ( resid  87 and name hg2+ ) ( resid 131 and name   ha )   5.5   3.6   0.0
assign ( resid  87 and name   hn ) ( resid 164 and name hg2+ )   5.5   3.6   0.0
assign ( resid  87 and name   hb ) ( resid 165 and name  hb+ )   4.2   2.3   0.0
assign ( resid  87 and name   hb ) ( resid 165 and name   hn )   5.5   3.6   0.0
assign ( resid  87 and name   hn ) ( resid 165 and name  hb+ )   5.5   3.6   0.0
assign ( resid  87 and name   hn ) ( resid 166 and name   ha )   3.8   1.9   0.0
assign ( resid  87 and name   hn ) ( resid 167 and name   hn )   5.5   3.6   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name   hn )   3.8   1.9   0.0
assign ( resid  88 and name  hb+ ) ( resid  88 and name   hn )   3.3   1.4   0.0
assign ( resid  88 and name   ha ) ( resid  89 and name   hn )   2.8   0.9   0.0
assign ( resid  88 and name  hd+ ) ( resid 105 and name hg1+ )   5.5   3.6   0.0
assign ( resid  88 and name  he+ ) ( resid 105 and name hg1+ )   5.5   3.6   0.0
assign ( resid  88 and name  hb+ ) ( resid 130 and name   hn )   3.8   1.9   0.0
assign ( resid  88 and name  hd+ ) ( resid 130 and name   hn )   3.3   1.4   0.0
assign ( resid  88 and name   hn ) ( resid 131 and name   ha )   3.8   1.9   0.0
assign ( resid  88 and name   hn ) ( resid 131 and name  hg+ )   4.2   2.3   0.0
assign ( resid  88 and name   ha ) ( resid 164 and name   ha )   3.8   1.9   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name hg2+ )   2.8   0.9   0.0
assign ( resid  89 and name hg2+ ) ( resid  89 and name   hn )   3.8   1.9   0.0
assign ( resid  89 and name   ha ) ( resid  90 and name   hn )   2.8   0.9   0.0
assign ( resid  89 and name   ha ) ( resid  90 and name hg2+ )   5.5   3.6   0.0
assign ( resid  89 and name   hb ) ( resid  90 and name   hn )   5.5   3.6   0.0
assign ( resid  89 and name hg2+ ) ( resid  90 and name   hn )   2.8   0.9   0.0
assign ( resid  89 and name hg2+ ) ( resid  91 and name  he1 )   2.8   0.9   0.0
assign ( resid  89 and name   ha ) ( resid 128 and name   hn )   5.5   3.6   0.0
assign ( resid  89 and name hg2+ ) ( resid 128 and name   hn )   3.8   1.9   0.0
assign ( resid  89 and name   ha ) ( resid 129 and name   ha )   3.8   1.9   0.0
assign ( resid  89 and name hg2+ ) ( resid 129 and name   ha )   5.5   3.6   0.0
assign ( resid  89 and name   ha ) ( resid 130 and name   hn )   3.8   1.9   0.0
assign ( resid  89 and name   hn ) ( resid 162 and name hd1+ )   3.8   1.9   0.0
assign ( resid  89 and name   hb ) ( resid 163 and name  hb+ )   3.3   1.4   0.0
assign ( resid  89 and name   hb ) ( resid 163 and name   hn )   5.5   3.6   0.0
assign ( resid  89 and name hg2+ ) ( resid 163 and name   hn )   5.5   3.6   0.0
assign ( resid  89 and name   hn ) ( resid 163 and name   hn )   3.3   1.4   0.0
assign ( resid  89 and name   hn ) ( resid 164 and name   ha )   5.5   3.6   0.0
assign ( resid  90 and name   hb ) ( resid  90 and name   hn )   3.8   1.9   0.0
assign ( resid  90 and name hd1+ ) ( resid  90 and name hg2+ )   2.8   0.9   0.0
assign ( resid  90 and name hd1+ ) ( resid  90 and name   hn )   5.5   3.6   0.0
assign ( resid  90 and name hg2+ ) ( resid  90 and name   hn )   2.8   0.9   0.0
!assign ( resid  90 and name   hb ) ( resid  91 and name   hn )   2.8   0.9   0.0
assign ( resid  90 and name hd1+ ) ( resid  91 and name   hn )   3.8   1.9   0.0
assign ( resid  90 and name hg1+ ) ( resid  91 and name   hn )   2.8   0.9   0.0
assign ( resid  90 and name hg2+ ) ( resid  91 and name   hn )   3.8   1.9   0.0
assign ( resid  90 and name hg2+ ) ( resid  92 and name  hb+ )   3.8   1.9   0.0
assign ( resid  90 and name hg2+ ) ( resid 103 and name  hd+ )   5.5   3.6   0.0
assign ( resid  90 and name hg2+ ) ( resid 103 and name  he+ )   3.3   1.4   0.0
assign ( resid  90 and name hg2+ ) ( resid 128 and name  hb2 )   3.3   1.4   0.0
assign ( resid  90 and name hg2+ ) ( resid 128 and name   hn )   3.8   1.9   0.0
assign ( resid  90 and name   hn ) ( resid 128 and name   hn )   2.8   0.9   0.0
assign ( resid  90 and name   hn ) ( resid 129 and name   ha )   4.2   2.3   0.0
assign ( resid  90 and name hg2+ ) ( resid 159 and name hg2+ )   4.2   2.3   0.0
assign ( resid  90 and name hd1+ ) ( resid 160 and name   hn )   5.5   3.6   0.0
assign ( resid  90 and name   hb ) ( resid 162 and name hd1+ )   3.8   1.9   0.0
assign ( resid  90 and name hd1+ ) ( resid 162 and name hd1+ )   2.8   0.9   0.0
assign ( resid  90 and name hg2+ ) ( resid 162 and name hd1+ )   5.5   3.6   0.0
assign ( resid  90 and name   hb ) ( resid 163 and name   hn )   3.8   1.9   0.0
assign ( resid  90 and name hd1+ ) ( resid 163 and name   hn )   5.5   3.6   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name  hb2 )   5.5   3.6   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name  hb1 )   4.2   2.3   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name   hn )   5.5   3.6   0.0
assign ( resid  91 and name  hb2 ) ( resid  91 and name   hn )   3.3   1.4   0.0
assign ( resid  91 and name  hb1 ) ( resid  91 and name   hn )   5.5   3.6   0.0
assign ( resid  91 and name  hd1 ) ( resid  91 and name   hn )   3.3   1.4   0.0
assign ( resid  91 and name   ha ) ( resid  92 and name  hb+ )   5.5   3.6   0.0
assign ( resid  91 and name   ha ) ( resid  92 and name   hn )   2.8   0.9   0.0
assign ( resid  91 and name  hb2 ) ( resid  92 and name   hn )   4.2   2.3   0.0
assign ( resid  91 and name  hb1 ) ( resid  92 and name   hn )   3.8   1.9   0.0
assign ( resid  91 and name   hn ) ( resid  92 and name   hn )   5.5   3.6   0.0
assign ( resid  91 and name   ha ) ( resid 126 and name   hn )   5.5   3.6   0.0
assign ( resid  91 and name   ha ) ( resid 128 and name   hn )   3.8   1.9   0.0
assign ( resid  91 and name   hn ) ( resid 160 and name   hn )   3.3   1.4   0.0
assign ( resid  91 and name  hd1 ) ( resid 161 and name  ha+ )   5.5   3.6   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name   hn )   3.3   1.4   0.0
assign ( resid  92 and name  hb+ ) ( resid  92 and name   hn )   2.8   0.9   0.0
assign ( resid  92 and name   ha ) ( resid  93 and name   hn )   2.8   0.9   0.0
assign ( resid  92 and name  hb+ ) ( resid  93 and name   hn )   2.8   0.9   0.0
assign ( resid  92 and name   hn ) ( resid  93 and name   hn )   5.5   3.6   0.0
assign ( resid  92 and name  hb+ ) ( resid 101 and name hg1+ )   5.5   3.6   0.0
assign ( resid  92 and name   ha ) ( resid 125 and name  hz3 )   5.5   3.6   0.0
assign ( resid  92 and name   hn ) ( resid 126 and name   hn )   3.3   1.4   0.0
assign ( resid  92 and name  hb+ ) ( resid 128 and name  he+ )   5.5   3.6   0.0
assign ( resid  92 and name  hb+ ) ( resid 158 and name   hn )   5.5   3.6   0.0
assign ( resid  92 and name   ha ) ( resid 159 and name   ha )   3.8   1.9   0.0
assign ( resid  92 and name   ha ) ( resid 159 and name hg2+ )   5.5   3.6   0.0
assign ( resid  92 and name  hb+ ) ( resid 159 and name hg2+ )   2.8   0.9   0.0
assign ( resid  92 and name   ha ) ( resid 160 and name   hn )   3.8   1.9   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name  hb+ )   3.3   1.4   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name  hg+ )   5.5   3.6   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name   hn )   3.8   1.9   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name   he )   5.5   3.6   0.0
assign ( resid  93 and name  hd+ ) ( resid  93 and name   he )   3.3   1.4   0.0
assign ( resid  93 and name   he ) ( resid  93 and name  hg+ )   5.5   3.6   0.0
assign ( resid  93 and name  hg+ ) ( resid  93 and name   hn )   5.5   3.6   0.0
assign ( resid  93 and name   ha ) ( resid  94 and name   hn )   2.8   0.9   0.0
assign ( resid  93 and name  hb+ ) ( resid  94 and name   hn )   3.8   1.9   0.0
assign ( resid  93 and name  hg+ ) ( resid  94 and name   hn )   4.2   2.3   0.0
assign ( resid  93 and name   hn ) ( resid  94 and name   hn )   5.5   3.6   0.0
assign ( resid  93 and name   hn ) ( resid 121 and name hg2+ )   3.8   1.9   0.0
assign ( resid  93 and name  hb+ ) ( resid 125 and name   hn )   5.5   3.6   0.0
assign ( resid  93 and name  hd+ ) ( resid 125 and name   hn )   4.2   2.3   0.0
assign ( resid  93 and name  hd+ ) ( resid 125 and name  he1 )   3.8   1.9   0.0
assign ( resid  93 and name   he ) ( resid 125 and name  he1 )   3.8   1.9   0.0
assign ( resid  93 and name   he ) ( resid 125 and name  hz2 )   5.5   3.6   0.0
assign ( resid  93 and name  hg+ ) ( resid 125 and name  he1 )   5.5   3.6   0.0
assign ( resid  93 and name   hn ) ( resid 125 and name  hz3 )   5.5   3.6   0.0
assign ( resid  93 and name  hb+ ) ( resid 126 and name   hn )   5.5   3.6   0.0
assign ( resid  93 and name   hn ) ( resid 157 and name   ha )   5.5   3.6   0.0
assign ( resid  93 and name  hg+ ) ( resid 158 and name  hd+ )   5.5   3.6   0.0
assign ( resid  93 and name   hn ) ( resid 158 and name  hb2 )   3.8   1.9   0.0
assign ( resid  93 and name   hn ) ( resid 158 and name  hb1 )   5.5   3.6   0.0
assign ( resid  93 and name   hn ) ( resid 158 and name   hn )   3.3   1.4   0.0
assign ( resid  93 and name   hn ) ( resid 159 and name hg2+ )   4.2   2.3   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name   hn )   3.3   1.4   0.0
assign ( resid  94 and name  hb+ ) ( resid  94 and name   hn )   2.8   0.9   0.0
assign ( resid  94 and name   ha ) ( resid  95 and name   hn )   2.8   0.9   0.0
assign ( resid  94 and name   ha ) ( resid  95 and name   ha )   5.5   3.6   0.0
assign ( resid  94 and name  hb+ ) ( resid  95 and name   hn )   2.8   0.9   0.0
assign ( resid  94 and name   ha ) ( resid  96 and name   hn )   5.5   3.6   0.0
assign ( resid  94 and name  hb+ ) ( resid  96 and name   hn )   3.3   1.4   0.0
assign ( resid  94 and name   hn ) ( resid 123 and name   ha )   2.8   0.9   0.0
assign ( resid  94 and name  hb+ ) ( resid 155 and name hd2+ )   4.2   2.3   0.0
assign ( resid  94 and name   ha ) ( resid 158 and name  hd+ )   5.5   3.6   0.0
assign ( resid  94 and name   ha ) ( resid 158 and name  he+ )   5.5   3.6   0.0
assign ( resid  94 and name   ha ) ( resid 158 and name   hn )   3.3   1.4   0.0
assign ( resid  94 and name  hb+ ) ( resid 158 and name   hn )   3.3   1.4   0.0
assign ( resid  95 and name   ha ) ( resid  95 and name   hn )   3.3   1.4   0.0
assign ( resid  95 and name  hb+ ) ( resid  95 and name   hn )   3.3   1.4   0.0
assign ( resid  95 and name  hg+ ) ( resid  95 and name   hn )   4.2   2.3   0.0
assign ( resid  95 and name   ha ) ( resid  96 and name   hn )   4.2   2.3   0.0
assign ( resid  95 and name  hb+ ) ( resid  96 and name   hn )   4.2   2.3   0.0
assign ( resid  95 and name   hn ) ( resid  96 and name   hn )   2.8   0.9   0.0
assign ( resid  95 and name   ha ) ( resid 156 and name   hn )   5.5   3.6   0.0
assign ( resid  95 and name  hb+ ) ( resid 156 and name   hn )   2.8   0.9   0.0
assign ( resid  95 and name   hn ) ( resid 156 and name   hb )   3.8   1.9   0.0
assign ( resid  95 and name   hn ) ( resid 156 and name hg2+ )   5.5   3.6   0.0
assign ( resid  95 and name   hn ) ( resid 157 and name   ha )   3.8   1.9   0.0
assign ( resid  95 and name   ha ) ( resid 158 and name  he+ )   4.2   2.3   0.0
assign ( resid  95 and name  hb+ ) ( resid 158 and name  he+ )   3.8   1.9   0.0
assign ( resid  95 and name  hg+ ) ( resid 158 and name  he+ )   3.8   1.9   0.0
assign ( resid  95 and name   hn ) ( resid 158 and name   hn )   5.5   3.6   0.0
assign ( resid  95 and name   hn ) ( resid 158 and name  he+ )   4.2   2.3   0.0
assign ( resid  96 and name  hb+ ) ( resid  96 and name   hn )   2.8   0.9   0.0
assign ( resid  96 and name he2+ ) ( resid  96 and name  hg+ )   4.2   2.3   0.0
assign ( resid  96 and name  hb+ ) ( resid  97 and name   hn )   3.3   1.4   0.0
assign ( resid  96 and name   hn ) ( resid 123 and name hg2+ )   4.2   2.3   0.0
assign ( resid  96 and name  hb+ ) ( resid 155 and name hd2+ )   5.5   3.6   0.0
assign ( resid  96 and name he2+ ) ( resid 155 and name   ha )   5.5   3.6   0.0
assign ( resid  96 and name   hn ) ( resid 155 and name hd2+ )   3.8   1.9   0.0
assign ( resid  97 and name   ha ) ( resid  97 and name  hb+ )   3.3   1.4   0.0
assign ( resid  97 and name   ha ) ( resid  97 and name   hn )   2.8   0.9   0.0
assign ( resid  97 and name  hb+ ) ( resid  97 and name   hn )   2.8   0.9   0.0
assign ( resid  97 and name   ha ) ( resid  98 and name  ha+ )   5.5   3.6   0.0
assign ( resid  97 and name   ha ) ( resid  98 and name   hn )   2.8   0.9   0.0
assign ( resid  97 and name   ha ) ( resid  99 and name   hn )   3.8   1.9   0.0
assign ( resid  97 and name  hb+ ) ( resid  99 and name  hb+ )   5.5   3.6   0.0
assign ( resid  97 and name   ha ) ( resid 122 and name   ha )   2.8   0.9   0.0
assign ( resid  97 and name  hb+ ) ( resid 122 and name   ha )   5.5   3.6   0.0
assign ( resid  97 and name   hn ) ( resid 122 and name   ha )   5.5   3.6   0.0
assign ( resid  97 and name   ha ) ( resid 123 and name hg2+ )   3.8   1.9   0.0
assign ( resid  97 and name   ha ) ( resid 123 and name   hn )   5.5   3.6   0.0
assign ( resid  97 and name   ha ) ( resid 123 and name   ha )   5.5   3.6   0.0
assign ( resid  97 and name   hn ) ( resid 123 and name hg2+ )   2.8   0.9   0.0
assign ( resid  98 and name  ha+ ) ( resid  98 and name   hn )   2.8   0.9   0.0
assign ( resid  98 and name  ha+ ) ( resid  99 and name   hn )   4.2   2.3   0.0
assign ( resid  98 and name   hn ) ( resid  99 and name   hn )   2.8   0.9   0.0
assign ( resid  98 and name   hn ) ( resid 122 and name   ha )   3.8   1.9   0.0
assign ( resid  98 and name   hn ) ( resid 122 and name hg2+ )   5.5   3.6   0.0
assign ( resid  98 and name   hn ) ( resid 123 and name   hn )   5.5   3.6   0.0
assign ( resid  99 and name  hb+ ) ( resid  99 and name   hn )   2.8   0.9   0.0
assign ( resid  99 and name  hb+ ) ( resid 100 and name   hn )   2.8   0.9   0.0
assign ( resid  99 and name   hn ) ( resid 100 and name hg2+ )   4.2   2.3   0.0
assign ( resid  99 and name  hb+ ) ( resid 121 and name   hb )   2.8   0.9   0.0
assign ( resid  99 and name   hn ) ( resid 121 and name   hb )   3.3   1.4   0.0
assign ( resid  99 and name   hn ) ( resid 121 and name   hn )   4.2   2.3   0.0
assign ( resid  99 and name   hn ) ( resid 121 and name hd1+ )   5.5   3.6   0.0
assign ( resid  99 and name   hn ) ( resid 122 and name   ha )   5.5   3.6   0.0
assign ( resid  99 and name  hb+ ) ( resid 155 and name hd2+ )   3.3   1.4   0.0
assign ( resid  99 and name   hn ) ( resid 155 and name hd2+ )   4.2   2.3   0.0
assign ( resid 100 and name hg1+ ) ( resid 100 and name   hn )   3.8   1.9   0.0
assign ( resid 100 and name hg2+ ) ( resid 100 and name   hn )   2.8   0.9   0.0
assign ( resid 100 and name   ha ) ( resid 101 and name   hn )   2.8   0.9   0.0
assign ( resid 100 and name hg1+ ) ( resid 101 and name   hn )   2.8   0.9   0.0
assign ( resid 100 and name hg1+ ) ( resid 101 and name   ha )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 101 and name hg2+ )   3.8   1.9   0.0
assign ( resid 100 and name   hn ) ( resid 101 and name   hn )   5.5   3.6   0.0
assign ( resid 100 and name   hn ) ( resid 101 and name hg2+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 118 and name   ha )   3.3   1.4   0.0
assign ( resid 100 and name hg1+ ) ( resid 118 and name  hg+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 118 and name   hn )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 118 and name  hb+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 119 and name   hn )   3.3   1.4   0.0
assign ( resid 100 and name hg2+ ) ( resid 120 and name he2+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 121 and name   hn )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 121 and name hd1+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 147 and name   ha )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 149 and name  hb+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 149 and name  hd+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 149 and name  he+ )   4.2   2.3   0.0
assign ( resid 100 and name hg2+ ) ( resid 149 and name  hb+ )   5.5   3.6   0.0
assign ( resid 100 and name hg1+ ) ( resid 151 and name  hb+ )   3.3   1.4   0.0
assign ( resid 100 and name hg2+ ) ( resid 151 and name  hb+ )   2.8   0.9   0.0
assign ( resid 100 and name hg2+ ) ( resid 151 and name   ha )   5.5   3.6   0.0
assign ( resid 100 and name   hn ) ( resid 151 and name  hb+ )   3.8   1.9   0.0
assign ( resid 100 and name   hb ) ( resid 152 and name hd2+ )   5.5   3.6   0.0
assign ( resid 100 and name   hn ) ( resid 152 and name hd2+ )   4.2   2.3   0.0
assign ( resid 100 and name   hn ) ( resid 157 and name hd1+ )   5.5   3.6   0.0
assign ( resid 101 and name   ha ) ( resid 101 and name hg1+ )   3.3   1.4   0.0
assign ( resid 101 and name   ha ) ( resid 101 and name hg2+ )   3.3   1.4   0.0
assign ( resid 101 and name   ha ) ( resid 101 and name   hn )   3.3   1.4   0.0
assign ( resid 101 and name   hb ) ( resid 101 and name   hn )   3.3   1.4   0.0
assign ( resid 101 and name hg1+ ) ( resid 101 and name   hn )   5.5   3.6   0.0
assign ( resid 101 and name hg2+ ) ( resid 101 and name   hn )   3.3   1.4   0.0
assign ( resid 101 and name   ha ) ( resid 102 and name   hn )   2.8   0.9   0.0
assign ( resid 101 and name   hb ) ( resid 102 and name   hn )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 102 and name   ha )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 102 and name   hn )   2.8   0.9   0.0
assign ( resid 101 and name hg2+ ) ( resid 102 and name   hn )   3.8   1.9   0.0
assign ( resid 101 and name   hn ) ( resid 102 and name   hn )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 103 and name   hn )   5.5   3.6   0.0
assign ( resid 101 and name   hn ) ( resid 118 and name   ha )   5.5   3.6   0.0
assign ( resid 101 and name   hn ) ( resid 119 and name   hn )   3.3   1.4   0.0
assign ( resid 101 and name hg1+ ) ( resid 121 and name hd1+ )   5.5   3.6   0.0
assign ( resid 101 and name   hn ) ( resid 121 and name hg1+ )   4.2   2.3   0.0
assign ( resid 101 and name   hn ) ( resid 121 and name   hn )   5.5   3.6   0.0
assign ( resid 101 and name   hn ) ( resid 121 and name hd1+ )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 145 and name hd1+ )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 145 and name hg2+ )   2.8   0.9   0.0
assign ( resid 101 and name hg2+ ) ( resid 145 and name hg2+ )   4.2   2.3   0.0
assign ( resid 101 and name hg1+ ) ( resid 146 and name   hn )   4.2   2.3   0.0
assign ( resid 101 and name   ha ) ( resid 147 and name   ha )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 147 and name   ha )   5.5   3.6   0.0
assign ( resid 101 and name hg2+ ) ( resid 147 and name   ha )   4.2   2.3   0.0
assign ( resid 101 and name   ha ) ( resid 149 and name  hd+ )   4.2   2.3   0.0
assign ( resid 101 and name   ha ) ( resid 149 and name  he+ )   4.2   2.3   0.0
assign ( resid 101 and name hg1+ ) ( resid 152 and name hd2+ )   5.5   3.6   0.0
assign ( resid 101 and name hg2+ ) ( resid 152 and name hd2+ )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 157 and name hd1+ )   4.2   2.3   0.0
assign ( resid 101 and name hg1+ ) ( resid 157 and name hg2+ )   4.2   2.3   0.0
assign ( resid 101 and name hg1+ ) ( resid 159 and name hg2+ )   5.5   3.6   0.0
assign ( resid 101 and name hg1+ ) ( resid 159 and name hd1+ )   5.5   3.6   0.0
assign ( resid 102 and name   ha ) ( resid 102 and name  hb+ )   5.5   3.6   0.0
assign ( resid 102 and name   ha ) ( resid 102 and name   hn )   4.2   2.3   0.0
assign ( resid 102 and name  hb+ ) ( resid 102 and name   hn )   3.8   1.9   0.0
assign ( resid 102 and name   ha ) ( resid 103 and name  hd+ )   5.5   3.6   0.0
assign ( resid 102 and name   ha ) ( resid 103 and name   hn )   2.8   0.9   0.0
assign ( resid 102 and name  hb+ ) ( resid 103 and name   hn )   5.5   3.6   0.0
assign ( resid 102 and name   hn ) ( resid 103 and name   hn )   5.5   3.6   0.0
assign ( resid 102 and name   ha ) ( resid 104 and name hg2+ )   5.5   3.6   0.0
assign ( resid 102 and name  hb+ ) ( resid 104 and name hg2+ )   5.5   3.6   0.0
assign ( resid 102 and name   ha ) ( resid 117 and name   ha )   5.5   3.6   0.0
assign ( resid 102 and name   ha ) ( resid 118 and name   hn )   5.5   3.6   0.0
assign ( resid 102 and name   ha ) ( resid 119 and name   hn )   5.5   3.6   0.0
assign ( resid 102 and name   hn ) ( resid 145 and name hg2+ )   5.5   3.6   0.0
assign ( resid 102 and name  hb+ ) ( resid 146 and name   hn )   5.5   3.6   0.0
assign ( resid 102 and name   hn ) ( resid 146 and name   hn )   3.8   1.9   0.0
assign ( resid 103 and name  hb2 ) ( resid 103 and name   hn )   3.3   1.4   0.0
assign ( resid 103 and name  hb1 ) ( resid 103 and name   hn )   4.2   2.3   0.0
assign ( resid 103 and name  hb1 ) ( resid 104 and name   hn )   5.5   3.6   0.0
assign ( resid 103 and name   hn ) ( resid 104 and name hg2+ )   4.2   2.3   0.0
assign ( resid 103 and name  hb2 ) ( resid 116 and name hd2+ )   5.5   3.6   0.0
assign ( resid 103 and name  hb2 ) ( resid 116 and name hd1+ )   4.2   2.3   0.0
assign ( resid 103 and name  hb2 ) ( resid 116 and name   hn )   4.2   2.3   0.0
assign ( resid 103 and name   hn ) ( resid 116 and name  hb+ )   4.2   2.3   0.0
assign ( resid 103 and name   hn ) ( resid 116 and name hd1+ )   3.8   1.9   0.0
assign ( resid 103 and name  he+ ) ( resid 121 and name hd1+ )   3.3   1.4   0.0
assign ( resid 103 and name   hz ) ( resid 121 and name hd1+ )   3.3   1.4   0.0
assign ( resid 103 and name  hd+ ) ( resid 145 and name hg2+ )   5.5   3.6   0.0
assign ( resid 103 and name  he+ ) ( resid 145 and name hg2+ )   3.8   1.9   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name   hb )   3.3   1.4   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name hg2+ )   3.3   1.4   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name   hn )   3.8   1.9   0.0
assign ( resid 104 and name hg2+ ) ( resid 104 and name   hn )   2.8   0.9   0.0
assign ( resid 104 and name   ha ) ( resid 105 and name hg2+ )   5.5   3.6   0.0
assign ( resid 104 and name   ha ) ( resid 105 and name   hn )   2.8   0.9   0.0
assign ( resid 104 and name   hb ) ( resid 105 and name   hn )   2.8   0.9   0.0
assign ( resid 104 and name hg2+ ) ( resid 105 and name   hn )   3.3   1.4   0.0
assign ( resid 104 and name   ha ) ( resid 115 and name   ha )   3.3   1.4   0.0
assign ( resid 104 and name   ha ) ( resid 115 and name  hb+ )   5.5   3.6   0.0
assign ( resid 104 and name hg2+ ) ( resid 115 and name  hd+ )   5.5   3.6   0.0
assign ( resid 104 and name hg2+ ) ( resid 115 and name   he )   4.2   2.3   0.0
assign ( resid 104 and name   ha ) ( resid 116 and name   hn )   5.5   3.6   0.0
assign ( resid 104 and name hg2+ ) ( resid 116 and name   hn )   4.2   2.3   0.0
assign ( resid 104 and name   ha ) ( resid 130 and name  he+ )   5.5   3.6   0.0
assign ( resid 104 and name   ha ) ( resid 130 and name   hz )   5.5   3.6   0.0
assign ( resid 105 and name   hb ) ( resid 105 and name   hn )   3.3   1.4   0.0
assign ( resid 105 and name hg2+ ) ( resid 105 and name   hn )   2.8   0.9   0.0
assign ( resid 105 and name hg1+ ) ( resid 105 and name   hn )   3.3   1.4   0.0
assign ( resid 105 and name hg2+ ) ( resid 113 and name  hd+ )   3.3   1.4   0.0
assign ( resid 105 and name hg2+ ) ( resid 113 and name   hn )   5.5   3.6   0.0
assign ( resid 105 and name hg1+ ) ( resid 113 and name  hd+ )   3.3   1.4   0.0
assign ( resid 105 and name hg1+ ) ( resid 113 and name  hb2 )   5.5   3.6   0.0
assign ( resid 105 and name   hb ) ( resid 114 and name   hn )   5.5   3.6   0.0
assign ( resid 105 and name hg2+ ) ( resid 114 and name   hn )   3.3   1.4   0.0
assign ( resid 105 and name hg1+ ) ( resid 114 and name   hn )   3.8   1.9   0.0
assign ( resid 105 and name   hn ) ( resid 114 and name   hn )   3.8   1.9   0.0
assign ( resid 105 and name hg2+ ) ( resid 130 and name  he+ )   5.5   3.6   0.0
assign ( resid 105 and name hg2+ ) ( resid 130 and name   hz )   5.5   3.6   0.0
assign ( resid 105 and name hg1+ ) ( resid 130 and name  he+ )   5.5   3.6   0.0
assign ( resid 105 and name hg1+ ) ( resid 130 and name   hz )   3.8   1.9   0.0
assign ( resid 105 and name   hn ) ( resid 130 and name  he+ )   5.5   3.6   0.0
assign ( resid 105 and name   hb ) ( resid 143 and name   ha )   5.5   3.6   0.0
assign ( resid 105 and name hg2+ ) ( resid 143 and name   ha )   5.5   3.6   0.0
assign ( resid 105 and name hg1+ ) ( resid 143 and name   ha )   4.2   2.3   0.0
assign ( resid 105 and name hg1+ ) ( resid 143 and name   hn )   3.3   1.4   0.0
assign ( resid 105 and name hg1+ ) ( resid 144 and name  hd+ )   5.5   3.6   0.0
assign ( resid 106 and name  ha+ ) ( resid 106 and name   hn )   5.5   3.6   0.0
assign ( resid 106 and name  ha+ ) ( resid 107 and name   hn )   4.2   2.3   0.0
assign ( resid 106 and name  ha+ ) ( resid 113 and name   hn )   5.5   3.6   0.0
assign ( resid 106 and name   hn ) ( resid 141 and name hd1+ )   5.5   3.6   0.0
assign ( resid 106 and name   hn ) ( resid 143 and name   ha )   4.2   2.3   0.0
assign ( resid 107 and name   ha ) ( resid 107 and name  hb+ )   3.8   1.9   0.0
assign ( resid 107 and name   ha ) ( resid 107 and name   hn )   3.8   1.9   0.0
assign ( resid 107 and name  hb+ ) ( resid 107 and name   hn )   3.8   1.9   0.0
assign ( resid 107 and name  hb+ ) ( resid 107 and name hd2+ )   5.5   3.6   0.0
assign ( resid 107 and name   ha ) ( resid 108 and name   hn )   3.3   1.4   0.0
assign ( resid 107 and name  hb+ ) ( resid 108 and name   hn )   3.3   1.4   0.0
assign ( resid 107 and name hd2+ ) ( resid 108 and name   ha )   5.5   3.6   0.0
assign ( resid 107 and name   hn ) ( resid 108 and name   hn )   5.5   3.6   0.0
assign ( resid 107 and name   ha ) ( resid 109 and name   hn )   5.5   3.6   0.0
assign ( resid 107 and name   hn ) ( resid 110 and name   hn )   5.5   3.6   0.0
assign ( resid 107 and name hd2+ ) ( resid 111 and name  hg+ )   5.5   3.6   0.0
assign ( resid 107 and name hd2+ ) ( resid 111 and name   hn )   3.8   1.9   0.0
assign ( resid 107 and name hd2+ ) ( resid 111 and name  hb+ )   5.5   3.6   0.0
assign ( resid 107 and name   hn ) ( resid 111 and name   hn )   3.3   1.4   0.0
assign ( resid 107 and name   hn ) ( resid 112 and name   hn )   5.5   3.6   0.0
assign ( resid 107 and name   ha ) ( resid 113 and name  he+ )   5.5   3.6   0.0
assign ( resid 107 and name   hn ) ( resid 113 and name   hn )   5.5   3.6   0.0
assign ( resid 107 and name hd2+ ) ( resid 138 and name  hg+ )   5.5   3.6   0.0
assign ( resid 107 and name   ha ) ( resid 141 and name   hb )   3.8   1.9   0.0
assign ( resid 107 and name  hb+ ) ( resid 141 and name hg2+ )   5.5   3.6   0.0
assign ( resid 107 and name   ha ) ( resid 142 and name   hn )   4.2   2.3   0.0
assign ( resid 108 and name   ha ) ( resid 108 and name  hb+ )   3.3   1.4   0.0
assign ( resid 108 and name   ha ) ( resid 108 and name  hg+ )   3.8   1.9   0.0
assign ( resid 108 and name   ha ) ( resid 108 and name   hn )   3.8   1.9   0.0
assign ( resid 108 and name  hb+ ) ( resid 108 and name   hn )   3.8   1.9   0.0
assign ( resid 108 and name he2+ ) ( resid 108 and name  hg+ )   3.3   1.4   0.0
assign ( resid 108 and name  hg+ ) ( resid 108 and name   hn )   5.5   3.6   0.0
assign ( resid 108 and name   ha ) ( resid 109 and name   hn )   3.8   1.9   0.0
assign ( resid 108 and name  hb+ ) ( resid 109 and name   hn )   5.5   3.6   0.0
assign ( resid 108 and name  hg+ ) ( resid 109 and name   hn )   5.5   3.6   0.0
assign ( resid 108 and name   hn ) ( resid 109 and name   hn )   3.8   1.9   0.0
assign ( resid 108 and name he2+ ) ( resid 140 and name hg2+ )   3.8   1.9   0.0
assign ( resid 108 and name he2+ ) ( resid 140 and name hg1+ )   3.3   1.4   0.0
assign ( resid 108 and name he2+ ) ( resid 140 and name   hn )   5.5   3.6   0.0
assign ( resid 108 and name he2+ ) ( resid 140 and name   hb )   3.8   1.9   0.0
assign ( resid 108 and name he2+ ) ( resid 141 and name   ha )   5.5   3.6   0.0
assign ( resid 108 and name  hg+ ) ( resid 141 and name   ha )   5.5   3.6   0.0
assign ( resid 108 and name   hn ) ( resid 141 and name hg2+ )   5.5   3.6   0.0
assign ( resid 108 and name   hn ) ( resid 141 and name   ha )   5.5   3.6   0.0
assign ( resid 108 and name   ha ) ( resid 142 and name  hd+ )   5.5   3.6   0.0
assign ( resid 108 and name   ha ) ( resid 142 and name  hg+ )   5.5   3.6   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name  hb+ )   3.3   1.4   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name   hn )   2.8   0.9   0.0
assign ( resid 109 and name  hb+ ) ( resid 109 and name   hn )   2.8   0.9   0.0
assign ( resid 109 and name   ha ) ( resid 110 and name  hd+ )   5.5   3.6   0.0
assign ( resid 109 and name   ha ) ( resid 110 and name   hn )   3.3   1.4   0.0
assign ( resid 110 and name   ha ) ( resid 110 and name  hb+ )   3.8   1.9   0.0
assign ( resid 110 and name   ha ) ( resid 110 and name  hd+ )   3.8   1.9   0.0
assign ( resid 110 and name   ha ) ( resid 110 and name  he+ )   5.5   3.6   0.0
assign ( resid 110 and name  hb+ ) ( resid 110 and name   hn )   3.8   1.9   0.0
assign ( resid 110 and name   ha ) ( resid 111 and name   hn )   3.3   1.4   0.0
assign ( resid 110 and name  hb+ ) ( resid 111 and name   hn )   5.5   3.6   0.0
assign ( resid 111 and name   ha ) ( resid 111 and name   hn )   3.3   1.4   0.0
assign ( resid 111 and name  hb+ ) ( resid 111 and name   hn )   3.8   1.9   0.0
assign ( resid 111 and name  hg+ ) ( resid 111 and name   hn )   3.8   1.9   0.0
assign ( resid 111 and name   ha ) ( resid 112 and name   hn )   2.8   0.9   0.0
assign ( resid 111 and name   hn ) ( resid 112 and name   hn )   5.5   3.6   0.0
assign ( resid 112 and name  hg+ ) ( resid 112 and name   hn )   3.8   1.9   0.0
assign ( resid 112 and name  hg+ ) ( resid 113 and name   hn )   5.5   3.6   0.0
assign ( resid 112 and name  hb+ ) ( resid 114 and name   hn )   5.5   3.6   0.0
assign ( resid 112 and name  hg+ ) ( resid 114 and name   hn )   3.3   1.4   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name  hb2 )   3.8   1.9   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name  hb1 )   3.3   1.4   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name  hd+ )   2.8   0.9   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name   hn )   4.2   2.3   0.0
assign ( resid 113 and name  hb2 ) ( resid 113 and name   hn )   3.8   1.9   0.0
assign ( resid 113 and name  hb1 ) ( resid 113 and name   hn )   4.2   2.3   0.0
assign ( resid 113 and name   ha ) ( resid 114 and name   hn )   4.2   2.3   0.0
assign ( resid 113 and name  hb2 ) ( resid 114 and name   hn )   3.3   1.4   0.0
assign ( resid 113 and name  hb1 ) ( resid 114 and name   hn )   3.8   1.9   0.0
assign ( resid 113 and name   hn ) ( resid 114 and name   hn )   2.8   0.9   0.0
assign ( resid 113 and name  hd+ ) ( resid 134 and name   ha )   4.2   2.3   0.0
assign ( resid 113 and name  he+ ) ( resid 134 and name   ha )   5.5   3.6   0.0
assign ( resid 113 and name  hd+ ) ( resid 135 and name   hn )   2.8   0.9   0.0
assign ( resid 113 and name  he+ ) ( resid 135 and name   hn )   2.8   0.9   0.0
assign ( resid 113 and name  he+ ) ( resid 136 and name   hn )   2.8   0.9   0.0
assign ( resid 113 and name  hd+ ) ( resid 141 and name hd1+ )   3.8   1.9   0.0
assign ( resid 113 and name  hd+ ) ( resid 141 and name hg2+ )   5.5   3.6   0.0
assign ( resid 113 and name  he+ ) ( resid 141 and name hd1+ )   3.3   1.4   0.0
assign ( resid 113 and name  he+ ) ( resid 141 and name hg2+ )   2.8   0.9   0.0
assign ( resid 114 and name  ha+ ) ( resid 114 and name   hn )   4.2   2.3   0.0
assign ( resid 114 and name  ha+ ) ( resid 115 and name   hn )   3.3   1.4   0.0
assign ( resid 115 and name  hb+ ) ( resid 115 and name   he )   5.5   3.6   0.0
assign ( resid 115 and name  hd+ ) ( resid 115 and name   he )   3.8   1.9   0.0
assign ( resid 115 and name  hd+ ) ( resid 115 and name   hn )   5.5   3.6   0.0
assign ( resid 115 and name   he ) ( resid 115 and name  hg+ )   3.8   1.9   0.0
assign ( resid 115 and name  hg+ ) ( resid 115 and name   hn )   5.5   3.6   0.0
assign ( resid 115 and name   ha ) ( resid 116 and name   hn )   2.8   0.9   0.0
assign ( resid 115 and name  hb+ ) ( resid 116 and name   hn )   5.5   3.6   0.0
assign ( resid 115 and name   hn ) ( resid 116 and name   hn )   5.5   3.6   0.0
assign ( resid 116 and name   ha ) ( resid 116 and name   hn )   3.8   1.9   0.0
assign ( resid 116 and name  hb+ ) ( resid 116 and name   hn )   3.3   1.4   0.0
assign ( resid 116 and name  hb+ ) ( resid 119 and name he2+ )   5.5   3.6   0.0
assign ( resid 116 and name hd1+ ) ( resid 128 and name  hb2 )   3.8   1.9   0.0
assign ( resid 116 and name hd1+ ) ( resid 128 and name   hn )   5.5   3.6   0.0
assign ( resid 116 and name hd2+ ) ( resid 130 and name  hb+ )   3.8   1.9   0.0
assign ( resid 116 and name hd2+ ) ( resid 130 and name  hd+ )   3.8   1.9   0.0
assign ( resid 116 and name hd1+ ) ( resid 130 and name  hb+ )   5.5   3.6   0.0
assign ( resid 116 and name hd1+ ) ( resid 130 and name  hd+ )   2.8   0.9   0.0
assign ( resid 116 and name   hg ) ( resid 130 and name  hd+ )   5.5   3.6   0.0
assign ( resid 116 and name hd2+ ) ( resid 131 and name   hn )   5.5   3.6   0.0
assign ( resid 117 and name  hb+ ) ( resid 117 and name  hd2 )   5.5   3.6   0.0
assign ( resid 117 and name   ha ) ( resid 118 and name   hn )   2.8   0.9   0.0
assign ( resid 118 and name   ha ) ( resid 118 and name  hb+ )   4.2   2.3   0.0
assign ( resid 118 and name   ha ) ( resid 118 and name   hn )   3.8   1.9   0.0
assign ( resid 118 and name   hn ) ( resid 119 and name   hn )   3.8   1.9   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name  hb+ )   4.2   2.3   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name he2+ )   4.2   2.3   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name   hn )   3.3   1.4   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name   hn )   2.8   0.9   0.0
assign ( resid 119 and name he2+ ) ( resid 119 and name  hg+ )   3.8   1.9   0.0
assign ( resid 119 and name  hg+ ) ( resid 119 and name   hn )   2.8   0.9   0.0
assign ( resid 119 and name  hb+ ) ( resid 121 and name hd1+ )   5.5   3.6   0.0
assign ( resid 120 and name  hg+ ) ( resid 121 and name   hn )   5.5   3.6   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name hd1+ )   3.3   1.4   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name   hn )   3.3   1.4   0.0
assign ( resid 121 and name   hb ) ( resid 121 and name   hn )   2.8   0.9   0.0
assign ( resid 121 and name hg1+ ) ( resid 121 and name   hn )   2.8   0.9   0.0
assign ( resid 121 and name   ha ) ( resid 122 and name   hn )   2.8   0.9   0.0
assign ( resid 121 and name   hb ) ( resid 122 and name   hn )   3.8   1.9   0.0
assign ( resid 121 and name hd1+ ) ( resid 122 and name   hn )   4.2   2.3   0.0
assign ( resid 121 and name hd1+ ) ( resid 128 and name  he+ )   5.5   3.6   0.0
assign ( resid 121 and name hd1+ ) ( resid 128 and name   hz )   5.5   3.6   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name   hb )   2.8   0.9   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name hg2+ )   2.8   0.9   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name   hn )   3.8   1.9   0.0
assign ( resid 122 and name hg2+ ) ( resid 122 and name   hn )   2.8   0.9   0.0
assign ( resid 122 and name   ha ) ( resid 123 and name   hn )   2.8   0.9   0.0
assign ( resid 122 and name   hb ) ( resid 123 and name   hn )   2.8   0.9   0.0
assign ( resid 122 and name hg2+ ) ( resid 123 and name   hn )   2.8   0.9   0.0
assign ( resid 122 and name   hn ) ( resid 123 and name   hn )   5.5   3.6   0.0
assign ( resid 122 and name   ha ) ( resid 124 and name   hn )   5.5   3.6   0.0
assign ( resid 122 and name   hb ) ( resid 124 and name   hn )   3.3   1.4   0.0
assign ( resid 122 and name hg2+ ) ( resid 124 and name   hn )   4.2   2.3   0.0
assign ( resid 122 and name hg2+ ) ( resid 126 and name he2+ )   3.3   1.4   0.0
assign ( resid 122 and name   hn ) ( resid 126 and name he2+ )   5.5   3.6   0.0
assign ( resid 123 and name   ha ) ( resid 123 and name   hb )   2.8   0.9   0.0
assign ( resid 123 and name   ha ) ( resid 123 and name   hn )   3.8   1.9   0.0
assign ( resid 123 and name   ha ) ( resid 123 and name hg2+ )   2.8   0.9   0.0
assign ( resid 123 and name hg2+ ) ( resid 123 and name   hn )   2.8   0.9   0.0
assign ( resid 123 and name   ha ) ( resid 124 and name   hn )   3.8   1.9   0.0
assign ( resid 124 and name  hb+ ) ( resid 124 and name   hn )   2.8   0.9   0.0
assign ( resid 124 and name   ha ) ( resid 125 and name   hn )   5.5   3.6   0.0
assign ( resid 124 and name  hb+ ) ( resid 125 and name   hn )   2.8   0.9   0.0
assign ( resid 124 and name   hn ) ( resid 125 and name   hn )   5.5   3.6   0.0
assign ( resid 125 and name  hb+ ) ( resid 125 and name   hn )   2.8   0.9   0.0
assign ( resid 125 and name  hd1 ) ( resid 125 and name   hn )   3.3   1.4   0.0
assign ( resid 125 and name  hb+ ) ( resid 126 and name   hn )   3.8   1.9   0.0
assign ( resid 125 and name  hh2 ) ( resid 158 and name  hb1 )   5.5   3.6   0.0
assign ( resid 125 and name  hz2 ) ( resid 158 and name  hb1 )   5.5   3.6   0.0
assign ( resid 125 and name  hh2 ) ( resid 159 and name   ha )   5.5   3.6   0.0
assign ( resid 125 and name  hz3 ) ( resid 159 and name   ha )   3.8   1.9   0.0
assign ( resid 125 and name  hz3 ) ( resid 160 and name   hn )   5.5   3.6   0.0
assign ( resid 126 and name   ha ) ( resid 126 and name  hb+ )   4.2   2.3   0.0
assign ( resid 126 and name   ha ) ( resid 126 and name  hg+ )   4.2   2.3   0.0
assign ( resid 126 and name   ha ) ( resid 126 and name   hn )   4.2   2.3   0.0
assign ( resid 126 and name  hb+ ) ( resid 126 and name he2+ )   5.5   3.6   0.0
assign ( resid 126 and name  hb+ ) ( resid 126 and name   hn )   3.3   1.4   0.0
assign ( resid 126 and name he2+ ) ( resid 126 and name  hg+ )   4.2   2.3   0.0
assign ( resid 126 and name   ha ) ( resid 127 and name  hd+ )   3.3   1.4   0.0
assign ( resid 126 and name   ha ) ( resid 127 and name  hg+ )   5.5   3.6   0.0
assign ( resid 126 and name  hb+ ) ( resid 127 and name  hd+ )   3.8   1.9   0.0
assign ( resid 127 and name  hd+ ) ( resid 127 and name  hg+ )   3.8   1.9   0.0
assign ( resid 127 and name  hb+ ) ( resid 128 and name   hn )   5.5   3.6   0.0
assign ( resid 128 and name  hb2 ) ( resid 128 and name   hn )   2.8   0.9   0.0
assign ( resid 128 and name  hb1 ) ( resid 128 and name   hn )   3.3   1.4   0.0
assign ( resid 128 and name   ha ) ( resid 129 and name   hn )   2.8   0.9   0.0
assign ( resid 128 and name  hb1 ) ( resid 129 and name   hn )   3.3   1.4   0.0
assign ( resid 128 and name   hn ) ( resid 129 and name   hn )   5.5   3.6   0.0
assign ( resid 129 and name   ha ) ( resid 129 and name   hb )   3.3   1.4   0.0
assign ( resid 129 and name   ha ) ( resid 129 and name   hn )   3.8   1.9   0.0
assign ( resid 129 and name   ha ) ( resid 129 and name hg2+ )   3.3   1.4   0.0
assign ( resid 129 and name   hb ) ( resid 129 and name   hn )   3.3   1.4   0.0
assign ( resid 129 and name hg2+ ) ( resid 129 and name   hn )   2.8   0.9   0.0
assign ( resid 129 and name   ha ) ( resid 130 and name   hn )   2.8   0.9   0.0
assign ( resid 129 and name   hb ) ( resid 130 and name   hn )   3.3   1.4   0.0
assign ( resid 129 and name hg2+ ) ( resid 130 and name   ha )   5.5   3.6   0.0
assign ( resid 129 and name hg2+ ) ( resid 130 and name   hn )   2.8   0.9   0.0
assign ( resid 129 and name   hn ) ( resid 130 and name   hn )   5.5   3.6   0.0
assign ( resid 130 and name   ha ) ( resid 130 and name  hb+ )   3.3   1.4   0.0
assign ( resid 130 and name   ha ) ( resid 130 and name  hd+ )   5.5   3.6   0.0
assign ( resid 130 and name   ha ) ( resid 130 and name   hn )   3.8   1.9   0.0
assign ( resid 130 and name  hd+ ) ( resid 130 and name   hn )   3.3   1.4   0.0
assign ( resid 130 and name   ha ) ( resid 131 and name  hg+ )   5.5   3.6   0.0
assign ( resid 130 and name   ha ) ( resid 131 and name   hn )   2.8   0.9   0.0
assign ( resid 130 and name  hb+ ) ( resid 131 and name   hn )   2.8   0.9   0.0
assign ( resid 130 and name  hd+ ) ( resid 131 and name   hn )   5.5   3.6   0.0
assign ( resid 130 and name   hn ) ( resid 131 and name   hn )   5.5   3.6   0.0
assign ( resid 131 and name   ha ) ( resid 131 and name  hg+ )   3.3   1.4   0.0
assign ( resid 131 and name   ha ) ( resid 131 and name   hn )   3.8   1.9   0.0
assign ( resid 131 and name  hb+ ) ( resid 131 and name   hn )   2.8   0.9   0.0
assign ( resid 131 and name  hg+ ) ( resid 131 and name   hn )   2.8   0.9   0.0
assign ( resid 131 and name   ha ) ( resid 132 and name  hd+ )   5.5   3.6   0.0
assign ( resid 131 and name   ha ) ( resid 132 and name   hn )   2.8   0.9   0.0
assign ( resid 132 and name   ha ) ( resid 132 and name  hd+ )   4.2   2.3   0.0
assign ( resid 132 and name   ha ) ( resid 132 and name   hn )   3.8   1.9   0.0
assign ( resid 132 and name   ha ) ( resid 132 and name  hb+ )   3.8   1.9   0.0
assign ( resid 132 and name   ha ) ( resid 133 and name   hb )   5.5   3.6   0.0
assign ( resid 132 and name   ha ) ( resid 133 and name   hn )   2.8   0.9   0.0
assign ( resid 133 and name   hb ) ( resid 133 and name   hn )   2.8   0.9   0.0
assign ( resid 133 and name hg2+ ) ( resid 133 and name   hn )   3.3   1.4   0.0
assign ( resid 133 and name   hb ) ( resid 134 and name   hn )   5.5   3.6   0.0
assign ( resid 133 and name hg2+ ) ( resid 134 and name   ha )   5.5   3.6   0.0
assign ( resid 133 and name hg2+ ) ( resid 134 and name   hn )   2.8   0.9   0.0
assign ( resid 133 and name hg2+ ) ( resid 135 and name   hn )   5.5   3.6   0.0
assign ( resid 134 and name   ha ) ( resid 134 and name   hb )   5.5   3.6   0.0
assign ( resid 134 and name   ha ) ( resid 134 and name hg1+ )   3.3   1.4   0.0
assign ( resid 134 and name   ha ) ( resid 134 and name hg2+ )   3.3   1.4   0.0
assign ( resid 134 and name   ha ) ( resid 134 and name   hn )   3.3   1.4   0.0
assign ( resid 134 and name   hb ) ( resid 134 and name   hn )   2.8   0.9   0.0
assign ( resid 134 and name   ha ) ( resid 135 and name   hn )   2.8   0.9   0.0
assign ( resid 134 and name hg1+ ) ( resid 135 and name   hn )   3.8   1.9   0.0
assign ( resid 134 and name   hb ) ( resid 136 and name   hn )   5.5   3.6   0.0
assign ( resid 134 and name hg1+ ) ( resid 136 and name   hn )   2.8   0.9   0.0
assign ( resid 134 and name   ha ) ( resid 138 and name   hn )   4.2   2.3   0.0
assign ( resid 134 and name hg1+ ) ( resid 138 and name   hn )   3.3   1.4   0.0
assign ( resid 135 and name   ha ) ( resid 135 and name   hn )   3.3   1.4   0.0
assign ( resid 135 and name  hb+ ) ( resid 135 and name   hn )   3.8   1.9   0.0
assign ( resid 135 and name   hn ) ( resid 136 and name   hn )   2.8   0.9   0.0
assign ( resid 135 and name  hb+ ) ( resid 138 and name   hn )   5.5   3.6   0.0
assign ( resid 136 and name   ha ) ( resid 136 and name  hb+ )   3.3   1.4   0.0
assign ( resid 136 and name   ha ) ( resid 137 and name   hn )   3.3   1.4   0.0
assign ( resid 136 and name  hb+ ) ( resid 137 and name   hn )   2.8   0.9   0.0
assign ( resid 136 and name  hb+ ) ( resid 138 and name   hn )   5.5   3.6   0.0
assign ( resid 136 and name   hn ) ( resid 138 and name   hn )   3.8   1.9   0.0
assign ( resid 137 and name  hb+ ) ( resid 137 and name   hn )   4.2   2.3   0.0
assign ( resid 137 and name   hn ) ( resid 138 and name   hn )   2.8   0.9   0.0
assign ( resid 138 and name   ha ) ( resid 138 and name  hg+ )   5.5   3.6   0.0
assign ( resid 138 and name   ha ) ( resid 138 and name   hn )   3.3   1.4   0.0
assign ( resid 138 and name  hg+ ) ( resid 138 and name   hn )   2.8   0.9   0.0
assign ( resid 138 and name   ha ) ( resid 139 and name hg2+ )   4.2   2.3   0.0
assign ( resid 138 and name   ha ) ( resid 139 and name   hn )   2.8   0.9   0.0
assign ( resid 138 and name   hn ) ( resid 139 and name   hn )   5.5   3.6   0.0
assign ( resid 138 and name   ha ) ( resid 140 and name   hn )   3.3   1.4   0.0
assign ( resid 139 and name hg2+ ) ( resid 139 and name   hn )   3.3   1.4   0.0
assign ( resid 139 and name   hn ) ( resid 140 and name   hn )   2.8   0.9   0.0
assign ( resid 140 and name hg1+ ) ( resid 140 and name   hn )   3.8   1.9   0.0
assign ( resid 140 and name   ha ) ( resid 141 and name   hn )   2.8   0.9   0.0
assign ( resid 140 and name   hb ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid 140 and name hg2+ ) ( resid 141 and name   hn )   3.8   1.9   0.0
assign ( resid 140 and name hg1+ ) ( resid 141 and name   hn )   3.3   1.4   0.0
assign ( resid 140 and name   hn ) ( resid 141 and name hg2+ )   5.5   3.6   0.0
assign ( resid 141 and name   ha ) ( resid 141 and name   hb )   3.3   1.4   0.0
assign ( resid 141 and name   ha ) ( resid 141 and name   hn )   4.2   2.3   0.0
assign ( resid 141 and name   hb ) ( resid 141 and name hd1+ )   3.3   1.4   0.0
assign ( resid 141 and name hd1+ ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid 141 and name hd1+ ) ( resid 141 and name hg2+ )   2.8   0.9   0.0
assign ( resid 141 and name hg1+ ) ( resid 141 and name   hn )   5.5   3.6   0.0
assign ( resid 141 and name hg2+ ) ( resid 141 and name   hn )   3.8   1.9   0.0
assign ( resid 141 and name   ha ) ( resid 142 and name   hn )   3.3   1.4   0.0
assign ( resid 141 and name   hb ) ( resid 142 and name   hn )   2.8   0.9   0.0
assign ( resid 141 and name hd1+ ) ( resid 142 and name   hn )   3.3   1.4   0.0
assign ( resid 141 and name hg2+ ) ( resid 142 and name   hn )   3.3   1.4   0.0
assign ( resid 142 and name   ha ) ( resid 142 and name  hb+ )   3.8   1.9   0.0
assign ( resid 142 and name   ha ) ( resid 142 and name  hg+ )   4.2   2.3   0.0
assign ( resid 142 and name   ha ) ( resid 142 and name   hn )   3.8   1.9   0.0
assign ( resid 142 and name  hb+ ) ( resid 142 and name   hn )   5.5   3.6   0.0
assign ( resid 142 and name  hd+ ) ( resid 142 and name   he )   4.2   2.3   0.0
assign ( resid 142 and name   he ) ( resid 142 and name  hg+ )   5.5   3.6   0.0
assign ( resid 142 and name  hg+ ) ( resid 142 and name   hn )   3.3   1.4   0.0
assign ( resid 142 and name   ha ) ( resid 143 and name  hb+ )   5.5   3.6   0.0
assign ( resid 142 and name   ha ) ( resid 143 and name   hn )   2.8   0.9   0.0
assign ( resid 142 and name  hb+ ) ( resid 143 and name   hn )   3.8   1.9   0.0
assign ( resid 143 and name   ha ) ( resid 143 and name   hn )   5.5   3.6   0.0
assign ( resid 143 and name  hb+ ) ( resid 143 and name   hn )   2.8   0.9   0.0
assign ( resid 143 and name   ha ) ( resid 144 and name  hd+ )   4.2   2.3   0.0
assign ( resid 144 and name   ha ) ( resid 144 and name  hb+ )   5.5   3.6   0.0
assign ( resid 144 and name   ha ) ( resid 145 and name   hn )   2.8   0.9   0.0
assign ( resid 144 and name  hb+ ) ( resid 145 and name   hn )   4.2   2.3   0.0
assign ( resid 145 and name   hb ) ( resid 145 and name   hn )   2.8   0.9   0.0
assign ( resid 145 and name hd1+ ) ( resid 145 and name hg2+ )   2.8   0.9   0.0
assign ( resid 145 and name hd1+ ) ( resid 145 and name   hn )   5.5   3.6   0.0
assign ( resid 145 and name hg1+ ) ( resid 145 and name hg2+ )   3.8   1.9   0.0
assign ( resid 145 and name hg1+ ) ( resid 145 and name   hn )   5.5   3.6   0.0
assign ( resid 145 and name hg2+ ) ( resid 145 and name   hn )   4.2   2.3   0.0
assign ( resid 145 and name   hb ) ( resid 146 and name   hn )   5.5   3.6   0.0
assign ( resid 145 and name hg2+ ) ( resid 146 and name  he1 )   5.5   3.6   0.0
assign ( resid 145 and name hg2+ ) ( resid 146 and name   hn )   3.3   1.4   0.0
assign ( resid 145 and name hg2+ ) ( resid 157 and name hg2+ )   5.5   3.6   0.0
assign ( resid 145 and name hg2+ ) ( resid 159 and name hd1+ )   4.2   2.3   0.0
assign ( resid 145 and name hg2+ ) ( resid 159 and name hg2+ )   3.3   1.4   0.0
assign ( resid 145 and name hg2+ ) ( resid 162 and name hd2+ )   5.5   3.6   0.0
assign ( resid 146 and name   ha ) ( resid 146 and name  hd2 )   5.5   3.6   0.0
assign ( resid 146 and name   ha ) ( resid 146 and name   hn )   3.8   1.9   0.0
assign ( resid 146 and name  hb+ ) ( resid 146 and name   hn )   3.3   1.4   0.0
assign ( resid 146 and name   ha ) ( resid 147 and name   hn )   2.8   0.9   0.0
assign ( resid 146 and name  hb+ ) ( resid 147 and name   hn )   5.5   3.6   0.0
assign ( resid 146 and name  hd2 ) ( resid 147 and name   hn )   5.5   3.6   0.0
assign ( resid 146 and name   hn ) ( resid 147 and name   hn )   5.5   3.6   0.0
assign ( resid 146 and name  hb+ ) ( resid 148 and name   hn )   5.5   3.6   0.0
assign ( resid 147 and name   ha ) ( resid 147 and name  hb+ )   3.8   1.9   0.0
assign ( resid 147 and name   ha ) ( resid 147 and name  hd+ )   3.8   1.9   0.0
assign ( resid 147 and name   ha ) ( resid 147 and name   hn )   4.2   2.3   0.0
assign ( resid 147 and name  hb+ ) ( resid 147 and name   hn )   3.8   1.9   0.0
assign ( resid 147 and name   ha ) ( resid 148 and name   hn )   5.5   3.6   0.0
assign ( resid 147 and name   ha ) ( resid 149 and name  hd+ )   4.2   2.3   0.0
assign ( resid 147 and name   ha ) ( resid 152 and name hd2+ )   5.5   3.6   0.0
assign ( resid 148 and name  ha+ ) ( resid 148 and name   hn )   2.8   0.9   0.0
assign ( resid 148 and name  ha+ ) ( resid 149 and name   hn )   3.8   1.9   0.0
assign ( resid 148 and name   hn ) ( resid 149 and name   hn )   5.5   3.6   0.0
assign ( resid 149 and name   ha ) ( resid 149 and name  hb+ )   3.8   1.9   0.0
assign ( resid 149 and name   ha ) ( resid 149 and name  hd+ )   3.8   1.9   0.0
assign ( resid 149 and name   ha ) ( resid 149 and name   hn )   4.2   2.3   0.0
assign ( resid 149 and name  hb+ ) ( resid 149 and name   hn )   2.8   0.9   0.0
assign ( resid 149 and name  hd+ ) ( resid 149 and name   hn )   5.5   3.6   0.0
assign ( resid 149 and name   ha ) ( resid 150 and name  hb+ )   3.8   1.9   0.0
assign ( resid 149 and name   ha ) ( resid 150 and name   hn )   3.3   1.4   0.0
assign ( resid 149 and name  hb+ ) ( resid 150 and name   hn )   4.2   2.3   0.0
assign ( resid 149 and name   ha ) ( resid 151 and name   hn )   5.5   3.6   0.0
assign ( resid 149 and name  hb+ ) ( resid 151 and name  hb+ )   5.5   3.6   0.0
assign ( resid 149 and name  hb+ ) ( resid 152 and name hd2+ )   5.5   3.6   0.0
assign ( resid 149 and name  hb+ ) ( resid 152 and name   hn )   3.8   1.9   0.0
assign ( resid 149 and name  hd+ ) ( resid 152 and name hd2+ )   5.5   3.6   0.0
assign ( resid 149 and name   hn ) ( resid 152 and name hd2+ )   4.2   2.3   0.0
assign ( resid 150 and name   ha ) ( resid 150 and name   hn )   5.5   3.6   0.0
assign ( resid 150 and name  hb+ ) ( resid 150 and name   hn )   2.8   0.9   0.0
assign ( resid 150 and name   ha ) ( resid 151 and name   hn )   5.5   3.6   0.0
assign ( resid 150 and name  hb+ ) ( resid 151 and name   hn )   2.8   0.9   0.0
assign ( resid 150 and name   hn ) ( resid 151 and name   hn )   5.5   3.6   0.0
assign ( resid 150 and name   ha ) ( resid 152 and name   hn )   5.5   3.6   0.0
assign ( resid 150 and name  hb+ ) ( resid 152 and name   hn )   5.5   3.6   0.0
assign ( resid 150 and name   ha ) ( resid 153 and name hg2+ )   2.8   0.9   0.0
assign ( resid 150 and name   ha ) ( resid 153 and name   hn )   5.5   3.6   0.0
assign ( resid 150 and name  hb+ ) ( resid 153 and name   hn )   5.5   3.6   0.0
assign ( resid 151 and name   ha ) ( resid 151 and name   hn )   3.3   1.4   0.0
assign ( resid 151 and name  hb+ ) ( resid 151 and name   hn )   2.8   0.9   0.0
assign ( resid 151 and name   ha ) ( resid 152 and name   hn )   4.2   2.3   0.0
assign ( resid 151 and name  hb+ ) ( resid 152 and name   hn )   3.3   1.4   0.0
assign ( resid 151 and name   hn ) ( resid 152 and name   hn )   3.3   1.4   0.0
assign ( resid 151 and name  hb+ ) ( resid 153 and name   hn )   4.2   2.3   0.0
assign ( resid 152 and name  hb+ ) ( resid 152 and name hd2+ )   3.8   1.9   0.0
assign ( resid 152 and name  hb+ ) ( resid 152 and name   hn )   2.8   0.9   0.0
assign ( resid 152 and name hd2+ ) ( resid 152 and name   hn )   5.5   3.6   0.0
assign ( resid 152 and name  hb+ ) ( resid 153 and name   hn )   5.5   3.6   0.0
assign ( resid 152 and name   hn ) ( resid 153 and name   hn )   2.8   0.9   0.0
assign ( resid 152 and name   hn ) ( resid 153 and name hg2+ )   3.8   1.9   0.0
assign ( resid 152 and name  hb+ ) ( resid 157 and name hd1+ )   3.8   1.9   0.0
assign ( resid 152 and name hd2+ ) ( resid 157 and name hd1+ )   4.2   2.3   0.0
assign ( resid 153 and name   ha ) ( resid 153 and name   hb )   3.8   1.9   0.0
assign ( resid 153 and name   ha ) ( resid 153 and name hg1+ )   2.8   0.9   0.0
assign ( resid 153 and name   ha ) ( resid 153 and name hg2+ )   2.8   0.9   0.0
assign ( resid 153 and name   hb ) ( resid 153 and name   hn )   2.8   0.9   0.0
assign ( resid 153 and name hg1+ ) ( resid 153 and name   hn )   3.3   1.4   0.0
assign ( resid 153 and name hg2+ ) ( resid 153 and name   hn )   2.8   0.9   0.0
assign ( resid 153 and name   ha ) ( resid 154 and name  ha+ )   5.5   3.6   0.0
assign ( resid 153 and name   ha ) ( resid 154 and name   hn )   2.8   0.9   0.0
assign ( resid 153 and name   hb ) ( resid 154 and name   hn )   5.5   3.6   0.0
assign ( resid 153 and name hg1+ ) ( resid 154 and name   hn )   2.8   0.9   0.0
assign ( resid 153 and name hg2+ ) ( resid 154 and name   hn )   3.8   1.9   0.0
assign ( resid 153 and name   hn ) ( resid 154 and name   hn )   5.5   3.6   0.0
assign ( resid 153 and name   ha ) ( resid 155 and name   hn )   5.5   3.6   0.0
assign ( resid 153 and name hg1+ ) ( resid 155 and name   hn )   4.2   2.3   0.0
assign ( resid 154 and name  ha+ ) ( resid 154 and name   hn )   3.3   1.4   0.0
assign ( resid 154 and name  ha+ ) ( resid 155 and name   hn )   5.5   3.6   0.0
assign ( resid 154 and name   hn ) ( resid 155 and name   hn )   2.8   0.9   0.0
assign ( resid 155 and name   ha ) ( resid 155 and name   hn )   3.3   1.4   0.0
assign ( resid 155 and name  hb+ ) ( resid 155 and name   hn )   2.8   0.9   0.0
assign ( resid 155 and name hd2+ ) ( resid 155 and name   hn )   5.5   3.6   0.0
assign ( resid 155 and name   hn ) ( resid 157 and name hd1+ )   5.5   3.6   0.0
assign ( resid 156 and name   hb ) ( resid 156 and name   hn )   2.8   0.9   0.0
assign ( resid 156 and name   ha ) ( resid 157 and name   hn )   2.8   0.9   0.0
assign ( resid 156 and name   hb ) ( resid 157 and name   hn )   5.5   3.6   0.0
assign ( resid 156 and name hg2+ ) ( resid 157 and name   hn )   2.8   0.9   0.0
assign ( resid 156 and name   hb ) ( resid 158 and name  he+ )   5.5   3.6   0.0
assign ( resid 156 and name hg2+ ) ( resid 158 and name  hd+ )   5.5   3.6   0.0
assign ( resid 156 and name hg2+ ) ( resid 158 and name  he+ )   3.8   1.9   0.0
assign ( resid 157 and name   hb ) ( resid 157 and name   hn )   2.8   0.9   0.0
assign ( resid 157 and name hd1+ ) ( resid 157 and name   hn )   2.8   0.9   0.0
assign ( resid 157 and name hg1+ ) ( resid 157 and name   hn )   3.3   1.4   0.0
assign ( resid 157 and name   ha ) ( resid 158 and name   hn )   2.8   0.9   0.0
assign ( resid 157 and name   hb ) ( resid 158 and name   hn )   5.5   3.6   0.0
assign ( resid 157 and name hd1+ ) ( resid 158 and name   hn )   5.5   3.6   0.0
assign ( resid 157 and name hg2+ ) ( resid 158 and name   hn )   2.8   0.9   0.0
assign ( resid 157 and name   hn ) ( resid 158 and name   hn )   5.5   3.6   0.0
assign ( resid 158 and name   ha ) ( resid 158 and name  hb2 )   4.2   2.3   0.0
assign ( resid 158 and name   ha ) ( resid 158 and name  hb1 )   3.8   1.9   0.0
assign ( resid 158 and name   ha ) ( resid 158 and name  hd+ )   5.5   3.6   0.0
assign ( resid 158 and name   ha ) ( resid 158 and name   hn )   5.5   3.6   0.0
assign ( resid 158 and name  hb2 ) ( resid 158 and name   hn )   3.3   1.4   0.0
assign ( resid 158 and name  hb1 ) ( resid 158 and name   hn )   3.8   1.9   0.0
assign ( resid 158 and name  hd+ ) ( resid 158 and name   hn )   4.2   2.3   0.0
assign ( resid 158 and name   ha ) ( resid 159 and name   hn )   2.8   0.9   0.0
!removed 21/05/01: assign ( resid 158 and name   ha ) ( resid 159 and name hg2+ )   4.2   2.3   0.0
assign ( resid 158 and name  hb1 ) ( resid 159 and name   hn )   3.8   1.9   0.0
assign ( resid 159 and name   ha ) ( resid 159 and name hg2+ )   2.8   0.9   0.0
assign ( resid 159 and name   ha ) ( resid 159 and name   hn )   4.2   2.3   0.0
assign ( resid 159 and name   hb ) ( resid 159 and name hd1+ )   3.3   1.4   0.0
assign ( resid 159 and name   hb ) ( resid 159 and name   hn )   3.8   1.9   0.0
assign ( resid 159 and name hd1+ ) ( resid 159 and name   hn )   4.2   2.3   0.0
assign ( resid 159 and name hg1+ ) ( resid 159 and name   hn )   3.3   1.4   0.0
assign ( resid 159 and name hg2+ ) ( resid 159 and name   hn )   3.8   1.9   0.0
assign ( resid 159 and name   ha ) ( resid 160 and name   hn )   2.8   0.9   0.0
assign ( resid 159 and name   hb ) ( resid 160 and name   hn )   3.8   1.9   0.0
assign ( resid 159 and name hd1+ ) ( resid 160 and name   hn )   5.5   3.6   0.0
assign ( resid 159 and name hg2+ ) ( resid 160 and name   ha )   5.5   3.6   0.0
assign ( resid 159 and name hg2+ ) ( resid 160 and name   hn )   3.3   1.4   0.0
assign ( resid 160 and name   ha ) ( resid 160 and name  hb+ )   4.2   2.3   0.0
assign ( resid 160 and name   ha ) ( resid 160 and name   hn )   3.8   1.9   0.0
assign ( resid 160 and name  hb+ ) ( resid 160 and name   hn )   3.3   1.4   0.0
assign ( resid 160 and name   ha ) ( resid 161 and name  ha+ )   5.5   3.6   0.0
assign ( resid 160 and name   ha ) ( resid 161 and name   hn )   3.3   1.4   0.0
assign ( resid 160 and name  hb+ ) ( resid 161 and name   hn )   5.5   3.6   0.0
assign ( resid 160 and name   ha ) ( resid 162 and name   hn )   5.5   3.6   0.0
assign ( resid 161 and name  ha+ ) ( resid 162 and name   hn )   4.2   2.3   0.0
assign ( resid 161 and name   hn ) ( resid 162 and name   hn )   3.8   1.9   0.0
assign ( resid 162 and name   ha ) ( resid 162 and name hd1+ )   3.3   1.4   0.0
assign ( resid 162 and name   ha ) ( resid 162 and name   hn )   5.5   3.6   0.0
assign ( resid 162 and name  hb+ ) ( resid 162 and name   hn )   2.8   0.9   0.0
assign ( resid 162 and name  hb+ ) ( resid 162 and name hd1+ )   5.5   3.6   0.0
assign ( resid 162 and name  hb+ ) ( resid 162 and name hd2+ )   3.8   1.9   0.0
assign ( resid 162 and name hd1+ ) ( resid 162 and name   hn )   4.2   2.3   0.0
assign ( resid 162 and name hd2+ ) ( resid 162 and name   hn )   4.2   2.3   0.0
assign ( resid 162 and name   ha ) ( resid 163 and name   hn )   2.8   0.9   0.0
assign ( resid 162 and name  hb+ ) ( resid 163 and name   hn )   4.2   2.3   0.0
assign ( resid 162 and name hd1+ ) ( resid 163 and name   hn )   2.8   0.9   0.0
assign ( resid 162 and name hd2+ ) ( resid 163 and name   hn )   5.5   3.6   0.0
assign ( resid 162 and name   hn ) ( resid 163 and name   hn )   5.5   3.6   0.0
assign ( resid 162 and name hd1+ ) ( resid 164 and name   hn )   5.5   3.6   0.0
assign ( resid 163 and name  hb+ ) ( resid 163 and name   hn )   2.8   0.9   0.0
assign ( resid 163 and name  hb+ ) ( resid 164 and name   hn )   2.8   0.9   0.0
assign ( resid 164 and name   ha ) ( resid 164 and name   hn )   5.5   3.6   0.0
assign ( resid 164 and name   ha ) ( resid 164 and name hg2+ )   3.3   1.4   0.0
assign ( resid 164 and name   hb ) ( resid 164 and name   hn )   2.8   0.9   0.0
assign ( resid 164 and name   ha ) ( resid 165 and name  hb+ )   5.5   3.6   0.0
assign ( resid 164 and name   ha ) ( resid 165 and name   hn )   2.8   0.9   0.0
assign ( resid 164 and name   hb ) ( resid 165 and name   hn )   5.5   3.6   0.0
assign ( resid 164 and name hg2+ ) ( resid 165 and name   ha )   5.5   3.6   0.0
assign ( resid 164 and name hg2+ ) ( resid 165 and name   hn )   3.3   1.4   0.0
assign ( resid 164 and name hg2+ ) ( resid 165 and name  hb+ )   5.5   3.6   0.0
assign ( resid 164 and name   hn ) ( resid 165 and name  hb+ )   5.5   3.6   0.0
assign ( resid 164 and name   hn ) ( resid 165 and name   hn )   5.5   3.6   0.0
assign ( resid 165 and name   ha ) ( resid 165 and name   hn )   3.8   1.9   0.0
assign ( resid 165 and name  hb+ ) ( resid 165 and name   hn )   2.8   0.9   0.0
assign ( resid 165 and name   ha ) ( resid 166 and name   hn )   2.8   0.9   0.0
assign ( resid 165 and name  hb+ ) ( resid 166 and name   hn )   2.8   0.9   0.0
assign ( resid 166 and name   ha ) ( resid 166 and name  hb+ )   3.3   1.4   0.0
assign ( resid 166 and name   ha ) ( resid 166 and name   hn )   3.3   1.4   0.0
assign ( resid 166 and name  hb+ ) ( resid 166 and name   hn )   3.3   1.4   0.0
!restraints added 14/05/01
assign ( resid  42 and name  he+ ) ( resid  59 and name hg1+ )   5.5   3.6   0.0
assign ( resid  42 and name  he+ ) ( resid  59 and name hg2+ )   5.5   3.6   0.0
assign ( resid  42 and name  he+ ) ( resid  57 and name hd2+ )   5.5   3.6   0.0
assign ( resid  42 and name  he+ ) ( resid  30 and name hd1+ )   5.5   3.6   0.0
assign ( resid  42 and name  he+ ) ( resid  21 and name hd1+ )   5.5   3.6   0.0
assign ( resid  42 and name  he+ ) ( resid  71 and name hg2+ )   5.5   3.6   0.0
assign ( resid  42 and name  he+ ) ( resid  21 and name hd2+ )   5.5   3.6   0.0
assign ( resid  42 and name  he+ ) ( resid  32 and name hg2+ )   5.5   3.6   0.0
assign ( resid 110 and name  hd+ ) ( resid 142 and name  hd1 )   5.5   3.6   0.0
assign ( resid 110 and name  hd+ ) ( resid 109 and name   ha )   5.5   3.6   0.0
assign ( resid 110 and name  hd+ ) ( resid 111 and name   hn )   5.5   3.6   0.0
assign ( resid 110 and name  he+ ) ( resid 108 and name   ha )   5.5   3.6   0.0
assign ( resid 110 and name  he+ ) ( resid 109 and name   ha )   5.5   3.6   0.0
assign ( resid  69 and name  hd1 ) ( resid  70 and name   hn )   5.5   3.6   0.0
!restraints added 18/05/01 to help the formation of high affinity calcium binding site
assign ( resid  11 and name   cd ) ( resid 160 and name   cg )   6.0   3.6   0.0
!restraints added 18/05/01 to help the formation of high affinity calcium binding site
!assign ( resid  69 and name  hz2 ) ( resid 146 and name  hb+ )   5.5   3.6   0.0
!assign ( resid  69 and name  hz2 ) ( resid 146 and name  hb+ )   5.5   3.6   0.0
assign ( resid  28 and name  hz2 ) ( resid  73 and name  hb+ )   5.5   3.6   0.0
assign ( resid  28 and name  hz2 ) ( resid 162 and name  hb+ )   5.5   3.6   0.0
assign ( resid  28 and name  hz2 ) ( resid 101 and name hg1+ )   5.5   3.6   0.0
assign ( resid  28 and name  hz2 ) ( resid 162 and name hd2+ )   5.5   3.6   0.0
!Restraints added 31may01
assign ( resid  69 and name  he3 ) ( resid  69 and name  hb1 )   5.5   3.6   0.0
assign ( resid  69 and name  he3 ) ( resid  68 and name  hd1 )   5.5   3.6   0.0
assign ( resid  69 and name  he3 ) ( resid  69 and name  hb2 )   5.5   3.6   0.0
assign ( resid  69 and name  he3 ) ( resid  69 and name   ha )   5.5   3.6   0.0
assign ( resid  69 and name  he3 ) ( resid  69 and name   hn )   4.2   2.3   0.0
!added 01/06/01
assign ( resid  69 and name  hd1 ) ( resid  69 and name  hb2 )   5.5   3.6   0.0
assign ( resid  69 and name  hd1 ) ( resid  69 and name  hb1 )   5.5   3.6   0.0
assign ( resid  69 and name  hd1 ) ( resid  69 and name   ha )   5.5   3.6   0.0
assign ( resid  69 and name  he3 ) ( resid  68 and name  hg2 )   5.5   3.6   0.0
assign ( resid   5 and name   hn )

!cbm_ambigs.tbl
!# ambiguous NOES
       ( ( resid 164 and name hd1+ ) or ( resid 164 and name hd2+ ) )    4.20 2.30 0.00   ! 7
assign ( resid  10 and name   hn )
       ( ( resid   6 and name hd1+ ) or ( resid   6 and name hg2+ ) 
      or ( resid  44 and name hg1+ ) or ( resid  44 and name hg2+ ) )    5.50 3.60 0.00   ! 7
assign ( resid  11 and name   hn )
       ( ( resid   7 and name   hn ) or ( resid  27 and name   hn ) )    4.20 2.30 0.00   ! 7
assign ( resid  13 and name   hn )
       ( ( resid  44 and name hg1+ ) or ( resid  44 and name hg2+ ) 
            or ( resid  25 and name hg1+ ) )    3.30 1.40 0.00   ! 7
assign ( resid  31 and name   hn )
       ( ( resid  72 and name  hb1 ) or ( resid  72 and name  hb2 ) )    4.20 2.30 0.00   ! 7
assign ( resid  32 and name   hn )
       ( ( resid  21 and name hd1+ ) or ( resid  36 and name hg2+ ) )    5.50 3.60 0.00   ! 7
assign ( resid  41 and name   hn )
       ( ( resid  59 and name   ha ) or ( resid 157 and name   ha ) )    5.50 3.60 0.00   ! 7
assign ( resid  57 and name   hn )
       ( ( resid  44 and name hg1+ ) or ( resid  44 and name hg2+ ) )    5.50 3.60 0.00   ! 7
assign ( resid  71 and name   hn )
       ( ( resid 148 and name  ha2 ) or ( resid  69 and name   ha ) )    3.30 1.40 0.00   ! 7
assign ( resid  99 and name   hn )
       ( ( resid 121 and name  hd1 ) or ( resid 100 and name hg2+ ) )    5.50 3.60 0.00   ! 7
assign ( resid 107 and name hd21 )
       ( ( resid 111 and name  hb1 ) or ( resid 111 and name  hb2 ) )    2.80 0.90 0.00   ! 7
assign ( resid 107 and name hd21 )
       ( ( resid 111 and name  hg1 ) or ( resid 111 and name  hg2 ) )    3.30 1.40 0.00   ! 7
assign ( resid 107 and name hd22 )
       ( ( resid 111 and name  hb1 ) or ( resid 111 and name  hb2 ) )    2.80 0.90 0.00   ! 7
assign ( resid 107 and name hd22 )
       ( ( resid 107 and name  hb1 ) or ( resid 113 and name  hb2 ) )    2.80 0.90 0.00   ! 7
assign ( resid 152 and name hd21 )
       ( ( resid  64 and name hg2+ ) or ( resid 101 and name hg2+ ) )    4.20 2.30 0.00   ! 7
assign ( resid 155 and name hd21 )
       ( ( resid  97 and name  hb2 ) or ( resid 155 and name  hb1 ) 
      or ( resid 155 and name  hb2 ) )    2.80 0.90 0.00   ! 7
assign ( resid 155 and name hd22 )
       ( ( resid  97 and name  hb2 ) or ( resid 155 and name  hb1 ) 
      or ( resid 155 and name  hb2 ) )    2.80 0.90 0.00   ! 7

!cbm_hbonds.tbl
!##### H bonds
assign (resid    16  and name HN   )(resid    44  and name O    )   2.3 0.5 0.2 
assign (resid    16  and name N    )(resid    44  and name O    )   3.3 0.8 0.2 
assign (resid    28  and name HN   )(resid    25  and name O    )   2.3 0.5 0.2 
assign (resid    28  and name N    )(resid    25  and name O    )   3.3 0.8 0.2 
assign (resid    29  and name HN   )(resid    74  and name O    )   2.3 0.5 0.2 
assign (resid    29  and name N    )(resid    74  and name O    )   3.3 0.8 0.2 
assign (resid    31  and name HN   )(resid    72  and name O    )   2.3 0.5 0.2 
assign (resid    31  and name N    )(resid    72  and name O    )   3.3 0.8 0.2 
assign (resid    41  and name HN   )(resid    60  and name O    )   2.3 0.5 0.2 
assign (resid    41  and name N    )(resid    60  and name O    )   3.3 0.8 0.2 
assign (resid    43  and name HN   )(resid    58  and name O    )   2.3 0.5 0.2 
assign (resid    43  and name N    )(resid    58  and name O    )   3.3 0.8 0.2 
assign (resid    44  and name HN   )(resid    16  and name O    )   2.3 0.5 0.2 
assign (resid    44  and name N    )(resid    16  and name O    )   3.3 0.8 0.2 
assign (resid    45  and name HN   )(resid    56  and name O    )   2.3 0.5 0.2 
assign (resid    45  and name N    )(resid    56  and name O    )   3.3 0.8 0.2 
assign (resid    47  and name HN   )(resid    54  and name O    )   2.3 0.5 0.2 
assign (resid    47  and name N    )(resid    54  and name O    )   3.3 0.8 0.2 
assign (resid    56  and name HN   )(resid    45  and name O    )   2.3 0.5 0.2 
assign (resid    56  and name N    )(resid    45  and name O    )   3.3 0.8 0.2 
assign (resid    57  and name HN   )(resid   159  and name O    )   2.3 0.5 0.2 
assign (resid    57  and name N    )(resid   159  and name O    )   3.3 0.8 0.2 
assign (resid    58  and name HN   )(resid    43  and name O    )   2.3 0.5 0.2 
assign (resid    58  and name N    )(resid    43  and name O    )   3.3 0.8 0.2 
assign (resid    59  and name HN   )(resid   157  and name O    )   2.3 0.5 0.2 
assign (resid    59  and name N    )(resid   157  and name O    )   3.3 0.8 0.2 
assign (resid    60  and name HN   )(resid    41  and name O    )   2.3 0.5 0.2 
assign (resid    60  and name N    )(resid    41  and name O    )   3.3 0.8 0.2 
assign (resid    61  and name HN   )(resid   155  and name O    )   2.3 0.5 0.2 
assign (resid    61  and name N    )(resid   155  and name O    )   3.3 0.8 0.2 
assign (resid    71  and name HN   )(resid   147  and name O    )   2.3 0.5 0.2 
assign (resid    71  and name N    )(resid   147  and name O    )   3.3 0.8 0.2 
assign (resid    72  and name HN   )(resid    31  and name O    )   2.3 0.5 0.2 
assign (resid    72  and name N    )(resid    31  and name O    )   3.3 0.8 0.2 
assign (resid    73  and name HN   )(resid   145  and name O    )   2.3 0.5 0.2 
assign (resid    73  and name N    )(resid   145  and name O    )   3.3 0.8 0.2 
assign (resid    74  and name HN   )(resid    29  and name O    )   2.3 0.5 0.2 
assign (resid    74  and name N    )(resid    29  and name O    )   3.3 0.8 0.2 
assign (resid    75  and name HN   )(resid   143  and name O    )   2.3 0.5 0.2 
assign (resid    75  and name N    )(resid   143  and name O    )   3.3 0.8 0.2 
assign (resid    76  and name HN   )(resid    27  and name O    )   2.3 0.5 0.2 
assign (resid    76  and name N    )(resid    27  and name O    )   3.3 0.8 0.2 
assign (resid    78  and name HN   )(resid   141  and name O    )   2.3 0.5 0.2 
assign (resid    78  and name N    )(resid   141  and name O    )   3.3 0.8 0.2 
assign (resid    86  and name HN   )(resid   132  and name O    )   2.3 0.5 0.2 
assign (resid    86  and name N    )(resid   132  and name O    )   3.3 0.8 0.2 
assign (resid    87  and name HN   )(resid   165  and name O    )   2.3 0.5 0.2 
assign (resid    87  and name N    )(resid   165  and name O    )   3.3 0.8 0.2 
assign (resid    88  and name HN   )(resid   130  and name O    )   2.3 0.5 0.2 
assign (resid    88  and name N    )(resid   130  and name O    )   3.3 0.8 0.2 
assign (resid    89  and name HN   )(resid   163  and name O    )   2.3 0.5 0.2 
assign (resid    89  and name N    )(resid   163  and name O    )   3.3 0.8 0.2 
assign (resid    90  and name HN   )(resid   128  and name O    )   2.3 0.5 0.2 
assign (resid    90  and name N    )(resid   128  and name O    )   3.3 0.8 0.2 
assign (resid    92  and name HN   )(resid   126  and name O    )   2.3 0.5 0.2 
assign (resid    92  and name N    )(resid   126  and name O    )   3.3 0.8 0.2 
assign (resid    93  and name HN   )(resid   158  and name O    )   2.3 0.5 0.2 
assign (resid    93  and name N    )(resid   158  and name O    )   3.3 0.8 0.2 
assign (resid    94  and name HN   )(resid   122  and name O    )   2.3 0.5 0.2 
assign (resid    94  and name N    )(resid   122  and name O    )   3.3 0.8 0.2 
assign (resid    95  and name HN   )(resid   156  and name O    )   2.3 0.5 0.2 
assign (resid    95  and name N    )(resid   156  and name O    )   3.3 0.8 0.2 
assign (resid   100  and name HN   )(resid   151  and name O    )   2.3 0.5 0.2 
assign (resid   100  and name N    )(resid   151  and name O    )   3.3 0.8 0.2 
assign (resid   101  and name HN   )(resid   119  and name O    )   2.3 0.5 0.2 
assign (resid   101  and name N    )(resid   119  and name O    )   3.3 0.8 0.2 
assign (resid   102  and name HN   )(resid   146  and name O    )   2.3 0.5 0.2 
assign (resid   102  and name N    )(resid   146  and name O    )   3.3 0.8 0.2 
assign (resid   103  and name HN   )(resid   116  and name O    )   2.3 0.5 0.2 
assign (resid   103  and name N    )(resid   116  and name O    )   3.3 0.8 0.2 
assign (resid   104  and name HN   )(resid   144  and name O    )   2.3 0.5 0.2 
assign (resid   104  and name N    )(resid   144  and name O    )   3.3 0.8 0.2 
assign (resid   105  and name HN   )(resid   114  and name O    )   2.3 0.5 0.2 
assign (resid   105  and name N    )(resid   114  and name O    )   3.3 0.8 0.2 
assign (resid   106  and name HN   )(resid   142  and name O    )   2.3 0.5 0.2 
assign (resid   106  and name N    )(resid   142  and name O    )   3.3 0.8 0.2 
assign (resid   116  and name HN   )(resid   103  and name O    )   2.3 0.5 0.2 
assign (resid   116  and name N    )(resid   103  and name O    )   3.3 0.8 0.2 
assign (resid   118  and name HN   )(resid   101  and name O    )   2.3 0.5 0.2 
assign (resid   118  and name N    )(resid   101  and name O    )   3.3 0.8 0.2 
assign (resid   126  and name HN   )(resid    92  and name O    )   2.3 0.5 0.2 
assign (resid   126  and name N    )(resid    92  and name O    )   3.3 0.8 0.2 
assign (resid   128  and name HN   )(resid    90  and name O    )   2.3 0.5 0.2 
assign (resid   128  and name N    )(resid    90  and name O    )   3.3 0.8 0.2 
assign (resid   130  and name HN   )(resid    88  and name O    )   2.3 0.5 0.2 
assign (resid   130  and name N    )(resid    88  and name O    )   3.3 0.8 0.2 
assign (resid   141  and name HN   )(resid    78  and name O    )   2.3 0.5 0.2 
assign (resid   141  and name N    )(resid    78  and name O    )   3.3 0.8 0.2 
assign (resid   142  and name HN   )(resid   106  and name O    )   2.3 0.5 0.2 
assign (resid   142  and name N    )(resid   106  and name O    )   3.3 0.8 0.2 
assign (resid   143  and name HN   )(resid    75  and name O    )   2.3 0.5 0.2 
assign (resid   143  and name N    )(resid    75  and name O    )   3.3 0.8 0.2 
assign (resid   145  and name HN   )(resid    73  and name O    )   2.3 0.5 0.2 
assign (resid   145  and name N    )(resid    73  and name O    )   3.3 0.8 0.2 
assign (resid   146  and name HN   )(resid   102  and name O    )   2.3 0.5 0.2 
assign (resid   146  and name N    )(resid   102  and name O    )   3.3 0.8 0.2 
assign (resid   147  and name HN   )(resid    71  and name O    )   2.3 0.5 0.2 
assign (resid   147  and name N    )(resid    71  and name O    )   3.3 0.8 0.2 
assign (resid   155  and name HN   )(resid    61  and name O    )   2.3 0.5 0.2 
assign (resid   155  and name N    )(resid    61  and name O    )   3.3 0.8 0.2 
assign (resid   157  and name HN   )(resid    59  and name O    )   2.3 0.5 0.2 
assign (resid   157  and name N    )(resid    59  and name O    )   3.3 0.8 0.2 
assign (resid   158  and name HN   )(resid    93  and name O    )   2.3 0.5 0.2 
assign (resid   158  and name N    )(resid    93  and name O    )   3.3 0.8 0.2 
assign (resid   159  and name HN   )(resid    57  and name O    )   2.3 0.5 0.2 
assign (resid   159  and name N    )(resid    57  and name O    )   3.3 0.8 0.2 
assign (resid   160  and name HN   )(resid    91  and name O    )   2.3 0.5 0.2 
assign (resid   160  and name N    )(resid    91  and name O    )   3.3 0.8 0.2 
assign (resid   163  and name HN   )(resid    89  and name O    )   2.3 0.5 0.2 
assign (resid   163  and name N    )(resid    89  and name O    )   3.3 0.8 0.2 
assign (resid     4  and name HN   )(resid   164  and name O    )   2.3 0.5 0.2 
assign (resid     4  and name N    )(resid   164  and name O    )   3.3 0.8 0.2 
assign (resid    18  and name HN   )(resid    42  and name O    )   2.3 0.5 0.2 
assign (resid    18  and name N    )(resid    42  and name O    )   3.3 0.8 0.2 
assign (resid    33  and name HN   )(resid    70  and name O    )   2.3 0.5 0.2 
assign (resid    33  and name N    )(resid    70  and name O    )   3.3 0.8 0.2 
assign (resid    36  and name HN   )(resid    33  and name O    )   2.3 0.5 0.2 
assign (resid    36  and name N    )(resid    33  and name O    )   3.3 0.8 0.2 
assign (resid    69  and name HN   )(resid    67  and name O    )   2.3 0.5 0.2 
assign (resid    69  and name N    )(resid    67  and name O    )   3.3 0.8 0.2 
assign (resid    79  and name HN   )(resid     4  and name O    )   2.3 0.5 0.2 
assign (resid    79  and name N    )(resid     4  and name O    )   3.3 0.8 0.2 
assign (resid    98  and name HN   )(resid   121  and name O    )   2.3 0.5 0.2 
assign (resid    98  and name N    )(resid   121  and name O    )   3.3 0.8 0.2 
assign (resid   107  and name HN   )(resid   111  and name O    )   2.3 0.5 0.2 
assign (resid   107  and name N    )(resid   111  and name O    )   3.3 0.8 0.2 
assign (resid   113  and name HN   )(resid   105  and name O    )   2.3 0.5 0.2 
assign (resid   113  and name N    )(resid   105  and name O    )   3.3 0.8 0.2 
assign (resid   165  and name HN   )(resid    87  and name O    )   2.3 0.5 0.2 
assign (resid   165  and name N    )(resid    87  and name O    )   3.3 0.8 0.2 

!cbm_dihedrals.tbl
!########## phi restraints from HNHA
! RESIDUE     A 4 , J=  4.77374
!
assign (resid    3  and name C)  (resid    4  and name N)
       (resid    4  and name CA) (resid    4  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     N 5 , J=  8.69239
!
assign (resid    4  and name C)  (resid    5  and name N)
       (resid    5  and name CA) (resid    5  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     I 6 , J=  13.596
!
assign (resid    5  and name C)  (resid    6  and name N)
       (resid    6  and name CA) (resid    6  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     N 7 , J=  6.11963
!
!residue  7  not included (averaging?)
!
! RESIDUE     F 10 , J=  5.66175
!
!residue  10  not included (averaging?)
!
! RESIDUE     E 11 , J=  2.86137
!
assign (resid   10  and name C)  (resid   11  and name N)
       (resid   11  and name CA) (resid   11  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     S 12 , J=  8.15305
!
assign (resid   11  and name C)  (resid   12  and name N)
       (resid   12  and name CA) (resid   12  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     T 13 , J=  7.74555
!
assign (resid   12  and name C)  (resid   13  and name N)
       (resid   13  and name CA) (resid   13  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     A 15 , J=  4.72889
!
assign (resid   14  and name C)  (resid   15  and name N)
       (resid   15  and name CA) (resid   15  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     V 17 , J=  4.46059
!
assign (resid   16  and name C)  (resid   17  and name N)
       (resid   17  and name CA) (resid   17  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     V 18 , J=  3.19734
!
assign (resid   17  and name C)  (resid   18  and name N)
       (resid   18  and name CA) (resid   18  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     T 19 , J=  11.0969
!
assign (resid   18  and name C)  (resid   19  and name N)
       (resid   19  and name CA) (resid   19  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     D 20 , J=  8.21905
!
assign (resid   19  and name C)  (resid   20  and name N)
       (resid   20  and name CA) (resid   20  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     L 21 , J=  3.08751
!
assign (resid   20  and name C)  (resid   21  and name N)
       (resid   21  and name CA) (resid   21  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     A 22 , J=  7.71926
!
assign (resid   21  and name C)  (resid   22  and name N)
       (resid   22  and name CA) (resid   22  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     E 23 , J=  8.75936
!
assign (resid   22  and name C)  (resid   23  and name N)
       (resid   23  and name CA) (resid   23  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     V 25 , J=  9.71751
!
assign (resid   24  and name C)  (resid   25  and name N)
       (resid   25  and name CA) (resid   25  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     W 28 , J=  8.31734
!
assign (resid   27  and name C)  (resid   28  and name N)
       (resid   28  and name CA) (resid   28  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     D 29 , J=  8.61496
!
assign (resid   28  and name C)  (resid   29  and name N)
       (resid   29  and name CA) (resid   29  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     N 31 , J=  9.37264
!
assign (resid   30  and name C)  (resid   31  and name N)
       (resid   31  and name CA) (resid   31  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 32 , J=  9.14176
!
assign (resid   31  and name C)  (resid   32  and name N)
       (resid   32  and name CA) (resid   32  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     S 35 , J=  5.89843
!
!residue  35  not included (averaging?)
!
! RESIDUE     V 36 , J=  6.8514
!
!residue  36  not included (averaging?)
!
! RESIDUE     T 37 , J=  7.58164
!
assign (resid   36  and name C)  (resid   37  and name N)
       (resid   37  and name CA) (resid   37  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     N 38 , J=  9.78903
!
assign (resid   37  and name C)  (resid   38  and name N)
       (resid   38  and name CA) (resid   38  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 41 , J=  9.7186
!
assign (resid   40  and name C)  (resid   41  and name N)
       (resid   41  and name CA) (resid   41  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     F 42 , J=  8.5414
!
assign (resid   41  and name C)  (resid   42  and name N)
       (resid   42  and name CA) (resid   42  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     E 43 , J=  7.68186
!
assign (resid   42  and name C)  (resid   43  and name N)
       (resid   43  and name CA) (resid   43  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     V 44 , J=  9.10521
!
assign (resid   43  and name C)  (resid   44  and name N)
       (resid   44  and name CA) (resid   44  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     L 45 , J=  8.69281
!
assign (resid   44  and name C)  (resid   45  and name N)
       (resid   45  and name CA) (resid   45  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     E 46 , J=  7.22345
!
!residue  46  not included (averaging?)
!
! RESIDUE     T 47 , J=  8.71179
!
assign (resid   46  and name C)  (resid   47  and name N)
       (resid   47  and name CA) (resid   47  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     A 50 , J=  3.05032
!
assign (resid   49  and name C)  (resid   50  and name N)
       (resid   50  and name CA) (resid   50  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     E 52 , J=  10.6875
!
assign (resid   51  and name C)  (resid   52  and name N)
       (resid   52  and name CA) (resid   52  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     N 54 , J=  9.94407
!
assign (resid   53  and name C)  (resid   54  and name N)
       (resid   54  and name CA) (resid   54  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     K 55 , J=  9.29019
!
assign (resid   54  and name C)  (resid   55  and name N)
       (resid   55  and name CA) (resid   55  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 56 , J=  8.93159
!
assign (resid   55  and name C)  (resid   56  and name N)
       (resid   56  and name CA) (resid   56  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     L 57 , J=  9.6746
!
assign (resid   56  and name C)  (resid   57  and name N)
       (resid   57  and name CA) (resid   57  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     A 58 , J=  8.35474
!
assign (resid   57  and name C)  (resid   58  and name N)
       (resid   58  and name CA) (resid   58  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     V 59 , J=  8.19603
!
assign (resid   58  and name C)  (resid   59  and name N)
       (resid   59  and name CA) (resid   59  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     T 60 , J=  9.43191
!
assign (resid   59  and name C)  (resid   60  and name N)
       (resid   60  and name CA) (resid   60  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 61 , J=  8.37892
!MANUALLY REMOVED AS DISAGREES WITH TALOS AND IS PARTIALLY OVERLAPPED
!IN HNHA
!
!assign (resid   60  and name C)  (resid   61  and name N)
!       (resid   61  and name CA) (resid   61  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     N 62 , J=  10.5262
!
assign (resid   61  and name C)  (resid   62  and name N)
       (resid   62  and name CA) (resid   62  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 64 , J=  9.78544
!
assign (resid   63  and name C)  (resid   64  and name N)
       (resid   64  and name CA) (resid   64  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     W 69 , J=  7.40301
!
!residue  69  not included (averaging?)
!
! RESIDUE     D 70 , J=  6.29104
!
!residue  70  not included (averaging?)
!
! RESIDUE     I 71 , J=  7.79716
!
assign (resid   70  and name C)  (resid   71  and name N)
       (resid   71  and name CA) (resid   71  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     E 72 , J=  8.53419
!
assign (resid   71  and name C)  (resid   72  and name N)
       (resid   72  and name CA) (resid   72  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     T 74 , J=  9.24959
!
assign (resid   73  and name C)  (resid   74  and name N)
       (resid   74  and name CA) (resid   74  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     F 76 , J=  7.33955
!
!residue  76  not included (averaging?)
!
! RESIDUE     V 78 , J=  9.41047
!
assign (resid   77  and name C)  (resid   78  and name N)
       (resid   78  and name CA) (resid   78  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     N 79 , J=  8.77941
!
assign (resid   78  and name C)  (resid   79  and name N)
       (resid   79  and name CA) (resid   79  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     R 81 , J=  7.98821
!
assign (resid   80  and name C)  (resid   81  and name N)
       (resid   81  and name CA) (resid   81  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     V 84 , J=  7.98923
!
assign (resid   83  and name C)  (resid   84  and name N)
       (resid   84  and name CA) (resid   84  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     Y 86 , J=  10.8553
!
assign (resid   85  and name C)  (resid   86  and name N)
       (resid   86  and name CA) (resid   86  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     T 87 , J=  9.80988
!
assign (resid   86  and name C)  (resid   87  and name N)
       (resid   87  and name CA) (resid   87  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     I 90 , J=  8.15939
!
assign (resid   89  and name C)  (resid   90  and name N)
       (resid   90  and name CA) (resid   90  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     W 91 , J=  15.2351
!
assign (resid   90  and name C)  (resid   91  and name N)
       (resid   91  and name CA) (resid   91  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     A 92 , J=  8.2519
!
assign (resid   91  and name C)  (resid   92  and name N)
       (resid   92  and name CA) (resid   92  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     A 94 , J=  9.28423
!
assign (resid   93  and name C)  (resid   94  and name N)
       (resid   94  and name CA) (resid   94  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     E 95 , J=  4.62251
!
assign (resid   94  and name C)  (resid   95  and name N)
       (resid   95  and name CA) (resid   95  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     Q 96 , J=  10.3868
!
assign (resid   95  and name C)  (resid   96  and name N)
       (resid   96  and name CA) (resid   96  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     D 97 , J=  2.49923
!
assign (resid   96  and name C)  (resid   97  and name N)
       (resid   97  and name CA) (resid   97  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     A 99 , J=  7.13367
!
!residue  99  not included (averaging?)
!
! RESIDUE     V 100 , J=  6.91924
!
!residue  100  not included (averaging?)
!
! RESIDUE     V 101 , J=  7.1926
!
!residue  101  not included (averaging?)
!
! RESIDUE     S 102 , J=  10.3989
!
assign (resid  101  and name C)  (resid  102  and name N)
       (resid  102  and name CA) (resid  102  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     T 104 , J=  11.772
!
assign (resid  103  and name C)  (resid  104  and name N)
       (resid  104  and name CA) (resid  104  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 105 , J=  6.55207
!
!residue  105  not included (averaging?)
!
! RESIDUE     N 107 , J=  8.7032
!
assign (resid  106  and name C)  (resid  107  and name N)
       (resid  107  and name CA) (resid  107  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     S 109 , J=  9.90271
!
assign (resid  108  and name C)  (resid  109  and name N)
       (resid  109  and name CA) (resid  109  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     Q 111 , J=  8.7032
!
assign (resid  110  and name C)  (resid  111  and name N)
       (resid  111  and name CA) (resid  111  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     E 112 , J=  6.96587
!
!residue  112  not included (averaging?)
!
! RESIDUE     Y 113 , J=  8.47733
!
assign (resid  112  and name C)  (resid  113  and name N)
       (resid  113  and name CA) (resid  113  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     R 115 , J=  5.83587
!
!residue  115  not included (averaging?)
!
! RESIDUE     I 121 , J=  10.4359
!
assign (resid  120  and name C)  (resid  121  and name N)
       (resid  121  and name CA) (resid  121  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     T 122 , J=  8.31608
!
assign (resid  121  and name C)  (resid  122  and name N)
       (resid  122  and name CA) (resid  122  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     T 123 , J=  5.8843
!
!residue  123  not included (averaging?)
!
! RESIDUE     F 128 , J=  8.86439
!
assign (resid  127  and name C)  (resid  128  and name N)
       (resid  128  and name CA) (resid  128  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     T 129 , J=  9.08698
!
assign (resid  128  and name C)  (resid  129  and name N)
       (resid  129  and name CA) (resid  129  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     F 130 , J=  5.48083
!MANUALLY REMOVED (AND TALOS RESTAINTS) AS HNHA AND TALOS DISAGREE COMPLETELY
!BUT CAN'T SAY WHICH IS WRONG FOR DEFINITE!
!assign (resid  129  and name C)  (resid  130  and name N)
!       (resid  130  and name CA) (resid  130  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     E 131 , J=  9.79397
!
assign (resid  130  and name C)  (resid  131  and name N)
       (resid  131  and name CA) (resid  131  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     T 133 , J=  9.79608
!
assign (resid  132  and name C)  (resid  133  and name N)
       (resid  133  and name CA) (resid  133  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 134 , J=  8.21178
!MANUALLY DELETED NEXT RESTRAINT AS DISAGREES WITH TALOS AND IS PARTIALLY
!OVERLAPPED IN HNHA
!assign (resid  133  and name C)  (resid  134  and name N)
!       (resid  134  and name CA) (resid  134  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     S 135 , J=  6.83797
!
!residue  135  not included (averaging?)
!
! RESIDUE     D 136 , J=  8.29728
!
assign (resid  135  and name C)  (resid  136  and name N)
       (resid  136  and name CA) (resid  136  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     E 138 , J=  7.60071
!
assign (resid  137  and name C)  (resid  138  and name N)
       (resid  138  and name CA) (resid  138  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     T 139 , J=  9.3983
!
assign (resid  138  and name C)  (resid  139  and name N)
       (resid  139  and name CA) (resid  139  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     V 140 , J=  7.63334
!
assign (resid  139  and name C)  (resid  140  and name N)
       (resid  140  and name CA) (resid  140  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     I 141 , J=  9.20406
!
assign (resid  140  and name C)  (resid  141  and name N)
       (resid  141  and name CA) (resid  141  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     A 143 , J=  9.31394
!
assign (resid  142  and name C)  (resid  143  and name N)
       (resid  143  and name CA) (resid  143  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     I 145 , J=  7.18197
!
!residue  145  not included (averaging?)
!
! RESIDUE     H 146 , J=  10.402
!
assign (resid  145  and name C)  (resid  146  and name N)
       (resid  146  and name CA) (resid  146  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     F 147 , J=  8.26953
!
assign (resid  146  and name C)  (resid  147  and name N)
       (resid  147  and name CA) (resid  147  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     Y 149 , J=  7.78104
!
assign (resid  148  and name C)  (resid  149  and name N)
       (resid  149  and name CA) (resid  149  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     N 152 , J=  7.2217
!
!residue  152  not included (averaging?)
!
! RESIDUE     V 153 , J=  5.24667
!
assign (resid  152  and name C)  (resid  153  and name N)
       (resid  153  and name CA) (resid  153  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     N 155 , J=  10.9501
!
assign (resid  154  and name C)  (resid  155  and name N)
       (resid  155  and name CA) (resid  155  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     I 157 , J=  11.9348
!
assign (resid  156  and name C)  (resid  157  and name N)
       (resid  157  and name CA) (resid  157  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     Y 158 , J=  8.84435
!
assign (resid  157  and name C)  (resid  158  and name N)
       (resid  158  and name CA) (resid  158  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     I 159 , J=  8.41132
!
assign (resid  158  and name C)  (resid  159  and name N)
       (resid  159  and name CA) (resid  159  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     D 160 , J=  6.39146
!
!residue  160  not included (averaging?)
!
! RESIDUE     L 162 , J=  4.84008
!
assign (resid  161  and name C)  (resid  162  and name N)
       (resid  162  and name CA) (resid  162  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     A 163 , J=  8.55758
!
assign (resid  162  and name C)  (resid  163  and name N)
       (resid  163  and name CA) (resid  163  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     I 164 , J=  7.86643
!
assign (resid  163  and name C)  (resid  164  and name N)
       (resid  164  and name CA) (resid  164  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     A 165 , J=  7.39013
!
!residue  165  not included (averaging?)
!
! RESIDUE     L 170 , J=  7.02389
!
!residue  170  not included (averaging?)
!
! RESIDUE     A 171 , J=  6.54863
!
!residue  171  not included (averaging?)
!
! RESIDUE     E 173 , J=  7.27931
!
!residue  173  not included (averaging?)
!
! RESIDUE     E 176 , J=  7.4266
!
!residue  176  not included (averaging?)
!
! RESIDUE     D 177 , J=  7.43341
!
!residue  177  not included (averaging?)
!
! RESIDUE     V 178 , J=  6.69644
!
!residue  178  not included (averaging?)
!
! RESIDUE     E 179 , J=  6.5474
!
!residue  179  not included (averaging?)
!
!the following dihedral restraints were added (08/05/01) following the anaylsis of the 02/05/01 structure with procheck
assign (resid  1  and name C)  (resid  2  and name N)
       (resid  2  and name CA) (resid  2  and name C)  1.0 -90.0 90.0 2 
assign (resid  33  and name C)  (resid  34  and name N)
       (resid  34  and name CA) (resid  34  and name C)  1.0 -90.0 90.0 2 
assign (resid  47  and name C)  (resid  48  and name N)
       (resid  48  and name CA) (resid  48  and name C)  1.0 -90.0 90.0 2 
assign (resid  48  and name C)  (resid  49  and name N)
       (resid  49  and name CA) (resid  49  and name C)  1.0 -90.0 90.0 2 
assign (resid  68  and name C)  (resid  69  and name N)
       (resid  69  and name CA) (resid  69  and name C)  1.0 -130.0 90.0 2
!the following dihedral restraints were added (18/05/01) following the anaylsis of the 14/05/01 structure
! with procheck 
assign (resid  107  and name C)  (resid  108  and name N)
       (resid  108  and name CA) (resid  108  and name C)  1.0 -65.0 16.0 2
assign (resid  66  and name C)  (resid  67  and name N)
       (resid  67  and name CA) (resid  67  and name C)  1.0 -90.0 90.0 2
assign (resid  65  and name C)  (resid  66  and name N)
       (resid  66  and name CA) (resid  66  and name C)  1.0 -72.0 24.0 2
!the following dihedral restraints were added (01/06/01) following the anaylsis
! of the 31/05/01 structure with procheck and a comparison with talos
assign (resid   46  and name C)  (resid   47  and name N)
       (resid   47  and name CA) (resid   47  and name C)  1.0 -106.0 38.0 2
assign (resid   47  and name C)  (resid   48  and name N)
       (resid   48  and name CA) (resid   48  and name C)  1.0 -85.0 38.0 2

!cbm_talos_loose.tbl
!#### restraints from TALOS (2*sd error limits)
assign (resid  5 and name c ) (resid  6 and name n ) 
 (resid  6 and name ca ) (resid  6 and name c ) 1.0   -96 32  2 ! 6 -96 32
assign (resid  6 and name n ) (resid  6 and name ca ) 
 (resid  6 and name c ) (resid  7 and name n ) 1.0   127 28  2 ! 6 127 28
assign (resid  10 and name c ) (resid  11 and name n ) 
 (resid  11 and name ca ) (resid  11 and name c ) 1.0   -64 20  2 ! 11 -64 20
assign (resid  11 and name n ) (resid  11 and name ca ) 
 (resid  11 and name c ) (resid  12 and name n ) 1.0   -44 16  2 ! 11 -44 16
assign (resid  16 and name c ) (resid  17 and name n ) 
 (resid  17 and name ca ) (resid  17 and name c ) 1.0   -90 32  2 ! 17 -90 32
assign (resid  17 and name n ) (resid  17 and name ca ) 
 (resid  17 and name c ) (resid  18 and name n ) 1.0   122 24  2 ! 17 122 24
assign (resid  21 and name c ) (resid  22 and name n ) 
 (resid  22 and name ca ) (resid  22 and name c ) 1.0   -79 34  2 ! 22 -79 34
assign (resid  22 and name n ) (resid  22 and name ca ) 
 (resid  22 and name c ) (resid  23 and name n ) 1.0   -25 32  2 ! 22 -25 32
assign (resid  27 and name c ) (resid  28 and name n ) 
 (resid  28 and name ca ) (resid  28 and name c ) 1.0   -135 20  2 ! 28 -135 20
assign (resid  28 and name n ) (resid  28 and name ca ) 
 (resid  28 and name c ) (resid  29 and name n ) 1.0   146 26  2 ! 28 146 26
assign (resid  28 and name c ) (resid  29 and name n ) 
 (resid  29 and name ca ) (resid  29 and name c ) 1.0   -96 40  2 ! 29 -96 40
assign (resid  29 and name n ) (resid  29 and name ca ) 
 (resid  29 and name c ) (resid  30 and name n ) 1.0   126 18  2 ! 29 126 18
assign (resid  29 and name c ) (resid  30 and name n ) 
 (resid  30 and name ca ) (resid  30 and name c ) 1.0   -101 28  2 ! 30 -101 28
assign (resid  30 and name n ) (resid  30 and name ca ) 
 (resid  30 and name c ) (resid  31 and name n ) 1.0   141 36  2 ! 30 141 36
assign (resid  31 and name c ) (resid  32 and name n ) 
 (resid  32 and name ca ) (resid  32 and name c ) 1.0   -126 30  2 ! 32 -126 30
assign (resid  32 and name n ) (resid  32 and name ca ) 
 (resid  32 and name c ) (resid  33 and name n ) 1.0   131 26  2 ! 32 131 26
assign (resid  34 and name c ) (resid  35 and name n ) 
 (resid  35 and name ca ) (resid  35 and name c ) 1.0   -72 26  2 ! 35 -72 26
assign (resid  35 and name n ) (resid  35 and name ca ) 
 (resid  35 and name c ) (resid  36 and name n ) 1.0   -26 30  2 ! 35 -26 30
assign (resid  37 and name c ) (resid  38 and name n ) 
 (resid  38 and name ca ) (resid  38 and name c ) 1.0   -118 52  2 ! 38 -118 52
assign (resid  38 and name n ) (resid  38 and name ca ) 
 (resid  38 and name c ) (resid  39 and name n ) 1.0   145 60  2 ! 38 145 60
assign (resid  40 and name c ) (resid  41 and name n ) 
 (resid  41 and name ca ) (resid  41 and name c ) 1.0   -108 64  2 ! 41 -108 64
assign (resid  41 and name n ) (resid  41 and name ca ) 
 (resid  41 and name c ) (resid  42 and name n ) 1.0   135 24  2 ! 41 135 24
assign (resid  41 and name c ) (resid  42 and name n ) 
 (resid  42 and name ca ) (resid  42 and name c ) 1.0   -107 38  2 ! 42 -107 38
assign (resid  42 and name n ) (resid  42 and name ca ) 
 (resid  42 and name c ) (resid  43 and name n ) 1.0   128 14  2 ! 42 128 14
assign (resid  42 and name c ) (resid  43 and name n ) 
 (resid  43 and name ca ) (resid  43 and name c ) 1.0   -117 42  2 ! 43 -117 42
assign (resid  43 and name n ) (resid  43 and name ca ) 
 (resid  43 and name c ) (resid  44 and name n ) 1.0   134 34  2 ! 43 134 34
assign (resid  43 and name c ) (resid  44 and name n ) 
 (resid  44 and name ca ) (resid  44 and name c ) 1.0   -98 30  2 ! 44 -98 30
assign (resid  44 and name n ) (resid  44 and name ca ) 
 (resid  44 and name c ) (resid  45 and name n ) 1.0   126 22  2 ! 44 126 22
assign (resid  44 and name c ) (resid  45 and name n ) 
 (resid  45 and name ca ) (resid  45 and name c ) 1.0   -114 36  2 ! 45 -114 36
assign (resid  45 and name n ) (resid  45 and name ca ) 
 (resid  45 and name c ) (resid  46 and name n ) 1.0   138 24  2 ! 45 138 24
assign (resid  45 and name c ) (resid  46 and name n ) 
 (resid  46 and name ca ) (resid  46 and name c ) 1.0   -101 32  2 ! 46 -101 32
assign (resid  46 and name n ) (resid  46 and name ca ) 
 (resid  46 and name c ) (resid  47 and name n ) 1.0   121 10  2 ! 46 121 10
assign (resid  54 and name c ) (resid  55 and name n ) 
 (resid  55 and name ca ) (resid  55 and name c ) 1.0   -132 32  2 ! 55 -132 32
assign (resid  55 and name n ) (resid  55 and name ca ) 
 (resid  55 and name c ) (resid  56 and name n ) 1.0   151 32  2 ! 55 151 32
assign (resid  55 and name c ) (resid  56 and name n ) 
 (resid  56 and name ca ) (resid  56 and name c ) 1.0   -124 26  2 ! 56 -124 26
assign (resid  56 and name n ) (resid  56 and name ca ) 
 (resid  56 and name c ) (resid  57 and name n ) 1.0   150 24  2 ! 56 150 24
assign (resid  56 and name c ) (resid  57 and name n ) 
 (resid  57 and name ca ) (resid  57 and name c ) 1.0   -100 34  2 ! 57 -100 34
assign (resid  57 and name n ) (resid  57 and name ca ) 
 (resid  57 and name c ) (resid  58 and name n ) 1.0   128 32  2 ! 57 128 32
assign (resid  57 and name c ) (resid  58 and name n ) 
 (resid  58 and name ca ) (resid  58 and name c ) 1.0   -116 34  2 ! 58 -116 34
assign (resid  58 and name n ) (resid  58 and name ca ) 
 (resid  58 and name c ) (resid  59 and name n ) 1.0   134 20  2 ! 58 134 20
assign (resid  58 and name c ) (resid  59 and name n ) 
 (resid  59 and name ca ) (resid  59 and name c ) 1.0   -113 24  2 ! 59 -113 24
assign (resid  59 and name n ) (resid  59 and name ca ) 
 (resid  59 and name c ) (resid  60 and name n ) 1.0   123 20  2 ! 59 123 20
assign (resid  59 and name c ) (resid  60 and name n ) 
 (resid  60 and name ca ) (resid  60 and name c ) 1.0   -112 38  2 ! 60 -112 38
assign (resid  60 and name n ) (resid  60 and name ca ) 
 (resid  60 and name c ) (resid  61 and name n ) 1.0   120 36  2 ! 60 120 36
assign (resid  60 and name c ) (resid  61 and name n ) 
 (resid  61 and name ca ) (resid  61 and name c ) 1.0   -79 54  2 ! 61 -79 54
assign (resid  61 and name n ) (resid  61 and name ca ) 
 (resid  61 and name c ) (resid  62 and name n ) 1.0   131 20  2 ! 61 131 20
assign (resid  71 and name c ) (resid  72 and name n ) 
 (resid  72 and name ca ) (resid  72 and name c ) 1.0   -130 36  2 ! 72 -130 36
assign (resid  72 and name n ) (resid  72 and name ca ) 
 (resid  72 and name c ) (resid  73 and name n ) 1.0   139 28  2 ! 72 139 28
assign (resid  72 and name c ) (resid  73 and name n ) 
 (resid  73 and name ca ) (resid  73 and name c ) 1.0   -138 24  2 ! 73 -138 24
assign (resid  73 and name n ) (resid  73 and name ca ) 
 (resid  73 and name c ) (resid  74 and name n ) 1.0   133 24  2 ! 73 133 24
assign (resid  74 and name c ) (resid  75 and name n ) 
 (resid  75 and name ca ) (resid  75 and name c ) 1.0   -94 46  2 ! 75 -94 46
assign (resid  75 and name n ) (resid  75 and name ca ) 
 (resid  75 and name c ) (resid  76 and name n ) 1.0   128 28  2 ! 75 128 28
assign (resid  77 and name c ) (resid  78 and name n ) 
 (resid  78 and name ca ) (resid  78 and name c ) 1.0   -90 42  2 ! 78 -90 42
assign (resid  78 and name n ) (resid  78 and name ca ) 
 (resid  78 and name c ) (resid  79 and name n ) 1.0   126 30  2 ! 78 126 30
assign (resid  79 and name c ) (resid  80 and name n ) 
 (resid  80 and name ca ) (resid  80 and name c ) 1.0   -131 22  2 ! 80 -131 22
assign (resid  80 and name n ) (resid  80 and name ca ) 
 (resid  80 and name c ) (resid  81 and name n ) 1.0   160 26  2 ! 80 160 26
assign (resid  80 and name c ) (resid  81 and name n ) 
 (resid  81 and name ca ) (resid  81 and name c ) 1.0   -121 60  2 ! 81 -121 60
assign (resid  81 and name n ) (resid  81 and name ca ) 
 (resid  81 and name c ) (resid  82 and name n ) 1.0   143 38  2 ! 81 143 38
assign (resid  83 and name c ) (resid  84 and name n ) 
 (resid  84 and name ca ) (resid  84 and name c ) 1.0   -93 24  2 ! 84 -93 24
assign (resid  84 and name n ) (resid  84 and name ca ) 
 (resid  84 and name c ) (resid  85 and name n ) 1.0   126 20  2 ! 84 126 20
assign (resid  85 and name c ) (resid  86 and name n ) 
 (resid  86 and name ca ) (resid  86 and name c ) 1.0   -117 36  2 ! 86 -117 36
assign (resid  86 and name n ) (resid  86 and name ca ) 
 (resid  86 and name c ) (resid  87 and name n ) 1.0   146 26  2 ! 86 146 26
assign (resid  86 and name c ) (resid  87 and name n ) 
 (resid  87 and name ca ) (resid  87 and name c ) 1.0   -94 24  2 ! 87 -94 24
assign (resid  87 and name n ) (resid  87 and name ca ) 
 (resid  87 and name c ) (resid  88 and name n ) 1.0   124 30  2 ! 87 124 30
assign (resid  87 and name c ) (resid  88 and name n ) 
 (resid  88 and name ca ) (resid  88 and name c ) 1.0   -106 28  2 ! 88 -106 28
assign (resid  88 and name n ) (resid  88 and name ca ) 
 (resid  88 and name c ) (resid  89 and name n ) 1.0   125 20  2 ! 88 125 20
assign (resid  88 and name c ) (resid  89 and name n ) 
 (resid  89 and name ca ) (resid  89 and name c ) 1.0   -109 26  2 ! 89 -109 26
assign (resid  89 and name n ) (resid  89 and name ca ) 
 (resid  89 and name c ) (resid  90 and name n ) 1.0   131 22  2 ! 89 131 22
assign (resid  89 and name c ) (resid  90 and name n ) 
 (resid  90 and name ca ) (resid  90 and name c ) 1.0   -123 26  2 ! 90 -123 26
assign (resid  90 and name n ) (resid  90 and name ca ) 
 (resid  90 and name c ) (resid  91 and name n ) 1.0   139 24  2 ! 90 139 24
assign (resid  90 and name c ) (resid  91 and name n ) 
 (resid  91 and name ca ) (resid  91 and name c ) 1.0   -110 44  2 ! 91 -110 44
assign (resid  91 and name n ) (resid  91 and name ca ) 
 (resid  91 and name c ) (resid  92 and name n ) 1.0   147 22  2 ! 91 147 22
assign (resid  91 and name c ) (resid  92 and name n ) 
 (resid  92 and name ca ) (resid  92 and name c ) 1.0   -131 38  2 ! 92 -131 38
assign (resid  92 and name n ) (resid  92 and name ca ) 
 (resid  92 and name c ) (resid  93 and name n ) 1.0   154 24  2 ! 92 154 24
assign (resid  92 and name c ) (resid  93 and name n ) 
 (resid  93 and name ca ) (resid  93 and name c ) 1.0   -128 36  2 ! 93 -128 36
assign (resid  93 and name n ) (resid  93 and name ca ) 
 (resid  93 and name c ) (resid  94 and name n ) 1.0   147 32  2 ! 93 147 32
assign (resid  93 and name c ) (resid  94 and name n ) 
 (resid  94 and name ca ) (resid  94 and name c ) 1.0   -122 30  2 ! 94 -122 30
assign (resid  94 and name n ) (resid  94 and name ca ) 
 (resid  94 and name c ) (resid  95 and name n ) 1.0   150 20  2 ! 94 150 20
assign (resid  99 and name c ) (resid  100 and name n ) 
 (resid  100 and name ca ) (resid  100 and name c ) 1.0   -124 46  2 ! 100 -124 46
assign (resid  100 and name n ) (resid  100 and name ca ) 
 (resid  100 and name c ) (resid  101 and name n ) 1.0   140 22  2 ! 100 140 22
assign (resid  100 and name c ) (resid  101 and name n ) 
 (resid  101 and name ca ) (resid  101 and name c ) 1.0   -131 24  2 ! 101 -131 24
assign (resid  101 and name n ) (resid  101 and name ca ) 
 (resid  101 and name c ) (resid  102 and name n ) 1.0   149 18  2 ! 101 149 18
assign (resid  101 and name c ) (resid  102 and name n ) 
 (resid  102 and name ca ) (resid  102 and name c ) 1.0   -99 42  2 ! 102 -99 42
assign (resid  102 and name n ) (resid  102 and name ca ) 
 (resid  102 and name c ) (resid  103 and name n ) 1.0   128 28  2 ! 102 128 28
assign (resid  102 and name c ) (resid  103 and name n ) 
 (resid  103 and name ca ) (resid  103 and name c ) 1.0   -102 58  2 ! 103 -102 58
assign (resid  103 and name n ) (resid  103 and name ca ) 
 (resid  103 and name c ) (resid  104 and name n ) 1.0   129 24  2 ! 103 129 24
assign (resid  103 and name c ) (resid  104 and name n ) 
 (resid  104 and name ca ) (resid  104 and name c ) 1.0   -117 34  2 ! 104 -117 34
assign (resid  104 and name n ) (resid  104 and name ca ) 
 (resid  104 and name c ) (resid  105 and name n ) 1.0   159 26  2 ! 104 159 26
assign (resid  104 and name c ) (resid  105 and name n ) 
 (resid  105 and name ca ) (resid  105 and name c ) 1.0   -125 22  2 ! 105 -125 22
assign (resid  105 and name n ) (resid  105 and name ca ) 
 (resid  105 and name c ) (resid  106 and name n ) 1.0   143 36  2 ! 105 143 36
assign (resid  108 and name c ) (resid  109 and name n ) 
 (resid  109 and name ca ) (resid  109 and name c ) 1.0   -73 40  2 ! 109 -73 40
assign (resid  109 and name n ) (resid  109 and name ca ) 
 (resid  109 and name c ) (resid  110 and name n ) 1.0   -22 42  2 ! 109 -22 42
assign (resid  111 and name c ) (resid  112 and name n ) 
 (resid  112 and name ca ) (resid  112 and name c ) 1.0   -104 34  2 ! 112 -104 34
assign (resid  112 and name n ) (resid  112 and name ca ) 
 (resid  112 and name c ) (resid  113 and name n ) 1.0   134 32  2 ! 112 134 32
assign (resid  115 and name c ) (resid  116 and name n ) 
 (resid  116 and name ca ) (resid  116 and name c ) 1.0   -103 48  2 ! 116 -103 48
assign (resid  116 and name n ) (resid  116 and name ca ) 
 (resid  116 and name c ) (resid  117 and name n ) 1.0   116 46  2 ! 116 116 46
assign (resid  119 and name c ) (resid  120 and name n ) 
 (resid  120 and name ca ) (resid  120 and name c ) 1.0   -96 36  2 ! 120 -96 36
assign (resid  120 and name n ) (resid  120 and name ca ) 
 (resid  120 and name c ) (resid  121 and name n ) 1.0   128 28  2 ! 120 128 28
assign (resid  120 and name c ) (resid  121 and name n ) 
 (resid  121 and name ca ) (resid  121 and name c ) 1.0   -100 46  2 ! 121 -100 46
assign (resid  121 and name n ) (resid  121 and name ca ) 
 (resid  121 and name c ) (resid  122 and name n ) 1.0   128 28  2 ! 121 128 28
assign (resid  121 and name c ) (resid  122 and name n ) 
 (resid  122 and name ca ) (resid  122 and name c ) 1.0   -114 44  2 ! 122 -114 44
assign (resid  122 and name n ) (resid  122 and name ca ) 
 (resid  122 and name c ) (resid  123 and name n ) 1.0   158 22  2 ! 122 158 22
assign (resid  122 and name c ) (resid  123 and name n ) 
 (resid  123 and name ca ) (resid  123 and name c ) 1.0   -110 62  2 ! 123 -110 62
!assign (resid  123 and name n ) (resid  123 and name ca ) 
! (resid  123 and name c ) (resid  124 and name n ) 1.0   143 30  2 ! 123 143 30
assign (resid  123 and name c ) (resid  124 and name n ) 
 (resid  124 and name ca ) (resid  124 and name c ) 1.0   -127 50  2 ! 124 -127 50
assign (resid  124 and name n ) (resid  124 and name ca ) 
 (resid  124 and name c ) (resid  125 and name n ) 1.0   159 32  2 ! 124 159 32
assign (resid  125 and name c ) (resid  126 and name n ) 
 (resid  126 and name ca ) (resid  126 and name c ) 1.0   -129 22  2 ! 126 -129 22
assign (resid  126 and name n ) (resid  126 and name ca ) 
 (resid  126 and name c ) (resid  127 and name n ) 1.0   146 24  2 ! 126 146 24
assign (resid  126 and name c ) (resid  127 and name n ) 
 (resid  127 and name ca ) (resid  127 and name c ) 1.0   -79 46  2 ! 127 -79 46
assign (resid  127 and name n ) (resid  127 and name ca ) 
 (resid  127 and name c ) (resid  128 and name n ) 1.0   132 52  2 ! 127 132 52
assign (resid  127 and name c ) (resid  128 and name n ) 
 (resid  128 and name ca ) (resid  128 and name c ) 1.0   -109 60  2 ! 128 -109 60
assign (resid  128 and name n ) (resid  128 and name ca ) 
 (resid  128 and name c ) (resid  129 and name n ) 1.0   141 26  2 ! 128 141 26
assign (resid  128 and name c ) (resid  129 and name n ) 
 (resid  129 and name ca ) (resid  129 and name c ) 1.0   -117 34  2 ! 129 -117 34
assign (resid  129 and name n ) (resid  129 and name ca ) 
 (resid  129 and name c ) (resid  130 and name n ) 1.0   148 26  2 ! 129 148 26
!NEXT RESIDUE RESTRAINTS REMOVED AS DISAGREE WITH HNHA
!assign (resid  129 and name c ) (resid  130 and name n ) 
! (resid  130 and name ca ) (resid  130 and name c ) 1.0   -127 36  2 ! 130 -127 36
!assign (resid  130 and name n ) (resid  130 and name ca ) 
! (resid  130 and name c ) (resid  131 and name n ) 1.0   142 30  2 ! 130 142 30
assign (resid  130 and name c ) (resid  131 and name n ) 
 (resid  131 and name ca ) (resid  131 and name c ) 1.0   -130 28  2 ! 131 -130 28
assign (resid  131 and name n ) (resid  131 and name ca ) 
 (resid  131 and name c ) (resid  132 and name n ) 1.0   155 16  2 ! 131 155 16
assign (resid  131 and name c ) (resid  132 and name n ) 
 (resid  132 and name ca ) (resid  132 and name c ) 1.0   -133 32  2 ! 132 -133 32
assign (resid  132 and name n ) (resid  132 and name ca ) 
 (resid  132 and name c ) (resid  133 and name n ) 1.0   140 28  2 ! 132 140 28
assign (resid  132 and name c ) (resid  133 and name n ) 
 (resid  133 and name ca ) (resid  133 and name c ) 1.0   -117 34  2 ! 133 -117 34
assign (resid  133 and name n ) (resid  133 and name ca ) 
 (resid  133 and name c ) (resid  134 and name n ) 1.0   128 18  2 ! 133 128 18
assign (resid  133 and name c ) (resid  134 and name n ) 
 (resid  134 and name ca ) (resid  134 and name c ) 1.0   -74 46  2 ! 134 -74 46
assign (resid  134 and name n ) (resid  134 and name ca ) 
 (resid  134 and name c ) (resid  135 and name n ) 1.0   131 20  2 ! 134 131 20
assign (resid  139 and name c ) (resid  140 and name n ) 
 (resid  140 and name ca ) (resid  140 and name c ) 1.0   -111 30  2 ! 140 -111 30
assign (resid  140 and name n ) (resid  140 and name ca ) 
 (resid  140 and name c ) (resid  141 and name n ) 1.0   129 36  2 ! 140 129 36
assign (resid  140 and name c ) (resid  141 and name n ) 
 (resid  141 and name ca ) (resid  141 and name c ) 1.0   -117 30  2 ! 141 -117 30
assign (resid  141 and name n ) (resid  141 and name ca ) 
 (resid  141 and name c ) (resid  142 and name n ) 1.0   143 28  2 ! 141 143 28
assign (resid  141 and name c ) (resid  142 and name n ) 
 (resid  142 and name ca ) (resid  142 and name c ) 1.0   -130 38  2 ! 142 -130 38
assign (resid  142 and name n ) (resid  142 and name ca ) 
 (resid  142 and name c ) (resid  143 and name n ) 1.0   154 20  2 ! 142 154 20
assign (resid  142 and name c ) (resid  143 and name n ) 
 (resid  143 and name ca ) (resid  143 and name c ) 1.0   -127 34  2 ! 143 -127 34
assign (resid  143 and name n ) (resid  143 and name ca ) 
 (resid  143 and name c ) (resid  144 and name n ) 1.0   142 34  2 ! 143 142 34
assign (resid  143 and name c ) (resid  144 and name n ) 
 (resid  144 and name ca ) (resid  144 and name c ) 1.0   -80 38  2 ! 144 -80 38
assign (resid  144 and name n ) (resid  144 and name ca ) 
 (resid  144 and name c ) (resid  145 and name n ) 1.0   135 24  2 ! 144 135 24
assign (resid  144 and name c ) (resid  145 and name n ) 
 (resid  145 and name ca ) (resid  145 and name c ) 1.0   -106 28  2 ! 145 -106 28
assign (resid  145 and name n ) (resid  145 and name ca ) 
 (resid  145 and name c ) (resid  146 and name n ) 1.0   127 18  2 ! 145 127 18
assign (resid  145 and name c ) (resid  146 and name n ) 
 (resid  146 and name ca ) (resid  146 and name c ) 1.0   -117 32  2 ! 146 -117 32
assign (resid  146 and name n ) (resid  146 and name ca ) 
 (resid  146 and name c ) (resid  147 and name n ) 1.0   152 40  2 ! 146 152 40
assign (resid  146 and name c ) (resid  147 and name n ) 
 (resid  147 and name ca ) (resid  147 and name c ) 1.0   -120 42  2 ! 147 -120 42
assign (resid  147 and name n ) (resid  147 and name ca ) 
 (resid  147 and name c ) (resid  148 and name n ) 1.0   148 42  2 ! 147 148 42
assign (resid  149 and name c ) (resid  150 and name n ) 
 (resid  150 and name ca ) (resid  150 and name c ) 1.0   -59 14  2 ! 150 -59 14
assign (resid  150 and name n ) (resid  150 and name ca ) 
 (resid  150 and name c ) (resid  151 and name n ) 1.0   -38 22  2 ! 150 -38 22
assign (resid  150 and name c ) (resid  151 and name n ) 
 (resid  151 and name ca ) (resid  151 and name c ) 1.0   -68 22  2 ! 151 -68 22
assign (resid  151 and name n ) (resid  151 and name ca ) 
 (resid  151 and name c ) (resid  152 and name n ) 1.0   -32 26  2 ! 151 -32 26
assign (resid  155 and name c ) (resid  156 and name n ) 
 (resid  156 and name ca ) (resid  156 and name c ) 1.0   -115 32  2 ! 156 -115 32
assign (resid  156 and name n ) (resid  156 and name ca ) 
 (resid  156 and name c ) (resid  157 and name n ) 1.0   132 28  2 ! 156 132 28
assign (resid  156 and name c ) (resid  157 and name n ) 
 (resid  157 and name ca ) (resid  157 and name c ) 1.0   -112 28  2 ! 157 -112 28
assign (resid  157 and name n ) (resid  157 and name ca ) 
 (resid  157 and name c ) (resid  158 and name n ) 1.0   130 20  2 ! 157 130 20
assign (resid  157 and name c ) (resid  158 and name n ) 
 (resid  158 and name ca ) (resid  158 and name c ) 1.0   -118 38  2 ! 158 -118 38
assign (resid  158 and name n ) (resid  158 and name ca ) 
 (resid  158 and name c ) (resid  159 and name n ) 1.0   143 30  2 ! 158 143 30
assign (resid  158 and name c ) (resid  159 and name n ) 
 (resid  159 and name ca ) (resid  159 and name c ) 1.0   -129 30  2 ! 159 -129 30
assign (resid  159 and name n ) (resid  159 and name ca ) 
 (resid  159 and name c ) (resid  160 and name n ) 1.0   152 16  2 ! 159 152 16
assign (resid  159 and name c ) (resid  160 and name n ) 
 (resid  160 and name ca ) (resid  160 and name c ) 1.0   -137 36  2 ! 160 -137 36
assign (resid  160 and name n ) (resid  160 and name ca ) 
 (resid  160 and name c ) (resid  161 and name n ) 1.0   157 20  2 ! 160 157 20
assign (resid  161 and name c ) (resid  162 and name n ) 
 (resid  162 and name ca ) (resid  162 and name c ) 1.0   -84 22  2 ! 162 -84 22
assign (resid  162 and name n ) (resid  162 and name ca ) 
 (resid  162 and name c ) (resid  163 and name n ) 1.0   125 46  2 ! 162 125 46
assign (resid  162 and name c ) (resid  163 and name n ) 
 (resid  163 and name ca ) (resid  163 and name c ) 1.0   -110 36  2 ! 163 -110 36
assign (resid  163 and name n ) (resid  163 and name ca ) 
 (resid  163 and name c ) (resid  164 and name n ) 1.0   127 18  2 ! 163 127 18
assign (resid  163 and name c ) (resid  164 and name n ) 
 (resid  164 and name ca ) (resid  164 and name c ) 1.0   -110 24  2 ! 164 -110 24
assign (resid  164 and name n ) (resid  164 and name ca ) 
 (resid  164 and name c ) (resid  165 and name n ) 1.0   127 18  2 ! 164 127 18
assign (resid  164 and name c ) (resid  165 and name n ) 
 (resid  165 and name ca ) (resid  165 and name c ) 1.0   -121 38  2 ! 165 -121 38
assign (resid  165 and name n ) (resid  165 and name ca ) 
 (resid  165 and name c ) (resid  166 and name n ) 1.0   147 24  2 ! 165 147 24
assign (resid  166 and name c ) (resid  167 and name n ) 
 (resid  167 and name ca ) (resid  167 and name c ) 1.0   -103 54  2 ! 167 -103 54
assign (resid  167 and name n ) (resid  167 and name ca ) 
 (resid  167 and name c ) (resid  168 and name n ) 1.0   134 44  2 ! 167 134 44
!The following restraints were added 8/5/01 following the analysis of the 02/05/01 structure by procheck
!
assign (resid  98 and name c ) (resid  99 and name n )
 (resid  99 and name ca ) (resid  99 and name c ) 1.0   -120 60  2 !
assign (resid  99 and name n ) (resid  99 and name ca )
 (resid  99 and name c ) (resid  100 and name n ) 1.0   140 60  2 ! 
assign (resid  6 and name c ) (resid  7 and name n )
 (resid  7 and name ca ) (resid  7 and name c ) 1.0   60 60  2 ! 
assign (resid  7 and name n ) (resid  7 and name ca )
 (resid  7 and name c ) (resid  8 and name n ) 1.0   40 60  2 ! 
assign (resid  9 and name c ) (resid  10 and name n )
 (resid  10 and name ca ) (resid  10 and name c ) 1.0   60 60  2 !
assign (resid  10 and name n ) (resid  10 and name ca )
 (resid  10 and name c ) (resid  11 and name n ) 1.0   40 60  2 !
assign (resid  117 and name c ) (resid  118 and name n )
 (resid  118 and name ca ) (resid  118 and name c ) 1.0   60 60  2 ! 
assign (resid  118 and name n ) (resid  118 and name ca )
 (resid  118 and name c ) (resid  119 and name n ) 1.0   40 60  2 !
!The following restraints were added 18/05/01 following the analysis of the 14/05/01 structure
!with procheck - extra constraints in the phe110 and trp 69 loops
assign (resid  106 and name c ) (resid  107 and name n )
 (resid  107 and name ca ) (resid  107 and name c ) 1.0   -117 70  2 !
assign (resid  107 and name n ) (resid  107 and name ca )
 (resid  107 and name c ) (resid  108 and name n ) 1.0   155 34  2 !
assign (resid  109 and name c ) (resid  110 and name n )
 (resid  110 and name ca ) (resid  110 and name c ) 1.0   60 24  2 !
assign (resid  110 and name n ) (resid  110 and name ca )
 (resid  110 and name c ) (resid  111 and name n ) 1.0   30 28  2 !
assign (resid  110 and name c ) (resid  111 and name n )
 (resid  111 and name ca ) (resid  111 and name c ) 1.0   -81 40  2 !
assign (resid  111 and name n ) (resid  111 and name ca )
 (resid  111 and name c ) (resid  112 and name n ) 1.0   129 54  2 !
!added 01/06/01
assign (resid   51 and name c ) (resid   52 and name n )
 (resid   52 and name ca ) (resid   52 and name c ) 1.0   -93 54  2 !
assign (resid   52 and name n ) (resid   52 and name ca )
 (resid   52 and name c ) (resid   53 and name n ) 1.0   113 44  2 !


!cbm_chis.tbl
!###### sidechain dihedrals
!ISOLEUCINES
assign (resid  6  and name N)  (resid  6  and name CA)
       (resid  6  and name CB) (resid  6  and name CG1)  1.0 -60.0 30.0 2 !ILE
assign (resid  71  and name N)  (resid  71  and name CA)
       (resid  71  and name CB) (resid  71  and name CG1)  1.0 -60.0 30.0 2 !ILE
assign (resid  121  and name N)  (resid  121  and name CA)
       (resid  121  and name CB) (resid  121  and name CG1)  1.0 -60.0 30.0 2 !ILE
!Next not included as found ha-gmethyl may be overlapped - CHECK BACK!
!assign (resid  141  and name N)  (resid  141  and name CA)
!       (resid  141  and name CB) (resid  141  and name CG1)  1.0 60.0 30.0 2 !ILE
assign (resid  145  and name N)  (resid  145  and name CA)
       (resid  145  and name CB) (resid  145  and name CG1)  1.0 -60.0 30.0 2 !ILE
assign (resid  157  and name N)  (resid  157  and name CA)
       (resid  157  and name CB) (resid  157  and name CG1)  1.0 -60.0 30.0 2 !ILE
assign (resid  164  and name N)  (resid  164  and name CA)
       (resid  164  and name CB) (resid  164  and name CG1)  1.0 -60.0 30.0 2 !ILE
!
!VALINES
assign (resid  18  and name N)  (resid  18  and name CA)
       (resid  18  and name CB) (resid  18  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  25  and name N)  (resid  25  and name CA)
       (resid  25  and name CB) (resid  25  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  36  and name N)  (resid  36  and name CA)
       (resid  36  and name CB) (resid  36  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  41  and name N)  (resid  41  and name CA)
       (resid  41  and name CB) (resid  41  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  56  and name N)  (resid  56  and name CA)
       (resid  56  and name CB) (resid  56  and name CG1)  1.0 -60.0 30.0 2  !VAL
assign (resid  59  and name N)  (resid  59  and name CA)
       (resid  59  and name CB) (resid  59  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  61  and name N)  (resid  61  and name CA)
       (resid  61  and name CB) (resid  61  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  78  and name N)  (resid  78  and name CA)
       (resid  78  and name CB) (resid  78  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  80  and name N)  (resid  80  and name CA)
       (resid  80  and name CB) (resid  80  and name CG1)  1.0 -60.0 30.0 2  !VAL
assign (resid  84  and name N)  (resid  84  and name CA)
       (resid  84  and name CB) (resid  84  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  100  and name N)  (resid  100  and name CA)
       (resid  100  and name CB) (resid  100  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  101  and name N)  (resid  101  and name CA)
       (resid  101  and name CB) (resid  101  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  140  and name N)  (resid  140  and name CA)
       (resid  140  and name CB) (resid  140  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  153  and name N)  (resid  153  and name CA)
       (resid  153  and name CB) (resid  153  and name CG1)  1.0 180.0 30.0 2  !VAL
!
!THREONINES
!THR 37 struggling to fit to 60, therefore removed. stu 4/5/01
!assign (resid  37  and name N)  (resid  37  and name CA)
!       (resid  37  and name CB) (resid  37  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  47  and name N)  (resid  47  and name CA)
       (resid  47  and name CB) (resid  47  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  60  and name N)  (resid  60  and name CA)
       (resid  60  and name CB) (resid  60  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  74  and name N)  (resid  74  and name CA)
       (resid  74  and name CB) (resid  74  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  87  and name N)  (resid  87  and name CA)
       (resid  87  and name CB) (resid  87  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  89  and name N)  (resid  89  and name CA)
       (resid  89  and name CB) (resid  89  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  104  and name N)  (resid  104  and name CA)
       (resid  104  and name CB) (resid  104  and name OG1)  1.0 60.0 30.0 2  !THR
!THR 122 struggling to fit to 60, therefore removed. stu 4/5/01
!assign (resid  122  and name N)  (resid  122  and name CA)
!       (resid  122  and name CB) (resid  122  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  123  and name N)  (resid  123  and name CA)
       (resid  123  and name CB) (resid  123  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  129  and name N)  (resid  129  and name CA)
       (resid  129  and name CB) (resid  129  and name OG1)  1.0 180.0 30.0 2  !THR
assign (resid  156  and name N)  (resid  156  and name CA)
       (resid  156  and name CB) (resid  156  and name OG1)  1.0 -60.0 30.0 2  !THR
!
!AMX
assign (resid  42  and name N)  (resid  42  and name CA)
       (resid  42  and name CB) (resid  42  and name CG)  1.0 -60.0 30.0 2  !PHE
assign (resid  91  and name N)  (resid  91  and name CA)
       (resid  91  and name CB) (resid  91  and name CG)  1.0 -60.0 30.0 2  !TRP
assign (resid  103  and name N)  (resid  103  and name CA)
       (resid  103  and name CB) (resid  103  and name CG)  1.0 -60.0 30.0 2  !PHE
assign (resid  113  and name N)  (resid  113  and name CA)
       (resid  113  and name CB) (resid  113  and name CG)  1.0 -60.0 30.0 2  !TYR
!PHE 128 removed as struggling to fit to 60, stu 4/5/01. 
! Need to check new 3d noesy for this residue so that position of ring can be defined.
!seems to be too exposed on the surface of the molecule at the moment but very few noes currently to this residue.
!assign (resid  128  and name N)  (resid  128  and name CA)
!       (resid  128  and name CB) (resid  128  and name CG)  1.0 -60.0 30.0 2  !PHE
assign (resid  158  and name N)  (resid  158  and name CA)
       (resid  158  and name CB) (resid  158  and name CG)  1.0 -60.0 30.0 2  !TYR
!
!new chi constraints added 04/05/01
assign (resid  2  and name N)  (resid  2  and name CA)
       (resid  2  and name CB) (resid  2  and name CG)  1.0 -60.0 30.0 2  !LEU
assign (resid  3  and name N)  (resid  3  and name CA)
       (resid  3  and name CB) (resid  3  and name CG1)  1.0 60.0 30.0 2  !VAL
assign (resid  13  and name N)  (resid  13  and name CA)
       (resid  13  and name CB) (resid  13  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  21  and name N)  (resid  21  and name CA)
       (resid  21  and name CB) (resid  21  and name CG)  1.0 60.0 30.0 2  !LEU
assign (resid  23  and name N)  (resid  23  and name CA)
       (resid  23  and name CB) (resid  23  and name CG)  1.0 60.0 30.0 2  !GLU
assign (resid  26  and name N)  (resid  26  and name CA)
       (resid  26  and name CB) (resid  26  and name CG)  1.0 180.0 30.0 2  !GLU
assign (resid  30  and name N)  (resid  30  and name CA)
       (resid  30  and name CB) (resid  30  and name CG)  1.0 -60.0 30.0 2  !LEU
assign (resid  31  and name N)  (resid  31  and name CA)
       (resid  31  and name CB) (resid  31  and name CG)  1.0 -60.0 30.0 2  !ASN
assign (resid  32  and name N)  (resid  32  and name CA)
       (resid  32  and name CB) (resid  32  and name CG1)  1.0 -60.0 40.0 2  !VAL
assign (resid  43  and name N)  (resid  43  and name CA)
       (resid  43  and name CB) (resid  43  and name CG)  1.0 180.0 30.0 2  !GLU
assign (resid  44  and name N)  (resid  44  and name CA)
       (resid  44  and name CB) (resid  44  and name CG1)  1.0 180.0 30.0 2  !LEU
assign (resid  57  and name N)  (resid  57  and name CA)
       (resid  57  and name CB) (resid  57  and name CG)  1.0 180.0 30.0 2  !LEU
assign (resid  62  and name N)  (resid  62  and name CA)
       (resid  62  and name CB) (resid  62  and name CG)  1.0 60.0 30.0 2  !ASN
assign (resid  64  and name N)  (resid  64  and name CA)
       (resid  64  and name CB) (resid  64  and name CG1)  1.0 -60.0 30.0 2  !VAL
assign (resid  70  and name N)  (resid  70  and name CA)
       (resid  70  and name CB) (resid  70  and name CG)  1.0 -60.0 30.0 2  !ASP
assign (resid  76  and name N)  (resid  76  and name CA)
       (resid  76  and name CB) (resid  76  and name CG)  1.0 60.0 30.0 2  !PHE
assign (resid  79  and name N)  (resid  79  and name CA)
       (resid  79  and name CB) (resid  79  and name CG)  1.0 -60.0 30.0 2  !ASN
assign (resid  86  and name N)  (resid  86  and name CA)
       (resid  86  and name CB) (resid  86  and name CG)  1.0 -60.0 30.0 2  !TYR
assign (resid  90  and name N)  (resid  90  and name CA)
       (resid  90  and name CB) (resid  90  and name CG1)  1.0 180.0 30.0 2 !ILE
assign (resid  108  and name N)  (resid  108  and name CA)
       (resid  108  and name CB) (resid  108  and name CG)  1.0 -60.0 30.0 2  !GLN
assign (resid  112  and name N)  (resid  112  and name CA)
       (resid  112  and name CB) (resid  112  and name CG)  1.0 180.0 30.0 2  !GLU
assign (resid  120  and name N)  (resid  120  and name CA)
       (resid  120  and name CB) (resid  120  and name CG)  1.0 -60.0 30.0 2  !GLN
assign (resid  124  and name N)  (resid  124  and name CA)
       (resid  124  and name CB) (resid  124  and name CG)  1.0 -60.0 30.0 2  !GLU
assign (resid  125  and name N)  (resid  125  and name CA)
       (resid  125  and name CB) (resid  125  and name CG)  1.0 -60.0 30.0 2  !TRP
assign (resid  130  and name N)  (resid  130  and name CA)
       (resid  130  and name CB) (resid  130  and name CG)  1.0 60.0 30.0 2  !PHE
assign (resid  131  and name N)  (resid  131  and name CA)
       (resid  131  and name CB) (resid  131  and name CG)  1.0 -60.0 30.0 2  !GLU
assign (resid  134  and name N)  (resid  134  and name CA)
       (resid  134  and name CB) (resid  134  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  138  and name N)  (resid  138  and name CA)
       (resid  138  and name CB) (resid  138  and name CG)  1.0 -60.0 30.0 2  !GLU
assign (resid  139  and name N)  (resid  139  and name CA)
       (resid  139  and name CB) (resid  139  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  142  and name N)  (resid  142  and name CA)
       (resid  142  and name CB) (resid  142  and name CG)  1.0 60.0 30.0 2  !ARG
assign (resid  147  and name N)  (resid  147  and name CA)
       (resid  147  and name CB) (resid  147  and name CG)  1.0 -60.0 30.0 2  !PHE
assign (resid  149  and name N)  (resid  149  and name CA)
       (resid  149  and name CB) (resid  149  and name CG)  1.0 -60.0 30.0 2  !TYR
assign (resid  159  and name N)  (resid  159  and name CA)
       (resid  159  and name CB) (resid  159  and name CG1)  1.0 -60.0 30.0 2 !ILE
assign (resid  162  and name N)  (resid  162  and name CA)
       (resid  162  and name CB) (resid  162  and name CG)  1.0 180.0 30.0 2  !LEU
!added 18/05/01
assign (resid  110  and name N)  (resid  110  and name CA)
       (resid  110  and name CB) (resid  110  and name CG)  1.0 -60.0 30.0 2  !PHE
!added 01/06/01
assign (resid   29  and name N)  (resid   29  and name CA)
       (resid   29  and name CB) (resid   29  and name CG)  1.0 -60.0 40.0 2  !ASP
assign (resid   69  and name N)  (resid   69  and name CA)
       (resid   69  and name CB) (resid   69  and name CG)  1.0  60.0 30.0 2  !TRP
assign (resid   67  and name N)  (resid   67  and name CA)
       (resid   67  and name CB) (resid   67  and name CG)  1.0 -60.0 30.0 2  !ASN
!added 04/06/01
assign (resid   69  and name CA) (resid   69  and name CB)
       (resid   69  and name CG) (resid   69  and name CD1)  1.0 60.0 40.0 2  !TRP

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1 -11.929  12.792 -10.458
    2   2H    MET   1          HT2       MET   1 -13.004  14.098 -10.622
    3   3H    MET   1          HT3       MET   1 -13.497  12.683  -9.821
    4    HA   MET   1           HA       MET   1 -12.312  14.960  -8.724
    5   1HB   MET   1          HB2       MET   1 -14.087  13.525  -7.727
    6   2HB   MET   1          HB1       MET   1 -12.896  12.242  -7.507
    7   1HG   MET   1          HG2       MET   1 -11.553  14.223  -6.308
    8   2HG   MET   1          HG1       MET   1 -13.189  14.827  -6.046
    9   1HE   MET   1          HE1       MET   1 -12.242  13.299  -2.629
   10   2HE   MET   1          HE2       MET   1 -12.415  14.748  -3.616
   11   3HE   MET   1          HE3       MET   1 -10.961  13.764  -3.757
   12    H    LEU   2           HN       LEU   2 -10.141  15.366  -8.897
   13    HA   LEU   2           HA       LEU   2  -8.132  13.319  -9.108
   14   1HB   LEU   2          HB2       LEU   2  -7.907  16.239  -8.313
   15   2HB   LEU   2          HB1       LEU   2  -6.535  15.192  -8.679
   16    HG   LEU   2           HG       LEU   2  -8.794  15.491 -10.648
   17   1HD1  LEU   2          HD11      LEU   2  -6.894  17.164 -11.636
   18   2HD1  LEU   2          HD12      LEU   2  -6.718  17.476  -9.909
   19   3HD1  LEU   2          HD13      LEU   2  -8.279  17.718 -10.694
   20   1HD2  LEU   2          HD21      LEU   2  -7.129  13.697 -10.976
   21   2HD2  LEU   2          HD22      LEU   2  -5.829  14.886 -10.901
   22   3HD2  LEU   2          HD23      LEU   2  -6.982  14.923 -12.235
   23    H    VAL   3           HN       VAL   3  -6.169  13.820  -7.301
   24    HA   VAL   3           HA       VAL   3  -6.979  14.110  -4.582
   25    HB   VAL   3           HB       VAL   3  -8.136  11.900  -5.332
   26   1HG1  VAL   3          HG11      VAL   3  -6.852  10.030  -5.703
   27   2HG1  VAL   3          HG12      VAL   3  -5.557  10.580  -4.640
   28   3HG1  VAL   3          HG13      VAL   3  -5.700  11.239  -6.270
   29   1HG2  VAL   3          HG21      VAL   3  -6.444  11.297  -2.980
   30   2HG2  VAL   3          HG22      VAL   3  -8.201  11.360  -3.116
   31   3HG2  VAL   3          HG23      VAL   3  -7.278  12.850  -2.919
   32    H    ALA   4           HN       ALA   4  -5.196  13.068  -3.095
   33    HA   ALA   4           HA       ALA   4  -2.636  13.944  -4.119
   34   1HB   ALA   4          HB1       ALA   4  -1.795  13.478  -1.957
   35   2HB   ALA   4          HB2       ALA   4  -3.009  12.236  -1.659
   36   3HB   ALA   4          HB3       ALA   4  -3.473  13.937  -1.668
   37    H    ASN   5           HN       ASN   5  -3.676  10.718  -2.943
   38    HA   ASN   5           HA       ASN   5  -1.421   9.421  -4.248
   39   1HB   ASN   5          HB2       ASN   5  -2.467   8.523  -2.178
   40   2HB   ASN   5          HB1       ASN   5  -3.945   8.203  -3.086
   41   1HD2  ASN   5          HD21      ASN   5  -2.317   6.133  -1.810
   42   2HD2  ASN   5          HD22      ASN   5  -1.730   5.129  -3.046
   43    H    ILE   6           HN       ILE   6  -1.366   8.606  -6.303
   44    HA   ILE   6           HA       ILE   6  -3.918   8.686  -7.857
   45    HB   ILE   6           HB       ILE   6  -1.027   8.976  -8.706
   46   1HG1  ILE   6          HG12      ILE   6  -3.011  10.888  -9.674
   47   2HG1  ILE   6          HG11      ILE   6  -2.966  10.821  -7.912
   48   1HG2  ILE   6          HG21      ILE   6  -2.821   9.386 -10.881
   49   2HG2  ILE   6          HG22      ILE   6  -3.211   7.821 -10.166
   50   3HG2  ILE   6          HG23      ILE   6  -1.572   8.150 -10.727
   51   1HD1  ILE   6          HD11      ILE   6  -0.566  11.222  -7.910
   52   2HD1  ILE   6          HD12      ILE   6  -1.351  12.478  -8.867
   53   3HD1  ILE   6          HD13      ILE   6  -0.519  11.148  -9.671
   54    H    ASN   7           HN       ASN   7  -4.733   6.751  -8.482
   55    HA   ASN   7           HA       ASN   7  -4.876   4.447  -8.890
   56   1HB   ASN   7          HB2       ASN   7  -2.656   5.426 -10.316
   57   2HB   ASN   7          HB1       ASN   7  -2.095   3.949  -9.532
   58   1HD2  ASN   7          HD21      ASN   7  -4.362   2.336  -9.552
   59   2HD2  ASN   7          HD22      ASN   7  -4.860   2.046 -11.148
   60    H    GLY   8           HN       GLY   8  -4.064   5.428  -6.202
   61   1HA   GLY   8          HA2       GLY   8  -2.036   3.693  -5.122
   62   2HA   GLY   8          HA1       GLY   8  -3.258   4.545  -4.178
   63    H    GLY   9           HN       GLY   9  -5.131   3.038  -6.293
   64   1HA   GLY   9          HA2       GLY   9  -5.222   0.496  -4.715
   65   2HA   GLY   9          HA1       GLY   9  -6.685   1.362  -5.190
   66    H    PHE  10           HN       PHE  10  -4.159   1.437  -7.505
   67    HA   PHE  10           HA       PHE  10  -3.931   0.407  -9.601
   68   1HB   PHE  10          HB2       PHE  10  -5.534  -1.890  -8.463
   69   2HB   PHE  10          HB1       PHE  10  -4.318  -1.941  -9.739
   70    HD1  PHE  10           HD1      PHE  10  -1.918  -1.687  -9.210
   71    HD2  PHE  10           HD2      PHE  10  -4.905  -1.806  -6.126
   72    HE1  PHE  10           HE1      PHE  10  -0.153  -2.093  -7.516
   73    HE2  PHE  10           HE2      PHE  10  -3.140  -2.213  -4.432
   74    HZ   PHE  10           HZ       PHE  10  -0.764  -2.356  -5.127
   75    H    GLU  11           HN       GLU  11  -6.514   1.844  -8.607
   76    HA   GLU  11           HA       GLU  11  -8.743   0.754 -10.007
   77   1HB   GLU  11          HB2       GLU  11  -8.139   3.685  -9.508
   78   2HB   GLU  11          HB1       GLU  11  -9.724   2.980  -9.826
   79   1HG   GLU  11          HG2       GLU  11  -8.925   1.448  -7.727
   80   2HG   GLU  11          HG1       GLU  11  -8.118   2.968  -7.337
   81    H    SER  12           HN       SER  12  -6.387   3.246 -11.033
   82    HA   SER  12           HA       SER  12  -7.462   3.188 -13.770
   83   1HB   SER  12          HB2       SER  12  -5.863   4.983 -12.206
   84   2HB   SER  12          HB1       SER  12  -4.970   4.562 -13.664
   85    HG   SER  12           HG       SER  12  -6.495   5.458 -14.873
   86    H    THR  13           HN       THR  13  -5.874   0.908 -12.287
   87    HA   THR  13           HA       THR  13  -3.803   0.515 -14.396
   88    HB   THR  13           HB       THR  13  -4.034  -1.184 -11.927
   89    HG1  THR  13           HG1      THR  13  -2.378   1.038 -11.872
   90   1HG2  THR  13          HG21      THR  13  -1.543  -0.167 -13.274
   91   2HG2  THR  13          HG22      THR  13  -2.429  -1.536 -13.948
   92   3HG2  THR  13          HG23      THR  13  -1.764  -1.632 -12.317
   93    HA   PRO  14           HA       PRO  14  -6.591  -2.556 -16.007
   94   1HB   PRO  14          HB2       PRO  14  -4.938  -3.351 -18.054
   95   2HB   PRO  14          HB1       PRO  14  -5.919  -1.876 -18.105
   96   1HG   PRO  14          HG2       PRO  14  -2.978  -2.163 -17.687
   97   2HG   PRO  14          HG1       PRO  14  -3.887  -0.805 -18.372
   98   1HD   PRO  14          HD2       PRO  14  -2.845  -0.934 -15.749
   99   2HD   PRO  14          HD1       PRO  14  -4.049   0.235 -16.337
  100    H    ALA  15           HN       ALA  15  -6.839  -4.619 -15.359
  101    HA   ALA  15           HA       ALA  15  -5.160  -6.074 -13.723
  102   1HB   ALA  15          HB1       ALA  15  -7.518  -6.561 -15.227
  103   2HB   ALA  15          HB2       ALA  15  -6.891  -7.502 -13.871
  104   3HB   ALA  15          HB3       ALA  15  -6.429  -7.918 -15.522
  105    H    GLY  16           HN       GLY  16  -3.959  -8.174 -14.317
  106   1HA   GLY  16          HA2       GLY  16  -2.844  -9.265 -16.365
  107   2HA   GLY  16          HA1       GLY  16  -2.269  -7.632 -16.715
  108    H    VAL  17           HN       VAL  17  -1.063 -10.366 -15.666
  109    HA   VAL  17           HA       VAL  17   0.078  -9.899 -13.117
  110    HB   VAL  17           HB       VAL  17   0.325 -11.850 -15.127
  111   1HG1  VAL  17          HG11      VAL  17   3.007 -10.603 -14.447
  112   2HG1  VAL  17          HG12      VAL  17   2.277 -10.710 -16.049
  113   3HG1  VAL  17          HG13      VAL  17   2.801 -12.175 -15.220
  114   1HG2  VAL  17          HG21      VAL  17   1.599 -13.060 -13.338
  115   2HG2  VAL  17          HG22      VAL  17   0.116 -12.309 -12.746
  116   3HG2  VAL  17          HG23      VAL  17   1.677 -11.551 -12.428
  117    H    VAL  18           HN       VAL  18   1.918  -8.814 -12.446
  118    HA   VAL  18           HA       VAL  18   2.862  -6.697 -14.243
  119    HB   VAL  18           HB       VAL  18   3.690  -7.339 -11.401
  120   1HG1  VAL  18          HG11      VAL  18   4.157  -5.039 -13.290
  121   2HG1  VAL  18          HG12      VAL  18   5.320  -5.880 -12.264
  122   3HG1  VAL  18          HG13      VAL  18   4.150  -4.772 -11.546
  123   1HG2  VAL  18          HG21      VAL  18   1.203  -6.853 -11.921
  124   2HG2  VAL  18          HG22      VAL  18   1.748  -5.217 -12.298
  125   3HG2  VAL  18          HG23      VAL  18   1.984  -5.873 -10.677
  126    H    THR  19           HN       THR  19   4.974  -6.437 -14.935
  127    HA   THR  19           HA       THR  19   6.691  -8.881 -14.765
  128    HB   THR  19           HB       THR  19   7.516  -8.395 -16.918
  129    HG1  THR  19           HG1      THR  19   7.985  -6.403 -17.300
  130   1HG2  THR  19          HG21      THR  19   4.893  -8.793 -16.646
  131   2HG2  THR  19          HG22      THR  19   5.618  -8.493 -18.226
  132   3HG2  THR  19          HG23      THR  19   4.825  -7.180 -17.356
  133    H    ASP  20           HN       ASP  20   6.463  -5.467 -14.197
  134    HA   ASP  20           HA       ASP  20   9.108  -5.540 -12.848
  135   1HB   ASP  20          HB2       ASP  20   8.305  -3.778 -15.130
  136   2HB   ASP  20          HB1       ASP  20   9.284  -3.069 -13.845
  137    H    LEU  21           HN       LEU  21   8.058  -5.418 -10.835
  138    HA   LEU  21           HA       LEU  21   5.828  -3.892 -10.140
  139   1HB   LEU  21          HB2       LEU  21   7.151  -3.660  -7.846
  140   2HB   LEU  21          HB1       LEU  21   6.494  -5.209  -8.370
  141    HG   LEU  21           HG       LEU  21   8.777  -5.622  -9.476
  142   1HD1  LEU  21          HD11      LEU  21   9.166  -2.967  -8.398
  143   2HD1  LEU  21          HD12      LEU  21  10.237  -3.906  -9.437
  144   3HD1  LEU  21          HD13      LEU  21  10.327  -4.089  -7.683
  145   1HD2  LEU  21          HD21      LEU  21   9.634  -6.571  -7.480
  146   2HD2  LEU  21          HD22      LEU  21   7.888  -6.528  -7.232
  147   3HD2  LEU  21          HD23      LEU  21   8.916  -5.308  -6.479
  148    H    ALA  22           HN       ALA  22   9.169  -2.824 -10.524
  149    HA   ALA  22           HA       ALA  22   8.823  -0.232  -9.356
  150   1HB   ALA  22          HB1       ALA  22  11.005  -1.458 -10.111
  151   2HB   ALA  22          HB2       ALA  22  10.924   0.297 -10.270
  152   3HB   ALA  22          HB3       ALA  22  10.673  -0.729 -11.682
  153    H    GLU  23           HN       GLU  23   8.341  -1.449 -12.659
  154    HA   GLU  23           HA       GLU  23   7.045   1.169 -13.310
  155   1HB   GLU  23          HB2       GLU  23   7.556   0.458 -15.734
  156   2HB   GLU  23          HB1       GLU  23   8.923   0.984 -14.752
  157   1HG   GLU  23          HG2       GLU  23   9.616  -1.271 -14.343
  158   2HG   GLU  23          HG1       GLU  23   8.111  -1.920 -14.996
  159    H    GLY  24           HN       GLY  24   5.712  -1.053 -12.026
  160   1HA   GLY  24          HA2       GLY  24   4.071  -2.225 -14.211
  161   2HA   GLY  24          HA1       GLY  24   4.065  -2.759 -12.530
  162    H    VAL  25           HN       VAL  25   3.126  -1.200 -10.930
  163    HA   VAL  25           HA       VAL  25   0.745   0.111 -12.123
  164    HB   VAL  25           HB       VAL  25   1.431  -0.453  -9.221
  165   1HG1  VAL  25          HG11      VAL  25  -1.279   0.207 -10.370
  166   2HG1  VAL  25          HG12      VAL  25  -0.181   1.478  -9.835
  167   3HG1  VAL  25          HG13      VAL  25  -0.755   0.268  -8.687
  168   1HG2  VAL  25          HG21      VAL  25  -0.750  -1.842 -10.721
  169   2HG2  VAL  25          HG22      VAL  25   0.252  -2.435  -9.397
  170   3HG2  VAL  25          HG23      VAL  25   0.910  -2.351 -11.031
  171    H    GLU  26           HN       GLU  26   0.646   2.298 -12.301
  172    HA   GLU  26           HA       GLU  26   2.899   3.946 -11.603
  173   1HB   GLU  26          HB2       GLU  26   1.587   4.668 -13.450
  174   2HB   GLU  26          HB1       GLU  26   0.088   4.558 -12.527
  175   1HG   GLU  26          HG2       GLU  26   0.763   6.422 -11.115
  176   2HG   GLU  26          HG1       GLU  26   2.341   6.487 -11.902
  177    H    GLY  27           HN       GLY  27  -0.231   3.337 -10.054
  178   1HA   GLY  27          HA2       GLY  27   0.282   5.361  -7.988
  179   2HA   GLY  27          HA1       GLY  27  -1.112   4.285  -8.059
  180    H    TRP  28           HN       TRP  28   1.114   2.078  -8.494
  181    HA   TRP  28           HA       TRP  28   2.002   1.920  -5.654
  182   1HB   TRP  28          HB2       TRP  28   0.057   0.183  -7.004
  183   2HB   TRP  28          HB1       TRP  28   1.386  -0.697  -6.253
  184    HD1  TRP  28           HD1      TRP  28  -0.748   2.355  -5.155
  185    HE1  TRP  28           HE1      TRP  28  -1.495   1.963  -2.719
  186    HE3  TRP  28           HE3      TRP  28   1.388  -2.201  -4.307
  187    HZ2  TRP  28           HZ2      TRP  28  -1.221  -0.039  -0.666
  188    HZ3  TRP  28           HZ3      TRP  28   1.135  -3.324  -2.114
  189    HH2  TRP  28           HH2      TRP  28  -0.164  -2.251  -0.297
  190    H    ASP  29           HN       ASP  29   4.108   1.394  -5.569
  191    HA   ASP  29           HA       ASP  29   5.311  -0.074  -7.886
  192   1HB   ASP  29          HB2       ASP  29   6.310   2.237  -6.242
  193   2HB   ASP  29          HB1       ASP  29   7.475   1.105  -6.929
  194    H    LEU  30           HN       LEU  30   6.706  -1.834  -7.314
  195    HA   LEU  30           HA       LEU  30   6.717  -2.444  -4.383
  196   1HB   LEU  30          HB2       LEU  30   7.009  -4.639  -6.383
  197   2HB   LEU  30          HB1       LEU  30   6.228  -4.655  -4.805
  198    HG   LEU  30           HG       LEU  30   5.154  -3.332  -7.312
  199   1HD1  LEU  30          HD11      LEU  30   3.690  -5.436  -5.792
  200   2HD1  LEU  30          HD12      LEU  30   5.068  -5.960  -6.760
  201   3HD1  LEU  30          HD13      LEU  30   3.721  -5.119  -7.526
  202   1HD2  LEU  30          HD21      LEU  30   4.764  -2.632  -4.633
  203   2HD2  LEU  30          HD22      LEU  30   3.349  -3.602  -5.045
  204   3HD2  LEU  30          HD23      LEU  30   3.741  -2.167  -5.993
  205    H    ASN  31           HN       ASN  31   8.579  -3.758  -3.677
  206    HA   ASN  31           HA       ASN  31  10.942  -3.767  -5.432
  207   1HB   ASN  31          HB2       ASN  31  10.767  -2.046  -2.946
  208   2HB   ASN  31          HB1       ASN  31  12.292  -2.492  -3.711
  209   1HD2  ASN  31          HD21      ASN  31  12.665  -1.697  -5.952
  210   2HD2  ASN  31          HD22      ASN  31  11.821  -0.339  -6.521
  211    H    VAL  32           HN       VAL  32  11.945  -5.660  -5.027
  212    HA   VAL  32           HA       VAL  32  11.562  -6.889  -2.327
  213    HB   VAL  32           HB       VAL  32  12.567  -8.911  -3.876
  214   1HG1  VAL  32          HG11      VAL  32  10.198  -9.678  -4.004
  215   2HG1  VAL  32          HG12      VAL  32   9.678  -8.068  -3.503
  216   3HG1  VAL  32          HG13      VAL  32  10.629  -9.070  -2.405
  217   1HG2  VAL  32          HG21      VAL  32  10.741  -7.243  -5.639
  218   2HG2  VAL  32          HG22      VAL  32  11.360  -8.849  -6.020
  219   3HG2  VAL  32          HG23      VAL  32  12.468  -7.483  -5.905
  220    H    GLY  33           HN       GLY  33  13.351  -7.406  -1.107
  221   1HA   GLY  33          HA2       GLY  33  15.985  -6.584  -2.250
  222   2HA   GLY  33          HA1       GLY  33  15.602  -6.616  -0.527
  223    H    SER  34           HN       SER  34  17.829  -7.915  -0.968
  224    HA   SER  34           HA       SER  34  17.719 -10.585  -1.935
  225   1HB   SER  34          HB2       SER  34  19.432  -9.509   0.326
  226   2HB   SER  34          HB1       SER  34  19.747 -10.965  -0.614
  227    HG   SER  34           HG       SER  34  20.618  -9.739  -2.069
  228    H    SER  35           HN       SER  35  16.289  -9.183   0.834
  229    HA   SER  35           HA       SER  35  16.312 -11.414   2.625
  230   1HB   SER  35          HB2       SER  35  14.063 -10.265   3.381
  231   2HB   SER  35          HB1       SER  35  15.599  -9.446   3.645
  232    HG   SER  35           HG       SER  35  15.177  -8.101   2.009
  233    H    VAL  36           HN       VAL  36  14.175 -10.552  -0.079
  234    HA   VAL  36           HA       VAL  36  12.214 -12.562   0.418
  235    HB   VAL  36           HB       VAL  36  13.002 -10.778  -1.832
  236   1HG1  VAL  36          HG11      VAL  36  11.717 -13.436  -2.140
  237   2HG1  VAL  36          HG12      VAL  36  12.700 -12.519  -3.278
  238   3HG1  VAL  36          HG13      VAL  36  11.004 -12.096  -3.037
  239   1HG2  VAL  36          HG21      VAL  36  10.678 -11.320  -0.056
  240   2HG2  VAL  36          HG22      VAL  36  10.306 -10.758  -1.685
  241   3HG2  VAL  36          HG23      VAL  36  11.324  -9.782  -0.627
  242    H    THR  37           HN       THR  37  13.256 -14.541   0.831
  243    HA   THR  37           HA       THR  37  15.232 -15.641  -0.989
  244    HB   THR  37           HB       THR  37  13.554 -16.967   1.155
  245    HG1  THR  37           HG1      THR  37  15.639 -16.817   2.255
  246   1HG2  THR  37          HG21      THR  37  14.379 -18.896   0.353
  247   2HG2  THR  37          HG22      THR  37  15.994 -18.319   0.764
  248   3HG2  THR  37          HG23      THR  37  15.339 -18.033  -0.848
  249    H    ASN  38           HN       ASN  38  11.797 -15.680  -0.690
  250    HA   ASN  38           HA       ASN  38  11.611 -17.633  -2.945
  251   1HB   ASN  38          HB2       ASN  38  10.200 -17.457  -0.478
  252   2HB   ASN  38          HB1       ASN  38   9.053 -17.085  -1.766
  253   1HD2  ASN  38          HD21      ASN  38   8.822 -19.521  -0.313
  254   2HD2  ASN  38          HD22      ASN  38   9.207 -20.813  -1.345
  255    HA   PRO  39           HA       PRO  39  10.247 -14.245  -5.410
  256   1HB   PRO  39          HB2       PRO  39   9.248 -15.729  -7.498
  257   2HB   PRO  39          HB1       PRO  39  10.977 -15.453  -7.228
  258   1HG   PRO  39          HG2       PRO  39   9.368 -17.917  -6.731
  259   2HG   PRO  39          HG1       PRO  39  11.092 -17.759  -7.105
  260   1HD   PRO  39          HD2       PRO  39  10.003 -18.231  -4.543
  261   2HD   PRO  39          HD1       PRO  39  11.666 -17.706  -4.887
  262    HA   PRO  40           HA       PRO  40   5.922 -14.377  -4.094
  263   1HB   PRO  40          HB2       PRO  40   5.660 -11.639  -4.044
  264   2HB   PRO  40          HB1       PRO  40   6.357 -12.579  -2.713
  265   1HG   PRO  40          HG2       PRO  40   7.739 -10.858  -4.720
  266   2HG   PRO  40          HG1       PRO  40   8.237 -11.284  -3.074
  267   1HD   PRO  40          HD2       PRO  40   9.245 -12.428  -5.458
  268   2HD   PRO  40          HD1       PRO  40   9.476 -13.065  -3.815
  269    H    VAL  41           HN       VAL  41   3.908 -13.412  -5.153
  270    HA   VAL  41           HA       VAL  41   4.401 -13.062  -8.080
  271    HB   VAL  41           HB       VAL  41   2.036 -14.144  -6.541
  272   1HG1  VAL  41          HG11      VAL  41   2.215 -13.602  -9.521
  273   2HG1  VAL  41          HG12      VAL  41   1.309 -12.599  -8.385
  274   3HG1  VAL  41          HG13      VAL  41   0.836 -14.279  -8.654
  275   1HG2  VAL  41          HG21      VAL  41   3.769 -15.299  -8.747
  276   2HG2  VAL  41          HG22      VAL  41   2.468 -16.139  -7.902
  277   3HG2  VAL  41          HG23      VAL  41   3.930 -15.675  -7.031
  278    H    PHE  42           HN       PHE  42   4.039 -11.042  -8.867
  279    HA   PHE  42           HA       PHE  42   2.220  -9.254  -7.341
  280   1HB   PHE  42          HB2       PHE  42   4.582  -8.736  -9.156
  281   2HB   PHE  42          HB1       PHE  42   3.469  -7.481  -8.667
  282    HD1  PHE  42           HD1      PHE  42   2.891  -7.643  -5.981
  283    HD2  PHE  42           HD2      PHE  42   6.536  -8.861  -7.899
  284    HE1  PHE  42           HE1      PHE  42   4.103  -7.403  -3.830
  285    HE2  PHE  42           HE2      PHE  42   7.748  -8.621  -5.750
  286    HZ   PHE  42           HZ       PHE  42   6.532  -7.892  -3.715
  287    H    GLU  43           HN       GLU  43   0.239  -9.252  -8.355
  288    HA   GLU  43           HA       GLU  43   0.177  -8.757 -11.267
  289   1HB   GLU  43          HB2       GLU  43   0.153 -11.177 -11.223
  290   2HB   GLU  43          HB1       GLU  43  -1.092 -11.186  -9.973
  291   1HG   GLU  43          HG2       GLU  43  -1.755  -9.659 -12.425
  292   2HG   GLU  43          HG1       GLU  43  -1.642 -11.408 -12.623
  293    H    VAL  44           HN       VAL  44  -1.730  -7.724 -11.922
  294    HA   VAL  44           HA       VAL  44  -3.376  -6.657  -9.707
  295    HB   VAL  44           HB       VAL  44  -3.446  -5.980 -12.663
  296   1HG1  VAL  44          HG11      VAL  44  -4.983  -5.158 -10.308
  297   2HG1  VAL  44          HG12      VAL  44  -5.332  -4.907 -12.019
  298   3HG1  VAL  44          HG13      VAL  44  -4.264  -3.794 -11.164
  299   1HG2  VAL  44          HG21      VAL  44  -2.306  -3.843 -11.400
  300   2HG2  VAL  44          HG22      VAL  44  -1.382  -5.124 -12.186
  301   3HG2  VAL  44          HG23      VAL  44  -1.656  -5.176 -10.445
  302    H    LEU  45           HN       LEU  45  -5.668  -6.914  -9.649
  303    HA   LEU  45           HA       LEU  45  -6.824  -8.859 -11.567
  304   1HB   LEU  45          HB2       LEU  45  -6.336 -10.266  -9.712
  305   2HB   LEU  45          HB1       LEU  45  -6.823  -9.032  -8.549
  306    HG   LEU  45           HG       LEU  45  -8.986  -9.629 -10.388
  307   1HD1  LEU  45          HD11      LEU  45  -9.298 -11.942  -9.112
  308   2HD1  LEU  45          HD12      LEU  45  -7.535 -11.898  -9.097
  309   3HD1  LEU  45          HD13      LEU  45  -8.406 -11.848 -10.630
  310   1HD2  LEU  45          HD21      LEU  45 -10.025  -8.953  -8.511
  311   2HD2  LEU  45          HD22      LEU  45  -8.500  -9.013  -7.628
  312   3HD2  LEU  45          HD23      LEU  45  -9.526 -10.446  -7.715
  313    H    GLU  46           HN       GLU  46  -9.038  -8.548 -11.901
  314    HA   GLU  46           HA       GLU  46 -10.133  -6.008 -10.784
  315   1HB   GLU  46          HB2       GLU  46 -10.273  -7.290 -13.473
  316   2HB   GLU  46          HB1       GLU  46 -11.700  -6.410 -12.922
  317   1HG   GLU  46          HG2       GLU  46 -10.093  -4.501 -12.323
  318   2HG   GLU  46          HG1       GLU  46  -8.893  -5.362 -13.289
  319    H    THR  47           HN       THR  47 -11.552  -6.466  -9.192
  320    HA   THR  47           HA       THR  47 -13.579  -8.595  -9.703
  321    HB   THR  47           HB       THR  47 -13.408  -8.972  -7.119
  322    HG1  THR  47           HG1      THR  47 -11.758  -8.086  -6.191
  323   1HG2  THR  47          HG21      THR  47 -11.457  -9.941  -9.206
  324   2HG2  THR  47          HG22      THR  47 -12.870 -10.773  -8.555
  325   3HG2  THR  47          HG23      THR  47 -11.430 -10.567  -7.557
  326    H    SER  48           HN       SER  48 -15.650  -8.096  -8.911
  327    HA   SER  48           HA       SER  48 -16.244  -5.301  -8.530
  328   1HB   SER  48          HB2       SER  48 -17.992  -7.711  -7.955
  329   2HB   SER  48          HB1       SER  48 -18.546  -6.051  -8.152
  330    HG   SER  48           HG       SER  48 -18.369  -7.770 -10.026
  331    H    ASP  49           HN       ASP  49 -15.287  -7.816  -6.385
  332    HA   ASP  49           HA       ASP  49 -16.508  -6.691  -3.990
  333   1HB   ASP  49          HB2       ASP  49 -14.555  -8.874  -4.597
  334   2HB   ASP  49          HB1       ASP  49 -14.589  -8.226  -2.957
  335    H    ALA  50           HN       ALA  50 -13.870  -5.812  -5.926
  336    HA   ALA  50           HA       ALA  50 -11.841  -4.976  -4.242
  337   1HB   ALA  50          HB1       ALA  50 -12.296  -4.540  -6.822
  338   2HB   ALA  50          HB2       ALA  50 -11.203  -3.498  -5.912
  339   3HB   ALA  50          HB3       ALA  50 -12.858  -2.978  -6.227
  340    HA   PRO  51           HA       PRO  51 -13.671  -2.111  -1.459
  341   1HB   PRO  51          HB2       PRO  51 -11.352  -0.883  -0.636
  342   2HB   PRO  51          HB1       PRO  51 -11.845  -2.501  -0.105
  343   1HG   PRO  51          HG2       PRO  51  -9.727  -1.730  -2.060
  344   2HG   PRO  51          HG1       PRO  51  -9.846  -3.179  -1.047
  345   1HD   PRO  51          HD2       PRO  51 -10.460  -3.030  -3.807
  346   2HD   PRO  51          HD1       PRO  51 -10.882  -4.365  -2.713
  347    H    GLU  52           HN       GLU  52 -11.228  -0.847  -3.736
  348    HA   GLU  52           HA       GLU  52 -12.882   1.635  -3.962
  349   1HB   GLU  52          HB2       GLU  52 -10.413   1.623  -2.854
  350   2HB   GLU  52          HB1       GLU  52  -9.974   1.811  -4.553
  351   1HG   GLU  52          HG2       GLU  52 -10.443   4.004  -4.338
  352   2HG   GLU  52          HG1       GLU  52 -12.141   3.550  -4.181
  353    H    GLY  53           HN       GLY  53 -13.859   1.408  -5.932
  354   1HA   GLY  53          HA2       GLY  53 -13.907   1.469  -8.304
  355   2HA   GLY  53          HA1       GLY  53 -12.162   1.208  -8.315
  356    H    ASN  54           HN       ASN  54 -11.633  -0.712  -9.223
  357    HA   ASN  54           HA       ASN  54 -12.969  -3.169  -8.356
  358   1HB   ASN  54          HB2       ASN  54 -13.039  -2.510 -11.307
  359   2HB   ASN  54          HB1       ASN  54 -13.841  -3.842 -10.474
  360   1HD2  ASN  54          HD21      ASN  54 -15.915  -3.443  -9.588
  361   2HD2  ASN  54          HD22      ASN  54 -16.672  -1.924  -9.609
  362    H    LYS  55           HN       LYS  55 -10.235  -1.830  -8.591
  363    HA   LYS  55           HA       LYS  55  -8.887  -4.171  -9.861
  364   1HB   LYS  55          HB2       LYS  55  -8.270  -1.236 -10.248
  365   2HB   LYS  55          HB1       LYS  55  -7.084  -2.498 -10.584
  366   1HG   LYS  55          HG2       LYS  55  -8.306  -3.365 -12.365
  367   2HG   LYS  55          HG1       LYS  55  -9.837  -2.741 -11.750
  368   1HD   LYS  55          HD2       LYS  55  -9.442  -0.592 -12.553
  369   2HD   LYS  55          HD1       LYS  55  -7.691  -0.805 -12.555
  370   1HE   LYS  55          HE2       LYS  55  -7.833  -2.309 -14.468
  371   2HE   LYS  55          HE1       LYS  55  -9.595  -2.238 -14.430
  372   1HZ   LYS  55          HZ1       LYS  55  -8.263   0.328 -14.547
  373   2HZ   LYS  55          HZ2       LYS  55  -9.621  -0.234 -15.399
  374   3HZ   LYS  55          HZ3       LYS  55  -8.057  -0.639 -15.924
  375    H    VAL  56           HN       VAL  56  -7.144  -4.949  -8.691
  376    HA   VAL  56           HA       VAL  56  -6.036  -3.315  -6.485
  377    HB   VAL  56           HB       VAL  56  -6.500  -4.926  -4.776
  378   1HG1  VAL  56          HG11      VAL  56  -8.824  -4.708  -4.589
  379   2HG1  VAL  56          HG12      VAL  56  -9.082  -4.940  -6.318
  380   3HG1  VAL  56          HG13      VAL  56  -8.417  -3.420  -5.721
  381   1HG2  VAL  56          HG21      VAL  56  -6.882  -6.681  -7.103
  382   2HG2  VAL  56          HG22      VAL  56  -8.103  -6.907  -5.850
  383   3HG2  VAL  56          HG23      VAL  56  -6.393  -7.089  -5.458
  384    H    LEU  57           HN       LEU  57  -4.221  -4.719  -5.375
  385    HA   LEU  57           HA       LEU  57  -2.732  -6.055  -7.591
  386   1HB   LEU  57          HB2       LEU  57  -1.350  -4.332  -6.804
  387   2HB   LEU  57          HB1       LEU  57  -1.870  -4.546  -5.133
  388    HG   LEU  57           HG       LEU  57  -0.730  -7.015  -5.894
  389   1HD1  LEU  57          HD11      LEU  57   1.582  -5.375  -6.282
  390   2HD1  LEU  57          HD12      LEU  57   0.372  -4.924  -7.483
  391   3HD1  LEU  57          HD13      LEU  57   0.914  -6.600  -7.363
  392   1HD2  LEU  57          HD21      LEU  57   0.272  -4.697  -4.215
  393   2HD2  LEU  57          HD22      LEU  57   1.038  -6.286  -4.239
  394   3HD2  LEU  57          HD23      LEU  57  -0.620  -6.116  -3.657
  395    H    ALA  58           HN       ALA  58  -3.398  -8.190  -7.434
  396    HA   ALA  58           HA       ALA  58  -3.608  -9.493  -4.816
  397   1HB   ALA  58          HB1       ALA  58  -3.679 -10.695  -7.604
  398   2HB   ALA  58          HB2       ALA  58  -5.093 -10.126  -6.717
  399   3HB   ALA  58          HB3       ALA  58  -4.168 -11.501  -6.114
  400    H    VAL  59           HN       VAL  59  -1.732 -10.066  -3.783
  401    HA   VAL  59           HA       VAL  59   0.580 -10.870  -5.423
  402    HB   VAL  59           HB       VAL  59   0.310  -9.674  -2.682
  403   1HG1  VAL  59          HG11      VAL  59   2.728  -9.971  -2.441
  404   2HG1  VAL  59          HG12      VAL  59   2.763 -10.859  -3.965
  405   3HG1  VAL  59          HG13      VAL  59   1.894 -11.517  -2.579
  406   1HG2  VAL  59          HG21      VAL  59   1.780  -8.863  -5.202
  407   2HG2  VAL  59          HG22      VAL  59   1.886  -7.999  -3.667
  408   3HG2  VAL  59          HG23      VAL  59   0.349  -8.082  -4.530
  409    H    THR  60           HN       THR  60   1.573 -12.758  -4.926
  410    HA   THR  60           HA       THR  60   0.084 -14.625  -3.138
  411    HB   THR  60           HB       THR  60   2.086 -15.485  -5.223
  412    HG1  THR  60           HG1      THR  60  -0.660 -14.874  -5.561
  413   1HG2  THR  60          HG21      THR  60   0.011 -17.284  -5.129
  414   2HG2  THR  60          HG22      THR  60   0.081 -16.719  -3.460
  415   3HG2  THR  60          HG23      THR  60   1.510 -17.430  -4.211
  416    H    VAL  61           HN       VAL  61   1.197 -13.978  -1.210
  417    HA   VAL  61           HA       VAL  61   4.130 -14.104  -1.151
  418    HB   VAL  61           HB       VAL  61   2.014 -13.601   0.952
  419   1HG1  VAL  61          HG11      VAL  61   3.971 -14.906   1.872
  420   2HG1  VAL  61          HG12      VAL  61   3.777 -13.303   2.579
  421   3HG1  VAL  61          HG13      VAL  61   5.018 -13.584   1.358
  422   1HG2  VAL  61          HG21      VAL  61   4.236 -11.916  -0.249
  423   2HG2  VAL  61          HG22      VAL  61   3.127 -11.380   1.014
  424   3HG2  VAL  61          HG23      VAL  61   2.515 -11.756  -0.597
  425    H    ASN  62           HN       ASN  62   5.283 -15.900  -0.642
  426    HA   ASN  62           HA       ASN  62   4.166 -17.991   1.072
  427   1HB   ASN  62          HB2       ASN  62   4.600 -19.751  -0.770
  428   2HB   ASN  62          HB1       ASN  62   3.121 -18.796  -0.892
  429   1HD2  ASN  62          HD21      ASN  62   2.873 -17.451  -2.731
  430   2HD2  ASN  62          HD22      ASN  62   4.062 -17.267  -3.928
  431    H    GLY  63           HN       GLY  63   6.300 -16.730   1.845
  432   1HA   GLY  63          HA2       GLY  63   8.343 -18.398   2.374
  433   2HA   GLY  63          HA1       GLY  63   8.742 -17.949   0.716
  434    H    VAL  64           HN       VAL  64   8.620 -16.849   4.019
  435    HA   VAL  64           HA       VAL  64   9.284 -14.078   3.358
  436    HB   VAL  64           HB       VAL  64   9.831 -14.045   5.901
  437   1HG1  VAL  64          HG11      VAL  64   7.087 -14.668   6.032
  438   2HG1  VAL  64          HG12      VAL  64   7.359 -14.043   4.406
  439   3HG1  VAL  64          HG13      VAL  64   7.807 -13.074   5.809
  440   1HG2  VAL  64          HG21      VAL  64   9.798 -16.730   5.697
  441   2HG2  VAL  64          HG22      VAL  64   8.095 -16.463   6.076
  442   3HG2  VAL  64          HG23      VAL  64   9.344 -15.894   7.182
  443    H    GLY  65           HN       GLY  65  11.353 -13.390   4.971
  444   1HA   GLY  65          HA2       GLY  65  13.609 -15.176   4.166
  445   2HA   GLY  65          HA1       GLY  65  13.691 -13.442   3.853
  446    H    ASN  66           HN       ASN  66  15.656 -13.581   5.261
  447    HA   ASN  66           HA       ASN  66  15.188 -14.072   8.122
  448   1HB   ASN  66          HB2       ASN  66  17.503 -13.743   6.355
  449   2HB   ASN  66          HB1       ASN  66  17.687 -12.894   7.891
  450   1HD2  ASN  66          HD21      ASN  66  18.764 -14.227   9.348
  451   2HD2  ASN  66          HD22      ASN  66  18.504 -15.895   9.522
  452    H    ASN  67           HN       ASN  67  14.360 -11.595   6.173
  453    HA   ASN  67           HA       ASN  67  14.783  -9.595   8.354
  454   1HB   ASN  67          HB2       ASN  67  14.931  -9.162   5.357
  455   2HB   ASN  67          HB1       ASN  67  14.890  -7.856   6.542
  456   1HD2  ASN  67          HD21      ASN  67  17.110  -8.974   4.641
  457   2HD2  ASN  67          HD22      ASN  67  18.450  -9.136   5.670
  458    HA   PRO  68           HA       PRO  68  10.420  -9.102   8.104
  459   1HB   PRO  68          HB2       PRO  68  10.245  -6.663   9.357
  460   2HB   PRO  68          HB1       PRO  68  10.557  -8.182  10.213
  461   1HG   PRO  68          HG2       PRO  68  12.450  -5.971   9.565
  462   2HG   PRO  68          HG1       PRO  68  12.510  -7.147  10.888
  463   1HD   PRO  68          HD2       PRO  68  14.038  -7.251   8.506
  464   2HD   PRO  68          HD1       PRO  68  13.838  -8.570   9.681
  465    H    TRP  69           HN       TRP  69  12.410  -7.680   6.009
  466    HA   TRP  69           HA       TRP  69  10.229  -6.015   4.841
  467   1HB   TRP  69          HB2       TRP  69  12.159  -4.494   4.010
  468   2HB   TRP  69          HB1       TRP  69  11.650  -4.336   5.691
  469    HD1  TRP  69           HD1      TRP  69  14.290  -6.285   3.639
  470    HE1  TRP  69           HE1      TRP  69  16.407  -6.533   5.089
  471    HE3  TRP  69           HE3      TRP  69  12.662  -4.097   7.956
  472    HZ2  TRP  69           HZ2      TRP  69  17.292  -5.888   7.732
  473    HZ3  TRP  69           HZ3      TRP  69  14.161  -3.927   9.922
  474    HH2  TRP  69           HH2      TRP  69  16.472  -4.819   9.816
  475    H    ASP  70           HN       ASP  70  10.410  -8.492   3.916
  476    HA   ASP  70           HA       ASP  70  12.389  -8.761   1.776
  477   1HB   ASP  70          HB2       ASP  70   9.912 -10.435   1.833
  478   2HB   ASP  70          HB1       ASP  70  11.581 -10.912   1.518
  479    H    ILE  71           HN       ILE  71   8.805  -8.819   1.638
  480    HA   ILE  71           HA       ILE  71   8.995  -7.552  -1.049
  481    HB   ILE  71           HB       ILE  71   6.751  -8.980   0.402
  482   1HG1  ILE  71          HG12      ILE  71   7.080 -10.170  -2.029
  483   2HG1  ILE  71          HG11      ILE  71   8.730  -9.638  -1.703
  484   1HG2  ILE  71          HG21      ILE  71   6.711  -7.104  -1.891
  485   2HG2  ILE  71          HG22      ILE  71   5.415  -7.560  -0.785
  486   3HG2  ILE  71          HG23      ILE  71   5.834  -8.615  -2.135
  487   1HD1  ILE  71          HD11      ILE  71   8.859 -10.885   0.304
  488   2HD1  ILE  71          HD12      ILE  71   8.044 -11.968  -0.824
  489   3HD1  ILE  71          HD13      ILE  71   7.110 -11.091   0.387
  490    H    GLU  72           HN       GLU  72   8.467  -5.413  -1.280
  491    HA   GLU  72           HA       GLU  72   6.797  -4.162   0.855
  492   1HB   GLU  72          HB2       GLU  72   9.275  -3.705   1.169
  493   2HB   GLU  72          HB1       GLU  72   9.230  -2.835  -0.365
  494   1HG   GLU  72          HG2       GLU  72   7.657  -1.237   0.487
  495   2HG   GLU  72          HG1       GLU  72   7.370  -2.200   1.937
  496    H    ALA  73           HN       ALA  73   5.068  -3.194  -0.072
  497    HA   ALA  73           HA       ALA  73   5.350  -2.242  -2.891
  498   1HB   ALA  73          HB1       ALA  73   3.721  -4.098  -2.622
  499   2HB   ALA  73          HB2       ALA  73   2.916  -2.605  -3.103
  500   3HB   ALA  73          HB3       ALA  73   2.846  -3.143  -1.425
  501    H    THR  74           HN       THR  74   5.681  -0.068  -2.762
  502    HA   THR  74           HA       THR  74   4.293   1.507  -0.664
  503    HB   THR  74           HB       THR  74   6.437   2.298  -2.659
  504    HG1  THR  74           HG1      THR  74   7.740   1.475  -1.261
  505   1HG2  THR  74          HG21      THR  74   6.691   4.279  -1.177
  506   2HG2  THR  74          HG22      THR  74   5.285   3.743  -0.259
  507   3HG2  THR  74          HG23      THR  74   5.107   4.217  -1.948
  508    H    ALA  75           HN       ALA  75   3.282   3.604  -1.363
  509    HA   ALA  75           HA       ALA  75   2.109   3.344  -4.103
  510   1HB   ALA  75          HB1       ALA  75   0.838   4.552  -1.630
  511   2HB   ALA  75          HB2       ALA  75   0.418   2.993  -2.342
  512   3HB   ALA  75          HB3       ALA  75   0.110   4.482  -3.235
  513    H    PHE  76           HN       PHE  76   2.159   5.158  -5.382
  514    HA   PHE  76           HA       PHE  76   2.452   7.845  -4.543
  515   1HB   PHE  76          HB2       PHE  76   4.728   8.266  -4.420
  516   2HB   PHE  76          HB1       PHE  76   4.714   6.612  -3.818
  517    HD1  PHE  76           HD1      PHE  76   5.458   8.767  -6.719
  518    HD2  PHE  76           HD2      PHE  76   5.524   4.761  -5.170
  519    HE1  PHE  76           HE1      PHE  76   6.907   8.062  -8.604
  520    HE2  PHE  76           HE2      PHE  76   6.973   4.056  -7.055
  521    HZ   PHE  76           HZ       PHE  76   7.664   5.706  -8.772
  522    HA   PRO  77           HA       PRO  77   4.117   9.403  -5.425
  523   1HB   PRO  77          HB2       PRO  77   3.601  11.696  -6.838
  524   2HB   PRO  77          HB1       PRO  77   5.007  10.660  -7.139
  525   1HG   PRO  77          HG2       PRO  77   2.525  10.969  -8.758
  526   2HG   PRO  77          HG1       PRO  77   4.143  10.460  -9.270
  527   1HD   PRO  77          HD2       PRO  77   1.921   8.755  -8.798
  528   2HD   PRO  77          HD1       PRO  77   3.607   8.247  -9.036
  529    H    VAL  78           HN       VAL  78   3.170  11.242  -4.158
  530    HA   VAL  78           HA       VAL  78   0.180  11.276  -4.273
  531    HB   VAL  78           HB       VAL  78   1.950  11.315  -1.808
  532   1HG1  VAL  78          HG11      VAL  78  -0.483  11.013  -0.800
  533   2HG1  VAL  78          HG12      VAL  78  -0.962  11.833  -2.286
  534   3HG1  VAL  78          HG13      VAL  78   0.142  12.622  -1.160
  535   1HG2  VAL  78          HG21      VAL  78   1.727   9.084  -2.829
  536   2HG2  VAL  78          HG22      VAL  78  -0.027   9.267  -2.861
  537   3HG2  VAL  78          HG23      VAL  78   0.820   9.162  -1.318
  538    H    ASN  79           HN       ASN  79  -0.773  13.320  -3.539
  539    HA   ASN  79           HA       ASN  79   1.170  15.594  -3.664
  540   1HB   ASN  79          HB2       ASN  79  -1.581  15.328  -4.896
  541   2HB   ASN  79          HB1       ASN  79  -0.759  16.879  -4.719
  542   1HD2  ASN  79          HD21      ASN  79  -1.348  14.718  -7.060
  543   2HD2  ASN  79          HD22      ASN  79   0.106  14.782  -7.935
  544    H    VAL  80           HN       VAL  80   1.160  16.778  -1.825
  545    HA   VAL  80           HA       VAL  80  -1.383  16.912  -0.258
  546    HB   VAL  80           HB       VAL  80   0.225  17.150   1.763
  547   1HG1  VAL  80          HG11      VAL  80  -0.298  14.597   0.239
  548   2HG1  VAL  80          HG12      VAL  80  -1.151  15.225   1.649
  549   3HG1  VAL  80          HG13      VAL  80   0.484  14.587   1.819
  550   1HG2  VAL  80          HG21      VAL  80   2.147  17.093  -0.186
  551   2HG2  VAL  80          HG22      VAL  80   2.120  15.402   0.315
  552   3HG2  VAL  80          HG23      VAL  80   2.439  16.669   1.501
  553    H    ARG  81           HN       ARG  81  -0.818  18.797   1.559
  554    HA   ARG  81           HA       ARG  81   0.369  21.096   0.076
  555   1HB   ARG  81          HB2       ARG  81  -2.416  20.806   1.125
  556   2HB   ARG  81          HB1       ARG  81  -1.641  22.385   1.266
  557   1HG   ARG  81          HG2       ARG  81  -1.013  21.606  -1.320
  558   2HG   ARG  81          HG1       ARG  81  -2.666  21.024  -1.116
  559   1HD   ARG  81          HD2       ARG  81  -3.274  23.312  -0.238
  560   2HD   ARG  81          HD1       ARG  81  -1.662  23.852  -0.707
  561    HE   ARG  81           HE       ARG  81  -3.338  22.599  -2.807
  562   1HH1  ARG  81          1HH1      ARG  81  -2.805  25.534  -1.182
  563   2HH1  ARG  81          2HH1      ARG  81  -2.636  26.482  -2.621
  564   1HH2  ARG  81          1HH2      ARG  81  -2.743  23.749  -4.752
  565   2HH2  ARG  81          2HH2      ARG  81  -2.601  25.471  -4.643
  566    HA   PRO  82           HA       PRO  82   2.241  21.831   3.987
  567   1HB   PRO  82          HB2       PRO  82   3.017  24.432   3.539
  568   2HB   PRO  82          HB1       PRO  82   3.841  23.028   2.839
  569   1HG   PRO  82          HG2       PRO  82   2.002  24.976   1.522
  570   2HG   PRO  82          HG1       PRO  82   3.309  24.011   0.814
  571   1HD   PRO  82          HD2       PRO  82   0.551  23.432   0.627
  572   2HD   PRO  82          HD1       PRO  82   1.878  22.310   0.254
  573    H    GLY  83           HN       GLY  83   0.641  21.918   5.589
  574   1HA   GLY  83          HA2       GLY  83  -0.202  23.556   7.284
  575   2HA   GLY  83          HA1       GLY  83  -0.732  24.555   5.930
  576    H    VAL  84           HN       VAL  84  -1.772  22.354   4.341
  577    HA   VAL  84           HA       VAL  84  -4.358  22.085   5.656
  578    HB   VAL  84           HB       VAL  84  -3.230  21.515   2.969
  579   1HG1  VAL  84          HG11      VAL  84  -5.756  20.286   4.057
  580   2HG1  VAL  84          HG12      VAL  84  -4.317  19.428   3.507
  581   3HG1  VAL  84          HG13      VAL  84  -5.308  20.317   2.351
  582   1HG2  VAL  84          HG21      VAL  84  -5.272  22.761   2.295
  583   2HG2  VAL  84          HG22      VAL  84  -4.288  23.672   3.442
  584   3HG2  VAL  84          HG23      VAL  84  -5.747  22.846   3.992
  585    H    THR  85           HN       THR  85  -5.319  20.129   6.175
  586    HA   THR  85           HA       THR  85  -3.408  17.954   6.851
  587    HB   THR  85           HB       THR  85  -6.239  18.534   7.765
  588    HG1  THR  85           HG1      THR  85  -4.760  19.801   8.795
  589   1HG2  THR  85          HG21      THR  85  -6.003  16.597   9.239
  590   2HG2  THR  85          HG22      THR  85  -4.399  16.269   8.584
  591   3HG2  THR  85          HG23      THR  85  -5.823  16.093   7.559
  592    H    TYR  86           HN       TYR  86  -3.520  15.970   5.852
  593    HA   TYR  86           HA       TYR  86  -5.667  15.638   3.801
  594   1HB   TYR  86          HB2       TYR  86  -2.795  14.801   3.944
  595   2HB   TYR  86          HB1       TYR  86  -3.918  13.800   3.022
  596    HD1  TYR  86           HD1      TYR  86  -3.466  17.494   3.549
  597    HD2  TYR  86           HD2      TYR  86  -3.876  14.267   0.745
  598    HE1  TYR  86           HE1      TYR  86  -3.373  19.113   1.672
  599    HE2  TYR  86           HE2      TYR  86  -3.783  15.885  -1.132
  600    HH   TYR  86           HH       TYR  86  -2.819  18.230  -1.489
  601    H    THR  87           HN       THR  87  -6.155  13.208   3.398
  602    HA   THR  87           HA       THR  87  -6.361  11.839   6.051
  603    HB   THR  87           HB       THR  87  -8.276  11.414   3.758
  604    HG1  THR  87           HG1      THR  87  -8.517  13.278   5.880
  605   1HG2  THR  87          HG21      THR  87  -9.769  10.742   5.624
  606   2HG2  THR  87          HG22      THR  87  -8.460  11.059   6.762
  607   3HG2  THR  87          HG23      THR  87  -8.299   9.769   5.571
  608    H    TYR  88           HN       TYR  88  -6.202   9.502   5.996
  609    HA   TYR  88           HA       TYR  88  -5.017   8.408   3.479
  610   1HB   TYR  88          HB2       TYR  88  -3.156   8.803   4.968
  611   2HB   TYR  88          HB1       TYR  88  -4.016   8.066   6.318
  612    HD1  TYR  88           HD1      TYR  88  -4.743   5.584   6.042
  613    HD2  TYR  88           HD2      TYR  88  -1.771   7.492   3.597
  614    HE1  TYR  88           HE1      TYR  88  -3.844   3.363   5.402
  615    HE2  TYR  88           HE2      TYR  88  -0.871   5.271   2.960
  616    HH   TYR  88           HH       TYR  88  -1.022   3.079   3.238
  617    H    THR  89           HN       THR  89  -6.327   6.775   2.810
  618    HA   THR  89           HA       THR  89  -7.440   4.941   4.886
  619    HB   THR  89           HB       THR  89  -8.919   6.233   2.575
  620    HG1  THR  89           HG1      THR  89  -9.745   7.363   4.121
  621   1HG2  THR  89          HG21      THR  89  -9.344   3.762   2.735
  622   2HG2  THR  89          HG22      THR  89 -10.771   4.750   3.045
  623   3HG2  THR  89          HG23      THR  89  -9.899   4.015   4.390
  624    H    ILE  90           HN       ILE  90  -7.492   2.739   4.203
  625    HA   ILE  90           HA       ILE  90  -6.879   2.124   1.380
  626    HB   ILE  90           HB       ILE  90  -4.669   2.440   2.553
  627   1HG1  ILE  90          HG12      ILE  90  -5.259  -0.410   1.690
  628   2HG1  ILE  90          HG11      ILE  90  -4.979   0.930   0.577
  629   1HG2  ILE  90          HG21      ILE  90  -4.430   1.563   4.614
  630   2HG2  ILE  90          HG22      ILE  90  -4.547  -0.051   3.911
  631   3HG2  ILE  90          HG23      ILE  90  -6.000   0.769   4.484
  632   1HD1  ILE  90          HD11      ILE  90  -2.763   0.603   0.764
  633   2HD1  ILE  90          HD12      ILE  90  -3.041  -0.701   1.918
  634   3HD1  ILE  90          HD13      ILE  90  -2.869   0.960   2.488
  635    H    TRP  91           HN       TRP  91  -7.070  -0.281   0.982
  636    HA   TRP  91           HA       TRP  91  -8.678  -1.625   3.112
  637   1HB   TRP  91          HB2       TRP  91  -9.301  -1.592   0.145
  638   2HB   TRP  91          HB1       TRP  91 -10.172  -2.525   1.359
  639    HD1  TRP  91           HD1      TRP  91  -9.089   1.189   1.062
  640    HE1  TRP  91           HE1      TRP  91 -11.093   2.658   1.749
  641    HE3  TRP  91           HE3      TRP  91 -12.521  -2.442   2.117
  642    HZ2  TRP  91           HZ2      TRP  91 -13.796   2.334   2.629
  643    HZ3  TRP  91           HZ3      TRP  91 -14.800  -1.835   2.877
  644    HH2  TRP  91           HH2      TRP  91 -15.441   0.547   3.134
  645    H    ALA  92           HN       ALA  92  -7.862  -3.602   3.574
  646    HA   ALA  92           HA       ALA  92  -6.068  -4.867   1.540
  647   1HB   ALA  92          HB1       ALA  92  -5.325  -6.112   3.797
  648   2HB   ALA  92          HB2       ALA  92  -5.909  -4.607   4.507
  649   3HB   ALA  92          HB3       ALA  92  -4.618  -4.573   3.306
  650    H    ARG  93           HN       ARG  93  -6.298  -7.124   1.192
  651    HA   ARG  93           HA       ARG  93  -8.259  -8.678   2.697
  652   1HB   ARG  93          HB2       ARG  93  -9.811  -7.435   1.291
  653   2HB   ARG  93          HB1       ARG  93  -8.871  -7.827  -0.148
  654   1HG   ARG  93          HG2       ARG  93  -9.298 -10.254   0.297
  655   2HG   ARG  93          HG1       ARG  93 -10.357  -9.782   1.626
  656   1HD   ARG  93          HD2       ARG  93 -11.970  -9.847   0.010
  657   2HD   ARG  93          HD1       ARG  93 -11.367  -8.232  -0.360
  658    HE   ARG  93           HE       ARG  93 -10.222  -9.136  -2.274
  659   1HH1  ARG  93          1HH1      ARG  93 -12.800 -10.975  -1.263
  660   2HH1  ARG  93          2HH1      ARG  93 -12.319 -12.435  -2.061
  661   1HH2  ARG  93          1HH2      ARG  93  -9.181 -11.241  -2.928
  662   2HH2  ARG  93          2HH2      ARG  93 -10.271 -12.586  -3.004
  663    H    ALA  94           HN       ALA  94  -7.358 -10.676   2.729
  664    HA   ALA  94           HA       ALA  94  -5.652 -11.460   0.405
  665   1HB   ALA  94          HB1       ALA  94  -5.511 -11.983   3.341
  666   2HB   ALA  94          HB2       ALA  94  -4.213 -11.645   2.196
  667   3HB   ALA  94          HB3       ALA  94  -4.938 -13.251   2.258
  668    H    GLU  95           HN       GLU  95  -5.852 -13.621  -0.407
  669    HA   GLU  95           HA       GLU  95  -8.464 -14.591  -0.767
  670   1HB   GLU  95          HB2       GLU  95  -5.814 -15.433  -1.454
  671   2HB   GLU  95          HB1       GLU  95  -6.698 -16.831  -0.839
  672   1HG   GLU  95          HG2       GLU  95  -8.607 -15.713  -2.413
  673   2HG   GLU  95          HG1       GLU  95  -7.157 -15.237  -3.296
  674    H    GLN  96           HN       GLN  96  -6.104 -15.393   1.751
  675    HA   GLN  96           HA       GLN  96  -8.266 -16.940   3.127
  676   1HB   GLN  96          HB2       GLN  96  -5.420 -17.557   2.635
  677   2HB   GLN  96          HB1       GLN  96  -5.956 -17.833   4.293
  678   1HG   GLN  96          HG2       GLN  96  -7.886 -19.153   3.395
  679   2HG   GLN  96          HG1       GLN  96  -7.205 -18.974   1.777
  680   1HE2  GLN  96          HE21      GLN  96  -4.592 -19.516   1.932
  681   2HE2  GLN  96          HE22      GLN  96  -4.273 -21.009   2.674
  682    H    ASP  97           HN       ASP  97  -8.595 -16.461   5.315
  683    HA   ASP  97           HA       ASP  97  -7.762 -13.864   6.222
  684   1HB   ASP  97          HB2       ASP  97  -8.833 -14.591   8.389
  685   2HB   ASP  97          HB1       ASP  97  -9.881 -14.745   6.979
  686    H    GLY  98           HN       GLY  98  -6.583 -13.530   8.326
  687   1HA   GLY  98          HA2       GLY  98  -4.891 -14.129   9.903
  688   2HA   GLY  98          HA1       GLY  98  -4.717 -15.684   9.087
  689    H    ALA  99           HN       ALA  99  -4.566 -12.390   7.718
  690    HA   ALA  99           HA       ALA  99  -1.748 -13.000   6.920
  691   1HB   ALA  99          HB1       ALA  99  -2.481 -11.244   5.023
  692   2HB   ALA  99          HB2       ALA  99  -4.053 -11.981   5.333
  693   3HB   ALA  99          HB3       ALA  99  -2.693 -12.983   4.826
  694    H    VAL 100           HN       VAL 100  -0.286 -11.311   7.188
  695    HA   VAL 100           HA       VAL 100  -1.400  -8.900   8.563
  696    HB   VAL 100           HB       VAL 100   1.228 -10.347   8.887
  697   1HG1  VAL 100          HG11      VAL 100   1.158  -8.296  10.753
  698   2HG1  VAL 100          HG12      VAL 100   0.560  -7.523   9.285
  699   3HG1  VAL 100          HG13      VAL 100   2.137  -8.312   9.285
  700   1HG2  VAL 100          HG21      VAL 100  -0.963 -11.032  10.070
  701   2HG2  VAL 100          HG22      VAL 100  -0.796  -9.525  10.974
  702   3HG2  VAL 100          HG23      VAL 100   0.452 -10.765  11.092
  703    H    VAL 101           HN       VAL 101  -0.649  -6.859   7.969
  704    HA   VAL 101           HA       VAL 101   1.374  -6.664   5.810
  705    HB   VAL 101           HB       VAL 101  -1.426  -5.519   5.553
  706   1HG1  VAL 101          HG11      VAL 101   0.211  -4.030   4.550
  707   2HG1  VAL 101          HG12      VAL 101  -0.598  -4.911   3.254
  708   3HG1  VAL 101          HG13      VAL 101   1.021  -5.386   3.765
  709   1HG2  VAL 101          HG21      VAL 101  -0.049  -7.614   3.856
  710   2HG2  VAL 101          HG22      VAL 101  -1.742  -7.123   3.790
  711   3HG2  VAL 101          HG23      VAL 101  -1.136  -8.017   5.186
  712    H    SER 102           HN       SER 102   2.007  -4.335   5.462
  713    HA   SER 102           HA       SER 102   1.438  -2.693   7.899
  714   1HB   SER 102          HB2       SER 102   4.086  -2.983   6.463
  715   2HB   SER 102          HB1       SER 102   3.782  -1.929   7.838
  716    HG   SER 102           HG       SER 102   3.733  -4.757   7.713
  717    H    PHE 103           HN       PHE 103   0.824  -0.604   7.455
  718    HA   PHE 103           HA       PHE 103   1.347   0.416   4.690
  719   1HB   PHE 103          HB2       PHE 103  -1.135   1.178   6.202
  720   2HB   PHE 103          HB1       PHE 103  -0.849   1.185   4.462
  721    HD1  PHE 103           HD1      PHE 103  -0.986  -1.194   7.363
  722    HD2  PHE 103           HD2      PHE 103  -1.677  -0.571   3.171
  723    HE1  PHE 103           HE1      PHE 103  -1.972  -3.463   7.189
  724    HE2  PHE 103           HE2      PHE 103  -2.666  -2.837   2.996
  725    HZ   PHE 103           HZ       PHE 103  -2.813  -4.285   5.005
  726    H    THR 104           HN       THR 104   2.916   1.951   5.135
  727    HA   THR 104           HA       THR 104   2.241   3.957   7.243
  728    HB   THR 104           HB       THR 104   4.757   4.298   7.379
  729    HG1  THR 104           HG1      THR 104   4.879   2.938   5.313
  730   1HG2  THR 104          HG21      THR 104   5.042   2.223   8.762
  731   2HG2  THR 104          HG22      THR 104   3.491   1.665   8.129
  732   3HG2  THR 104          HG23      THR 104   3.570   3.132   9.110
  733    H    VAL 105           HN       VAL 105   3.359   6.083   6.830
  734    HA   VAL 105           HA       VAL 105   3.461   6.688   3.919
  735    HB   VAL 105           HB       VAL 105   2.691   9.019   5.245
  736   1HG1  VAL 105          HG11      VAL 105   0.893   8.885   3.792
  737   2HG1  VAL 105          HG12      VAL 105   0.673   7.159   4.081
  738   3HG1  VAL 105          HG13      VAL 105   1.985   7.716   3.041
  739   1HG2  VAL 105          HG21      VAL 105   0.737   8.350   6.555
  740   2HG2  VAL 105          HG22      VAL 105   2.176   7.585   7.232
  741   3HG2  VAL 105          HG23      VAL 105   1.070   6.650   6.227
  742    H    GLY 106           HN       GLY 106   4.931   8.399   3.330
  743   1HA   GLY 106          HA2       GLY 106   6.512   9.895   5.159
  744   2HA   GLY 106          HA1       GLY 106   7.399   8.425   4.754
  745    H    ASN 107           HN       ASN 107   7.968  11.275   4.023
  746    HA   ASN 107           HA       ASN 107   7.559  11.250   1.094
  747   1HB   ASN 107          HB2       ASN 107   8.063  13.518   1.107
  748   2HB   ASN 107          HB1       ASN 107   7.377  13.321   2.717
  749   1HD2  ASN 107          HD21      ASN 107   9.320  12.436   4.327
  750   2HD2  ASN 107          HD22      ASN 107  10.715  13.400   4.259
  751    H    GLN 108           HN       GLN 108   9.833  12.401   0.112
  752    HA   GLN 108           HA       GLN 108  11.621  10.198  -0.117
  753   1HB   GLN 108          HB2       GLN 108  12.299  13.100  -0.651
  754   2HB   GLN 108          HB1       GLN 108  13.031  11.677  -1.393
  755   1HG   GLN 108          HG2       GLN 108  11.506  11.940  -3.043
  756   2HG   GLN 108          HG1       GLN 108  10.329  11.315  -1.888
  757   1HE2  GLN 108          HE21      GLN 108   8.965  12.892  -3.409
  758   2HE2  GLN 108          HE22      GLN 108   8.815  14.486  -2.846
  759    H    SER 109           HN       SER 109  11.551  12.842   2.174
  760    HA   SER 109           HA       SER 109  14.289  12.452   3.056
  761   1HB   SER 109          HB2       SER 109  12.199  14.359   3.510
  762   2HB   SER 109          HB1       SER 109  12.772  13.767   5.067
  763    HG   SER 109           HG       SER 109  13.940  15.595   4.032
  764    H    PHE 110           HN       PHE 110  11.850  10.386   3.264
  765    HA   PHE 110           HA       PHE 110  11.514   8.513   4.644
  766   1HB   PHE 110          HB2       PHE 110  13.696   9.604   6.431
  767   2HB   PHE 110          HB1       PHE 110  13.172   7.929   6.256
  768    HD1  PHE 110           HD1      PHE 110  12.843   8.274   3.123
  769    HD2  PHE 110           HD2      PHE 110  16.038   9.008   5.900
  770    HE1  PHE 110           HE1      PHE 110  14.498   7.943   1.307
  771    HE2  PHE 110           HE2      PHE 110  17.693   8.678   4.083
  772    HZ   PHE 110           HZ       PHE 110  16.923   8.145   1.786
  773    H    GLN 111           HN       GLN 111  10.941  11.651   5.406
  774    HA   GLN 111           HA       GLN 111  10.215  11.465   8.197
  775   1HB   GLN 111          HB2       GLN 111   9.121  13.356   6.090
  776   2HB   GLN 111          HB1       GLN 111   9.076  13.589   7.838
  777   1HG   GLN 111          HG2       GLN 111  11.716  13.147   6.477
  778   2HG   GLN 111          HG1       GLN 111  10.970  14.745   6.428
  779   1HE2  GLN 111          HE21      GLN 111  11.403  16.061   8.207
  780   2HE2  GLN 111          HE22      GLN 111  11.937  15.505   9.720
  781    H    GLU 112           HN       GLU 112   8.764   9.863   8.722
  782    HA   GLU 112           HA       GLU 112   6.468   9.331   6.951
  783   1HB   GLU 112          HB2       GLU 112   7.329   7.327   7.803
  784   2HB   GLU 112          HB1       GLU 112   7.628   8.020   9.397
  785   1HG   GLU 112          HG2       GLU 112   5.372   7.888  10.020
  786   2HG   GLU 112          HG1       GLU 112   4.815   7.808   8.349
  787    H    TYR 113           HN       TYR 113   4.315   9.730   7.518
  788    HA   TYR 113           HA       TYR 113   3.945  11.576   9.838
  789   1HB   TYR 113          HB2       TYR 113   1.950  11.216   7.609
  790   2HB   TYR 113          HB1       TYR 113   2.193  12.611   8.660
  791    HD1  TYR 113           HD1      TYR 113   4.274  14.011   8.401
  792    HD2  TYR 113           HD2      TYR 113   3.168  10.971   5.574
  793    HE1  TYR 113           HE1      TYR 113   5.811  15.010   6.729
  794    HE2  TYR 113           HE2      TYR 113   4.706  11.968   3.903
  795    HH   TYR 113           HH       TYR 113   6.080  15.058   4.282
  796    H    GLY 114           HN       GLY 114   1.797   9.374   8.009
  797   1HA   GLY 114          HA2       GLY 114   0.496   8.585  10.534
  798   2HA   GLY 114          HA1       GLY 114  -0.007   8.097   8.914
  799    H    ARG 115           HN       ARG 115   0.217   6.207  11.007
  800    HA   ARG 115           HA       ARG 115   2.171   4.386   9.793
  801   1HB   ARG 115          HB2       ARG 115   3.487   3.992  11.756
  802   2HB   ARG 115          HB1       ARG 115   3.446   5.741  11.529
  803   1HG   ARG 115          HG2       ARG 115   1.414   5.731  13.103
  804   2HG   ARG 115          HG1       ARG 115   1.885   4.081  13.512
  805   1HD   ARG 115          HD2       ARG 115   3.399   6.642  13.988
  806   2HD   ARG 115          HD1       ARG 115   2.995   5.368  15.139
  807    HE   ARG 115           HE       ARG 115   4.970   4.911  12.940
  808   1HH1  ARG 115          HH11      ARG 115   4.077   2.720  14.859
  809   2HH1  ARG 115          HH12      ARG 115   5.376   2.727  16.005
  810   1HH2  ARG 115          HH21      ARG 115   6.593   5.815  15.004
  811   2HH2  ARG 115          HH22      ARG 115   6.800   4.479  16.087
  812    H    LEU 116           HN       LEU 116   0.975   2.573   9.571
  813    HA   LEU 116           HA       LEU 116  -0.465   1.506  11.925
  814   1HB   LEU 116          HB2       LEU 116  -2.323   0.956  10.023
  815   2HB   LEU 116          HB1       LEU 116  -2.419   2.360  11.087
  816    HG   LEU 116           HG       LEU 116  -0.767   2.696   8.646
  817   1HD1  LEU 116          HD11      LEU 116  -2.492   1.588   7.501
  818   2HD1  LEU 116          HD12      LEU 116  -3.007   3.273   7.433
  819   3HD1  LEU 116          HD13      LEU 116  -3.733   2.176   8.607
  820   1HD2  LEU 116          HD21      LEU 116  -1.668   4.920   8.748
  821   2HD2  LEU 116          HD22      LEU 116  -1.312   4.452  10.411
  822   3HD2  LEU 116          HD23      LEU 116  -2.973   4.409   9.818
  823    H    HIS 117           HN       HIS 117   1.359  -0.019  11.735
  824    HA   HIS 117           HA       HIS 117   0.895  -2.001   9.546
  825   1HB   HIS 117          HB2       HIS 117   3.349  -2.485   9.658
  826   2HB   HIS 117          HB1       HIS 117   2.992  -0.846   9.114
  827    HD1  HIS 117           HD1      HIS 117   3.022   1.016  11.143
  828    HD2  HIS 117           HD2      HIS 117   5.047  -2.560  11.841
  829    HE1  HIS 117           HE1      HIS 117   4.593   1.449  13.081
  830    H    GLU 118           HN       GLU 118   1.708  -4.224  10.157
  831    HA   GLU 118           HA       GLU 118   1.927  -6.007  11.690
  832   1HB   GLU 118          HB2       GLU 118   3.074  -4.027  13.083
  833   2HB   GLU 118          HB1       GLU 118   1.614  -4.213  14.056
  834   1HG   GLU 118          HG2       GLU 118   2.105  -6.458  14.585
  835   2HG   GLU 118          HG1       GLU 118   3.255  -6.612  13.256
  836    H    GLN 119           HN       GLN 119  -0.460  -5.727  10.592
  837    HA   GLN 119           HA       GLN 119  -2.334  -6.137  12.871
  838   1HB   GLN 119          HB2       GLN 119  -3.112  -4.634  10.363
  839   2HB   GLN 119          HB1       GLN 119  -4.041  -4.803  11.853
  840   1HG   GLN 119          HG2       GLN 119  -1.913  -3.683  12.945
  841   2HG   GLN 119          HG1       GLN 119  -1.637  -3.097  11.305
  842   1HE2  GLN 119          HE21      GLN 119  -3.780  -2.857  14.101
  843   2HE2  GLN 119          HE22      GLN 119  -4.698  -1.555  13.514
  844    H    GLN 120           HN       GLN 120  -3.872  -7.743  12.501
  845    HA   GLN 120           HA       GLN 120  -3.278  -9.642  10.376
  846   1HB   GLN 120          HB2       GLN 120  -5.709  -9.666  12.177
  847   2HB   GLN 120          HB1       GLN 120  -4.917 -11.040  11.405
  848   1HG   GLN 120          HG2       GLN 120  -2.885 -10.604  12.778
  849   2HG   GLN 120          HG1       GLN 120  -3.747  -9.300  13.596
  850   1HE2  GLN 120          HE21      GLN 120  -3.140 -12.673  13.665
  851   2HE2  GLN 120          HE22      GLN 120  -4.334 -13.099  14.793
  852    H    ILE 121           HN       ILE 121  -4.864 -10.316   8.738
  853    HA   ILE 121           HA       ILE 121  -6.899  -8.220   8.124
  854    HB   ILE 121           HB       ILE 121  -5.231  -9.581   6.019
  855   1HG1  ILE 121          HG12      ILE 121  -3.779  -8.288   7.612
  856   2HG1  ILE 121          HG11      ILE 121  -3.785  -7.621   5.979
  857   1HG2  ILE 121          HG21      ILE 121  -6.574  -8.439   4.620
  858   2HG2  ILE 121          HG22      ILE 121  -6.134  -6.923   5.408
  859   3HG2  ILE 121          HG23      ILE 121  -7.499  -7.866   6.008
  860   1HD1  ILE 121          HD11      ILE 121  -5.212  -5.835   6.589
  861   2HD1  ILE 121          HD12      ILE 121  -4.083  -5.961   7.937
  862   3HD1  ILE 121          HD13      ILE 121  -5.708  -6.630   8.083
  863    H    THR 122           HN       THR 122  -8.827  -9.024   7.397
  864    HA   THR 122           HA       THR 122  -9.261 -11.905   7.563
  865    HB   THR 122           HB       THR 122 -11.617 -10.931   6.661
  866    HG1  THR 122           HG1      THR 122 -11.680  -8.842   7.900
  867   1HG2  THR 122          HG21      THR 122 -11.284 -12.136   8.731
  868   2HG2  THR 122          HG22      THR 122 -12.187 -10.656   9.071
  869   3HG2  THR 122          HG23      THR 122 -10.463 -10.744   9.443
  870    H    THR 123           HN       THR 123 -10.892 -12.702   5.724
  871    HA   THR 123           HA       THR 123  -9.314 -12.661   3.258
  872    HB   THR 123           HB       THR 123 -11.003 -14.253   2.425
  873    HG1  THR 123           HG1      THR 123 -12.823 -13.326   3.381
  874   1HG2  THR 123          HG21      THR 123 -10.898 -15.800   4.608
  875   2HG2  THR 123          HG22      THR 123  -9.730 -14.573   5.099
  876   3HG2  THR 123          HG23      THR 123  -9.474 -15.491   3.614
  877    H    GLU 124           HN       GLU 124 -11.395 -10.471   4.509
  878    HA   GLU 124           HA       GLU 124 -12.549  -9.779   1.838
  879   1HB   GLU 124          HB2       GLU 124 -13.474  -8.783   4.547
  880   2HB   GLU 124          HB1       GLU 124 -14.306  -8.607   3.001
  881   1HG   GLU 124          HG2       GLU 124 -14.564 -11.056   2.855
  882   2HG   GLU 124          HG1       GLU 124 -13.733 -11.236   4.401
  883    H    TRP 125           HN       TRP 125 -13.096  -7.117   2.221
  884    HA   TRP 125           HA       TRP 125 -10.363  -5.977   2.305
  885   1HB   TRP 125          HB2       TRP 125 -12.994  -4.721   1.467
  886   2HB   TRP 125          HB1       TRP 125 -11.399  -3.994   1.277
  887    HD1  TRP 125           HD1      TRP 125 -13.787  -6.356  -0.348
  888    HE1  TRP 125           HE1      TRP 125 -12.731  -7.351  -2.479
  889    HE3  TRP 125           HE3      TRP 125  -8.958  -4.810   0.258
  890    HZ2  TRP 125           HZ2      TRP 125 -10.174  -7.476  -3.757
  891    HZ3  TRP 125           HZ3      TRP 125  -7.235  -5.380  -1.430
  892    HH2  TRP 125           HH2      TRP 125  -7.836  -6.710  -3.434
  893    H    GLN 126           HN       GLN 126  -9.667  -4.837   4.052
  894    HA   GLN 126           HA       GLN 126 -11.705  -4.031   6.076
  895   1HB   GLN 126          HB2       GLN 126  -9.078  -5.244   6.250
  896   2HB   GLN 126          HB1       GLN 126  -9.133  -3.744   7.177
  897   1HG   GLN 126          HG2       GLN 126 -11.125  -4.514   8.369
  898   2HG   GLN 126          HG1       GLN 126 -11.161  -5.987   7.399
  899   1HE2  GLN 126          HE21      GLN 126 -10.873  -7.275   9.403
  900   2HE2  GLN 126          HE22      GLN 126  -9.347  -7.376  10.141
  901    HA   PRO 127           HA       PRO 127 -10.666   0.084   4.692
  902   1HB   PRO 127          HB2       PRO 127 -12.610   1.322   6.186
  903   2HB   PRO 127          HB1       PRO 127 -12.930   0.509   4.644
  904   1HG   PRO 127          HG2       PRO 127 -13.573  -0.396   7.411
  905   2HG   PRO 127          HG1       PRO 127 -14.368  -0.807   5.883
  906   1HD   PRO 127          HD2       PRO 127 -12.533  -2.439   7.299
  907   2HD   PRO 127          HD1       PRO 127 -13.098  -2.694   5.633
  908    H    PHE 128           HN       PHE 128  -8.685   0.607   5.695
  909    HA   PHE 128           HA       PHE 128  -8.818   1.354   8.585
  910   1HB   PHE 128          HB2       PHE 128  -6.863  -0.148   7.004
  911   2HB   PHE 128          HB1       PHE 128  -6.142   1.195   7.884
  912    HD1  PHE 128           HD1      PHE 128  -6.865   1.456  10.395
  913    HD2  PHE 128           HD2      PHE 128  -7.273  -2.165   8.120
  914    HE1  PHE 128           HE1      PHE 128  -6.992   0.148  12.499
  915    HE2  PHE 128           HE2      PHE 128  -7.401  -3.472  10.223
  916    HZ   PHE 128           HZ       PHE 128  -7.260  -2.317  12.412
  917    H    THR 129           HN       THR 129  -8.326   3.488   9.051
  918    HA   THR 129           HA       THR 129  -6.875   5.086   7.046
  919    HB   THR 129           HB       THR 129  -9.286   5.226   6.403
  920    HG1  THR 129           HG1      THR 129  -9.271   7.618   6.585
  921   1HG2  THR 129          HG21      THR 129 -10.108   5.074   8.786
  922   2HG2  THR 129          HG22      THR 129 -10.845   6.368   7.839
  923   3HG2  THR 129          HG23      THR 129  -9.565   6.739   8.996
  924    H    PHE 130           HN       PHE 130  -6.861   7.421   7.831
  925    HA   PHE 130           HA       PHE 130  -7.076   7.967  10.656
  926   1HB   PHE 130          HB2       PHE 130  -4.731   8.039  11.266
  927   2HB   PHE 130          HB1       PHE 130  -5.091   6.427  10.649
  928    HD1  PHE 130           HD1      PHE 130  -3.600   9.718   9.771
  929    HD2  PHE 130           HD2      PHE 130  -4.058   5.595   8.669
  930    HE1  PHE 130           HE1      PHE 130  -1.840   9.985   8.045
  931    HE2  PHE 130           HE2      PHE 130  -2.292   5.859   6.947
  932    HZ   PHE 130           HZ       PHE 130  -1.186   8.055   6.633
  933    H    GLU 131           HN       GLU 131  -5.421  10.045  11.042
  934    HA   GLU 131           HA       GLU 131  -5.715  11.755   8.606
  935   1HB   GLU 131          HB2       GLU 131  -6.281  12.615  11.459
  936   2HB   GLU 131          HB1       GLU 131  -6.464  13.604  10.009
  937   1HG   GLU 131          HG2       GLU 131  -8.093  11.823   9.168
  938   2HG   GLU 131          HG1       GLU 131  -8.068  11.168  10.805
  939    H    PHE 132           HN       PHE 132  -4.133  13.412   8.394
  940    HA   PHE 132           HA       PHE 132  -2.079  13.822  10.409
  941   1HB   PHE 132          HB2       PHE 132  -1.704  11.760   8.379
  942   2HB   PHE 132          HB1       PHE 132  -0.455  13.001   8.293
  943    HD1  PHE 132           HD1      PHE 132   1.053  13.416  10.177
  944    HD2  PHE 132           HD2      PHE 132  -1.969  10.370  10.372
  945    HE1  PHE 132           HE1      PHE 132   2.153  12.452  12.180
  946    HE2  PHE 132           HE2      PHE 132  -0.870   9.407  12.375
  947    HZ   PHE 132           HZ       PHE 132   1.191  10.448  13.279
  948    H    THR 133           HN       THR 133  -0.328  15.314   9.469
  949    HA   THR 133           HA       THR 133  -1.305  16.810   7.091
  950    HB   THR 133           HB       THR 133  -1.762  17.710   9.677
  951    HG1  THR 133           HG1      THR 133  -2.560  19.391   8.608
  952   1HG2  THR 133          HG21      THR 133   0.626  18.160  10.014
  953   2HG2  THR 133          HG22      THR 133  -0.270  19.676   9.920
  954   3HG2  THR 133          HG23      THR 133   0.668  19.119   8.534
  955    H    VAL 134           HN       VAL 134   0.358  17.857   5.933
  956    HA   VAL 134           HA       VAL 134   2.857  16.756   5.687
  957    HB   VAL 134           HB       VAL 134   2.423  19.750   5.565
  958   1HG1  VAL 134          HG11      VAL 134   4.693  18.339   5.146
  959   2HG1  VAL 134          HG12      VAL 134   4.298  19.804   4.245
  960   3HG1  VAL 134          HG13      VAL 134   3.970  18.219   3.541
  961   1HG2  VAL 134          HG21      VAL 134   0.574  18.824   4.372
  962   2HG2  VAL 134          HG22      VAL 134   1.567  17.540   3.684
  963   3HG2  VAL 134          HG23      VAL 134   1.779  19.205   3.142
  964    H    SER 135           HN       SER 135   4.231  16.261   7.344
  965    HA   SER 135           HA       SER 135   4.368  17.665   9.828
  966   1HB   SER 135          HB2       SER 135   5.632  15.395   8.627
  967   2HB   SER 135          HB1       SER 135   6.889  16.436   9.290
  968    HG   SER 135           HG       SER 135   6.236  15.941  11.224
  969    H    ASP 136           HN       ASP 136   6.635  17.691   7.061
  970    HA   ASP 136           HA       ASP 136   7.733  20.255   8.105
  971   1HB   ASP 136          HB2       ASP 136   8.807  18.121   6.281
  972   2HB   ASP 136          HB1       ASP 136   9.484  19.750   6.236
  973    H    GLN 137           HN       GLN 137   8.034  19.367   4.782
  974    HA   GLN 137           HA       GLN 137   5.793  21.035   3.893
  975   1HB   GLN 137          HB2       GLN 137   8.602  21.886   3.145
  976   2HB   GLN 137          HB1       GLN 137   7.092  22.735   2.809
  977   1HG   GLN 137          HG2       GLN 137   6.744  23.028   5.257
  978   2HG   GLN 137          HG1       GLN 137   8.305  22.260   5.547
  979   1HE2  GLN 137          HE21      GLN 137   8.843  24.461   6.556
  980   2HE2  GLN 137          HE22      GLN 137   9.378  25.697   5.523
  981    H    GLU 138           HN       GLU 138   6.057  18.402   3.370
  982    HA   GLU 138           HA       GLU 138   7.463  18.100   0.777
  983   1HB   GLU 138          HB2       GLU 138   5.831  15.977   2.167
  984   2HB   GLU 138          HB1       GLU 138   7.178  15.768   1.047
  985   1HG   GLU 138          HG2       GLU 138   7.418  17.015   3.800
  986   2HG   GLU 138          HG1       GLU 138   7.823  15.340   3.423
  987    H    THR 139           HN       THR 139   6.337  18.730  -0.994
  988    HA   THR 139           HA       THR 139   3.412  18.840  -0.971
  989    HB   THR 139           HB       THR 139   3.859  19.404  -3.479
  990    HG1  THR 139           HG1      THR 139   5.878  19.549  -4.057
  991   1HG2  THR 139          HG21      THR 139   5.053  21.193  -1.347
  992   2HG2  THR 139          HG22      THR 139   3.322  21.030  -1.644
  993   3HG2  THR 139          HG23      THR 139   4.373  21.699  -2.894
  994    H    VAL 140           HN       VAL 140   5.705  16.441  -1.500
  995    HA   VAL 140           HA       VAL 140   3.654  14.746  -2.831
  996    HB   VAL 140           HB       VAL 140   6.532  15.116  -3.691
  997   1HG1  VAL 140          HG11      VAL 140   6.041  12.696  -3.455
  998   2HG1  VAL 140          HG12      VAL 140   6.224  13.158  -5.147
  999   3HG1  VAL 140          HG13      VAL 140   4.615  12.896  -4.474
 1000   1HG2  VAL 140          HG21      VAL 140   3.825  15.321  -5.032
 1001   2HG2  VAL 140          HG22      VAL 140   5.334  15.260  -5.943
 1002   3HG2  VAL 140          HG23      VAL 140   5.029  16.594  -4.830
 1003    H    ILE 141           HN       ILE 141   3.527  12.732  -1.884
 1004    HA   ILE 141           HA       ILE 141   5.814  11.827  -0.215
 1005    HB   ILE 141           HB       ILE 141   4.035  11.114   1.525
 1006   1HG1  ILE 141          HG12      ILE 141   2.384  13.405   1.077
 1007   2HG1  ILE 141          HG11      ILE 141   2.393  12.442  -0.401
 1008   1HG2  ILE 141          HG21      ILE 141   5.055  13.895   1.019
 1009   2HG2  ILE 141          HG22      ILE 141   5.574  12.722   2.229
 1010   3HG2  ILE 141          HG23      ILE 141   4.038  13.567   2.422
 1011   1HD1  ILE 141          HD11      ILE 141   2.060  10.419   1.232
 1012   2HD1  ILE 141          HD12      ILE 141   0.674  11.429   0.818
 1013   3HD1  ILE 141          HD13      ILE 141   1.501  11.656   2.359
 1014    H    ARG 142           HN       ARG 142   5.332   9.518   0.596
 1015    HA   ARG 142           HA       ARG 142   3.566   7.985  -1.215
 1016   1HB   ARG 142          HB2       ARG 142   5.318   6.555  -2.042
 1017   2HB   ARG 142          HB1       ARG 142   5.833   8.216  -2.335
 1018   1HG   ARG 142          HG2       ARG 142   6.774   7.724   0.222
 1019   2HG   ARG 142          HG1       ARG 142   7.023   6.180  -0.594
 1020   1HD   ARG 142          HD2       ARG 142   7.854   8.798  -1.851
 1021   2HD   ARG 142          HD1       ARG 142   8.925   7.899  -0.776
 1022    HE   ARG 142           HE       ARG 142   7.821   6.288  -2.956
 1023   1HH1  ARG 142          HH11      ARG 142   9.672   8.970  -3.283
 1024   2HH1  ARG 142          HH12      ARG 142  11.118   8.172  -3.807
 1025   1HH2  ARG 142          HH21      ARG 142   9.964   4.996  -3.028
 1026   2HH2  ARG 142          HH22      ARG 142  11.283   5.922  -3.663
 1027    H    ALA 143           HN       ALA 143   2.699   6.266  -0.126
 1028    HA   ALA 143           HA       ALA 143   3.658   5.770   2.629
 1029   1HB   ALA 143          HB1       ALA 143   1.280   6.103   2.433
 1030   2HB   ALA 143          HB2       ALA 143   1.538   4.389   2.760
 1031   3HB   ALA 143          HB3       ALA 143   1.174   4.928   1.121
 1032    HA   PRO 144           HA       PRO 144   5.681   2.190   0.809
 1033   1HB   PRO 144          HB2       PRO 144   7.330   1.774   2.972
 1034   2HB   PRO 144          HB1       PRO 144   7.681   2.932   1.677
 1035   1HG   PRO 144          HG2       PRO 144   6.724   3.455   4.456
 1036   2HG   PRO 144          HG1       PRO 144   7.683   4.491   3.385
 1037   1HD   PRO 144          HD2       PRO 144   4.924   4.767   3.889
 1038   2HD   PRO 144          HD1       PRO 144   5.813   5.526   2.554
 1039    H    ILE 145           HN       ILE 145   4.298   0.454   0.887
 1040    HA   ILE 145           HA       ILE 145   3.198  -0.446   3.481
 1041    HB   ILE 145           HB       ILE 145   2.678  -1.831   0.864
 1042   1HG1  ILE 145          HG12      ILE 145   2.486   0.487   0.211
 1043   2HG1  ILE 145          HG11      ILE 145   0.849  -0.111   0.475
 1044   1HG2  ILE 145          HG21      ILE 145   0.372  -1.913   1.869
 1045   2HG2  ILE 145          HG22      ILE 145   1.027  -1.125   3.306
 1046   3HG2  ILE 145          HG23      ILE 145   1.599  -2.729   2.842
 1047   1HD1  ILE 145          HD11      ILE 145   2.448   1.307   2.615
 1048   2HD1  ILE 145          HD12      ILE 145   0.723   0.939   2.626
 1049   3HD1  ILE 145          HD13      ILE 145   1.360   2.150   1.513
 1050    H    HIS 146           HN       HIS 146   4.092  -2.183   4.559
 1051    HA   HIS 146           HA       HIS 146   6.425  -3.479   3.312
 1052   1HB   HIS 146          HB2       HIS 146   5.320  -4.022   6.070
 1053   2HB   HIS 146          HB1       HIS 146   6.954  -4.312   5.480
 1054    HD1  HIS 146           HD1      HIS 146   4.604  -1.341   5.992
 1055    HD2  HIS 146           HD2      HIS 146   8.679  -2.218   5.993
 1056    HE1  HIS 146           HE1      HIS 146   5.791   0.783   6.671
 1057    H    PHE 147           HN       PHE 147   6.682  -5.776   3.290
 1058    HA   PHE 147           HA       PHE 147   4.393  -7.538   3.700
 1059   1HB   PHE 147          HB2       PHE 147   5.326  -6.791   0.917
 1060   2HB   PHE 147          HB1       PHE 147   4.506  -8.316   1.246
 1061    HD1  PHE 147           HD1      PHE 147   2.175  -8.328   2.114
 1062    HD2  PHE 147           HD2      PHE 147   4.142  -4.696   0.935
 1063    HE1  PHE 147           HE1      PHE 147  -0.015  -7.167   2.035
 1064    HE2  PHE 147           HE2      PHE 147   1.952  -3.536   0.856
 1065    HZ   PHE 147           HZ       PHE 147  -0.126  -4.771   1.406
 1066    H    GLY 148           HN       GLY 148   5.077  -9.795   3.421
 1067   1HA   GLY 148          HA2       GLY 148   6.856 -11.403   2.820
 1068   2HA   GLY 148          HA1       GLY 148   8.032 -10.129   3.149
 1069    H    TYR 149           HN       TYR 149   5.257 -11.450   4.973
 1070    HA   TYR 149           HA       TYR 149   7.139 -11.964   7.244
 1071   1HB   TYR 149          HB2       TYR 149   4.299 -10.911   7.438
 1072   2HB   TYR 149          HB1       TYR 149   5.372 -11.256   8.794
 1073    HD1  TYR 149           HD1      TYR 149   7.761 -10.081   8.637
 1074    HD2  TYR 149           HD2      TYR 149   4.211  -8.726   6.633
 1075    HE1  TYR 149           HE1      TYR 149   8.736  -7.809   8.445
 1076    HE2  TYR 149           HE2      TYR 149   5.187  -6.454   6.441
 1077    HH   TYR 149           HH       TYR 149   6.939  -5.096   7.693
 1078    H    ALA 150           HN       ALA 150   6.489 -13.690   8.634
 1079    HA   ALA 150           HA       ALA 150   5.468 -15.972   7.245
 1080   1HB   ALA 150          HB1       ALA 150   5.265 -16.155  10.140
 1081   2HB   ALA 150          HB2       ALA 150   6.800 -15.439   9.641
 1082   3HB   ALA 150          HB3       ALA 150   6.331 -17.031   9.039
 1083    H    ALA 151           HN       ALA 151   3.981 -13.522   9.264
 1084    HA   ALA 151           HA       ALA 151   1.490 -14.930   9.715
 1085   1HB   ALA 151          HB1       ALA 151   2.429 -12.887  10.978
 1086   2HB   ALA 151          HB2       ALA 151   0.703 -12.890  10.616
 1087   3HB   ALA 151          HB3       ALA 151   1.811 -11.937   9.628
 1088    H    ASN 152           HN       ASN 152   2.886 -13.482   7.000
 1089    HA   ASN 152           HA       ASN 152   0.216 -13.285   5.669
 1090   1HB   ASN 152          HB2       ASN 152   2.040 -11.252   5.918
 1091   2HB   ASN 152          HB1       ASN 152   2.519 -11.958   4.373
 1092   1HD2  ASN 152          HD21      ASN 152   1.571  -9.603   3.809
 1093   2HD2  ASN 152          HD22      ASN 152  -0.069  -9.590   3.373
 1094    H    VAL 153           HN       VAL 153   2.603 -15.338   6.103
 1095    HA   VAL 153           HA       VAL 153   3.345 -15.975   3.355
 1096    HB   VAL 153           HB       VAL 153   3.936 -16.995   6.093
 1097   1HG1  VAL 153          HG11      VAL 153   4.998 -19.015   5.165
 1098   2HG1  VAL 153          HG12      VAL 153   4.345 -18.624   3.574
 1099   3HG1  VAL 153          HG13      VAL 153   3.255 -19.022   4.902
 1100   1HG2  VAL 153          HG21      VAL 153   6.225 -16.803   5.274
 1101   2HG2  VAL 153          HG22      VAL 153   5.342 -15.325   4.891
 1102   3HG2  VAL 153          HG23      VAL 153   5.644 -16.524   3.632
 1103    H    GLY 154           HN       GLY 154   2.860 -18.129   2.420
 1104   1HA   GLY 154          HA2       GLY 154   1.305 -19.722   1.691
 1105   2HA   GLY 154          HA1       GLY 154   0.918 -19.929   3.399
 1106    H    ASN 155           HN       ASN 155   0.512 -16.910   1.595
 1107    HA   ASN 155           HA       ASN 155  -2.362 -17.332   1.257
 1108   1HB   ASN 155          HB2       ASN 155  -1.264 -15.867   3.587
 1109   2HB   ASN 155          HB1       ASN 155  -2.573 -15.056   2.726
 1110   1HD2  ASN 155          HD21      ASN 155  -3.444 -15.729   5.128
 1111   2HD2  ASN 155          HD22      ASN 155  -4.331 -17.176   5.147
 1112    H    THR 156           HN       THR 156  -3.238 -15.843  -0.195
 1113    HA   THR 156           HA       THR 156  -1.279 -14.105  -1.570
 1114    HB   THR 156           HB       THR 156  -4.178 -14.737  -2.221
 1115    HG1  THR 156           HG1      THR 156  -2.904 -16.543  -2.454
 1116   1HG2  THR 156          HG21      THR 156  -3.052 -12.546  -3.077
 1117   2HG2  THR 156          HG22      THR 156  -3.887 -13.579  -4.238
 1118   3HG2  THR 156          HG23      THR 156  -2.128 -13.627  -4.121
 1119    H    ILE 157           HN       ILE 157  -1.176 -11.940  -1.101
 1120    HA   ILE 157           HA       ILE 157  -3.396 -10.805   0.526
 1121    HB   ILE 157           HB       ILE 157  -0.769  -9.417   0.060
 1122   1HG1  ILE 157          HG12      ILE 157  -0.858 -11.040   2.488
 1123   2HG1  ILE 157          HG11      ILE 157  -0.894 -12.031   1.031
 1124   1HG2  ILE 157          HG21      ILE 157  -1.611  -8.037   1.623
 1125   2HG2  ILE 157          HG22      ILE 157  -1.811  -9.385   2.742
 1126   3HG2  ILE 157          HG23      ILE 157  -3.102  -8.978   1.613
 1127   1HD1  ILE 157          HD11      ILE 157   1.134  -9.854   1.626
 1128   2HD1  ILE 157          HD12      ILE 157   1.096 -10.854   0.173
 1129   3HD1  ILE 157          HD13      ILE 157   1.430 -11.591   1.740
 1130    H    TYR 158           HN       TYR 158  -4.829  -9.575  -0.550
 1131    HA   TYR 158           HA       TYR 158  -3.986  -8.257  -3.091
 1132   1HB   TYR 158          HB2       TYR 158  -6.763  -8.678  -1.921
 1133   2HB   TYR 158          HB1       TYR 158  -6.412  -7.960  -3.491
 1134    HD1  TYR 158           HD1      TYR 158  -5.401 -11.038  -1.570
 1135    HD2  TYR 158           HD2      TYR 158  -6.672  -9.363  -5.316
 1136    HE1  TYR 158           HE1      TYR 158  -5.352 -13.294  -2.595
 1137    HE2  TYR 158           HE2      TYR 158  -6.627 -11.622  -6.340
 1138    HH   TYR 158           HH       TYR 158  -6.788 -14.298  -4.891
 1139    H    ILE 159           HN       ILE 159  -3.656  -6.060  -3.041
 1140    HA   ILE 159           HA       ILE 159  -4.729  -4.611  -0.651
 1141    HB   ILE 159           HB       ILE 159  -2.354  -3.543  -2.096
 1142   1HG1  ILE 159          HG12      ILE 159  -2.104  -5.806  -0.095
 1143   2HG1  ILE 159          HG11      ILE 159  -2.040  -6.072  -1.839
 1144   1HG2  ILE 159          HG21      ILE 159  -3.054  -2.272  -0.240
 1145   2HG2  ILE 159          HG22      ILE 159  -1.750  -3.259   0.422
 1146   3HG2  ILE 159          HG23      ILE 159  -3.433  -3.709   0.711
 1147   1HD1  ILE 159          HD11      ILE 159  -0.109  -4.649  -2.060
 1148   2HD1  ILE 159          HD12      ILE 159   0.220  -5.783  -0.751
 1149   3HD1  ILE 159          HD13      ILE 159  -0.239  -4.121  -0.382
 1150    H    ASP 160           HN       ASP 160  -5.781  -2.670  -1.013
 1151    HA   ASP 160           HA       ASP 160  -5.538  -1.129  -3.423
 1152   1HB   ASP 160          HB2       ASP 160  -6.731  -2.848  -4.565
 1153   2HB   ASP 160          HB1       ASP 160  -7.853  -3.064  -3.221
 1154    H    GLY 161           HN       GLY 161  -6.391   0.897  -3.008
 1155   1HA   GLY 161          HA2       GLY 161  -8.391   2.107  -2.004
 1156   2HA   GLY 161          HA1       GLY 161  -8.115   1.113  -0.574
 1157    H    LEU 162           HN       LEU 162  -5.066   1.631  -1.534
 1158    HA   LEU 162           HA       LEU 162  -4.495   3.525   0.515
 1159   1HB   LEU 162          HB2       LEU 162  -2.826   1.955  -0.497
 1160   2HB   LEU 162          HB1       LEU 162  -2.847   2.931  -1.962
 1161    HG   LEU 162           HG       LEU 162  -1.585   4.592  -1.032
 1162   1HD1  LEU 162          HD11      LEU 162  -1.751   5.317   1.317
 1163   2HD1  LEU 162          HD12      LEU 162  -2.829   3.967   1.666
 1164   3HD1  LEU 162          HD13      LEU 162  -3.347   5.253   0.574
 1165   1HD2  LEU 162          HD21      LEU 162  -0.585   2.218  -0.452
 1166   2HD2  LEU 162          HD22      LEU 162  -0.920   2.709   1.208
 1167   3HD2  LEU 162          HD23      LEU 162   0.162   3.675   0.206
 1168    H    ALA 163           HN       ALA 163  -5.619   5.445   0.373
 1169    HA   ALA 163           HA       ALA 163  -5.047   7.137  -2.020
 1170   1HB   ALA 163          HB1       ALA 163  -7.361   8.031  -1.859
 1171   2HB   ALA 163          HB2       ALA 163  -7.707   6.859  -0.586
 1172   3HB   ALA 163          HB3       ALA 163  -7.345   6.305  -2.222
 1173    H    ILE 164           HN       ILE 164  -4.745   9.341  -1.555
 1174    HA   ILE 164           HA       ILE 164  -4.814  10.069   1.345
 1175    HB   ILE 164           HB       ILE 164  -2.700  10.646  -0.740
 1176   1HG1  ILE 164          HG12      ILE 164  -1.878   9.907   1.958
 1177   2HG1  ILE 164          HG11      ILE 164  -2.964   8.705   1.260
 1178   1HG2  ILE 164          HG21      ILE 164  -3.607  12.305   1.488
 1179   2HG2  ILE 164          HG22      ILE 164  -2.470  12.691   0.195
 1180   3HG2  ILE 164          HG23      ILE 164  -1.908  11.855   1.643
 1181   1HD1  ILE 164          HD11      ILE 164  -1.139   7.904   0.188
 1182   2HD1  ILE 164          HD12      ILE 164  -0.199   9.354   0.541
 1183   3HD1  ILE 164          HD13      ILE 164  -1.280   9.321  -0.852
 1184    H    ALA 165           HN       ALA 165  -6.503  11.489   1.494
 1185    HA   ALA 165           HA       ALA 165  -6.408  13.941  -0.122
 1186   1HB   ALA 165          HB1       ALA 165  -7.928  11.868  -1.120
 1187   2HB   ALA 165          HB2       ALA 165  -8.198  13.576  -1.466
 1188   3HB   ALA 165          HB3       ALA 165  -9.109  12.782  -0.182
 1189    H    SER 166           HN       SER 166  -7.687  15.628   0.818
 1190    HA   SER 166           HA       SER 166  -8.259  15.185   3.675
 1191   1HB   SER 166          HB2       SER 166  -8.295  17.540   3.877
 1192   2HB   SER 166          HB1       SER 166  -7.066  17.243   2.650
 1193    HG   SER 166           HG       SER 166  -8.274  18.578   1.541
 1194    H    GLN 167           HN       GLN 167 -10.351  16.301   4.509
 1195    HA   GLN 167           HA       GLN 167 -12.593  15.397   2.758
 1196   1HB   GLN 167          HB2       GLN 167 -13.888  15.532   4.982
 1197   2HB   GLN 167          HB1       GLN 167 -12.696  14.241   4.830
 1198   1HG   GLN 167          HG2       GLN 167 -11.343  15.134   6.423
 1199   2HG   GLN 167          HG1       GLN 167 -11.608  16.783   5.855
 1200   1HE2  GLN 167          HE21      GLN 167 -11.694  16.754   8.507
 1201   2HE2  GLN 167          HE22      GLN 167 -13.274  16.711   9.126
 1202    HA   PRO 168           HA       PRO 168 -14.086  19.504   2.416
 1203   1HB   PRO 168          HB2       PRO 168 -16.788  19.015   2.279
 1204   2HB   PRO 168          HB1       PRO 168 -15.663  18.675   0.953
 1205   1HG   PRO 168          HG2       PRO 168 -16.985  16.768   2.826
 1206   2HG   PRO 168          HG1       PRO 168 -16.399  16.496   1.177
 1207   1HD   PRO 168          HD2       PRO 168 -15.080  15.712   3.556
 1208   2HD   PRO 168          HD1       PRO 168 -14.367  15.748   1.929