*HEADER    METAL BINDING PROTEIN                   24-SEP-13   2MEK              
*TITLE     N-TERMINAL DOMAIN OF BILBO1 FROM TRYPANOSOMA BRUCEI                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: N-TERMINAL DOMAIN OF BILBO1;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI;                      
*SOURCE   3 ORGANISM_TAXID: 999953;                                              
*SOURCE   4 STRAIN: 927/4 GUTAT10.1;                                             
*SOURCE   5 GENE: TB11.01.3960;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET15B                                     
*KEYWDS    BILBO1, N-TERMINAL DOMAIN, METAL BINDING PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.VIDILASERIS,B.MORRISWOOD,G.KONTAXIS,G.DONG                          
*REVDAT   1   01-JAN-14 2MEK    0                                                
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assign (residue 31 and name hb1) (residue 31 and name hd1#)    3.655    0.914    0.914
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assign (residue 31 and name hd2#) (residue 31 and name hb2)    2.998    0.750    0.750
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assign (residue 31 and name hd2#) (residue 31 and name hn)    3.948    0.987    0.987
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assign (residue 32 and name ha) (residue 32 and name hg#)    3.995    0.999    0.999
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assign (residue 33 and name hd#) (residue 33 and name ha)    4.377    1.094    1.094
!assign (residue 33 and name hd#) (residue 33 and name hd#)    2.001    0.500    0.500
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assign (residue 35 and name hb#) (residue 38 and name hn)    5.383    1.346    1.346
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assign (residue 36 and name ha) (residue 36 and name hg1)    3.661    0.915    0.915
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assign (residue 36 and name ha) (residue 36 and name hn)    4.533    1.133    1.133
assign (residue 36 and name ha) (residue 37 and name hn)    4.855    1.214    1.214
assign (residue 36 and name hg1) (residue 33 and name ha)    5.205    1.301    1.301
!assign (residue 36 and name ?) (residue 36 and name ?)    3.856    0.964    0.964
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assign (residue 36 and name hg1) (residue 36 and name ha)    4.707    1.177    1.177
assign (residue 36 and name hg2) (residue 36 and name ha)    4.650    1.162    1.162
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assign (residue 37 and name ha) (residue 37 and name hb)    3.862    0.965    0.965
assign (residue 37 and name ha) (residue 37 and name hg#)    3.690    0.923    0.923
assign (residue 37 and name ha) (residue 37 and name hn)    4.004    1.001    1.001
assign (residue 37 and name hb) (residue 37 and name ha)    5.300    1.325    1.325
assign (residue 37 and name hb) (residue 37 and name hg#)    4.457    1.114    1.114
assign (residue 37 and name hb) (residue 37 and name hn)    4.890    1.222    1.222
assign (residue 37 and name hg#) (residue 36 and name hg1)    4.793    1.198    1.198
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assign (residue 37 and name hg#) (residue 38 and name hn)    3.871    0.968    0.968
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assign (residue 38 and name ha) (residue 37 and name hn)    4.143    1.036    1.036
assign (residue 38 and name ha) (residue 38 and name hb#)    3.485    0.871    0.871
assign (residue 38 and name ha) (residue 38 and name hn)    4.169    1.042    1.042
assign (residue 38 and name hb#) (residue 16 and name hg1#)    3.669    0.917    0.917
assign (residue 38 and name hb#) (residue 38 and name ha)    3.308    0.827    0.827
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assign (residue 38 and name hb#) (residue 38 and name hn)    3.501    0.875    0.875
assign (residue 38 and name hb#) (residue 39 and name hn)    3.792    0.948    0.948
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assign (residue 39 and name hb1) (residue 39 and name ha)    5.078    1.269    1.269
assign (residue 39 and name hb2) (residue 39 and name ha)    5.126    1.282    1.282
assign (residue 39 and name hb1) (residue 39 and name hn)    5.021    1.255    1.255
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assign (residue 40 and name hb#) (residue 40 and name ha)    3.830    0.958    0.958
assign (residue 40 and name hb#) (residue 39 and name hb1)    4.404    1.101    1.101
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assign (residue 40 and name hb#) (residue 40 and name hn)    4.688    1.172    1.172
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assign (residue 40 and name hb#) (residue 44 and name hn)    3.472    0.868    0.868
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assign (residue 41 and name hb2) (residue 38 and name ha)    5.067    1.267    1.267
assign (residue 41 and name ?) (residue 41 and name ?)    3.639    0.910    0.910
assign (residue 41 and name hb1) (residue 41 and name ha)    4.087    1.022    1.022
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assign (residue 41 and name hb1) (residue 41 and name hn)    3.953    0.988    0.988
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assign (residue 45 and name ?) (residue 45 and name ?)    3.339    0.835    0.835
assign (residue 45 and name hb1) (residue 45 and name ha)    3.949    0.987    0.987
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assign (residue 45 and name hb1) (residue 45 and name hn)    3.879    0.970    0.970
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assign (residue 45 and name hd2#) (residue 45 and name hg)    3.194    0.798    0.798
assign (residue 45 and name hd2#) (residue 45 and name ha)    3.118    0.779    0.779
assign (residue 45 and name hd2#) (residue 45 and name hb1)    3.621    0.905    0.905
assign (residue 45 and name hd1#) (residue 45 and name hb2)    3.082    0.771    0.771
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assign (residue 45 and name hd2#) (residue 45 and name hn)    3.857    0.964    0.964
assign (residue 45 and name hg) (residue 45 and name ha)    3.749    0.937    0.937
assign (residue 45 and name hg) (residue 45 and name hd2#)    3.423    0.856    0.856
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assign (residue 50 and name ?) (residue 50 and name ?)    3.143    0.786    0.786
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assign (residue 51 and name hg1#) (residue 51 and name ha)    3.787    0.947    0.947
assign (residue 51 and name hg1#) (residue 51 and name hb)    3.375    0.844    0.844
assign (residue 51 and name hg1#) (residue 51 and name hn)    3.643    0.911    0.911
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assign (residue 51 and name hg2#) (residue 51 and name ha)    3.771    0.943    0.943
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assign (residue 51 and name hg2#) (residue 51 and name hn)    3.599    0.900    0.900
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assign (residue 58 and name ?) (residue 58 and name ?)    3.871    0.968    0.968
assign (residue 58 and name hb1) (residue 58 and name ha)    3.874    0.969    0.969
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assign (residue 59 and name hb1) (residue 58 and name ha)    3.851    0.963    0.963
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assign (residue 86 and name hb#) (residue 86 and name hg)    3.913    0.978    0.978
assign (residue 86 and name hb#) (residue 86 and name hn)    5.038    1.260    1.260
assign (residue 86 and name hb#) (residue 87 and name ha)    4.807    1.202    1.202
assign (residue 86 and name hd#) (residue 86 and name ha)    3.660    0.915    0.915
assign (residue 86 and name hd#) (residue 86 and name hb#)    3.578    0.894    0.894
assign (residue 86 and name hd#) (residue 86 and name hg)    2.775    0.694    0.694
assign (residue 86 and name hd#) (residue 86 and name hn)    3.949    0.987    0.987
assign (residue 86 and name hd#) (residue 87 and name hn)    4.733    1.183    1.183
assign (residue 86 and name hg) (residue 7 and name ha)    4.663    1.166    1.166
assign (residue 86 and name hg) (residue 86 and name ha)    4.577    1.144    1.144
assign (residue 86 and name hg) (residue 86 and name hb#)    3.372    0.843    0.843
assign (residue 86 and name hg) (residue 86 and name hb#)    3.754    0.938    0.938
assign (residue 86 and name hg) (residue 86 and name hd#)    2.596    0.649    0.649
assign (residue 86 and name hg) (residue 86 and name hn)    4.323    1.081    1.081
assign (residue 88 and name hb) (residue 9 and name hb#)    4.636    1.159    1.159
assign (residue 88 and name hb) (residue 88 and name ha)    5.101    1.275    1.275
assign (residue 88 and name hb) (residue 88 and name hg2#)    3.871    0.968    0.968
assign (residue 88 and name hb) (residue 88 and name hg2#)    3.949    0.987    0.987
assign (residue 88 and name hb) (residue 88 and name hn)    4.593    1.148    1.148
assign (residue 88 and name hg1#) (residue 9 and name ha)    3.923    0.981    0.981
assign (residue 88 and name hg1#) (residue 9 and name hb#)    4.216    1.054    1.054
assign (residue 88 and name ?) (residue 88 and name ?)    2.957    0.739    0.739
assign (residue 88 and name hg2#) (residue 88 and name ha)    3.714    0.929    0.929
assign (residue 88 and name hg1#) (residue 88 and name hb)    3.030    0.758    0.758
assign (residue 88 and name hg2#) (residue 88 and name hb)    3.444    0.861    0.861
assign (residue 88 and name hg2#) (residue 88 and name hg2#)    2.634    0.658    0.658
assign (residue 88 and name hg2#) (residue 88 and name hn)    3.772    0.943    0.943
assign (residue 88 and name hg1#) (residue 89 and name hn)    4.038    1.010    1.010
assign (residue 88 and name hg2#) (residue 9 and name hb#)    4.395    1.099    1.099
assign (residue 88 and name hg2#) (residue 36 and name hg1)    4.703    1.176    1.176
assign (residue 88 and name hg2#) (residue 86 and name ha)    4.764    1.191    1.191
assign (residue 88 and name hg2#) (residue 88 and name hn)    4.384    1.096    1.096
assign (residue 88 and name hg2#) (residue 89 and name hn)    4.033    1.008    1.008
assign (residue 95 and name ?) (residue 95 and name ?)    4.085    1.021    1.021
assign (residue 95 and name ?) (residue 95 and name ?)    4.285    1.071    1.071
assign (residue 95 and name hb1) (residue 95 and name ha)    4.562    1.140    1.140
assign (residue 95 and name hb2) (residue 95 and name ha)    4.386    1.096    1.096
assign (residue 95 and name hb1) (residue 95 and name hn)    4.580    1.145    1.145
assign (residue 95 and name hb2) (residue 95 and name hn)    4.303    1.076    1.076
assign (residue 95 and name hb1) (residue 96 and name hn)    3.996    0.999    0.999
assign (residue 97 and name hb#) (residue 97 and name hn)    3.795    0.949    0.949
assign (residue 102 and name ha) (residue 102 and name hb#)    3.409    0.852    0.852
assign (residue 102 and name ha) (residue 102 and name hg#)    4.057    1.014    1.014
assign (residue 102 and name ha) (residue 102 and name hn)    3.351    0.838    0.838
assign (residue 102 and name ha) (residue 103 and name hd1#)    4.743    1.186    1.186
assign (residue 102 and name hb#) (residue 102 and name ha)    3.571    0.893    0.893
assign (residue 102 and name hb#) (residue 102 and name hg#)    3.519    0.880    0.880
assign (residue 102 and name hb#) (residue 102 and name hn)    3.558    0.890    0.890
assign (residue 102 and name hg#) (residue 102 and name ha)    3.476    0.869    0.869
assign (residue 102 and name hg#) (residue 102 and name hb#)    2.855    0.714    0.714
assign (residue 102 and name hg#) (residue 102 and name hg#)    1.944    0.486    0.486
assign (residue 102 and name hg#) (residue 102 and name hn)    3.406    0.851    0.851
assign (residue 103 and name ha) (residue 103 and name hb)    4.347    1.087    1.087
assign (residue 103 and name ha) (residue 103 and name hg2#)    4.256    1.064    1.064
assign (residue 103 and name ha) (residue 103 and name hn)    4.778    1.194    1.194
assign (residue 103 and name hb) (residue 103 and name ha)    4.356    1.089    1.089
assign (residue 103 and name hb) (residue 103 and name hg2#)    3.677    0.919    0.919
assign (residue 103 and name hb) (residue 103 and name hn)    3.971    0.993    0.993
assign (residue 103 and name hd1#) (residue 103 and name ha)    4.055    1.014    1.014
assign (residue 103 and name hd1#) (residue 103 and name hb)    3.293    0.823    0.823
assign (residue 103 and name hd1#) (residue 103 and name hg1#)    3.561    0.890    0.890
assign (residue 103 and name hd1#) (residue 103 and name hn)    3.960    0.990    0.990
assign (residue 103 and name ?) (residue 103 and name ?)    4.563    1.141    1.141
assign (residue 103 and name hg1#) (residue 103 and name ha)    4.903    1.226    1.226
assign (residue 103 and name hg1#) (residue 103 and name hb)    4.143    1.036    1.036
assign (residue 103 and name hg1#) (residue 103 and name hd1#)    4.434    1.109    1.109
assign (residue 103 and name hg2#) (residue 103 and name ha)    3.411    0.853    0.853
assign (residue 103 and name hg2#) (residue 103 and name hb)    3.587    0.897    0.897
assign (residue 103 and name hg2#) (residue 103 and name hn)    3.777    0.944    0.944
assign (residue 106 and name ha) (residue 106 and name hb#)    3.849    0.962    0.962
assign (residue 106 and name ha) (residue 106 and name hn)    3.741    0.935    0.935
assign (residue 106 and name ha) (residue 107 and name hb#)    4.283    1.071    1.071
assign (residue 106 and name hb#) (residue 17 and name hd1)    4.035    1.009    1.009
assign (residue 106 and name hb#) (residue 17 and name hd2)    4.249    1.062    1.062
assign (residue 106 and name hb#) (residue 18 and name ha)    4.428    1.107    1.107
assign (residue 106 and name hb#) (residue 106 and name ha)    3.449    0.862    0.862
assign (residue 106 and name hb#) (residue 106 and name hn)    3.222    0.805    0.805
assign (residue 107 and name hg#) (residue 107 and name ha)    4.252    1.063    1.063
assign (residue 107 and name hg#) (residue 107 and name hn)    3.954    0.989    0.989
assign (residue 108 and name hb#) (residue 108 and name ha)    3.889    0.972    0.972
assign (residue 108 and name hd#) (residue 108 and name ha)    4.230    1.057    1.057
assign (residue 108 and name hd#) (residue 108 and name he#)    3.295    0.824    0.824
assign (residue 108 and name he#) (residue 108 and name hd#)    2.801    0.700    0.700
assign (residue 108 and name he#) (residue 108 and name he#)    1.705    0.426    0.426
assign (residue 108 and name hg#) (residue 108 and name ha)    4.133    1.033    1.033
assign (residue 108 and name hg#) (residue 108 and name he#)    3.987    0.997    0.997


assign (resid 5 and name cg1)  (resid 20 and name cb)  5.0 2.0 2.0

assign (resid 7 and name cb)  (resid 8 and name cb)  5.0 2.0 2.0

assign (resid 8 and name ca)  (resid 9 and name ca)  5.0 2.0 2.0

assign (resid 8 and name cb)  (resid 9 and name ca)  5.0 2.0 2.0
assign (resid 8 and name cb)  (resid 38 and name cb)  5.0 2.0 2.0

assign (resid 9 and name cb)  (resid 8 and name cb)  5.0 2.0 2.0

assign (resid 9 and name cb)  (resid 11 and name cd1)  5.0 2.0 2.0

assign (resid 11 and name cb)  (resid 9 and name cb)  5.0 2.0 2.0

assign (resid 11 and name cd1)  (resid 9 and name cb)  5.0 2.0 2.0


assign (resid 11 and name cd1)  (resid 39 and name cb)  5.0 2.0 2.0
assign (resid 11 and name cd1)  (resid 43 and name cd1)  5.0 2.0 2.0
assign (resid 11 and name cg2)  (resid 43 and name cd1)  5.0 2.0 2.0

assign (resid 28 and name ca)  (resid 31 and name cb)  5.0 2.0 2.0

assign (resid 28 and name cd1)  (resid 31 and name cb)  5.0 2.0 2.0
assign (resid 28 and name cd1)  (resid 31 and name cg)  5.0 2.0 2.0
assign (resid 28 and name cd1)  (resid 54 and name ca)  5.0 2.0 2.0

assign (resid 28 and name cg2)  (resid 61 and name cd1)  5.0 2.0 2.0

assign (resid 31 and name cb)  (resid 28 and name ca)  5.0 2.0 2.0

assign (resid 31 and name cd1)  (resid 35 and name cb)  5.0 2.0 2.0
assign (resid 31 and name cd2)  (resid 35 and name cb)  5.0 2.0 2.0

assign (resid 35 and name ca)  (resid 31 and name cd1)  5.0 2.0 2.0

assign (resid 35 and name cb)  (resid 7 and name cb)  5.0 2.0 2.0
assign (resid 35 and name cb)  (resid 31 and name cd1)  5.0 2.0 2.0
assign (resid 35 and name cb)  (resid 31 and name cd2)  5.0 2.0 2.0

assign (resid 35 and name cb)  (resid 36 and name cg)  5.0 2.0 2.0
assign (resid 35 and name cb)  (resid 88 and name cg)  5.0 2.0 2.0

assign (resid 38 and name cb)  (resid 8 and name cb)  5.0 2.0 2.0

assign (resid 43 and name cd1)  (resid 51 and name cg#)  5.0 2.0 2.0

assign (resid 61 and name cd1)  (resid 28 and name cg2)  5.0 2.0 2.0

assign (resid 61 and name cd1)  (resid 88 and name cg)  5.0 2.0 2.0

assign (resid 61 and name cg2)  (resid 86 and name cd#)  5.0 2.0 2.0
assign (resid 61 and name cg2)  (resid 86 and name cg)  5.0 2.0 2.0

assign (resid 65 and name cb)  (resid 72 and name cg2)  5.0 2.0 2.0



assign (resid 68 and name cd1)  (resid 67 and name cb)  5.0 2.0 2.0

assign (resid 68 and name cd2)  (resid 67 and name cb)  5.0 2.0 2.0

assign (resid 71 and name cg1)  (resid 72 and name cb)  5.0 2.0 2.0

assign (resid 72 and name cg2)  (resid 65 and name cb)  5.0 2.0 2.0

assign (resid 76 and name cg)  (resid 28 and name cd1)  5.0 2.0 2.0
assign (resid 76 and name cg)  (resid 31 and name cd2)  5.0 2.0 2.0

assign (resid 86 and name cd#)  (resid 61 and name cg2)  5.0 2.0 2.0

assign (resid 86 and name cg)  (resid 61 and name cg2)  5.0 2.0 2.0

assign (resid 88 and name cg)  (resid 35 and name cb)  5.0 2.0 2.0
assign (resid 88 and name cg)  (resid 61 and name cd1)  5.0 2.0 2.0


! phi A 2 
assign ( resid 1 and name C  )
       ( resid 2 and name N  )
       ( resid 2 and name CA )
       ( resid 2 and name C  )
         1.0 -106.280 25.51 2

! psi A 2
assign ( resid 2 and name N  )
       ( resid 2 and name CA )
       ( resid 2 and name C  )
       ( resid 3 and name N  )
         1.0 126.620 17.51 2

! phi F 3 
assign ( resid 2 and name C  )
       ( resid 3 and name N  )
       ( resid 3 and name CA )
       ( resid 3 and name C  )
         1.0 -104.230 11.55 2

! psi F 3
assign ( resid 3 and name N  )
       ( resid 3 and name CA )
       ( resid 3 and name C  )
       ( resid 4 and name N  )
         1.0 125.910 15.49 2

! phi L 4 
assign ( resid 3 and name C  )
       ( resid 4 and name N  )
       ( resid 4 and name CA )
       ( resid 4 and name C  )
         1.0 -111.910 19.18 2

! psi L 4
assign ( resid 4 and name N  )
       ( resid 4 and name CA )
       ( resid 4 and name C  )
       ( resid 5 and name N  )
         1.0 137.920 24.76 2

! phi V 5 
assign ( resid 4 and name C  )
       ( resid 5 and name N  )
       ( resid 5 and name CA )
       ( resid 5 and name C  )
         1.0 -146.600 15.56 2

! psi V 5
assign ( resid 5 and name N  )
       ( resid 5 and name CA )
       ( resid 5 and name C  )
       ( resid 6 and name N  )
         1.0 157.720 8.57 2

! phi Q 6 
assign ( resid 5 and name C  )
       ( resid 6 and name N  )
       ( resid 6 and name CA )
       ( resid 6 and name C  )
         1.0 -119.320 15.49 2

! psi Q 6
assign ( resid 6 and name N  )
       ( resid 6 and name CA )
       ( resid 6 and name C  )
       ( resid 7 and name N  )
         1.0 153.990 15.24 2

! phi V 7 
assign ( resid 6 and name C  )
       ( resid 7 and name N  )
       ( resid 7 and name CA )
       ( resid 7 and name C  )
         1.0 -135.380 12.56 2

! psi V 7
assign ( resid 7 and name N  )
       ( resid 7 and name CA )
       ( resid 7 and name C  )
       ( resid 8 and name N  )
         1.0 150.240 11.13 2

! phi A 8 
assign ( resid 7 and name C  )
       ( resid 8 and name N  )
       ( resid 8 and name CA )
       ( resid 8 and name C  )
         1.0 -124.110 20.15 2

! psi A 8
assign ( resid 8 and name N  )
       ( resid 8 and name CA )
       ( resid 8 and name C  )
       ( resid 9 and name N  )
         1.0 151.790 13.1 2

! phi A 9 
assign ( resid 8 and name C  )
       ( resid 9 and name N  )
       ( resid 9 and name CA )
       ( resid 9 and name C  )
         1.0 -136.700 33.16 2

! psi A 9
assign ( resid 9 and name N  )
       ( resid 9 and name CA )
       ( resid 9 and name C  )
       ( resid 10 and name N  )
         1.0 152.660 13.42 2

! phi D 10 
assign ( resid 9 and name C  )
       ( resid 10 and name N  )
       ( resid 10 and name CA )
       ( resid 10 and name C  )
         1.0 -115.320 28.06 2

! psi D 10
assign ( resid 10 and name N  )
       ( resid 10 and name CA )
       ( resid 10 and name C  )
       ( resid 11 and name N  )
         1.0 128.050 20.58 2

! phi N 14 
assign ( resid 13 and name C  )
       ( resid 14 and name N  )
       ( resid 14 and name CA )
       ( resid 14 and name C  )
         1.0 -118.520 11.62 2

! psi N 14
assign ( resid 14 and name N  )
       ( resid 14 and name CA )
       ( resid 14 and name C  )
       ( resid 15 and name N  )
         1.0 144.020 18.65 2

! phi K 15 
assign ( resid 14 and name C  )
       ( resid 15 and name N  )
       ( resid 15 and name CA )
       ( resid 15 and name C  )
         1.0 -103.530 17.39 2

! psi K 15
assign ( resid 15 and name N  )
       ( resid 15 and name CA )
       ( resid 15 and name C  )
       ( resid 16 and name N  )
         1.0 114.210 19.9 2

! phi V 16 
assign ( resid 15 and name C  )
       ( resid 16 and name N  )
       ( resid 16 and name CA )
       ( resid 16 and name C  )
         1.0 -124.570 27.63 2

! psi V 16
assign ( resid 16 and name N  )
       ( resid 16 and name CA )
       ( resid 16 and name C  )
       ( resid 17 and name N  )
         1.0 136.760 24.47 2

! phi N 17 
assign ( resid 16 and name C  )
       ( resid 17 and name N  )
       ( resid 17 and name CA )
       ( resid 17 and name C  )
         1.0 -119.500 9.97 2

! psi N 17
assign ( resid 17 and name N  )
       ( resid 17 and name CA )
       ( resid 17 and name C  )
       ( resid 18 and name N  )
         1.0 136.330 14.9 2

! phi F 18 
assign ( resid 17 and name C  )
       ( resid 18 and name N  )
       ( resid 18 and name CA )
       ( resid 18 and name C  )
         1.0 -118.770 8.73 2

! psi F 18
assign ( resid 18 and name N  )
       ( resid 18 and name CA )
       ( resid 18 and name C  )
       ( resid 19 and name N  )
         1.0 136.720 12.35 2

! phi E 19 
assign ( resid 18 and name C  )
       ( resid 19 and name N  )
       ( resid 19 and name CA )
       ( resid 19 and name C  )
         1.0 -113.070 15.22 2

! psi E 19
assign ( resid 19 and name N  )
       ( resid 19 and name CA )
       ( resid 19 and name C  )
       ( resid 20 and name N  )
         1.0 125.090 12.2 2

! phi L 20 
assign ( resid 19 and name C  )
       ( resid 20 and name N  )
       ( resid 20 and name CA )
       ( resid 20 and name C  )
         1.0 -113.680 13.07 2

! psi L 20
assign ( resid 20 and name N  )
       ( resid 20 and name CA )
       ( resid 20 and name C  )
       ( resid 21 and name N  )
         1.0 142.900 15.84 2

! phi S 21 
assign ( resid 20 and name C  )
       ( resid 21 and name N  )
       ( resid 21 and name CA )
       ( resid 21 and name C  )
         1.0 -123.000 9.73 2

! psi S 21
assign ( resid 21 and name N  )
       ( resid 21 and name CA )
       ( resid 21 and name C  )
       ( resid 22 and name N  )
         1.0 127.840 18.15 2

! phi F 22 
assign ( resid 21 and name C  )
       ( resid 22 and name N  )
       ( resid 22 and name CA )
       ( resid 22 and name C  )
         1.0 -111.570 13.08 2

! psi F 22
assign ( resid 22 and name N  )
       ( resid 22 and name CA )
       ( resid 22 and name C  )
       ( resid 23 and name N  )
         1.0 129.110 21.75 2

! phi S 27 
assign ( resid 26 and name C  )
       ( resid 27 and name N  )
       ( resid 27 and name CA )
       ( resid 27 and name C  )
         1.0 -95.920 15.01 2

! psi S 27
assign ( resid 27 and name N  )
       ( resid 27 and name CA )
       ( resid 27 and name C  )
       ( resid 28 and name N  )
         1.0 166.930 9.5 2

! phi S 29 
assign ( resid 28 and name C  )
       ( resid 29 and name N  )
       ( resid 29 and name CA )
       ( resid 29 and name C  )
         1.0 -79.180 19.43 2

! psi S 29
assign ( resid 29 and name N  )
       ( resid 29 and name CA )
       ( resid 29 and name C  )
       ( resid 30 and name N  )
         1.0 -22.030 27.17 2

! phi E 30 
assign ( resid 29 and name C  )
       ( resid 30 and name N  )
       ( resid 30 and name CA )
       ( resid 30 and name C  )
         1.0 -65.090 7.14 2

! psi E 30
assign ( resid 30 and name N  )
       ( resid 30 and name CA )
       ( resid 30 and name C  )
       ( resid 31 and name N  )
         1.0 -30.440 7.13 2

! phi L 31 
assign ( resid 30 and name C  )
       ( resid 31 and name N  )
       ( resid 31 and name CA )
       ( resid 31 and name C  )
         1.0 -67.430 6.2 2

! psi L 31
assign ( resid 31 and name N  )
       ( resid 31 and name CA )
       ( resid 31 and name C  )
       ( resid 32 and name N  )
         1.0 -40.850 5.38 2

! phi T 32 
assign ( resid 31 and name C  )
       ( resid 32 and name N  )
       ( resid 32 and name CA )
       ( resid 32 and name C  )
         1.0 -60.970 5.71 2

! psi T 32
assign ( resid 32 and name N  )
       ( resid 32 and name CA )
       ( resid 32 and name C  )
       ( resid 33 and name N  )
         1.0 -46.370 9.57 2

! phi R 33 
assign ( resid 32 and name C  )
       ( resid 33 and name N  )
       ( resid 33 and name CA )
       ( resid 33 and name C  )
         1.0 -60.380 5.27 2

! psi R 33
assign ( resid 33 and name N  )
       ( resid 33 and name CA )
       ( resid 33 and name C  )
       ( resid 34 and name N  )
         1.0 -41.300 5.62 2

! phi S 34 
assign ( resid 33 and name C  )
       ( resid 34 and name N  )
       ( resid 34 and name CA )
       ( resid 34 and name C  )
         1.0 -66.350 6.74 2

! psi S 34
assign ( resid 34 and name N  )
       ( resid 34 and name CA )
       ( resid 34 and name C  )
       ( resid 35 and name N  )
         1.0 -36.980 9.58 2

! phi A 35 
assign ( resid 34 and name C  )
       ( resid 35 and name N  )
       ( resid 35 and name CA )
       ( resid 35 and name C  )
         1.0 -64.960 4.34 2

! psi A 35
assign ( resid 35 and name N  )
       ( resid 35 and name CA )
       ( resid 35 and name C  )
       ( resid 36 and name N  )
         1.0 -42.900 3.42 2

! phi E 36 
assign ( resid 35 and name C  )
       ( resid 36 and name N  )
       ( resid 36 and name CA )
       ( resid 36 and name C  )
         1.0 -65.840 7.54 2

! psi E 36
assign ( resid 36 and name N  )
       ( resid 36 and name CA )
       ( resid 36 and name C  )
       ( resid 37 and name N  )
         1.0 -37.500 5.4 2

! phi T 37 
assign ( resid 36 and name C  )
       ( resid 37 and name N  )
       ( resid 37 and name CA )
       ( resid 37 and name C  )
         1.0 -70.720 8.09 2

! psi T 37
assign ( resid 37 and name N  )
       ( resid 37 and name CA )
       ( resid 37 and name C  )
       ( resid 38 and name N  )
         1.0 -37.730 6.57 2

! phi A 38 
assign ( resid 37 and name C  )
       ( resid 38 and name N  )
       ( resid 38 and name CA )
       ( resid 38 and name C  )
         1.0 -60.220 6.27 2

! psi A 38
assign ( resid 38 and name N  )
       ( resid 38 and name CA )
       ( resid 38 and name C  )
       ( resid 39 and name N  )
         1.0 -40.690 12.44 2

! phi F 39 
assign ( resid 38 and name C  )
       ( resid 39 and name N  )
       ( resid 39 and name CA )
       ( resid 39 and name C  )
         1.0 -70.320 7.32 2

! psi F 39
assign ( resid 39 and name N  )
       ( resid 39 and name CA )
       ( resid 39 and name C  )
       ( resid 40 and name N  )
         1.0 -35.440 8.25 2

! phi S 40 
assign ( resid 39 and name C  )
       ( resid 40 and name N  )
       ( resid 40 and name CA )
       ( resid 40 and name C  )
         1.0 -70.990 7.96 2

! psi S 40
assign ( resid 40 and name N  )
       ( resid 40 and name CA )
       ( resid 40 and name C  )
       ( resid 41 and name N  )
         1.0 -37.290 6.86 2

! phi N 41 
assign ( resid 40 and name C  )
       ( resid 41 and name N  )
       ( resid 41 and name CA )
       ( resid 41 and name C  )
         1.0 -64.980 4.36 2

! psi N 41
assign ( resid 41 and name N  )
       ( resid 41 and name CA )
       ( resid 41 and name C  )
       ( resid 42 and name N  )
         1.0 -38.520 8.16 2

! phi E 42 
assign ( resid 41 and name C  )
       ( resid 42 and name N  )
       ( resid 42 and name CA )
       ( resid 42 and name C  )
         1.0 -69.770 17.51 2

! psi E 42
assign ( resid 42 and name N  )
       ( resid 42 and name CA )
       ( resid 42 and name C  )
       ( resid 43 and name N  )
         1.0 -38.250 14.38 2

! phi I 43 
assign ( resid 42 and name C  )
       ( resid 43 and name N  )
       ( resid 43 and name CA )
       ( resid 43 and name C  )
         1.0 -64.040 4.92 2

! psi I 43
assign ( resid 43 and name N  )
       ( resid 43 and name CA )
       ( resid 43 and name C  )
       ( resid 44 and name N  )
         1.0 -42.440 9.16 2

! phi S 44 
assign ( resid 43 and name C  )
       ( resid 44 and name N  )
       ( resid 44 and name CA )
       ( resid 44 and name C  )
         1.0 -63.590 8.01 2

! psi S 44
assign ( resid 44 and name N  )
       ( resid 44 and name CA )
       ( resid 44 and name C  )
       ( resid 45 and name N  )
         1.0 -32.260 9.25 2

! phi L 45 
assign ( resid 44 and name C  )
       ( resid 45 and name N  )
       ( resid 45 and name CA )
       ( resid 45 and name C  )
         1.0 -70.220 8.4 2

! psi L 45
assign ( resid 45 and name N  )
       ( resid 45 and name CA )
       ( resid 45 and name C  )
       ( resid 46 and name N  )
         1.0 -35.070 7.73 2

! phi R 47 
assign ( resid 46 and name C  )
       ( resid 47 and name N  )
       ( resid 47 and name CA )
       ( resid 47 and name C  )
         1.0 -88.630 15.05 2

! psi R 47
assign ( resid 47 and name N  )
       ( resid 47 and name CA )
       ( resid 47 and name C  )
       ( resid 48 and name N  )
         1.0 134.190 20.74 2

! phi V 51 
assign ( resid 50 and name C  )
       ( resid 51 and name N  )
       ( resid 51 and name CA )
       ( resid 51 and name C  )
         1.0 -104.770 12.87 2

! psi V 51
assign ( resid 51 and name N  )
       ( resid 51 and name CA )
       ( resid 51 and name C  )
       ( resid 52 and name N  )
         1.0 122.470 21.43 2

! phi P 52 
assign ( resid 51 and name C  )
       ( resid 52 and name N  )
       ( resid 52 and name CA )
       ( resid 52 and name C  )
         1.0 -69.540 9.83 2

! psi P 52
assign ( resid 52 and name N  )
       ( resid 52 and name CA )
       ( resid 52 and name C  )
       ( resid 53 and name N  )
         1.0 147.730 10.63 2

! phi K 55 
assign ( resid 54 and name C  )
       ( resid 55 and name N  )
       ( resid 55 and name CA )
       ( resid 55 and name C  )
         1.0 -102.670 20.91 2

! psi K 55
assign ( resid 55 and name N  )
       ( resid 55 and name CA )
       ( resid 55 and name C  )
       ( resid 56 and name N  )
         1.0 133.170 14.57 2

! phi F 56 
assign ( resid 55 and name C  )
       ( resid 56 and name N  )
       ( resid 56 and name CA )
       ( resid 56 and name C  )
         1.0 -105.400 17.74 2

! psi F 56
assign ( resid 56 and name N  )
       ( resid 56 and name CA )
       ( resid 56 and name C  )
       ( resid 57 and name N  )
         1.0 121.920 5.84 2

! phi H 57 
assign ( resid 56 and name C  )
       ( resid 57 and name N  )
       ( resid 57 and name CA )
       ( resid 57 and name C  )
         1.0 -118.960 18.38 2

! psi H 57
assign ( resid 57 and name N  )
       ( resid 57 and name CA )
       ( resid 57 and name C  )
       ( resid 58 and name N  )
         1.0 131.970 20.22 2

! phi S 58 
assign ( resid 57 and name C  )
       ( resid 58 and name N  )
       ( resid 58 and name CA )
       ( resid 58 and name C  )
         1.0 -95.970 15.35 2

! psi S 58
assign ( resid 58 and name N  )
       ( resid 58 and name CA )
       ( resid 58 and name C  )
       ( resid 59 and name N  )
         1.0 133.980 9.52 2

! phi I 61 
assign ( resid 60 and name C  )
       ( resid 61 and name N  )
       ( resid 61 and name CA )
       ( resid 61 and name C  )
         1.0 -107.400 13.82 2

! psi I 61
assign ( resid 61 and name N  )
       ( resid 61 and name CA )
       ( resid 61 and name C  )
       ( resid 62 and name N  )
         1.0 132.840 14.84 2

! phi K 62 
assign ( resid 61 and name C  )
       ( resid 62 and name N  )
       ( resid 62 and name CA )
       ( resid 62 and name C  )
         1.0 -126.870 13.96 2

! psi K 62
assign ( resid 62 and name N  )
       ( resid 62 and name CA )
       ( resid 62 and name C  )
       ( resid 63 and name N  )
         1.0 151.170 9.6 2

! phi M 63 
assign ( resid 62 and name C  )
       ( resid 63 and name N  )
       ( resid 63 and name CA )
       ( resid 63 and name C  )
         1.0 -127.250 13.97 2

! psi M 63
assign ( resid 63 and name N  )
       ( resid 63 and name CA )
       ( resid 63 and name C  )
       ( resid 64 and name N  )
         1.0 126.510 10.2 2

! phi Y 64 
assign ( resid 63 and name C  )
       ( resid 64 and name N  )
       ( resid 64 and name CA )
       ( resid 64 and name C  )
         1.0 -85.700 17.23 2

! psi Y 64
assign ( resid 64 and name N  )
       ( resid 64 and name CA )
       ( resid 64 and name C  )
       ( resid 65 and name N  )
         1.0 119.840 11.94 2

! phi E 67 
assign ( resid 66 and name C  )
       ( resid 67 and name N  )
       ( resid 67 and name CA )
       ( resid 67 and name C  )
         1.0 -73.990 7.97 2

! psi E 67
assign ( resid 67 and name N  )
       ( resid 67 and name CA )
       ( resid 67 and name C  )
       ( resid 68 and name N  )
         1.0 -27.420 14.15 2

! phi L 68 
assign ( resid 67 and name C  )
       ( resid 68 and name N  )
       ( resid 68 and name CA )
       ( resid 68 and name C  )
         1.0 -87.430 11.48 2

! psi L 68
assign ( resid 68 and name N  )
       ( resid 68 and name CA )
       ( resid 68 and name C  )
       ( resid 69 and name N  )
         1.0 -9.250 12.18 2

! phi K 70 
assign ( resid 69 and name C  )
       ( resid 70 and name N  )
       ( resid 70 and name CA )
       ( resid 70 and name C  )
         1.0 -126.290 24.63 2

! psi K 70
assign ( resid 70 and name N  )
       ( resid 70 and name CA )
       ( resid 70 and name C  )
       ( resid 71 and name N  )
         1.0 157.180 15.4 2

! phi W 71 
assign ( resid 70 and name C  )
       ( resid 71 and name N  )
       ( resid 71 and name CA )
       ( resid 71 and name C  )
         1.0 -88.380 17.29 2

! psi W 71
assign ( resid 71 and name N  )
       ( resid 71 and name CA )
       ( resid 71 and name C  )
       ( resid 72 and name N  )
         1.0 142.600 12.44 2

! phi V 72 
assign ( resid 71 and name C  )
       ( resid 72 and name N  )
       ( resid 72 and name CA )
       ( resid 72 and name C  )
         1.0 -109.410 23.83 2

! psi V 72
assign ( resid 72 and name N  )
       ( resid 72 and name CA )
       ( resid 72 and name C  )
       ( resid 73 and name N  )
         1.0 161.950 7.35 2

! phi L 74 
assign ( resid 73 and name C  )
       ( resid 74 and name N  )
       ( resid 74 and name CA )
       ( resid 74 and name C  )
         1.0 -98.800 17.75 2

! psi L 74
assign ( resid 74 and name N  )
       ( resid 74 and name CA )
       ( resid 74 and name C  )
       ( resid 75 and name N  )
         1.0 97.750 21.29 2

! phi I 75 
assign ( resid 74 and name C  )
       ( resid 75 and name N  )
       ( resid 75 and name CA )
       ( resid 75 and name C  )
         1.0 -106.950 16.64 2

! psi I 75
assign ( resid 75 and name N  )
       ( resid 75 and name CA )
       ( resid 75 and name C  )
       ( resid 76 and name N  )
         1.0 144.070 9.72 2

! phi R 76 
assign ( resid 75 and name C  )
       ( resid 76 and name N  )
       ( resid 76 and name CA )
       ( resid 76 and name C  )
         1.0 -128.730 11.94 2

! psi R 76
assign ( resid 76 and name N  )
       ( resid 76 and name CA )
       ( resid 76 and name C  )
       ( resid 77 and name N  )
         1.0 158.590 16.04 2

! phi Q 79 
assign ( resid 78 and name C  )
       ( resid 79 and name N  )
       ( resid 79 and name CA )
       ( resid 79 and name C  )
         1.0 -76.600 16.55 2

! psi Q 79
assign ( resid 79 and name N  )
       ( resid 79 and name CA )
       ( resid 79 and name C  )
       ( resid 80 and name N  )
         1.0 -34.700 13.54 2

! phi L 80 
assign ( resid 79 and name C  )
       ( resid 80 and name N  )
       ( resid 80 and name CA )
       ( resid 80 and name C  )
         1.0 -104.390 15.51 2

! psi L 80
assign ( resid 80 and name N  )
       ( resid 80 and name CA )
       ( resid 80 and name C  )
       ( resid 81 and name N  )
         1.0 -13.470 17.01 2

! phi Q 85 
assign ( resid 84 and name C  )
       ( resid 85 and name N  )
       ( resid 85 and name CA )
       ( resid 85 and name C  )
         1.0 -125.060 16.67 2

! psi Q 85
assign ( resid 85 and name N  )
       ( resid 85 and name CA )
       ( resid 85 and name C  )
       ( resid 86 and name N  )
         1.0 132.250 20.97 2

! phi L 86 
assign ( resid 85 and name C  )
       ( resid 86 and name N  )
       ( resid 86 and name CA )
       ( resid 86 and name C  )
         1.0 -113.170 9.51 2

! psi L 86
assign ( resid 86 and name N  )
       ( resid 86 and name CA )
       ( resid 86 and name C  )
       ( resid 87 and name N  )
         1.0 129.580 10.5 2

! phi Y 87 
assign ( resid 86 and name C  )
       ( resid 87 and name N  )
       ( resid 87 and name CA )
       ( resid 87 and name C  )
         1.0 -117.140 18.21 2

! psi Y 87
assign ( resid 87 and name N  )
       ( resid 87 and name CA )
       ( resid 87 and name C  )
       ( resid 88 and name N  )
         1.0 121.300 8.94 2

! phi V 88 
assign ( resid 87 and name C  )
       ( resid 88 and name N  )
       ( resid 88 and name CA )
       ( resid 88 and name C  )
         1.0 -112.890 9.92 2

! psi V 88
assign ( resid 88 and name N  )
       ( resid 88 and name CA )
       ( resid 88 and name C  )
       ( resid 89 and name N  )
         1.0 122.080 14.47 2

! phi F 89 
assign ( resid 88 and name C  )
       ( resid 89 and name N  )
       ( resid 89 and name CA )
       ( resid 89 and name C  )
         1.0 -104.350 15.43 2

! psi F 89
assign ( resid 89 and name N  )
       ( resid 89 and name CA )
       ( resid 89 and name C  )
       ( resid 90 and name N  )
         1.0 133.610 9.99 2

! phi Q 90 
assign ( resid 89 and name C  )
       ( resid 90 and name N  )
       ( resid 90 and name CA )
       ( resid 90 and name C  )
         1.0 -135.220 14.7 2

! psi Q 90
assign ( resid 90 and name N  )
       ( resid 90 and name CA )
       ( resid 90 and name C  )
       ( resid 91 and name N  )
         1.0 152.420 18.6 2

! phi K 97 
assign ( resid 96 and name C  )
       ( resid 97 and name N  )
       ( resid 97 and name CA )
       ( resid 97 and name C  )
         1.0 -97.530 19.59 2

! psi K 97
assign ( resid 97 and name N  )
       ( resid 97 and name CA )
       ( resid 97 and name C  )
       ( resid 98 and name N  )
         1.0 132.190 13.2 2

! phi E 98 
assign ( resid 97 and name C  )
       ( resid 98 and name N  )
       ( resid 98 and name CA )
       ( resid 98 and name C  )
         1.0 -88.300 18.09 2

! psi E 98
assign ( resid 98 and name N  )
       ( resid 98 and name CA )
       ( resid 98 and name C  )
       ( resid 99 and name N  )
         1.0 129.730 19.59 2

! phi S 99 
assign ( resid 98 and name C  )
       ( resid 99 and name N  )
       ( resid 99 and name CA )
       ( resid 99 and name C  )
         1.0 -122.510 24.61 2

! psi S 99
assign ( resid 99 and name N  )
       ( resid 99 and name CA )
       ( resid 99 and name C  )
       ( resid 100 and name N  )
         1.0 143.860 20.85 2

! phi P 105 
assign ( resid 104 and name C  )
       ( resid 105 and name N  )
       ( resid 105 and name CA )
       ( resid 105 and name C  )
         1.0 -69.200 6.43 2

! psi P 105
assign ( resid 105 and name N  )
       ( resid 105 and name CA )
       ( resid 105 and name C  )
       ( resid 106 and name N  )
         1.0 146.680 8.24 2

! phi A 106 
assign ( resid 105 and name C  )
       ( resid 106 and name N  )
       ( resid 106 and name CA )
       ( resid 106 and name C  )
         1.0 -86.170 12.56 2

! psi A 106
assign ( resid 106 and name N  )
       ( resid 106 and name CA )
       ( resid 106 and name C  )
       ( resid 107 and name N  )
         1.0 125.730 14.46 2

! phi M 107 
assign ( resid 106 and name C  )
       ( resid 107 and name N  )
       ( resid 107 and name CA )
       ( resid 107 and name C  )
         1.0 -116.810 12.62 2

! psi M 107
assign ( resid 107 and name N  )
       ( resid 107 and name CA )
       ( resid 107 and name C  )
       ( resid 108 and name N  )
         1.0 140.680 15.91 2

! phi K 108 
assign ( resid 107 and name C  )
       ( resid 108 and name N  )
       ( resid 108 and name CA )
       ( resid 108 and name C  )
         1.0 -92.160 23.01 2

! psi K 108
assign ( resid 108 and name N  )
       ( resid 108 and name CA )
       ( resid 108 and name C  )
       ( resid 109 and name N  )
         1.0 127.590 29.0 2