NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
625179 | 6feg | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6feg save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 180 _TA_constraint_stats_list.Viol_count 361 _TA_constraint_stats_list.Viol_total 152677.67 _TA_constraint_stats_list.Viol_max 160.31 _TA_constraint_stats_list.Viol_rms 27.89 _TA_constraint_stats_list.Viol_average_all_restraints 8.48 _TA_constraint_stats_list.Viol_average_violations_only 42.29 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * ID of the restraint list. * 3 * Number of restraints in list. * 4 * Number of violated restraints (each model violation is used). * 5 * Sum of violations in degrees. * 6 * Maximum violation of a restraint without averaging in any way. * 7 * Rms of violations over all restraints. * 8 * Average violation over all restraints. * 9 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. Threshold for reporting violations (degrees) in the last columns of the next table. * 10 * This tag. Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. * 2 * Torsion angle name where available. * 3 * First atom's: * 4 * Chain identifier (can be absent if none defined) * 5 * Residue number * 6 * Residue name * 7 * Name of (pseudo-)atom * 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18. * 19 * Lower bound (degrees) * 20 * Upper bound (degrees) * 21 * Average angle in ensemble of models * 22 * Minimum angle in ensemble of models (counter clockwise from range) * 23 * Maximum angle in ensemble of models (clockwise from range) * 24 * Maximum violation (without any averaging) * 25 * Model number with the maximum violation * 26 * Number of models with a violation above cutoff * 27 * List of models with a violation above cutoff. See description above. * 28 * Administrative tag * 29 * Administrative tag ; loop_ _TA_constraint_stats.Restraint_ID _TA_constraint_stats.Torsion_angle_name _TA_constraint_stats.Entity_assembly_ID_1 _TA_constraint_stats.Comp_index_ID_1 _TA_constraint_stats.Comp_ID_1 _TA_constraint_stats.Atom_ID_1 _TA_constraint_stats.Entity_assembly_ID_2 _TA_constraint_stats.Comp_index_ID_2 _TA_constraint_stats.Comp_ID_2 _TA_constraint_stats.Atom_ID_2 _TA_constraint_stats.Entity_assembly_ID_3 _TA_constraint_stats.Comp_index_ID_3 _TA_constraint_stats.Comp_ID_3 _TA_constraint_stats.Atom_ID_3 _TA_constraint_stats.Entity_assembly_ID_4 _TA_constraint_stats.Comp_index_ID_4 _TA_constraint_stats.Comp_ID_4 _TA_constraint_stats.Atom_ID_4 _TA_constraint_stats.Angle_lower_bound_val _TA_constraint_stats.Angle_upper_bound_val _TA_constraint_stats.Angle_average _TA_constraint_stats.Angle_minimum _TA_constraint_stats.Angle_maximum _TA_constraint_stats.Max_violation _TA_constraint_stats.Max_violation_model_number _TA_constraint_stats.Over_cutoff_violation_count _TA_constraint_stats.Over_cutoff_violation_per_model 1 . 2 3 ASP C 2 4 GLN N 2 4 GLN CA 2 4 GLN C -161.84 -86.76 -140.75 -165.69 -96.73 3.85 2 0 "[ . 1]" 2 . 2 6 THR C 2 7 GLU N 2 7 GLU CA 2 7 GLU C -78.77 -48.13 -62.95 -77.94 -49.64 . . 0 "[ . 1]" 3 . 2 7 GLU C 2 8 GLU N 2 8 GLU CA 2 8 GLU C -76.12 -55.02 -57.56 -62.07 -53.83 1.19 1 0 "[ . 1]" 4 . 2 8 GLU C 2 9 GLN N 2 9 GLN CA 2 9 GLN C -73.72 -60.84 -61.19 -63.82 -66.98 3.62 5 0 "[ . 1]" 5 . 2 9 GLN C 2 10 ILE N 2 10 ILE CA 2 10 ILE C -88.19 -43.75 -61.59 -64.68 -59.08 . . 0 "[ . 1]" 6 . 2 10 ILE C 2 11 ALA N 2 11 ALA CA 2 11 ALA C -115.94 -30.94 -59.48 -61.53 -49.61 . . 0 "[ . 1]" 7 . 2 11 ALA C 2 12 GLU N 2 12 GLU CA 2 12 GLU C -74.86 -54.70 -59.87 -56.83 -59.05 . . 0 "[ . 1]" 8 . 2 12 GLU C 2 13 PHE N 2 13 PHE CA 2 13 PHE C -74.81 -45.07 -64.10 -63.22 -64.39 . . 0 "[ . 1]" 9 . 2 13 PHE C 2 14 LYS N 2 14 LYS CA 2 14 LYS C -75.81 -54.97 -60.21 -64.47 -57.92 . . 0 "[ . 1]" 10 . 2 14 LYS C 2 15 GLU N 2 15 GLU CA 2 15 GLU C -74.78 -48.36 -64.08 -65.01 -79.44 4.66 1 0 "[ . 1]" 11 . 2 15 GLU C 2 16 ALA N 2 16 ALA CA 2 16 ALA C -88.76 -44.10 -59.36 -60.75 -55.81 . . 0 "[ . 1]" 12 . 2 16 ALA C 2 17 PHE N 2 17 PHE CA 2 17 PHE C -96.45 -39.37 -60.63 -61.11 -62.21 . . 0 "[ . 1]" 13 . 2 17 PHE C 2 18 SER N 2 18 SER CA 2 18 SER C -70.52 -57.06 -62.06 -62.49 -75.40 4.88 1 0 "[ . 1]" 14 . 2 18 SER C 2 19 LEU N 2 19 LEU CA 2 19 LEU C -86.95 -38.15 -61.70 -64.52 -58.50 . . 0 "[ . 1]" 15 . 2 21 ASP C 2 22 LYS N 2 22 LYS CA 2 22 LYS C -159.26 -106.38 -115.02 -134.04 -96.63 9.75 9 1 "[ . +1]" 16 . 2 24 GLY C 2 25 ASP N 2 25 ASP CA 2 25 ASP C -114.59 -79.41 -89.76 -154.98 -65.32 40.39 9 5 "[ .**-+*]" 17 . 2 27 THR C 2 28 ILE N 2 28 ILE CA 2 28 ILE C -158.85 -55.81 -101.70 -118.41 -89.24 . . 0 "[ . 1]" 18 . 2 29 THR C 2 30 THR N 2 30 THR CA 2 30 THR C -78.50 -56.86 -57.85 -61.14 -55.56 1.30 4 0 "[ . 1]" 19 . 2 34 GLY C 2 35 THR N 2 35 THR CA 2 35 THR C -79.40 -40.88 -61.21 -62.66 -59.71 . . 0 "[ . 1]" 20 . 2 35 THR C 2 36 VAL N 2 36 VAL CA 2 36 VAL C -87.50 -49.16 -63.47 -66.36 -60.50 . . 0 "[ . 1]" 21 . 2 36 VAL C 2 37 MET N 2 37 MET CA 2 37 MET C -69.08 -52.18 -63.80 -75.92 -60.03 6.84 2 2 "[ +- . 1]" 22 . 2 37 MET C 2 38 ARG N 2 38 ARG CA 2 38 ARG C -113.08 -64.68 -64.95 -69.49 -58.70 5.98 6 1 "[ .+ 1]" 23 . 2 39 SER C 2 40 LEU N 2 40 LEU CA 2 40 LEU C 179.68 -94.98 -81.60 -97.26 -61.61 33.37 1 5 "[+- * **]" 24 . 2 41 GLY C 2 42 GLN N 2 42 GLN CA 2 42 GLN C -161.35 -106.45 -102.08 -105.76 -118.50 44.39 8 4 "[ .* +-*]" 25 . 2 42 GLN C 2 43 ASN N 2 43 ASN CA 2 43 ASN C 38.05 69.93 -77.47 -112.65 -116.19 156.29 5 8 "[***-+*** 1]" 26 . 2 44 PRO C 2 45 THR N 2 45 THR CA 2 45 THR C -138.27 -72.91 -84.25 -127.86 -49.50 23.41 6 6 "[* **+*- 1]" 27 . 2 45 THR C 2 46 GLU N 2 46 GLU CA 2 46 GLU C -133.54 -22.02 -59.22 -56.59 -57.48 . . 0 "[ . 1]" 28 . 2 46 GLU C 2 47 ALA N 2 47 ALA CA 2 47 ALA C -80.43 -47.59 -58.66 -58.79 -60.13 . . 0 "[ . 1]" 29 . 2 47 ALA C 2 48 GLU N 2 48 GLU CA 2 48 GLU C -78.74 -49.40 -64.65 -75.59 -58.35 . . 0 "[ . 1]" 30 . 2 48 GLU C 2 49 LEU N 2 49 LEU CA 2 49 LEU C -73.97 -50.61 -60.78 -62.19 -57.38 . . 0 "[ . 1]" 31 . 2 49 LEU C 2 50 GLN N 2 50 GLN CA 2 50 GLN C -75.82 -57.42 -61.43 -64.89 -56.78 0.64 9 0 "[ . 1]" 32 . 2 50 GLN C 2 51 ASP N 2 51 ASP CA 2 51 ASP C -72.31 -54.97 -65.72 -61.02 -62.23 8.67 10 1 "[ . +]" 33 . 2 51 ASP C 2 52 MET N 2 52 MET CA 2 52 MET C -93.92 -52.06 -59.98 -65.30 -53.65 . . 0 "[ . 1]" 34 . 2 52 MET C 2 53 ILE N 2 53 ILE CA 2 53 ILE C -119.72 -69.24 -77.35 -75.34 -88.72 8.15 9 3 "[ -. +*]" 35 . 2 53 ILE C 2 54 ASN N 2 54 ASN CA 2 54 ASN C 52.44 64.16 -81.56 -102.52 -64.21 154.96 8 10 [**-****+**] 36 . 2 54 ASN C 2 55 GLU N 2 55 GLU CA 2 55 GLU C -137.01 -55.39 -75.55 -109.90 -51.59 3.80 3 0 "[ . 1]" 37 . 2 55 GLU C 2 56 VAL N 2 56 VAL CA 2 56 VAL C -148.53 -65.53 -93.27 -144.04 -58.37 7.16 8 1 "[ . + 1]" 38 . 2 57 ASP C 2 58 ALA N 2 58 ALA CA 2 58 ALA C -136.47 -92.61 -71.40 -101.54 -59.67 32.94 3 8 "[**+-. ****]" 39 . 2 62 GLY C 2 63 THR N 2 63 THR CA 2 63 THR C -163.69 -53.29 -119.25 -150.63 -69.19 . . 0 "[ . 1]" 40 . 2 63 THR C 2 64 ILE N 2 64 ILE CA 2 64 ILE C -165.69 -51.83 -72.90 -56.20 -61.56 . . 0 "[ . 1]" 41 . 2 65 ASP C 2 66 PHE N 2 66 PHE CA 2 66 PHE C -77.74 -44.66 -62.14 -60.57 -62.00 . . 0 "[ . 1]" 42 . 2 67 PRO C 2 68 GLU N 2 68 GLU CA 2 68 GLU C -92.71 -35.15 -67.17 -60.63 -61.63 . . 0 "[ . 1]" 43 . 2 68 GLU C 2 69 PHE N 2 69 PHE CA 2 69 PHE C -90.61 -45.91 -58.85 -58.94 -59.44 . . 0 "[ . 1]" 44 . 2 71 THR C 2 72 MET N 2 72 MET CA 2 72 MET C -110.37 -51.55 -60.79 -60.06 -61.64 . . 0 "[ . 1]" 45 . 2 73 MET C 2 74 ALA N 2 74 ALA CA 2 74 ALA C -85.57 -43.51 -84.71 -104.25 -58.13 18.68 2 5 "[ +**. *- 1]" 46 . 2 74 ALA C 2 75 ARG N 2 75 ARG CA 2 75 ARG C -97.87 -49.63 -21.41 -102.07 64.56 114.19 5 4 "[* +- * 1]" 47 . 2 75 ARG C 2 76 LYS N 2 76 LYS CA 2 76 LYS C -124.00 -77.22 -125.39 -167.65 -97.30 43.65 5 3 "[ -* + 1]" 48 . 2 77 MET C 2 78 LYS N 2 78 LYS CA 2 78 LYS C -160.80 -87.52 -88.55 -122.36 -55.67 31.85 5 3 "[ + -*]" 49 . 2 79 ASP C 2 80 THR N 2 80 THR CA 2 80 THR C 25.24 119.14 -44.56 54.87 -61.99 122.26 8 6 "[* ** +*-]" 50 . 2 81 ASP C 2 82 SER N 2 82 SER CA 2 82 SER C 19.81 121.13 31.64 -110.17 83.76 128.70 3 4 "[ *+ . *-]" 51 . 2 82 SER C 2 83 GLU N 2 83 GLU CA 2 83 GLU C -81.44 -37.64 -63.83 -91.15 -47.89 9.71 3 1 "[ + . 1]" 52 . 2 83 GLU C 2 84 GLU N 2 84 GLU CA 2 84 GLU C -71.36 -54.40 -63.42 -79.90 -52.85 8.54 10 1 "[ . +]" 53 . 2 84 GLU C 2 85 GLU N 2 85 GLU CA 2 85 GLU C -75.64 -51.54 -64.14 -75.77 -60.19 0.13 3 0 "[ . 1]" 54 . 2 85 GLU C 2 86 ILE N 2 86 ILE CA 2 86 ILE C -88.01 -43.99 -68.90 -68.11 -72.58 . . 0 "[ . 1]" 55 . 2 86 ILE C 2 87 ARG N 2 87 ARG CA 2 87 ARG C -103.69 -49.11 -61.33 -65.78 -54.50 . . 0 "[ . 1]" 56 . 2 88 GLU C 2 89 ALA N 2 89 ALA CA 2 89 ALA C -70.07 -52.79 -60.77 -60.49 -60.93 . . 0 "[ . 1]" 57 . 2 89 ALA C 2 90 PHE N 2 90 PHE CA 2 90 PHE C -70.64 -58.72 -60.94 -59.96 -60.38 . . 0 "[ . 1]" 58 . 2 90 PHE C 2 91 ARG N 2 91 ARG CA 2 91 ARG C -112.66 -51.62 -61.18 -66.64 -51.90 . . 0 "[ . 1]" 59 . 2 92 VAL C 2 93 PHE N 2 93 PHE CA 2 93 PHE C -161.32 -41.24 -112.03 -115.26 -123.34 . . 0 "[ . 1]" 60 . 2 95 LYS C 2 96 ASP N 2 96 ASP CA 2 96 ASP C -170.42 -89.26 -158.79 51.17 -127.91 138.41 8 2 "[ .- + 1]" 61 . 2 99 GLY C 2 100 TYR N 2 100 TYR CA 2 100 TYR C -175.41 -108.39 -142.76 -139.77 -144.79 . . 0 "[ . 1]" 62 . 2 100 TYR C 2 101 ILE N 2 101 ILE CA 2 101 ILE C -150.83 -97.99 -120.11 -131.14 -114.46 . . 0 "[ . 1]" 63 . 2 101 ILE C 2 102 SER N 2 102 SER CA 2 102 SER C -128.11 -56.05 -80.21 -67.52 -68.34 . . 0 "[ . 1]" 64 . 2 102 SER C 2 103 ALA N 2 103 ALA CA 2 103 ALA C -109.94 -26.64 -59.52 -61.38 -57.86 . . 0 "[ . 1]" 65 . 2 103 ALA C 2 104 ALA N 2 104 ALA CA 2 104 ALA C -71.70 -47.82 -61.48 -61.57 -61.72 . . 0 "[ . 1]" 66 . 2 105 GLU C 2 106 LEU N 2 106 LEU CA 2 106 LEU C -73.36 -49.94 -59.82 -57.33 -58.33 . . 0 "[ . 1]" 67 . 2 106 LEU C 2 107 ARG N 2 107 ARG CA 2 107 ARG C -75.74 -49.50 -62.70 -58.33 -62.93 . . 0 "[ . 1]" 68 . 2 107 ARG C 2 108 HIS N 2 108 HIS CA 2 108 HIS C -99.44 -44.56 -62.96 -64.41 -59.64 . . 0 "[ . 1]" 69 . 2 109 VAL C 2 110 MET N 2 110 MET CA 2 110 MET C -121.36 -62.48 -70.85 -103.62 -61.32 1.16 10 0 "[ . 1]" 70 . 2 111 THR C 2 112 ASN N 2 112 ASN CA 2 112 ASN C -160.64 -71.64 -106.78 -100.59 -104.67 . . 0 "[ . 1]" 71 . 2 112 ASN C 2 113 LEU N 2 113 LEU CA 2 113 LEU C -174.05 -94.25 -116.39 -111.70 -118.20 . . 0 "[ . 1]" 72 . 2 114 GLY C 2 115 GLU N 2 115 GLU CA 2 115 GLU C -111.06 -57.72 -81.41 -84.81 -87.42 1.64 7 0 "[ . 1]" 73 . 2 117 LEU C 2 118 THR N 2 118 THR CA 2 118 THR C -140.58 -59.92 -77.87 -75.50 -82.17 . . 0 "[ . 1]" 74 . 2 118 THR C 2 119 ASP N 2 119 ASP CA 2 119 ASP C -72.10 -52.20 -56.34 -59.72 -53.98 . . 0 "[ . 1]" 75 . 2 119 ASP C 2 120 GLU N 2 120 GLU CA 2 120 GLU C -74.23 -56.63 -57.33 -62.26 -49.80 6.83 5 1 "[ + 1]" 76 . 2 120 GLU C 2 121 GLU N 2 121 GLU CA 2 121 GLU C -94.45 -51.43 -68.48 -63.54 -71.64 . . 0 "[ . 1]" 77 . 2 123 ASP C 2 124 GLU N 2 124 GLU CA 2 124 GLU C -80.51 -52.11 -58.92 -62.77 -55.91 . . 0 "[ . 1]" 78 . 2 124 GLU C 2 125 MET N 2 125 MET CA 2 125 MET C -84.87 -54.31 -64.29 -57.62 -58.94 . . 0 "[ . 1]" 79 . 2 125 MET C 2 126 ILE N 2 126 ILE CA 2 126 ILE C -89.73 -43.41 -63.15 -76.93 -59.24 . . 0 "[ . 1]" 80 . 2 126 ILE C 2 127 ARG N 2 127 ARG CA 2 127 ARG C -113.55 -55.37 -63.37 -60.74 -60.95 . . 0 "[ . 1]" 81 . 2 133 GLY C 2 134 ASP N 2 134 ASP CA 2 134 ASP C -131.47 -71.69 -73.53 -102.95 -57.29 14.40 9 4 "[ *- *+1]" 82 . 2 136 GLN C 2 137 VAL N 2 137 VAL CA 2 137 VAL C -158.47 -74.29 -116.06 -134.47 -96.74 . . 0 "[ . 1]" 83 . 2 138 ASN C 2 139 TYR N 2 139 TYR CA 2 139 TYR C -79.02 -52.68 -81.27 -106.59 -58.74 27.57 3 4 "[ -+ .* * 1]" 84 . 2 139 TYR C 2 140 GLU N 2 140 GLU CA 2 140 GLU C -71.62 -56.36 -62.04 -64.43 -58.73 . . 0 "[ . 1]" 85 . 2 140 GLU C 2 141 GLU N 2 141 GLU CA 2 141 GLU C -75.81 -54.69 -65.28 -58.07 -60.56 . . 0 "[ . 1]" 86 . 2 141 GLU C 2 142 PHE N 2 142 PHE CA 2 142 PHE C -74.37 -50.03 -62.84 -77.23 -58.58 2.86 4 0 "[ . 1]" 87 . 2 142 PHE C 2 143 VAL N 2 143 VAL CA 2 143 VAL C -81.98 -48.04 -60.24 -63.03 -58.32 . . 0 "[ . 1]" 88 . 2 143 VAL C 2 144 GLN N 2 144 GLN CA 2 144 GLN C -70.15 -47.41 -60.25 -64.05 -54.53 . . 0 "[ . 1]" 89 . 2 144 GLN C 2 145 MET N 2 145 MET CA 2 145 MET C -105.33 -37.97 -60.45 -59.96 -60.89 . . 0 "[ . 1]" 90 . 2 147 THR C 2 148 ALA N 2 148 ALA CA 2 148 ALA C -79.70 -41.02 -50.38 78.14 -50.90 119.93 2 2 "[ +- . 1]" 91 . 2 4 GLN N 2 4 GLN CA 2 4 GLN C 2 5 LEU N 129.50 -170.50 146.55 163.39 156.55 3.36 6 0 "[ . 1]" 92 . 2 7 GLU N 2 7 GLU CA 2 7 GLU C 2 8 GLU N -49.97 16.95 -28.52 -42.13 -12.29 . . 0 "[ . 1]" 93 . 2 8 GLU N 2 8 GLU CA 2 8 GLU C 2 9 GLN N -55.64 -33.42 -40.94 -49.17 -32.46 0.96 5 0 "[ . 1]" 94 . 2 9 GLN N 2 9 GLN CA 2 9 GLN C 2 10 ILE N -55.20 -25.30 -38.64 -46.71 -23.69 1.61 1 0 "[ . 1]" 95 . 2 10 ILE N 2 10 ILE CA 2 10 ILE C 2 11 ALA N -56.00 -22.48 -40.51 -45.01 -30.89 . . 0 "[ . 1]" 96 . 2 11 ALA N 2 11 ALA CA 2 11 ALA C 2 12 GLU N -55.46 -22.16 -43.10 -46.00 -41.17 . . 0 "[ . 1]" 97 . 2 12 GLU N 2 12 GLU CA 2 12 GLU C 2 13 PHE N -56.68 -30.96 -44.11 -46.94 -40.63 . . 0 "[ . 1]" 98 . 2 13 PHE N 2 13 PHE CA 2 13 PHE C 2 14 LYS N -51.60 -25.14 -43.85 -49.61 -40.54 . . 0 "[ . 1]" 99 . 2 14 LYS N 2 14 LYS CA 2 14 LYS C 2 15 GLU N -55.22 -21.50 -43.96 -44.84 -46.91 . . 0 "[ . 1]" 100 . 2 15 GLU N 2 15 GLU CA 2 15 GLU C 2 16 ALA N -63.23 -10.73 -42.38 -45.10 -25.91 . . 0 "[ . 1]" 101 . 2 16 ALA N 2 16 ALA CA 2 16 ALA C 2 17 PHE N -62.71 -19.33 -44.02 -40.70 -42.53 . . 0 "[ . 1]" 102 . 2 17 PHE N 2 17 PHE CA 2 17 PHE C 2 18 SER N -71.36 -2.64 -42.56 -36.46 -39.91 . . 0 "[ . 1]" 103 . 2 18 SER N 2 18 SER CA 2 18 SER C 2 19 LEU N -58.74 -21.62 -38.50 -43.20 -20.52 1.10 1 0 "[ . 1]" 104 . 2 19 LEU N 2 19 LEU CA 2 19 LEU C 2 20 PHE N -43.03 -6.77 -41.04 -34.16 -38.09 3.03 5 0 "[ . 1]" 105 . 2 22 LYS N 2 22 LYS CA 2 22 LYS C 2 23 ASP N 131.89 -172.05 36.91 -21.87 131.57 150.53 4 7 "[ **+- * **]" 106 . 2 25 ASP N 2 25 ASP CA 2 25 ASP C 2 26 GLY N -12.27 32.03 -21.00 -21.25 -22.47 28.50 7 8 "[** ***+- *]" 107 . 2 28 ILE N 2 28 ILE CA 2 28 ILE C 2 29 THR N 139.32 -163.66 122.84 121.72 118.43 28.45 8 9 [*******+-1] 108 . 2 30 THR N 2 30 THR CA 2 30 THR C 2 31 LYS N -51.29 -22.25 -39.09 -38.16 -39.98 . . 0 "[ . 1]" 109 . 2 35 THR N 2 35 THR CA 2 35 THR C 2 36 VAL N -58.09 1.27 -44.52 -47.18 -40.80 . . 0 "[ . 1]" 110 . 2 36 VAL N 2 36 VAL CA 2 36 VAL C 2 37 MET N -50.90 -28.96 -42.79 -43.94 -47.33 . . 0 "[ . 1]" 111 . 2 37 MET N 2 37 MET CA 2 37 MET C 2 38 ARG N -56.16 -15.94 -36.13 -21.98 -32.48 . . 0 "[ . 1]" 112 . 2 38 ARG N 2 38 ARG CA 2 38 ARG C 2 39 SER N -54.24 21.92 -42.12 -42.34 -42.56 . . 0 "[ . 1]" 113 . 2 40 LEU N 2 40 LEU CA 2 40 LEU C 2 41 GLY N 98.60 -173.30 -11.06 -32.00 -41.75 131.55 1 10 [+-********] 114 . 2 42 GLN N 2 42 GLN CA 2 42 GLN C 2 43 ASN N 102.40 -158.12 96.35 132.83 119.72 101.27 10 4 "[ *. * -+]" 115 . 2 43 ASN N 2 43 ASN CA 2 43 ASN C 2 44 PRO N 25.85 65.23 108.32 106.35 106.06 78.23 6 8 "[-****+** 1]" 116 . 2 45 THR N 2 45 THR CA 2 45 THR C 2 46 GLU N 52.61 -167.53 145.73 130.03 152.58 . . 0 "[ . 1]" 117 . 2 46 GLU N 2 46 GLU CA 2 46 GLU C 2 47 ALA N -78.20 41.54 -37.73 -41.69 -34.67 . . 0 "[ . 1]" 118 . 2 47 ALA N 2 47 ALA CA 2 47 ALA C 2 48 GLU N -53.84 -25.86 -42.87 -44.06 -45.67 . . 0 "[ . 1]" 119 . 2 48 GLU N 2 48 GLU CA 2 48 GLU C 2 49 LEU N -57.51 -26.19 -38.45 -23.83 -37.47 8.21 3 1 "[ + . 1]" 120 . 2 49 LEU N 2 49 LEU CA 2 49 LEU C 2 50 GLN N -53.96 -25.64 -41.51 -43.58 -38.54 . . 0 "[ . 1]" 121 . 2 50 GLN N 2 50 GLN CA 2 50 GLN C 2 51 ASP N -55.06 -32.54 -41.71 -50.63 -33.45 . . 0 "[ . 1]" 122 . 2 51 ASP N 2 51 ASP CA 2 51 ASP C 2 52 MET N -53.37 -34.39 -38.14 -42.53 -44.01 13.41 10 2 "[ . -+]" 123 . 2 52 MET N 2 52 MET CA 2 52 MET C 2 53 ILE N -53.69 -18.87 -41.88 -41.34 -42.46 . . 0 "[ . 1]" 124 . 2 53 ILE N 2 53 ILE CA 2 53 ILE C 2 54 ASN N -24.77 27.43 -15.75 -39.12 12.97 14.35 4 4 "[ -+. **]" 125 . 2 54 ASN N 2 54 ASN CA 2 54 ASN C 2 55 GLU N 18.63 46.57 -27.53 -0.01 -15.91 77.02 1 10 [+-********] 126 . 2 55 GLU N 2 55 GLU CA 2 55 GLU C 2 56 VAL N -41.81 19.47 -46.81 7.65 -38.78 36.54 8 4 "[ * +-*]" 127 . 2 56 VAL N 2 56 VAL CA 2 56 VAL C 2 57 ASP N 114.72 155.64 150.26 -160.97 166.05 139.64 4 6 "[** +. * *-]" 128 . 2 58 ALA N 2 58 ALA CA 2 58 ALA C 2 59 ASP N -58.62 49.38 -25.35 -47.93 9.85 . . 0 "[ . 1]" 129 . 2 63 THR N 2 63 THR CA 2 63 THR C 2 64 ILE N 94.36 157.96 125.36 96.76 153.31 . . 0 "[ . 1]" 130 . 2 64 ILE N 2 64 ILE CA 2 64 ILE C 2 65 ASP N -50.84 66.10 113.21 -42.12 134.57 68.47 10 8 "[* ****-*+]" 131 . 2 66 PHE N 2 66 PHE CA 2 66 PHE C 2 67 PRO N -72.93 4.37 -41.72 -42.63 -43.37 . . 0 "[ . 1]" 132 . 2 68 GLU N 2 68 GLU CA 2 68 GLU C 2 69 PHE N -73.31 0.51 -36.34 -41.80 -44.57 . . 0 "[ . 1]" 133 . 2 69 PHE N 2 69 PHE CA 2 69 PHE C 2 70 LEU N -71.46 10.54 -43.65 -45.06 -46.24 . . 0 "[ . 1]" 134 . 2 72 MET N 2 72 MET CA 2 72 MET C 2 73 MET N -42.48 19.48 -46.10 -44.54 -45.69 8.03 10 1 "[ . +]" 135 . 2 74 ALA N 2 74 ALA CA 2 74 ALA C 2 75 ARG N -48.41 -10.77 -30.37 -13.13 -36.37 26.05 4 4 "[* +- * 1]" 136 . 2 75 ARG N 2 75 ARG CA 2 75 ARG C 2 76 LYS N -55.54 0.58 -61.98 -66.13 -97.14 72.67 8 4 "[* -* + 1]" 137 . 2 76 LYS N 2 76 LYS CA 2 76 LYS C 2 77 MET N -37.03 45.95 -40.34 -149.55 22.39 112.52 3 4 "[ *+ . *-]" 138 . 2 78 LYS N 2 78 LYS CA 2 78 LYS C 2 79 ASP N 128.65 -176.07 44.24 -22.71 130.86 151.36 10 8 "[ ***.**-*+]" 139 . 2 80 THR N 2 80 THR CA 2 80 THR C 2 81 ASP N -36.60 71.40 25.50 -39.98 89.25 17.85 5 1 "[ + 1]" 140 . 2 82 SER N 2 82 SER CA 2 82 SER C 2 83 GLU N -20.14 71.62 29.26 2.95 48.44 . . 0 "[ . 1]" 141 . 2 83 GLU N 2 83 GLU CA 2 83 GLU C 2 84 GLU N -67.56 -18.98 -37.99 -21.39 -37.21 16.85 3 1 "[ + . 1]" 142 . 2 84 GLU N 2 84 GLU CA 2 84 GLU C 2 85 GLU N -59.22 -23.80 -40.08 -47.27 -24.57 . . 0 "[ . 1]" 143 . 2 85 GLU N 2 85 GLU CA 2 85 GLU C 2 86 ILE N -52.61 -24.79 -41.19 -33.46 -42.29 0.70 3 0 "[ . 1]" 144 . 2 86 ILE N 2 86 ILE CA 2 86 ILE C 2 87 ARG N -55.46 -22.98 -40.59 -48.26 -53.82 . . 0 "[ . 1]" 145 . 2 87 ARG N 2 87 ARG CA 2 87 ARG C 2 88 GLU N -70.03 23.95 -46.43 -46.14 -48.72 . . 0 "[ . 1]" 146 . 2 89 ALA N 2 89 ALA CA 2 89 ALA C 2 90 PHE N -58.21 -14.31 -43.17 -47.52 -41.61 . . 0 "[ . 1]" 147 . 2 90 PHE N 2 90 PHE CA 2 90 PHE C 2 91 ARG N -50.67 -32.69 -39.01 -36.93 -38.09 . . 0 "[ . 1]" 148 . 2 91 ARG N 2 91 ARG CA 2 91 ARG C 2 92 VAL N -62.72 -0.12 -20.19 -17.32 -18.83 . . 0 "[ . 1]" 149 . 2 93 PHE N 2 93 PHE CA 2 93 PHE C 2 94 ASP N 105.12 163.80 2.52 26.15 22.73 126.42 4 10 [*-*+******] 150 . 2 96 ASP N 2 96 ASP CA 2 96 ASP C 2 97 GLY N 103.73 177.05 144.15 8.17 174.07 95.56 6 2 "[ .+ - 1]" 151 . 2 100 TYR N 2 100 TYR CA 2 100 TYR C 2 101 ILE N 115.85 160.53 155.76 147.26 163.31 2.78 7 0 "[ . 1]" 152 . 2 101 ILE N 2 101 ILE CA 2 101 ILE C 2 102 SER N 106.53 160.77 145.89 137.85 128.93 4.24 4 0 "[ . 1]" 153 . 2 102 SER N 2 102 SER CA 2 102 SER C 2 103 ALA N 151.73 -148.73 137.39 129.57 143.58 22.16 2 10 [-+********] 154 . 2 103 ALA N 2 103 ALA CA 2 103 ALA C 2 104 ALA N -81.17 17.97 -43.04 -45.46 -40.21 . . 0 "[ . 1]" 155 . 2 104 ALA N 2 104 ALA CA 2 104 ALA C 2 105 GLU N -54.01 -28.17 -44.35 -45.89 -48.78 . . 0 "[ . 1]" 156 . 2 106 LEU N 2 106 LEU CA 2 106 LEU C 2 107 ARG N -51.81 -25.29 -43.02 -46.27 -38.15 . . 0 "[ . 1]" 157 . 2 107 ARG N 2 107 ARG CA 2 107 ARG C 2 108 HIS N -50.40 -35.30 -44.10 -50.42 -40.68 0.02 3 0 "[ . 1]" 158 . 2 108 HIS N 2 108 HIS CA 2 108 HIS C 2 109 VAL N -60.71 -16.69 -45.31 -44.70 -45.03 . . 0 "[ . 1]" 159 . 2 110 MET N 2 110 MET CA 2 110 MET C 2 111 THR N -49.48 0.48 -31.02 -25.55 -39.58 . . 0 "[ . 1]" 160 . 2 112 ASN N 2 112 ASN CA 2 112 ASN C 2 113 LEU N 137.10 172.58 -12.34 -28.07 3.03 160.31 10 10 [*******-*+] 161 . 2 113 LEU N 2 113 LEU CA 2 113 LEU C 2 114 GLY N 121.43 -179.31 159.81 163.59 158.23 . . 0 "[ . 1]" 162 . 2 115 GLU N 2 115 GLU CA 2 115 GLU C 2 116 LYS N -34.00 13.10 -9.81 -43.16 14.59 9.16 7 1 "[ . + 1]" 163 . 2 118 THR N 2 118 THR CA 2 118 THR C 2 119 ASP N 101.20 -126.78 151.92 136.72 170.64 . . 0 "[ . 1]" 164 . 2 119 ASP N 2 119 ASP CA 2 119 ASP C 2 120 GLU N -56.33 -0.05 -39.45 -42.43 -36.27 . . 0 "[ . 1]" 165 . 2 120 GLU N 2 120 GLU CA 2 120 GLU C 2 121 GLU N -51.48 -35.02 -40.09 -41.82 -42.00 10.29 4 1 "[ +. 1]" 166 . 2 121 GLU N 2 121 GLU CA 2 121 GLU C 2 122 VAL N -56.25 -0.25 -34.16 -44.43 -18.96 . . 0 "[ . 1]" 167 . 2 124 GLU N 2 124 GLU CA 2 124 GLU C 2 125 MET N -59.33 -23.99 -41.19 -47.76 -34.60 . . 0 "[ . 1]" 168 . 2 125 MET N 2 125 MET CA 2 125 MET C 2 126 ILE N -51.22 -25.44 -41.86 -49.74 -27.66 . . 0 "[ . 1]" 169 . 2 126 ILE N 2 126 ILE CA 2 126 ILE C 2 127 ARG N -76.41 2.31 -40.36 -45.59 -25.32 . . 0 "[ . 1]" 170 . 2 127 ARG N 2 127 ARG CA 2 127 ARG C 2 128 GLU N -68.60 35.02 -32.20 -47.31 -15.28 . . 0 "[ . 1]" 171 . 2 134 ASP N 2 134 ASP CA 2 134 ASP C 2 135 GLY N -29.58 40.32 -14.97 57.61 5.71 120.98 3 7 "[ *+ -* ***]" 172 . 2 137 VAL N 2 137 VAL CA 2 137 VAL C 2 138 ASN N 133.56 -171.78 122.09 115.88 129.17 17.68 3 9 [-*+*.*****] 173 . 2 139 TYR N 2 139 TYR CA 2 139 TYR C 2 140 GLU N -51.93 -19.61 -27.47 -21.11 -40.11 12.15 2 2 "[ + . - 1]" 174 . 2 140 GLU N 2 140 GLU CA 2 140 GLU C 2 141 GLU N -59.28 -16.10 -44.11 -41.66 -43.29 . . 0 "[ . 1]" 175 . 2 141 GLU N 2 141 GLU CA 2 141 GLU C 2 142 PHE N -54.40 -34.04 -38.17 -40.74 -42.01 11.24 3 1 "[ + . 1]" 176 . 2 142 PHE N 2 142 PHE CA 2 142 PHE C 2 143 VAL N -53.39 -28.77 -39.89 -44.75 -28.20 0.57 4 0 "[ . 1]" 177 . 2 143 VAL N 2 143 VAL CA 2 143 VAL C 2 144 GLN N -55.35 -20.03 -42.93 -45.79 -41.03 . . 0 "[ . 1]" 178 . 2 144 GLN N 2 144 GLN CA 2 144 GLN C 2 145 MET N -54.70 -18.28 -43.16 -40.47 -42.40 . . 0 "[ . 1]" 179 . 2 145 MET N 2 145 MET CA 2 145 MET C 2 146 MET N -63.92 -20.38 -43.32 -44.91 -46.21 . . 0 "[ . 1]" 180 . 2 148 ALA N 2 148 ALA CA 2 148 ALA C 2 149 LYS N -66.60 -6.04 -60.84 -51.88 147.90 149.07 8 4 "[* *- + 1]" stop_ save_
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