NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
613893 | 5u4k | 26867 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5u4k save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 37 _TA_constraint_stats_list.Viol_count 141 _TA_constraint_stats_list.Viol_total 128854.23 _TA_constraint_stats_list.Viol_max 152.28 _TA_constraint_stats_list.Viol_rms 30.40 _TA_constraint_stats_list.Viol_average_all_restraints 8.71 _TA_constraint_stats_list.Viol_average_violations_only 45.69 _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 . 1 6 TRP N 1 6 TRP CA 1 6 TRP C 1 7 HIS N -46.00 -6.00 -32.43 -18.60 -24.75 . . 0 "[ . 1 . 2]" 2 . 1 6 TRP C 1 7 HIS N 1 7 HIS CA 1 7 HIS C -91.00 -51.00 -70.67 -80.86 -62.99 . . 0 "[ . 1 . 2]" 3 . 1 7 HIS N 1 7 HIS CA 1 7 HIS C 1 8 GLU N -50.00 -10.00 -22.78 -18.94 -32.19 . . 0 "[ . 1 . 2]" 4 . 1 7 HIS C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -88.00 -50.00 -84.37 -88.35 -90.82 3.05 19 0 "[ . 1 . 2]" 5 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 HIS N -53.00 -13.00 -21.02 -38.87 -3.32 9.68 1 2 "[+ . 1 . -2]" 6 . 1 8 GLU C 1 9 HIS N 1 9 HIS CA 1 9 HIS C -87.00 -45.00 -103.50 -99.16 -102.13 28.76 20 18 "[* *-******* *******+]" 7 . 1 9 HIS N 1 9 HIS CA 1 9 HIS C 1 10 VAL N -60.00 -16.00 -24.57 -21.25 -22.12 . . 0 "[ . 1 . 2]" 8 . 1 9 HIS C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -89.00 -49.00 -81.65 -88.01 -77.07 . . 0 "[ . 1 . 2]" 9 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 THR N -56.00 -16.00 127.77 128.37 127.45 152.28 7 20 [******+***-*********] 10 . 1 10 VAL C 1 11 THR N 1 11 THR CA 1 11 THR C -86.00 -48.00 -110.46 -113.61 -104.40 27.61 11 20 [***-******+*********] 11 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 GLN N -54.00 -14.00 -177.31 -176.67 -179.93 130.46 14 20 [**********-**+******] 12 . 1 11 THR C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -81.00 -45.00 -74.21 -79.51 -66.20 . . 0 "[ . 1 . 2]" 13 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 ASP N -52.00 -12.00 -18.27 -17.87 -18.10 . . 0 "[ . 1 . 2]" 14 . 1 12 GLN C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -107.00 -55.00 -82.37 -83.30 -84.00 . . 0 "[ . 1 . 2]" 15 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 LEU N -49.00 1.00 -32.84 -26.54 -28.22 . . 0 "[ . 1 . 2]" 16 . 1 13 ASP C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -113.00 -53.00 -64.67 -67.38 -68.79 . . 0 "[ . 1 . 2]" 17 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ARG N -51.00 -1.00 -47.12 -50.96 -41.26 . . 0 "[ . 1 . 2]" 18 . 1 14 LEU C 1 15 ARG N 1 15 ARG CA 1 15 ARG C -95.70 -55.70 -58.85 -64.74 -53.83 1.87 14 0 "[ . 1 . 2]" 19 . 1 15 ARG N 1 15 ARG CA 1 15 ARG C 1 16 SER N -60.00 -20.00 -26.16 -32.48 -21.79 . . 0 "[ . 1 . 2]" 20 . 1 15 ARG C 1 16 SER N 1 16 SER CA 1 16 SER C -87.00 -47.00 -82.14 -83.84 -84.12 . . 0 "[ . 1 . 2]" 21 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 HIS N -50.00 -10.00 -30.80 -32.17 -32.58 . . 0 "[ . 1 . 2]" 22 . 1 16 SER C 1 17 HIS N 1 17 HIS CA 1 17 HIS C -81.00 -45.00 -81.28 -81.09 -82.21 5.36 5 1 "[ + 1 . 2]" 23 . 1 17 HIS N 1 17 HIS CA 1 17 HIS C 1 18 LEU N -59.00 -23.00 -24.38 -36.17 -19.98 3.02 19 0 "[ . 1 . 2]" 24 . 1 17 HIS C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -84.00 -48.00 -73.90 -83.32 -63.46 . . 0 "[ . 1 . 2]" 25 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 VAL N -55.00 -23.00 -32.70 -32.59 -32.91 . . 0 "[ . 1 . 2]" 26 . 1 18 LEU C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -85.00 -45.00 -78.47 -83.49 -68.20 . . 0 "[ . 1 . 2]" 27 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 HIS N -55.00 -15.00 -32.20 -31.15 -32.34 . . 0 "[ . 1 . 2]" 28 . 1 19 VAL C 1 20 HIS N 1 20 HIS CA 1 20 HIS C -87.00 -49.00 -76.33 -84.05 -70.94 . . 0 "[ . 1 . 2]" 29 . 1 20 HIS N 1 20 HIS CA 1 20 HIS C 1 21 LYS N -52.00 -12.00 -17.25 -16.91 -16.96 . . 0 "[ . 1 . 2]" 30 . 1 20 HIS C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -75.00 -45.00 -84.28 -86.15 -81.37 11.15 14 20 [*********-***+******] 31 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 LEU N -57.00 -17.00 -24.30 -29.67 -19.94 . . 0 "[ . 1 . 2]" 32 . 1 21 LYS C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -94.00 -56.00 -86.28 -88.10 -78.06 . . 0 "[ . 1 . 2]" 33 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 VAL N -56.00 -12.00 -43.72 -57.88 -37.93 1.88 10 0 "[ . 1 . 2]" 34 . 1 22 LEU C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -104.40 -64.40 -70.47 -76.66 -61.15 3.25 10 0 "[ . 1 . 2]" 35 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 GLN N -36.60 3.40 -24.99 -22.63 -23.57 . . 0 "[ . 1 . 2]" 36 . 1 23 VAL C 1 24 GLN N 1 24 GLN CA 1 24 GLN C -119.90 -63.30 -82.24 -84.97 -79.13 . . 0 "[ . 1 . 2]" 37 . 1 24 GLN N 1 24 GLN CA 1 24 GLN C 1 25 ALA N -41.70 12.10 -30.11 -39.01 -25.72 . . 0 "[ . 1 . 2]" stop_ save_ save_dihedral_constraint_statistics_2 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 61 _TA_constraint_stats_list.Viol_count 745 _TA_constraint_stats_list.Viol_total 771835.25 _TA_constraint_stats_list.Viol_max 159.62 _TA_constraint_stats_list.Viol_rms 47.79 _TA_constraint_stats_list.Viol_average_all_restraints 31.63 _TA_constraint_stats_list.Viol_average_violations_only 51.80 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details . 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 1 GLY C 2 2 SER N 2 2 SER CA 2 2 SER C -89.80 -49.80 -110.26 -123.55 62.59 112.39 18 20 [*****-***********+**] 2 . 2 2 SER N 2 2 SER CA 2 2 SER C 2 3 PRO N 122.20 162.20 126.34 123.37 121.85 27.32 5 2 "[ + - . 2]" 3 . 2 3 PRO C 2 4 GLY N 2 4 GLY CA 2 4 GLY C -146.50 -31.50 168.97 112.49 -116.98 101.01 9 14 "[*** ***-+** * . ***2]" 4 . 2 4 GLY N 2 4 GLY CA 2 4 GLY C 2 5 TYR N 126.70 -172.70 153.56 47.34 -21.18 147.88 15 9 "[* *.- *1 * *+ * *]" 5 . 2 5 TYR C 2 6 PRO N 2 6 PRO CA 2 6 PRO C -84.10 -44.10 -69.42 -65.86 -67.31 . . 0 "[ . 1 . 2]" 6 . 2 6 PRO N 2 6 PRO CA 2 6 PRO C 2 7 ASN N -50.50 -8.90 136.57 105.44 -10.44 156.08 7 15 "[**-*. +* *****.** **]" 7 . 2 6 PRO C 2 7 ASN N 2 7 ASN CA 2 7 ASN C -86.30 -46.30 -115.46 -146.63 64.38 110.68 8 18 "[*******+ *****- ****]" 8 . 2 7 ASN N 2 7 ASN CA 2 7 ASN C 2 8 GLY N -53.40 -13.40 102.35 134.69 130.98 154.99 13 12 "[****- * 1* + .****2]" 9 . 2 7 ASN C 2 8 GLY N 2 8 GLY CA 2 8 GLY C -90.60 -50.60 150.77 129.23 123.99 159.62 7 20 [******+*-***********] 10 . 2 8 GLY N 2 8 GLY CA 2 8 GLY C 2 9 LEU N -43.40 -3.40 98.13 -49.59 -121.85 158.15 9 18 "[*** ****+****-* ****]" 11 . 2 8 GLY C 2 9 LEU N 2 9 LEU CA 2 9 LEU C -123.00 -83.00 -116.48 -124.61 -125.44 143.87 11 3 "[ . - 1+ * 2]" 12 . 2 9 LEU N 2 9 LEU CA 2 9 LEU C 2 10 LEU N -24.90 20.70 20.67 -83.43 -154.96 140.09 7 14 "[* *. +-*** *******2]" 13 . 2 9 LEU C 2 10 LEU N 2 10 LEU CA 2 10 LEU C -130.00 -70.20 -75.21 -119.58 66.56 136.76 7 4 "[* . + 1 - .* 2]" 14 . 2 10 LEU N 2 10 LEU CA 2 10 LEU C 2 11 SER N 127.70 171.90 0.60 -10.36 -12.76 152.35 17 20 [*******-********+***] 15 . 2 10 LEU C 2 11 SER N 2 11 SER CA 2 11 SER C -111.00 -55.20 -143.95 58.27 -125.24 118.51 8 20 [*******+******-*****] 16 . 2 11 SER N 2 11 SER CA 2 11 SER C 2 12 GLY N 143.70 -176.30 38.14 66.54 41.28 157.49 17 20 [*****-**********+***] 17 . 2 11 SER C 2 12 GLY N 2 12 GLY CA 2 12 GLY C -78.40 -38.40 -143.44 91.28 -90.22 148.41 17 20 [***************-+***] 18 . 2 12 GLY N 2 12 GLY CA 2 12 GLY C 2 13 ASP N -59.50 -19.50 -27.83 -42.52 -44.29 112.39 17 13 "[ ***-***** *. +* *]" 19 . 2 12 GLY C 2 13 ASP N 2 13 ASP CA 2 13 ASP C -84.50 -44.50 -128.12 -117.48 -121.68 53.74 10 20 [*********+*-********] 20 . 2 13 ASP N 2 13 ASP CA 2 13 ASP C 2 14 GLU N -60.30 -20.30 -0.69 1.38 -0.10 54.39 4 19 [***+***-***********2] 21 . 2 13 ASP C 2 14 GLU N 2 14 GLU CA 2 14 GLU C -85.90 -45.90 -101.17 -97.85 -99.66 32.79 8 20 [******-+************] 22 . 2 14 GLU N 2 14 GLU CA 2 14 GLU C 2 15 ASP N -63.30 -23.30 -4.46 -5.28 -3.22 20.08 4 20 [***+*********-******] 23 . 2 14 GLU C 2 15 ASP N 2 15 ASP CA 2 15 ASP C -82.80 -42.80 -86.65 -87.50 -89.06 9.26 5 10 "[- +* * 1* ** ***]" 24 . 2 15 ASP N 2 15 ASP CA 2 15 ASP C 2 16 PHE N -62.20 -22.20 -22.05 -50.16 -9.24 12.96 3 9 "[ + . ** 1 **** -*]" 25 . 2 15 ASP C 2 16 PHE N 2 16 PHE CA 2 16 PHE C -83.20 -43.20 -84.26 -89.28 -66.75 6.08 6 7 "[ * *.+ -* . * *]" 26 . 2 16 PHE N 2 16 PHE CA 2 16 PHE C 2 17 SER N -58.10 -18.10 -12.64 -11.81 -12.01 7.84 19 17 "[***-* **** * *****+*]" 27 . 2 16 PHE C 2 17 SER N 2 17 SER CA 2 17 SER C -86.20 -46.20 -72.47 -66.71 -67.53 . . 0 "[ . 1 . 2]" 28 . 2 17 SER N 2 17 SER CA 2 17 SER C 2 18 SER N -60.30 -20.30 -25.19 -39.03 -15.94 4.36 4 0 "[ . 1 . 2]" 29 . 2 17 SER C 2 18 SER N 2 18 SER CA 2 18 SER C -85.10 -45.10 -88.29 -91.26 -78.18 6.16 16 8 "[ *. * 1* *-*+ *2]" 30 . 2 18 SER N 2 18 SER CA 2 18 SER C 2 19 ILE N -62.30 -22.30 -33.80 -24.70 -27.78 3.79 17 0 "[ . 1 . 2]" 31 . 2 18 SER C 2 19 ILE N 2 19 ILE CA 2 19 ILE C -82.00 -42.00 -85.85 -86.81 -86.82 5.24 6 4 "[ .+ 1 *. -* 2]" 32 . 2 19 ILE N 2 19 ILE CA 2 19 ILE C 2 20 ALA N -64.20 -24.20 -34.99 -49.52 -25.65 . . 0 "[ . 1 . 2]" 33 . 2 19 ILE C 2 20 ALA N 2 20 ALA CA 2 20 ALA C -84.90 -44.90 -80.52 -82.26 -74.75 . . 0 "[ . 1 . 2]" 34 . 2 20 ALA N 2 20 ALA CA 2 20 ALA C 2 21 ASP N -58.90 -18.90 -11.72 -17.47 -10.24 8.66 4 18 "[** +.************-**]" 35 . 2 20 ALA C 2 21 ASP N 2 21 ASP CA 2 21 ASP C -85.00 -45.00 -100.16 -99.03 -100.20 21.42 20 20 [**-****************+] 36 . 2 21 ASP N 2 21 ASP CA 2 21 ASP C 2 22 MET N -60.20 -20.20 -11.20 -25.68 0.94 21.14 6 16 "[** *.+ *******-* ***]" 37 . 2 21 ASP C 2 22 MET N 2 22 MET CA 2 22 MET C -85.80 -45.80 -92.39 -102.78 -75.75 16.98 20 15 "[ * .* ***-********+]" 38 . 2 22 MET N 2 22 MET CA 2 22 MET C 2 23 ASP N -65.20 -25.20 -28.97 -27.89 -28.51 3.72 3 0 "[ . 1 . 2]" 39 . 2 22 MET C 2 23 ASP N 2 23 ASP CA 2 23 ASP C -82.20 -42.20 -89.41 -95.55 -79.99 13.35 20 16 "[** *.* *-********* +]" 40 . 2 23 ASP N 2 23 ASP CA 2 23 ASP C 2 24 PHE N -60.80 -20.80 -22.50 -20.16 -21.03 1.55 16 0 "[ . 1 . 2]" 41 . 2 23 ASP C 2 24 PHE N 2 24 PHE CA 2 24 PHE C -84.80 -44.80 -73.81 -75.53 -76.50 0.72 7 0 "[ . 1 . 2]" 42 . 2 24 PHE N 2 24 PHE CA 2 24 PHE C 2 25 SER N -51.80 -11.80 -25.59 -26.49 -26.78 . . 0 "[ . 1 . 2]" 43 . 2 24 PHE C 2 25 SER N 2 25 SER CA 2 25 SER C -94.40 -54.40 -80.77 -82.13 -64.43 . . 0 "[ . 1 . 2]" 44 . 2 25 SER N 2 25 SER CA 2 25 SER C 2 26 ALA N -52.70 -12.70 -26.82 -40.00 -22.39 . . 0 "[ . 1 . 2]" 45 . 2 25 SER C 2 26 ALA N 2 26 ALA CA 2 26 ALA C -108.20 -59.20 -82.76 -84.24 -84.29 . . 0 "[ . 1 . 2]" 46 . 2 26 ALA N 2 26 ALA CA 2 26 ALA C 2 27 LEU N -58.90 -13.50 -24.63 -31.91 -21.63 . . 0 "[ . 1 . 2]" 47 . 2 26 ALA C 2 27 LEU N 2 27 LEU CA 2 27 LEU C -151.00 -111.00 -82.38 -85.49 -77.50 33.50 19 20 [******************+-] 48 . 2 27 LEU N 2 27 LEU CA 2 27 LEU C 2 28 LEU N 40.90 115.70 -17.89 -16.55 -17.90 66.84 19 20 [**-***************+*] 49 . 2 27 LEU C 2 28 LEU N 2 28 LEU CA 2 28 LEU C -85.10 -45.10 -81.87 -78.92 -80.51 2.81 13 0 "[ . 1 . 2]" 50 . 2 28 LEU N 2 28 LEU CA 2 28 LEU C 2 29 SER N 125.00 165.00 -31.02 -43.33 -18.22 158.26 7 20 [******+************-] 51 . 2 28 LEU C 2 29 SER N 2 29 SER CA 2 29 SER C -160.00 -48.00 -75.81 -76.96 -71.84 . . 0 "[ . 1 . 2]" 52 . 2 29 SER N 2 29 SER CA 2 29 SER C 2 30 GLN N 87.50 172.70 -16.43 -16.57 -16.95 108.34 18 20 [*******-*********+**] 53 . 2 30 GLN C 2 31 ILE N 2 31 ILE CA 2 31 ILE C -126.40 -40.40 -101.45 -105.08 -90.74 . . 0 "[ . 1 . 2]" 54 . 2 31 ILE N 2 31 ILE CA 2 31 ILE C 2 32 SER N 89.00 160.60 -26.77 -20.26 -25.23 121.95 1 20 [+*********-*********] 55 . 2 31 ILE C 2 32 SER N 2 32 SER CA 2 32 SER C -77.70 -37.70 -96.06 -96.17 -97.88 27.43 18 20 [*************-***+**] 56 . 2 32 SER N 2 32 SER CA 2 32 SER C 2 33 SER N -50.80 -10.80 -36.75 -41.85 -24.07 . . 0 "[ . 1 . 2]" 57 . 2 32 SER C 2 33 SER N 2 33 SER CA 2 33 SER C -85.70 -45.70 -107.98 -123.08 61.05 106.75 4 20 [***+**************-*] 58 . 2 2 SER C 2 3 PRO N 2 3 PRO CA 2 3 PRO C -90.60 -50.60 -71.91 -73.92 -74.17 . . 0 "[ . 1 . 2]" 59 . 2 3 PRO N 2 3 PRO CA 2 3 PRO C 2 4 GLY N 124.40 166.20 121.41 131.03 -19.14 153.84 5 7 "[* + *1- * .** 2]" 60 . 2 4 GLY C 2 5 TYR N 2 5 TYR CA 2 5 TYR C -79.60 -39.60 -109.31 -129.28 61.08 100.68 15 20 [**-***********+*****] 61 . 2 5 TYR N 2 5 TYR CA 2 5 TYR C 2 6 PRO N -59.40 -19.40 106.22 96.24 93.13 158.32 3 20 [**+*-***************] stop_ save_
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