Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 216.33 10 0.1027 2.77 172 105.8 0.66 7710.3667 53.60 2 247.07 10 0.1043 2.95 179 117.0 0.74 8513.2429 55.14 3 247.78 11 0.1081 3.08 216 134.1 0.67 8010.7875 47.84 4 248.26 12 0.1045 2.30 209 127.2 0.76 7812.4839 52.10 5 254.46 6 0.1076 2.93 251 137.8 0.77 7811.0377 46.58 6 256.95 11 0.1085 3.98 214 129.6 0.98 9012.2570 54.24 7 260.79 11 0.1091 2.64 176 115.1 0.83 8213.6056 64.73 8 262.50 7 0.1066 2.90 204 131.5 0.67 8814.0934 70.54 9 263.59 9 0.1131 3.62 196 129.4 0.81 8811.3967 52.22 10 268.23 13 0.1093 2.27 220 138.0 0.92 7612.1503 56.24 11 279.73 11 0.1096 2.92 248 146.5 0.70 9313.5350 56.77 12 280.61 9 0.1089 3.20 234 139.6 0.68 9614.8082 93.88 13 280.70 11 0.1111 2.14 232 142.1 0.91 8712.9469 58.99 14 284.44 12 0.1113 2.17 241 146.2 0.89 9212.8980 58.34 15 289.35 15 0.1142 2.82 246 146.4 0.74 8413.1788 62.57 16 294.83 13 0.1181 3.04 223 138.7 0.86 8512.6453 49.67 17 295.95 8 0.1104 2.93 250 155.8 0.81 9514.4963 58.90 18 304.80 20 0.1195 2.35 265 150.4 0.76 8212.6059 45.96 19 308.92 13 0.1154 2.31 260 154.3 0.84 8214.2136 75.35 20 310.42 16 0.1188 2.50 240 148.0 0.82 9313.7457 55.89 Ave 272.79 11 0.1106 2.79 224 136.7 0.79 8612.8248 58.48 +/- 23.84 3 0.0046 0.47 27 12.9 0.09 6 1.2031 10.90 Min 216.33 6 0.1027 2.14 172 105.8 0.66 7610.3667 45.96 Max 310.42 20 0.1195 3.98 265 155.8 0.98 9614.8082 93.88 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD2 LEU 8 - QG2 ILE 63 3.86 10 1.39 2.61 ++ + ++ +*+ + + peak 654 QD1 LEU 15 - QG2 ILE 63 QD1 LEU 17 - QG2 ILE 63 QG2 ILE 63 - QG2 VAL 113 QG2 ILE 63 - HG13 ILE 119 QG2 ILE 63 - QD1 ILE 150 H LEU 59 - HD1 TRP 130 H VAL 98 - HD1 TRP 130 Upper HB3 GLN 16 - HA VAL 31 3.86 12 1.38 1.88 ++ + +*++ ++ + + + peak 2148 HA VAL 31 - HB ILE 32 HA VAL 31 - HB VAL 90 HA VAL 31 - HG3 PRO 157 Upper HD21 ASN 19 - HB2 GLU 70 3.49 9 1.10 2.07 + + + * +++ + + peak 1394 HD21 ASN 19 - HB VAL 71 HD21 ASN 19 - HB3 MET 111 HA VAL 43 - H ALA 45 Upper HG2 ARG 38 - H ASP 125 3.81 9 1.35 3.62 + +++* + + ++ peak 1563 HB2 LEU 47 - H ASP 125 HB3 LEU 87 - H ASP 125 H ASP 125 - HG2 LYS 141 HB3 PHE 50 - HB3 CYS 62 HB3 PHE 50 - HG2 GLN 160 HB3 PHE 50 - HG3 GLN 160 Upper QB ALA 45 - HB2 LEU 59 3.49 10 1.36 3.20 + ++ ++ +* + + + peak 700 HB2 LEU 59 - HB2 ARG 97 HB2 LEU 59 - HG2 ARG 104 HB2 LEU 59 - HB2 LYS 114 HB2 LEU 59 - HG LEU 138 QD1 LEU 87 - HB VAL 100 Upper HA THR 46 - H THR 99 3.18 17 2.25 3.98 ++++ *++ +++++++++ + peak 302 H THR 99 - HA2 GLY 101 H THR 99 - HA VAL 113 HD3 PRO 48 - HA ASP 123 HD3 PRO 48 - HA ASP 125 Upper HB3 LEU 47 - HD3 ARG 97 3.52 10 1.43 2.64 + +* ++ +++ + + peak 467 QD1 LEU 59 - HD3 ARG 97 HB3 LYS 68 - H GLU 85 HG LEU 76 - H GLU 85 H GLU 85 - HB2 GLU 105 H GLU 85 - HB3 ARG 137 Upper HD2 PRO 48 - HB3 LEU 138 3.61 8 1.19 2.53 ++ +++ + +* peak 1469 HB THR 99 - HB3 LEU 138 HB3 LEU 138 - HA LYS 140 QG1 VAL 34 - HB2 ARG 38 QG1 VAL 34 - HG LEU 76 QG1 VAL 34 - HB2 LEU 84 Upper QD PHE 50 - HB2 ASN 86 4.24 9 1.23 1.98 + + ++ * + ++ + peak 1870 HB2 ASN 86 - HD21 ASN 162 HG LEU 36 - HB2 ASN 86 HB2 ARG 38 - HB2 ASN 86 HD3 LYS 68 - HB2 ASN 86 HB2 LEU 84 - HB2 ASN 86 VdW CA LEU 15 - CD1 LEU 15 3.00 8 0.12 0.27 + +++ ++ * + VdW HA LEU 15 - CD1 LEU 15 2.60 10 0.17 0.38 ++ +++ ++ + * + VdW CB LEU 15 - H GLN 16 2.55 8 0.12 0.39 + +++ *+ + + VdW CB LEU 17 - H HIS 18 2.55 6 0.14 0.40 + + +* + + VdW O HIS 18 - HA MET 77 2.30 6 0.14 0.43 + + + +* + VdW N ASN 19 - ND2 ASN 19 2.90 12 0.23 0.54 + ++ + + ++ +++ + * VdW O VAL 20 - N LEU 76 2.75 10 0.20 0.61 + + * +++++ + + VdW O VAL 20 - H LEU 76 1.80 8 0.16 0.44 + + * +++ + + VdW HA PHE 21 - O LYS 74 2.30 6 0.15 0.81 + + * + + + VdW CB PHE 26 - H GLN 27 2.55 6 0.10 0.38 + +++ + * VdW HA ASP 28 - CD PRO 29 2.60 9 0.14 0.31 + + + + +* + + + VdW O VAL 31 - C ILE 32 2.80 7 0.13 0.37 + + + + + * + VdW CG2 ILE 32 - CD1 ILE 32 3.00 10 0.18 0.33 + *+ + + +++ ++ VdW CG2 ILE 32 - C ILE 32 2.90 8 0.16 0.33 + * + + + + + + VdW CG1 VAL 34 - C VAL 34 2.90 7 0.12 0.33 + ++ + + + * VdW O LEU 36 - CB ASP 37 2.90 11 0.23 0.59 + ++ ++++ + +* + VdW CB ARG 38 - H THR 39 2.55 6 0.10 0.39 + + + + +* VdW HA THR 39 - CD PRO 40 2.60 12 0.20 0.30 + +++ +++ ++ * ++ VdW CG2 ILE 42 - CD1 ILE 42 3.00 7 0.12 0.33 + + + *+++ VdW CG1 ILE 42 - C ILE 42 2.90 10 0.16 0.33 + + + ++ +*+ + + VdW HA ALA 45 - HA ARG 104 2.00 7 0.14 0.42 + * + ++++ VdW O THR 46 - HD3 PRO 48 2.30 8 0.17 0.53 ++ ++*+ + + VdW O THR 46 - O VAL 103 2.60 9 0.18 0.55 ++ + + ++ * ++ VdW HA LEU 47 - CD PRO 48 2.60 10 0.17 0.30 + ++ + * ++ +++ VdW CG LEU 47 - O LEU 47 2.90 6 0.15 0.50 + + + +*+ VdW CD1 LEU 47 - C LEU 47 3.10 9 0.20 0.57 + ++ +*+++ + VdW CD2 LEU 47 - O LEU 47 2.90 6 0.15 0.83 ++* + + + VdW O GLY 49 - HA PRO 65 2.30 10 0.24 0.60 + * + ++ + + + ++ VdW O GLY 49 - N SER 66 2.75 7 0.17 0.72 ++ + + ++* VdW CA PHE 50 - O VAL 64 2.90 11 0.22 0.50 + *++ ++++ +++ VdW HA PHE 50 - O VAL 64 2.30 14 0.41 0.98 ++ +*+++ ++++ +++ VdW CD2 PHE 50 - C PHE 50 3.10 7 0.17 0.66 + + + + ++ * VdW HB2 GLN 51 - HB2 SER 66 2.00 6 0.10 0.43 * +++ + + VdW CB TYR 60 - CD PRO 61 3.20 15 0.34 0.69 +*+ +++++++++ +++ VdW CB TYR 60 - HD2 PRO 61 2.60 7 0.13 0.54 ++ + + + +* VdW CB TYR 60 - HD3 PRO 61 2.60 7 0.15 0.46 +*+ + + + + VdW CA ILE 63 - CD1 ILE 63 3.00 10 0.15 0.32 +++ + ++ + *+ + VdW HA ILE 63 - CD1 ILE 63 2.60 9 0.20 0.60 + + + ++ + *+ + VdW CG2 ILE 63 - C ILE 63 2.90 17 0.24 0.33 +++ + +*++++++++++ + VdW HB VAL 64 - HD2 PRO 65 2.00 7 0.15 0.57 +* + + + + + VdW CG1 VAL 64 - C VAL 64 2.90 9 0.15 0.33 + +* ++ +++ + VdW CG2 VAL 64 - C VAL 64 2.90 6 0.10 0.32 ++ + + *+ VdW N HIS 72 - CD2 HIS 72 3.05 8 0.13 0.33 ++ + * + + ++ VdW CG1 VAL 75 - C VAL 75 2.90 8 0.12 0.31 ++ ++*+ ++ VdW CG1 VAL 79 - C VAL 79 2.90 9 0.17 0.32 +++ * +++ + + VdW O SER 81 - HB2 GLU 85 2.30 6 0.12 0.28 + + ++ + * VdW CG1 VAL 90 - C VAL 90 2.90 10 0.17 0.31 *+++ + +++ + + VdW C VAL 98 - HA LYS 114 2.50 7 0.18 0.67 + + * + ++ + VdW HA THR 99 - C VAL 113 2.50 7 0.15 0.51 ++ + + + + * VdW HA THR 99 - O VAL 113 2.30 10 0.23 0.63 ++ * + + ++++ + VdW CG2 THR 99 - C THR 99 2.90 13 0.21 0.32 ++++ ++ +*+ + +++ VdW N VAL 100 - O VAL 113 2.75 8 0.18 0.55 + + ++ ++ + * VdW N ILE 102 - CG2 ILE 102 2.85 9 0.16 0.25 *++++ + + + + VdW CG1 ILE 102 - C ILE 102 2.90 14 0.23 0.33 *++++++ + + ++ +++ VdW HG12 ILE 102 - N VAL 103 2.45 6 0.12 0.34 +++* + + VdW CD1 ILE 102 - C ILE 102 3.10 10 0.22 0.56 +++ ++ ++ +* + VdW CD1 ILE 102 - O ILE 102 2.90 9 0.14 0.39 + +++ + * +++ VdW O ASP 106 - CB ASN 107 2.90 7 0.17 0.48 + ++ + + * + VdW C ASN 107 - H GLU 109 2.45 7 0.16 0.70 *+ + ++ + + VdW O SER 108 - HB2 GLU 109 2.30 9 0.14 0.42 + *+ + + + ++ + VdW CG2 VAL 113 - C VAL 113 2.90 9 0.14 0.32 +++ *+ ++ ++ VdW O ASN 120 - CB LYS 121 2.90 7 0.12 0.32 + + + * + ++ VdW C ARG 137 - H HIS 139 2.45 8 0.17 0.57 * + + + ++++ VdW C LEU 138 - N LYS 140 2.95 6 0.10 0.38 + * + +++ VdW C LEU 138 - H LYS 140 2.45 8 0.19 0.68 + + + + +*++ VdW C HIS 139 - H LYS 141 2.45 6 0.10 0.38 + + * + ++ VdW C LYS 140 - N LYS 142 2.95 8 0.14 0.34 + + * + + ++ + VdW C LYS 140 - H LYS 142 2.45 9 0.16 0.54 + + + + + * +++ VdW O LYS 140 - N LYS 142 2.75 9 0.15 0.42 + + *+ + + ++ + VdW H LYS 141 - CG LYS 141 2.55 6 0.10 0.41 + * ++ ++ VdW O LYS 141 - C LYS 142 2.80 7 0.13 0.42 + + ++ * + + VdW O LYS 141 - N GLU 145 2.75 9 0.20 0.67 * + ++ + + ++ + VdW C PHE 143 - H GLU 145 2.45 6 0.11 0.30 + +* + + + VdW C ILE 144 - N THR 146 2.95 13 0.21 0.40 + + ++ ++ ++ + ++*+ VdW C ILE 144 - H THR 146 2.45 8 0.18 0.50 + + ++ + + *+ VdW O ILE 144 - C GLU 145 2.80 9 0.18 0.40 ++ ++ + * + ++ VdW O ILE 144 - N THR 146 2.75 12 0.27 0.72 + + ++ ++ + * ++++ VdW O ILE 144 - N PHE 147 2.75 7 0.12 0.36 * + + + + + + VdW O GLU 145 - N LYS 149 2.75 6 0.12 0.43 + * + + + + VdW CG2 ILE 150 - C ILE 150 2.90 20 0.31 0.33 ++++++++++++*+++++++ Angle PSI HIS 18 139.00 159.00 15 10.41 29.08 ++ +++ ++++ +++++* Angle PHI VAL 20 -132.00 -112.00 11 8.47 26.81 ++* + +++++++ Angle PSI VAL 20 124.00 144.00 17 18.88 43.01 ++ +++++++++++ +++* Angle PHI PHE 21 -129.00 -95.00 13 11.52 70.54 + ++* ++ +++++ ++ Angle PSI PHE 21 124.00 148.00 7 4.94 19.01 ++ +*+++ Angle PSI VAL 22 135.00 169.00 11 10.66 33.93 ++ ++ ++++ * ++ Angle PHI SER 25 -81.00 -59.00 7 3.50 13.04 + +*+ + ++ Angle PSI SER 25 -36.00 -8.00 7 3.91 13.35 + + + + * ++ Angle PHI ASP 30 -76.00 -56.00 12 8.97 22.19 ++++++ + +* + + + Angle PSI ASP 30 -48.00 -28.00 7 8.10 58.25 + + + +* ++ Angle PHI VAL 31 -76.00 -56.00 15 10.75 43.16 ++++++ ++++ + ++* + Angle PSI VAL 31 -53.00 -31.00 14 13.17 31.47 +++ + ++ *+++++ + + Angle PHI ILE 32 -73.00 -53.00 14 10.80 30.70 +++++ +++++ +*+ + Angle PHI ASN 33 -74.00 -54.00 6 4.88 24.42 ++ + * + + Angle PSI ASN 33 -52.00 -32.00 6 4.54 23.36 + +++ * + Angle PHI VAL 34 -81.00 -61.00 12 7.70 24.64 +++ ++* + +++ ++ Angle PSI VAL 34 -51.00 -31.00 10 5.67 15.65 + + ++ +++ ++ * Angle PHI MET 35 -78.00 -58.00 9 4.45 20.20 + ++ + *+ +++ Angle PSI MET 35 -35.00 -15.00 7 7.40 32.17 + + *++ ++ Angle PHI LEU 36 -115.00 -83.00 12 7.36 27.76 ++ +++++ + ++ + * Angle PSI LEU 36 -34.00 10.00 14 8.53 20.10 + ++ ++++ ++*++++ Angle PHI THR 39 -125.00 -97.00 7 3.30 12.69 *+ + + + ++ Angle PSI THR 39 120.00 150.00 14 13.35 44.59 ++++ +++++ + ++* + Angle PSI PRO 40 116.00 150.00 15 9.57 26.22 ++ +++++++* + ++ + + Angle PSI GLU 41 100.00 140.00 11 7.14 23.20 +++ + *+ +++ ++ Angle PHI ILE 42 -128.00 -98.00 14 9.56 21.16 +++ ++*+ +++++++ Angle PSI ILE 42 123.00 143.00 9 10.59 35.57 +++ +++ + +* Angle PHI VAL 43 -130.00 -110.00 7 5.76 27.21 + + + + *++ Angle PSI VAL 43 120.00 146.00 15 13.60 28.55 ++++++++ ++*+ +++ Angle PHI SER 44 -115.00 -77.00 16 19.20 34.36 +++++++++++*++ + + Angle PSI SER 44 123.00 143.00 13 16.62 41.29 + + ++ ++++++++ * Angle PHI ALA 45 -145.00 -125.00 6 6.55 39.39 +++ + +* Angle PSI ALA 45 131.00 157.00 9 6.36 30.63 + +++ + + ++* Angle PHI THR 46 -134.00 -92.00 9 6.49 20.28 + + + + *+ + ++ Angle PSI THR 46 118.00 138.00 16 14.42 42.32 ++ ++*+ ++++++++++ Angle PSI LEU 47 94.00 144.00 9 7.87 37.13 ++ +* + + +++ Angle PSI PRO 48 133.00 151.00 20 27.02 43.97 +++++++++++*++++++++ Angle PSI PHE 50 145.00 175.00 8 5.48 28.50 + + + ++ +*+ Angle PHI GLN 51 -165.00 -141.00 11 6.68 21.00 + + + ++*++ ++ + Angle PHI ARG 52 -138.00 -98.00 19 14.11 30.65 +++++++++ *+++++++++ Angle PSI ARG 52 114.00 144.00 12 7.37 22.46 + + +++++ *+ + ++ Angle PHI CYS 62 -151.00 -119.00 8 6.28 29.61 + + + +*+++ Angle PSI CYS 62 148.00 170.00 16 13.46 28.64 +++++++++ +*+ +++ + Angle PHI ILE 63 -151.00 -129.00 13 11.54 40.87 + +++ + +++ +*+++ Angle PSI ILE 63 146.00 170.00 12 9.24 34.35 ++ +++ +++ ++*+ Angle PHI VAL 64 -148.00 -124.00 6 3.51 13.60 + + *+ + + Angle PSI GLU 67 -36.00 -14.00 7 5.59 27.71 * + ++ ++ + Angle PHI LYS 68 -104.00 -84.00 9 4.83 18.74 +* + +++++ + Angle PSI LYS 68 -4.00 20.00 13 7.42 19.63 ++++++ + + ++ *+ + Angle PHI VAL 71 -144.00 -114.00 7 4.86 26.69 + ++*+ + + Angle PSI VAL 71 120.00 142.00 11 8.89 30.98 ++ + * + ++ +++ + Angle PHI HIS 72 -126.00 -76.00 9 6.55 23.95 ++++++ * ++ Angle PSI HIS 72 117.00 165.00 6 4.00 14.81 + + + +* + Angle PHI LYS 74 -145.00 -123.00 8 5.58 25.57 + +++ + + +* Angle PSI LYS 74 142.00 168.00 18 15.73 37.09 +++++++++++ +++ *+++ Angle PHI VAL 75 -136.00 -112.00 12 8.49 26.98 + ++ + ++ ++ +*++ Angle PSI VAL 75 117.00 149.00 11 8.28 39.00 + + ++++ + +* ++ Angle PHI LEU 76 -116.00 -96.00 9 9.46 34.43 + + + ++ +* + + Angle PSI MET 77 120.00 178.00 10 7.46 31.11 ++ + +++ + ++ * Angle PHI THR 80 -117.00 -71.00 9 7.95 24.40 + * ++ ++ + ++ Angle PSI THR 80 159.00 179.00 11 7.06 21.40 +* + + + ++++++ Angle PHI SER 81 -70.00 -50.00 7 3.05 8.90 + + * ++ ++ Angle PSI SER 81 -48.00 -28.00 10 8.02 39.05 + + + + * + + +++ Angle PHI ASP 82 -77.00 -57.00 14 11.22 27.27 ++ +*+++++ +++ + + Angle PSI ASP 82 -52.00 -32.00 9 8.58 39.88 * + ++++++ + Angle PHI GLU 83 -78.00 -58.00 14 11.60 58.99 +++++ ++++ *++++ Angle PSI GLU 83 -49.00 -29.00 11 11.43 39.42 +++++ ++ + +* + Angle PSI LEU 84 -51.00 -31.00 13 12.76 41.71 +++ +++ + +* ++++ Angle PHI GLU 85 -74.00 -54.00 7 5.86 45.94 * + + ++ + + Angle PSI GLU 85 -50.00 -30.00 13 6.71 22.55 +*+++++++ + + + + Angle PHI ASN 86 -75.00 -55.00 9 8.00 55.14 *++ + +++ + + Angle PSI ASN 86 -49.00 -29.00 10 5.83 17.65 ++ +++ +++ * + Angle PHI LEU 87 -71.00 -51.00 9 7.20 27.83 + +* +++ ++ + Angle PHI ASP 88 -73.00 -53.00 10 8.83 24.16 + ++ + *+ ++++ Angle PHI ALA 89 -77.00 -57.00 7 3.57 11.24 + + *++ + + Angle PSI ALA 89 -47.00 -27.00 7 4.04 17.66 + + +++ *+ Angle PSI VAL 90 -57.00 -37.00 8 6.33 28.54 + + + ++ *+ + Angle PHI GLU 91 -77.00 -57.00 9 8.06 25.32 + + ++++++ * Angle PSI GLU 91 -44.00 -22.00 8 6.23 22.21 + + * + +++ + Angle PHI TYR 95 -144.00 -114.00 10 6.12 24.24 + *++ ++ ++ ++ Angle PSI TYR 95 142.00 162.00 13 13.12 46.58 *++ + ++++++++ + Angle PHI GLU 96 -157.00 -125.00 15 15.89 45.64 ++ ++++ + +++ ++ ++* Angle PSI GLU 96 129.00 163.00 8 4.50 14.38 * + ++ + + + + Angle PHI ARG 97 -112.00 -88.00 10 7.17 24.60 + ++++ ++ *+ + Angle PSI ARG 97 115.00 135.00 6 4.22 15.53 + + * + + + Angle PHI VAL 98 -133.00 -111.00 10 7.79 36.53 +*++ ++ + + + + Angle PSI VAL 98 130.00 160.00 9 10.61 39.32 + ++* ++ + + + Angle PHI THR 99 -111.00 -87.00 18 21.29 44.74 ++ ++ +*++++++++++++ Angle PSI THR 99 123.00 143.00 8 10.05 34.22 +++ *+ + ++ Angle PHI VAL 100 -145.00 -125.00 11 8.88 43.76 ++++ +++* + ++ Angle PSI VAL 100 151.00 171.00 8 5.70 23.79 ++ * ++++ + Angle PHI ILE 102 -142.00 -112.00 9 5.63 19.42 + *+ +++ +++ Angle PHI VAL 103 -130.00 -84.00 11 7.08 25.26 ++ *+ +++ ++++ Angle PSI VAL 103 108.00 152.00 12 7.94 23.13 +++ ++ ++++*++ Angle PSI GLU 105 -55.00 -35.00 17 10.23 19.82 ++++ +++++++*+++ ++ Angle PSI ASP 106 -48.00 -12.00 11 8.04 29.51 + + + + ++ ++++ * Angle PHI LYS 110 -109.00 -67.00 11 10.13 22.55 +++* + +++ ++ + Angle PSI LYS 110 125.00 147.00 6 5.19 35.66 * + ++++ Angle PSI MET 111 134.00 160.00 11 7.93 27.57 + +++ +++++ + * Angle PHI ALA 112 -119.00 -87.00 10 10.92 42.72 ++ + + +++ + * + Angle PSI ALA 112 118.00 144.00 16 14.33 33.41 ++++ +++ +++++*+++ Angle PHI VAL 113 -146.00 -126.00 8 8.32 37.79 + ++ + ++ + * Angle PSI VAL 113 147.00 173.00 9 8.04 46.90 +* + +++ + ++ Angle PHI LYS 114 -141.00 -95.00 15 16.28 41.91 ++ + +++++++ *+ +++ Angle PSI LYS 114 134.00 164.00 9 9.40 52.80 + + *++ + + ++ Angle PHI THR 115 -156.00 -112.00 6 5.85 30.20 ++ +*++ Angle PHI TYR 116 -125.00 -97.00 18 19.64 43.09 ++++++++++ + *++++++ Angle PSI TYR 116 109.00 139.00 6 3.83 22.78 + + + + * + Angle PHI MET 117 -141.00 -103.00 8 6.47 27.68 + + +++ + +* Angle PSI MET 117 113.00 151.00 9 8.49 55.89 + + + +++++* Angle PHI TRP 118 -103.00 -65.00 14 10.41 38.29 + +++ +++++++ + +* Angle PSI TRP 118 113.00 153.00 8 6.85 25.61 + ++ ++ *+ + Angle PHI ILE 119 -78.00 -50.00 18 19.82 58.90 +++++++++++ + ++*+++ Angle PSI ILE 119 -43.00 -21.00 8 7.91 36.13 + ++ +++ * + Angle PHI ASN 120 -107.00 -79.00 10 7.12 32.33 + + ++++++ * + Angle PSI ASN 120 -9.00 11.00 10 5.79 30.42 +++ ++ ++ ++ * Angle PSI PHE 132 -54.00 -34.00 6 3.54 13.13 + + ++ * + Angle PHI GLU 133 -73.00 -53.00 6 2.73 9.80 ++ + + +* Angle PSI GLU 134 -50.00 -30.00 17 13.39 31.43 ++++++ ++ +++++ ++*+ Angle PHI TRP 135 -74.00 -54.00 10 5.72 14.53 + +* ++++ +++ Angle PSI TRP 135 -52.00 -32.00 8 9.91 93.88 + ++ * ++ ++ Angle PHI LYS 136 -72.00 -52.00 7 4.18 23.77 + + +* + + + Angle PSI LYS 136 -49.00 -29.00 12 16.15 51.64 + *+++ + +++ ++ + Angle PHI ARG 137 -74.00 -54.00 12 14.54 63.09 ++ +++++ + *++ + Angle PSI ARG 137 -51.00 -31.00 9 8.95 34.41 +++++ ++ + * Angle PHI LEU 138 -91.00 -71.00 9 9.67 48.66 +*+++ + ++ + Angle PSI LEU 138 -45.00 -15.00 14 22.72 54.24 ++++ *++++++ +++ Angle PHI HIS 139 -115.00 -77.00 15 22.04 64.73 + ++ +*++++++++++ Angle PSI HIS 139 -37.00 5.00 10 10.81 48.48 ++ + ++ * ++ ++ Angle PHI LYS 140 -70.00 -50.00 9 6.53 31.41 ++ + ++ ++ + * Angle PSI LYS 140 -53.00 -33.00 15 19.02 42.68 + + ++ *++++++++++ Angle PHI LYS 141 -75.00 -55.00 11 12.69 54.04 ++ ++ *++++ + + Angle PSI LYS 141 -50.00 -30.00 13 16.05 61.82 +++ + + + ++*+ +++ Angle PHI LYS 142 -75.00 -55.00 15 16.82 62.57 ++ +++++ ++ +*+++ + Angle PSI LYS 142 -49.00 -29.00 7 6.16 28.67 + * + ++ + + Angle PHI PHE 143 -76.00 -56.00 13 11.56 36.16 ++++++ + +++ +*+ Angle PSI PHE 143 -53.00 -33.00 8 10.03 38.27 ++ ++ + ++* Angle PHI ILE 144 -73.00 -53.00 14 13.46 52.10 +++* +++ + + +++++ Angle PSI ILE 144 -54.00 -34.00 16 30.75 58.34 + + ++ ++++++* +++++ Angle PHI GLU 145 -72.00 -52.00 16 12.86 31.50 + ++++ +++ ++* +++++ Angle PSI GLU 145 -51.00 -31.00 8 6.16 15.46 + ++ + *+ ++ Angle PHI THR 146 -81.00 -61.00 16 10.28 19.55 ++++++++ ++*+ ++++ Angle PHI PHE 147 -76.00 -56.00 15 9.79 29.91 ++ ++ ++ ++ +++++*+ Angle PSI PHE 147 -51.00 -31.00 10 5.94 23.14 ++ + *+++ + + + Angle PHI LYS 148 -74.00 -54.00 8 5.25 15.71 ++ + + + + + * Angle PHI LYS 149 -74.00 -54.00 15 8.45 22.86 ++++ ++++++ +*+ + + 9 violated distance constraints. 146 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 7.83 +/- 1.97 A (5.57..15.06 A) Average heavy atom RMSD to mean : 8.35 +/- 1.99 A (6.04..15.68 A)