Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 219.06 39 0.2241 2.21 189 113.8 0.72 9414.7313 58.47 2 232.12 41 0.2281 2.49 202 120.2 0.78 10215.2809 57.69 3 233.57 47 0.2292 2.83 151 100.5 0.63 10016.7277 57.63 4 233.87 44 0.2318 2.51 158 103.5 0.76 9515.6063 60.05 5 234.99 41 0.2262 2.62 177 110.5 0.61 10916.4387 66.39 6 236.66 29 0.2161 2.81 179 114.4 0.72 10117.3352 74.86 7 237.14 47 0.2341 2.06 195 122.5 0.64 9315.1189 54.41 8 238.35 32 0.2193 2.15 200 118.8 0.69 8616.8491 82.42 9 242.63 45 0.2380 3.41 196 124.7 0.63 9315.3681 68.39 10 243.02 40 0.2321 3.11 168 114.3 0.62 9916.6037 65.61 11 244.18 31 0.2208 2.16 208 124.7 0.93 9416.8806 65.33 12 244.97 37 0.2193 2.46 219 127.9 0.61 10017.4868 81.75 13 245.79 48 0.2338 2.10 183 119.6 0.74 10316.3274 97.54 14 248.59 40 0.2218 2.08 195 123.8 0.85 9517.6382 82.09 15 249.20 36 0.2193 2.07 209 131.2 0.74 11017.0027 82.74 16 250.50 45 0.2353 2.29 197 125.7 0.67 9316.3508 69.05 17 252.07 33 0.2065 1.61 217 127.7 0.69 9119.0797 90.05 18 255.35 43 0.2254 2.21 199 125.3 0.69 11117.8922 99.22 19 257.90 44 0.2356 1.94 231 139.6 0.81 9015.6554 60.22 20 258.73 47 0.2290 2.17 196 118.8 0.67 9817.7747 78.91 Ave 242.93 40 0.2263 2.36 193 120.4 0.71 9816.6074 72.64 +/- 9.66 6 0.0078 0.41 19 8.9 0.08 7 1.0702 13.25 Min 219.06 29 0.2065 1.61 151 100.5 0.61 8614.7313 54.41 Max 258.73 48 0.2380 3.41 231 139.6 0.93 11119.0797 99.22 Cut 0.90 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 LEU 17 - HB3 HIS 18 5.10 8 0.69 1.07 ++ + +++ * + peak 105 Upper QD2 LEU 17 - HD2 HIS 18 4.30 6 0.55 1.76 + + * + ++ peak 498 Upper H HIS 18 - HD2 HIS 18 3.91 8 0.62 1.68 ++ * + + + + + peak 854 Upper H HIS 18 - H THR 46 3.83 12 1.19 2.62 +++ * +++++ + ++ peak 366 HB2 LYS 74 - HH2 TRP 135 Upper HA HIS 18 - H VAL 20 3.73 13 1.13 1.79 +++ ++++ +++*++ peak 1172 H VAL 20 - HA VAL 100 H TRP 135 - HG3 GLU 145 Upper HA HIS 18 - H VAL 20 4.39 6 0.51 1.40 + + + +* + peak 1909 H VAL 20 - HA VAL 100 HA VAL 20 - HG2 ARG 97 Upper HD2 HIS 18 - H VAL 79 3.30 9 0.88 1.68 + + + * +++ ++ peak 572 HD2 HIS 18 - H SER 81 HG LEU 17 - H ILE 102 Upper H ASN 19 - HA ARG 97 4.54 15 1.05 1.77 +++*++++ + ++++ + + peak 217 H ASN 19 - HA VAL 113 H ASN 19 - HB3 MET 117 Upper H VAL 20 - H VAL 113 3.75 7 0.72 2.11 +++ + * + + peak 519 HB3 LEU 76 - HA VAL 100 Upper HA VAL 20 - H THR 115 4.28 6 0.52 1.29 + ++ + * + peak 553 H THR 115 - HA TYR 116 Upper HB2 ASP 30 - HB VAL 31 3.62 9 0.74 1.82 +++*+ + +++ peak 44 Upper HB2 ASP 30 - H ILE 32 3.27 11 0.89 1.70 +++++ *+ + +++ peak 112 HB3 LYS 142 - QD PHE 147 Upper HB2 ASP 30 - H ILE 32 3.24 6 0.53 1.35 * + + + ++ peak 456 QD2 LEU 76 - HE3 TRP 118 Upper HB3 ASP 30 - HH2 TRP 135 3.45 8 0.69 1.59 * + + + ++ ++ peak 1829 HE2 LYS 74 - HH2 TRP 135 H TRP 135 - HA ILE 150 Upper H VAL 31 - HA ILE 32 3.93 11 1.12 1.59 ++*++ ++ + +++ peak 1436 Upper HB VAL 31 - HB3 LEU 138 3.77 6 0.69 2.20 ++ + +* + peak 1756 HA3 GLY 49 - QG2 VAL 64 Upper QG1 VAL 31 - HA ILE 32 4.08 7 0.42 1.34 +++*+ + + peak 1425 QG1 VAL 31 - HA GLU 133 QG1 VAL 31 - HA ILE 150 Upper QG1 VAL 31 - H LEU 138 3.55 6 0.73 1.48 *+ ++ + + peak 1421 H LYS 121 - H ASP 123 Upper QG1 VAL 31 - H ILE 150 3.07 15 1.01 2.16 +++++ + ++* +++++ + peak 1299 H GLU 133 - HA ILE 150 Upper HA ILE 32 - H ASP 123 3.56 11 0.86 1.59 + + *+ ++ ++ + ++ peak 356 H TRP 135 - HA ILE 150 H PHE 50 - H GLY 78 Upper HA ILE 32 - H ASP 123 3.36 8 0.72 1.63 +++ ++ *+ + peak 1835 H TRP 135 - HA ILE 150 QG1 VAL 31 - HA ILE 150 Upper HB ILE 32 - QG1 VAL 34 3.58 9 0.65 1.20 + ++* ++ +++ peak 878 H GLU 96 - HB VAL 113 Upper HB ILE 32 - QG1 VAL 34 3.13 12 0.90 1.55 ++*++ +++++ ++ peak 2131 QG1 VAL 31 - HG12 ILE 150 Upper HB2 LEU 47 - HA PHE 50 3.57 13 1.08 2.64 + ++*+ + +++ ++++ peak 367 H PHE 50 - HA GLU 85 Upper HB2 LEU 47 - QG2 VAL 71 4.34 11 1.05 1.95 + ++ + +++ *++ + peak 490 HB2 LEU 47 - QG1 VAL 90 HB3 HIS 18 - H SER 81 Upper HB3 LEU 47 - HA PHE 50 3.37 13 1.08 2.26 ++++ ++ + ++ + * ++ peak 137 QD PHE 21 - QD2 LEU 76 Upper HB3 LEU 47 - HH2 TRP 118 3.76 6 0.85 3.11 ++ * + + + peak 294 HA LYS 142 - H LYS 148 Upper HA3 GLY 49 - QE PHE 50 4.11 12 1.00 2.17 ++ ++ +++ + + ++* peak 251 Upper HB2 PHE 50 - HA TYR 116 4.68 10 1.01 2.81 + ++* + ++++ + peak 694 HB3 PHE 50 - HA TYR 116 QD PHE 21 - HA ASP 88 Upper QE PHE 50 - H GLN 51 4.46 17 1.21 1.87 ++ +++*+++++++++++ peak 1168 Upper QG2 VAL 64 - QD1 LEU 87 3.77 6 0.77 2.49 +* ++ + + peak 112 HB3 LYS 142 - QD PHE 147 Upper H GLU 67 - HA LYS 68 3.54 20 1.19 1.46 ++*+++++++++++++++++ peak 16 Upper H GLY 78 - HG3 GLU 85 3.69 10 0.96 2.29 + + + ++ + ++* + peak 359 H PHE 50 - H SER 66 Upper H THR 80 - H GLU 83 3.81 6 0.53 1.62 + ++ + + * peak 1236 H PHE 143 - QD PHE 147 Upper H THR 80 - H LEU 84 4.00 8 0.70 1.93 + ++ * ++ + + peak 480 HA ARG 137 - H CYS 153 Upper HB2 LEU 87 - HA THR 115 4.57 6 0.54 2.15 + *+ ++ + peak 2281 HB2 LEU 47 - QG2 ILE 63 Upper HB3 ASN 107 - H GLU 109 3.46 6 0.75 1.47 +++ + + * peak 1823 QG2 VAL 31 - HA ILE 150 Upper HB3 ASN 107 - H GLU 109 3.68 7 0.64 1.18 * + ++ + + + peak 920 QD PHE 50 - H VAL 64 Upper H ILE 119 - HA ASN 120 3.82 17 1.09 1.34 +++ ++ +++*+++++++ + peak 767 Upper HB2 PHE 132 - H LYS 149 4.09 10 0.88 1.54 + +++ + ++++* peak 1182 H GLY 49 - HB3 GLN 51 Upper H GLU 133 - HG3 GLU 145 3.15 8 0.64 1.72 ++ *++ + + + peak 1531 QD2 LEU 47 - H GLY 78 Upper H GLU 133 - H LYS 149 3.58 6 0.71 1.16 + * + ++ + peak 359 H PHE 50 - H SER 66 Upper H GLU 134 - HG3 GLU 145 3.69 7 0.60 1.43 + + ++ + * + peak 1134 H ALA 89 - HA THR 115 Upper H ARG 137 - HD2 LYS 141 3.61 9 0.59 1.16 ++ + ++ * ++ + peak 2281 HB2 LEU 47 - QG2 ILE 63 Upper HD2 LYS 141 - HG3 GLU 145 3.82 11 1.11 2.17 +*+ + + + ++ + ++ peak 2156 HA VAL 34 - H ASP 123 Upper H ILE 144 - HG3 GLU 145 4.82 11 0.87 1.66 ++++ + +++++ * peak 1170 Upper H PHE 147 - H LYS 149 3.57 6 0.60 1.20 * + + ++ + peak 367 H PHE 50 - HA GLU 85 VdW CG1 VAL 20 - C VAL 20 2.90 6 0.12 0.33 + + + + * + VdW H ASP 30 - CG ASP 30 2.45 7 0.08 0.28 +++*+ + + VdW CB ASP 30 - H VAL 31 2.55 9 0.11 0.32 + ++++ +++* VdW HB3 ASP 30 - N VAL 31 2.45 7 0.09 0.30 + +* + +++ VdW HB3 ASP 30 - H VAL 31 1.95 7 0.10 0.37 + +* + +++ VdW C ASP 30 - N ILE 32 2.95 11 0.16 0.42 +++++ ++ + +*+ VdW C ASP 30 - H ILE 32 2.45 10 0.17 0.52 +++++ + + +*+ VdW O ASP 30 - C VAL 31 2.80 6 0.10 0.27 + + + +*+ VdW O ASP 30 - N ILE 32 2.75 10 0.21 0.65 +++++ + + +*+ VdW CG1 VAL 31 - C VAL 31 2.90 10 0.17 0.33 +++ + ++ * +++ VdW CB ASN 33 - HA ASP 123 2.60 10 0.20 0.49 +++ + ++* + ++ VdW HB2 ASN 33 - CB ASP 123 2.60 6 0.11 0.46 + * ++ + + VdW HA THR 39 - CD PRO 40 2.60 13 0.23 0.30 +++ ++ ++ + +* ++ + VdW CG1 VAL 43 - C VAL 43 2.90 8 0.12 0.32 + + + ++ * + + VdW HA LEU 47 - CD PRO 48 2.60 10 0.20 0.31 +*+ + + + +++ + VdW CD2 LEU 47 - C LEU 47 3.10 7 0.16 0.56 + + + + +* + VdW HA VAL 64 - CD PRO 65 2.60 12 0.18 0.30 ++ ++*+ ++ + +++ VdW N HIS 72 - CD2 HIS 72 3.05 9 0.21 0.43 + +*++ + + + + VdW CB VAL 79 - H THR 80 2.55 6 0.11 0.40 + + + + + * VdW CG1 VAL 79 - C VAL 79 2.90 8 0.12 0.30 + + + + ++ * + VdW CG1 VAL 79 - N THR 80 3.05 7 0.15 0.44 ++ ++*+ + VdW C SER 81 - H GLU 83 2.45 7 0.12 0.39 ++ + *+ + + VdW C ASP 82 - N LEU 84 2.95 6 0.09 0.38 + ++ ++ * VdW O ASP 82 - N LEU 84 2.75 6 0.12 0.57 + ++ ++ * VdW C GLU 83 - N GLU 85 2.95 7 0.11 0.33 + +*+ + ++ VdW C GLU 83 - H GLU 85 2.45 8 0.18 0.60 + *++ ++ ++ VdW O GLU 83 - N GLU 85 2.75 7 0.14 0.69 + +++ + * + VdW O LEU 84 - N ASN 86 2.75 6 0.15 0.74 + +*+ + + VdW CB ASN 86 - H LEU 87 2.55 9 0.15 0.38 ++ + + ++ ++ * VdW CB ASP 88 - HA THR 115 2.60 8 0.16 0.46 *+ + + ++ + + VdW H VAL 90 - CG2 VAL 90 2.55 10 0.21 0.45 * + + + +++ + + + VdW C ASN 107 - N GLU 109 2.95 13 0.22 0.36 +++++ + +++*+ ++ VdW C ASN 107 - H GLU 109 2.45 16 0.43 0.62 ++++++ +++ +++++ +* VdW O ASN 107 - N GLU 109 2.75 12 0.22 0.44 +++++ + +++* ++ VdW O LYS 114 - CB THR 115 2.90 7 0.17 0.50 + + +++ * + VdW O LYS 114 - OG1 THR 115 2.60 9 0.18 0.58 + + + ++ ++*+ VdW CG TYR 116 - O TYR 116 2.90 8 0.16 0.43 + ++ ++ + + * VdW CG1 ILE 119 - C ILE 119 2.90 6 0.10 0.31 + + * + ++ VdW O LYS 121 - N ASP 123 2.75 6 0.10 0.47 ++ + + * + VdW O ALA 122 - CB ASP 123 2.90 7 0.11 0.35 + + ++ + *+ VdW O ALA 122 - C ASP 123 2.80 7 0.14 0.47 + + + + + +* VdW C ASP 123 - H ASP 125 2.45 7 0.15 0.38 + + ++ + * + VdW H PHE 132 - CG PHE 132 2.55 8 0.14 0.42 + + + * + ++ + VdW CA GLU 133 - HA ILE 150 2.60 11 0.25 0.63 ++*++ + +++ ++ VdW HA GLU 133 - CA ILE 150 2.60 10 0.19 0.60 ++++* + ++ ++ VdW HA GLU 133 - HA ILE 150 2.00 8 0.21 0.66 +++ + + ++ * VdW O GLU 133 - HB2 ARG 137 2.30 6 0.11 0.39 ++ + + * + VdW CG GLU 134 - C GLU 134 2.90 6 0.09 0.24 * + + + + + VdW HB3 LYS 136 - N LYS 141 2.45 7 0.15 0.47 + + + + +* + VdW C LYS 136 - N LEU 138 2.95 16 0.26 0.43 ++++++ +++ ++*++++ VdW C LYS 136 - H LEU 138 2.45 16 0.31 0.58 ++++++ +++ ++*++++ VdW C LYS 136 - HB3 LYS 141 2.50 9 0.14 0.45 ++ *+ + + + + + VdW O LYS 136 - N LEU 138 2.75 17 0.31 0.62 +++++++ +++ ++*++++ VdW O LYS 136 - HD3 LYS 141 2.30 8 0.14 0.49 +++ + + +* + VdW C ARG 137 - HD2 LYS 141 2.50 6 0.14 0.50 + + + * + + VdW O ARG 137 - HD2 LYS 141 2.30 7 0.15 0.62 + + ++ + +* VdW H LYS 141 - HD3 LYS 141 1.95 6 0.10 0.27 ++ + + +* VdW HA LYS 141 - CB GLU 145 2.60 6 0.08 0.43 +* + + ++ VdW HA LYS 141 - HB2 GLU 145 2.00 6 0.11 0.45 +++ + + * VdW C LYS 141 - N PHE 143 2.95 7 0.16 0.35 + +++ *++ VdW C LYS 141 - H PHE 143 2.45 6 0.14 0.41 + ++ *++ VdW O LYS 141 - N THR 146 2.75 6 0.09 0.26 + *+ ++ + VdW CG2 ILE 144 - CD1 ILE 144 3.00 15 0.22 0.30 ++++ ++ +++ ++* +++ VdW HG23 ILE 144 - H GLU 145 1.95 6 0.11 0.38 + + + + *+ VdW CG2 THR 146 - C THR 146 2.90 11 0.17 0.32 +++*+++ ++ + + VdW CB LYS 148 - H LYS 149 2.55 12 0.19 0.39 ++++ +* ++ ++ + + VdW O LYS 149 - N GLU 152 2.75 6 0.14 0.38 ++ + + * + VdW C CYS 153 - H LYS 155 2.45 6 0.17 0.25 ++ ++ * + Angle PHI HIS 18 -140.00 -116.00 18 17.42 49.53 ++++*+++ +++++ +++++ Angle PSI HIS 18 138.00 158.00 11 8.00 36.13 ++ *++ + ++ ++ + Angle PHI ASN 19 -138.00 -88.00 12 13.81 79.58 + ++++* ++++ + + Angle PSI ASN 19 124.00 156.00 10 12.02 43.62 + ++ *+ + ++++ Angle PHI VAL 20 -133.00 -113.00 12 11.98 53.33 + +++ ++ + ++*+ + Angle PSI VAL 20 118.00 144.00 10 6.34 22.06 ++++ ++ * +++ Angle PHI PHE 21 -128.00 -94.00 12 10.47 37.11 +*++ +++++ + ++ Angle PSI PHE 21 124.00 148.00 10 5.66 18.21 ++ ++ *+++ + + Angle PSI PRO 29 -39.00 -29.00 12 10.36 36.03 + + ++ +++ + +*+ + Angle PHI ASP 30 -76.00 -56.00 13 9.61 43.49 + + +++ ++ +++*++ Angle PSI ASP 30 -48.00 -28.00 10 21.39 54.29 + ++++ +++* + Angle PHI VAL 31 -76.00 -56.00 20 36.02 77.43 +++++++++++++*++++++ Angle PSI VAL 31 -53.00 -31.00 16 15.87 36.33 ++ +++ ++++++++* ++ Angle PHI ILE 32 -73.00 -53.00 20 28.97 65.33 ++++++++++*+++++++++ Angle PSI ILE 32 -55.00 -35.00 17 14.41 38.51 +++++ *++ +++ ++++++ Angle PHI ASN 33 -74.00 -54.00 8 7.10 54.41 +*++ + ++ + Angle PSI ASN 33 -52.00 -32.00 10 6.49 33.59 + * + ++++++ + Angle PHI VAL 34 -81.00 -61.00 15 10.42 35.69 +* ++ + ++++++++++ Angle PSI VAL 34 -51.00 -31.00 10 6.84 30.31 ++ * + + ++ ++ + Angle PHI MET 35 -78.00 -58.00 8 5.28 31.36 ++ + *+ + + + Angle PSI MET 35 -35.00 -15.00 6 5.35 30.16 ++ + + * + Angle PHI LEU 36 -115.00 -83.00 7 6.14 26.69 *+ + +++ + Angle PHI THR 39 -125.00 -97.00 7 3.53 13.56 ++ + +* ++ Angle PSI ILE 42 124.00 144.00 13 8.89 20.83 + +++++ + *+++ + + Angle PHI VAL 43 -132.00 -112.00 11 7.45 16.72 + +++ + +* + ++ + Angle PSI VAL 43 115.00 145.00 8 5.05 26.83 + + + + +++ * Angle PHI SER 44 -113.00 -77.00 15 12.40 26.79 +++ ++ + + +*++++++ Angle PSI SER 44 124.00 144.00 8 6.16 29.17 +*+ +++ ++ Angle PHI ALA 45 -145.00 -125.00 11 8.53 26.96 ++ ++++ +++ *+ Angle PSI ALA 45 131.00 157.00 11 8.43 47.95 +++ + + *++ +++ Angle PHI THR 46 -134.00 -92.00 15 12.92 27.13 +++ +++ +++ ++ *+++ Angle PSI THR 46 118.00 138.00 9 5.40 18.38 + ++ + * + ++ + Angle PHI LEU 47 -131.00 -99.00 6 4.75 24.27 ++ + + + * Angle PSI LEU 47 93.00 143.00 8 4.53 21.50 + + + + +* + + Angle PSI PRO 48 133.00 147.00 16 19.40 49.95 + ++++++++ +*+++ ++ Angle PHI PHE 50 -149.00 -103.00 9 10.49 36.36 + + ++*+ + + + Angle PSI PHE 50 145.00 175.00 12 9.25 26.57 + +++ + +*+ ++ ++ Angle PHI GLN 51 -164.00 -140.00 18 15.96 29.03 +++++++ *++ ++++++++ Angle PSI ARG 52 113.00 141.00 20 19.55 27.15 +*++++++++++++++++++ Angle PSI CYS 62 149.00 169.00 7 4.08 13.00 + + * ++ ++ Angle PHI ILE 63 -151.00 -129.00 8 3.52 14.66 + ++ + +++* Angle PSI ILE 63 146.00 170.00 9 4.67 15.20 + + + ++++ + * Angle PHI VAL 64 -151.00 -127.00 8 4.90 15.80 + *++ + + + + Angle PSI VAL 64 146.00 170.00 12 8.98 24.85 ++ ++*+ ++ ++++ Angle PHI SER 66 -124.00 -76.00 7 5.10 22.21 + +++ + + * Angle PSI SER 66 99.00 147.00 8 4.73 16.00 + ++ *+ +++ Angle PHI GLU 67 -72.00 -52.00 16 10.91 21.36 ++++++ + +++++ *+++ Angle PSI VAL 71 120.00 142.00 10 5.36 14.21 ++ + + ++*+ + + Angle PHI HIS 72 -116.00 -70.00 12 7.68 20.19 ++ +*++ + +++ ++ Angle PSI HIS 72 113.00 157.00 6 3.45 16.83 +++ ++ * Angle PHI LYS 74 -150.00 -122.00 7 5.47 22.46 + + + + + +* Angle PSI LYS 74 148.00 172.00 16 15.41 35.43 +*+++ + ++++++++ + + Angle PHI VAL 75 -138.00 -108.00 17 21.38 47.20 +++++*+ ++++++++ + + Angle PSI VAL 75 116.00 146.00 13 8.90 23.30 +*+++++ ++ ++ ++ Angle PHI LEU 76 -116.00 -96.00 13 10.50 28.68 ++++ *+ ++++ + + + Angle PSI LEU 76 104.00 128.00 13 9.22 27.61 ++++ +++ + + *+++ Angle PHI MET 77 -128.00 -70.00 6 3.33 16.85 + ++ + * + Angle PSI MET 77 118.00 174.00 9 9.51 34.53 + +++ + * +++ Angle PHI THR 80 -117.00 -71.00 8 5.00 31.90 + + + * +++ + Angle PSI THR 80 159.00 179.00 13 12.31 30.02 + *+++++++ ++ + + Angle PHI SER 81 -70.00 -50.00 13 10.10 38.58 + + + ++ ++ ++ ++*+ Angle PSI SER 81 -47.00 -27.00 6 5.92 26.45 ++ + *+ + Angle PHI ASP 82 -77.00 -57.00 7 8.58 45.32 ++ * ++ ++ Angle PSI ASP 82 -50.00 -30.00 14 16.36 34.86 ++++++ ++ ++ + ++* Angle PHI GLU 83 -79.00 -59.00 15 15.18 43.48 +++++ +++ +++++ *+ Angle PSI GLU 83 -49.00 -29.00 13 15.03 40.95 +*+ ++++++ + ++ + Angle PHI LEU 84 -74.00 -54.00 14 10.14 45.95 +* + ++++ +++++++ Angle PSI LEU 84 -52.00 -32.00 14 23.73 99.22 ++++++ ++++ +*++ Angle PHI GLU 85 -75.00 -55.00 14 11.64 29.53 ++*+++++ +++ + + + Angle PSI GLU 85 -51.00 -31.00 15 25.51 97.54 + ++ + ++++ *+ +++++ Angle PHI ASN 86 -76.00 -56.00 16 23.15 69.95 + +++++++ ++++++* + Angle PSI ASN 86 -52.00 -32.00 17 33.56 60.22 ++ ++++++++++ ++++* Angle PHI LEU 87 -72.00 -52.00 19 41.59 82.74 +++++++++++ ++*+++++ Angle PSI LEU 87 -51.00 -31.00 15 27.45 81.75 ++ +++ ++*+++ ++++ Angle PHI ASP 88 -72.00 -52.00 18 25.38 51.48 ++++++++++++++ +++ * Angle PSI ASP 88 -50.00 -30.00 15 12.49 29.13 +++++ ++++ + +*+++ Angle PHI ALA 89 -73.00 -53.00 15 10.06 39.22 ++ +++ ++++++ ++* + Angle PSI ALA 89 -52.00 -32.00 12 12.01 42.92 + + + + + + +*+ +++ Angle PHI VAL 90 -76.00 -56.00 10 5.91 20.49 + +++ * ++ ++ + Angle PSI VAL 90 -56.00 -36.00 10 6.61 21.93 ++ + ++ ++ + +* Angle PHI GLU 91 -94.00 -58.00 9 5.43 15.46 * + +++ ++ ++ Angle PSI GLU 91 -43.00 -1.00 9 7.45 40.01 ++ + + +*++ + Angle PHI TYR 95 -139.00 -105.00 6 4.67 15.03 + +* ++ + Angle PSI TYR 95 143.00 163.00 14 12.86 33.42 +++ +++++*++ +++ Angle PHI GLU 96 -153.00 -121.00 9 9.65 48.36 ++ + + ++* ++ Angle PSI GLU 96 127.00 161.00 8 6.70 38.42 + + +*+ + ++ Angle PHI ARG 97 -111.00 -87.00 8 8.24 34.28 + + + *++ ++ Angle PSI ARG 97 117.00 137.00 10 6.38 24.95 * +++++ + +++ Angle PHI VAL 98 -133.00 -111.00 11 9.02 24.15 ++ ++ ++* + +++ Angle PSI VAL 98 130.00 160.00 8 6.32 31.61 + ++ +* ++ + Angle PHI THR 99 -111.00 -87.00 7 6.54 22.17 ++ * ++ + + Angle PSI THR 99 123.00 143.00 12 7.34 22.70 +++++ + + +++*+ Angle PHI VAL 100 -143.00 -123.00 10 6.31 18.42 +++ ++ ++ +*+ Angle PSI GLU 105 -55.00 -35.00 10 6.53 15.42 + +++*+ + + + + Angle PHI ASP 106 -82.00 -58.00 11 6.61 15.99 +++ + + + +++* + Angle PSI SER 108 -45.00 9.00 6 3.36 13.09 + ++ ++ * Angle PHI LYS 110 -111.00 -69.00 7 3.94 18.41 + + + + *+ + Angle PSI LYS 110 126.00 148.00 8 6.07 27.72 ++ + + ++ * + Angle PHI MET 111 -155.00 -93.00 7 4.36 18.64 ++++ + * + Angle PSI MET 111 134.00 158.00 10 8.17 27.31 + ++ +*++ ++ + Angle PHI ALA 112 -118.00 -86.00 11 11.14 40.40 + + +++ +++*+ + Angle PSI ALA 112 120.00 144.00 8 4.72 23.04 + + + + * ++ + Angle PHI VAL 113 -146.00 -126.00 15 9.65 24.17 +++ + ++ +++++++* + Angle PSI VAL 113 147.00 173.00 6 5.84 34.16 ++* + ++ Angle PHI LYS 114 -141.00 -95.00 6 8.03 37.81 + +* + + + Angle PSI LYS 114 134.00 164.00 20 37.25 77.97 +++++++++++*++++++++ Angle PHI THR 115 -163.00 -113.00 20 38.49 60.98 ++++*+++++++++++++++ Angle PSI THR 115 124.00 174.00 14 14.74 64.64 ++++++ ++ + +*+++ Angle PHI TYR 116 -124.00 -96.00 16 12.98 40.31 ++++++ + +++++*+++ Angle PSI TYR 116 108.00 138.00 17 18.47 40.41 +++++ + ++*+ +++++++ Angle PHI MET 117 -145.00 -107.00 15 14.24 38.10 +++++++ ++++ *+ + + Angle PSI MET 117 118.00 156.00 7 7.12 39.64 ++ + + + +* Angle PSI TRP 118 117.00 157.00 14 10.67 29.63 +++*++++ ++ +++ + Angle PHI ILE 119 -72.00 -52.00 17 16.83 35.55 +++*++++ + ++++++++ Angle PSI ILE 119 -41.00 -21.00 10 9.35 28.52 + + + + + *+++ + Angle PHI ASN 120 -104.00 -78.00 10 8.87 30.24 + ++ + + + ++* + Angle PSI ASN 120 -11.00 9.00 15 12.52 25.50 + +++ ++ +++* +++++ Angle PSI PHE 132 -54.00 -34.00 12 6.75 18.12 +++++*+ + ++ ++ Angle PHI GLU 133 -76.00 -56.00 6 3.49 10.37 ++* ++ + Angle PSI GLU 133 -50.00 -30.00 11 8.21 35.89 + + ++ +++ +++ * Angle PHI GLU 134 -78.00 -58.00 13 14.91 44.87 +++++* + ++++ + + Angle PSI GLU 134 -54.00 -34.00 17 20.92 39.83 +++*+ + +++++++++++ Angle PHI TRP 135 -73.00 -53.00 15 12.15 51.69 ++ + ++++++++ *+++ Angle PSI TRP 135 -52.00 -32.00 16 16.73 35.86 ++++++ ++++ ++* +++ Angle PHI LYS 136 -73.00 -53.00 9 9.92 39.06 + + ++ + +++* Angle PSI LYS 136 -52.00 -32.00 14 18.40 59.36 ++++++ ++++ ++*+ Angle PHI ARG 137 -74.00 -54.00 17 11.97 23.62 +++++ ++++ *+++++++ Angle PSI ARG 137 -51.00 -31.00 19 15.93 44.89 ++++++ *++++++++++++ Angle PHI LEU 138 -91.00 -71.00 16 11.93 33.14 + +++++++* ++++++ + Angle PSI LEU 138 -45.00 -15.00 17 15.92 48.94 ++++++++++ *++++ ++ Angle PHI HIS 139 -107.00 -71.00 17 37.57 54.41 ++*++++ ++++++++ ++ Angle PSI LYS 140 -53.00 -33.00 8 7.22 47.55 +++ ++ + * + Angle PSI LYS 141 -51.00 -31.00 8 6.69 29.94 + + * ++++ + Angle PHI LYS 142 -75.00 -55.00 17 11.73 33.34 +++++++* + ++++ ++++ Angle PSI LYS 142 -49.00 -29.00 15 7.67 17.17 ++ + +++ + +++++++* Angle PHI PHE 143 -76.00 -56.00 6 8.44 49.90 + + ++ + * Angle PSI PHE 143 -54.00 -34.00 18 27.52 65.92 +++++++ +++++++* +++ Angle PHI ILE 144 -73.00 -53.00 18 41.89 63.87 +++++++ +++++++*+++ Angle PHI GLU 145 -71.00 -51.00 11 5.97 18.08 + +++++ +*++ + Angle PSI GLU 145 -51.00 -31.00 8 5.24 20.93 + +++ * +++ Angle PHI THR 146 -79.00 -59.00 13 9.36 22.86 + +++++ ++*++ ++ Angle PSI THR 146 -48.00 -28.00 8 6.28 31.31 + + + ++ ++ * Angle PHI PHE 147 -77.00 -57.00 15 14.81 45.93 +++ ++ +++++++++ * Angle PSI PHE 147 -50.00 -30.00 11 7.50 36.02 ++ ++++ ++ + +* Angle PHI LYS 148 -74.00 -54.00 10 8.11 44.65 +++ + ++ + * + + Angle PSI LYS 148 -48.00 -28.00 20 39.74 67.80 +++++++*++++++++++++ Angle PHI LYS 149 -74.00 -54.00 16 36.07 82.42 +++++++* ++ ++ ++ ++ Angle PSI LYS 149 -48.00 -28.00 11 10.14 32.11 ++ + +*+ + +++ + Angle PHI ILE 150 -74.00 -54.00 19 17.30 52.31 +++++++*+++++++++ ++ Angle PHI MET 151 -76.00 -56.00 13 7.22 31.04 + ++ ++* +++++++ Angle PHI GLU 152 -76.00 -56.00 7 4.81 19.37 ++ + + + + * Angle PHI CYS 153 -73.00 -53.00 15 10.93 25.40 +++++ ++ ++ *+++ ++ Angle PSI LYS 154 -44.00 -20.00 12 5.33 9.97 ++++ + +* +++++ 47 violated distance constraints. 153 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.50 +/- 1.33 A (6.41..10.70 A) Average heavy atom RMSD to mean : 9.15 +/- 1.25 A (7.26..11.28 A)