Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 31.40 121 0.0474 0.77 20 29.9 0.37 5 1.5810 9.46 2 31.57 120 0.0482 0.77 20 29.7 0.48 6 1.5237 9.77 3 31.88 141 0.0500 0.91 12 30.2 0.36 9 1.5633 9.22 4 32.45 133 0.0497 0.88 14 30.4 0.30 6 1.4914 9.33 5 32.76 124 0.0492 0.85 21 30.8 0.38 7 1.6343 10.79 6 32.77 129 0.0488 0.89 16 29.6 0.37 7 1.4822 9.14 7 32.77 127 0.0490 0.79 21 31.7 0.47 5 1.5365 9.40 8 32.85 126 0.0497 0.87 15 30.3 0.47 5 1.5309 9.29 9 32.86 125 0.0499 0.88 15 28.8 0.37 4 1.4894 9.85 10 32.87 127 0.0504 0.83 14 30.4 0.35 5 1.5525 9.55 11 32.92 124 0.0507 0.77 18 28.6 0.52 9 1.6871 10.33 12 32.93 135 0.0489 0.88 26 31.0 0.32 4 1.5380 9.58 13 32.96 128 0.0480 0.85 24 33.2 0.46 9 1.6931 10.53 14 33.14 132 0.0484 0.75 19 32.8 0.48 5 1.5085 9.48 15 33.21 124 0.0500 0.84 20 30.1 0.48 7 1.5975 9.54 16 33.26 129 0.0499 0.98 20 30.6 0.43 7 1.5922 9.90 17 33.26 126 0.0495 0.98 19 31.8 0.47 8 1.5318 9.73 18 33.27 136 0.0506 0.91 19 30.1 0.37 6 1.6597 9.45 19 33.38 126 0.0490 0.86 24 31.0 0.46 9 1.6255 9.51 20 33.42 127 0.0497 0.73 20 30.4 0.35 5 1.5549 9.09 Ave 32.80 128 0.0493 0.85 19 30.6 0.41 6 1.5687 9.65 +/- 0.55 5 0.0009 0.07 4 1.1 0.06 2 0.0622 0.44 Min 31.40 120 0.0474 0.73 12 28.6 0.30 4 1.4822 9.09 Max 33.42 141 0.0507 0.98 26 33.2 0.52 9 1.6931 10.79 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLU 41 - HB2 GLU 41 3.34 8 0.10 0.25 *+ + + + ++ + peak 736 Upper QB ALA 43 - QQD LEU 68 3.59 15 0.23 0.35 ++++ ++++*++ ++++ peak 2504 Upper QB ALA 43 - HD1 TRP 72 3.33 19 0.27 0.50 ++++ +++++*+++++++++ peak 223 Upper H ARG 44 - HD2 ARG 44 5.50 9 0.15 0.30 + + + ++ ++ * + peak 4152 Upper QG ARG 44 - HZ2 TRP 72 4.42 11 0.18 0.29 + + + *++ ++ +++ peak 199 Upper H LEU 45 - HG LEU 45 3.41 6 0.14 0.33 + *++ ++ peak 686 Upper H LEU 45 - QD1 LEU 45 4.03 17 0.18 0.22 ++++++ +++++*++++ + peak 688 Upper HA LEU 45 - QD2 LEU 45 3.89 9 0.17 0.22 ++++ + ++* + peak 764 Upper HA ARG 46 - QD ARG 46 3.55 17 0.24 0.31 ++ ++++ ++++++ +*+++ peak 1170 Upper QD PHE 47 - QD1 LEU 65 4.38 20 0.34 0.55 ++++++++++++++*+++++ peak 2398 Upper QD PHE 47 - H GLN 391 4.91 20 0.63 0.73 ++++++++*+++++++++++ peak 97 Upper HZ PHE 47 - H CYS 69 4.90 14 0.27 0.42 ++ ++ + ++* ++++ ++ peak 86 Upper HZ PHE 47 - HA GLN 391 4.64 14 0.22 0.33 ++ *+++ ++ ++ ++++ peak 87 Upper H PHE 50 - H HIS 51 4.38 12 0.20 0.24 ++ ++ + +*+++++ peak 140 Upper H PHE 50 - QQD LEU 65 4.48 10 0.17 0.27 +++ + + ++ + +* peak 779 Upper HA PHE 50 - HB2 HIS 51 4.87 13 0.32 0.57 ++ ++ + +++ +* +++ peak 2041 Upper QD PHE 50 - QG GLU 53 4.40 20 0.46 0.61 ++++++++++++++*+++++ peak 4125 Upper QE PHE 50 - H LEU 62 4.87 18 0.37 0.61 ++++++++++ +++ +++*+ peak 78 Upper QE PHE 50 - HA PHE 392 4.67 7 0.18 0.24 + ++ ++ + * peak 84 Upper H TYR 52 - QD TYR 52 3.89 20 0.29 0.30 ++*+++++++++++++++++ peak 62 Upper QD TYR 52 - QG PRO 397 3.20 15 0.21 0.26 + + ++++++ ++++ ++ * peak 243 Upper QD TYR 52 - HG2 PRO 397 3.73 20 0.46 0.52 +++++++++++++++++++* peak 243 Upper QE TYR 52 - QB ALA 61 3.07 20 0.30 0.36 +++++++++++++++*++++ peak 233 Upper QE TYR 52 - QG PRO 397 3.33 20 0.39 0.47 +++++*++++++++++++++ peak 231 Upper QB GLU 53 - QB ALA 61 4.28 19 0.49 0.62 +++++*++++ +++++++++ peak 8142 Upper QG GLU 53 - QB ALA 55 3.68 20 0.60 0.70 ++++++++++++++*+++++ peak 1710 Upper HA THR 56 - QG2 THR 56 2.98 20 0.22 0.23 ++++++++++++*+++++++ peak 704 Upper HA THR 56 - H GLY 57 3.21 20 0.23 0.26 ++++++++++*+++++++++ peak 819 Upper HB THR 56 - HG3 GLU 60 4.55 19 0.44 0.50 ++++++++++++++ ++*++ peak 2105 Upper H GLY 57 - QG GLU 60 4.89 20 0.31 0.46 ++++++++++++++*+++++ peak 824 Upper HA GLN 59 - HB3 LEU 62 4.21 20 0.28 0.40 ++++++++++*+++++++++ peak 1873 Upper H GLU 60 - QG GLU 60 3.49 20 0.46 0.53 ++++++++++++++*+++++ peak 860 Upper H GLU 60 - HG2 GLU 60 4.26 16 0.22 0.29 ++++++++ + +*+ ++++ peak 860 Upper H GLU 60 - QB ALA 63 4.69 7 0.19 0.26 + + ++ * + + peak 863 Upper HA GLU 60 - HG2 GLU 60 3.54 19 0.25 0.28 ++++++++*+++++ +++++ peak 2227 Upper HA GLU 60 - H GLN 64 4.40 9 0.15 0.32 + + *+++ ++ + peak 2247 Upper HG2 GLU 60 - H GLN 64 5.41 11 0.21 0.32 + +++*++ ++ + + peak 2244 Upper HA ALA 61 - QB GLN 64 3.62 8 0.17 0.47 ++ + *++ + + peak 4210 Upper HA ALA 61 - HB2 GLN 64 4.39 8 0.10 0.31 ++ + *++ + + peak 2330 Upper HA ALA 61 - HB3 GLN 64 4.39 12 0.24 0.55 + +++++++ *+ + + peak 4210 Upper HA ALA 61 - HG2 GLN 64 4.77 11 0.22 0.43 + +*+++++ + + + peak 2329 Upper H LEU 62 - HB3 LEU 65 5.50 20 0.52 0.73 +++++++++++++++++++* peak 4222 Upper H LEU 62 - QD2 LEU 65 5.37 10 0.18 0.42 ++ ++ ++++* + peak 2407 Upper H LEU 62 - QQG VAL 388 4.98 6 0.18 0.28 + + + * + + peak 886 Upper HA LEU 62 - QD1 LEU 62 3.57 20 0.24 0.25 +++*++++++++++++++++ peak 8304 Upper HG LEU 62 - H ALA 63 3.86 20 0.60 0.64 ++*+++++++++++++++++ peak 1399 Upper QQD LEU 62 - HG LEU 65 4.67 20 0.39 0.47 +*++++++++++++++++++ peak 2375 Upper HA ALA 63 - H GLU 67 3.91 20 0.59 0.68 +*++++++++++++++++++ peak 214 Upper HA GLN 64 - HG3 GLN 64 3.73 9 0.11 0.28 ++ + *+++ + + peak 1339 Upper HA GLN 64 - HE22 GLN 64 5.21 19 0.42 0.58 ++++++++++*+++ +++++ peak 394 Upper HA GLN 64 - HG3 GLU 67 4.62 12 0.34 0.61 ++++++ + *+ ++ + peak 2453 Upper HB3 GLN 64 - H LEU 65 3.82 9 0.16 0.38 *+ + ++++ + + peak 4218 Upper HG2 GLN 64 - H LEU 65 4.69 11 0.28 0.57 + *++++++ + + + peak 939 Upper H LEU 65 - QD2 LEU 65 4.15 8 0.18 0.26 *+ + +++ + + peak 937 Upper HA LEU 65 - HB3 LEU 68 4.84 6 0.13 0.25 ++ * + ++ peak 4243 Upper H GLU 67 - QG GLU 67 3.60 8 0.15 0.34 * + + + + ++ + peak 950 Upper H GLU 67 - HG3 GLU 67 4.30 10 0.13 0.28 ++ + + +++ *+ + peak 2468 Upper H GLU 67 - QD1 LEU 68 4.80 19 0.28 0.37 ++++*+++++++++ +++++ peak 1410 Upper H GLU 67 - QQD LEU 68 4.23 15 0.23 0.31 +++ +++++*+ ++++ + peak 1410 Upper H GLU 67 - QD2 LEU 68 4.80 9 0.16 0.40 + + +++*+ + + peak 956 Upper H GLU 67 - H ARG 70 4.52 20 0.37 0.57 +++*++++++++++++++++ peak 195 Upper HA GLU 67 - HD3 ARG 70 4.82 12 0.21 0.37 + + + ++ ++ +*+++ peak 2591 Upper QQD LEU 68 - H CYS 69 3.67 9 0.19 0.27 ++ + *++ +++ peak 2535 Upper QD2 LEU 68 - H CYS 69 4.25 19 0.36 0.42 ++++ +++++++++*+++++ peak 2535 Upper HA CYS 69 - H ARG 74 5.50 14 0.25 0.57 + + ++ +++*+ ++ +++ peak 4237 Upper HA CYS 69 - QQG VAL 388 4.10 11 0.21 0.37 + +*+ ++++ + ++ peak 2555 Upper HA CYS 69 - QG1 VAL 388 5.50 14 0.24 0.37 +++ +*++++ ++++ + peak 2555 Upper H ARG 70 - HG3 ARG 70 4.23 18 0.36 0.42 +++ *++++ ++++++++++ peak 1412 Upper HA GLN 71 - HE22 GLN 71 5.18 11 0.32 0.65 ++ +* + + ++ + ++ peak 1377 Upper HG2 GLN 71 - H TRP 72 4.88 8 0.12 0.33 ++ + + + * ++ peak 2622 Upper H TRP 72 - QD1 LEU 73 5.41 20 0.31 0.37 +++++*++++++++++++++ peak 283 Upper H TRP 72 - QQD LEU 73 4.72 13 0.20 0.26 ++ + +++ * +++ ++ + peak 1341 Upper HE3 TRP 72 - QD2 LEU 387 4.40 7 0.14 0.28 + + *+ ++ + peak 208 Upper H LEU 73 - HD2 PRO 75 5.22 16 0.31 0.47 ++ ++++ +++++++ *+ + peak 2707 Upper HA LEU 73 - QE MET 383 4.94 8 0.14 0.33 *++ + + + + + peak 2648 Upper QQD LEU 73 - QE MET 83 3.11 20 0.41 0.62 ++++++++++*+++++++++ peak 4258 Upper QD1 LEU 73 - QE MET 83 3.92 18 0.41 0.58 +++++++++*++++++ + + peak 4258 Upper H GLU 76 - QE MET 83 4.09 19 0.30 0.38 +++ ++++*+++++++++++ peak 1012 Upper H GLU 76 - QB LYS 380 4.00 14 0.23 0.42 ++ + + + ++++++* ++ peak 1014 Upper H ARG 78 - H SER 79 4.39 10 0.15 0.22 + + + +++ +++* peak 321 Upper H ARG 78 - QG MET 83 4.83 20 0.83 0.98 +++++++++++++++*++++ peak 1022 Upper H SER 79 - H MET 83 4.67 7 0.13 0.39 ++ + * + + + peak 320 Upper HA SER 79 - H GLU 81 4.07 6 0.11 0.32 + + + ++* peak 344 Upper QG LYS 80 - QE MET 83 3.72 14 0.37 0.80 ++++++++++++ * + peak 8123 Upper QD LYS 80 - QQD LEU 84 4.74 14 0.23 0.45 +++++++ +++ *+++ peak 2853 Upper H GLU 81 - QE MET 83 4.93 6 0.12 0.37 ++ + + + * peak 1649 Upper HA GLU 81 - QB LEU 84 3.38 8 0.16 0.58 ++ ++* +++ peak 4323 Upper H MET 83 - HG2 MET 83 3.51 11 0.28 0.59 ++ + * + + +++ + + peak 1068 Upper HA MET 83 - QE MET 83 3.65 10 0.20 0.52 ++ + + +++ * ++ peak 4334 Upper HA MET 83 - QD2 LEU 86 4.27 20 0.39 0.47 ++++++++++++++++*+++ peak 2975 Upper HA MET 83 - QQD LEU 373 3.95 10 0.26 0.58 + + ++*+ +++ + peak 2973 Upper HA MET 83 - QD1 LEU 373 4.84 11 0.20 0.47 + ++ + * ++ + +++ peak 4113 Upper HA MET 83 - QD2 LEU 373 4.84 7 0.19 0.63 * + + +++ + peak 2973 Upper HA LEU 84 - QD1 LEU 87 4.27 10 0.31 0.69 + ++*+ +++ ++ peak 3123 Upper QB LEU 84 - QB LEU 87 4.27 6 0.15 0.33 + ++ + * + peak 3001 Upper QB LEU 84 - H ARG 370 4.72 6 0.15 0.30 + ++ * + + peak 8249 Upper QB LEU 84 - QD1 LEU 373 4.59 10 0.25 0.79 + ++ * ++ + +++ peak 2939 Upper QQD LEU 84 - H LEU 87 4.58 19 0.39 0.70 ++ *++++++++++++++++ peak 8320 Upper QQD LEU 84 - HG LEU 373 2.72 16 0.45 0.88 + ++++ +*+++ + +++++ peak 8349 Upper QQD LEU 84 - HA PRO 375 4.12 18 0.42 0.66 +++++++* ++ ++++++++ peak 3007 Upper HA GLU 85 - HG3 GLU 85 3.44 7 0.16 0.29 + ++ * + + + peak 325 Upper HA GLU 85 - QG1 VAL 88 3.94 17 0.24 0.33 ++ ++*+++ ++++++ +++ peak 3032 Upper H LEU 86 - HB2 LEU 87 5.21 20 0.48 0.68 ++*+++++++++++++++++ peak 3105 Upper H LEU 87 - HG LEU 87 3.24 10 0.30 0.65 + ++++ +*+ ++ peak 1109 Upper H LEU 87 - QD1 LEU 87 3.77 20 0.45 0.51 +++++++++++++++++*++ peak 1104 Upper H LEU 87 - QD2 LEU 87 3.77 6 0.11 0.32 + + * ++ + peak 3091 Upper QQD LEU 87 - HG LEU 373 3.28 18 0.24 0.42 ++++ +++ ++++*++++++ peak 8229 Upper QQD LEU 89 - QG PRO 112 3.44 20 0.36 0.41 +++*++++++++++++++++ peak 4472 Upper H GLU 90 - QQD LEU 93 4.55 9 0.19 0.30 + ++ + + + *+ + peak 1148 Upper QB GLU 90 - HH2 TRP 372 5.20 9 0.19 0.37 + + ++ *+ +++ peak 3205 Upper H PHE 92 - HA LEU 93 4.57 20 0.75 0.87 +++++++*++++++++++++ peak 428 Upper QE PHE 92 - QB ALA 95 4.43 20 0.33 0.51 +++++++*++++++++++++ peak 160 Upper QE PHE 92 - H VAL 119 4.79 14 0.22 0.29 ++ + + +*+ + ++++++ peak 131 Upper HZ PHE 92 - QB ALA 361 4.36 13 0.22 0.28 *++++++ + ++ ++ + peak 171 Upper QQD LEU 93 - HA GLN 105 3.95 17 0.28 0.47 ++++++++++ *++++++ peak 3279 Upper QD1 LEU 93 - H ALA 115 5.27 17 0.31 0.44 + *+++++++ ++++++++ peak 3299 Upper QB ALA 95 - QE TYR 352 4.59 19 0.29 0.43 +++++*+++++ ++++++++ peak 8176 Upper H LEU 96 - QG2 ILE 100 4.86 20 0.36 0.42 +++++++++++*++++++++ peak 1673 Upper H LEU 96 - HA GLN 101 5.13 16 0.21 0.25 ++++ +++++ ++++++* peak 462 Upper QD1 LEU 96 - H ILE 100 5.13 20 0.29 0.31 ++++++++++*+++++++++ peak 234 Upper QQD LEU 96 - H GLN 105 4.93 8 0.21 0.33 +++ + *++ + peak 1220 Upper QD2 LEU 96 - HB3 GLN 101 5.50 20 0.34 0.38 ++++++++++*+++++++++ peak 4418 Upper HD3 PRO 97 - QG2 ILE 100 3.85 20 0.27 0.28 +++++*++++++++++++++ peak 4395 Upper HA PRO 98 - QG GLN 101 4.51 10 0.20 0.23 +++ + + +++ * + peak 4094 Upper HA GLU 99 - H ALA 102 3.37 20 0.52 0.54 ++++++++++++*+++++++ peak 484 Upper H ILE 100 - QD1 ILE 100 3.11 20 0.34 0.42 ++++++++++++*+++++++ peak 232 Upper H GLN 101 - QG GLN 101 3.66 20 0.30 0.30 ++++++++++++*+++++++ peak 4109 Upper H GLN 101 - HG2 GLN 101 4.26 20 0.26 0.27 ++*+++++++++++++++++ peak 4109 Upper H GLN 101 - QB ALA 102 4.05 20 0.27 0.29 ++*+++++++++++++++++ peak 4140 Upper HB2 GLN 101 - H ALA 102 3.63 20 0.29 0.32 +++*++++++++++++++++ peak 1213 Upper HA ARG 103 - QQG VAL 104 4.08 20 0.52 0.54 ++++++++++*+++++++++ peak 3578 Upper QD ARG 103 - H VAL 104 4.48 19 0.22 0.24 ++ ++++++++++++++*++ peak 3561 Upper HB VAL 104 - H GLN 105 3.45 20 0.54 0.60 +++++++++++++++++*++ peak 1444 Upper QQG VAL 104 - QG ARG 108 4.05 8 0.21 0.66 *+ + + + + ++ peak 4452 Upper QQG VAL 104 - HD2 ARG 108 3.88 9 0.14 0.25 ++++ ++ + * + peak 4457 Upper QB GLN 107 - H LEU 118 4.90 20 0.73 0.91 +++++++++++++++++*++ peak 3622 Upper HA PRO 109 - H GLY 110 3.23 20 0.32 0.34 +++*++++++++++++++++ peak 560 Upper HA PRO 109 - H SER 111 4.08 17 0.23 0.30 ++ +++*+++++ ++++++ peak 553 Upper QB PRO 109 - QB ALA 115 3.60 17 0.32 0.43 ++ ++++++*++ ++++++ peak 1683 Upper HB3 PRO 109 - H ALA 115 3.84 15 0.21 0.29 ++ + ++++*++ +++ ++ peak 1283 Upper H GLY 110 - QG GLU 114 4.49 20 0.32 0.35 +++++++++++++*++++++ peak 1253 Upper H SER 111 - H GLU 114 4.14 11 0.20 0.30 + + +++ +* ++ + + peak 563 Upper HA GLU 113 - H ALA 117 4.49 20 0.40 0.46 +++*++++++++++++++++ peak 575 Upper HG2 GLU 113 - H GLU 114 4.61 20 0.29 0.32 +++++++++++++++++*++ peak 3817 Upper HA GLU 114 - HG3 GLU 114 3.50 20 0.30 0.35 +++++++++++++*++++++ peak 502 Upper QB GLU 114 - H ALA 117 4.29 20 0.28 0.30 +++++++++++++++++*++ peak 1292 Upper QG GLU 114 - QQD LEU 118 3.95 20 0.30 0.36 +++++++++++++++++++* peak 4477 Upper QB ALA 116 - QB GLN 359 3.31 8 0.17 0.36 ++ + ++ +*+ peak 8137 Upper QB ALA 116 - QG GLN 359 3.70 6 0.12 0.44 ++ + + + * peak 1622 Upper H ALA 117 - QG PRO 358 4.55 9 0.20 0.31 ++ + + +* +++ peak 1291 Upper HA LEU 118 - QD1 LEU 118 3.79 16 0.22 0.28 +++* ++ ++++++ +++ + peak 886 Upper HA LEU 118 - QQD LEU 118 2.80 20 0.55 0.58 ++++*+++++++++++++++ peak 4488 Upper H LEU 122 - HB3 LEU 122 3.38 20 0.23 0.24 +++++++*++++++++++++ peak 1327 Upper HA LEU 122 - HG LEU 122 3.34 20 0.22 0.22 ++++++++++++++++++*+ peak 563 Upper HA LEU 122 - QD1 LEU 122 2.98 20 0.52 0.56 ++*+++++++++++++++++ peak 565 VdW CG HIS 51 - C HIS 51 2.90 13 0.21 0.25 ++ ++ + +++ *+ +++ VdW HD1 TYR 52 - HD3 PRO 397 2.00 12 0.15 0.27 ++ +++ + +++ + *+ VdW HD2 TYR 52 - HD3 PRO 397 2.00 8 0.10 0.28 + ++ + ++* + VdW OG1 THR 56 - CG GLU 60 2.90 15 0.19 0.24 +++++*++ + +++ + ++ VdW H GLN 64 - HG2 GLN 64 1.95 8 0.12 0.29 ++ + +++ + * VdW O GLN 64 - HG LEU 68 2.30 10 0.20 0.24 +++ * + ++ + + + VdW SG CYS 69 - C CYS 69 3.10 14 0.20 0.30 +++ + ++ *++++ +++ VdW HA PRO 75 - CE MET 83 2.60 14 0.24 0.36 ++ + + + + ++++++*+ VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.23 0.24 +++++++++++++*++++++ VdW O PRO 97 - CB GLN 101 2.90 20 0.27 0.31 ++++++++++++*+++++++ VdW O GLN 107 - C ARG 108 2.80 17 0.26 0.48 ++ +++++++++*+++ ++ VdW CB PRO 109 - HB2 GLU 114 2.60 20 0.33 0.37 ++++++++++++*+++++++ VdW HB2 PRO 109 - HB2 GLU 114 2.00 9 0.20 0.25 + + + + + ++* + VdW CA LEU 122 - CD2 LEU 122 3.00 19 0.21 0.22 +++++* +++++++++++++ VdW SG CYS 369 - C CYS 369 3.10 14 0.19 0.30 ++ +++++ ++*+ +++ VdW SG CYS 369 - N ARG 370 3.25 13 0.21 0.36 +++ +*+ +++++ ++ VdW CG TRP 372 - C TRP 372 2.90 12 0.16 0.23 +++ ++ +*+ ++ ++ VdW CD1 TRP 372 - C TRP 372 3.10 14 0.23 0.38 ++++*++ ++ +++ ++ VdW HG LEU 373 - C LEU 373 2.50 6 0.12 0.42 + + ++* + VdW O LEU 373 - C ARG 374 2.80 15 0.32 0.48 +*+ ++++ + +++ ++++ Angle PHI TYR 52 -106.00 -68.00 7 4.89 7.58 + +++ * + + Angle PSI THR 56 -15.00 15.00 10 5.72 10.33 + + +* + +++ ++ Angle PSI SER 79 155.00 175.00 7 4.04 6.35 ++ + +* + + Angle PSI PRO 98 -46.00 -28.00 8 4.87 5.75 + * + + +++ + Angle PHI GLU 99 -76.00 -56.00 20 9.58 10.79 ++++*+++++++++++++++ Angle PHI VAL 104 -77.00 -57.00 8 5.27 7.60 +++++ +*+ Angle PHI GLY 110 58.00 92.00 17 6.12 7.77 ++ ++++++*++ ++++++ Angle PHI ALA 115 -76.00 -56.00 15 5.70 6.68 ++ +++++++ + +*+ ++ Angle PHI ILE 400 -73.00 -53.00 8 4.86 5.59 + ++ ++ +* + 155 violated distance constraints. 9 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.35 +/- 0.16 A (0.17..0.86 A; 20 structures) Average heavy atom RMSD to mean : 0.78 +/- 0.09 A (0.59..1.02 A; 20 structures)