Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 122.44 44 71.9 2.03 90 63.3 0.66 58 1114.8 67.84 2 123.22 56 86.3 1.82 84 67.7 0.59 49 1007.1 34.85 3 123.59 48 88.1 1.87 83 58.7 0.69 60 1144.7 53.81 4 124.17 51 84.8 1.76 83 65.7 0.78 57 993.3 42.49 5 125.46 56 84.7 1.94 103 71.0 0.76 53 878.6 51.56 6 128.08 47 77.2 1.81 102 66.9 0.71 64 1212.3 50.26 7 128.91 43 77.7 1.99 106 70.9 0.56 45 998.0 63.77 8 129.20 57 88.4 2.01 95 68.0 0.58 60 1105.0 44.69 9 130.18 44 85.0 1.96 92 64.6 0.67 65 1192.8 61.10 10 131.19 55 86.5 2.21 98 68.6 0.71 51 1012.6 47.86 11 132.64 58 79.9 2.43 105 65.0 0.62 59 1066.1 71.75 12 136.59 59 91.5 1.71 109 73.8 0.69 63 1065.4 57.36 13 137.54 52 87.2 1.82 93 68.7 0.83 61 1133.1 47.52 14 137.19 50 79.8 2.01 114 74.2 0.65 53 1044.3 65.50 15 138.17 54 92.9 2.08 91 69.4 0.62 64 1110.7 46.43 16 139.35 60 98.2 1.92 98 67.9 0.66 61 1060.4 41.25 17 141.46 59 91.3 1.64 110 77.0 0.62 58 1093.6 56.68 18 141.87 48 89.2 2.32 104 73.0 0.65 64 1218.7 55.38 19 143.00 62 93.9 2.00 97 68.1 0.65 65 1108.8 62.95 20 143.28 53 91.1 2.25 120 82.1 0.76 56 1054.5 53.52 Ave 132.88 53 86.3 1.98 99 69.2 0.67 58 1080.8 53.83 +/- 6.97 6 6.3 0.20 10 5.0 0.07 6 79.9 9.46 Min 122.44 43 71.9 1.64 83 58.7 0.56 45 878.6 34.85 Max 143.28 62 98.2 2.43 120 82.1 0.83 65 1218.7 71.75 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.60 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper QG1 VAL 47 - HE3 TRP 51 5.13 6 0.51 1.94 + * + + + + # peak 101 # SUP 1.25 QG2 VAL 47 - HE3 TRP 51 # SUP 1.67 Upper HE22 GLN 102 - QB ALA 103 4.38 6 0.37 1.29 + + * + ++ # peak 165 # SUP 1.26 QD PHE 34 - QB ALA 103 # SUP 1.26 QE PHE 34 - QB ALA 103 # SUP 0.96 HZ PHE 34 - QB ALA 103 # SUP 0.99 Upper HA VAL 73 - HN VAL 94 4.34 8 0.61 2.25 + + ++++ + * # peak 287 # SUP 6.31 HN LEU 67 - HA VAL 73 # SUP 2.06 HA VAL 73 - HN VAL 105 # SUP 0.92 Upper HA ILE 68 - HA VAL 73 5.50 9 0.47 1.40 + + + +++ *++ # peak 293 # SUP 2.80 Upper HA ASN 89 - QB ALA 103 4.21 6 0.41 1.27 + +* ++ + # peak 719 # SUP 4.10 HA VAL 73 - QB ALA 103 # SUP 0.68 HA LEU 17 - QB ALA 103 # SUP 0.21 Upper QG2 ILE 29 - HB ILE 48 5.50 6 0.32 0.98 * + + + + + # peak 905 # SUP 1.10 HG12 ILE 29 - HB ILE 48 # SUP 2.30 QG2 ILE 29 - HB3 GLU- 50 # SUP 0.10 HG12 ILE 29 - HB3 GLU- 50 # SUP 0.31 Upper QG2 ILE 48 - HB3 LEU 67 5.22 13 0.66 1.34 ++++++ +++ *++ + # peak 955 # SUP 2.42 QG2 ILE 48 - HG LEU 74 # SUP 0.75 Upper HA GLU- 56 - HA1 GLY 58 5.50 9 0.57 1.25 * ++++ ++ + + # peak 972 # SUP 3.26 Upper QD1 ILE 48 - HB3 LEU 67 4.33 19 1.22 1.97 +++++++ ++*+++++++++ # peak 1153 # SUP 2.39 QD1 ILE 48 - HG LEU 74 # SUP 0.48 Upper HA ASN 89 - HA ALA 91 5.50 20 1.42 1.69 ++++++++++*+++++++++ # peak 1245 # SUP 2.86 Upper HA LEU 43 - HB ILE 68 5.50 6 0.47 1.46 + +++ + * # peak 1679 # SUP 2.87 HA LYS+ 44 - HB ILE 68 # SUP 3.92 Upper HA ILE 48 - HG3 GLU- 56 5.50 7 0.53 1.31 ++ ++ *+ + # peak 1819 # SUP 1.59 HA LYS+ 44 - HG3 GLU- 56 # SUP 0.88 Upper HN LYS+ 60 - HB2 LYS+ 66 5.50 8 0.66 1.73 ++++ + + *+ # peak 1911 # SUP 1.21 HN ASN 57 - HB2 LYS+ 66 # SUP 0.53 Upper HA ASN 89 - HG3 GLN 102 5.50 11 0.56 1.39 + *++++++ + ++ # peak 1940 # SUP 3.41 Upper HG3 ARG+ 84 - HA SER 85 5.50 7 0.46 0.87 ++ + + + + * # peak 2535 # SUP 1.06 HG3 ARG+ 84 - HA ASN 89 # SUP 0.93 HG3 ARG+ 84 - HA THR 106 # SUP 0.25 HA VAL 73 - HG3 ARG+ 84 # SUP 0.33 Upper HG LEU 74 - HB3 MET 97 4.07 12 0.90 2.43 + +++ *++ +++++ # peak 2571 # SUP 4.47 HG LEU 74 - HB VAL 99 # SUP 3.82 HG LEU 74 - HG3 ARG+ 84 # SUP 1.26 HG3 ARG+ 84 - HG LEU 90 # SUP 0.26 Upper HN LEU 43 - QD2 LEU 74 5.41 9 0.50 2.01 + + +*+++ + + # peak 2670 # SUP 1.53 Upper HB2 SER 69 - QD2 LEU 74 4.94 6 0.40 1.07 * + +++ + # peak 2673 # SUP 1.22 QD2 LEU 74 - HA ASN 89 # SUP 0.59 HA1 GLY 71 - QD2 LEU 74 # SUP 0.02 HA VAL 62 - QD2 LEU 74 # SUP 0.02 HD3 PRO 31 - QD2 LEU 74 # SUP 0.02 QD2 LEU 74 - HA VAL 80 # SUP 0.02 Upper QD1 ILE 19 - HG2 PRO 31 5.50 6 0.43 1.22 + + ++ + * # peak 2706 # SUP 1.59 HG12 ILE 19 - HG2 PRO 31 # SUP 0.39 Upper HG3 MET 97 - QD1 ILE 100 5.50 8 0.40 1.06 + ++ + + + * + # peak 3310 # SUP 0.67 HA1 GLY 58 - QD1 ILE 100 # SUP 0.46 HE3 LYS+ 60 - QD1 ILE 100 # SUP 0.14 Upper HB2 LEU 67 - HB ILE 68 5.50 9 0.49 0.88 + *++ + ++ + + # peak 3333 # SUP 4.95 HB ILE 68 - HG12 ILE 101 # SUP 0.72 Upper HA LYS+ 60 - HB THR 61 3.85 11 0.62 1.17 + + ++ + ++*++ + # peak 3343 # SUP 2.61 HA ASN 57 - HB THR 61 # SUP 0.49 Upper HG12 ILE 19 - HA ASN 89 5.50 7 0.48 1.76 +++ + * ++ # peak 3470 # SUP 2.99 HG12 ILE 19 - HB THR 95 # SUP 0.33 Upper HG13 ILE 19 - HA ASN 89 5.50 9 0.48 1.17 +++ + +++ +* # peak 3475 # SUP 3.55 HG13 ILE 19 - HA VAL 73 # SUP 0.83 HG13 ILE 19 - HB2 SER 88 # SUP 0.50 Upper HA1 GLY 58 - HB VAL 62 3.73 7 0.49 1.76 + + ++ * + + # peak 3580 # SUP 1.31 HB VAL 62 - HB VAL 65 # SUP 0.19 HB2 GLU- 45 - HB VAL 62 # SUP 0.10 HB2 LEU 43 - HB VAL 62 # SUP 0.10 HG3 ARG+ 53 - HB VAL 62 # SUP 0.02 HB VAL 62 - HB3 GLU- 75 # SUP 0.02 Upper HD3 PRO 31 - HB3 LEU 43 5.50 10 0.67 1.65 + + ++ ++* ++ + # peak 3726 # SUP 0.98 HB3 LEU 43 - HB3 SER 69 # SUP 1.27 HB2 LEU 43 - HB3 SER 69 # SUP 1.21 HA1 GLY 30 - HB2 LEU 43 # SUP 0.96 HD3 PRO 31 - HB2 LEU 43 # SUP 0.62 HA1 GLY 30 - HB3 LEU 43 # SUP 0.76 Upper HA ILE 68 - QB ALA 70 5.50 8 0.49 1.22 ++ ++ ++ +* # peak 3811 # SUP 1.25 Upper HG12 ILE 29 - HN ILE 48 5.50 10 0.43 1.08 ++ + + +++ +* + # peak 3815 # SUP 1.51 QG2 ILE 29 - HN ILE 48 # SUP 0.75 Upper QD PHE 21 - HB3 ARG+ 22 5.25 6 0.44 1.12 ++ ++ + * # peak 302 # SUP 2.24 Upper HA GLU- 64 - HN LYS+ 66 3.77 15 0.76 1.42 +++ +++ +*+ ++++++ # peak 23 # SUP 0.90 HA LYS+ 44 - HN LYS+ 66 # SUP 0.10 Upper HB3 GLU- 75 - HN ILE 101 4.18 7 0.43 2.03 * + + + + + + # peak 51 # SUP 3.43 HB2 LEU 43 - HN ILE 101 # SUP 1.15 Upper HN MET 97 - HA HIS+ 98 4.17 16 1.06 1.81 +++++* ++++++++++ # peak 71 # SUP 1.69 Upper HA VAL 73 - HN THR 95 3.46 15 0.92 1.96 ++++++ *+++ ++++ + # peak 91 # SUP 5.37 HA ASN 89 - HN THR 95 # SUP 3.31 HA GLU- 75 - HN THR 95 # SUP 0.37 Upper HG12 ILE 19 - HN HIS+ 98 5.50 6 0.38 1.68 ++ + * ++ # peak 184 # SUP 1.52 QD1 ILE 19 - HN HIS+ 98 # SUP 0.74 QG2 VAL 94 - HN HIS+ 98 # SUP 0.24 HB2 LEU 9 - HN HIS+ 98 # SUP 0.02 Upper HA VAL 73 - HN THR 96 3.38 15 0.98 1.96 ++ ++ *+++++++++ + # peak 185 # SUP 3.68 HA SER 88 - HN THR 96 # SUP 0.95 HA ASN 89 - HN THR 96 # SUP 2.42 HN LEU 17 - HA ASN 89 # SUP 2.96 Upper HN THR 96 - HB3 MET 97 5.14 10 0.59 1.40 + ++ + +++ + * + # peak 191 # SUP 2.98 Upper HN VAL 73 - HB2 GLU- 75 3.65 14 1.02 2.32 +++ + +++ ++++*++ # peak 218 # SUP 0.56 HN VAL 73 - HG3 PRO 104 # SUP 0.75 HG3 PRO 31 - HN VAL 73 # SUP 0.28 HN VAL 73 - HG2 PRO 112 # SUP 0.02 Upper HN VAL 73 - HA ASN 89 5.45 12 0.86 1.99 + +++ *+ + ++ + ++ # peak 222 # SUP 1.12 HA PRO 31 - HN VAL 73 # SUP 0.37 HA2 GLY 30 - HN VAL 73 # SUP 0.39 Upper HA GLN 16 - HN GLU- 18 4.72 7 0.42 0.91 +++ * + + + # peak 246 # SUP 3.14 HN GLU- 18 - HA ASN 89 # SUP 5.58 HN GLU- 10 - HA GLN 16 # SUP 0.31 HA ASN 89 - HN GLU- 107 # SUP 0.50 Upper HN LEU 67 - HG LEU 74 4.88 11 0.70 1.74 +++ + + ++++*+ # peak 279 # SUP 4.73 Upper HN PHE 21 - HA2 GLY 30 4.05 6 0.40 1.56 + + + ++* # peak 312 # SUP 1.56 HN PHE 21 - HA PRO 31 # SUP 1.67 Upper HD3 LYS+ 32 - HN LYS+ 55 4.48 8 0.50 1.26 ++ *+ ++++ # peak 420 # SUP 1.09 HN LYS+ 55 - HG3 LYS+ 60 # SUP 0.68 HB3 LYS+ 32 - HN LYS+ 55 # SUP 1.18 HG LEU 23 - HN LYS+ 55 # SUP 0.02 Upper HN LYS+ 72 - QG2 VAL 94 4.17 7 0.50 1.48 + ++* + + + # peak 445 # SUP 2.57 Upper HN ILE 68 - HG LEU 74 4.68 9 0.58 1.92 + + ++ + + ++ * # peak 458 # SUP 4.17 Upper HN ILE 68 - HN ALA 70 4.86 9 0.48 1.40 +++ * + + + ++ # peak 460 # SUP 0.99 HN ILE 68 - HN HIS+ 98 # SUP 0.02 Upper HB2 PHE 21 - HN ILE 29 4.80 7 0.47 1.57 ++ + * ++ + # peak 505 # SUP 2.19 Upper QB ALA 91 - HN VAL 94 4.12 15 0.88 1.62 +++ + +++++++++ *+ # peak 506 # SUP 1.07 HG LEU 74 - HN VAL 94 # SUP 2.07 HG13 ILE 19 - HN VAL 94 # SUP 0.31 Upper QB ALA 91 - HN VAL 94 4.41 11 0.59 1.33 + + ++++ + ++ *+ # peak 517 # SUP 1.07 HG LEU 74 - HN VAL 94 # SUP 2.07 HG13 ILE 19 - HN VAL 94 # SUP 0.31 HD3 LYS+ 20 - HN VAL 94 # SUP 0.15 Upper HN VAL 99 - HG2 GLN 102 4.05 12 0.82 1.70 ++*++ + +++ ++ + # peak 536 # SUP 0.76 HG3 GLN 16 - HN VAL 99 # SUP 0.43 HG2 GLN 16 - HN VAL 99 # SUP 0.43 HB3 GLU- 75 - HN VAL 99 # SUP 0.09 HA1 GLY 58 - HN VAL 99 # SUP 0.35 HB2 ASP- 82 - HN VAL 99 # SUP 0.02 Upper HN VAL 99 - QD1 ILE 101 5.17 12 0.63 2.08 ++++ + + ++ *+++ # peak 541 # SUP 1.14 QD1 LEU 23 - HN VAL 99 # SUP 0.02 Upper HA ASN 76 - HN VAL 80 3.99 14 1.00 2.01 ++ +++ ++++ +*+++ # peak 660 # SUP 0.75 HA SER 77 - HN VAL 80 # SUP 0.79 Upper HN LYS+ 81 - HG3 ARG+ 84 3.61 6 0.46 0.97 + + + * ++ # peak 718 # SUP 2.60 HG3 ARG+ 84 - HN THR 106 # SUP 0.74 Upper HA ASN 89 - HN THR 106 4.43 13 0.72 1.38 ++ +*+ ++++++ ++ # peak 721 # SUP 2.79 HA ASN 76 - HN LYS+ 81 # SUP 1.01 HA ALA 103 - HN THR 106 # SUP 0.53 HA SER 77 - HN LYS+ 81 # SUP 1.08 Upper HN SER 27 - HA ILE 48 4.31 8 0.51 1.09 ++ ++* + + + # peak 817 # SUP 3.34 HN SER 27 - HA LYS+ 44 # SUP 0.43 Upper HN VAL 87 - HB2 SER 88 4.01 12 0.57 1.07 +* + ++ + ++ +++ + # peak 871 # SUP 3.74 HN VAL 87 - HA ASN 89 # SUP 4.09 Upper HN GLY 30 - HN LYS+ 32 5.50 9 0.54 1.38 ++ ++ + ++* + # peak 919 # SUP 1.24 Upper HN ASN 57 - HA1 GLY 58 4.53 6 0.37 0.73 ++ + + + * # peak 942 # SUP 4.07 Upper HB3 GLU- 75 - HE22 GLN 102 5.09 8 0.46 1.31 + * +++ + ++ # peak 1006 # SUP 2.72 HB2 LEU 43 - HE22 GLN 102 # SUP 0.29 HB3 LEU 43 - HE22 GLN 102 # SUP 0.29 Upper HA ASN 89 - HN GLY 92 3.61 8 0.68 1.90 + ++++ + + * # peak 1017 # SUP 2.97 HA VAL 73 - HN GLY 92 # SUP 0.37 Upper HN GLY 26 - HA ILE 48 3.82 9 0.59 1.85 + + ++ + *+ + + # peak 1029 # SUP 2.43 Upper HN THR 61 - HG2 GLU- 64 4.68 7 0.36 1.12 + + ++ ++ * # peak 1039 # SUP 0.54 HN THR 61 - HB VAL 62 # SUP 2.41 HB3 GLU- 45 - HN THR 61 # SUP 0.02 Upper QD1 ILE 48 - HN THR 61 4.70 7 0.48 1.38 + + *++ + + # peak 1044 # SUP 2.83 HG13 ILE 48 - HN THR 61 # SUP 1.33 HG12 ILE 48 - HN THR 61 # SUP 1.16 Upper HE1 TRP 51 - HN GLY 58 4.86 7 0.45 1.29 ++ * ++ ++ # peak 1066 # SUP 1.82 Angle PSI LEU 17 116.00 146.00 13 7.72 20.09 ++ +++ ++*++ +++ Angle PHI ILE 19 239.00 273.00 14 8.08 22.57 +++++ +*+ + +++++ Angle PSI ILE 19 124.00 144.00 11 8.17 31.69 ++ + +++++ +* + Angle PHI LYS+ 20 204.00 242.00 10 8.31 41.69 *+++ + ++ +++ Angle PSI LYS+ 20 128.00 162.00 8 9.49 38.65 + + + ++ +*+ Angle PHI PHE 21 237.00 261.00 8 9.08 56.68 + + ++ ++* + Angle PSI PHE 21 106.00 132.00 12 8.32 40.98 ++++ + +++ *+ ++ Angle PHI ARG+ 22 225.00 267.00 10 7.85 40.05 + * +++ + +++ + Angle PSI ARG+ 22 107.00 141.00 7 4.90 18.74 * + + + ++ + Angle PHI THR 24 276.00 298.00 12 8.03 21.55 ++*++ + ++ + +++ Angle PSI THR 24 313.00 345.00 6 4.18 21.98 + + + ++ * Angle PHI ASP- 25 248.00 276.00 13 7.10 20.84 + + + + +++ *+++++ Angle PSI ASP- 25 359.00 25.00 11 6.00 20.94 + ++++ + +++ * + Angle PHI ASP- 28 210.00 256.00 6 3.67 15.53 * + ++++ Angle PSI ASP- 28 127.00 157.00 10 10.44 25.40 ++ + *+ +++ ++ Angle PSI ILE 29 109.00 149.00 12 6.73 19.51 ++ ++ *+ ++++ + + Angle PSI PRO 31 128.00 150.00 17 13.47 37.33 ++ +*++++++++++++ + Angle PHI LYS+ 32 205.00 253.00 6 5.57 22.18 + +* +++ Angle PSI LYS+ 32 137.00 157.00 12 8.38 31.18 + ++ + ++ ++*+++ Angle PHI ALA 33 246.00 278.00 9 5.87 30.33 + ++ + *+ + ++ Angle PSI ALA 33 120.00 148.00 7 4.46 31.85 *+ + + ++ + Angle PSI PHE 34 116.00 164.00 7 2.29 5.92 *++ + + + + Angle PSI THR 38 113.00 153.00 9 4.42 11.02 + * +++ + +++ Angle PHI VAL 40 282.00 302.00 11 5.21 14.80 ++ + +*+++ ++ + Angle PHI SER 41 281.00 301.00 8 6.15 26.10 + +* + + + ++ Angle PSI SER 41 309.00 329.00 6 4.27 22.87 + + + + *+ Angle PHI ALA 42 282.00 302.00 7 4.46 25.10 * ++ + ++ + Angle PSI ALA 42 314.00 334.00 9 4.89 11.47 + + + ++ +++* Angle PSI LEU 43 314.00 338.00 13 9.88 39.84 ++++ + ++ +*+++ + Angle PHI LYS+ 44 263.00 301.00 6 6.07 30.35 + + + + + * Angle PSI LYS+ 44 314.00 10.00 11 11.49 54.46 ++++ +++ *+ + + Angle PHI GLU- 45 283.00 303.00 15 13.98 39.29 +++ +++ *++++++++ Angle PSI GLU- 45 311.00 337.00 16 14.33 43.77 + ++*+ +++ ++ ++++++ Angle PHI THR 46 286.00 306.00 13 11.39 32.77 +++++ ++ *++ ++ + Angle PSI THR 46 307.00 333.00 10 10.04 41.07 + + ++ ++* + ++ Angle PHI VAL 47 286.00 306.00 11 12.26 47.52 + ++ + + +* ++++ Angle PSI VAL 47 304.00 324.00 10 9.10 31.98 *+++ + +++ + + Angle PHI ILE 48 291.00 311.00 12 8.47 25.56 +++*+ ++ +++++ Angle PHI TRP 51 251.00 281.00 10 5.58 16.11 + ++ * + ++ + ++ Angle PSI TRP 51 110.00 138.00 14 14.62 31.41 ++ + +++ +*++++++ Angle PHI ARG+ 53 285.00 305.00 13 6.64 18.93 +*+ + +++ +++++ + Angle PSI ARG+ 53 314.00 334.00 19 31.59 57.10 +++++++++ *+++++++++ Angle PHI GLU- 54 256.00 286.00 20 21.41 50.61 ++++++++++*+++++++++ Angle PSI GLU- 54 331.00 13.00 15 9.90 24.47 *+++ ++ +++ ++++++ Angle PHI THR 61 232.00 276.00 17 15.00 34.85 + +++++++++*++++++ Angle PSI THR 61 147.00 175.00 7 7.58 51.56 + +* + ++ + Angle PHI VAL 62 289.00 309.00 8 6.14 28.34 +* ++ ++ + + Angle PSI VAL 62 316.00 336.00 9 5.32 16.19 +++ * + + +++ Angle PHI VAL 65 225.00 259.00 7 4.69 15.09 *++ + + + + Angle PSI VAL 65 92.00 130.00 15 11.22 23.45 + +++++ + +* ++++++ Angle PHI LYS+ 66 235.00 281.00 9 5.85 19.77 +++ + + + + * + Angle PSI LYS+ 66 118.00 152.00 10 10.55 36.49 + +++ + * ++ ++ Angle PHI LEU 67 223.00 259.00 18 21.74 45.05 +++++++++ *++++++++ Angle PSI LEU 67 135.00 155.00 12 12.18 49.93 *+ +++ ++ + ++++ Angle PHI ILE 68 227.00 253.00 13 12.03 33.47 + ++++++ + + +++* Angle PSI ILE 68 110.00 146.00 8 3.16 11.34 + ++ +*+ + + Angle PSI SER 69 110.00 134.00 19 13.33 22.31 +++++++++++++ ++*+++ Angle PHI LYS+ 72 235.00 261.00 14 9.86 21.51 + +++ *+++++++++ Angle PSI LYS+ 72 116.00 150.00 15 10.59 28.12 +++++* ++ +++++ ++ Angle PHI VAL 73 244.00 278.00 12 17.94 50.94 ++++ + ++ + +++ * Angle PSI VAL 73 107.00 137.00 11 9.31 28.49 ++ ++ ++* ++ ++ Angle PSI ASN 76 320.00 344.00 9 4.83 27.73 ++ *+++ + ++ Angle PHI THR 79 222.00 272.00 15 7.57 29.87 ++++++ *+++ ++ + ++ Angle PSI THR 79 148.00 174.00 18 17.72 37.00 ++++++ ++++ +++*++++ Angle PHI VAL 80 284.00 304.00 7 4.30 16.91 + *+ + + ++ Angle PSI ARG+ 84 118.00 162.00 6 4.21 20.26 + *++++ Angle PHI LEU 90 254.00 298.00 17 11.53 20.47 +++++ + ++++++++++* Angle PSI LEU 90 119.00 151.00 20 22.10 32.24 +*++++++++++++++++++ Angle PHI GLY 92 77.00 97.00 6 5.52 25.97 + + + + + * Angle PSI GLY 92 349.00 11.00 7 4.41 13.31 + + ++ + *+ Angle PHI ALA 93 251.00 297.00 12 10.04 32.12 +++ ++ + + +++* + Angle PSI ALA 93 109.00 151.00 14 17.46 71.75 +++ ++ *+++++ +++ Angle PHI VAL 94 245.00 279.00 12 13.88 61.10 + + +++* + ++ + + + Angle PSI VAL 94 119.00 147.00 10 8.75 31.67 ++ ++++*++ + Angle PHI THR 95 219.00 273.00 7 6.33 29.03 * + + + +++ Angle PSI THR 95 113.00 139.00 16 26.36 51.03 * ++++++++++++++ + Angle PHI THR 96 246.00 294.00 17 21.23 42.14 + ++*++ +++++++++ ++ Angle PSI THR 96 116.00 146.00 20 29.13 47.86 +++++++++*++++++++++ Angle PHI MET 97 248.00 292.00 18 25.77 55.55 ++ + +++*+++++++++++ Angle PSI MET 97 120.00 166.00 17 18.88 38.63 ++ +++ *++++++++++ + Angle PHI HIS+ 98 248.00 288.00 15 13.35 35.05 ++++*+ ++++ + + + ++ Angle PSI HIS+ 98 121.00 149.00 20 29.42 63.40 +++++++++++++*++++++ Angle PHI VAL 99 242.00 268.00 19 31.46 65.50 ++++ ++++++++*++++++ Angle PSI VAL 99 121.00 143.00 19 27.18 60.27 +++++*+++++++++++++ Angle PHI ILE 100 227.00 273.00 18 22.19 46.43 +++++++ +++++*+++++ Angle PSI ILE 100 113.00 143.00 16 26.98 60.93 * ++ +++++++ +++ +++ Angle PHI ILE 101 252.00 274.00 16 25.39 67.84 *+++ +++++ + +++ +++ Angle PSI ILE 101 107.00 131.00 12 11.39 34.16 * +++ + +++++ ++ Angle PHI GLN 102 231.00 287.00 8 6.14 30.73 + + *++ + + + Angle PSI GLN 102 122.00 152.00 11 10.23 27.77 + + + +++ +*+++ Angle PHI VAL 105 255.00 287.00 12 4.98 10.66 +*++ +++ ++ + + + Angle PSI VAL 105 109.00 151.00 12 6.66 15.51 ++ ++* +++++ ++ 63 violated distance constraints. 92 violated angle constraints. RMSDs for residues 20..123: Average backbone RMSD to mean : 5.85 +/- 1.09 A (4.17..8.79 A) Average heavy atom RMSD to mean : 6.37 +/- 0.96 A (4.84..8.76 A)