Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 93.49 45 68.7 2.10 79 56.9 0.69 48 762.4 48.88 2 94.42 42 68.6 1.89 78 56.1 0.69 56 826.2 38.76 3 99.47 46 72.9 1.60 84 60.0 0.54 56 907.4 41.96 4 100.77 49 74.0 1.52 90 61.1 0.63 53 879.0 40.47 5 107.12 41 74.7 1.65 67 58.8 0.87 52 891.9 42.00 6 107.29 54 81.0 1.73 80 61.6 0.51 46 772.2 38.29 7 107.37 46 72.2 1.97 82 57.8 0.49 58 970.7 42.03 8 108.65 47 77.3 2.02 84 59.8 0.68 55 916.4 43.08 9 108.93 45 71.4 2.33 95 62.0 0.66 55 874.7 48.04 10 111.63 47 72.0 2.06 95 65.0 0.72 55 950.8 49.04 11 112.68 44 74.0 2.00 92 66.5 0.63 56 909.7 49.57 12 112.95 51 81.7 1.77 97 65.3 0.54 65 946.8 41.99 13 116.98 48 77.9 2.22 111 70.6 0.82 56 808.2 47.06 14 119.14 66 85.4 1.76 102 66.5 0.59 51 798.4 35.84 15 121.69 42 74.5 2.14 102 68.1 0.73 60 1059.6 44.86 16 122.38 47 80.4 1.61 90 66.6 0.69 58 1056.3 45.07 17 122.69 45 76.7 1.98 108 66.8 0.75 60 1021.1 47.05 18 122.79 45 70.2 2.37 116 68.2 0.76 55 939.8 50.84 19 127.39 51 81.3 2.17 97 66.7 0.72 60 997.9 69.35 20 127.70 60 88.8 1.96 127 75.3 0.63 55 844.4 47.35 Ave 112.28 48 76.2 1.94 94 64.0 0.67 56 906.7 45.58 +/- 10.04 6 5.4 0.24 14 4.9 0.10 4 86.2 6.80 Min 93.49 41 68.6 1.52 67 56.1 0.49 46 762.4 35.84 Max 127.70 66 88.8 2.37 127 75.3 0.87 65 1059.6 69.35 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 HA ILE 48 - QD1 LEU 74 5.50 19 1.40 2.02 +++++++*+++++++++ ++ # peak 40 # SUP 0.55 Upper HA PRO 104 - HN GLU- 107 4.67 20 1.04 1.10 +*++++++++++++++++++ # peak 95 # SUP 0.86 HN ARG+ 53 - HA PRO 104 # SUP 1.23 Upper HA LEU 43 - QD1 LEU 74 5.50 6 0.27 1.13 + + ++ + * # peak 119 # SUP 1.50 HA ILE 48 - QD1 LEU 74 # SUP 0.55 Upper QG2 VAL 94 - HB THR 96 4.70 9 0.47 1.50 + + ++ + + *+ + # peak 190 # SUP 1.94 Upper HN VAL 94 - HA THR 95 4.24 14 0.81 1.25 ++*+++++ + ++ + ++ # peak 287 # SUP 2.07 Upper HA VAL 73 - QD1 ILE 101 5.50 11 0.69 2.37 ++ + ++ ++ + +*+ # peak 427 # SUP 2.39 HA VAL 73 - HG13 ILE 101 # SUP 2.33 Upper HB2 GLN 16 - QB ALA 33 5.50 13 0.70 1.72 +++ +++++ * + + ++ # peak 572 # SUP 1.64 Upper QB ALA 33 - QG2 VAL 40 5.50 6 0.51 1.54 + + *+ + + # peak 582 # SUP 0.71 QB ALA 33 - QD1 ILE 68 # SUP 0.02 QB ALA 33 - HG3 LYS+ 66 # SUP 0.02 Upper HA VAL 73 - QG2 ILE 101 5.28 8 0.46 1.73 ++ * ++ + + + # peak 760 # SUP 3.92 HA LYS+ 44 - QG2 ILE 101 # SUP 0.48 HD2 PRO 59 - QG2 ILE 101 # SUP 0.52 Upper HA ARG+ 53 - HB3 GLU- 54 4.51 13 0.60 1.29 + ++++++ +++*+ + # peak 938 # SUP 2.31 HA ARG+ 53 - HD3 LYS+ 63 # SUP 0.96 HA ARG+ 53 - HB3 GLN 102 # SUP 0.12 Upper HA LEU 43 - HB ILE 68 5.50 8 0.49 1.69 + ++ * + ++ + # peak 941 # SUP 2.88 HA LEU 43 - HG LEU 74 # SUP 5.00 HA LEU 43 - HB2 LEU 74 # SUP 1.71 Upper QD1 ILE 19 - QE PHE 34 4.96 6 0.29 1.27 + + + *+ + # peak 1108 # SUP 4.34 QD1 ILE 19 - QD PHE 34 # SUP 4.86 QD1 ILE 19 - HZ PHE 34 # SUP 2.63 Upper QD1 ILE 19 - HB3 MET 97 4.05 6 0.43 1.22 *+ + + + + # peak 1114 # SUP 3.34 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.38 Upper HA1 GLY 30 - HA ILE 68 5.50 12 0.68 1.45 + +++++ +++ ++ * # peak 1455 # SUP 2.04 Upper HA LEU 43 - HB ILE 68 5.50 7 0.59 1.74 ++ ++ + *+ # peak 1679 # SUP 2.88 HA LYS+ 44 - HB ILE 68 # SUP 1.52 Upper HG3 GLU- 45 - QG2 VAL 62 5.15 8 0.51 1.17 + + + +*++ + # peak 1847 # SUP 1.88 HG3 GLU- 45 - HG LEU 74 # SUP 2.11 HG2 GLU- 45 - QG2 VAL 62 # SUP 2.07 HG2 GLU- 45 - HG LEU 74 # SUP 2.14 QG2 ILE 29 - HG3 GLU- 45 # SUP 1.03 QG2 ILE 29 - HG2 GLU- 45 # SUP 0.98 HG12 ILE 29 - HG3 GLU- 45 # SUP 0.33 Upper HB3 PRO 31 - HA ILE 68 5.50 8 0.58 1.77 + + + + +* + + # peak 1893 # SUP 2.16 Upper HN LYS+ 60 - HB2 LYS+ 66 5.50 7 0.41 1.06 ++ ++ + * + # peak 1911 # SUP 1.30 HN ASN 57 - HB2 LYS+ 66 # SUP 0.66 Upper HB3 LYS+ 55 - HB3 LYS+ 63 3.87 6 0.37 0.90 + + + + +* # peak 2054 # SUP 1.54 HB3 ARG+ 53 - HB3 LYS+ 55 # SUP 0.99 Upper HB2 GLU- 45 - HB2 GLU- 50 4.47 6 0.45 1.25 + + + + +* # peak 2325 # SUP 3.64 HB3 GLU- 45 - HB2 GLU- 50 # SUP 4.93 HB2 LYS+ 44 - HB2 GLU- 50 # SUP 1.35 Upper HN LEU 43 - QD2 LEU 74 5.28 6 0.47 1.79 * + + + + + # peak 2670 # SUP 1.58 Upper HA LEU 43 - QD2 LEU 74 5.31 7 0.40 1.15 *+ + ++ ++ # peak 2672 # SUP 4.17 HA ILE 48 - QD2 LEU 74 # SUP 0.75 Upper HA VAL 62 - HG3 LYS+ 66 5.05 6 0.43 1.48 * + + ++ + # peak 2705 # SUP 0.75 QG2 ILE 48 - HA VAL 62 # SUP 0.75 QG2 VAL 40 - HA VAL 62 # SUP 0.02 HA VAL 62 - QG2 ILE 101 # SUP 0.02 Upper QD1 ILE 48 - HA VAL 62 5.16 7 0.44 2.17 + + ++ + +* # peak 2813 # SUP 4.37 HG12 ILE 48 - HA VAL 62 # SUP 1.33 Upper HA LYS+ 60 - HB THR 61 3.75 18 0.92 1.35 +++ +++++*++ +++++++ # peak 3343 # SUP 2.30 Upper HG12 ILE 48 - HB3 LEU 67 4.88 6 0.39 1.00 + + + +* + # peak 3346 # SUP 1.82 HG13 ILE 48 - HB3 LEU 67 # SUP 2.55 HG12 ILE 48 - HG LEU 74 # SUP 1.54 HG13 ILE 48 - HG LEU 74 # SUP 1.97 HG13 ILE 48 - HB3 LYS+ 60 # SUP 0.26 Upper HG12 ILE 19 - HB THR 95 5.50 8 0.54 1.42 ++ *++ + + + # peak 3470 # SUP 1.20 Upper HG13 ILE 19 - HN ILE 68 5.50 7 0.47 1.37 +* + +++ + # peak 3489 # SUP 1.85 Upper HB3 LYS+ 20 - HG3 PRO 31 5.50 9 0.53 1.32 +++ + + * +++ # peak 3637 # SUP 2.51 HB3 LYS+ 20 - HB ILE 29 # SUP 2.55 Upper HG2 GLU- 18 - HA ALA 33 5.50 6 0.39 1.48 *++ + ++ # peak 3652 # SUP 2.19 Upper HG13 ILE 19 - HB3 PRO 31 5.50 7 0.37 1.03 + + ++++ * # peak 3663 # SUP 2.36 HB3 LYS+ 20 - HB3 PRO 31 # SUP 4.75 Upper HN LEU 43 - HB ILE 68 5.50 6 0.38 1.21 ++ + * ++ # peak 3695 # SUP 3.38 HB ILE 68 - HN LYS+ 72 # SUP 0.32 Upper QD1 ILE 19 - HB3 PHE 34 5.50 10 0.66 1.86 ++++++*+ ++ # peak 3792 # SUP 1.86 HA1 GLY 58 - QD1 ILE 68 # SUP 0.58 QD1 ILE 19 - HD3 PRO 35 # SUP 0.94 Upper HB3 LYS+ 72 - HA THR 95 5.13 6 0.43 1.41 + * + + + + # peak 3885 # SUP 3.34 HD3 LYS+ 72 - HA THR 95 # SUP 2.81 Upper QD1 ILE 19 - QD PHE 34 4.05 10 0.63 1.49 *+ + + ++ + ++ + # peak 291 # SUP 4.86 HG12 ILE 19 - QD PHE 34 # SUP 2.74 QD PHE 34 - QG2 VAL 94 # SUP 0.24 Upper QD PHE 21 - HB3 ARG+ 22 4.48 8 0.54 1.86 + +*+ + + ++ # peak 302 # SUP 2.44 Upper QD1 LEU 74 - QD TYR 83 4.87 10 0.69 1.39 +*+++ + + + + + # peak 554 # SUP 3.72 Upper QG2 ILE 19 - QD PHE 34 5.10 8 0.49 1.52 + *++ + + + + # peak 563 # SUP 2.93 Upper HA ILE 101 - HN ALA 103 3.44 10 0.65 1.24 + + + ++ +++ * + # peak 57 # SUP 2.30 HA ASN 76 - HN ALA 103 # SUP 0.55 HA SER 77 - HN ALA 103 # SUP 0.10 HA ILE 100 - HN ALA 103 # SUP 0.18 HA GLU- 50 - HN ALA 103 # SUP 0.02 Upper HN MET 97 - HA HIS+ 98 4.55 9 0.54 1.17 + ++++ + + * + # peak 71 # SUP 2.23 Upper HA ARG+ 84 - HN THR 95 3.78 12 0.92 2.06 + + ++ * +++ ++++ # peak 91 # SUP 1.25 HA SER 85 - HN THR 95 # SUP 1.21 HA LEU 90 - HN THR 95 # SUP 1.44 HA ALA 91 - HN THR 95 # SUP 0.58 Upper HN ARG+ 22 - HN ASP- 28 5.48 8 0.44 1.52 + + + + + +* + # peak 138 # SUP 0.60 HN ARG+ 22 - HN VAL 99 # SUP 2.16 Upper HB2 GLU- 18 - HN THR 96 5.50 7 0.45 1.17 + + ++ * + + # peak 168 # SUP 4.66 HG2 PRO 86 - HN THR 96 # SUP 0.65 Upper HN THR 96 - HB3 MET 97 5.50 8 0.57 1.98 + ++ +++ * + # peak 191 # SUP 3.48 HB2 LEU 67 - HN THR 96 # SUP 0.94 Upper HA LEU 17 - HN THR 96 4.77 7 0.40 1.42 + +* ++ + + # peak 210 # SUP 3.91 Upper HN GLU- 56 - HA1 GLY 58 4.85 13 0.70 1.40 ++ *+++ +++ + +++ # peak 228 # SUP 2.13 HG3 GLU- 50 - HN GLU- 56 # SUP 0.56 Upper QB ALA 91 - HN VAL 94 4.50 15 1.13 2.33 ++++++ +* ++++ + ++ # peak 506 # SUP 1.54 HG13 ILE 19 - HN VAL 94 # SUP 0.52 HD3 LYS+ 20 - HN VAL 94 # SUP 0.16 Upper HB3 MET 97 - HN VAL 99 5.21 7 0.48 1.67 + + + + ++ * # peak 540 # SUP 2.90 HB3 ARG+ 22 - HN VAL 99 # SUP 2.74 Upper HA TRP 51 - HN VAL 105 3.51 13 0.74 1.54 + +++ ++++*++ + + # peak 555 # SUP 0.02 HN VAL 94 - HA THR 95 # SUP 0.02 HA ASN 57 - HN VAL 105 # SUP 0.02 HA LYS+ 60 - HN VAL 105 # SUP 0.02 HA SER 88 - HN VAL 94 # SUP 0.02 Upper HN VAL 65 - QG2 ILE 101 4.20 11 0.59 1.39 + ++* +++ + + + + # peak 742 # SUP 0.59 HG2 PRO 59 - HN VAL 65 # SUP 0.02 HN VAL 65 - HG LEU 67 # SUP 0.02 QG2 ILE 48 - HN VAL 65 # SUP 0.02 QG2 VAL 40 - HN VAL 65 # SUP 0.02 Upper HN GLU- 45 - QG2 VAL 62 4.44 10 0.63 1.46 * +++ ++++ + + # peak 750 # SUP 1.91 HN GLU- 45 - HG LEU 74 # SUP 2.79 QG2 ILE 29 - HN GLU- 45 # SUP 0.74 HG12 ILE 29 - HN GLU- 45 # SUP 0.60 HN GLU- 45 - QG2 VAL 73 # SUP 0.29 Upper HN LYS+ 44 - HA1 GLY 58 4.55 12 0.56 1.09 +++*+ +++ +++ + # peak 776 # SUP 3.31 HN LYS+ 44 - HG2 GLU- 56 # SUP 0.75 HN LYS+ 44 - HG3 GLU- 75 # SUP 0.59 Upper HN SER 27 - HA ILE 48 4.70 6 0.52 1.35 + + + ++* # peak 817 # SUP 2.39 Upper HN SER 27 - HB ILE 48 5.50 7 0.52 1.09 + ++ *+ + + # peak 818 # SUP 0.75 Upper HA1 GLY 26 - HN ASP- 28 3.88 8 0.52 1.35 + + ++ +* + + # peak 824 # SUP 2.28 HA2 GLY 26 - HN ASP- 28 # SUP 1.54 Upper HN THR 61 - HG2 GLU- 64 5.10 10 0.51 0.98 ++++ + + + + *+ # peak 1039 # SUP 0.57 HN THR 61 - HB VAL 62 # SUP 2.75 HB2 LYS+ 44 - HN THR 61 # SUP 0.02 Upper QD1 ILE 48 - HN THR 61 5.13 8 0.39 1.22 + +++ +++ * # peak 1044 # SUP 2.75 HG13 ILE 48 - HN THR 61 # SUP 0.75 HG12 ILE 48 - HN THR 61 # SUP 1.01 Upper HN THR 46 - HA ILE 48 5.46 20 1.07 1.27 ++++*+++++++++++++++ # peak 1171 # SUP 1.29 Upper HD3 PRO 31 - HN LYS+ 44 5.50 6 0.35 1.13 ++ * + + + # peak 1177 # SUP 2.97 HA1 GLY 30 - HN LYS+ 44 # SUP 0.66 HN LYS+ 44 - HA ILE 48 # SUP 0.51 Upper HG LEU 74 - HN VAL 99 5.50 8 0.58 1.65 +*+ + + + ++ # peak 1192 # SUP 2.46 HB ILE 68 - HN VAL 99 # SUP 0.08 Angle PHI LEU 17 229.00 273.00 8 4.90 22.87 ++ + + * + + + Angle PSI LEU 17 116.00 146.00 8 4.05 14.94 * ++ ++ + ++ Angle PHI ILE 19 239.00 273.00 12 8.26 22.98 + ++* +++++++ + Angle PSI ILE 19 124.00 144.00 13 11.18 30.71 +++ +++ + +++ + *+ Angle PHI LYS+ 20 204.00 242.00 8 7.14 34.21 + + ++ +*++ Angle PSI LYS+ 20 128.00 162.00 8 2.99 9.45 ++ + ++ + *+ Angle PHI PHE 21 237.00 261.00 10 6.61 23.60 + ++ ++ * ++ ++ Angle PSI PHE 21 106.00 132.00 17 13.18 29.24 ++ +*++ +++++++++++ Angle PHI ARG+ 22 225.00 267.00 8 5.09 20.51 + + ++ *+ ++ Angle PSI ARG+ 22 107.00 141.00 10 6.62 18.09 + +++ + ++ * + + Angle PHI ASP- 28 210.00 256.00 10 5.70 15.81 + +++* +++ + + Angle PSI ASP- 28 127.00 157.00 18 13.22 32.81 +++++++++ ++* ++++++ Angle PHI ILE 29 214.00 268.00 9 5.81 21.78 + + + + + ++ *+ Angle PSI ILE 29 109.00 149.00 13 8.11 22.90 +++ +++ *+ ++ +++ Angle PSI PRO 31 128.00 150.00 15 10.05 37.56 ++++ * +++ +++++++ Angle PHI LYS+ 32 205.00 253.00 13 11.21 45.07 +++++++ ++ *++ + Angle PSI LYS+ 32 137.00 157.00 15 10.64 21.34 ++ +++++ ++ *+++++ Angle PHI ALA 33 246.00 278.00 13 8.74 26.36 ++ + *++ +++++ + + Angle PSI ALA 33 120.00 148.00 17 12.41 25.63 ++*++++++ ++ ++++++ Angle PHI PHE 34 222.00 260.00 8 3.89 15.67 + ++ + ++* + Angle PHI SER 41 281.00 301.00 11 6.88 23.97 ++*+ + + ++ +++ Angle PHI ALA 42 282.00 302.00 7 3.68 9.46 + + + *+++ Angle PSI ALA 42 314.00 334.00 19 15.82 38.29 +++ +*++++++++++++++ Angle PHI LEU 43 283.00 303.00 17 10.22 24.65 +++++*+ ++ +++ +++++ Angle PSI LEU 43 314.00 338.00 7 6.12 25.03 + + * +++ + Angle PHI LYS+ 44 263.00 301.00 10 5.95 18.23 +++ *+ ++++ + Angle PHI GLU- 45 283.00 303.00 13 12.11 29.26 + *+ + + +++++ +++ Angle PSI GLU- 45 311.00 337.00 19 16.51 28.29 ++++++++ ++++++++*++ Angle PHI THR 46 286.00 306.00 7 4.63 23.50 +++ + + * + Angle PSI THR 46 307.00 333.00 18 23.99 47.06 +++++ ++++++*++++++ Angle PHI VAL 47 286.00 306.00 18 30.63 49.57 ++ +++++++*+++++ +++ Angle PSI VAL 47 304.00 324.00 6 4.02 24.61 ++ + + * + Angle PSI ILE 48 308.00 328.00 10 8.89 45.27 ++ + + + +*+++ Angle PSI TRP 51 110.00 138.00 17 13.22 24.80 ++++++++ ++*+ +++++ Angle PHI ARG+ 53 285.00 305.00 15 8.06 20.15 + + +++*++++ +++++ Angle PSI ARG+ 53 314.00 334.00 19 17.75 45.56 +++++++++++++++*+++ Angle PHI GLU- 54 256.00 286.00 19 17.57 48.04 ++++++++*++++ ++++++ Angle PSI GLU- 54 331.00 13.00 10 5.56 16.45 ++ ++++ ++ * + Angle PHI THR 61 232.00 276.00 17 13.37 36.26 *+++ ++++++++++++ + Angle PSI THR 61 147.00 175.00 13 14.22 50.25 +++++++ + ++ + *+ Angle PHI VAL 62 289.00 309.00 13 9.54 21.74 ++ + +* +++++ + + + Angle PSI VAL 62 316.00 336.00 6 4.85 19.57 + + + +* + Angle PHI VAL 65 225.00 259.00 12 7.30 23.62 +++ +* +++ + +++ Angle PSI VAL 65 92.00 130.00 7 5.02 22.67 * + + + +++ Angle PHI LYS+ 66 235.00 281.00 11 7.65 25.81 *++ + +++ ++ ++ Angle PSI LYS+ 66 118.00 152.00 14 15.06 48.88 *+++ ++++ ++ + +++ Angle PHI LEU 67 223.00 259.00 14 13.02 41.44 +++++ + + ++ +++*+ Angle PSI LEU 67 135.00 155.00 13 13.08 58.66 + + ++++++ + ++*+ Angle PHI ILE 68 227.00 253.00 13 16.42 69.35 + ++ +++ +++++ *+ Angle PSI ILE 68 110.00 146.00 10 11.13 36.14 ++ ++++ + *++ Angle PHI SER 69 218.00 274.00 6 5.21 22.22 + *+ + ++ Angle PSI SER 69 110.00 134.00 8 7.56 33.34 + + + * + +++ Angle PHI LYS+ 72 235.00 261.00 7 4.97 13.94 + +*+ + + + Angle PSI LYS+ 72 116.00 150.00 16 15.77 41.43 +++ ++ +++++ ++*+++ Angle PHI VAL 73 244.00 278.00 10 12.37 43.08 ++ ++ *+ + ++ + Angle PSI VAL 73 107.00 137.00 10 6.18 15.83 + ++*++ + ++ + Angle PSI THR 79 148.00 174.00 8 4.25 14.02 +++ + +++ * Angle PHI VAL 80 284.00 304.00 9 4.31 8.11 + + +* +++ + + Angle PSI VAL 80 313.00 333.00 13 7.02 19.87 + *+ ++ +++ ++++ + Angle PSI SER 85 113.00 153.00 9 4.72 15.47 + ++++ + ++* Angle PHI LEU 90 254.00 298.00 9 5.25 16.52 + + *+ ++ + + + Angle PSI LEU 90 119.00 151.00 7 2.67 10.49 + + + + *+ + Angle PHI GLY 92 77.00 97.00 7 3.74 10.48 ++* + + + + Angle PSI GLY 92 349.00 11.00 10 7.45 23.74 ++++ ++ +* + + Angle PHI ALA 93 251.00 297.00 13 12.39 38.66 + ++ +++++++ *++ Angle PSI ALA 93 109.00 151.00 19 22.77 49.04 +++++ +++*++++++++++ Angle PHI VAL 94 245.00 279.00 11 10.74 50.84 ++ + ++ +++*++ Angle PSI VAL 94 119.00 147.00 12 7.51 23.62 + *++ + ++++ + ++ Angle PSI THR 95 113.00 139.00 12 11.64 41.99 +++ ++ ++ +*++ + Angle PHI THR 96 246.00 294.00 15 18.92 49.12 ++ +++++*+ ++ ++++ Angle PSI THR 96 116.00 146.00 14 15.08 47.35 ++ ++++ ++ ++ +++ * Angle PHI MET 97 248.00 292.00 13 15.50 36.47 ++ ++ + + + +++*++ Angle PSI MET 97 120.00 166.00 13 13.02 31.58 + ++*++++ + + +++ Angle PHI HIS+ 98 248.00 288.00 12 8.68 26.06 + + ++++++ +* ++ Angle PSI HIS+ 98 121.00 149.00 16 17.65 40.41 ++ +++++++ +++ +*++ Angle PHI VAL 99 242.00 268.00 14 14.23 46.33 ++ +++ ++* ++ ++ ++ Angle PSI VAL 99 121.00 143.00 6 4.69 26.56 +* + + + + Angle PHI ILE 100 227.00 273.00 9 6.26 17.79 + +++*+++ + Angle PSI ILE 100 113.00 143.00 8 6.20 19.72 + * ++ + + ++ Angle PHI ILE 101 252.00 274.00 15 9.72 23.92 ++ + + *++++++ ++++ Angle PSI ILE 101 107.00 131.00 8 5.87 15.92 *+ + + ++++ Angle PSI GLN 102 122.00 152.00 11 7.05 21.58 + + ++ +*+++ ++ Angle PHI VAL 105 255.00 287.00 8 5.01 12.35 +* + + + + + + Angle PSI VAL 105 109.00 151.00 14 5.63 10.76 ++ +++++ ++* + + ++ Angle PHI THR 106 251.00 289.00 20 12.07 14.26 +*++++++++++++++++++ Angle PSI THR 106 112.00 150.00 20 19.35 20.53 +++++*++++++++++++++ 60 violated distance constraints. 86 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 3.58 +/- 0.61 A (2.57..4.86 A) Average heavy atom RMSD to mean : 4.13 +/- 0.57 A (3.20..5.22 A)