Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 443.17 33 262.2 3.76 302 158.8 0.82 71 1539.3 99.71 2 451.49 26 276.0 2.87 312 166.5 0.87 71 1573.7 52.09 3 460.01 28 262.3 2.99 284 158.3 0.78 81 2002.5105.14 4 461.86 31 266.8 2.83 335 188.8 1.00 71 1493.6 50.09 5 480.05 34 269.3 3.23 307 165.9 0.87 72 1725.5 67.23 6 489.04 37 274.8 3.22 292 164.4 0.99 73 1795.4 68.87 7 492.62 32 278.4 3.80 313 172.7 0.96 70 1657.7 78.70 8 497.08 38 277.1 3.05 302 166.9 1.14 76 1886.5 87.70 9 506.21 33 273.5 3.73 329 176.5 1.03 78 1963.7120.64 10 507.56 47 287.9 2.78 331 182.7 1.18 70 1401.8 92.17 11 510.95 35 295.2 3.13 341 187.1 1.03 68 1578.0 68.83 12 513.10 31 289.3 3.65 332 182.9 0.94 71 1723.8 94.35 13 513.12 35 290.1 2.87 301 167.0 1.14 62 1639.9128.07 14 513.64 37 279.3 3.39 400 213.3 0.85 72 1705.7 87.18 15 514.91 26 276.8 2.79 401 215.2 1.00 76 1823.0107.54 16 515.51 41 285.9 3.63 356 189.7 0.84 68 1459.0112.84 17 521.28 41 296.3 3.77 313 172.6 1.11 68 1690.3 67.62 18 522.27 30 276.9 3.07 344 188.8 1.08 77 1859.3125.29 19 523.74 31 296.9 2.94 351 192.8 1.02 68 1696.6 81.19 20 526.02 35 284.7 2.90 375 198.5 1.04 76 1771.7 76.48 Ave 498.18 34 280.0 3.22 331 180.5 0.98 72 1699.4 88.59 +/- 25.05 5 10.3 0.36 32 16.1 0.11 4 158.7 22.49 Min 443.17 26 262.2 2.78 284 158.3 0.78 62 1401.8 50.09 Max 526.02 47 296.9 3.80 401 215.2 1.18 81 2002.5128.07 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 1.50 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HA ASN 89 - QB ALA 91 2.96 7 1.51 3.39 + ++ + + * + # peak 679 # SUP 1.98 Upper HA SER 88 - QB ALA 91 3.97 8 1.10 2.90 + + ++ ++ + * # peak 818 # SUP 0.53 HG13 ILE 19 - HA SER 88 # SUP 0.64 HG LEU 74 - HA SER 88 # SUP 0.56 HB3 LYS+ 20 - HA SER 88 # SUP 0.29 HB2 LYS+ 20 - HA SER 88 # SUP 0.27 HG3 LYS+ 20 - HA SER 88 # SUP 0.29 HG2 LYS+ 78 - HA SER 88 # SUP 0.02 Upper HA ARG+ 53 - HB3 GLU- 54 3.05 15 1.71 2.42 ++ ++++++ *+ + + +++ # peak 938 # SUP 1.42 HA ARG+ 53 - HD3 LYS+ 63 # SUP 0.49 HA ARG+ 53 - HB3 CYS 123 # SUP 0.02 HG2 GLU- 18 - HA ARG+ 53 # SUP 0.02 HA ARG+ 53 - HB3 MET 118 # SUP 0.02 HB3 GLN 16 - HA ARG+ 53 # SUP 0.02 Upper HA GLU- 56 - HG3 GLU- 64 3.02 6 1.23 1.80 + ++ ++ * # peak 991 # SUP 1.32 HA SER 85 - HB2 PRO 86 # SUP 2.97 HA SER 85 - HB3 PRO 86 # SUP 3.71 HG3 GLU- 64 - HA GLU- 75 # SUP 0.15 HA GLU- 56 - HA1 GLY 58 # SUP 1.91 HA ARG+ 84 - HB2 PRO 86 # SUP 0.49 HA1 GLY 58 - HA ARG+ 84 # SUP 0.68 HA1 GLY 58 - HA LYS+ 108 # SUP 0.59 HA GLU- 56 - HB3 PRO 86 # SUP 0.71 Upper HA ASN 89 - HA ALA 91 3.65 19 2.68 3.65 +++++ +++++*++++++++ # peak 1245 # SUP 1.82 HA LYS+ 63 - HA ALA 91 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.15 11 1.39 2.05 + + + +++++ ++ * # peak 1246 # SUP 1.82 HA ALA 91 - HA ALA 93 # SUP 0.11 HA ALA 91 - HA1 GLY 114 # SUP 0.02 Upper HA THR 95 - HD3 PRO 116 2.93 6 1.20 2.50 + + ++ * + # peak 1287 # SUP 0.61 HA ILE 19 - HD3 PRO 116 # SUP 0.35 HA ASN 89 - HD3 PRO 116 # SUP 0.16 HD3 PRO 86 - HA ASN 89 # SUP 0.51 HA ASN 89 - HD3 PRO 112 # SUP 0.12 HA THR 95 - HD3 PRO 112 # SUP 0.02 Upper HB3 LEU 67 - HG LEU 74 3.45 6 1.06 2.07 +*+ + + + # peak 1365 # SUP 4.68 HB3 LEU 67 - HB ILE 68 # SUP 2.39 Upper HB ILE 19 - HN MET 97 3.80 6 1.13 2.13 ++ * ++ + # peak 1513 # SUP 3.09 HN LEU 17 - HB ILE 19 # SUP 1.02 HB ILE 19 - HN THR 96 # SUP 2.11 HB ILE 19 - HN ARG+ 22 # SUP 0.48 HB ILE 19 - HN PHE 21 # SUP 0.51 Upper HG3 GLU- 50 - HA ASN 89 3.49 7 1.27 2.86 + +++ * + + # peak 1833 # SUP 2.03 HG3 GLU- 50 - HA PRO 52 # SUP 0.19 Upper HB2 LEU 67 - HG13 ILE 68 3.72 7 1.00 1.75 + * +++ ++ # peak 2466 # SUP 3.02 HB2 LEU 67 - HG12 ILE 68 # SUP 2.22 HG13 ILE 68 - HB ILE 100 # SUP 0.61 HG12 ILE 68 - HB ILE 100 # SUP 1.05 HG13 ILE 68 - HG12 ILE 101 # SUP 0.46 HG13 ILE 68 - HG3 LYS+ 78 # SUP 0.29 HG12 ILE 68 - HG3 LYS+ 78 # SUP 0.25 HB3 ARG+ 22 - HG12 ILE 68 # SUP 0.51 HG12 ILE 68 - HG12 ILE 101 # SUP 0.19 Upper HB VAL 62 - HG LEU 74 3.46 6 0.96 1.85 * + ++ + + # peak 2558 # SUP 1.46 HB2 LYS+ 44 - HG LEU 74 # SUP 1.43 HG LEU 74 - HB3 LYS+ 110 # SUP 0.74 HG LEU 74 - HB VAL 105 # SUP 1.64 HB3 GLU- 45 - HG LEU 74 # SUP 1.81 HG LEU 74 - HB3 GLU- 75 # SUP 2.30 HB2 GLU- 45 - HG LEU 74 # SUP 1.88 HG LEU 74 - HG3 PRO 86 # SUP 0.13 HG LEU 74 - HB3 GLU- 107 # SUP 0.62 HB3 GLU- 45 - QB ALA 103 # SUP 0.75 HB2 GLU- 45 - QB ALA 103 # SUP 0.99 HB2 GLU- 18 - HG LEU 74 # SUP 1.58 Upper HA LYS+ 60 - HB THR 61 2.54 20 2.05 2.86 +*++++++++++++++++++ # peak 3343 # SUP 1.55 HB THR 61 - HA ASN 89 # SUP 0.29 HB THR 61 - HA VAL 73 # SUP 0.02 HA THR 38 - HB THR 61 # SUP 0.02 Upper HN LYS+ 66 - HA ASN 89 3.30 9 1.43 2.25 + ++ ++* ++ + # peak 23 # SUP 0.61 HA GLU- 64 - HN LYS+ 66 # SUP 0.56 HN LYS+ 66 - HA MET 126 # SUP 0.25 HN LYS+ 66 - HA VAL 73 # SUP 0.08 Upper HA ASN 89 - HN ALA 93 3.48 8 1.14 2.31 *+ + + ++++ # peak 291 # SUP 1.77 HA LEU 90 - HN ALA 93 # SUP 1.25 HA VAL 73 - HN ALA 93 # SUP 0.75 Upper HN ILE 68 - HN HIS+ 98 4.26 12 1.41 2.84 + ++++ ++* ++++ # peak 460 # SUP 0.45 HN ILE 68 - HN ALA 70 # SUP 0.99 Upper HG3 GLN 16 - HN VAL 99 3.55 8 1.37 2.73 +++ + + + *+ # peak 536 # SUP 0.86 HG2 GLN 16 - HN VAL 99 # SUP 0.57 HN VAL 99 - HG2 GLN 102 # SUP 0.38 HN VAL 99 - HB3 PRO 104 # SUP 0.26 HN VAL 99 - HG2 PRO 104 # SUP 0.26 HA1 GLY 58 - HN VAL 99 # SUP 0.55 Upper HN SER 69 - HN LYS+ 72 4.25 7 1.17 2.83 + +++ *+ + # peak 669 # SUP 0.47 Upper QG2 ILE 48 - HN VAL 65 3.37 7 1.12 2.20 + + + ++ +* # peak 742 # SUP 0.59 HG2 PRO 59 - HN VAL 65 # SUP 0.47 HN VAL 65 - QG2 ILE 101 # SUP 0.46 HB2 LEU 9 - HN VAL 65 # SUP 0.37 HN VAL 65 - HG LEU 67 # SUP 0.37 QD2 LEU 9 - HN VAL 65 # SUP 0.28 Upper HN ILE 48 - HB3 LEU 67 2.67 8 1.15 3.04 ++ * ++++ + # peak 1114 # SUP 2.20 HN ILE 48 - HG LEU 74 # SUP 1.29 HZ2 TRP 51 - HG LEU 90 # SUP 0.43 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.75 QD1 ILE 19 - HB3 MET 97 # SUP 1.51 HB2 HIS+ 8 - QD1 ILE 19 # SUP 0.02 Upper HG13 ILE 19 - HA ILE 68 2.95 6 1.00 2.54 + + + ++* # peak 2502 # SUP 0.98 HG13 ILE 19 - HA PHE 34 # SUP 0.02 HG12 ILE 19 - HD3 LYS+ 55 # SUP 0.75 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.75 HD3 LYS+ 55 - QG2 VAL 94 # SUP 0.02 HD3 LYS+ 55 - QG1 VAL 62 # SUP 0.02 Upper HA2 GLY 26 - HA ASN 89 2.97 6 1.18 3.22 + * ++ ++ # peak 3744 # SUP 1.49 HA1 GLY 26 - HA ASN 89 # SUP 2.14 HA2 GLY 26 - HA ILE 48 # SUP 0.86 HA1 GLY 26 - HA ILE 48 # SUP 0.86 HB2 LEU 23 - HB3 GLU- 50 # SUP 1.18 HB2 LEU 23 - HB VAL 94 # SUP 0.32 HB2 HIS+ 7 - HB2 LEU 23 # SUP 0.30 HB2 LEU 23 - HB2 ARG+ 84 # SUP 0.27 HB2 LEU 23 - HB ILE 48 # SUP 0.56 Upper HA ASN 89 - HN THR 95 2.98 6 1.07 2.84 + + *+ ++ # peak 3554 # SUP 2.69 HA VAL 73 - HN THR 95 # SUP 2.32 HD3 PRO 59 - HN THR 95 # SUP 1.04 HA PRO 59 - HN THR 95 # SUP 0.90 HA ARG+ 84 - HN THR 95 # SUP 0.39 HA SER 85 - HN THR 95 # SUP 0.37 HA ALA 91 - HN THR 95 # SUP 0.37 HN THR 95 - HA LYS+ 108 # SUP 0.26 HA GLU- 75 - HN THR 95 # SUP 0.12 HA VAL 65 - HN THR 95 # SUP 0.09 HB2 HIS+ 4 - HE3 TRP 51 # SUP 1.90 HB2 HIS+ 4 - HN ASP- 82 # SUP 0.02 Upper HG LEU 17 - QG2 ILE 29 2.88 7 1.30 2.83 * + + + + ++ # peak 721 # SUP 1.85 HG LEU 17 - HG12 ILE 29 # SUP 1.59 HG LEU 17 - HG LEU 74 # SUP 1.69 HA VAL 73 - HN THR 106 # SUP 1.79 HA ASN 76 - HN LYS+ 81 # SUP 0.75 HA VAL 73 - HN LYS+ 81 # SUP 1.46 HA SER 77 - HN LYS+ 81 # SUP 0.75 HN LYS+ 81 - HA CYS 123 # SUP 0.43 HA ASN 89 - HN THR 106 # SUP 0.39 HA LYS+ 55 - HN LYS+ 81 # SUP 0.47 HA LYS+ 55 - HN THR 106 # SUP 0.35 HN LYS+ 81 - HA ALA 103 # SUP 0.45 HA ASN 76 - HN THR 106 # SUP 0.08 Upper HN LEU 43 - QD2 LEU 74 2.93 10 1.53 2.87 + ++ + + + + ++ * # peak 333 # SUP 1.22 HZ PHE 34 - QB ALA 103 # SUP 0.89 HZ PHE 34 - HG LEU 74 # SUP 0.63 HG3 LYS+ 20 - HZ PHE 34 # SUP 0.68 HB2 LEU 17 - HZ PHE 34 # SUP 0.27 Upper HB3 LYS+ 20 - HG LEU 74 3.20 6 1.04 3.06 ++* + + + # peak 467 # SUP 2.89 HB2 LYS+ 20 - HG LEU 74 # SUP 3.03 HB3 LYS+ 20 - HG13 ILE 100 # SUP 0.40 HB2 LYS+ 20 - HG13 ILE 100 # SUP 0.40 HN HIS+ 4 - HA PRO 116 # SUP 1.06 HN HIS+ 4 - HA ASP- 115 # SUP 0.57 HN HIS+ 4 - HA ASN 15 # SUP 0.02 HN HIS+ 4 - HA LYS+ 113 # SUP 0.02 Upper HA ILE 68 - QD2 LEU 74 3.67 8 1.42 3.76 *+ + + + + ++ # peak 3461 # SUP 0.77 HG2 LYS+ 32 - HN LYS+ 55 # SUP 1.67 HN LYS+ 55 - QB ALA 103 # SUP 0.76 HG2 LYS+ 32 - HN LYS+ 63 # SUP 0.02 Upper HB3 LYS+ 20 - HN LYS+ 117 4.04 9 1.29 2.49 + ++ +*+ + ++ # peak 1034 # SUP 2.23 HB2 LYS+ 20 - HN LYS+ 117 # SUP 1.46 QG2 THR 39 - HN LYS+ 117 # SUP 1.03 HD3 LYS+ 20 - HN LYS+ 117 # SUP 1.37 HG3 LYS+ 20 - HN LYS+ 117 # SUP 1.39 HG LEU 74 - HN LYS+ 117 # SUP 0.57 HG13 ILE 19 - HN LYS+ 117 # SUP 0.53 HN GLY 26 - HA ASN 89 # SUP 2.03 HN GLY 26 - HB2 SER 49 # SUP 0.10 HN GLY 26 - HA LYS+ 44 # SUP 0.08 HN GLY 26 - HA ALA 70 # SUP 0.09 Upper HG LEU 74 - HN VAL 122 3.58 8 1.34 3.10 +++ + + * ++ # peak 128 # SUP 1.83 HB2 LEU 74 - HN VAL 122 # SUP 1.77 HB2 LEU 74 - HN CYS 121 # SUP 1.85 HG LEU 74 - HN CYS 121 # SUP 1.82 HB ILE 68 - HN VAL 122 # SUP 0.63 HB ILE 68 - HN CYS 121 # SUP 0.58 HN LYS+ 20 - HA ASP- 115 # SUP 0.47 HN LYS+ 20 - HA ASN 89 # SUP 1.53 HN LYS+ 20 - HA LYS+ 113 # SUP 0.02 HN LYS+ 20 - HA PRO 116 # SUP 0.02 HA ASN 15 - HN LYS+ 20 # SUP 0.02 Upper HB2 HIS+ 4 - HN TRP 51 3.35 6 1.07 2.78 + +* + + + # peak 163 # SUP 1.96 HB2 HIS+ 4 - HH2 TRP 51 # SUP 1.32 HN THR 46 - QB ALA 103 # SUP 1.79 HN LYS+ 55 - QB ALA 103 # SUP 0.76 HN ALA 93 - QB ALA 103 # SUP 0.02 Upper HG13 ILE 19 - HA ASN 89 3.68 10 1.52 2.82 + * +++ + ++ ++ # peak 420 # SUP 1.86 HG13 ILE 19 - HA LYS+ 44 # SUP 0.66 HG13 ILE 19 - HB2 SER 88 # SUP 0.21 HD3 LYS+ 32 - HN LYS+ 55 # SUP 1.15 HB3 LYS+ 32 - HN LYS+ 55 # SUP 0.75 HN LYS+ 55 - HG3 LYS+ 110 # SUP 0.28 HN LYS+ 55 - HG2 LYS+ 110 # SUP 0.29 HB3 LEU 17 - HN LYS+ 55 # SUP 0.13 Angle PSI HIS+ 8 129.00 153.00 9 4.86 16.78 *+ + +++ + ++ Angle PHI LEU 17 229.00 273.00 13 16.21 46.56 + + + +++++++*+ + Angle PSI LEU 17 116.00 146.00 15 15.88 49.59 +* ++++++++++++ + Angle PHI ILE 19 239.00 273.00 15 14.16 64.08 ++++++ +++ ++ *+++ Angle PSI ILE 19 124.00 144.00 16 21.80 67.70 +++ +++++ *++ +++++ Angle PHI LYS+ 20 204.00 242.00 13 16.41 49.75 +* + + +++++++ ++ Angle PSI LYS+ 20 128.00 162.00 9 10.86 57.52 +++ +++*+ + Angle PHI PHE 21 237.00 261.00 16 28.35 87.70 ++ +++*+++ +++ ++++ Angle PSI PHE 21 106.00 132.00 18 29.34 74.46 +++++++++++++ + ++*+ Angle PHI ARG+ 22 225.00 267.00 17 25.74 59.30 +++ ++++*+++ ++++++ Angle PSI ARG+ 22 107.00 141.00 10 10.76 38.35 ++ ++ +*+ + ++ Angle PHI THR 24 276.00 298.00 13 9.07 22.88 ++ + +++ + ++++ +* Angle PSI THR 24 313.00 345.00 9 6.40 33.11 + + ++ ++ + +* Angle PHI ASP- 25 248.00 276.00 10 7.73 30.41 ++ ++*+ + + ++ Angle PSI ASP- 25 359.00 25.00 10 6.92 41.29 + * + + ++ ++ + + Angle PHI ASP- 28 210.00 256.00 11 7.48 19.69 *++ + ++++++ + Angle PSI ASP- 28 127.00 157.00 9 6.51 21.24 + + + ++*++ + Angle PHI ILE 29 214.00 268.00 12 11.96 35.58 + ++++ ++* +++ + Angle PSI ILE 29 109.00 149.00 10 10.83 36.35 + ++ ++ +++ * + Angle PSI PRO 31 128.00 150.00 13 21.91 66.44 +++ + ++ ++ *++++ Angle PHI LYS+ 32 205.00 253.00 13 19.93 125.29 ++++ ++ + +++*++ Angle PSI LYS+ 32 137.00 157.00 18 25.55 78.32 ++++++*++++++ +++ ++ Angle PHI ALA 33 246.00 278.00 14 18.59 43.08 + +++*+ +++ + ++++ Angle PSI ALA 33 120.00 148.00 13 17.68 61.06 ++++ +*++++ + + + Angle PSI PHE 34 116.00 164.00 16 11.97 34.47 ++++++++ +++ +++* + Angle PSI PRO 35 119.00 149.00 9 7.70 29.03 ++* ++ + +++ Angle PHI THR 38 261.00 293.00 10 6.40 21.54 *+ ++ + +++ ++ Angle PSI THR 38 113.00 153.00 11 7.64 21.59 +*+ +++ ++ + ++ Angle PHI VAL 40 282.00 302.00 8 4.24 14.86 * ++ + +++ + Angle PSI VAL 40 319.00 339.00 10 6.76 16.91 ++ +*++ + + ++ Angle PHI SER 41 281.00 301.00 15 11.01 24.43 ++ ++++++ +++* + ++ Angle PSI SER 41 309.00 329.00 11 9.44 26.44 +++ +*+ + +++ + Angle PHI ALA 42 282.00 302.00 13 10.04 31.23 *++ +++++++ ++ + Angle PSI ALA 42 314.00 334.00 11 7.66 34.45 + + ++ + ++ +++ * Angle PHI LEU 43 283.00 303.00 9 8.33 31.85 + *+ + + + ++ + Angle PSI LEU 43 314.00 338.00 10 14.86 80.30 + ++++*+ ++ + Angle PHI LYS+ 44 263.00 301.00 10 12.71 62.07 + + +*+ ++ +++ Angle PSI LYS+ 44 314.00 10.00 14 23.33 68.83 +++ ++ ++ *++++ ++ Angle PHI GLU- 45 283.00 303.00 16 21.93 62.31 + +++ +++++ ++++* ++ Angle PSI GLU- 45 311.00 337.00 15 14.49 58.91 ++ + + ++++* +++ +++ Angle PHI THR 46 286.00 306.00 16 15.94 50.53 ++++ + +++++*+++++ Angle PSI THR 46 307.00 333.00 12 11.20 46.83 + +++ ++++ + + +* Angle PHI VAL 47 286.00 306.00 12 13.02 76.48 +++ ++ ++++ + + * Angle PSI VAL 47 304.00 324.00 16 13.67 52.70 +++ + ++ +++++ ++++* Angle PHI ILE 48 291.00 311.00 14 15.35 90.76 + +++ ++ + *+++ +++ Angle PSI ILE 48 308.00 328.00 7 5.63 34.95 * + + + +++ Angle PHI TRP 51 251.00 281.00 16 15.31 47.54 + +++++*++ ++++ +++ Angle PSI TRP 51 110.00 138.00 11 15.38 56.02 + ++ ++ + +++* + Angle PHI ARG+ 53 285.00 305.00 10 5.88 15.58 + + ++*++ + + + Angle PSI ARG+ 53 314.00 334.00 18 33.24 87.38 +++++++++ ++ +*+++++ Angle PHI GLU- 54 256.00 286.00 19 24.45 49.98 ++++++++++ +++*+++++ Angle PSI GLU- 54 331.00 13.00 12 8.95 25.90 ++ ++ ++++* +++ Angle PHI THR 61 232.00 276.00 10 11.23 33.97 * +++ + + ++ + + Angle PSI THR 61 147.00 175.00 8 11.04 63.90 + ++ + * + + + Angle PHI VAL 62 289.00 309.00 15 8.06 18.61 +* +++++ ++++ + +++ Angle PSI VAL 62 316.00 336.00 6 4.00 13.78 + + + * + + Angle PHI VAL 65 225.00 259.00 9 7.02 30.82 ++* + + + + + + Angle PSI VAL 65 92.00 130.00 15 25.39 62.14 +++ + ++ *+ +++++++ Angle PHI LYS+ 66 235.00 281.00 16 19.23 40.44 +++++++ ++++++ + *+ Angle PSI LYS+ 66 118.00 152.00 11 9.95 30.09 ++*+ + + ++ + ++ Angle PHI LEU 67 223.00 259.00 16 16.25 44.52 +*++++ ++++++++ ++ Angle PSI LEU 67 135.00 155.00 20 36.01 73.88 +++++++++*++++++++++ Angle PHI ILE 68 227.00 253.00 15 26.26 100.96 ++++++ ++++ * +++ + Angle PSI ILE 68 110.00 146.00 14 12.09 32.85 ++ ++++*+ ++++ + + Angle PHI SER 69 218.00 274.00 10 11.79 33.25 +++ +++ ++ * + Angle PSI SER 69 110.00 134.00 18 28.58 57.62 +++++++*+++ +++++++ Angle PHI LYS+ 72 235.00 261.00 7 3.99 16.45 + + ++ * + + Angle PSI LYS+ 72 116.00 150.00 13 15.01 50.88 +++ *+++++ + + + + Angle PHI VAL 73 244.00 278.00 9 10.64 31.87 ++ + + ++* + + Angle PSI VAL 73 107.00 137.00 11 8.04 38.05 + ++++ + + +++* Angle PHI ASN 76 276.00 300.00 11 7.01 35.41 + + + +++++* ++ Angle PSI ASN 76 320.00 344.00 12 8.57 34.16 +*+++ + + + + +++ Angle PHI THR 79 222.00 272.00 6 3.84 10.56 + + + + *+ Angle PSI THR 79 148.00 174.00 14 19.89 45.52 + + ++++++++ ++*+ Angle PHI VAL 80 284.00 304.00 10 9.20 66.68 + + *+++ + +++ Angle PSI VAL 80 313.00 333.00 7 8.98 66.02 + *+++ ++ Angle PHI LYS+ 81 287.00 307.00 11 8.36 35.26 +++++ ++ *++ + Angle PSI LYS+ 81 309.00 331.00 11 7.04 24.92 ++ ++ * ++ + +++ Angle PHI ARG+ 84 239.00 303.00 8 7.30 25.91 ++ + + +++* Angle PSI ARG+ 84 118.00 162.00 11 10.68 35.16 +++ ++++ * + ++ Angle PHI SER 85 256.00 276.00 14 11.32 26.17 + + *+++ ++ ++++++ Angle PSI SER 85 113.00 153.00 14 13.37 41.32 +++++++++ + *+ + + Angle PHI LEU 90 254.00 298.00 16 19.21 50.82 ++++++++ *+++++ ++ Angle PSI LEU 90 119.00 151.00 19 42.04 69.85 ++++++++++++ ++++*++ Angle PHI GLY 92 77.00 97.00 13 10.07 40.82 + ++ + + ++ +++ ++* Angle PSI GLY 92 349.00 11.00 12 11.90 57.42 *+ ++++ +++ + + + Angle PHI ALA 93 251.00 297.00 20 29.68 62.28 ++++++++*+++++++++++ Angle PSI ALA 93 109.00 151.00 14 14.03 55.76 ++++++ + + ++ + +*+ Angle PHI VAL 94 245.00 279.00 12 13.47 51.48 ++ ++ + + +*++++ Angle PSI VAL 94 119.00 147.00 15 19.83 43.40 ++++++*+++++ + ++ Angle PHI THR 95 219.00 273.00 9 7.73 27.79 ++*+ + + ++ + Angle PSI THR 95 113.00 139.00 16 27.64 87.18 ++++++++ + +*++ +++ Angle PHI THR 96 246.00 294.00 15 23.39 64.84 + + +++++++ +*++ ++ Angle PSI THR 96 116.00 146.00 13 21.68 55.72 + ++++ ++++++ + * Angle PHI MET 97 248.00 292.00 17 23.56 68.37 ++++*++++++ ++++++ Angle PSI MET 97 120.00 166.00 16 31.58 112.84 ++++++++ ++++*++ + Angle PHI HIS+ 98 248.00 288.00 10 9.65 40.11 + + ++ +++ + * + Angle PSI HIS+ 98 121.00 149.00 19 48.67 128.07 ++++++ +++++*+++++++ Angle PHI VAL 99 242.00 268.00 17 21.54 63.15 ++++++ ++ +++++++*+ Angle PSI VAL 99 121.00 143.00 17 26.77 78.70 ++++++*+++ ++++++ + Angle PHI ILE 100 227.00 273.00 15 21.35 39.65 + +*+++ ++ ++++++ + Angle PSI ILE 100 113.00 143.00 18 32.16 92.17 ++++++ ++*+++++++++ Angle PHI ILE 101 252.00 274.00 18 27.46 61.43 ++++++++++++++++* + Angle PSI ILE 101 107.00 131.00 12 19.56 93.51 ++ + + + ++++*++ Angle PHI GLN 102 231.00 287.00 12 21.03 99.71 *++ + +++ + ++++ Angle PSI GLN 102 122.00 152.00 10 14.21 61.57 ++ +++* + +++ Angle PHI VAL 105 255.00 287.00 14 11.69 34.53 ++++ + ++++ ++ +*+ Angle PSI VAL 105 109.00 151.00 7 7.91 26.84 + ++* +++ Angle PHI THR 106 251.00 289.00 12 7.66 31.57 + ++ *++ + ++ ++ + Angle PSI THR 106 112.00 150.00 9 6.31 24.26 ++* + + + ++ + 31 violated distance constraints. 110 violated angle constraints. RMSDs for residues 20..123: Average backbone RMSD to mean : 7.57 +/- 0.98 A (5.92..9.22 A) Average heavy atom RMSD to mean : 8.25 +/- 1.06 A (6.41..10.26 A)