Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 311.37 16 0.1215 2.69 278 163.0 0.62 10513.6477 62.33 2 392.85 20 0.1364 2.95 320 178.0 1.04 9715.3621 76.25 3 401.04 28 0.1402 2.38 310 182.4 0.73 10115.0621 54.47 4 412.30 26 0.1374 2.41 358 202.2 1.10 9514.6308 54.96 5 412.56 21 0.1366 3.10 374 203.8 0.77 11016.2122 69.94 6 427.58 22 0.1390 2.45 386 212.1 0.91 9816.4170 66.88 7 430.91 26 0.1352 2.69 345 184.3 0.83 10519.1855 65.96 8 433.89 25 0.1378 2.96 370 212.5 0.86 10016.3610 65.01 9 436.16 18 0.1358 3.30 388 209.9 1.17 9318.2292114.55 10 442.86 26 0.1391 2.89 299 182.3 0.91 10519.4515 67.79 11 443.17 16 0.1376 2.93 403 217.7 0.95 11417.4571 52.98 12 446.65 26 0.1475 6.27 282 176.8 0.75 10917.6056 66.34 13 451.20 23 0.1446 2.58 401 218.3 0.87 9816.0369 70.52 14 455.29 22 0.1459 3.04 390 204.3 0.83 12116.2738 68.55 15 455.68 19 0.1441 3.21 323 190.0 0.99 11018.7362 88.01 16 456.85 30 0.1435 2.79 413 231.2 1.14 9415.1049 52.63 17 460.26 25 0.1456 3.40 410 216.7 0.72 10116.7190 50.10 18 462.17 21 0.1429 3.55 443 235.3 0.92 11316.1048 55.28 19 462.78 22 0.1396 3.62 374 211.3 1.03 10918.9672 76.35 20 464.14 23 0.1407 3.10 372 218.4 0.94 11118.9447 81.54 Ave 432.99 23 0.1396 3.11 362 202.5 0.90 10416.8255 68.02 +/- 34.69 4 0.0055 0.80 45 19.1 0.14 7 1.6358 14.57 Min 311.37 16 0.1215 2.38 278 163.0 0.62 9313.6477 50.10 Max 464.14 30 0.1475 6.27 443 235.3 1.17 12119.4515114.55 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 GLN 16 - HA VAL 31 3.91 14 1.60 1.98 ++*++ +++++ ++ ++ peak 2148 HA VAL 31 - HB ILE 32 HA VAL 31 - HG3 PRO 157 Upper HA HIS 18 - H VAL 75 3.41 6 0.98 2.38 + + ++ *+ peak 49 HA PRO 40 - H VAL 75 HA VAL 43 - H VAL 75 H VAL 75 - HA MET 111 H VAL 75 - HA GLU 129 QD1 LEU 17 - H ARG 52 H ARG 52 - QG2 VAL 71 H ARG 52 - HG13 ILE 119 Upper HD21 ASN 19 - HB VAL 71 3.84 7 1.28 2.75 * + + + ++ + peak 1678 HB VAL 71 - HZ2 TRP 135 QG2 VAL 20 - QG2 ILE 63 QG2 ILE 63 - QG2 VAL 98 QG2 ILE 63 - QD1 ILE 102 Upper HA VAL 20 - HB3 LYS 114 3.67 6 1.09 2.24 + +* + + + peak 1356 HB3 LYS 114 - HA TYR 116 QG1 VAL 22 - HA ARG 54 QG1 VAL 22 - HA ILE 119 QG1 VAL 22 - HA ILE 144 Upper QG1 VAL 20 - HA ARG 54 3.95 6 1.05 2.73 + ++ * + + peak 218 QG2 VAL 22 - HA ARG 54 HA ARG 54 - QG1 VAL 75 HA ARG 54 - QD1 ILE 102 HA ARG 54 - QG2 ILE 119 H ASN 19 - HB THR 80 H ASN 19 - HA GLU 96 H ASN 19 - HA ARG 97 Upper QG2 VAL 20 - H GLY 101 4.08 11 1.34 2.86 ++ + + + ++ + +*+ peak 1010 HG13 ILE 42 - H GLY 101 QD1 ILE 42 - H GLY 101 QG2 THR 46 - H GLY 101 H GLY 101 - QG2 VAL 103 H MET 35 - HA VAL 71 H MET 35 - HA GLN 160 Upper HB2 ASP 30 - H HIS 167 3.36 9 1.30 2.39 * ++ + +++ + + peak 752 HB VAL 31 - H HIS 167 HB2 ASN 33 - H HIS 167 H LEU 55 - HG2 MET 117 HG13 ILE 32 - H LYS 140 HB ILE 42 - H LYS 140 HB ILE 63 - H LYS 140 HG2 ARG 137 - H LYS 140 Upper HA ASN 33 - H ALA 89 3.42 13 1.67 2.79 + ++ +++ + +*++++ peak 467 HA LEU 36 - H ALA 89 HA ASP 37 - H ALA 89 HA ARG 38 - H ALA 89 HB3 LYS 68 - H GLU 85 HG LEU 76 - H GLU 85 H GLU 85 - HB2 GLU 105 H GLU 85 - HB3 ARG 137 Upper HB3 ASP 37 - HD21 ASN 162 3.57 7 1.24 3.30 ++ + * + + + peak 33 HB3 ASN 86 - HD21 ASN 162 H GLY 78 - H ALA 112 H GLY 101 - H ALA 112 Upper HD3 PRO 40 - H LEU 47 3.88 8 1.30 2.37 ++ + *+ + + + peak 15 H LEU 47 - HA3 GLY 49 H LEU 47 - HD3 PRO 124 H ALA 45 - H ARG 104 H GLN 51 - H ARG 104 H THR 99 - H ARG 104 Upper HA GLU 41 - HB ILE 42 4.32 6 1.23 2.00 + ++ * ++ peak 271 HB ILE 42 - HA ASP 88 HB ILE 42 - HA GLU 105 Upper HA GLU 41 - HB2 LEU 84 3.63 6 1.20 3.55 +++ + *+ peak 1098 HB2 LEU 84 - HA ALA 89 HB2 LEU 84 - HA LYS 121 HB2 LEU 84 - HA LEU 138 HB2 LEU 84 - HA PHE 143 H GLU 85 - HG3 GLU 145 H GLU 85 - HG3 GLU 152 H VAL 90 - HG3 GLU 152 H TRP 135 - HG3 GLU 145 Upper HA SER 44 - HA2 GLY 159 4.21 6 1.12 2.96 *+ + + + + peak 502 HA SER 44 - HA3 GLY 161 HA PRO 48 - HA2 GLY 159 HA PRO 48 - HA3 GLY 161 HD2 HIS 18 - HZ3 TRP 118 Upper HA THR 46 - H THR 115 3.66 9 1.40 2.16 + ++ ++ *+ ++ peak 465 HA2 GLY 101 - H THR 115 HA VAL 113 - H THR 115 HG3 GLU 67 - H GLU 85 H GLU 85 - HG3 GLU 105 H GLU 85 - HG2 MET 151 H GLU 85 - HG2 GLU 152 Upper HA THR 46 - H THR 115 3.14 16 1.92 2.69 ++++ +++++ +++*+ ++ peak 1575 HA2 GLY 101 - H THR 115 HA VAL 113 - H THR 115 HB3 GLN 51 - HD2 LYS 141 Upper HB THR 46 - QD PHE 50 3.65 9 1.31 2.69 ++ +*++ ++ + peak 1896 QD PHE 50 - HA LEU 87 QD PHE 50 - HA VAL 90 QD PHE 50 - HD2 PRO 157 H HIS 5 - HA GLU 94 H VAL 43 - HA GLU 94 H LEU 84 - HA GLU 94 Upper HD2 PRO 48 - HB2 LEU 138 4.23 9 1.30 2.49 +* ++ + + +++ peak 1610 HB2 LEU 138 - HA LYS 140 HB2 LEU 138 - HA LYS 141 HA VAL 34 - HD21 ASN 162 HA GLU 83 - HD21 ASN 162 HA ARG 137 - HD21 ASN 162 Upper HD2 PRO 48 - HB3 LEU 138 4.35 14 1.95 2.92 ++++* ++++ ++ +++ peak 1150 HB THR 99 - HB3 LEU 138 HB3 LEU 138 - HA LYS 140 HA GLN 51 - H VAL 90 HA SER 66 - H VAL 90 HA VAL 71 - H VAL 90 Upper HG LEU 76 - HA LYS 148 3.36 7 1.27 2.79 + + * + + ++ peak 622 HB2 GLU 105 - HA LYS 148 HB3 ARG 137 - HA LYS 148 HB3 LYS 141 - HA LYS 148 H VAL 64 - HG3 GLU 85 HG3 GLU 85 - H GLU 133 Upper HA GLU 83 - HB2 LEU 84 3.52 14 1.69 2.57 ++++++++ ++* +++ peak 2109 HB2 LEU 84 - HA ARG 137 HA ARG 137 - HD3 LYS 148 Upper QD1 LEU 87 - HB VAL 100 3.52 14 1.68 3.10 ++++*+ ++ + + ++ ++ peak 1290 QD1 LEU 87 - HB ILE 150 QD1 LEU 87 - HB2 PRO 157 H ILE 32 - H LYS 140 H GLU 129 - H LYS 140 VdW CG1 VAL 20 - C VAL 20 2.90 6 0.10 0.33 + * + + + + VdW O VAL 20 - HA VAL 75 2.30 6 0.18 0.96 * ++ ++ + VdW HA PHE 21 - O LYS 74 2.30 7 0.19 0.96 + +++ +* + VdW CB ASP 28 - CD PRO 29 3.20 6 0.11 0.37 * + + + + + VdW O VAL 31 - N VAL 34 2.75 6 0.11 0.42 +* + + + + VdW CG2 ILE 32 - CD1 ILE 32 3.00 11 0.20 0.33 + ++ ++++ + * + + VdW O ASN 33 - HA ASP 37 2.30 8 0.20 0.73 ++*+++ + + VdW O LEU 36 - CB ASP 37 2.90 7 0.17 0.59 * + + ++ ++ VdW O ASP 37 - CB ARG 38 2.90 6 0.14 0.55 + + + * ++ VdW HA THR 39 - CD PRO 40 2.60 19 0.26 0.30 +++++++++++*+ ++++++ VdW O PRO 40 - N ILE 42 2.75 8 0.17 0.50 + + + +*++ + VdW CG1 ILE 42 - C ILE 42 2.90 8 0.17 0.33 ++ + +++ * + VdW CG1 ILE 42 - N VAL 43 3.05 6 0.12 0.54 ++++ +* VdW CG2 THR 46 - C THR 46 2.90 7 0.11 0.32 * + + + ++ + VdW C THR 46 - CD PRO 48 3.10 8 0.15 0.49 + +++ ++ *+ VdW C THR 46 - HD3 PRO 48 2.50 7 0.15 0.43 + ++ ++ *+ VdW O THR 46 - CD PRO 48 2.90 9 0.21 0.57 + + +++ +* + + VdW O THR 46 - HD2 PRO 48 2.30 7 0.13 0.51 + ++ ++ *+ VdW CG LEU 47 - O LEU 47 2.90 10 0.24 0.64 +*+ + ++ ++ ++ VdW HG LEU 47 - O LEU 47 2.30 7 0.15 0.72 ++ ++ ++ * VdW CD1 LEU 47 - O LEU 47 2.90 6 0.18 0.79 + ++* + + VdW CD2 LEU 47 - C LEU 47 3.10 8 0.16 0.46 +*+ + ++ + + VdW O GLY 49 - HA PRO 65 2.30 8 0.19 0.70 + + +* ++ + + VdW O PHE 50 - HA3 GLY 69 2.30 6 0.15 0.81 + ++ + * + VdW N GLN 51 - O VAL 64 2.75 13 0.33 0.92 ++ ++ + +++++*++ VdW CB GLN 51 - CB SER 66 3.20 6 0.11 0.52 + +++ *+ VdW CG GLN 51 - C GLN 51 2.90 6 0.12 0.24 ++ + * + + VdW HG3 GLN 51 - C GLN 51 2.50 7 0.14 0.44 + ++* ++ + VdW O GLN 51 - HA ILE 63 2.30 13 0.27 0.72 + ++ +++ ++ +++ +* VdW O GLN 51 - CD1 ILE 63 2.90 6 0.08 0.33 ++ + ++ * VdW O GLN 51 - N VAL 64 2.75 12 0.21 0.41 +++++ + ++ + + +* VdW O GLN 51 - H VAL 64 1.80 10 0.18 0.37 + +++ ++ + * ++ VdW CG ARG 52 - O ARG 52 2.90 7 0.12 0.33 + * +++ + + VdW N CYS 62 - SG CYS 62 3.05 7 0.10 0.26 + *+ + ++ + VdW CG2 ILE 63 - C ILE 63 2.90 9 0.16 0.31 + + + *++ +++ VdW C SER 66 - H LYS 68 2.45 8 0.18 0.54 * + + +++++ VdW CA LEU 76 - CD1 LEU 76 3.00 6 0.08 0.26 * ++ ++ + VdW CG2 VAL 79 - N THR 80 3.05 7 0.12 0.41 + +++ + + * VdW C LEU 84 - H ASN 86 2.45 6 0.12 0.54 ++ * ++ + VdW HA GLU 85 - CB ALA 89 2.60 8 0.19 0.74 + * ++ + ++ + VdW C ASP 88 - N VAL 90 2.95 6 0.12 0.33 + + + * + + VdW C ASP 88 - H VAL 90 2.45 6 0.12 0.37 + + + * + + VdW O ASP 88 - N VAL 90 2.75 7 0.12 0.46 + + + * + + + VdW H VAL 90 - CG2 VAL 90 2.55 6 0.12 0.45 ++ + ++ * VdW O VAL 90 - CB GLU 91 2.90 7 0.17 0.59 + + +++* + VdW CG1 VAL 100 - N GLY 101 3.05 7 0.13 0.44 + +*++++ VdW CD1 ILE 102 - C ILE 102 3.10 9 0.17 0.48 ++ + ++ + +*+ VdW CD1 ILE 102 - N VAL 103 3.05 7 0.14 0.46 ++ + *+ + + VdW N VAL 103 - CG2 VAL 103 2.85 6 0.09 0.24 + + +* + + VdW O VAL 103 - C ARG 104 2.80 6 0.11 0.48 + * +++ + VdW O VAL 103 - O ARG 104 2.60 10 0.30 0.87 + ++++*+ ++ + VdW O VAL 103 - HA ASN 107 2.30 7 0.12 0.34 ++ + +++ * VdW N TYR 116 - CD1 TYR 116 3.05 6 0.16 0.62 + * + ++ + VdW N ILE 119 - CD1 ILE 119 3.05 8 0.19 0.61 + * + + ++ ++ VdW O ASN 120 - CB LYS 121 2.90 7 0.11 0.41 * +++ + + + VdW O LYS 121 - CB ALA 122 2.90 6 0.14 0.49 + +*+ ++ VdW CB ASP 123 - CD PRO 124 3.20 8 0.14 0.43 ++ +* + + + + VdW CB ASP 123 - HD2 PRO 124 2.60 6 0.11 0.46 *+ + + + + VdW C GLU 134 - N LYS 136 2.95 7 0.12 0.34 + + + ++* + VdW O GLU 134 - N LYS 136 2.75 7 0.15 0.46 + + + ++* + VdW CB ARG 137 - H LEU 138 2.55 6 0.10 0.35 ++ ++* + VdW CG ARG 137 - N LEU 138 3.05 6 0.14 0.42 ++ + ++ * VdW CG ARG 137 - H LEU 138 2.55 8 0.23 0.74 + *+ ++ ++ + VdW HG2 ARG 137 - H LEU 138 1.95 6 0.12 0.63 + ++ + + * VdW C LEU 138 - N LYS 140 2.95 9 0.17 0.42 + + + + + +++ * VdW C LEU 138 - H LYS 140 2.45 11 0.28 0.69 +*+ ++ + + +++ + VdW O LEU 138 - N LYS 140 2.75 9 0.25 0.94 + + + + + +++ * VdW O HIS 139 - C LYS 140 2.80 7 0.15 0.47 * ++ ++ ++ VdW C LYS 140 - H LYS 142 2.45 6 0.12 0.64 * + + +++ VdW C PHE 143 - H GLU 145 2.45 6 0.16 0.58 + + + + + * VdW C ILE 144 - N THR 146 2.95 7 0.11 0.31 + ++ *+ + + VdW O ILE 144 - N THR 146 2.75 7 0.15 0.80 + ++ ++ + * VdW O ILE 144 - N PHE 147 2.75 7 0.12 0.42 + + ++ + +* VdW CG2 ILE 150 - C ILE 150 2.90 15 0.24 0.33 ++++ ++*++ +++++ + VdW CG2 ILE 150 - N MET 151 3.05 8 0.14 0.46 + + + +* ++ + VdW HA LYS 156 - CD PRO 157 2.60 6 0.11 0.30 ++ + + * + VdW CB LYS 156 - CD PRO 157 3.20 7 0.09 0.35 + + ++ + * + Angle PHI HIS 18 -140.00 -116.00 9 5.82 16.35 * + + ++++++ Angle PSI HIS 18 139.00 159.00 11 7.84 25.84 +++ ++ *+ + + + + Angle PSI ASN 19 126.00 156.00 7 6.85 35.57 + + + + +* + Angle PHI VAL 20 -132.00 -112.00 17 19.76 51.85 + +++++++ +++++++ +* Angle PSI VAL 20 124.00 144.00 15 13.70 48.81 ++ + ++*++ + ++ ++++ Angle PHI PHE 21 -129.00 -95.00 16 18.08 55.91 ++++ ++ ++++++ +++* Angle PSI PHE 21 124.00 148.00 10 10.17 49.85 + ++++ ++*+ + Angle PHI VAL 22 -139.00 -103.00 13 14.69 43.80 ++ +++ + *+++ +++ Angle PSI VAL 22 135.00 169.00 20 29.01 50.46 ++++++++++++*+++++++ Angle PHI TYR 23 -141.00 -87.00 7 5.72 23.42 + + * ++ ++ Angle PSI TYR 23 130.00 164.00 8 5.86 20.10 ++ * + + ++ + Angle PSI PRO 29 -39.00 -29.00 14 16.14 56.80 +++ +* ++ ++ +++++ Angle PHI ASP 30 -76.00 -56.00 9 10.84 63.31 + * + ++ ++++ Angle PSI ASP 30 -48.00 -28.00 6 6.12 36.04 + + * + ++ Angle PHI VAL 31 -76.00 -56.00 12 11.31 52.17 +++++++ ++ + *+ Angle PSI VAL 31 -53.00 -31.00 13 10.45 36.59 +++ +++++ +++*+ Angle PHI ILE 32 -73.00 -53.00 13 9.57 28.78 +++++++ + +++* + Angle PSI ILE 32 -54.00 -34.00 11 5.69 15.21 +* +++ + ++++ + Angle PHI ASN 33 -74.00 -54.00 8 4.81 24.67 * ++ + ++++ Angle PSI ASN 33 -52.00 -32.00 10 9.41 32.68 *+ ++++ + + + + Angle PHI VAL 34 -81.00 -61.00 11 5.97 16.98 ++++ ++++ + *+ Angle PSI VAL 34 -51.00 -31.00 12 6.98 19.00 ++ ++ *++ +++ + + Angle PHI MET 35 -78.00 -58.00 13 10.07 29.32 ++ +++ +++++ ++* Angle PSI MET 35 -35.00 -15.00 9 6.99 31.36 + +++ + + + *+ Angle PHI LEU 36 -115.00 -83.00 7 3.88 14.27 + +* + + + + Angle PSI LEU 36 -34.00 10.00 8 7.95 30.38 + + + *++ + + Angle PHI THR 39 -125.00 -97.00 11 6.10 17.29 +* + + + +++ + ++ Angle PSI THR 39 120.00 150.00 8 6.78 23.39 + ++ + +++* Angle PSI PRO 40 116.00 150.00 19 15.17 40.97 ++++++* ++++++++++++ Angle PHI ILE 42 -128.00 -98.00 11 10.13 37.44 ++ + + +*++ +++ Angle PSI ILE 42 123.00 143.00 16 15.81 35.89 + +++ + +++++++++*+ Angle PHI VAL 43 -130.00 -110.00 16 18.17 58.15 ++++++ + *+ ++ +++++ Angle PSI VAL 43 120.00 146.00 13 11.08 37.43 ++ + ++++++ +* ++ Angle PHI SER 44 -115.00 -77.00 17 19.94 50.52 +*+++++ + ++ +++++++ Angle PSI SER 44 123.00 143.00 13 14.25 58.12 * +++++ +++++ + + Angle PHI ALA 45 -145.00 -125.00 18 17.77 39.75 ++ + +++++++++++++*+ Angle PSI ALA 45 131.00 157.00 14 17.06 82.00 ++ +++++*++ ++++ Angle PHI THR 46 -134.00 -92.00 6 7.26 42.09 + + ++ +* Angle PSI THR 46 118.00 138.00 14 21.20 114.55 + + +++*++++ + + ++ Angle PHI LEU 47 -131.00 -99.00 7 5.78 40.00 + + *+ +++ Angle PSI LEU 47 94.00 144.00 19 24.76 44.21 ++++*+++ +++++++++++ Angle PSI PRO 48 136.00 156.00 16 20.40 50.10 + +++++ +++++ +*+++ Angle PHI PHE 50 -149.00 -103.00 6 4.18 38.56 + +* + + + Angle PSI PHE 50 145.00 175.00 10 7.65 27.94 + ++ +*+ ++++ Angle PHI GLN 51 -165.00 -141.00 8 4.71 16.71 + ++ +* +++ Angle PSI GLN 51 141.00 167.00 7 6.70 29.83 + ++ + ++ * Angle PHI ARG 52 -141.00 -101.00 16 14.80 34.02 +++ ++*+++++++ + ++ Angle PSI ARG 52 118.00 150.00 11 7.21 27.71 + + * +++ +++ ++ Angle PHI CYS 62 -151.00 -119.00 12 9.94 32.32 ++ + + ++ *+++ + + Angle PSI CYS 62 148.00 170.00 14 11.53 37.92 ++++++ +++++ ++* Angle PHI ILE 63 -151.00 -129.00 18 15.95 44.89 ++++++*++ ++++++ +++ Angle PSI ILE 63 146.00 170.00 11 7.85 31.60 ++ *++ + ++ +++ Angle PHI SER 66 -124.00 -76.00 9 6.14 32.73 + + + + ++ + *+ Angle PSI SER 66 99.00 147.00 6 5.06 34.69 ++ ++ * + Angle PSI GLU 67 -36.00 -14.00 10 8.34 31.79 + * + ++++ +++ Angle PSI LYS 68 1.00 25.00 8 3.71 12.23 + + + +++*+ Angle PHI VAL 71 -144.00 -114.00 10 8.36 26.34 + *+ ++ +++++ Angle PSI VAL 71 120.00 142.00 12 10.70 33.05 ++++ +++ + +++ * Angle PHI LYS 74 -148.00 -128.00 11 8.86 41.12 ++ + +* + ++ +++ Angle PSI LYS 74 146.00 170.00 10 17.66 76.35 +++ + + +++ +* Angle PHI VAL 75 -136.00 -112.00 9 12.37 51.29 + +*+ + + + ++ Angle PSI VAL 75 117.00 149.00 7 6.64 35.08 + ++ + ++ * Angle PHI LEU 76 -116.00 -96.00 15 18.79 42.94 +++ +++ + *+ ++++++ Angle PSI LEU 76 104.00 128.00 12 8.45 25.46 + ++ ++ + + +++ +* Angle PHI MET 77 -128.00 -72.00 6 3.70 15.53 + + ++* + Angle PSI MET 77 120.00 178.00 9 4.71 21.69 + + +* ++ +++ Angle PSI THR 80 159.00 179.00 7 8.44 36.66 + + +++ * + Angle PHI SER 81 -70.00 -50.00 8 3.83 15.68 + + ++ ++ + * Angle PSI SER 81 -48.00 -28.00 8 6.08 23.03 * + + + +++ + Angle PHI ASP 82 -77.00 -57.00 13 9.96 42.63 ++ +++ +++ ++ +* + Angle PSI ASP 82 -52.00 -32.00 8 5.81 36.25 + * + + ++++ Angle PHI GLU 83 -78.00 -58.00 11 7.97 48.78 + + + *+ + + ++ ++ Angle PSI GLU 83 -49.00 -29.00 14 11.88 39.49 ++ ++++ ++++ ++* + Angle PHI LEU 84 -73.00 -53.00 13 9.51 42.12 + +++++ ++*+ + ++ Angle PSI LEU 84 -51.00 -31.00 13 11.79 64.21 + + + +++++ +*++ + Angle PHI GLU 85 -76.00 -56.00 9 7.47 40.21 + + +*+++ + + Angle PSI GLU 85 -52.00 -32.00 14 11.38 31.68 ++ ++ +*++ + ++++ + Angle PHI ASN 86 -76.00 -56.00 16 16.18 88.01 ++++++ +++ +*+++++ Angle PSI ASN 86 -50.00 -30.00 10 10.29 42.10 +*+ + ++ + + ++ Angle PHI LEU 87 -72.00 -52.00 17 24.33 51.00 ++ + ++*+++++++++++ Angle PSI LEU 87 -51.00 -31.00 16 18.51 38.07 + +++* +++++++++ ++ Angle PHI ASP 88 -73.00 -53.00 15 19.28 66.34 + ++++++ ++*++ ++ + Angle PSI ASP 88 -48.00 -28.00 12 13.38 70.52 ++ + +++ * ++++ + Angle PHI ALA 89 -73.00 -53.00 12 7.97 18.80 +* + + +++++ ++ + Angle PSI ALA 89 -52.00 -32.00 16 14.24 76.25 +* +++ +++ +++ +++++ Angle PHI VAL 90 -77.00 -57.00 13 9.16 42.35 +* +++++ + +++ + + Angle PSI VAL 90 -56.00 -32.00 7 5.20 22.96 + +* + + ++ Angle PHI TYR 95 -144.00 -114.00 10 8.95 43.14 *++ ++ + + + + + Angle PSI TYR 95 142.00 162.00 14 23.86 68.55 +++ ++ ++++* +++ + Angle PHI GLU 96 -157.00 -125.00 13 16.29 47.70 + + + +*++++++++ Angle PSI GLU 96 129.00 163.00 12 12.49 41.75 + +++ + +++ ++ + * Angle PHI ARG 97 -112.00 -88.00 12 12.94 56.43 + + ++++++ + ++* Angle PSI ARG 97 115.00 135.00 11 7.20 24.12 ++ ++ ++++ +* + Angle PHI VAL 98 -147.00 -123.00 7 4.61 19.02 + + ++++ * Angle PSI VAL 98 146.00 170.00 15 13.95 49.23 ++++* + ++++++ + ++ Angle PHI THR 99 -108.00 -88.00 11 9.95 51.08 ++ + +++ *++ ++ Angle PSI THR 99 127.00 151.00 15 15.27 37.74 ++++++ ++++ +++* + Angle PHI VAL 100 -148.00 -128.00 11 8.49 25.72 ++ + + + +*++++ Angle PSI VAL 100 149.00 169.00 15 15.60 46.16 ++ + +++ +++*+++ ++ Angle PHI GLY 101 -140.00 -82.00 12 12.67 37.43 + + +++ ++ +*+++ Angle PSI GLY 101 123.00 153.00 14 14.82 45.43 + + + ++ +++++* + ++ Angle PHI ILE 102 -140.00 -120.00 13 9.34 23.64 + +++ + +++++ *++ Angle PSI ILE 102 136.00 160.00 14 10.82 29.17 +++++ + ++*+ +++ + Angle PHI VAL 103 -130.00 -84.00 11 9.82 35.69 + +++ + ++ * +++ Angle PSI VAL 103 108.00 152.00 13 17.55 52.92 + ++ +* ++++ + ++ + Angle PHI GLU 105 -69.00 -49.00 6 3.27 12.96 + + * + + + Angle PSI GLU 105 -55.00 -35.00 18 14.83 27.61 +++ +++*+ ++++++++++ Angle PHI ASP 106 -81.00 -55.00 9 4.85 18.58 + +* + ++ + ++ Angle PHI SER 108 -88.00 -50.00 8 5.45 21.82 + ++ + ++ + * Angle PHI LYS 110 -109.00 -67.00 13 8.94 32.01 +++ ++ +++ *++++ Angle PSI LYS 110 125.00 147.00 13 10.79 32.95 ++ ++ ++ +++ +*+ + Angle PHI MET 111 -157.00 -93.00 10 6.43 30.53 + + +++++ ++* Angle PSI MET 111 134.00 160.00 13 13.14 32.68 ++ ++*+++ ++++ + Angle PHI ALA 112 -119.00 -87.00 14 17.10 62.33 *+ ++ + +++ ++++ ++ Angle PSI ALA 112 118.00 144.00 12 10.02 31.13 ++ +++ +*++ + ++ Angle PHI VAL 113 -146.00 -126.00 12 10.55 34.50 ++ + ++++*+++ + Angle PSI VAL 113 147.00 173.00 15 18.94 47.55 + +++*+++++++++ + Angle PHI LYS 114 -141.00 -95.00 13 18.71 54.96 +*++++++++++ + Angle PSI LYS 114 134.00 164.00 16 28.56 69.94 ++++*++ ++ +++ ++++ Angle PHI THR 115 -156.00 -112.00 15 15.24 41.88 + +++++ +*++++ +++ Angle PSI THR 115 123.00 171.00 12 16.36 58.02 + +++*+ ++ ++ ++ Angle PHI TYR 116 -125.00 -97.00 12 15.92 67.79 ++ + +++*+ ++ ++ Angle PSI TYR 116 109.00 139.00 8 7.93 33.77 + +* + ++ ++ Angle PHI MET 117 -141.00 -103.00 13 16.64 50.01 +++++ +++ + *++ + Angle PSI MET 117 113.00 151.00 14 13.56 30.68 + +++ ++* + ++++++ Angle PHI TRP 118 -103.00 -65.00 10 10.96 50.58 ++ +* ++ + ++ + Angle PSI TRP 118 113.00 153.00 11 10.22 41.53 + * + +++ ++ ++ + Angle PHI ILE 119 -78.00 -50.00 15 18.82 54.46 ++++++ *+ ++ ++ +++ Angle PSI ILE 119 -43.00 -21.00 13 13.08 46.84 + +++*++ + ++ +++ Angle PHI ASN 120 -107.00 -79.00 14 15.25 45.71 +++ ++ +* +++++ ++ Angle PSI ASN 120 -9.00 11.00 12 10.69 37.66 ++ ++*+ ++++ + + Angle PHI PHE 132 -73.00 -53.00 7 5.74 33.55 + + + + *++ Angle PSI PHE 132 -54.00 -34.00 11 10.65 40.09 +++ + ++ +* + ++ Angle PHI GLU 133 -73.00 -53.00 9 7.69 26.78 +++ + + + + * + Angle PSI GLU 133 -49.00 -29.00 14 11.78 43.43 + ++++ +++ *+++ ++ Angle PHI GLU 134 -77.00 -57.00 9 7.52 64.18 + ++++ + * + + Angle PSI GLU 134 -50.00 -30.00 14 18.08 50.04 ++ +*++ + + ++++++ Angle PHI TRP 135 -74.00 -54.00 15 13.47 50.92 + + +++++*++ +++++ Angle PSI TRP 135 -52.00 -32.00 13 16.21 43.53 ++++ + ++ +++* + + Angle PHI LYS 136 -72.00 -52.00 11 9.76 35.60 ++ + ++ + ++* ++ Angle PSI LYS 136 -49.00 -29.00 14 16.36 54.47 ++* + ++++++ ++ ++ Angle PHI ARG 137 -74.00 -54.00 14 14.90 52.11 +*++++ ++ ++ + +++ Angle PSI ARG 137 -51.00 -31.00 18 27.22 55.28 ++++ +++++++ ++++*++ Angle PHI LEU 138 -91.00 -71.00 16 25.35 59.23 ++++++ ++ + +++++*+ Angle PSI LEU 138 -45.00 -15.00 13 15.99 52.98 ++++ ++ *+ + ++ ++ Angle PHI HIS 139 -115.00 -77.00 18 27.31 81.54 ++ +++ ++++++++++++* Angle PSI HIS 139 -37.00 5.00 13 16.18 50.40 + +++*++ ++ +++ + Angle PHI LYS 140 -70.00 -50.00 16 15.26 42.46 + +*+++ +++ +++++++ Angle PSI LYS 140 -53.00 -33.00 7 12.35 51.84 + *+ ++ + + Angle PHI LYS 141 -75.00 -55.00 13 11.51 54.43 + *++++++ +++ ++ Angle PSI LYS 141 -50.00 -30.00 14 17.00 57.57 + + +++ +*++ + ++++ Angle PHI LYS 142 -75.00 -55.00 12 14.83 61.46 + + + + *++ + ++++ Angle PSI LYS 142 -51.00 -31.00 13 14.94 44.12 + ++ +++ *+ ++ ++ + Angle PHI PHE 143 -76.00 -56.00 15 15.77 42.15 ++++ +++*++ ++++ + Angle PSI PHE 143 -53.00 -33.00 12 12.56 42.31 + ++ ++ +* + +++ + Angle PHI ILE 144 -73.00 -53.00 10 9.02 36.08 * ++++ + ++++ Angle PSI ILE 144 -54.00 -34.00 18 21.86 52.63 +++++ +++++++++* +++ Angle PHI GLU 145 -72.00 -52.00 15 13.12 51.90 + +++ +++ ++++++ +* Angle PSI GLU 145 -51.00 -31.00 7 5.56 30.68 ++ + + + *+ Angle PHI THR 146 -81.00 -61.00 11 7.72 22.57 + *+ + +++ +++ + Angle PSI THR 146 -49.00 -29.00 8 5.03 19.90 +++ ++* + + Angle PHI PHE 147 -76.00 -56.00 10 9.89 30.92 + ++*+++ + + + Angle PHI LYS 148 -74.00 -54.00 12 9.10 37.02 +++ +*+ +++ ++ + Angle PSI LYS 148 -49.00 -29.00 8 5.32 24.22 + ++++ * + + Angle PHI LYS 149 -74.00 -54.00 8 6.60 29.17 * ++ ++ +++ Angle PSI LYS 149 -49.00 -29.00 16 12.31 31.99 ++++* +++++ +++++ + Angle PHI ILE 150 -74.00 -54.00 10 6.23 24.40 + ++++ + + *+ + Angle PSI ILE 150 -52.00 -32.00 9 5.44 17.43 + + + + + + +*+ Angle PHI MET 151 -76.00 -56.00 7 3.74 11.61 ++ + + + + * Angle PHI GLU 152 -76.00 -56.00 11 5.34 16.31 +++ + +++*++ + Angle PHI CYS 153 -71.00 -51.00 8 3.90 11.94 + + +*+ + ++ Angle PSI CYS 153 -52.00 -32.00 6 6.90 34.03 + +* ++ + Angle PSI LYS 154 -44.00 -20.00 8 4.13 19.15 + + ++ +++* 21 violated distance constraints. 173 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.67 +/- 1.42 A (6.36..11.70 A) Average heavy atom RMSD to mean : 9.26 +/- 1.34 A (7.05..12.20 A)