#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez n SER 2 N 0.00 0.78 -4.06 1.61 7.64 -1.26 -4.86 113.62 113.47 1wez n SER 2 Ca 0.00 0.17 -0.32 0.00 1.01 0.00 0.00 58.87 59.73 1wez n SER 2 Cb 0.00 -0.19 -0.16 0.00 -1.01 0.00 0.00 64.21 62.86 1wez n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wez s SER 3 N -5.72 3.71 0.40 6.43 1.04 -1.26 -5.03 113.70 113.27 1wez s SER 3 Ca 0.00 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1wez s SER 3 Cb 0.00 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.70 1wez s SER 3 CO 0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1wez n GLY 4 N 4.57 -3.51 2.40 7.32 0.00 -1.26 -5.00 105.19 109.71 1wez n GLY 4 Ca -0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 1wez n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wez n SER 5 N -2.59 -6.20 -4.35 1.61 7.64 -1.26 -3.89 113.62 104.58 1wez n SER 5 Ca -0.02 0.70 -0.33 0.00 1.01 0.00 0.00 58.87 60.23 1wez n SER 5 Cb 0.36 -4.06 0.11 0.00 -1.01 0.00 0.00 64.21 59.60 1wez n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wez n SER 6 N 0.08 -2.70 -4.46 6.43 2.88 -1.26 -0.05 113.62 114.54 1wez n SER 6 Ca 0.04 0.31 -0.43 0.00 -1.33 0.00 0.00 58.87 57.46 1wez n SER 6 Cb 0.16 -1.14 -0.04 0.00 -0.75 0.00 0.00 64.21 62.43 1wez n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wez s GLY 7 N -1.86 1.51 -0.30 0.46 0.00 -1.26 -4.19 107.32 101.68 1wez s GLY 7 Ca 0.54 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.58 1wez s GLY 7 CO 0.70 1.89 0.46 -0.45 0.00 0.00 0.00 173.10 175.70 1wez s SER 8 N 3.27 -0.17 -0.24 1.64 0.15 -1.26 -4.99 113.70 112.10 1wez s SER 8 Ca 0.22 -0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.24 1wez s SER 8 Cb -0.17 1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 65.47 1wez s SER 8 CO 0.12 -0.33 1.55 -0.55 1.20 0.00 0.00 173.24 175.24 1wez s SER 9 N 2.51 6.44 0.52 5.45 0.15 -1.26 -4.99 113.70 122.53 1wez s SER 9 Ca 0.10 1.54 -0.13 0.00 0.70 0.00 0.00 55.95 58.16 1wez s SER 9 Cb -0.11 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1wez s SER 9 CO -0.26 -1.22 0.95 0.12 1.20 0.00 0.00 173.24 174.03 1wez s PHE 10 N 5.02 3.51 -0.02 3.44 5.36 -1.26 -5.09 117.98 128.95 1wez s PHE 10 Ca 0.68 1.31 -0.04 0.00 -0.96 0.00 0.00 56.93 57.92 1wez s PHE 10 Cb -0.23 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.76 1wez s PHE 10 CO 0.28 -0.40 0.10 -1.14 -1.46 0.00 0.00 175.22 172.59 1wez s GLN 11 N -4.35 0.27 -0.52 10.12 -0.44 -1.26 -5.12 119.66 118.36 1wez s GLN 11 Ca 0.56 -0.15 -0.18 0.00 -2.50 0.00 0.00 55.36 53.09 1wez s GLN 11 Cb -0.10 0.11 0.07 0.00 -1.64 0.00 0.00 33.01 31.46 1wez s GLN 11 CO 0.38 -0.05 0.60 -1.54 0.50 0.00 0.00 175.29 175.17 1wez s SER 12 N -0.65 6.20 0.28 6.67 1.04 -1.26 -5.04 113.70 120.94 1wez s SER 12 Ca -0.07 -1.14 0.10 0.00 0.48 0.00 0.00 55.95 55.31 1wez s SER 12 Cb -0.04 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 1wez s SER 12 CO 0.00 -0.90 -0.04 0.42 0.98 0.00 0.00 173.24 173.71 1wez s THR 13 N 2.42 3.14 -0.08 2.02 -4.23 -1.26 -4.93 115.64 112.72 1wez s THR 13 Ca 0.12 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1wez s THR 13 Cb -0.22 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.91 1wez s THR 13 CO 0.09 -0.35 0.12 0.35 -0.54 0.00 0.00 174.62 174.28 1wez n THR 14 N -0.86 -8.64 -0.28 3.99 -2.24 -1.26 -4.64 114.28 100.36 1wez n THR 14 Ca -0.06 1.87 0.33 0.00 -2.27 0.00 0.00 64.05 63.93 1wez n THR 14 Cb 0.60 -4.90 0.66 0.00 -2.10 0.00 0.00 70.33 64.58 1wez n THR 14 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wez h GLY 15 N 4.40 0.00 -6.24 3.38 0.00 -1.91 -3.35 103.07 99.36 1wez h GLY 15 Ca -0.26 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.49 1wez h GLY 15 CO 0.00 0.00 0.76 0.30 0.00 0.00 0.00 176.54 177.61 1wez s HIS 16 N -4.68 3.03 0.12 5.60 3.76 -1.26 -3.70 115.29 118.16 1wez s HIS 16 Ca -0.04 0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 55.71 1wez s HIS 16 Cb 0.19 -3.88 -0.03 0.00 1.11 0.00 0.00 32.58 29.98 1wez s HIS 16 CO 0.65 -0.93 0.12 0.00 -0.85 0.00 0.00 174.74 173.73 1wez s VAL 18 N -3.98 0.95 0.04 0.00 1.01 -0.86 -0.64 120.40 116.92 1wez s VAL 18 Ca 0.17 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 1wez s VAL 18 Cb 0.06 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1wez s VAL 18 CO -0.02 0.23 0.77 -2.28 0.00 0.00 0.00 175.10 173.79 1wez s HIS 19 N 1.72 3.73 -0.05 5.22 2.46 -0.79 -1.62 115.29 125.95 1wez s HIS 19 Ca 0.03 1.47 0.05 0.00 0.47 0.00 0.00 55.06 57.08 1wez s HIS 19 Cb -0.14 -2.83 -0.02 0.00 -0.13 0.00 0.00 32.58 29.46 1wez s HIS 19 CO -0.08 0.25 -0.18 -1.64 -2.47 0.00 0.00 174.74 170.63 1wez s MET 20 N 0.02 2.46 -0.05 2.88 -1.94 0.11 -1.50 119.30 121.27 1wez s MET 20 Ca 0.39 -0.76 -0.12 0.00 -1.71 0.00 0.00 55.69 53.49 1wez s MET 20 Cb -0.20 -2.30 0.02 0.00 2.01 0.00 0.00 34.83 34.36 1wez s MET 20 CO 0.23 0.58 0.28 1.03 -0.01 0.00 0.00 175.02 177.13 1wez s ARG 21 N -0.62 0.52 -0.55 2.03 0.52 -0.63 -1.82 118.95 118.41 1wez s ARG 21 Ca 0.09 0.02 -0.02 0.00 -0.52 0.00 0.00 55.73 55.30 1wez s ARG 21 Cb -0.11 0.24 -0.02 0.00 0.52 0.00 0.00 34.95 35.57 1wez s ARG 21 CO 0.01 -0.12 0.47 0.41 0.02 0.00 0.00 175.30 176.09 1wez n GLY 22 N 1.94 -0.07 3.94 -3.53 0.00 -0.31 0.64 105.19 107.80 1wez n GLY 22 Ca -0.18 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1wez n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wez s LEU 23 N -4.19 4.14 0.49 0.99 1.43 0.83 -3.56 118.68 118.82 1wez s LEU 23 Ca 0.16 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.44 1wez s LEU 23 Cb -0.02 -3.20 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 1wez s LEU 23 CO 0.37 -0.16 1.04 -2.16 0.23 0.00 0.00 176.35 175.66 1wez s PRO 24 N -3.87 3.77 0.00 1.29 0.04 -1.26 -4.58 135.00 130.39 1wez s PRO 24 Ca 0.39 1.34 0.08 0.00 0.04 0.00 0.00 61.00 62.85 1wez s PRO 24 Cb -0.10 -2.09 0.35 0.00 0.04 0.00 0.00 34.50 32.70 1wez s PRO 24 CO 0.32 -0.45 1.25 0.98 0.04 0.00 0.00 177.00 179.13 1wez n TYR 25 N -1.05 0.00 -2.16 0.56 9.36 -1.26 -1.97 117.16 120.64 1wez n TYR 25 Ca 0.09 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.06 1wez n TYR 25 Cb 0.53 -0.48 0.01 0.00 -0.63 0.00 0.00 39.34 38.77 1wez n TYR 25 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1wez n ARG 26 N -1.48 3.54 -4.53 2.98 1.74 -1.26 -4.93 116.66 112.72 1wez n ARG 26 Ca 0.02 -4.26 -0.34 0.00 -0.77 0.00 0.00 57.85 52.50 1wez n ARG 26 Cb 0.09 -2.26 -0.12 0.00 -1.02 0.00 0.00 32.46 29.15 1wez n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wez s ALA 27 N -3.58 2.94 0.12 7.54 0.00 -0.83 -5.06 121.76 122.89 1wez s ALA 27 Ca 0.50 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1wez s ALA 27 Cb 0.41 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1wez s ALA 27 CO -0.03 0.34 -0.11 -0.08 0.00 0.00 0.00 175.76 175.88 1wez s THR 28 N -0.03 1.16 0.28 0.00 -1.32 -1.26 -4.99 115.64 109.48 1wez s THR 28 Ca 0.00 -1.82 -0.06 0.00 -1.21 0.00 0.00 61.69 58.60 1wez s THR 28 Cb -0.13 -1.59 0.41 0.00 -1.51 0.00 0.00 72.50 69.68 1wez s THR 28 CO 0.03 -0.58 1.57 -0.33 -2.21 0.00 0.00 174.62 173.11 1wez h GLU 29 N 3.26 0.01 -0.71 7.08 5.08 -1.98 1.28 114.58 128.60 1wez h GLU 29 Ca -0.38 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1wez h GLU 29 Cb 1.19 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 1wez h GLU 29 CO 0.56 0.01 0.16 -0.97 -1.00 0.00 0.00 179.01 177.76 1wez h ASN 30 N 0.01 -0.01 -0.41 1.42 -1.24 -1.98 1.39 115.58 114.76 1wez h ASN 30 Ca 0.49 0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.58 1wez h ASN 30 Cb 0.84 0.20 -0.02 0.00 0.73 0.00 0.00 38.32 40.08 1wez h ASN 30 CO -0.94 -0.04 0.01 0.44 -1.29 0.00 0.00 177.43 175.61 1wez h ASP 31 N 0.26 0.70 -0.58 1.15 3.32 0.11 -1.83 116.42 119.55 1wez h ASP 31 Ca 0.40 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1wez h ASP 31 Cb 0.67 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1wez h ASP 31 CO -0.50 0.83 0.30 0.40 -1.72 0.00 0.00 179.24 178.55 1wez h ILE 32 N 0.56 1.20 -0.68 0.35 2.04 0.23 1.37 117.51 122.56 1wez h ILE 32 Ca 0.12 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1wez h ILE 32 Cb 0.46 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1wez h ILE 32 CO 0.02 0.23 0.19 1.88 0.00 0.00 0.00 178.15 180.47 1wez h TYR 33 N 0.85 1.10 0.09 1.37 0.05 0.21 -1.83 116.97 118.82 1wez h TYR 33 Ca 0.21 -0.11 -0.28 0.00 0.05 0.00 0.00 58.73 58.60 1wez h TYR 33 Cb 0.07 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 1wez h TYR 33 CO 0.01 0.88 -1.36 -0.97 -1.05 0.00 0.00 178.16 175.67 1wez h ASN 34 N 1.02 0.30 0.31 3.88 -0.73 -0.53 -2.41 115.58 117.43 1wez h ASN 34 Ca 0.22 -0.38 0.00 0.00 1.87 0.00 0.00 56.30 58.01 1wez h ASN 34 Cb 0.32 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1wez h ASN 34 CO -0.00 1.31 0.00 0.15 -0.37 0.00 0.00 177.43 178.51 1wez h PHE 35 N 0.05 0.00 0.00 0.67 3.57 0.21 -1.26 116.94 120.18 1wez h PHE 35 Ca -0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1wez h PHE 35 Cb 1.96 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.70 1wez h PHE 35 CO 0.05 0.00 -0.67 1.19 -2.23 0.00 0.00 178.31 176.65 1wez n PHE 36 N -2.38 0.00 -1.59 0.41 3.72 -0.71 -4.72 117.46 112.20 1wez n PHE 36 Ca -0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1wez n PHE 36 Cb 0.12 -0.05 0.07 0.00 -0.94 0.00 0.00 39.48 38.68 1wez n PHE 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1wez s SER 37 N -2.18 4.78 -0.21 4.37 0.01 -0.48 -3.64 113.70 116.35 1wez s SER 37 Ca 0.02 2.04 -0.29 0.00 1.31 0.00 0.00 55.95 59.03 1wez s SER 37 Cb 0.07 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1wez s SER 37 CO 0.41 -1.85 1.30 -2.16 0.41 0.00 0.00 173.24 171.34 1wez s PRO 38 N -4.21 4.11 0.23 12.44 0.04 -1.26 -4.99 135.00 141.36 1wez s PRO 38 Ca 0.67 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 63.04 1wez s PRO 38 Cb -0.21 -3.82 0.06 0.00 0.04 0.00 0.00 34.50 30.56 1wez s PRO 38 CO 0.45 -0.87 0.89 -0.51 0.04 0.00 0.00 177.00 177.01 1wez s LEU 39 N 3.86 -0.12 -0.35 -3.56 1.43 -1.24 -5.03 118.68 113.67 1wez s LEU 39 Ca 0.56 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1wez s LEU 39 Cb -0.20 2.40 0.13 0.00 0.03 0.00 0.00 46.19 48.55 1wez s LEU 39 CO 0.18 -1.17 0.20 0.21 0.23 0.00 0.00 176.35 176.00 1wez s ASN 40 N -3.06 3.13 -0.06 2.29 3.84 -1.26 -5.02 114.94 114.79 1wez s ASN 40 Ca 0.15 -2.10 -0.30 0.00 0.21 0.00 0.00 52.86 50.82 1wez s ASN 40 Cb -0.03 -0.46 -0.03 0.00 -0.55 0.00 0.00 41.25 40.17 1wez s ASN 40 CO 0.06 -0.32 1.22 -2.16 -2.79 0.00 0.00 177.10 173.10 1wez s PRO 41 N 1.15 4.33 0.28 0.43 0.04 -1.26 -4.78 135.00 135.19 1wez s PRO 41 Ca 0.17 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1wez s PRO 41 Cb -0.22 -3.58 0.55 0.00 0.04 0.00 0.00 34.50 31.29 1wez s PRO 41 CO -0.05 -0.48 1.84 0.52 0.04 0.00 0.00 177.00 178.87 1wez h MET 42 N 7.56 0.98 -1.74 4.56 2.86 0.18 -3.43 114.93 125.90 1wez h MET 42 Ca -0.34 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.29 1wez h MET 42 Cb 1.16 -0.22 -0.24 0.00 0.06 0.00 0.00 31.60 32.35 1wez h MET 42 CO 0.89 0.65 0.29 1.03 1.06 0.00 0.00 176.91 180.83 1wez s ARG 43 N -5.96 0.58 -0.30 1.72 0.52 -1.19 -4.96 118.95 109.36 1wez s ARG 43 Ca -0.12 0.81 0.01 0.00 -0.52 0.00 0.00 55.73 55.91 1wez s ARG 43 Cb 0.22 0.22 0.07 0.00 0.52 0.00 0.00 34.95 35.98 1wez s ARG 43 CO 0.81 -0.09 -0.02 0.08 0.02 0.00 0.00 175.30 176.10 1wez s VAL 44 N 0.77 2.55 0.06 3.52 1.01 -1.26 0.32 120.40 127.37 1wez s VAL 44 Ca -0.03 -1.73 -0.24 0.00 0.00 0.00 0.00 61.98 59.99 1wez s VAL 44 Cb -0.05 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 1wez s VAL 44 CO -0.09 -0.22 0.72 -2.28 0.00 0.00 0.00 175.10 173.23 1wez s HIS 45 N 1.11 3.77 -0.37 5.22 5.04 0.15 -4.91 115.29 125.30 1wez s HIS 45 Ca -0.03 1.44 -0.04 0.00 -1.54 0.00 0.00 55.06 54.89 1wez s HIS 45 Cb -0.20 -2.74 0.08 0.00 0.04 0.00 0.00 32.58 29.76 1wez s HIS 45 CO -0.04 0.36 0.14 0.42 -2.34 0.00 0.00 174.74 173.28 1wez s ILE 46 N -0.39 3.37 0.07 0.89 -1.09 -1.26 -1.19 121.20 121.60 1wez s ILE 46 Ca 0.36 -1.66 -0.31 0.00 -2.23 0.00 0.00 60.65 56.81 1wez s ILE 46 Cb -0.20 -3.12 -0.09 0.00 -1.58 0.00 0.00 42.46 37.46 1wez s ILE 46 CO 0.22 -0.43 1.79 -0.70 -1.23 0.00 0.00 174.94 174.59 1wez s GLU 47 N 1.24 4.16 0.13 2.79 2.12 -1.19 -4.99 118.70 122.97 1wez s GLU 47 Ca 0.02 2.48 0.06 0.00 0.36 0.00 0.00 54.97 57.90 1wez s GLU 47 Cb -0.21 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 1wez s GLU 47 CO -0.02 -0.83 -0.02 0.42 -0.54 0.00 0.00 175.26 174.27 1wez s ILE 48 N 3.17 3.73 0.60 -3.70 -1.09 -1.26 -3.08 121.20 119.57 1wez s ILE 48 Ca 0.80 -1.25 -0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1wez s ILE 48 Cb -0.42 -2.81 0.13 0.00 -1.58 0.00 0.00 42.46 37.77 1wez s ILE 48 CO 0.36 0.01 0.82 0.61 -1.23 0.00 0.00 174.94 175.51 1wez n GLY 49 N 0.29 -0.19 2.33 6.18 0.00 0.98 -4.87 105.19 109.91 1wez n GLY 49 Ca -0.11 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 1wez n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wez n PRO 50 N -2.63 2.24 0.02 1.61 -0.04 -1.26 -3.26 135.00 131.68 1wez n PRO 50 Ca 0.12 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1wez n PRO 50 Cb 0.42 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1wez n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wez n ASP 51 N 3.38 -0.38 0.00 3.54 2.03 -1.26 -5.02 116.55 118.84 1wez n ASP 51 Ca 0.48 0.39 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1wez n ASP 51 Cb 0.39 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.47 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wez n GLY 52 N -1.06 1.03 3.59 0.27 0.00 -1.20 -4.93 105.19 102.88 1wez n GLY 52 Ca 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1wez n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wez n ARG 53 N 0.00 0.97 -1.89 1.61 1.74 -1.26 -4.35 116.66 113.48 1wez n ARG 53 Ca 0.00 0.36 -0.31 0.00 -0.77 0.00 0.00 57.85 57.13 1wez n ARG 53 Cb 0.00 -2.04 0.01 0.00 -1.02 0.00 0.00 32.46 29.41 1wez n ARG 53 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wez s VAL 54 N -1.48 4.37 -0.12 1.55 -7.23 -1.26 -0.01 120.40 116.22 1wez s VAL 54 Ca 0.70 0.87 0.20 0.00 -1.81 0.00 0.00 61.98 61.94 1wez s VAL 54 Cb -0.47 -3.65 -0.28 0.00 0.56 0.00 0.00 36.38 32.55 1wez s VAL 54 CO 0.52 -0.91 0.33 0.35 -0.31 0.00 0.00 175.10 175.07 1wez n THR 55 N -2.58 0.75 0.00 5.32 -2.24 -1.18 -4.76 114.28 109.59 1wez n THR 55 Ca 0.07 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1wez n THR 55 Cb 0.54 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1wez n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wez n GLY 56 N 1.50 0.91 3.73 3.38 0.00 -1.26 -4.78 105.19 108.66 1wez n GLY 56 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1wez n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wez s GLU 57 N -0.44 2.64 0.02 1.61 2.02 -1.26 -0.12 118.70 123.17 1wez s GLU 57 Ca 0.00 -1.01 -0.13 0.00 0.02 0.00 0.00 54.97 53.85 1wez s GLU 57 Cb 0.00 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.76 1wez s GLU 57 CO 0.00 0.46 0.29 0.00 0.02 0.00 0.00 175.26 176.03 1wez s ALA 58 N -1.78 -0.67 -0.28 5.21 0.00 -0.75 -3.15 121.76 120.34 1wez s ALA 58 Ca 0.29 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1wez s ALA 58 Cb -0.09 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.31 1wez s ALA 58 CO 0.21 -0.34 0.00 -0.51 0.00 0.00 0.00 175.76 175.12 1wez s ASP 59 N -1.74 4.17 0.16 0.00 1.11 -0.33 0.03 116.67 120.07 1wez s ASP 59 Ca -0.09 -1.55 -0.09 0.00 0.18 0.00 0.00 52.55 51.00 1wez s ASP 59 Cb -0.03 -1.26 -0.06 0.00 1.07 0.00 0.00 42.92 42.64 1wez s ASP 59 CO -0.00 -0.31 0.47 -0.69 1.18 0.00 0.00 175.17 175.82 1wez s VAL 60 N 1.29 5.02 -0.15 -1.27 1.01 -0.64 0.30 120.40 125.96 1wez s VAL 60 Ca 0.02 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1wez s VAL 60 Cb -0.19 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1wez s VAL 60 CO -0.10 0.08 -0.19 -1.61 0.00 0.00 0.00 175.10 173.27 1wez s GLU 61 N -2.46 2.81 -0.04 2.72 8.01 0.15 -2.04 118.70 127.85 1wez s GLU 61 Ca 0.41 -0.77 0.07 0.00 0.01 0.00 0.00 54.97 54.69 1wez s GLU 61 Cb -0.13 -2.36 -0.02 0.00 -4.31 0.00 0.00 34.13 27.32 1wez s GLU 61 CO 0.21 -0.11 -0.24 -0.06 0.01 0.00 0.00 175.26 175.07 1wez s PHE 62 N 1.08 2.42 0.04 1.61 0.08 -1.05 0.19 117.98 122.36 1wez s PHE 62 Ca -0.01 -0.51 -0.29 0.00 0.12 0.00 0.00 56.93 56.24 1wez s PHE 62 Cb -0.14 -1.56 -0.17 0.00 -0.57 0.00 0.00 43.02 40.58 1wez s PHE 62 CO -0.07 -0.08 1.40 0.00 -0.10 0.00 0.00 175.22 176.37 1wez h ALA 63 N 5.70 -0.74 -5.36 5.36 0.00 -1.86 -3.39 119.26 118.96 1wez h ALA 63 Ca -0.39 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.07 1wez h ALA 63 Cb 1.15 0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.24 1wez h ALA 63 CO 0.48 -0.83 -0.04 0.25 0.00 0.00 0.00 179.25 179.10 1wez n THR 64 N -5.35 0.00 -0.00 0.00 -2.24 -1.26 -4.79 114.28 100.64 1wez n THR 64 Ca -0.12 -1.03 -0.11 0.00 -2.27 0.00 0.00 64.05 60.51 1wez n THR 64 Cb 0.33 -0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 1wez n THR 64 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1wez h HIS 65 N 0.08 0.13 -0.13 4.78 2.76 -1.96 -3.37 115.15 117.44 1wez h HIS 65 Ca -0.15 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 57.96 1wez h HIS 65 Cb 0.66 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 1wez h HIS 65 CO 0.00 1.17 -0.05 0.93 -1.30 0.00 0.00 177.93 178.68 1wez h GLU 66 N 0.02 -0.02 0.00 5.26 4.39 -1.98 0.22 114.58 122.47 1wez h GLU 66 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1wez h GLU 66 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1wez h GLU 66 CO 0.09 -0.01 0.30 0.22 -1.16 0.00 0.00 179.01 178.45 1wez h ASP 67 N -0.02 0.00 0.00 1.42 1.82 -1.98 0.80 116.42 118.46 1wez h ASP 67 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1wez h ASP 67 Cb 0.13 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.13 1wez h ASP 67 CO -0.15 0.00 -0.35 0.00 -1.61 0.00 0.00 179.24 177.13 1wez h ALA 68 N 1.38 0.01 -0.58 -0.78 0.00 -0.83 -3.21 119.26 115.25 1wez h ALA 68 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 54.70 1wez h ALA 68 Cb 0.60 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1wez h ALA 68 CO 0.00 0.33 0.40 0.28 0.00 0.00 0.00 179.25 180.27 1wez h VAL 69 N -1.00 0.78 -0.30 0.00 2.07 0.11 0.50 116.25 118.41 1wez h VAL 69 Ca -0.01 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1wez h VAL 69 Cb 0.36 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1wez h VAL 69 CO -0.01 0.03 -0.09 0.00 0.02 0.00 0.00 177.57 177.53 1wez h ALA 70 N 1.71 1.29 -0.38 1.67 0.00 0.43 -2.47 119.26 121.51 1wez h ALA 70 Ca 0.28 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1wez h ALA 70 Cb 0.88 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wez h ALA 70 CO -0.04 0.47 -0.13 0.00 0.00 0.00 0.00 179.25 179.55 1wez h ALA 71 N 1.45 0.53 -0.63 0.00 0.00 -0.02 -2.63 119.26 117.97 1wez h ALA 71 Ca 0.09 -0.33 0.18 0.00 0.00 0.00 0.00 54.91 54.85 1wez h ALA 71 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1wez h ALA 71 CO 0.02 0.43 0.88 0.52 0.00 0.00 0.00 179.25 181.10 1wez h MET 72 N 0.57 0.00 -0.56 0.00 2.86 -0.90 1.44 114.93 118.33 1wez h MET 72 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1wez h MET 72 Cb 0.66 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1wez h MET 72 CO 0.04 0.00 0.34 0.00 1.06 0.00 0.00 176.91 178.36 1wez h ALA 73 N 0.84 1.54 -0.56 6.32 0.00 -1.51 0.75 119.26 126.63 1wez h ALA 73 Ca 0.30 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 1wez h ALA 73 Cb 2.06 -0.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.47 1wez h ALA 73 CO -0.00 0.40 0.31 1.63 0.00 0.00 0.00 179.25 181.60 1wez n LYS 74 N -4.42 2.18 -2.69 0.00 4.76 0.49 -4.88 118.16 113.60 1wez n LYS 74 Ca 0.05 -1.90 -0.36 0.00 -2.87 0.00 0.00 58.31 53.23 1wez n LYS 74 Cb 0.07 -1.79 -0.06 0.00 -1.84 0.00 0.00 35.03 31.41 1wez n LYS 74 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1wez s ASP 75 N -0.45 7.02 0.00 4.39 -4.77 0.25 -3.95 116.67 119.17 1wez s ASP 75 Ca 0.35 1.89 0.00 0.00 -3.30 0.00 0.00 52.55 51.49 1wez s ASP 75 Cb 0.29 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.55 1wez s ASP 75 CO 0.08 -0.30 0.00 0.29 0.70 0.00 0.00 175.17 175.93 1wez n LYS 76 N 0.05 0.00 -0.96 2.11 4.01 -0.84 -4.87 118.16 117.66 1wez n LYS 76 Ca 0.04 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.47 1wez n LYS 76 Cb 0.51 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.97 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wez n ALA 77 N 0.00 -1.41 -2.01 7.82 0.00 -1.25 -2.54 120.51 121.12 1wez n ALA 77 Ca 0.00 0.31 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 1wez n ALA 77 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1wez n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wez s ASN 78 N 1.06 5.22 0.26 0.00 4.22 -1.26 -3.85 114.94 120.59 1wez s ASN 78 Ca 0.58 0.34 0.04 0.00 -2.14 0.00 0.00 52.86 51.68 1wez s ASN 78 Cb -0.82 -2.53 0.69 0.00 1.28 0.00 0.00 41.25 39.87 1wez s ASN 78 CO 0.42 -2.42 1.29 0.80 -2.04 0.00 0.00 177.10 175.15 1wez n MET 79 N 9.17 -0.06 0.00 3.55 0.00 -1.20 -4.23 117.12 124.35 1wez n MET 79 Ca 0.22 1.22 0.00 0.00 -0.00 0.00 0.00 57.70 59.14 1wez n MET 79 Cb 0.52 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.77 1wez n MET 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1wez n GLN 80 N -5.13 0.00 -0.20 2.12 6.02 -1.26 -4.98 117.38 113.95 1wez n GLN 80 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1wez n GLN 80 Cb 0.69 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.95 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1wez n HIS 81 N -1.59 0.00 -4.29 1.08 1.44 -1.26 -5.07 115.22 105.54 1wez n HIS 81 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1wez n HIS 81 Cb 0.00 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 29.94 1wez n HIS 81 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wez s ARG 82 N 0.00 0.83 -0.39 -1.40 1.81 -1.26 -5.06 118.95 113.48 1wez s ARG 82 Ca 0.00 -0.23 -0.28 0.00 -1.72 0.00 0.00 55.73 53.51 1wez s ARG 82 Cb 0.00 -0.79 -0.03 0.00 -0.45 0.00 0.00 34.95 33.68 1wez s ARG 82 CO 0.00 0.06 1.91 0.71 -0.68 0.00 0.00 175.30 177.30 1wez s TYR 83 N 0.34 1.64 0.31 -0.53 2.02 -1.26 -3.22 117.35 116.65 1wez s TYR 83 Ca -0.05 0.73 -0.12 0.00 -0.37 0.00 0.00 57.07 57.27 1wez s TYR 83 Cb -0.09 -4.05 -0.08 0.00 -0.40 0.00 0.00 41.96 37.34 1wez s TYR 83 CO 0.00 -2.91 0.68 0.08 -1.57 0.00 0.00 175.55 171.83 1wez s VAL 84 N 7.97 4.80 -0.19 0.71 1.01 -1.05 -4.74 120.40 128.91 1wez s VAL 84 Ca 0.81 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 1wez s VAL 84 Cb -0.21 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1wez s VAL 84 CO 0.30 -0.23 -0.07 -1.61 0.00 0.00 0.00 175.10 173.49 1wez s GLU 85 N -3.16 3.40 -0.12 2.72 0.41 0.21 -1.98 118.70 120.18 1wez s GLU 85 Ca 0.51 -0.63 -0.00 0.00 -0.41 0.00 0.00 54.97 54.43 1wez s GLU 85 Cb -0.11 -2.90 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 1wez s GLU 85 CO 0.22 -0.05 -0.11 -0.51 -0.49 0.00 0.00 175.26 174.32 1wez s LEU 86 N 1.08 2.85 -0.23 1.80 1.43 -1.26 -1.60 118.68 122.75 1wez s LEU 86 Ca 0.01 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1wez s LEU 86 Cb -0.15 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.49 1wez s LEU 86 CO -0.01 0.20 -0.05 -0.36 0.23 0.00 0.00 176.35 176.36 1wez s PHE 87 N 0.15 2.26 -0.39 0.29 0.08 -0.56 -4.89 117.98 114.92 1wez s PHE 87 Ca -0.06 -1.65 -0.28 0.00 0.12 0.00 0.00 56.93 55.06 1wez s PHE 87 Cb -0.15 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1wez s PHE 87 CO 0.04 -0.75 1.81 -1.17 -0.10 0.00 0.00 175.22 175.05 1wez s LEU 88 N 1.44 3.46 -0.31 -0.37 2.96 -1.26 -1.89 118.68 122.71 1wez s LEU 88 Ca -0.05 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1wez s LEU 88 Cb -0.18 -3.29 0.08 0.00 0.50 0.00 0.00 46.19 43.30 1wez s LEU 88 CO -0.06 -1.86 0.00 0.20 -1.32 0.00 0.00 176.35 173.31 1wez s ASN 89 N 6.54 4.75 0.21 3.68 -0.87 0.19 -5.01 114.94 124.43 1wez s ASN 89 Ca 0.77 -1.69 -0.04 0.00 -1.57 0.00 0.00 52.86 50.32 1wez s ASN 89 Cb -0.20 -1.65 -0.03 0.00 -0.02 0.00 0.00 41.25 39.36 1wez s ASN 89 CO 0.31 -0.31 0.22 -0.55 -2.57 0.00 0.00 177.10 174.20 1wez s SER 90 N 1.17 0.09 -0.15 -1.22 0.15 -1.25 0.20 113.70 112.69 1wez s SER 90 Ca 0.00 -1.25 0.18 0.00 0.70 0.00 0.00 55.95 55.58 1wez s SER 90 Cb -0.20 0.43 -0.25 0.00 -1.71 0.00 0.00 66.02 64.29 1wez s SER 90 CO -0.05 -0.91 0.22 0.41 1.20 0.00 0.00 173.24 174.11 1wez n THR 91 N -0.29 1.26 -0.92 6.45 -1.04 -1.24 -4.92 114.28 113.58 1wez n THR 91 Ca 0.00 -0.81 0.12 0.00 -2.04 0.00 0.00 64.05 61.32 1wez n THR 91 Cb 0.65 -0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 68.63 1wez n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wez n ALA 92 N -2.66 -3.07 -3.99 2.41 0.00 -1.26 -4.69 120.51 107.25 1wez n ALA 92 Ca -0.27 0.31 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 1wez n ALA 92 Cb 1.07 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.37 1wez n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wez s GLY 93 N -4.91 1.77 0.00 0.00 0.00 -1.26 -5.07 107.32 97.86 1wez s GLY 93 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.68 1wez s GLY 93 CO 0.00 0.74 0.00 -0.37 0.00 0.00 0.00 173.10 173.47 1wez n THR 94 N 4.41 0.00 0.00 0.90 5.66 -1.26 -5.00 114.28 118.98 1wez n THR 94 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1wez n THR 94 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1wez n THR 94 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wez n SER 95 N -3.66 0.00 -3.62 1.09 7.64 -1.26 -5.16 113.62 108.66 1wez n SER 95 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1wez n SER 95 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1wez n SER 95 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wez s GLY 96 N 0.00 -0.61 0.08 0.23 0.00 -1.26 -5.17 107.32 100.59 1wez s GLY 96 Ca 0.00 2.49 -0.21 0.00 0.00 0.00 0.00 44.72 47.00 1wez s GLY 96 CO 0.00 2.92 0.50 -0.45 0.00 0.00 0.00 173.10 176.08 1wez s SER 97 N 2.49 -0.41 -0.37 1.64 0.15 -1.26 -5.14 113.70 110.80 1wez s SER 97 Ca -0.07 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.66 1wez s SER 97 Cb -0.09 0.50 0.18 0.00 -1.71 0.00 0.00 66.02 64.90 1wez s SER 97 CO -0.19 -0.78 0.72 -0.83 1.20 0.00 0.00 173.24 173.36 1wez s GLY 98 N -2.26 -1.31 1.09 9.45 0.00 -1.26 -5.17 107.32 107.87 1wez s GLY 98 Ca -0.03 0.60 -0.18 0.00 0.00 0.00 0.00 44.72 45.12 1wez s GLY 98 CO -0.06 3.81 1.22 2.56 0.00 0.00 0.00 173.10 180.64 1wez s PRO 99 N 2.04 -0.34 0.05 2.90 0.04 -1.26 -5.00 135.00 133.43 1wez s PRO 99 Ca 0.15 -0.27 -0.33 0.00 0.04 0.00 0.00 61.00 60.59 1wez s PRO 99 Cb -0.03 -1.72 -0.19 0.00 0.04 0.00 0.00 34.50 32.60 1wez s PRO 99 CO -0.12 -3.09 1.43 1.03 0.04 0.00 0.00 177.00 176.29 1wez h SER 100 N -2.13 -0.96 -3.40 6.66 0.87 -2.10 -3.43 113.55 109.07 1wez h SER 100 Ca -0.44 0.03 -0.41 0.00 -1.23 0.00 0.00 61.79 59.73 1wez h SER 100 Cb 1.26 0.25 -0.35 0.00 -0.44 0.00 0.00 62.40 63.12 1wez h SER 100 CO 0.35 -0.64 -0.77 -0.94 -0.53 0.00 0.00 176.83 174.30 1wez s SER 101 N -4.23 1.11 0.00 6.23 1.04 -1.26 -5.35 113.70 111.23 1wez s SER 101 Ca -0.18 -0.11 0.28 0.00 0.48 0.00 0.00 55.95 56.42 1wez s SER 101 Cb 0.02 -0.43 1.05 0.00 0.10 0.00 0.00 66.02 66.76 1wez s SER 101 CO 0.55 -0.10 1.75 0.61 0.98 0.00 0.00 173.24 177.02