#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez s SER 2 N 0.00 -0.25 0.10 1.61 1.04 -1.26 -5.16 113.70 109.78 1wez s SER 2 Ca 0.00 0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.88 1wez s SER 2 Cb 0.00 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1wez s SER 2 CO 0.00 -0.23 -0.05 -0.44 0.98 0.00 0.00 173.24 173.50 1wez s SER 3 N -0.41 4.72 0.55 7.02 0.01 -1.26 -5.13 113.70 119.20 1wez s SER 3 Ca -0.05 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 56.98 1wez s SER 3 Cb -0.04 -1.02 0.05 0.00 0.21 0.00 0.00 66.02 65.23 1wez s SER 3 CO 0.02 0.17 0.45 -0.83 0.41 0.00 0.00 173.24 173.46 1wez s GLY 4 N -2.29 2.31 -0.30 3.44 0.00 -1.26 -5.14 107.32 104.08 1wez s GLY 4 Ca 0.24 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 1wez s GLY 4 CO 0.16 -1.92 0.60 -0.45 0.00 0.00 0.00 173.10 171.50 1wez s SER 5 N -4.34 -1.35 -0.16 1.64 0.15 -1.26 -5.16 113.70 103.22 1wez s SER 5 Ca 0.37 0.95 -0.31 0.00 0.70 0.00 0.00 55.95 57.65 1wez s SER 5 Cb -0.03 2.18 0.14 0.00 -1.71 0.00 0.00 66.02 66.60 1wez s SER 5 CO 0.23 -0.26 1.10 -0.55 1.20 0.00 0.00 173.24 174.97 1wez s SER 6 N 2.86 -0.24 0.00 5.45 0.15 -1.26 -5.17 113.70 115.50 1wez s SER 6 Ca 0.18 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1wez s SER 6 Cb -0.15 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1wez s SER 6 CO -0.21 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1wez n GLY 7 N 0.23 2.69 3.44 9.45 0.00 -1.26 -5.19 105.19 114.55 1wez n GLY 7 Ca -0.05 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1wez n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wez s SER 8 N 0.00 -0.16 0.26 1.61 0.15 -1.26 -5.15 113.70 109.16 1wez s SER 8 Ca 0.00 -0.59 -0.30 0.00 0.70 0.00 0.00 55.95 55.76 1wez s SER 8 Cb 0.00 0.52 -0.09 0.00 -1.71 0.00 0.00 66.02 64.74 1wez s SER 8 CO 0.00 -0.98 1.08 -0.44 1.20 0.00 0.00 173.24 174.10 1wez s SER 9 N -2.90 7.30 -0.11 5.45 0.01 -1.26 -4.51 113.70 117.69 1wez s SER 9 Ca 0.11 2.21 -0.07 0.00 1.31 0.00 0.00 55.95 59.51 1wez s SER 9 Cb 0.01 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.64 1wez s SER 9 CO -0.03 -0.13 0.15 0.33 0.41 0.00 0.00 173.24 173.97 1wez n PHE 10 N 1.41 -3.28 -3.17 2.43 7.35 -1.26 -4.88 117.46 116.08 1wez n PHE 10 Ca -0.01 1.92 -0.45 0.00 -0.76 0.00 0.00 57.45 58.15 1wez n PHE 10 Cb 0.45 -3.08 -0.04 0.00 0.35 0.00 0.00 39.48 37.16 1wez n PHE 10 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1wez s GLN 11 N -0.46 3.19 0.07 -4.13 -0.21 -1.26 -5.04 119.66 111.82 1wez s GLN 11 Ca -0.17 -1.64 -0.21 0.00 0.02 0.00 0.00 55.36 53.36 1wez s GLN 11 Cb 0.01 -4.37 -0.07 0.00 1.00 0.00 0.00 33.01 29.58 1wez s GLN 11 CO 0.46 -1.49 0.62 0.45 -2.12 0.00 0.00 175.29 173.21 1wez s SER 12 N 3.36 7.11 0.23 5.90 0.15 -1.26 -4.92 113.70 124.27 1wez s SER 12 Ca 0.13 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1wez s SER 12 Cb -0.21 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1wez s SER 12 CO 0.01 0.22 0.00 0.35 1.20 0.00 0.00 173.24 175.02 1wez n THR 13 N 1.95 0.00 0.00 6.45 -2.24 -1.26 -5.07 114.28 114.11 1wez n THR 13 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1wez n THR 13 Cb 0.50 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1wez n THR 13 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wez n THR 14 N -3.22 0.00 0.00 4.28 -2.24 -1.26 -5.10 114.28 106.74 1wez n THR 14 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wez n THR 14 Cb 0.00 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1wez n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wez n GLY 15 N 2.60 2.86 3.66 3.38 0.00 -1.26 -4.97 105.19 111.46 1wez n GLY 15 Ca 0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1wez n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wez s HIS 16 N 0.00 3.34 0.14 1.61 3.76 -1.26 -3.23 115.29 119.65 1wez s HIS 16 Ca 0.00 1.46 -0.04 0.00 -0.15 0.00 0.00 55.06 56.32 1wez s HIS 16 Cb 0.00 -3.26 -0.03 0.00 1.11 0.00 0.00 32.58 30.41 1wez s HIS 16 CO 0.00 -0.47 0.15 0.00 -0.85 0.00 0.00 174.74 173.56 1wez s VAL 18 N -4.00 0.25 0.41 0.00 1.01 0.20 -0.75 120.40 117.52 1wez s VAL 18 Ca 0.20 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 1wez s VAL 18 Cb 0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 1wez s VAL 18 CO -0.00 0.14 0.79 -2.28 0.00 0.00 0.00 175.10 173.75 1wez s HIS 19 N 2.01 3.46 0.00 5.22 2.46 -0.24 0.13 115.29 128.34 1wez s HIS 19 Ca 0.04 1.12 0.04 0.00 0.47 0.00 0.00 55.06 56.72 1wez s HIS 19 Cb -0.13 -2.50 -0.01 0.00 -0.13 0.00 0.00 32.58 29.81 1wez s HIS 19 CO -0.05 -0.12 -0.11 -1.64 -2.47 0.00 0.00 174.74 170.34 1wez s MET 20 N -3.78 0.88 0.03 2.88 -1.94 0.59 -1.84 119.30 116.12 1wez s MET 20 Ca 0.53 -0.48 -0.13 0.00 -1.71 0.00 0.00 55.69 53.90 1wez s MET 20 Cb -0.10 -0.85 0.02 0.00 2.01 0.00 0.00 34.83 35.90 1wez s MET 20 CO 0.30 0.23 0.27 1.03 -0.01 0.00 0.00 175.02 176.84 1wez s ARG 21 N -0.48 0.73 -1.06 2.03 0.52 -0.48 -1.58 118.95 118.63 1wez s ARG 21 Ca 0.03 -0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1wez s ARG 21 Cb -0.05 0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 1wez s ARG 21 CO -0.00 -0.22 0.91 0.41 0.02 0.00 0.00 175.30 176.41 1wez n GLY 22 N 0.82 -0.69 3.92 -3.53 0.00 -0.25 0.20 105.19 105.66 1wez n GLY 22 Ca -0.20 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.68 4.12 0.80 0.99 1.43 0.15 -2.71 118.68 117.79 1wez s LEU 23 Ca 0.22 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 1wez s LEU 23 Cb -0.03 -3.34 0.07 0.00 0.03 0.00 0.00 46.19 42.92 1wez s LEU 23 CO 0.69 -0.15 1.10 -2.16 0.23 0.00 0.00 176.35 176.06 1wez s PRO 24 N -3.59 2.06 0.07 1.29 0.04 -1.26 -4.58 135.00 129.03 1wez s PRO 24 Ca 0.41 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 1wez s PRO 24 Cb -0.11 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1wez s PRO 24 CO 0.31 -1.63 1.42 1.88 0.04 0.00 0.00 177.00 179.02 1wez h TYR 25 N -1.10 0.51 -0.47 0.56 0.05 -1.98 -3.08 116.97 111.46 1wez h TYR 25 Ca -0.47 -0.13 -0.29 0.00 0.05 0.00 0.00 58.73 57.89 1wez h TYR 25 Cb 1.27 -0.12 -0.11 0.00 1.01 0.00 0.00 36.73 38.78 1wez h TYR 25 CO 0.46 0.73 0.21 0.54 -1.05 0.00 0.00 178.16 179.04 1wez n ARG 26 N -4.54 1.86 -4.02 4.88 1.74 -1.26 -4.79 116.66 110.53 1wez n ARG 26 Ca -0.05 -1.41 -0.33 0.00 -0.77 0.00 0.00 57.85 55.29 1wez n ARG 26 Cb 0.33 -1.71 -0.15 0.00 -1.02 0.00 0.00 32.46 29.91 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 -1.01 2.64 0.35 7.54 0.00 -1.17 -5.01 121.76 125.10 1wez s ALA 27 Ca 0.39 -1.74 0.09 0.00 0.00 0.00 0.00 51.96 50.70 1wez s ALA 27 Cb 0.25 -1.69 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 1wez s ALA 27 CO -0.06 -1.18 -0.08 -0.08 0.00 0.00 0.00 175.76 174.36 1wez s THR 28 N 1.16 2.17 0.29 0.00 -1.32 -1.26 -4.93 115.64 111.75 1wez s THR 28 Ca -0.07 -2.17 -0.00 0.00 -1.21 0.00 0.00 61.69 58.24 1wez s THR 28 Cb -0.20 -2.69 0.36 0.00 -1.51 0.00 0.00 72.50 68.46 1wez s THR 28 CO -0.04 -0.18 1.60 -0.33 -2.21 0.00 0.00 174.62 173.47 1wez h GLU 29 N 2.00 0.07 -0.98 7.08 5.08 -1.97 1.49 114.58 127.35 1wez h GLU 29 Ca -0.42 -0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.18 1wez h GLU 29 Cb 1.25 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.36 1wez h GLU 29 CO 0.72 0.05 0.55 -0.91 -1.00 0.00 0.00 179.01 178.42 1wez h ASN 30 N 0.07 0.60 0.03 1.42 2.35 -1.99 1.08 115.58 119.15 1wez h ASN 30 Ca 0.55 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 56.44 1wez h ASN 30 Cb 1.10 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1wez h ASN 30 CO -0.80 0.06 -0.02 0.44 -1.65 0.00 0.00 177.43 175.46 1wez h ASP 31 N 0.52 -0.04 -1.01 5.81 3.32 0.15 -2.97 116.42 122.22 1wez h ASP 31 Ca 0.64 -0.67 0.27 0.00 0.02 0.00 0.00 57.03 57.29 1wez h ASP 31 Cb 1.23 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.73 1wez h ASP 31 CO -0.50 0.74 0.70 0.40 -1.72 0.00 0.00 179.24 178.85 1wez h ILE 32 N -0.90 0.53 -0.20 0.35 2.04 0.86 1.50 117.51 121.69 1wez h ILE 32 Ca -0.00 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1wez h ILE 32 Cb 0.70 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1wez h ILE 32 CO 0.01 0.03 -0.07 1.88 0.00 0.00 0.00 178.15 180.00 1wez h TYR 33 N 0.17 0.46 0.00 1.37 0.05 0.11 -2.57 116.97 116.56 1wez h TYR 33 Ca 0.51 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1wez h TYR 33 Cb 1.71 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 39.34 1wez h TYR 33 CO -0.00 0.67 0.00 -0.91 -1.05 0.00 0.00 178.16 176.87 1wez h ASN 34 N 0.11 0.00 1.23 3.88 4.21 -0.26 -2.08 115.58 122.67 1wez h ASN 34 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1wez h ASN 34 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1wez h ASN 34 CO 0.02 0.00 0.00 0.33 -1.29 0.00 0.00 177.43 176.49 1wez n PHE 35 N -2.40 0.53 0.11 1.19 7.35 0.47 -3.35 117.46 121.36 1wez n PHE 35 Ca 0.05 0.16 0.02 0.00 -0.76 0.00 0.00 57.45 56.92 1wez n PHE 35 Cb 0.44 -0.75 -0.03 0.00 0.35 0.00 0.00 39.48 39.49 1wez n PHE 35 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1wez n PHE 36 N -1.93 0.00 -1.49 -5.13 3.72 -0.99 -4.79 117.46 106.85 1wez n PHE 36 Ca 0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.13 1wez n PHE 36 Cb 0.38 -0.05 0.08 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.90 4.52 -0.20 4.37 0.01 -0.80 -3.71 113.70 115.99 1wez s SER 37 Ca 0.00 2.12 -0.29 0.00 1.31 0.00 0.00 55.95 59.09 1wez s SER 37 Cb 0.03 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1wez s SER 37 CO 0.18 -2.03 1.30 -2.16 0.41 0.00 0.00 173.24 170.94 1wez s PRO 38 N -4.17 4.13 0.19 12.44 0.04 -1.26 -4.99 135.00 141.38 1wez s PRO 38 Ca 0.69 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 63.07 1wez s PRO 38 Cb -0.23 -3.81 0.07 0.00 0.04 0.00 0.00 34.50 30.56 1wez s PRO 38 CO 0.46 -0.84 0.98 -0.51 0.04 0.00 0.00 177.00 177.13 1wez s LEU 39 N 3.81 -0.06 -0.34 -3.56 1.43 -1.24 -5.02 118.68 113.69 1wez s LEU 39 Ca 0.56 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1wez s LEU 39 Cb -0.21 2.19 0.13 0.00 0.03 0.00 0.00 46.19 48.33 1wez s LEU 39 CO 0.18 -1.03 0.18 0.21 0.23 0.00 0.00 176.35 176.12 1wez s ASN 40 N -3.19 3.25 -0.00 2.29 3.84 -1.26 -5.05 114.94 114.82 1wez s ASN 40 Ca 0.17 -1.94 -0.30 0.00 0.21 0.00 0.00 52.86 51.00 1wez s ASN 40 Cb -0.02 -0.47 -0.04 0.00 -0.55 0.00 0.00 41.25 40.16 1wez s ASN 40 CO 0.05 -0.35 1.20 -2.16 -2.79 0.00 0.00 177.10 173.05 1wez s PRO 41 N 1.33 4.39 0.37 0.43 0.04 -1.26 -4.75 135.00 135.55 1wez s PRO 41 Ca 0.15 1.71 0.12 0.00 0.04 0.00 0.00 61.00 63.02 1wez s PRO 41 Cb -0.21 -3.47 0.91 0.00 0.04 0.00 0.00 34.50 31.77 1wez s PRO 41 CO -0.11 -0.35 1.84 0.52 0.04 0.00 0.00 177.00 178.93 1wez h MET 42 N 7.17 0.58 -1.29 4.56 2.86 0.16 -3.44 114.93 125.53 1wez h MET 42 Ca -0.38 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1wez h MET 42 Cb 1.19 -0.13 -0.30 0.00 0.06 0.00 0.00 31.60 32.42 1wez h MET 42 CO 0.85 0.38 0.71 -0.98 1.06 0.00 0.00 176.91 178.93 1wez s ARG 43 N -5.62 0.25 -0.29 1.72 1.70 -1.24 -4.98 118.95 110.49 1wez s ARG 43 Ca -0.10 0.27 -0.00 0.00 -0.47 0.00 0.00 55.73 55.43 1wez s ARG 43 Cb 0.23 0.12 0.06 0.00 -0.57 0.00 0.00 34.95 34.79 1wez s ARG 43 CO 0.79 -0.04 -0.03 0.08 -1.08 0.00 0.00 175.30 175.03 1wez s VAL 44 N -0.02 2.72 0.03 4.99 1.01 -1.26 -2.54 120.40 125.33 1wez s VAL 44 Ca 0.05 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 60.29 1wez s VAL 44 Cb -0.05 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 1wez s VAL 44 CO -0.11 -0.12 0.67 -2.28 0.00 0.00 0.00 175.10 173.26 1wez s HIS 45 N 1.19 3.73 -0.38 5.22 5.04 -0.62 -4.95 115.29 124.51 1wez s HIS 45 Ca -0.05 1.34 -0.03 0.00 -1.54 0.00 0.00 55.06 54.77 1wez s HIS 45 Cb -0.20 -2.69 0.09 0.00 0.04 0.00 0.00 32.58 29.82 1wez s HIS 45 CO -0.03 0.35 0.16 0.42 -2.34 0.00 0.00 174.74 173.30 1wez s ILE 46 N -0.26 3.32 -0.17 0.89 -1.09 -1.26 -2.65 121.20 119.99 1wez s ILE 46 Ca 0.34 -1.79 -0.29 0.00 -2.23 0.00 0.00 60.65 56.68 1wez s ILE 46 Cb -0.19 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 1wez s ILE 46 CO 0.20 -0.51 1.59 -0.70 -1.23 0.00 0.00 174.94 174.29 1wez s GLU 47 N 1.21 3.94 0.03 2.79 2.12 -1.19 -4.99 118.70 122.60 1wez s GLU 47 Ca 0.04 1.79 0.02 0.00 0.36 0.00 0.00 54.97 57.18 1wez s GLU 47 Cb -0.22 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 1wez s GLU 47 CO -0.03 -1.12 0.05 0.42 -0.54 0.00 0.00 175.26 174.05 1wez s ILE 48 N 4.73 4.45 0.67 -3.70 -1.09 -1.26 -2.22 121.20 122.77 1wez s ILE 48 Ca 0.70 -0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 58.41 1wez s ILE 48 Cb -0.27 -3.06 0.15 0.00 -1.58 0.00 0.00 42.46 37.70 1wez s ILE 48 CO 0.28 0.27 0.91 0.61 -1.23 0.00 0.00 174.94 175.78 1wez n GLY 49 N 0.97 -0.86 3.04 6.18 0.00 0.45 -4.87 105.19 110.10 1wez n GLY 49 Ca -0.12 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.87 2.18 0.00 1.61 -0.04 -1.26 -3.21 135.00 131.41 1wez n PRO 50 Ca 0.12 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 1wez n PRO 50 Cb 0.42 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1wez n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wez n ASP 51 N 7.65 0.00 0.00 3.54 5.75 -1.26 -4.98 116.55 127.24 1wez n ASP 51 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1wez n ASP 51 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wez n GLY 52 N 0.00 0.42 3.69 6.12 0.00 -1.20 -5.15 105.19 109.08 1wez n GLY 52 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.49 -2.73 1.61 5.12 -1.26 -4.59 116.66 115.29 1wez n ARG 53 Ca 0.00 0.23 -0.33 0.00 -1.93 0.00 0.00 57.85 55.83 1wez n ARG 53 Cb 0.00 -2.43 -0.06 0.00 -1.16 0.00 0.00 32.46 28.81 1wez n ARG 53 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1wez s VAL 54 N -1.87 4.46 -0.13 1.55 -7.23 -1.26 -0.41 120.40 115.50 1wez s VAL 54 Ca 0.76 1.36 0.18 0.00 -1.81 0.00 0.00 61.98 62.47 1wez s VAL 54 Cb -0.32 -3.64 -0.15 0.00 0.56 0.00 0.00 36.38 32.83 1wez s VAL 54 CO 0.48 -0.41 0.74 0.35 -0.31 0.00 0.00 175.10 175.95 1wez n THR 55 N -0.89 1.08 0.00 5.32 -2.24 -0.94 -4.75 114.28 111.85 1wez n THR 55 Ca 0.07 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1wez n THR 55 Cb 0.54 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 1.40 1.03 3.62 3.38 0.00 -1.26 -4.79 105.19 108.56 1wez n GLY 56 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.71 2.23 -0.26 1.61 2.02 -1.26 -0.67 118.70 121.66 1wez s GLU 57 Ca 0.00 -1.24 -0.21 0.00 0.02 0.00 0.00 54.97 53.53 1wez s GLU 57 Cb 0.00 -2.23 0.07 0.00 0.10 0.00 0.00 34.13 32.07 1wez s GLU 57 CO 0.00 0.43 0.69 0.00 0.02 0.00 0.00 175.26 176.39 1wez s ALA 58 N -1.85 -1.75 -0.27 5.21 0.00 -0.61 -3.18 121.76 119.30 1wez s ALA 58 Ca 0.27 2.09 -0.06 0.00 0.00 0.00 0.00 51.96 54.27 1wez s ALA 58 Cb -0.08 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.82 1wez s ALA 58 CO 0.17 -0.34 0.04 -0.51 0.00 0.00 0.00 175.76 175.12 1wez s ASP 59 N 0.77 4.89 0.19 0.00 1.11 -1.08 0.22 116.67 122.77 1wez s ASP 59 Ca -0.03 -0.67 0.04 0.00 0.18 0.00 0.00 52.55 52.07 1wez s ASP 59 Cb -0.05 -1.83 -0.03 0.00 1.07 0.00 0.00 42.92 42.08 1wez s ASP 59 CO -0.06 -0.15 0.30 -0.69 1.18 0.00 0.00 175.17 175.75 1wez s VAL 60 N 1.47 5.18 -0.01 -1.27 1.01 0.36 -1.58 120.40 125.55 1wez s VAL 60 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wez s VAL 60 Cb -0.17 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1wez s VAL 60 CO 0.01 -0.21 -0.02 -0.70 0.00 0.00 0.00 175.10 174.18 1wez s GLU 61 N -3.57 0.29 0.08 2.72 -6.30 -1.05 -0.63 118.70 110.24 1wez s GLU 61 Ca 0.34 -0.05 0.07 0.00 -2.50 0.00 0.00 54.97 52.83 1wez s GLU 61 Cb -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 34.13 33.66 1wez s GLU 61 CO 0.28 -0.00 -0.19 -0.06 0.02 0.00 0.00 175.26 175.31 1wez s PHE 62 N 0.30 1.61 0.04 5.30 0.08 -0.59 0.18 117.98 124.90 1wez s PHE 62 Ca -0.03 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.35 1wez s PHE 62 Cb -0.06 -0.91 -0.17 0.00 -0.57 0.00 0.00 43.02 41.32 1wez s PHE 62 CO -0.01 0.14 1.47 0.00 -0.10 0.00 0.00 175.22 176.72 1wez h ALA 63 N 4.31 -0.17 -4.51 5.36 0.00 -1.85 -3.38 119.26 119.02 1wez h ALA 63 Ca -0.44 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1wez h ALA 63 Cb 1.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1wez h ALA 63 CO 0.41 -0.48 -0.06 0.25 0.00 0.00 0.00 179.25 179.37 1wez n THR 64 N -5.06 0.00 0.02 0.00 -2.24 -1.26 -4.78 114.28 100.96 1wez n THR 64 Ca -0.09 -0.54 -0.22 0.00 -2.27 0.00 0.00 64.05 60.93 1wez n THR 64 Cb 0.18 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.44 0.53 -0.58 4.78 2.76 -1.95 -3.37 115.15 117.76 1wez h HIS 65 Ca -0.09 -0.38 0.12 0.00 -2.20 0.00 0.00 60.37 57.82 1wez h HIS 65 Cb 0.32 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.16 1wez h HIS 65 CO 0.00 1.74 -0.09 0.93 -1.30 0.00 0.00 177.93 179.21 1wez h GLU 66 N 0.01 0.04 0.00 5.26 5.08 -1.97 1.54 114.58 124.54 1wez h GLU 66 Ca -0.39 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1wez h GLU 66 Cb 2.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1wez h GLU 66 CO 0.10 0.03 0.17 -0.44 -1.00 0.00 0.00 179.01 177.87 1wez h ASP 67 N 0.04 0.00 0.00 1.42 5.19 -1.99 1.15 116.42 122.24 1wez h ASP 67 Ca 0.29 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.50 1wez h ASP 67 Cb 0.45 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 1wez h ASP 67 CO -0.56 0.00 -1.14 0.00 -3.12 0.00 0.00 179.24 174.43 1wez h ALA 68 N 1.63 0.23 0.00 3.45 0.00 0.18 -3.15 119.26 121.61 1wez h ALA 68 Ca 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 53.76 1wez h ALA 68 Cb 0.35 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wez h ALA 68 CO 0.00 0.65 -0.11 0.28 0.00 0.00 0.00 179.25 180.07 1wez h VAL 69 N -1.00 0.51 -0.14 0.00 2.07 0.87 -2.04 116.25 116.52 1wez h VAL 69 Ca -0.31 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 1wez h VAL 69 Cb 1.23 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1wez h VAL 69 CO -0.19 0.10 -0.34 0.00 0.02 0.00 0.00 177.57 177.17 1wez h ALA 70 N 1.89 0.23 -0.71 1.67 0.00 0.12 -3.15 119.26 119.30 1wez h ALA 70 Ca -0.00 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1wez h ALA 70 Cb 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1wez h ALA 70 CO 0.01 0.28 0.43 0.00 0.00 0.00 0.00 179.25 179.97 1wez h ALA 71 N 0.53 0.95 -1.87 0.00 0.00 -1.34 -1.17 119.26 116.37 1wez h ALA 71 Ca -0.00 -0.00 0.55 0.00 0.00 0.00 0.00 54.91 55.46 1wez h ALA 71 Cb 0.95 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 1wez h ALA 71 CO 0.07 0.15 1.33 -1.33 0.00 0.00 0.00 179.25 179.48 1wez n MET 72 N -4.71 -0.01 -0.34 0.00 2.81 -0.95 0.19 117.12 114.12 1wez n MET 72 Ca 0.09 1.09 0.32 0.00 -1.81 0.00 0.00 57.70 57.39 1wez n MET 72 Cb 0.14 -2.46 0.68 0.00 -0.71 0.00 0.00 33.22 30.87 1wez n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wez h ALA 73 N 1.06 2.88 -0.99 3.04 0.00 -1.33 1.47 119.26 125.39 1wez h ALA 73 Ca 0.92 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 55.18 1wez h ALA 73 Cb 3.61 0.08 -0.29 0.00 0.00 0.00 0.00 17.79 21.18 1wez h ALA 73 CO -0.07 -1.25 0.81 1.63 0.00 0.00 0.00 179.25 180.36 1wez n LYS 74 N -4.32 2.64 -2.66 0.00 4.76 0.50 -4.87 118.16 114.21 1wez n LYS 74 Ca 0.26 -3.27 -0.43 0.00 -2.87 0.00 0.00 58.31 52.01 1wez n LYS 74 Cb 1.17 -2.27 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.79 7.10 -0.06 4.39 -4.77 0.50 -2.88 116.67 119.17 1wez s ASP 75 Ca 0.63 1.39 0.00 0.00 -3.30 0.00 0.00 52.55 51.27 1wez s ASP 75 Cb 0.50 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.79 1wez s ASP 75 CO 0.01 -0.67 0.00 0.29 0.70 0.00 0.00 175.17 175.50 1wez n LYS 76 N 6.30 -1.27 -2.34 2.11 5.02 -1.11 -4.93 118.16 121.93 1wez n LYS 76 Ca 0.12 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.34 1wez n LYS 76 Cb 0.46 -4.32 -0.03 0.00 -0.02 0.00 0.00 35.03 31.12 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wez s ALA 77 N -1.40 3.46 -0.65 7.82 0.00 -1.14 -4.60 121.76 125.24 1wez s ALA 77 Ca 0.00 0.95 -0.26 0.00 0.00 0.00 0.00 51.96 52.65 1wez s ALA 77 Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1wez s ALA 77 CO 0.00 -0.47 2.08 1.21 0.00 0.00 0.00 175.76 178.57 1wez s ASN 78 N 0.85 4.88 0.06 0.00 3.84 -1.26 -4.28 114.94 119.04 1wez s ASN 78 Ca 0.59 0.31 -0.36 0.00 0.21 0.00 0.00 52.86 53.61 1wez s ASN 78 Cb -0.32 -2.53 -0.19 0.00 -0.55 0.00 0.00 41.25 37.65 1wez s ASN 78 CO 0.31 -2.74 1.54 -0.03 -2.79 0.00 0.00 177.10 173.40 1wez h MET 79 N 15.24 -1.20 0.00 0.43 1.85 -1.90 -3.44 114.93 125.91 1wez h MET 79 Ca -0.16 0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1wez h MET 79 Cb 1.14 0.27 0.00 0.00 0.43 0.00 0.00 31.60 33.45 1wez h MET 79 CO 1.18 -0.80 0.00 1.04 -0.40 0.00 0.00 176.91 177.93 1wez n GLN 80 N -5.51 0.00 -0.37 0.39 1.13 -1.26 -4.97 117.38 106.79 1wez n GLN 80 Ca -0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.91 1wez n GLN 80 Cb 0.50 -0.09 0.00 0.00 0.11 0.00 0.00 30.24 30.76 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1wez n HIS 81 N -1.93 0.00 -4.26 1.08 1.44 -1.26 -5.11 115.22 105.17 1wez n HIS 81 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 1wez n HIS 81 Cb 0.00 0.04 -0.10 0.00 0.12 0.00 0.00 29.99 30.05 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 1.28 -0.40 -1.40 1.81 -1.26 -5.09 118.95 113.89 1wez s ARG 82 Ca 0.00 -1.67 -0.08 0.00 -1.72 0.00 0.00 55.73 52.26 1wez s ARG 82 Cb 0.00 -0.10 0.07 0.00 -0.45 0.00 0.00 34.95 34.47 1wez s ARG 82 CO 0.00 -0.29 0.22 0.71 -0.68 0.00 0.00 175.30 175.26 1wez s TYR 83 N -3.86 3.33 0.06 -0.53 2.02 -1.26 -3.26 117.35 113.85 1wez s TYR 83 Ca 0.35 -1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 55.34 1wez s TYR 83 Cb 0.07 -2.80 -0.06 0.00 -0.40 0.00 0.00 41.96 38.77 1wez s TYR 83 CO 0.11 -0.82 0.51 0.14 -1.57 0.00 0.00 175.55 173.92 1wez s VAL 84 N 1.41 4.85 -0.30 0.71 -7.23 -1.10 -4.71 120.40 114.03 1wez s VAL 84 Ca 0.02 1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 61.03 1wez s VAL 84 Cb -0.22 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 32.90 1wez s VAL 84 CO 0.02 0.51 0.58 -1.61 -0.31 0.00 0.00 175.10 174.29 1wez s GLU 85 N -1.24 3.91 -0.12 4.82 0.41 0.52 -2.76 118.70 124.24 1wez s GLU 85 Ca 0.29 0.24 -0.09 0.00 -0.41 0.00 0.00 54.97 54.99 1wez s GLU 85 Cb -0.18 -3.72 -0.05 0.00 -1.78 0.00 0.00 34.13 28.41 1wez s GLU 85 CO 0.17 -0.52 0.20 -0.51 -0.49 0.00 0.00 175.26 174.11 1wez s LEU 86 N 2.49 4.36 -0.19 1.80 1.43 -1.26 -1.39 118.68 125.92 1wez s LEU 86 Ca 0.23 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1wez s LEU 86 Cb -0.15 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 43.93 1wez s LEU 86 CO 0.11 0.33 -0.01 -0.36 0.23 0.00 0.00 176.35 176.65 1wez s PHE 87 N -0.67 1.59 -0.61 0.29 0.08 -0.76 -4.86 117.98 113.04 1wez s PHE 87 Ca 0.16 -1.15 -0.28 0.00 0.12 0.00 0.00 56.93 55.77 1wez s PHE 87 Cb -0.13 -1.26 0.03 0.00 -0.57 0.00 0.00 43.02 41.10 1wez s PHE 87 CO 0.05 -0.65 1.24 -1.17 -0.10 0.00 0.00 175.22 174.59 1wez s LEU 88 N 1.67 3.39 -0.32 -0.37 2.96 -1.26 -1.08 118.68 123.66 1wez s LEU 88 Ca -0.02 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1wez s LEU 88 Cb -0.17 -3.04 0.08 0.00 0.50 0.00 0.00 46.19 43.56 1wez s LEU 88 CO -0.07 -1.58 0.03 0.20 -1.32 0.00 0.00 176.35 173.60 1wez s ASN 89 N 3.32 4.83 -0.00 3.68 0.01 0.07 -5.02 114.94 121.83 1wez s ASN 89 Ca 0.43 -1.69 -0.05 0.00 -0.71 0.00 0.00 52.86 50.85 1wez s ASN 89 Cb -0.08 -1.68 -0.00 0.00 0.41 0.00 0.00 41.25 39.90 1wez s ASN 89 CO 0.23 -0.33 0.09 -0.55 -1.51 0.00 0.00 177.10 175.03 1wez s SER 90 N 1.24 0.04 0.18 -1.22 0.15 -1.26 0.88 113.70 113.72 1wez s SER 90 Ca 0.01 -0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.44 1wez s SER 90 Cb -0.20 0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.38 1wez s SER 90 CO -0.04 -0.27 1.50 0.74 1.20 0.00 0.00 173.24 176.37 1wez h THR 91 N 4.55 1.31 -3.25 6.45 2.02 -1.93 -3.47 112.91 118.59 1wez h THR 91 Ca -0.30 -1.74 0.40 0.00 0.77 0.00 0.00 66.41 65.54 1wez h THR 91 Cb 1.20 1.69 -0.10 0.00 -1.74 0.00 0.00 68.15 69.20 1wez h THR 91 CO 0.42 0.55 -0.54 0.00 0.37 0.00 0.00 175.52 176.31 1wez n ALA 92 N -2.53 -3.78 -0.05 6.16 0.00 -1.26 -4.96 120.51 114.10 1wez n ALA 92 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1wez n ALA 92 Cb 0.59 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1wez n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wez n GLY 93 N -4.27 -0.00 3.96 0.00 0.00 -1.26 -5.11 105.19 98.50 1wez n GLY 93 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1wez n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wez s THR 94 N -0.95 2.06 -0.48 2.61 -4.23 -1.26 -5.06 115.64 108.32 1wez s THR 94 Ca 0.00 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1wez s THR 94 Cb 0.00 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.17 1wez s THR 94 CO 0.00 0.00 0.30 -0.55 -0.54 0.00 0.00 174.62 173.83 1wez s SER 95 N -4.81 3.43 -0.63 3.99 0.15 -1.26 -5.02 113.70 109.54 1wez s SER 95 Ca 0.70 -2.93 0.05 0.00 0.70 0.00 0.00 55.95 54.47 1wez s SER 95 Cb -0.05 -1.02 0.16 0.00 -1.71 0.00 0.00 66.02 63.41 1wez s SER 95 CO 0.49 -0.22 0.42 -0.83 1.20 0.00 0.00 173.24 174.31 1wez s GLY 96 N -0.02 2.66 0.45 9.45 0.00 -1.26 -5.08 107.32 113.52 1wez s GLY 96 Ca 0.22 -3.57 0.06 0.00 0.00 0.00 0.00 44.72 41.43 1wez s GLY 96 CO -0.07 1.16 0.18 -1.35 0.00 0.00 0.00 173.10 173.03 1wez s SER 97 N -1.03 4.37 -0.41 1.64 1.04 -1.26 -5.11 113.70 112.94 1wez s SER 97 Ca 0.23 -1.23 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1wez s SER 97 Cb -0.09 -0.15 0.11 0.00 0.10 0.00 0.00 66.02 65.99 1wez s SER 97 CO -0.13 -0.69 0.14 -0.83 0.98 0.00 0.00 173.24 172.72 1wez s GLY 98 N -3.95 2.03 0.82 7.32 0.00 -1.26 -5.11 107.32 107.17 1wez s GLY 98 Ca 0.34 -2.74 -0.12 0.00 0.00 0.00 0.00 44.72 42.20 1wez s GLY 98 CO 0.19 1.06 1.10 2.56 0.00 0.00 0.00 173.10 178.01 1wez s PRO 99 N 0.49 1.93 -0.27 2.90 0.04 -1.26 -5.08 135.00 133.75 1wez s PRO 99 Ca 0.14 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 1wez s PRO 99 Cb -0.22 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.60 1wez s PRO 99 CO -0.06 -1.71 1.32 0.45 0.04 0.00 0.00 177.00 177.04 1wez s SER 100 N -3.94 -0.07 0.21 6.66 0.15 -1.26 -5.09 113.70 110.37 1wez s SER 100 Ca 0.61 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1wez s SER 100 Cb -0.14 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wez s SER 100 CO 0.54 -0.07 0.00 -1.20 1.20 0.00 0.00 173.24 173.71 1wez n SER 101 N 0.52 -1.89 0.00 5.45 7.64 -1.26 -5.35 113.62 118.73 1wez n SER 101 Ca -0.01 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1wez n SER 101 Cb 0.59 2.00 0.00 0.00 -1.01 0.00 0.00 64.21 65.79 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64