#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 -1.81 -4.76 1.61 3.41 -1.26 -5.15 113.62 105.66 1wez n SER 2 Ca 0.00 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.31 1wez n SER 2 Cb 0.00 1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 1wez n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wez s SER 3 N -0.03 7.05 0.17 4.04 1.04 -1.26 -5.03 113.70 119.68 1wez s SER 3 Ca 0.27 2.42 0.07 0.00 0.48 0.00 0.00 55.95 59.19 1wez s SER 3 Cb 0.17 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1wez s SER 3 CO -0.11 -0.32 0.02 -0.83 0.98 0.00 0.00 173.24 172.98 1wez s GLY 4 N -0.57 1.73 -0.35 7.32 0.00 -1.26 -4.80 107.32 109.39 1wez s GLY 4 Ca 0.48 -1.33 -0.26 0.00 0.00 0.00 0.00 44.72 43.61 1wez s GLY 4 CO 0.45 -1.35 0.48 -1.26 0.00 0.00 0.00 173.10 171.42 1wez n SER 5 N -0.14 -6.25 -4.05 1.64 2.88 -1.26 -5.00 113.62 101.45 1wez n SER 5 Ca -0.09 0.16 -0.17 0.00 -1.33 0.00 0.00 58.87 57.43 1wez n SER 5 Cb 0.55 -2.43 -0.14 0.00 -0.75 0.00 0.00 64.21 61.45 1wez n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wez s SER 6 N -1.56 1.08 -0.28 -3.46 1.04 -1.26 -5.13 113.70 104.14 1wez s SER 6 Ca 0.26 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 1wez s SER 6 Cb -0.03 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.04 1wez s SER 6 CO 0.68 0.03 -0.01 -0.83 0.98 0.00 0.00 173.24 174.08 1wez s GLY 7 N -0.66 1.71 -0.11 7.32 0.00 -1.26 -4.87 107.32 109.45 1wez s GLY 7 Ca 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 1wez s GLY 7 CO 0.00 0.62 0.07 -1.14 0.00 0.00 0.00 173.10 172.65 1wez n SER 8 N 4.68 -5.47 -4.01 1.64 3.41 -1.26 -4.98 113.62 107.63 1wez n SER 8 Ca -0.15 1.03 -0.31 0.00 -0.26 0.00 0.00 58.87 59.19 1wez n SER 8 Cb 0.46 -3.26 -0.16 0.00 -0.26 0.00 0.00 64.21 60.98 1wez n SER 8 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wez s SER 9 N -0.70 3.32 -0.17 4.04 0.15 -1.26 -5.10 113.70 113.98 1wez s SER 9 Ca -0.08 -0.84 -0.29 0.00 0.70 0.00 0.00 55.95 55.44 1wez s SER 9 Cb 0.01 -1.26 0.11 0.00 -1.71 0.00 0.00 66.02 63.17 1wez s SER 9 CO 0.36 -0.12 0.94 0.12 1.20 0.00 0.00 173.24 175.73 1wez s PHE 10 N 1.39 -0.46 0.01 3.44 2.19 -1.26 -5.10 117.98 118.19 1wez s PHE 10 Ca -0.00 0.89 -0.01 0.00 0.33 0.00 0.00 56.93 58.13 1wez s PHE 10 Cb -0.16 0.42 -0.00 0.00 -1.31 0.00 0.00 43.02 41.96 1wez s PHE 10 CO -0.09 -0.37 -0.03 0.94 1.83 0.00 0.00 175.22 177.51 1wez n GLN 11 N 1.17 0.04 0.00 10.12 7.27 -1.26 -5.05 117.38 129.67 1wez n GLN 11 Ca -0.12 0.02 0.00 0.00 0.07 0.00 0.00 57.00 56.96 1wez n GLN 11 Cb 0.57 -0.33 0.00 0.00 2.41 0.00 0.00 30.24 32.90 1wez n GLN 11 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1wez n SER 12 N -2.90 0.00 0.00 1.69 3.41 -1.26 -5.08 113.62 109.48 1wez n SER 12 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1wez n SER 12 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1wez n SER 12 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wez n THR 13 N 0.00 0.00 -0.05 6.66 -2.24 -1.26 -4.87 114.28 112.52 1wez n THR 13 Ca 0.00 0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1wez n THR 13 Cb 0.00 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 66.87 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 -1.79 0.64 0.00 4.28 -2.24 -1.26 -5.07 114.28 108.84 1wez n THR 14 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wez n THR 14 Cb 0.00 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 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 2.36 3.05 3.66 3.38 0.00 -1.26 -4.97 105.19 111.41 1wez n GLY 15 Ca -0.20 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 2.95 0.14 1.61 3.76 -1.26 -3.84 115.29 118.65 1wez s HIS 16 Ca 0.00 1.09 -0.04 0.00 -0.15 0.00 0.00 55.06 55.95 1wez s HIS 16 Cb 0.00 -3.47 -0.03 0.00 1.11 0.00 0.00 32.58 30.20 1wez s HIS 16 CO 0.00 -1.51 0.14 0.00 -0.85 0.00 0.00 174.74 172.52 1wez s VAL 18 N -4.01 -0.17 0.24 0.00 1.01 -0.83 -1.23 120.40 115.40 1wez s VAL 18 Ca 0.21 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 1wez s VAL 18 Cb 0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 36.13 1wez s VAL 18 CO 0.01 0.15 0.60 -2.28 0.00 0.00 0.00 175.10 173.58 1wez s HIS 19 N 2.22 3.45 -0.03 5.22 2.46 -0.08 -0.25 115.29 128.28 1wez s HIS 19 Ca 0.04 1.01 0.04 0.00 0.47 0.00 0.00 55.06 56.63 1wez s HIS 19 Cb -0.12 -2.36 -0.00 0.00 -0.13 0.00 0.00 32.58 29.96 1wez s HIS 19 CO -0.04 0.25 -0.14 -1.64 -2.47 0.00 0.00 174.74 170.69 1wez s MET 20 N -2.69 1.37 -0.06 2.88 -1.94 0.55 -1.16 119.30 118.25 1wez s MET 20 Ca 0.47 -0.51 -0.11 0.00 -1.71 0.00 0.00 55.69 53.84 1wez s MET 20 Cb -0.12 -1.26 0.02 0.00 2.01 0.00 0.00 34.83 35.49 1wez s MET 20 CO 0.20 0.25 0.27 1.03 -0.01 0.00 0.00 175.02 176.75 1wez s ARG 21 N -0.08 0.45 -0.56 2.03 0.52 0.09 -0.10 118.95 121.31 1wez s ARG 21 Ca 0.00 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.29 1wez s ARG 21 Cb -0.09 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1wez s ARG 21 CO 0.01 -0.09 0.48 0.41 0.02 0.00 0.00 175.30 176.13 1wez n GLY 22 N 2.23 -0.13 3.95 -3.53 0.00 -1.23 0.21 105.19 106.70 1wez n GLY 22 Ca -0.17 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.24 4.26 0.26 0.99 1.43 -1.03 -3.08 118.68 117.27 1wez s LEU 23 Ca 0.20 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 1wez s LEU 23 Cb -0.03 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 1wez s LEU 23 CO 0.38 -0.08 1.08 -2.16 0.23 0.00 0.00 176.35 175.81 1wez s PRO 24 N -3.79 4.66 0.45 1.29 0.04 -1.26 -4.79 135.00 131.60 1wez s PRO 24 Ca 0.36 1.76 0.24 0.00 0.04 0.00 0.00 61.00 63.40 1wez s PRO 24 Cb -0.10 -3.21 1.32 0.00 0.04 0.00 0.00 34.50 32.55 1wez s PRO 24 CO 0.30 0.22 1.71 -0.92 0.04 0.00 0.00 177.00 178.35 1wez h TYR 25 N 4.04 0.00 -1.39 0.56 3.20 -1.99 -0.14 116.97 121.25 1wez h TYR 25 Ca -0.46 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.77 1wez h TYR 25 Cb 1.21 0.00 -0.36 0.00 1.54 0.00 0.00 36.73 39.12 1wez h TYR 25 CO 0.60 0.00 -0.04 0.54 -1.64 0.00 0.00 178.16 177.61 1wez n ARG 26 N -2.46 3.19 -3.85 1.82 5.12 -1.26 -4.93 116.66 114.28 1wez n ARG 26 Ca -0.02 -3.99 -0.28 0.00 -1.93 0.00 0.00 57.85 51.63 1wez n ARG 26 Cb 0.21 -2.27 -0.16 0.00 -1.16 0.00 0.00 32.46 29.08 1wez n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wez s ALA 27 N -3.74 1.38 0.42 7.54 0.00 -0.07 -5.05 121.76 122.24 1wez s ALA 27 Ca 0.52 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.73 1wez s ALA 27 Cb 0.43 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1wez s ALA 27 CO -0.17 -0.92 0.27 -0.08 0.00 0.00 0.00 175.76 174.86 1wez s THR 28 N 1.68 2.45 0.17 0.00 -1.32 -1.26 -4.90 115.64 112.45 1wez s THR 28 Ca -0.00 -1.54 -0.28 0.00 -1.21 0.00 0.00 61.69 58.66 1wez s THR 28 Cb -0.16 -2.99 -0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1wez s THR 28 CO -0.07 0.00 1.55 -0.33 -2.21 0.00 0.00 174.62 173.56 1wez h GLU 29 N 1.24 -0.12 -1.00 7.08 5.08 -1.96 1.11 114.58 126.02 1wez h GLU 29 Ca -0.42 0.01 0.38 0.00 -1.00 0.00 0.00 59.36 58.33 1wez h GLU 29 Cb 1.26 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.36 1wez h GLU 29 CO 0.64 -0.08 0.51 -0.91 -1.00 0.00 0.00 179.01 178.18 1wez h ASN 30 N -0.12 0.32 -0.08 1.42 2.35 -1.98 1.59 115.58 119.08 1wez h ASN 30 Ca 0.18 0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 56.12 1wez h ASN 30 Cb 0.51 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1wez h ASN 30 CO -0.83 -0.35 -0.14 -0.78 -1.65 0.00 0.00 177.43 173.68 1wez h ASP 31 N 0.09 0.26 0.32 5.81 1.82 0.74 -1.94 116.42 123.53 1wez h ASP 31 Ca 0.80 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1wez h ASP 31 Cb 2.01 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.95 1wez h ASP 31 CO -0.73 0.77 0.00 -0.38 -1.61 0.00 0.00 179.24 177.28 1wez n ILE 32 N -4.61 0.96 0.07 2.25 5.41 0.41 0.10 119.36 123.95 1wez n ILE 32 Ca -0.08 0.51 -0.21 0.00 1.00 0.00 0.00 62.75 63.98 1wez n ILE 32 Cb 0.38 -1.48 -0.15 0.00 -0.71 0.00 0.00 39.64 37.68 1wez n ILE 32 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1wez h TYR 33 N 0.00 0.63 -0.00 1.39 0.05 0.20 -3.30 116.97 115.94 1wez h TYR 33 Ca 0.00 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1wez h TYR 33 Cb 0.16 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1wez h TYR 33 CO 0.00 1.58 -0.54 0.09 -1.05 0.00 0.00 178.16 178.23 1wez n ASN 34 N -3.54 0.79 0.01 3.88 3.02 -0.64 -3.30 115.26 115.49 1wez n ASN 34 Ca -0.22 -0.59 0.13 0.00 -0.03 0.00 0.00 54.58 53.87 1wez n ASN 34 Cb 1.07 0.38 0.47 0.00 -0.61 0.00 0.00 39.78 41.09 1wez n ASN 34 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1wez n PHE 35 N -1.24 0.12 0.11 3.10 7.35 0.28 -3.47 117.46 123.70 1wez n PHE 35 Ca 0.07 0.03 0.01 0.00 -0.76 0.00 0.00 57.45 56.80 1wez n PHE 35 Cb 0.34 -0.48 -0.01 0.00 0.35 0.00 0.00 39.48 39.69 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 -1.60 0.00 -1.38 -5.13 3.72 -1.24 -4.74 117.46 107.09 1wez n PHE 36 Ca 0.06 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.14 1wez n PHE 36 Cb 0.35 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.93 4.38 -0.23 4.37 0.01 -1.21 -3.74 113.70 116.35 1wez s SER 37 Ca 0.02 2.07 -0.29 0.00 1.31 0.00 0.00 55.95 59.05 1wez s SER 37 Cb 0.02 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1wez s SER 37 CO 0.08 -2.12 1.31 -2.16 0.41 0.00 0.00 173.24 170.76 1wez s PRO 38 N -4.36 4.06 0.16 12.44 0.04 -1.26 -5.04 135.00 141.05 1wez s PRO 38 Ca 0.67 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.95 1wez s PRO 38 Cb -0.22 -3.84 0.07 0.00 0.04 0.00 0.00 34.50 30.55 1wez s PRO 38 CO 0.49 -0.93 0.98 -0.51 0.04 0.00 0.00 177.00 177.07 1wez s LEU 39 N 4.01 -0.12 -0.34 -3.56 1.43 -1.25 -5.02 118.68 113.83 1wez s LEU 39 Ca 0.57 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1wez s LEU 39 Cb -0.20 2.14 0.12 0.00 0.03 0.00 0.00 46.19 48.29 1wez s LEU 39 CO 0.20 -0.93 0.18 0.20 0.23 0.00 0.00 176.35 176.22 1wez s ASN 40 N -3.06 3.28 -0.17 2.29 -0.87 -1.26 -5.01 114.94 110.13 1wez s ASN 40 Ca 0.15 -1.91 -0.29 0.00 -1.57 0.00 0.00 52.86 49.23 1wez s ASN 40 Cb -0.02 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.25 40.73 1wez s ASN 40 CO 0.03 -0.35 1.28 -2.16 -2.57 0.00 0.00 177.10 173.33 1wez s PRO 41 N 1.36 4.20 0.34 -0.60 0.04 -1.26 -4.75 135.00 134.34 1wez s PRO 41 Ca 0.15 1.65 0.13 0.00 0.04 0.00 0.00 61.00 62.96 1wez s PRO 41 Cb -0.21 -3.78 1.09 0.00 0.04 0.00 0.00 34.50 31.64 1wez s PRO 41 CO -0.13 -0.75 1.56 -1.33 0.04 0.00 0.00 177.00 176.39 1wez n MET 42 N 6.69 -0.07 -3.62 4.56 2.81 0.38 -4.60 117.12 123.27 1wez n MET 42 Ca 0.14 1.41 -0.07 0.00 -1.81 0.00 0.00 57.70 57.37 1wez n MET 42 Cb 0.45 -2.41 -0.06 0.00 -0.71 0.00 0.00 33.22 30.49 1wez n MET 42 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1wez s ARG 43 N -5.71 0.38 -0.27 0.03 1.70 -1.24 -4.98 118.95 108.87 1wez s ARG 43 Ca -0.11 0.25 -0.00 0.00 -0.47 0.00 0.00 55.73 55.41 1wez s ARG 43 Cb 0.32 0.18 0.05 0.00 -0.57 0.00 0.00 34.95 34.92 1wez s ARG 43 CO 0.77 -0.09 -0.06 0.08 -1.08 0.00 0.00 175.30 174.92 1wez s VAL 44 N -0.46 2.65 -0.04 4.99 1.01 -1.26 -2.01 120.40 125.28 1wez s VAL 44 Ca 0.03 -1.35 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1wez s VAL 44 Cb -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1wez s VAL 44 CO -0.06 0.03 0.66 -2.28 0.00 0.00 0.00 175.10 173.46 1wez s HIS 45 N 1.22 3.61 -0.31 5.22 5.04 0.21 -4.94 115.29 125.34 1wez s HIS 45 Ca -0.05 1.23 -0.02 0.00 -1.54 0.00 0.00 55.06 54.68 1wez s HIS 45 Cb -0.19 -2.74 0.05 0.00 0.04 0.00 0.00 32.58 29.75 1wez s HIS 45 CO -0.04 0.18 0.01 0.42 -2.34 0.00 0.00 174.74 172.98 1wez s ILE 46 N 0.45 3.04 -0.03 0.89 -1.09 -1.26 -1.61 121.20 121.59 1wez s ILE 46 Ca 0.35 -1.40 -0.30 0.00 -2.23 0.00 0.00 60.65 57.07 1wez s ILE 46 Cb -0.18 -2.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.89 1wez s ILE 46 CO 0.18 -0.14 1.38 -0.70 -1.23 0.00 0.00 174.94 174.43 1wez s GLU 47 N 1.25 4.27 -0.12 2.79 2.12 -1.24 -5.00 118.70 122.77 1wez s GLU 47 Ca -0.04 1.91 -0.08 0.00 0.36 0.00 0.00 54.97 57.12 1wez s GLU 47 Cb -0.20 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1wez s GLU 47 CO -0.01 -0.60 0.15 0.42 -0.54 0.00 0.00 175.26 174.68 1wez s ILE 48 N 2.69 5.48 0.00 -3.70 -1.09 -1.26 -2.60 121.20 120.72 1wez s ILE 48 Ca 0.63 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 1wez s ILE 48 Cb -0.29 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1wez s ILE 48 CO 0.25 0.60 0.00 0.61 -1.23 0.00 0.00 174.94 175.17 1wez n GLY 49 N 2.11 -0.26 0.00 6.18 0.00 0.21 -4.81 105.19 108.61 1wez n GLY 49 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 -1.37 1.61 -0.04 -1.26 -4.89 135.00 129.05 1wez n PRO 50 Ca 0.00 0.43 -0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1wez n PRO 50 Cb 0.00 -1.06 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.79 -0.73 0.02 3.54 2.03 -1.26 -4.99 116.55 113.36 1wez n ASP 51 Ca 0.00 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.87 1wez n ASP 51 Cb 0.00 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.38 -0.83 3.60 0.27 0.00 -1.26 -5.15 105.19 101.43 1wez n GLY 52 Ca -0.15 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1wez n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wez s ARG 53 N -2.00 0.17 0.37 1.61 0.52 -1.26 -4.81 118.95 113.54 1wez s ARG 53 Ca 0.00 1.05 0.07 0.00 -0.52 0.00 0.00 55.73 56.33 1wez s ARG 53 Cb 0.00 -1.66 -0.02 0.00 0.52 0.00 0.00 34.95 33.79 1wez s ARG 53 CO 0.00 -3.05 0.39 0.14 0.02 0.00 0.00 175.30 172.79 1wez s VAL 54 N -2.63 3.30 -0.18 3.52 -7.23 -1.26 -0.62 120.40 115.29 1wez s VAL 54 Ca 0.67 -1.25 0.08 0.00 -1.81 0.00 0.00 61.98 59.67 1wez s VAL 54 Cb -0.23 -3.14 -0.16 0.00 0.56 0.00 0.00 36.38 33.40 1wez s VAL 54 CO 0.61 -0.10 -0.07 0.35 -0.31 0.00 0.00 175.10 175.58 1wez n THR 55 N -1.54 1.14 0.00 5.32 -2.24 -1.07 -4.41 114.28 111.48 1wez n THR 55 Ca 0.01 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1wez n THR 55 Cb 0.60 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 2.27 2.14 3.82 3.38 0.00 -1.26 -4.94 105.19 110.61 1wez n GLY 56 Ca -0.31 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 3.97 -0.09 1.61 8.01 -1.26 -2.47 118.70 128.47 1wez s GLU 57 Ca 0.00 1.13 -0.13 0.00 0.01 0.00 0.00 54.97 55.98 1wez s GLU 57 Cb 0.00 -2.13 0.03 0.00 -4.31 0.00 0.00 34.13 27.71 1wez s GLU 57 CO 0.00 -0.26 0.33 0.00 0.01 0.00 0.00 175.26 175.34 1wez s ALA 58 N -2.29 -0.82 -0.06 5.21 0.00 0.86 -3.70 121.76 120.96 1wez s ALA 58 Ca 0.62 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.34 1wez s ALA 58 Cb -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1wez s ALA 58 CO 0.22 -0.20 -0.11 0.34 0.00 0.00 0.00 175.76 176.01 1wez s ASP 59 N -0.35 4.29 0.16 0.00 -1.08 -0.63 0.20 116.67 119.26 1wez s ASP 59 Ca -0.05 -0.12 0.06 0.00 -0.52 0.00 0.00 52.55 51.92 1wez s ASP 59 Cb -0.03 -0.99 -0.04 0.00 -1.46 0.00 0.00 42.92 40.39 1wez s ASP 59 CO 0.02 0.35 -0.13 -0.69 0.52 0.00 0.00 175.17 175.23 1wez s VAL 60 N -0.75 1.45 0.01 1.11 1.01 0.66 0.63 120.40 124.52 1wez s VAL 60 Ca 0.12 -1.99 0.01 0.00 0.00 0.00 0.00 61.98 60.12 1wez s VAL 60 Cb -0.11 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1wez s VAL 60 CO 0.01 -0.56 -0.04 -1.61 0.00 0.00 0.00 175.10 172.90 1wez s GLU 61 N -3.29 0.30 0.01 2.72 8.01 -0.85 -1.97 118.70 123.64 1wez s GLU 61 Ca 0.16 -0.25 0.03 0.00 0.01 0.00 0.00 54.97 54.92 1wez s GLU 61 Cb -0.02 -0.22 -0.01 0.00 -4.31 0.00 0.00 34.13 29.57 1wez s GLU 61 CO 0.04 0.05 -0.10 -0.06 0.01 0.00 0.00 175.26 175.21 1wez s PHE 62 N -0.39 0.85 0.03 1.61 0.08 -0.98 0.14 117.98 119.32 1wez s PHE 62 Ca -0.02 -0.26 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 1wez s PHE 62 Cb -0.03 -0.52 -0.17 0.00 -0.57 0.00 0.00 43.02 41.73 1wez s PHE 62 CO -0.00 -0.01 1.38 0.00 -0.10 0.00 0.00 175.22 176.49 1wez h ALA 63 N 5.41 -0.48 -4.73 5.36 0.00 -1.85 -3.39 119.26 119.58 1wez h ALA 63 Ca -0.33 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1wez h ALA 63 Cb 1.19 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1wez h ALA 63 CO 0.47 -0.66 -0.03 0.25 0.00 0.00 0.00 179.25 179.28 1wez n THR 64 N -5.21 0.00 -0.02 0.00 -2.24 -1.26 -4.79 114.28 100.76 1wez n THR 64 Ca -0.10 -0.57 -0.22 0.00 -2.27 0.00 0.00 64.05 60.89 1wez n THR 64 Cb 0.26 -0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.37 -0.55 4.78 2.76 -1.96 -3.34 115.15 117.29 1wez h HIS 65 Ca -0.08 -0.27 0.11 0.00 -2.20 0.00 0.00 60.37 57.93 1wez h HIS 65 Cb 0.36 -0.01 -0.11 0.00 1.55 0.00 0.00 27.41 29.20 1wez h HIS 65 CO 0.00 1.67 -0.16 0.93 -1.30 0.00 0.00 177.93 179.07 1wez h GLU 66 N -0.26 -0.03 0.00 5.26 4.39 -1.97 1.58 114.58 123.55 1wez h GLU 66 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1wez h GLU 66 Cb 1.81 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1wez h GLU 66 CO 0.01 -0.02 0.04 0.22 -1.16 0.00 0.00 179.01 178.11 1wez h ASP 67 N -0.03 0.00 0.00 1.42 1.82 -1.98 1.57 116.42 119.23 1wez h ASP 67 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1wez h ASP 67 Cb 0.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1wez h ASP 67 CO -0.58 0.00 -0.21 0.00 -1.61 0.00 0.00 179.24 176.84 1wez h ALA 68 N 1.92 0.00 -0.31 -0.78 0.00 0.19 -3.00 119.26 117.28 1wez h ALA 68 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1wez h ALA 68 Cb 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1wez h ALA 68 CO 0.00 0.21 0.21 0.28 0.00 0.00 0.00 179.25 179.95 1wez h VAL 69 N -0.74 1.01 -0.46 0.00 2.07 0.20 -0.81 116.25 117.52 1wez h VAL 69 Ca 0.00 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1wez h VAL 69 Cb 0.21 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1wez h VAL 69 CO 0.00 0.06 0.13 0.00 0.02 0.00 0.00 177.57 177.78 1wez h ALA 70 N 1.82 0.60 -0.26 1.67 0.00 0.21 -1.39 119.26 121.91 1wez h ALA 70 Ca 0.13 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1wez h ALA 70 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wez h ALA 70 CO -0.03 0.27 0.37 0.00 0.00 0.00 0.00 179.25 179.86 1wez h ALA 71 N 0.99 1.84 0.00 0.00 0.00 -0.99 1.15 119.26 122.25 1wez h ALA 71 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wez h ALA 71 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wez h ALA 71 CO -0.00 -0.51 0.00 -1.33 0.00 0.00 0.00 179.25 177.41 1wez n MET 72 N -3.49 0.69 0.12 0.00 2.81 -0.52 -2.72 117.12 114.02 1wez n MET 72 Ca 0.04 0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1wez n MET 72 Cb 0.50 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 32.00 1wez n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wez n ALA 73 N -1.03 1.66 0.14 3.04 0.00 0.40 -1.54 120.51 123.18 1wez n ALA 73 Ca 0.17 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.71 1wez n ALA 73 Cb 0.09 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.20 1wez n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wez n LYS 74 N -2.20 0.70 -1.50 0.00 4.76 -1.10 -4.96 118.16 113.86 1wez n LYS 74 Ca 0.02 -1.11 -0.50 0.00 -2.87 0.00 0.00 58.31 53.85 1wez n LYS 74 Cb 0.23 -1.12 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 1wez n LYS 74 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1wez n ASP 75 N 0.24 0.10 0.00 4.39 5.75 -0.59 -0.51 116.55 125.93 1wez n ASP 75 Ca 0.04 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.97 1wez n ASP 75 Cb 0.20 -1.07 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 1wez n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wez n LYS 76 N 1.27 0.00 -0.95 0.11 5.02 -1.03 -4.89 118.16 117.68 1wez n LYS 76 Ca 0.16 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.08 1wez n LYS 76 Cb 0.23 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.18 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wez n ALA 77 N 0.00 -1.35 -2.22 7.82 0.00 0.34 -3.10 120.51 121.99 1wez n ALA 77 Ca 0.00 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1wez n ALA 77 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 1.08 6.10 0.45 0.00 4.22 -1.26 -4.27 114.94 121.27 1wez s ASN 78 Ca 0.57 0.88 0.23 0.00 -2.14 0.00 0.00 52.86 52.40 1wez s ASN 78 Cb -0.81 -2.54 1.23 0.00 1.28 0.00 0.00 41.25 40.41 1wez s ASN 78 CO 0.42 -1.62 1.84 -0.03 -2.04 0.00 0.00 177.10 175.67 1wez h MET 79 N 11.71 0.26 0.00 3.55 1.85 -1.84 -3.40 114.93 127.07 1wez h MET 79 Ca -0.29 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.78 1wez h MET 79 Cb 1.13 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1wez h MET 79 CO 1.09 0.17 0.00 1.04 -0.40 0.00 0.00 176.91 178.81 1wez n GLN 80 N -4.46 0.00 -0.29 0.39 6.02 -1.26 -5.00 117.38 112.78 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 0.86 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.12 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 -1.54 0.00 -4.30 1.08 1.44 -1.26 -5.08 115.22 105.56 1wez n HIS 81 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 1wez n HIS 81 Cb 0.00 0.03 -0.15 0.00 0.12 0.00 0.00 29.99 29.99 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 0.72 -0.65 -1.40 1.81 -1.26 -5.06 118.95 113.11 1wez s ARG 82 Ca 0.00 -0.26 -0.28 0.00 -1.72 0.00 0.00 55.73 53.48 1wez s ARG 82 Cb 0.00 -0.70 0.03 0.00 -0.45 0.00 0.00 34.95 33.83 1wez s ARG 82 CO 0.00 0.12 1.25 0.71 -0.68 0.00 0.00 175.30 176.70 1wez s TYR 83 N 0.05 2.44 0.08 -0.53 2.02 -1.26 -3.44 117.35 116.71 1wez s TYR 83 Ca -0.00 0.22 -0.20 0.00 -0.37 0.00 0.00 57.07 56.72 1wez s TYR 83 Cb -0.06 -4.56 -0.07 0.00 -0.40 0.00 0.00 41.96 36.88 1wez s TYR 83 CO -0.00 -1.82 0.59 0.14 -1.57 0.00 0.00 175.55 172.88 1wez s VAL 84 N 5.38 4.72 -0.11 0.71 -7.23 -1.18 -4.78 120.40 117.90 1wez s VAL 84 Ca 0.40 1.26 -0.19 0.00 -1.81 0.00 0.00 61.98 61.64 1wez s VAL 84 Cb -0.08 -3.92 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 1wez s VAL 84 CO 0.21 0.55 0.52 -1.61 -0.31 0.00 0.00 175.10 174.45 1wez s GLU 85 N -1.06 4.35 -0.16 4.82 0.41 0.57 -2.47 118.70 125.16 1wez s GLU 85 Ca 0.30 0.52 0.01 0.00 -0.41 0.00 0.00 54.97 55.38 1wez s GLU 85 Cb -0.20 -3.44 0.01 0.00 -1.78 0.00 0.00 34.13 28.72 1wez s GLU 85 CO 0.19 0.13 -0.17 -0.51 -0.49 0.00 0.00 175.26 174.41 1wez s LEU 86 N 0.69 2.32 -0.30 1.80 1.43 -1.26 -0.73 118.68 122.63 1wez s LEU 86 Ca 0.28 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1wez s LEU 86 Cb -0.16 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.58 1wez s LEU 86 CO 0.12 0.06 0.03 -0.36 0.23 0.00 0.00 176.35 176.42 1wez s PHE 87 N 0.98 3.21 -0.59 0.29 0.40 -0.31 -4.88 117.98 117.07 1wez s PHE 87 Ca -0.03 -1.57 -0.28 0.00 -0.60 0.00 0.00 56.93 54.45 1wez s PHE 87 Cb -0.15 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.25 1wez s PHE 87 CO -0.04 -0.74 1.26 -1.17 0.70 0.00 0.00 175.22 175.23 1wez s LEU 88 N 1.34 3.41 -0.33 -0.37 1.98 -1.26 -0.90 118.68 122.54 1wez s LEU 88 Ca -0.02 0.10 -0.01 0.00 -2.89 0.00 0.00 54.13 51.31 1wez s LEU 88 Cb -0.19 -3.07 0.08 0.00 0.66 0.00 0.00 46.19 43.66 1wez s LEU 88 CO -0.00 -1.58 0.05 0.20 -1.89 0.00 0.00 176.35 173.13 1wez s ASN 89 N 3.43 4.92 0.20 3.68 0.01 -0.37 -5.02 114.94 121.79 1wez s ASN 89 Ca 0.45 -1.64 -0.04 0.00 -0.71 0.00 0.00 52.86 50.92 1wez s ASN 89 Cb -0.08 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.84 1wez s ASN 89 CO 0.24 -0.35 0.21 -0.55 -1.51 0.00 0.00 177.10 175.14 1wez s SER 90 N 1.33 0.11 -0.13 -1.22 0.15 -1.26 0.25 113.70 112.92 1wez s SER 90 Ca 0.01 -1.25 0.04 0.00 0.70 0.00 0.00 55.95 55.45 1wez s SER 90 Cb -0.20 0.42 -0.23 0.00 -1.71 0.00 0.00 66.02 64.29 1wez s SER 90 CO -0.04 -0.90 0.30 0.41 1.20 0.00 0.00 173.24 174.22 1wez n THR 91 N -0.27 1.63 -1.03 6.45 -1.04 -1.25 -4.95 114.28 113.82 1wez n THR 91 Ca 0.00 -0.71 0.12 0.00 -2.04 0.00 0.00 64.05 61.43 1wez n THR 91 Cb 0.65 -1.30 -0.04 0.00 -1.82 0.00 0.00 70.33 67.82 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 -2.88 -3.16 0.00 2.41 0.00 -1.26 -5.04 120.51 110.57 1wez n ALA 92 Ca -0.30 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wez n ALA 92 Cb 1.05 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.20 2.44 3.66 0.00 0.00 -1.26 -5.16 105.19 101.67 1wez n GLY 93 Ca -0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1wez n GLY 93 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wez s THR 94 N -2.00 0.00 -0.23 2.61 -1.32 -1.26 -5.15 115.64 108.29 1wez s THR 94 Ca 0.00 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1wez s THR 94 Cb 0.00 -1.57 0.03 0.00 -1.51 0.00 0.00 72.50 69.45 1wez s THR 94 CO 0.00 -0.01 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.35 1wez s SER 95 N -2.85 4.03 -0.27 8.08 1.04 -1.26 -5.06 113.70 117.40 1wez s SER 95 Ca 0.07 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.54 1wez s SER 95 Cb -0.04 -1.58 0.16 0.00 0.10 0.00 0.00 66.02 64.66 1wez s SER 95 CO -0.02 -0.11 0.45 -0.83 0.98 0.00 0.00 173.24 173.71 1wez s GLY 96 N 1.26 -0.64 -0.27 7.32 0.00 -1.26 -5.12 107.32 108.61 1wez s GLY 96 Ca -0.01 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 1wez s GLY 96 CO -0.07 2.98 0.46 -1.35 0.00 0.00 0.00 173.10 175.12 1wez s SER 97 N 2.64 -0.34 0.00 1.64 1.04 -1.26 -5.06 113.70 112.35 1wez s SER 97 Ca 0.14 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1wez s SER 97 Cb -0.14 1.49 0.00 0.00 0.10 0.00 0.00 66.02 67.47 1wez s SER 97 CO -0.21 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1wez n GLY 98 N 5.39 -0.28 3.79 7.32 0.00 -1.26 -5.12 105.19 115.02 1wez n GLY 98 Ca -0.02 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1wez n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wez s PRO 99 N 0.00 3.91 0.24 1.61 0.04 -1.26 -4.96 135.00 134.58 1wez s PRO 99 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1wez s PRO 99 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1wez s PRO 99 CO 0.00 -0.34 0.00 -1.13 0.04 0.00 0.00 177.00 175.57 1wez n SER 100 N -0.70 0.02 -2.45 6.66 3.41 -1.26 -5.14 113.62 114.17 1wez n SER 100 Ca 0.08 0.40 -0.02 0.00 -0.26 0.00 0.00 58.87 59.07 1wez n SER 100 Cb 0.52 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 1wez n SER 100 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wez n SER 101 N -3.40 -6.05 0.00 4.04 7.64 -1.26 -5.32 113.62 109.27 1wez n SER 101 Ca 0.00 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.53 1wez n SER 101 Cb 0.01 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.20 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64