#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 -0.32 0.11 1.61 7.64 -1.26 -4.69 113.62 116.71 1wez n SER 2 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1wez n SER 2 Cb 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1wez n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wez n SER 3 N 1.81 -1.96 0.00 6.43 2.88 -1.26 -5.18 113.62 116.34 1wez n SER 3 Ca 0.18 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1wez n SER 3 Cb 0.20 2.05 0.00 0.00 -0.75 0.00 0.00 64.21 65.72 1wez n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wez n GLY 4 N -1.26 -2.63 2.35 0.46 0.00 -1.26 -5.10 105.19 97.75 1wez n GLY 4 Ca 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 1wez n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 5 N 0.04 -1.96 -4.48 1.61 2.88 -1.26 -5.04 113.62 105.41 1wez n SER 5 Ca 0.00 1.19 -0.29 0.00 -1.33 0.00 0.00 58.87 58.44 1wez n SER 5 Cb 0.00 -4.52 -0.11 0.00 -0.75 0.00 0.00 64.21 58.82 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 -0.54 3.87 0.00 -3.46 1.04 -1.26 -5.12 113.70 108.23 1wez s SER 6 Ca -0.20 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1wez s SER 6 Cb 0.01 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1wez s SER 6 CO 0.54 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.55 1wez n GLY 7 N 0.87 2.93 0.98 7.32 0.00 -1.26 -5.11 105.19 110.92 1wez n GLY 7 Ca -0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1wez n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 8 N 0.00 0.92 -4.75 1.61 2.88 -1.26 -5.05 113.62 107.97 1wez n SER 8 Ca 0.00 0.12 -0.37 0.00 -1.33 0.00 0.00 58.87 57.29 1wez n SER 8 Cb 0.00 -0.29 0.04 0.00 -0.75 0.00 0.00 64.21 63.20 1wez n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wez s SER 9 N -5.79 5.24 0.51 -3.46 0.01 -1.26 -5.00 113.70 103.94 1wez s SER 9 Ca -0.02 2.50 -0.12 0.00 1.31 0.00 0.00 55.95 59.61 1wez s SER 9 Cb 0.00 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 1wez s SER 9 CO 0.03 -1.57 0.92 0.72 0.41 0.00 0.00 173.24 173.75 1wez s PHE 10 N -1.49 3.51 -0.16 2.43 -0.12 -1.26 -5.06 117.98 115.83 1wez s PHE 10 Ca 0.75 1.25 -0.08 0.00 -0.05 0.00 0.00 56.93 58.79 1wez s PHE 10 Cb -0.33 -2.63 -0.04 0.00 -0.63 0.00 0.00 43.02 39.38 1wez s PHE 10 CO 0.37 -0.36 0.14 -0.65 -0.05 0.00 0.00 175.22 174.67 1wez s GLN 11 N -4.34 3.79 -0.56 1.99 -0.21 -1.26 -5.05 119.66 114.02 1wez s GLN 11 Ca 0.55 -0.17 -0.28 0.00 0.02 0.00 0.00 55.36 55.48 1wez s GLN 11 Cb -0.10 -3.30 0.03 0.00 1.00 0.00 0.00 33.01 30.64 1wez s GLN 11 CO 0.38 0.56 1.14 -1.54 -2.12 0.00 0.00 175.29 173.71 1wez s SER 12 N -0.38 6.46 0.33 5.90 1.04 -1.26 -4.96 113.70 120.83 1wez s SER 12 Ca 0.12 0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.60 1wez s SER 12 Cb -0.12 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1wez s SER 12 CO 0.01 -1.40 0.48 0.42 0.98 0.00 0.00 173.24 173.72 1wez s THR 13 N 4.72 0.00 -0.03 2.02 -4.23 -1.26 -5.05 115.64 111.80 1wez s THR 13 Ca 0.42 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1wez s THR 13 Cb -0.08 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1wez s THR 13 CO 0.25 0.00 0.03 0.35 -0.54 0.00 0.00 174.62 174.71 1wez n THR 14 N -0.54 -3.06 -0.37 3.99 -2.24 -1.26 -4.62 114.28 106.17 1wez n THR 14 Ca 0.01 0.52 0.33 0.00 -2.27 0.00 0.00 64.05 62.64 1wez n THR 14 Cb 0.62 -3.27 0.58 0.00 -2.10 0.00 0.00 70.33 66.15 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 2.04 -0.72 3.59 3.38 0.00 -1.26 -3.86 105.19 108.36 1wez n GLY 15 Ca -0.05 0.70 -0.42 0.00 0.00 0.00 0.00 46.02 46.25 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 -5.18 2.18 0.04 1.61 3.76 -1.26 -3.66 115.29 112.78 1wez s HIS 16 Ca -0.07 0.63 -0.05 0.00 -0.15 0.00 0.00 55.06 55.42 1wez s HIS 16 Cb 0.29 -4.27 -0.01 0.00 1.11 0.00 0.00 32.58 29.69 1wez s HIS 16 CO 0.72 -2.23 0.08 0.00 -0.85 0.00 0.00 174.74 172.47 1wez s VAL 18 N -2.52 0.76 0.45 0.00 1.01 0.20 -1.08 120.40 119.22 1wez s VAL 18 Ca -0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1wez s VAL 18 Cb -0.02 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1wez s VAL 18 CO -0.04 0.32 0.81 -2.28 0.00 0.00 0.00 175.10 173.90 1wez s HIS 19 N 1.82 3.51 -0.02 5.22 2.46 -1.11 0.99 115.29 128.16 1wez s HIS 19 Ca 0.05 1.01 0.03 0.00 0.47 0.00 0.00 55.06 56.62 1wez s HIS 19 Cb -0.12 -2.44 -0.00 0.00 -0.13 0.00 0.00 32.58 29.89 1wez s HIS 19 CO -0.07 -0.22 -0.11 -1.64 -2.47 0.00 0.00 174.74 170.23 1wez s MET 20 N -4.26 1.03 -0.04 2.88 -1.94 0.57 -2.86 119.30 114.67 1wez s MET 20 Ca 0.51 -0.37 -0.12 0.00 -1.71 0.00 0.00 55.69 54.00 1wez s MET 20 Cb -0.10 -0.96 0.02 0.00 2.01 0.00 0.00 34.83 35.80 1wez s MET 20 CO 0.38 0.17 0.27 1.03 -0.01 0.00 0.00 175.02 176.86 1wez s ARG 21 N 0.01 0.52 -0.52 2.03 0.52 -0.85 -1.08 118.95 119.56 1wez s ARG 21 Ca -0.00 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1wez s ARG 21 Cb -0.07 0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.62 1wez s ARG 21 CO 0.00 -0.12 0.44 0.41 0.02 0.00 0.00 175.30 176.06 1wez n GLY 22 N 1.87 0.05 3.94 -3.53 0.00 -0.30 0.18 105.19 107.39 1wez n GLY 22 Ca -0.19 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.01 4.12 0.64 0.99 1.43 0.33 -2.89 118.68 119.29 1wez s LEU 23 Ca 0.06 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.45 1wez s LEU 23 Cb -0.01 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 1wez s LEU 23 CO 0.33 -0.18 1.05 -2.16 0.23 0.00 0.00 176.35 175.63 1wez s PRO 24 N -3.89 3.15 0.00 1.29 0.04 -1.26 -4.62 135.00 129.71 1wez s PRO 24 Ca 0.39 1.06 0.14 0.00 0.04 0.00 0.00 61.00 62.62 1wez s PRO 24 Cb -0.10 -2.02 0.60 0.00 0.04 0.00 0.00 34.50 33.02 1wez s PRO 24 CO 0.32 -0.93 1.42 0.98 0.04 0.00 0.00 177.00 178.83 1wez n TYR 25 N -2.59 0.00 -1.74 0.56 9.36 -1.26 -2.07 117.16 119.41 1wez n TYR 25 Ca 0.08 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.18 1wez n TYR 25 Cb 0.53 -0.46 0.12 0.00 -0.63 0.00 0.00 39.34 38.90 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 -1.46 2.59 -3.75 2.98 5.12 -1.26 -4.97 116.66 115.91 1wez n ARG 26 Ca 0.04 -3.67 -0.37 0.00 -1.93 0.00 0.00 57.85 51.92 1wez n ARG 26 Cb 0.15 -1.99 -0.12 0.00 -1.16 0.00 0.00 32.46 29.34 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 -3.44 3.09 0.32 7.54 0.00 -0.88 -5.02 121.76 123.37 1wez s ALA 27 Ca 0.47 -1.49 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1wez s ALA 27 Cb 0.40 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1wez s ALA 27 CO -0.01 -0.98 -0.04 -0.08 0.00 0.00 0.00 175.76 174.65 1wez s THR 28 N 1.50 2.61 0.28 0.00 -1.32 -1.26 -4.94 115.64 112.50 1wez s THR 28 Ca 0.02 -2.08 0.01 0.00 -1.21 0.00 0.00 61.69 58.43 1wez s THR 28 Cb -0.17 -2.70 0.27 0.00 -1.51 0.00 0.00 72.50 68.39 1wez s THR 28 CO 0.03 -0.25 1.69 -0.33 -2.21 0.00 0.00 174.62 173.55 1wez h GLU 29 N 1.93 0.34 -0.99 7.08 5.08 -1.97 0.83 114.58 126.87 1wez h GLU 29 Ca -0.42 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1wez h GLU 29 Cb 1.25 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1wez h GLU 29 CO 0.66 0.22 0.62 -0.91 -1.00 0.00 0.00 179.01 178.60 1wez h ASN 30 N 0.35 0.86 -0.01 1.42 2.35 -1.99 0.56 115.58 119.12 1wez h ASN 30 Ca 0.51 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 56.27 1wez h ASN 30 Cb 0.95 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1wez h ASN 30 CO -0.53 0.42 -0.19 0.44 -1.65 0.00 0.00 177.43 175.92 1wez h ASP 31 N 0.90 0.18 -0.40 5.81 3.32 0.02 -2.91 116.42 123.35 1wez h ASP 31 Ca 0.51 -0.75 0.12 0.00 0.02 0.00 0.00 57.03 56.93 1wez h ASP 31 Cb 0.62 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1wez h ASP 31 CO -0.29 0.91 0.34 0.40 -1.72 0.00 0.00 179.24 178.88 1wez h ILE 32 N -0.52 0.59 -0.22 0.35 2.04 0.85 1.03 117.51 121.63 1wez h ILE 32 Ca -0.02 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 1wez h ILE 32 Cb 0.93 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1wez h ILE 32 CO 0.04 0.00 -0.65 1.88 0.00 0.00 0.00 178.15 179.42 1wez h TYR 33 N 0.00 1.04 0.00 1.37 0.05 0.16 -2.79 116.97 116.80 1wez h TYR 33 Ca 0.19 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1wez h TYR 33 Cb 0.88 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1wez h TYR 33 CO 0.00 1.24 -0.42 0.09 -1.05 0.00 0.00 178.16 178.02 1wez n ASN 34 N -3.97 0.64 0.14 3.88 3.02 0.60 -2.46 115.26 117.12 1wez n ASN 34 Ca -0.06 0.20 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 1wez n ASN 34 Cb 0.68 -0.10 0.30 0.00 -0.61 0.00 0.00 39.78 40.06 1wez n ASN 34 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1wez h PHE 35 N 0.00 0.00 0.00 3.10 3.57 0.11 -3.23 116.94 120.49 1wez h PHE 35 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wez h PHE 35 Cb 0.69 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1wez h PHE 35 CO 0.00 0.00 -0.46 1.19 -2.23 0.00 0.00 178.31 176.81 1wez n PHE 36 N -2.57 0.00 -1.37 0.41 3.72 -1.07 -4.82 117.46 111.76 1wez n PHE 36 Ca 0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1wez n PHE 36 Cb 0.47 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.87 4.39 -0.23 4.37 0.01 -1.03 -3.74 113.70 115.60 1wez s SER 37 Ca 0.03 2.05 -0.29 0.00 1.31 0.00 0.00 55.95 59.05 1wez s SER 37 Cb 0.06 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1wez s SER 37 CO 0.35 -2.12 1.31 -2.16 0.41 0.00 0.00 173.24 171.03 1wez s PRO 38 N -4.38 4.05 0.18 12.44 0.04 -1.26 -5.01 135.00 141.07 1wez s PRO 38 Ca 0.67 1.48 -0.23 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 -0.94 0.99 -0.51 0.04 0.00 0.00 177.00 177.07 1wez s LEU 39 N 4.03 -0.08 -0.33 -3.56 1.43 -1.25 -5.00 118.68 113.92 1wez s LEU 39 Ca 0.57 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1wez s LEU 39 Cb -0.20 2.17 0.12 0.00 0.03 0.00 0.00 46.19 48.32 1wez s LEU 39 CO 0.20 -0.99 0.17 0.20 0.23 0.00 0.00 176.35 176.16 1wez s ASN 40 N -3.15 3.30 -0.07 2.29 -0.87 -1.26 -5.03 114.94 110.15 1wez s ASN 40 Ca 0.17 -1.84 -0.30 0.00 -1.57 0.00 0.00 52.86 49.32 1wez s ASN 40 Cb -0.02 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.25 40.73 1wez s ASN 40 CO 0.04 -0.36 1.23 -2.16 -2.57 0.00 0.00 177.10 173.28 1wez s PRO 41 N 1.45 4.33 0.29 -0.60 0.04 -1.26 -4.76 135.00 134.49 1wez s PRO 41 Ca 0.14 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1wez s PRO 41 Cb -0.20 -3.59 0.70 0.00 0.04 0.00 0.00 34.50 31.45 1wez s PRO 41 CO -0.15 -0.50 1.74 0.52 0.04 0.00 0.00 177.00 178.66 1wez h MET 42 N 7.60 0.58 -1.72 4.56 2.86 0.15 -3.43 114.93 125.53 1wez h MET 42 Ca -0.33 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.31 1wez h MET 42 Cb 1.15 -0.13 -0.25 0.00 0.06 0.00 0.00 31.60 32.44 1wez h MET 42 CO 0.90 0.38 0.34 1.03 1.06 0.00 0.00 176.91 180.62 1wez s ARG 43 N -5.88 0.58 -0.31 1.72 0.52 -1.21 -4.98 118.95 109.39 1wez s ARG 43 Ca -0.11 0.75 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1wez s ARG 43 Cb 0.24 0.26 0.07 0.00 0.52 0.00 0.00 34.95 36.04 1wez s ARG 43 CO 0.79 -0.08 0.01 0.08 0.02 0.00 0.00 175.30 176.12 1wez s VAL 44 N 0.49 2.68 0.09 3.52 1.01 -1.26 -1.61 120.40 125.34 1wez s VAL 44 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 61.98 59.99 1wez s VAL 44 Cb -0.05 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 1wez s VAL 44 CO -0.06 -0.25 0.90 -2.28 0.00 0.00 0.00 175.10 173.41 1wez s HIS 45 N 1.14 3.79 -0.41 5.22 2.46 0.13 -4.88 115.29 122.74 1wez s HIS 45 Ca -0.02 1.70 -0.08 0.00 0.47 0.00 0.00 55.06 57.14 1wez s HIS 45 Cb -0.20 -2.98 0.08 0.00 -0.13 0.00 0.00 32.58 29.35 1wez s HIS 45 CO -0.04 0.23 0.23 0.42 -2.47 0.00 0.00 174.74 173.11 1wez s ILE 46 N -0.03 3.97 -0.31 0.89 -1.09 -1.26 -1.40 121.20 121.97 1wez s ILE 46 Ca 0.44 -1.51 -0.28 0.00 -2.23 0.00 0.00 60.65 57.07 1wez s ILE 46 Cb -0.22 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1wez s ILE 46 CO 0.28 -0.51 2.02 -0.70 -1.23 0.00 0.00 174.94 174.80 1wez s GLU 47 N 1.36 3.13 -0.11 2.79 2.12 -0.86 -4.96 118.70 122.17 1wez s GLU 47 Ca 0.03 1.64 -0.05 0.00 0.36 0.00 0.00 54.97 56.96 1wez s GLU 47 Cb -0.23 -4.31 -0.04 0.00 0.26 0.00 0.00 34.13 29.82 1wez s GLU 47 CO 0.01 -2.10 0.06 0.42 -0.54 0.00 0.00 175.26 173.10 1wez s ILE 48 N 7.95 4.79 1.11 -3.70 -1.09 -1.26 -1.62 121.20 127.38 1wez s ILE 48 Ca 0.89 -0.06 -0.19 0.00 -2.23 0.00 0.00 60.65 59.07 1wez s ILE 48 Cb -0.26 -3.07 0.27 0.00 -1.58 0.00 0.00 42.46 37.82 1wez s ILE 48 CO 0.33 0.59 1.19 0.61 -1.23 0.00 0.00 174.94 176.43 1wez n GLY 49 N 2.33 -2.20 3.03 6.18 0.00 0.26 -4.83 105.19 109.95 1wez n GLY 49 Ca -0.19 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -4.35 2.19 0.00 1.61 -0.04 -1.26 -2.87 135.00 130.28 1wez n PRO 50 Ca 0.16 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1wez n PRO 50 Cb 0.58 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 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 7.55 0.00 0.00 3.54 2.03 -1.26 -4.97 116.55 123.44 1wez n ASP 51 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1wez n ASP 51 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.00 1.30 3.71 0.27 0.00 -1.14 -5.13 105.19 104.21 1wez n GLY 52 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 2.42 -2.03 1.61 1.74 -1.26 -4.38 116.66 114.76 1wez n ARG 53 Ca 0.00 0.86 -0.36 0.00 -0.77 0.00 0.00 57.85 57.58 1wez n ARG 53 Cb 0.00 -2.61 0.03 0.00 -1.02 0.00 0.00 32.46 28.86 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 0.17 2.64 -0.16 1.55 -7.23 -1.26 0.92 120.40 117.03 1wez s VAL 54 Ca 0.68 0.43 0.20 0.00 -1.81 0.00 0.00 61.98 61.47 1wez s VAL 54 Cb -0.57 -3.19 -0.10 0.00 0.56 0.00 0.00 36.38 33.08 1wez s VAL 54 CO 0.46 -0.06 0.86 0.35 -0.31 0.00 0.00 175.10 176.40 1wez n THR 55 N -1.30 0.87 0.00 5.32 -2.24 -0.64 -4.69 114.28 111.60 1wez n THR 55 Ca 0.12 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1wez n THR 55 Cb 0.49 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.31 0.96 3.70 3.38 0.00 -1.26 -4.84 105.19 108.44 1wez n GLY 56 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.59 2.51 -0.01 1.61 2.02 -1.26 -0.52 118.70 122.46 1wez s GLU 57 Ca 0.00 -1.12 -0.25 0.00 0.02 0.00 0.00 54.97 53.61 1wez s GLU 57 Cb 0.00 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.90 1wez s GLU 57 CO 0.00 0.44 0.57 0.00 0.02 0.00 0.00 175.26 176.28 1wez s ALA 58 N -1.88 -1.46 -0.12 5.21 0.00 -0.24 -2.04 121.76 121.23 1wez s ALA 58 Ca 0.29 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1wez s ALA 58 Cb -0.09 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1wez s ALA 58 CO 0.20 -0.40 -0.19 0.34 0.00 0.00 0.00 175.76 175.71 1wez s ASP 59 N -1.48 3.49 -0.11 0.00 2.15 -0.49 0.21 116.67 120.45 1wez s ASP 59 Ca -0.10 -0.47 0.01 0.00 0.43 0.00 0.00 52.55 52.43 1wez s ASP 59 Cb -0.01 -1.50 -0.01 0.00 -0.30 0.00 0.00 42.92 41.09 1wez s ASP 59 CO 0.05 0.15 -0.16 -0.69 -0.17 0.00 0.00 175.17 174.35 1wez s VAL 60 N 0.41 2.83 -0.06 1.11 1.01 0.28 0.21 120.40 126.19 1wez s VAL 60 Ca -0.14 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1wez s VAL 60 Cb -0.17 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1wez s VAL 60 CO 0.06 0.54 -0.23 -1.61 0.00 0.00 0.00 175.10 173.86 1wez s GLU 61 N 0.19 2.63 0.10 2.72 8.01 -0.63 0.62 118.70 132.35 1wez s GLU 61 Ca -0.09 -0.87 0.08 0.00 0.01 0.00 0.00 54.97 54.10 1wez s GLU 61 Cb -0.16 -2.23 -0.03 0.00 -4.31 0.00 0.00 34.13 27.40 1wez s GLU 61 CO 0.06 0.39 -0.20 -0.06 0.01 0.00 0.00 175.26 175.45 1wez s PHE 62 N -0.16 1.72 0.03 1.61 0.08 -1.06 0.18 117.98 120.38 1wez s PHE 62 Ca -0.03 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.34 1wez s PHE 62 Cb -0.14 -0.94 -0.18 0.00 -0.57 0.00 0.00 43.02 41.20 1wez s PHE 62 CO 0.04 0.20 1.49 0.00 -0.10 0.00 0.00 175.22 176.85 1wez h ALA 63 N 4.01 -0.04 -4.57 5.36 0.00 -1.86 -3.42 119.26 118.75 1wez h ALA 63 Ca -0.45 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.12 1wez h ALA 63 Cb 1.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1wez h ALA 63 CO 0.41 -0.40 -0.12 0.25 0.00 0.00 0.00 179.25 179.39 1wez n THR 64 N -4.99 0.00 0.04 0.00 -2.24 -1.26 -4.87 114.28 100.96 1wez n THR 64 Ca -0.08 -0.80 -0.22 0.00 -2.27 0.00 0.00 64.05 60.68 1wez n THR 64 Cb 0.15 -0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.72 0.58 -0.52 4.78 2.76 -1.94 -3.34 115.15 118.20 1wez h HIS 65 Ca -0.13 -0.43 0.10 0.00 -2.20 0.00 0.00 60.37 57.71 1wez h HIS 65 Cb 0.45 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.28 1wez h HIS 65 CO 0.00 1.64 -0.26 0.93 -1.30 0.00 0.00 177.93 178.94 1wez h GLU 66 N -0.07 -0.13 -0.09 5.26 4.39 -1.99 1.49 114.58 123.44 1wez h GLU 66 Ca -0.34 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.40 1wez h GLU 66 Cb 1.95 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1wez h GLU 66 CO 0.12 -0.09 0.19 -0.44 -1.16 0.00 0.00 179.01 177.63 1wez h ASP 67 N -0.14 0.00 0.11 1.42 5.19 -1.99 0.37 116.42 121.38 1wez h ASP 67 Ca 0.23 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1wez h ASP 67 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1wez h ASP 67 CO -0.60 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 175.46 1wez h ALA 68 N 1.71 -0.20 -0.73 3.45 0.00 0.18 -2.64 119.26 121.03 1wez h ALA 68 Ca 0.04 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1wez h ALA 68 Cb 0.41 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1wez h ALA 68 CO -0.00 -0.19 0.30 0.28 0.00 0.00 0.00 179.25 179.65 1wez h VAL 69 N -0.69 0.70 -0.90 0.00 2.07 -0.37 0.57 116.25 117.63 1wez h VAL 69 Ca -0.01 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1wez h VAL 69 Cb 0.11 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.00 1wez h VAL 69 CO 0.02 0.08 0.58 0.00 0.02 0.00 0.00 177.57 178.28 1wez h ALA 70 N 1.52 1.68 0.00 1.67 0.00 -0.40 0.41 119.26 124.13 1wez h ALA 70 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1wez h ALA 70 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wez h ALA 70 CO -0.37 0.12 -0.33 0.00 0.00 0.00 0.00 179.25 178.66 1wez h ALA 71 N 1.57 0.81 0.00 0.00 0.00 0.13 -2.95 119.26 118.81 1wez h ALA 71 Ca 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wez h ALA 71 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wez h ALA 71 CO -0.19 0.42 0.00 -1.33 0.00 0.00 0.00 179.25 178.14 1wez n MET 72 N -3.22 0.76 0.11 0.00 2.81 0.16 -2.46 117.12 115.27 1wez n MET 72 Ca 0.02 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.04 1wez n MET 72 Cb 0.63 -1.50 0.42 0.00 -0.71 0.00 0.00 33.22 32.07 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 -1.00 2.17 -1.29 3.04 0.00 -0.92 -2.80 120.51 119.72 1wez n ALA 73 Ca 0.18 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 1wez n ALA 73 Cb 0.08 -1.46 0.18 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.25 2.20 -2.53 0.00 4.76 -1.03 -4.88 118.16 114.43 1wez n LYS 74 Ca 0.05 -3.07 -0.43 0.00 -2.87 0.00 0.00 58.31 51.99 1wez n LYS 74 Cb 0.39 -2.11 -0.02 0.00 -1.84 0.00 0.00 35.03 31.45 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 -1.60 7.02 0.00 4.39 -4.77 -1.12 -3.16 116.67 117.44 1wez s ASP 75 Ca 0.55 1.56 0.00 0.00 -3.30 0.00 0.00 52.55 51.36 1wez s ASP 75 Cb 0.47 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.76 1wez s ASP 75 CO 0.08 -0.71 0.00 0.29 0.70 0.00 0.00 175.17 175.53 1wez n LYS 76 N 6.42 0.00 -1.42 2.11 4.76 -0.95 -4.95 118.16 124.13 1wez n LYS 76 Ca 0.13 0.00 -0.54 0.00 -2.87 0.00 0.00 58.31 55.03 1wez n LYS 76 Cb 0.45 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.58 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wez n ALA 77 N 0.00 -3.34 -2.38 7.82 0.00 -1.19 -3.96 120.51 117.46 1wez n ALA 77 Ca 0.00 0.54 -0.41 0.00 0.00 0.00 0.00 53.44 53.57 1wez n ALA 77 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1wez n ALA 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wez s ASN 78 N -0.26 5.95 0.01 0.00 3.84 -1.26 -4.07 114.94 119.16 1wez s ASN 78 Ca 0.81 -0.00 -0.03 0.00 0.21 0.00 0.00 52.86 53.84 1wez s ASN 78 Cb -1.13 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 37.00 1wez s ASN 78 CO 0.55 -1.91 1.05 -0.03 -2.79 0.00 0.00 177.10 173.97 1wez h MET 79 N 11.49 -0.08 0.00 0.43 1.85 -1.83 -3.43 114.93 123.37 1wez h MET 79 Ca -0.27 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 1wez h MET 79 Cb 1.09 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1wez h MET 79 CO 1.23 -0.05 0.00 1.04 -0.40 0.00 0.00 176.91 178.73 1wez n GLN 80 N -2.64 0.00 -0.31 0.39 1.13 -1.26 -4.94 117.38 109.75 1wez n GLN 80 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1wez n GLN 80 Cb 0.04 -0.15 0.00 0.00 0.11 0.00 0.00 30.24 30.23 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 -1.82 0.00 -4.16 1.08 1.44 -1.26 -5.09 115.22 105.40 1wez n HIS 81 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1wez n HIS 81 Cb 0.00 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.01 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 0.80 -0.56 -1.40 1.81 -1.26 -5.09 118.95 113.25 1wez s ARG 82 Ca 0.00 -1.18 -0.18 0.00 -1.72 0.00 0.00 55.73 52.64 1wez s ARG 82 Cb 0.00 -0.36 0.09 0.00 -0.45 0.00 0.00 34.95 34.24 1wez s ARG 82 CO 0.00 0.03 0.64 0.71 -0.68 0.00 0.00 175.30 176.00 1wez s TYR 83 N -2.82 3.06 0.08 -0.53 2.02 -1.26 -2.94 117.35 114.96 1wez s TYR 83 Ca 0.06 -0.90 -0.19 0.00 -0.37 0.00 0.00 57.07 55.68 1wez s TYR 83 Cb -0.00 -3.81 -0.07 0.00 -0.40 0.00 0.00 41.96 37.68 1wez s TYR 83 CO -0.02 -1.16 0.56 0.14 -1.57 0.00 0.00 175.55 173.50 1wez s VAL 84 N 2.46 4.76 0.25 0.71 -7.23 -1.14 -4.78 120.40 115.43 1wez s VAL 84 Ca 0.11 1.17 -0.09 0.00 -1.81 0.00 0.00 61.98 61.36 1wez s VAL 84 Cb -0.24 -3.88 -0.07 0.00 0.56 0.00 0.00 36.38 32.76 1wez s VAL 84 CO 0.07 0.52 0.56 -1.61 -0.31 0.00 0.00 175.10 174.34 1wez s GLU 85 N -1.20 3.78 -0.03 4.82 2.02 0.47 -2.24 118.70 126.33 1wez s GLU 85 Ca 0.30 0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.56 1wez s GLU 85 Cb -0.19 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1wez s GLU 85 CO 0.19 0.28 -0.08 -0.51 0.02 0.00 0.00 175.26 175.16 1wez s LEU 86 N -2.97 1.77 -0.24 1.80 1.43 -1.26 -2.01 118.68 117.19 1wez s LEU 86 Ca 0.47 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1wez s LEU 86 Cb -0.11 -0.52 0.05 0.00 0.03 0.00 0.00 46.19 45.64 1wez s LEU 86 CO 0.23 0.06 -0.11 -0.36 0.23 0.00 0.00 176.35 176.40 1wez s PHE 87 N 0.23 2.96 -0.26 0.29 0.40 -1.14 -4.92 117.98 115.55 1wez s PHE 87 Ca -0.03 -2.07 -0.29 0.00 -0.60 0.00 0.00 56.93 53.94 1wez s PHE 87 Cb -0.09 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1wez s PHE 87 CO 0.00 -0.84 1.64 -1.17 0.70 0.00 0.00 175.22 175.56 1wez s LEU 88 N 1.21 3.79 -0.27 -0.37 2.96 -1.26 -2.73 118.68 122.00 1wez s LEU 88 Ca -0.06 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 1wez s LEU 88 Cb -0.19 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.05 1wez s LEU 88 CO -0.06 -1.37 0.00 0.20 -1.32 0.00 0.00 176.35 173.80 1wez s ASN 89 N 4.63 4.03 0.20 3.68 0.01 -0.24 -5.04 114.94 122.20 1wez s ASN 89 Ca 0.73 -1.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.39 1wez s ASN 89 Cb -0.24 -1.18 -0.03 0.00 0.41 0.00 0.00 41.25 40.22 1wez s ASN 89 CO 0.30 -0.30 0.20 -0.55 -1.51 0.00 0.00 177.10 175.24 1wez s SER 90 N 1.37 0.11 -0.10 -1.22 0.15 -1.24 0.19 113.70 112.96 1wez s SER 90 Ca 0.01 -1.24 0.05 0.00 0.70 0.00 0.00 55.95 55.47 1wez s SER 90 Cb -0.18 0.42 -0.10 0.00 -1.71 0.00 0.00 66.02 64.44 1wez s SER 90 CO -0.11 -0.89 -0.03 0.41 1.20 0.00 0.00 173.24 173.82 1wez n THR 91 N -0.27 0.65 0.00 6.45 -1.04 -1.25 -4.89 114.28 113.93 1wez n THR 91 Ca -0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1wez n THR 91 Cb 0.65 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 -2.57 0.00 0.00 2.41 0.00 -1.26 -4.60 120.51 114.50 1wez n ALA 92 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1wez n ALA 92 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 -1.73 3.64 0.00 0.00 -1.26 -5.11 105.19 100.73 1wez n GLY 93 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.00 0.06 2.61 -1.32 -1.26 -5.18 115.64 110.55 1wez s THR 94 Ca 0.00 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 1wez s THR 94 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1wez s THR 94 CO 0.00 0.00 0.24 -0.55 -2.21 0.00 0.00 174.62 172.10 1wez s SER 95 N 1.14 -0.00 0.00 8.08 0.15 -1.26 -5.14 113.70 116.66 1wez s SER 95 Ca -0.06 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1wez s SER 95 Cb -0.04 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1wez s SER 95 CO -0.14 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1wez n GLY 96 N 0.36 3.03 1.69 9.45 0.00 -1.26 -5.15 105.19 113.31 1wez n GLY 96 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1wez n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 97 N 0.00 -8.59 -3.83 1.61 2.88 -1.26 -5.07 113.62 99.36 1wez n SER 97 Ca 0.00 1.20 -0.11 0.00 -1.33 0.00 0.00 58.87 58.63 1wez n SER 97 Cb 0.00 -4.42 -0.08 0.00 -0.75 0.00 0.00 64.21 58.96 1wez n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wez s GLY 98 N -1.69 -0.01 1.07 0.46 0.00 -1.26 -5.17 107.32 100.72 1wez s GLY 98 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 1wez s GLY 98 CO 0.00 -0.34 1.21 2.56 0.00 0.00 0.00 173.10 176.54 1wez s PRO 99 N -2.27 -0.21 -0.21 2.90 0.04 -1.26 -5.08 135.00 128.91 1wez s PRO 99 Ca -0.07 -0.22 -0.04 0.00 0.04 0.00 0.00 61.00 60.71 1wez s PRO 99 Cb -0.02 -1.73 0.09 0.00 0.04 0.00 0.00 34.50 32.88 1wez s PRO 99 CO -0.02 -3.01 0.22 -1.12 0.04 0.00 0.00 177.00 173.10 1wez s SER 100 N -4.38 1.52 0.29 6.66 0.01 -1.26 -5.13 113.70 111.40 1wez s SER 100 Ca 0.72 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 57.38 1wez s SER 100 Cb -0.07 0.33 -0.14 0.00 0.21 0.00 0.00 66.02 66.35 1wez s SER 100 CO 0.54 -0.34 1.05 -1.54 0.41 0.00 0.00 173.24 173.37 1wez n SER 101 N 5.31 1.47 0.00 2.44 3.41 -1.26 -5.39 113.62 119.60 1wez n SER 101 Ca -0.05 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1wez n SER 101 Cb 0.49 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49