#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 2.66 -4.25 1.61 2.88 -1.26 -4.89 113.62 110.38 1wez n SER 2 Ca 0.00 1.05 -0.43 0.00 -1.33 0.00 0.00 58.87 58.16 1wez n SER 2 Cb 0.00 -1.23 -0.04 0.00 -0.75 0.00 0.00 64.21 62.19 1wez n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wez s SER 3 N 3.23 6.42 0.71 -3.46 0.01 -1.26 -4.97 113.70 114.39 1wez s SER 3 Ca 0.94 -3.05 0.00 0.00 1.31 0.00 0.00 55.95 55.15 1wez s SER 3 Cb -0.92 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.22 1wez s SER 3 CO 0.58 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1wez n GLY 4 N 3.38 0.42 3.05 3.44 0.00 -1.26 -4.86 105.19 109.35 1wez n GLY 4 Ca 0.16 0.71 -0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 6.55 -6.89 -3.56 1.61 7.64 -1.26 -5.02 113.62 112.69 1wez n SER 5 Ca 0.00 0.72 -0.15 0.00 1.01 0.00 0.00 58.87 60.45 1wez n SER 5 Cb 0.00 -2.64 -0.06 0.00 -1.01 0.00 0.00 64.21 60.50 1wez n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wez s SER 6 N -1.12 -0.51 0.00 6.43 1.04 -1.26 -5.10 113.70 113.18 1wez s SER 6 Ca -0.01 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1wez s SER 6 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1wez s SER 6 CO 0.22 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1wez n GLY 7 N 0.63 -1.71 3.14 7.32 0.00 -1.26 -5.10 105.19 108.21 1wez n GLY 7 Ca -0.19 0.73 -0.38 0.00 0.00 0.00 0.00 46.02 46.18 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 5.86 0.09 1.61 0.15 -1.26 -5.05 113.70 115.10 1wez s SER 8 Ca 0.00 -3.24 0.02 0.00 0.70 0.00 0.00 55.95 53.43 1wez s SER 8 Cb 0.00 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1wez s SER 8 CO 0.00 -0.31 0.16 -0.94 1.20 0.00 0.00 173.24 173.35 1wez s SER 9 N 0.55 5.93 0.10 5.45 1.04 -1.26 -5.12 113.70 120.41 1wez s SER 9 Ca 0.22 0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.61 1wez s SER 9 Cb -0.13 -1.71 0.03 0.00 0.10 0.00 0.00 66.02 64.31 1wez s SER 9 CO -0.08 0.15 0.35 0.12 0.98 0.00 0.00 173.24 174.76 1wez s PHE 10 N -1.51 -0.14 -0.30 5.02 5.36 -1.26 -5.14 117.98 120.02 1wez s PHE 10 Ca 0.32 -0.15 -0.16 0.00 -0.96 0.00 0.00 56.93 55.97 1wez s PHE 10 Cb -0.12 0.18 0.18 0.00 -0.34 0.00 0.00 43.02 42.92 1wez s PHE 10 CO 0.25 -0.64 1.18 -1.14 -1.46 0.00 0.00 175.22 173.42 1wez s GLN 11 N -3.56 0.01 0.63 10.12 2.00 -1.26 -5.15 119.66 122.45 1wez s GLN 11 Ca 0.02 0.01 -0.18 0.00 -2.00 0.00 0.00 55.36 53.21 1wez s GLN 11 Cb 0.02 0.01 -0.02 0.00 0.80 0.00 0.00 33.01 33.81 1wez s GLN 11 CO -0.10 -0.03 1.23 -1.13 -0.50 0.00 0.00 175.29 174.77 1wez n SER 12 N 4.99 1.86 0.00 6.67 3.41 -1.26 -4.93 113.62 124.37 1wez n SER 12 Ca 0.11 0.84 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1wez n SER 12 Cb 0.59 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 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 -1.80 0.00 0.00 6.66 -2.24 -1.26 -5.05 114.28 110.59 1wez n THR 13 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1wez n THR 13 Cb 0.48 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.30 0.00 0.00 4.28 -2.24 -1.26 -5.09 114.28 107.67 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 0.13 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 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 2.76 2.26 3.58 3.38 0.00 -1.26 -5.03 105.19 110.89 1wez n GLY 15 Ca 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 3.23 0.12 1.61 3.76 -1.26 -3.14 115.29 119.60 1wez s HIS 16 Ca 0.00 0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 55.09 1wez s HIS 16 Cb 0.00 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.05 1wez s HIS 16 CO 0.00 -0.31 0.11 0.00 -0.85 0.00 0.00 174.74 173.68 1wez s VAL 18 N -3.99 0.68 0.21 0.00 1.01 -0.02 -1.74 120.40 116.55 1wez s VAL 18 Ca 0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1wez s VAL 18 Cb 0.06 -0.69 -0.07 0.00 0.00 0.00 0.00 36.38 35.68 1wez s VAL 18 CO -0.02 0.27 0.53 -2.28 0.00 0.00 0.00 175.10 173.59 1wez s HIS 19 N 1.03 3.45 -0.02 5.22 2.46 -1.04 0.70 115.29 127.09 1wez s HIS 19 Ca -0.09 0.86 0.05 0.00 0.47 0.00 0.00 55.06 56.35 1wez s HIS 19 Cb -0.14 -2.24 -0.01 0.00 -0.13 0.00 0.00 32.58 30.05 1wez s HIS 19 CO -0.00 0.31 -0.18 -1.64 -2.47 0.00 0.00 174.74 170.75 1wez s MET 20 N -2.70 1.52 -0.03 2.88 -1.94 0.51 -2.11 119.30 117.43 1wez s MET 20 Ca 0.46 -0.65 -0.17 0.00 -1.71 0.00 0.00 55.69 53.62 1wez s MET 20 Cb -0.12 -1.45 0.03 0.00 2.01 0.00 0.00 34.83 35.30 1wez s MET 20 CO 0.21 0.37 0.36 1.03 -0.01 0.00 0.00 175.02 176.98 1wez s ARG 21 N -0.36 0.70 -0.63 2.03 0.52 -0.88 -0.93 118.95 119.40 1wez s ARG 21 Ca 0.06 -0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1wez s ARG 21 Cb -0.08 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.68 1wez s ARG 21 CO -0.00 -0.19 0.54 0.41 0.02 0.00 0.00 175.30 176.08 1wez n GLY 22 N 1.36 -0.19 3.94 -3.53 0.00 0.23 0.13 105.19 107.13 1wez n GLY 22 Ca -0.21 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.41 4.20 0.78 0.99 1.43 -0.13 -3.39 118.68 118.15 1wez s LEU 23 Ca 0.17 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1wez s LEU 23 Cb -0.02 -3.13 0.06 0.00 0.03 0.00 0.00 46.19 43.12 1wez s LEU 23 CO 0.42 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.83 1wez s PRO 24 N -3.67 2.23 0.24 1.29 0.04 -1.26 -4.60 135.00 129.27 1wez s PRO 24 Ca 0.38 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 1wez s PRO 24 Cb -0.10 -1.93 0.28 0.00 0.04 0.00 0.00 34.50 32.79 1wez s PRO 24 CO 0.31 -1.53 1.76 -0.92 0.04 0.00 0.00 177.00 176.65 1wez h TYR 25 N -1.03 0.96 -1.02 0.56 3.20 -1.98 -2.75 116.97 114.90 1wez h TYR 25 Ca -0.46 -0.12 -0.54 0.00 3.14 0.00 0.00 58.73 60.74 1wez h TYR 25 Cb 1.26 -0.27 -0.21 0.00 1.54 0.00 0.00 36.73 39.05 1wez h TYR 25 CO 0.49 0.83 0.65 0.54 -1.64 0.00 0.00 178.16 179.03 1wez n ARG 26 N -4.23 2.36 -3.71 1.82 1.74 -1.26 -4.79 116.66 108.59 1wez n ARG 26 Ca 0.04 -2.57 -0.38 0.00 -0.77 0.00 0.00 57.85 54.16 1wez n ARG 26 Cb 0.28 -2.04 -0.12 0.00 -1.02 0.00 0.00 32.46 29.55 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 -2.75 3.12 0.33 7.54 0.00 -1.04 -4.97 121.76 123.99 1wez s ALA 27 Ca 0.51 -1.64 0.09 0.00 0.00 0.00 0.00 51.96 50.92 1wez s ALA 27 Cb 0.39 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.12 1wez s ALA 27 CO -0.13 -1.21 -0.08 0.95 0.00 0.00 0.00 175.76 175.30 1wez s THR 28 N 1.48 2.07 0.56 0.00 -4.23 -1.26 -4.96 115.64 109.29 1wez s THR 28 Ca 0.01 -2.17 0.33 0.00 -1.18 0.00 0.00 61.69 58.67 1wez s THR 28 Cb -0.19 -2.63 0.48 0.00 1.34 0.00 0.00 72.50 71.50 1wez s THR 28 CO 0.04 -0.20 1.83 -0.33 -0.54 0.00 0.00 174.62 175.41 1wez h GLU 29 N 2.06 0.00 -0.11 3.99 5.08 -1.97 1.53 114.58 125.17 1wez h GLU 29 Ca -0.42 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 1wez h GLU 29 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1wez h GLU 29 CO 0.70 0.00 -0.33 -0.97 -1.00 0.00 0.00 179.01 177.42 1wez h ASN 30 N 0.00 0.21 0.05 1.42 -1.24 -1.99 -0.19 115.58 113.84 1wez h ASN 30 Ca 0.43 -0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.28 1wez h ASN 30 Cb 1.86 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.86 1wez h ASN 30 CO -0.00 0.53 -0.44 0.44 -1.29 0.00 0.00 177.43 176.66 1wez h ASP 31 N 0.18 0.17 -0.04 1.15 3.32 0.17 -2.92 116.42 118.44 1wez h ASP 31 Ca 0.02 -0.94 0.01 0.00 0.02 0.00 0.00 57.03 56.15 1wez h ASP 31 Cb 0.67 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1wez h ASP 31 CO 0.05 1.20 0.09 0.40 -1.72 0.00 0.00 179.24 179.26 1wez h ILE 32 N -0.76 0.26 0.16 0.35 2.04 -0.86 1.21 117.51 119.90 1wez h ILE 32 Ca -0.09 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.47 1wez h ILE 32 Cb 1.27 0.92 0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1wez h ILE 32 CO 0.03 0.00 -1.26 1.88 0.00 0.00 0.00 178.15 178.81 1wez h TYR 33 N 0.00 0.96 0.00 1.37 0.05 -1.05 -2.74 116.97 115.56 1wez h TYR 33 Ca 0.02 -0.64 -0.08 0.00 0.05 0.00 0.00 58.73 58.08 1wez h TYR 33 Cb 0.19 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1wez h TYR 33 CO 0.00 1.48 -0.60 -0.91 -1.05 0.00 0.00 178.16 177.09 1wez h ASN 34 N 0.18 0.00 0.14 3.88 2.35 -0.85 -2.76 115.58 118.51 1wez h ASN 34 Ca -0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1wez h ASN 34 Cb 1.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.32 1wez h ASN 34 CO 0.24 0.35 -0.07 0.15 -1.65 0.00 0.00 177.43 176.45 1wez h PHE 35 N 0.00 -0.18 0.00 1.19 3.57 0.13 -3.06 116.94 118.60 1wez h PHE 35 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1wez h PHE 35 Cb 1.29 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1wez h PHE 35 CO 0.00 0.21 0.00 0.74 -2.23 0.00 0.00 178.31 177.03 1wez h PHE 36 N -0.61 0.00 -4.20 0.41 0.04 -1.60 -3.45 116.94 107.53 1wez h PHE 36 Ca -0.02 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.23 1wez h PHE 36 Cb 0.46 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.75 1wez h PHE 36 CO 0.05 0.00 0.36 -1.12 -0.60 0.00 0.00 178.31 177.01 1wez s SER 37 N -4.89 4.38 -0.21 2.17 0.01 -1.04 -3.72 113.70 110.40 1wez s SER 37 Ca 0.06 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.21 1wez s SER 37 Cb 0.09 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1wez s SER 37 CO 0.52 -2.13 1.30 -2.16 0.41 0.00 0.00 173.24 171.18 1wez s PRO 38 N -4.11 4.10 0.20 12.44 0.04 -1.26 -4.98 135.00 141.43 1wez s PRO 38 Ca 0.70 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 63.06 1wez s PRO 38 Cb -0.25 -3.82 0.07 0.00 0.04 0.00 0.00 34.50 30.54 1wez s PRO 38 CO 0.46 -0.88 1.00 -0.51 0.04 0.00 0.00 177.00 177.11 1wez s LEU 39 N 3.89 -0.03 -0.33 -3.56 1.43 -1.24 -5.02 118.68 113.82 1wez s LEU 39 Ca 0.57 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1wez s LEU 39 Cb -0.20 2.17 0.12 0.00 0.03 0.00 0.00 46.19 48.31 1wez s LEU 39 CO 0.18 -1.04 0.17 0.20 0.23 0.00 0.00 176.35 176.10 1wez s ASN 40 N -3.27 3.31 -0.05 2.29 -0.87 -1.26 -5.04 114.94 110.05 1wez s ASN 40 Ca 0.19 -1.83 -0.30 0.00 -1.57 0.00 0.00 52.86 49.35 1wez s ASN 40 Cb -0.03 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.25 40.71 1wez s ASN 40 CO 0.05 -0.36 1.22 -2.16 -2.57 0.00 0.00 177.10 173.27 1wez s PRO 41 N 1.46 4.35 0.28 -0.60 0.04 -1.26 -4.82 135.00 134.44 1wez s PRO 41 Ca 0.14 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1wez s PRO 41 Cb -0.20 -3.55 0.68 0.00 0.04 0.00 0.00 34.50 31.46 1wez s PRO 41 CO -0.16 -0.45 1.68 0.52 0.04 0.00 0.00 177.00 178.64 1wez h MET 42 N 7.47 0.33 -1.75 4.56 2.86 0.13 -3.42 114.93 125.10 1wez h MET 42 Ca -0.35 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1wez h MET 42 Cb 1.16 -0.07 -0.24 0.00 0.06 0.00 0.00 31.60 32.51 1wez h MET 42 CO 0.88 0.22 0.30 1.03 1.06 0.00 0.00 176.91 180.40 1wez s ARG 43 N -5.92 0.61 -0.27 1.72 0.52 -1.25 -4.98 118.95 109.38 1wez s ARG 43 Ca -0.12 0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 55.86 1wez s ARG 43 Cb 0.25 0.26 0.03 0.00 0.52 0.00 0.00 34.95 36.01 1wez s ARG 43 CO 0.77 -0.08 -0.02 0.08 0.02 0.00 0.00 175.30 176.07 1wez s VAL 44 N 0.57 3.11 -0.01 3.52 1.01 -1.26 -2.80 120.40 124.54 1wez s VAL 44 Ca -0.01 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 1wez s VAL 44 Cb -0.05 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1wez s VAL 44 CO -0.07 0.07 0.47 -2.28 0.00 0.00 0.00 175.10 173.30 1wez s HIS 45 N 1.33 3.70 -0.16 5.22 5.04 -0.21 -4.97 115.29 125.23 1wez s HIS 45 Ca -0.01 1.05 -0.00 0.00 -1.54 0.00 0.00 55.06 54.55 1wez s HIS 45 Cb -0.18 -2.41 -0.00 0.00 0.04 0.00 0.00 32.58 30.03 1wez s HIS 45 CO -0.02 0.51 -0.14 0.42 -2.34 0.00 0.00 174.74 173.17 1wez s ILE 46 N -0.67 2.76 -0.09 0.89 -1.09 -1.26 -2.93 121.20 118.81 1wez s ILE 46 Ca 0.26 -0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 57.82 1wez s ILE 46 Cb -0.17 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 1wez s ILE 46 CO 0.14 0.50 0.32 -0.70 -1.23 0.00 0.00 174.94 173.97 1wez s GLU 47 N 0.91 3.98 -0.05 2.79 2.12 -1.25 -5.08 118.70 122.12 1wez s GLU 47 Ca -0.03 0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 1wez s GLU 47 Cb -0.15 -3.30 0.03 0.00 0.26 0.00 0.00 34.13 30.96 1wez s GLU 47 CO -0.01 0.51 -0.01 0.42 -0.54 0.00 0.00 175.26 175.62 1wez s ILE 48 N -0.38 0.39 0.00 -3.70 -1.09 -1.26 -2.93 121.20 112.22 1wez s ILE 48 Ca 0.19 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1wez s ILE 48 Cb -0.14 -0.48 0.00 0.00 -1.58 0.00 0.00 42.46 40.25 1wez s ILE 48 CO 0.08 0.22 0.15 0.61 -1.23 0.00 0.00 174.94 174.77 1wez n GLY 49 N 4.54 -1.75 0.00 6.18 0.00 -0.93 -3.80 105.19 109.42 1wez n GLY 49 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.19 0.75 -1.65 1.61 -0.04 -1.26 -4.80 135.00 129.43 1wez n PRO 50 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wez n PRO 50 Cb 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1wez n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wez n ASP 51 N -0.83 -1.34 0.00 3.54 8.00 -1.25 -4.87 116.55 119.79 1wez n ASP 51 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1wez n ASP 51 Cb 0.06 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wez n GLY 52 N -1.43 -0.01 3.58 0.44 0.00 -1.26 -5.08 105.19 101.44 1wez n GLY 52 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1wez n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wez s ARG 53 N -1.45 2.65 0.59 1.61 1.70 -1.26 -5.03 118.95 117.76 1wez s ARG 53 Ca 0.00 -0.63 -0.17 0.00 -0.47 0.00 0.00 55.73 54.46 1wez s ARG 53 Cb 0.00 -2.54 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 1wez s ARG 53 CO 0.00 0.63 1.08 0.14 -1.08 0.00 0.00 175.30 176.08 1wez s VAL 54 N -0.89 3.53 -0.09 4.99 -7.23 -1.26 -2.19 120.40 117.26 1wez s VAL 54 Ca 0.15 0.79 0.15 0.00 -1.81 0.00 0.00 61.98 61.25 1wez s VAL 54 Cb -0.11 -3.30 -0.12 0.00 0.56 0.00 0.00 36.38 33.41 1wez s VAL 54 CO 0.04 -0.36 0.96 0.71 -0.31 0.00 0.00 175.10 176.14 1wez h THR 55 N 0.62 0.75 0.00 5.32 1.35 -1.90 -3.45 112.91 115.61 1wez h THR 55 Ca -0.48 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 1wez h THR 55 Cb 1.23 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1wez h THR 55 CO 0.57 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 1wez n GLY 56 N 1.39 1.00 3.52 5.82 0.00 -1.26 -4.85 105.19 110.80 1wez n GLY 56 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.42 1.86 -0.05 1.61 2.02 -1.26 0.77 118.70 123.24 1wez s GLU 57 Ca 0.00 -1.35 -0.24 0.00 0.02 0.00 0.00 54.97 53.40 1wez s GLU 57 Cb 0.00 -2.05 0.05 0.00 0.10 0.00 0.00 34.13 32.23 1wez s GLU 57 CO 0.00 0.42 0.54 0.00 0.02 0.00 0.00 175.26 176.24 1wez s ALA 58 N -1.67 -1.38 -0.12 5.21 0.00 -0.10 -3.79 121.76 119.91 1wez s ALA 58 Ca 0.23 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1wez s ALA 58 Cb -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1wez s ALA 58 CO 0.13 -0.32 -0.13 0.34 0.00 0.00 0.00 175.76 175.78 1wez s ASP 59 N -1.12 4.08 0.21 0.00 -1.08 -1.15 0.19 116.67 117.80 1wez s ASP 59 Ca -0.11 -0.28 0.11 0.00 -0.52 0.00 0.00 52.55 51.75 1wez s ASP 59 Cb -0.02 -1.47 -0.05 0.00 -1.46 0.00 0.00 42.92 39.92 1wez s ASP 59 CO 0.07 0.20 -0.23 -0.69 0.52 0.00 0.00 175.17 175.05 1wez s VAL 60 N 0.12 2.35 0.01 1.11 1.01 0.22 -1.05 120.40 124.17 1wez s VAL 60 Ca -0.06 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.82 1wez s VAL 60 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1wez s VAL 60 CO 0.05 -0.19 -0.02 -0.70 0.00 0.00 0.00 175.10 174.24 1wez s GLU 61 N -2.86 0.17 -0.01 2.72 -6.30 -1.12 -0.84 118.70 110.46 1wez s GLU 61 Ca 0.22 -0.27 0.00 0.00 -2.50 0.00 0.00 54.97 52.42 1wez s GLU 61 Cb -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 34.13 34.07 1wez s GLU 61 CO 0.11 -0.01 0.01 -0.06 0.02 0.00 0.00 175.26 175.33 1wez s PHE 62 N -0.61 0.07 0.13 5.30 0.08 -0.74 0.16 117.98 122.37 1wez s PHE 62 Ca -0.06 0.04 -0.29 0.00 0.12 0.00 0.00 56.93 56.74 1wez s PHE 62 Cb -0.04 -0.14 -0.06 0.00 -0.57 0.00 0.00 43.02 42.21 1wez s PHE 62 CO -0.00 -0.04 1.59 0.00 -0.10 0.00 0.00 175.22 176.66 1wez h ALA 63 N 6.64 -0.61 -6.39 5.36 0.00 -1.88 -3.38 119.26 119.01 1wez h ALA 63 Ca -0.34 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 1wez h ALA 63 Cb 1.17 0.76 0.02 0.00 0.00 0.00 0.00 17.79 19.74 1wez h ALA 63 CO 0.50 -0.93 -0.07 0.25 0.00 0.00 0.00 179.25 178.99 1wez n THR 64 N -5.44 0.00 0.04 0.00 -2.24 -1.26 -4.73 114.28 100.65 1wez n THR 64 Ca -0.05 -1.83 -0.22 0.00 -2.27 0.00 0.00 64.05 59.69 1wez n THR 64 Cb 0.36 -0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 67.93 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 0.12 0.56 -0.42 4.78 2.76 -1.94 -3.34 115.15 117.67 1wez h HIS 65 Ca -0.26 -0.41 0.05 0.00 -2.20 0.00 0.00 60.37 57.55 1wez h HIS 65 Cb 1.17 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 30.03 1wez h HIS 65 CO 0.00 1.52 -0.55 0.93 -1.30 0.00 0.00 177.93 178.52 1wez h GLU 66 N -0.22 -0.37 -0.55 5.26 5.08 -1.97 1.36 114.58 123.17 1wez h GLU 66 Ca -0.27 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1wez h GLU 66 Cb 1.82 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 1wez h GLU 66 CO 0.12 -0.25 0.69 0.22 -1.00 0.00 0.00 179.01 178.79 1wez h ASP 67 N -0.38 0.00 0.13 1.42 1.82 -1.97 0.64 116.42 118.08 1wez h ASP 67 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1wez h ASP 67 Cb 0.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1wez h ASP 67 CO -0.60 0.00 -0.06 0.00 -1.61 0.00 0.00 179.24 176.97 1wez h ALA 68 N 1.14 -0.26 -0.89 -0.78 0.00 0.16 -2.81 119.26 115.82 1wez h ALA 68 Ca 0.26 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.33 1wez h ALA 68 Cb 1.63 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 1wez h ALA 68 CO -0.00 -0.25 0.59 0.28 0.00 0.00 0.00 179.25 179.87 1wez h VAL 69 N -0.64 0.70 -0.36 0.00 2.07 0.82 0.28 116.25 119.11 1wez h VAL 69 Ca -0.02 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1wez h VAL 69 Cb 0.13 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1wez h VAL 69 CO 0.03 0.08 0.17 0.00 0.02 0.00 0.00 177.57 177.86 1wez h ALA 70 N 1.61 0.44 0.00 1.67 0.00 0.13 -0.45 119.26 122.66 1wez h ALA 70 Ca 0.46 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 1wez h ALA 70 Cb 1.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1wez h ALA 70 CO -0.18 -0.21 -0.39 0.00 0.00 0.00 0.00 179.25 178.48 1wez h ALA 71 N 1.20 1.07 0.00 0.00 0.00 -0.31 -2.17 119.26 119.05 1wez h ALA 71 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wez h ALA 71 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wez h ALA 71 CO -0.12 0.49 0.00 -1.33 0.00 0.00 0.00 179.25 178.29 1wez n MET 72 N -3.66 0.37 0.13 0.00 2.81 0.42 -1.93 117.12 115.26 1wez n MET 72 Ca -0.01 0.08 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 1wez n MET 72 Cb 0.49 -1.50 0.39 0.00 -0.71 0.00 0.00 33.22 31.89 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 2.95 1.00 -0.49 3.04 0.00 -0.76 -2.72 119.26 122.28 1wez h ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wez h ALA 73 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wez h ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1wez n LYS 74 N -2.39 2.18 -1.67 0.00 4.76 -0.81 -4.85 118.16 115.38 1wez n LYS 74 Ca 0.05 -1.83 -0.45 0.00 -2.87 0.00 0.00 58.31 53.21 1wez n LYS 74 Cb 0.42 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 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 0.99 2.79 0.00 4.39 5.75 -1.03 -1.94 116.55 127.51 1wez n ASP 75 Ca 0.17 1.13 0.00 0.00 -0.01 0.00 0.00 54.79 56.08 1wez n ASP 75 Cb 0.44 -1.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 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 2.35 0.00 -0.67 0.11 5.02 0.22 -4.89 118.16 120.29 1wez n LYS 76 Ca 0.13 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.16 1wez n LYS 76 Cb 0.30 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.28 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 -1.41 -1.88 7.82 0.00 -0.82 -2.79 120.51 121.43 1wez n ALA 77 Ca 0.00 0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 1wez n ALA 77 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 0.44 4.90 0.12 0.00 4.22 -1.26 -3.60 114.94 119.75 1wez s ASN 78 Ca 0.41 0.27 -0.25 0.00 -2.14 0.00 0.00 52.86 51.15 1wez s ASN 78 Cb -0.57 -2.53 -0.06 0.00 1.28 0.00 0.00 41.25 39.36 1wez s ASN 78 CO 0.28 -2.73 1.42 -0.03 -2.04 0.00 0.00 177.10 174.00 1wez h MET 79 N 15.07 -0.10 0.00 3.55 1.85 -1.71 -3.42 114.93 130.18 1wez h MET 79 Ca -0.15 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1wez h MET 79 Cb 1.14 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.19 1wez h MET 79 CO 1.18 -0.07 0.00 1.04 -0.40 0.00 0.00 176.91 178.66 1wez n GLN 80 N -4.76 0.00 -0.03 0.39 6.02 -1.26 -4.95 117.38 112.79 1wez n GLN 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wez n GLN 80 Cb 0.22 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.48 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 -2.00 0.00 -4.10 1.08 1.44 -1.26 -5.07 115.22 105.31 1wez n HIS 81 Ca 0.00 -0.10 -0.12 0.00 -2.01 0.00 0.00 57.72 55.49 1wez n HIS 81 Cb 0.00 -0.01 -0.11 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 -0.21 0.64 -0.56 -1.40 1.81 -1.26 -5.10 118.95 112.88 1wez s ARG 82 Ca 0.00 -0.96 -0.26 0.00 -1.72 0.00 0.00 55.73 52.79 1wez s ARG 82 Cb 0.00 -0.27 0.03 0.00 -0.45 0.00 0.00 34.95 34.26 1wez s ARG 82 CO 0.00 0.03 1.07 0.71 -0.68 0.00 0.00 175.30 176.43 1wez s TYR 83 N -2.14 2.71 0.38 -0.53 2.02 -1.26 -2.29 117.35 116.23 1wez s TYR 83 Ca -0.02 0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.85 1wez s TYR 83 Cb -0.05 -4.30 -0.06 0.00 -0.40 0.00 0.00 41.96 37.15 1wez s TYR 83 CO -0.01 -1.45 0.71 0.08 -1.57 0.00 0.00 175.55 173.31 1wez s VAL 84 N 4.46 4.86 0.09 0.71 1.01 -1.12 -4.74 120.40 125.66 1wez s VAL 84 Ca 0.38 0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1wez s VAL 84 Cb -0.10 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1wez s VAL 84 CO 0.23 -0.48 -0.10 -1.61 0.00 0.00 0.00 175.10 173.14 1wez s GLU 85 N -3.80 2.17 -0.03 2.72 0.41 0.35 -0.61 118.70 119.91 1wez s GLU 85 Ca 0.49 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 54.06 1wez s GLU 85 Cb -0.10 -2.32 0.03 0.00 -1.78 0.00 0.00 34.13 29.95 1wez s GLU 85 CO 0.31 0.52 0.01 -0.51 -0.49 0.00 0.00 175.26 175.10 1wez s LEU 86 N -2.07 1.09 -0.28 1.80 1.43 -1.26 -2.07 118.68 117.31 1wez s LEU 86 Ca 0.20 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1wez s LEU 86 Cb -0.11 -0.18 0.05 0.00 0.03 0.00 0.00 46.19 45.97 1wez s LEU 86 CO 0.13 -0.12 -0.03 -0.36 0.23 0.00 0.00 176.35 176.20 1wez s PHE 87 N 1.10 3.24 -0.17 0.29 0.40 -0.90 -4.90 117.98 117.04 1wez s PHE 87 Ca -0.09 -1.93 -0.29 0.00 -0.60 0.00 0.00 56.93 54.03 1wez s PHE 87 Cb -0.13 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1wez s PHE 87 CO -0.02 -0.81 1.85 -1.17 0.70 0.00 0.00 175.22 175.77 1wez s LEU 88 N 1.23 3.89 -0.28 -0.37 2.96 -1.26 -2.51 118.68 122.34 1wez s LEU 88 Ca -0.05 1.91 -0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1wez s LEU 88 Cb -0.19 -3.53 0.09 0.00 0.50 0.00 0.00 46.19 43.06 1wez s LEU 88 CO -0.02 -1.41 0.05 0.20 -1.32 0.00 0.00 176.35 173.86 1wez s ASN 89 N 5.36 3.89 0.21 3.68 0.01 -0.71 -5.02 114.94 122.35 1wez s ASN 89 Ca 0.83 -1.47 -0.05 0.00 -0.71 0.00 0.00 52.86 51.45 1wez s ASN 89 Cb -0.31 -0.96 -0.03 0.00 0.41 0.00 0.00 41.25 40.37 1wez s ASN 89 CO 0.34 -0.36 0.25 -0.55 -1.51 0.00 0.00 177.10 175.26 1wez s SER 90 N 1.54 0.07 -0.17 -1.22 0.15 -1.26 0.96 113.70 113.77 1wez s SER 90 Ca 0.05 -1.22 0.14 0.00 0.70 0.00 0.00 55.95 55.62 1wez s SER 90 Cb -0.18 0.45 -0.20 0.00 -1.71 0.00 0.00 66.02 64.38 1wez s SER 90 CO -0.17 -0.94 0.04 0.41 1.20 0.00 0.00 173.24 173.78 1wez n THR 91 N -0.30 1.17 -1.21 6.45 -1.04 -1.19 -4.94 114.28 113.23 1wez n THR 91 Ca 0.01 -0.70 0.14 0.00 -2.04 0.00 0.00 64.05 61.46 1wez n THR 91 Cb 0.65 -0.61 -0.05 0.00 -1.82 0.00 0.00 70.33 68.49 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 -2.67 -3.36 0.01 2.41 0.00 -1.26 -5.01 120.51 110.62 1wez n ALA 92 Ca -0.29 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1wez n ALA 92 Cb 1.04 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -3.70 -0.28 3.17 0.00 0.00 -1.26 -5.07 105.19 98.05 1wez n GLY 93 Ca -0.03 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.06 2.84 -0.12 2.61 -1.32 -1.26 -4.99 115.64 112.35 1wez s THR 94 Ca 0.00 -1.26 -0.05 0.00 -1.21 0.00 0.00 61.69 59.17 1wez s THR 94 Cb 0.00 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.42 1wez s THR 94 CO 0.00 0.03 -0.10 0.28 -2.21 0.00 0.00 174.62 172.62 1wez h SER 95 N 7.98 0.00 0.00 8.08 0.02 -2.01 -3.51 113.55 124.11 1wez h SER 95 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1wez h SER 95 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1wez h SER 95 CO 0.54 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.49 1wez n GLY 96 N 1.69 -2.06 3.35 -3.77 0.00 -1.26 -5.18 105.19 97.96 1wez n GLY 96 Ca -0.04 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1wez n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 97 N -0.47 -0.34 0.02 1.61 1.04 -1.26 -5.18 113.70 109.12 1wez s SER 97 Ca 0.00 -0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 1wez s SER 97 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1wez s SER 97 CO 0.00 -0.77 0.03 0.61 0.98 0.00 0.00 173.24 174.10 1wez n GLY 98 N 0.15 2.46 0.14 7.32 0.00 -1.26 -5.07 105.19 108.94 1wez n GLY 98 Ca -0.17 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 1wez n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wez h PRO 99 N 0.00 0.39 -4.79 1.61 0.13 -2.08 -3.50 132.00 123.76 1wez h PRO 99 Ca -0.02 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1wez h PRO 99 Cb 0.06 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.25 1wez h PRO 99 CO 0.02 1.04 -1.19 0.43 -0.23 0.00 0.00 178.00 178.08 1wez n SER 100 N -4.29 -6.58 -4.69 1.44 7.64 -1.26 -4.87 113.62 101.01 1wez n SER 100 Ca -0.10 1.70 -0.42 0.00 1.01 0.00 0.00 58.87 61.06 1wez n SER 100 Cb 0.61 -5.23 -0.03 0.00 -1.01 0.00 0.00 64.21 58.56 1wez n SER 100 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wez s SER 101 N -0.62 7.04 0.00 6.43 0.15 -1.26 -5.33 113.70 120.11 1wez s SER 101 Ca -0.09 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.40 1wez s SER 101 Cb 0.01 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wez s SER 101 CO 0.26 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.72