#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 0.29 -0.05 1.61 0.01 -1.26 -5.16 113.70 109.15 1wez s SER 2 Ca 0.00 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.53 1wez s SER 2 Cb 0.00 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.49 1wez s SER 2 CO 0.00 -0.59 -0.06 -0.44 0.41 0.00 0.00 173.24 172.57 1wez s SER 3 N -2.58 1.13 0.12 2.44 0.01 -1.26 -5.14 113.70 108.42 1wez s SER 3 Ca 0.02 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wez s SER 3 Cb 0.03 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1wez s SER 3 CO -0.08 -0.04 0.16 0.61 0.41 0.00 0.00 173.24 174.29 1wez n GLY 4 N 4.04 2.95 0.69 3.44 0.00 -1.26 -5.10 105.19 109.94 1wez n GLY 4 Ca -0.24 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 1wez n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wez n SER 5 N -2.07 1.32 -3.26 1.61 7.64 -1.26 -5.08 113.62 112.52 1wez n SER 5 Ca 0.01 0.20 -0.17 0.00 1.01 0.00 0.00 58.87 59.91 1wez n SER 5 Cb 0.20 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 62.96 1wez n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wez n SER 6 N -3.80 -6.34 -3.72 6.43 2.88 -1.26 -5.01 113.62 102.81 1wez n SER 6 Ca -0.08 0.26 -0.11 0.00 -1.33 0.00 0.00 58.87 57.61 1wez n SER 6 Cb 0.27 -2.21 -0.07 0.00 -0.75 0.00 0.00 64.21 61.46 1wez n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wez s GLY 7 N -1.37 -0.16 -0.76 0.46 0.00 -1.26 -5.11 107.32 99.11 1wez s GLY 7 Ca 0.18 -0.00 -0.22 0.00 0.00 0.00 0.00 44.72 44.68 1wez s GLY 7 CO 0.50 -0.23 1.06 -0.45 0.00 0.00 0.00 173.10 173.98 1wez s SER 8 N -2.28 6.32 -0.20 1.64 0.15 -1.26 -4.93 113.70 113.14 1wez s SER 8 Ca -0.02 -1.27 -0.32 0.00 0.70 0.00 0.00 55.95 55.04 1wez s SER 8 Cb 0.00 -2.43 0.15 0.00 -1.71 0.00 0.00 66.02 62.03 1wez s SER 8 CO -0.06 -1.37 1.18 -0.55 1.20 0.00 0.00 173.24 173.64 1wez s SER 9 N 3.77 -0.18 0.26 5.45 0.15 -1.26 -5.16 113.70 116.74 1wez s SER 9 Ca 0.27 0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.78 1wez s SER 9 Cb -0.12 0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 64.27 1wez s SER 9 CO 0.04 -0.23 0.89 0.12 1.20 0.00 0.00 173.24 175.27 1wez s PHE 10 N -1.68 3.81 -0.43 3.44 5.36 -1.26 -5.01 117.98 122.20 1wez s PHE 10 Ca 0.06 1.76 0.07 0.00 -0.96 0.00 0.00 56.93 57.86 1wez s PHE 10 Cb -0.01 -2.88 0.23 0.00 -0.34 0.00 0.00 43.02 40.02 1wez s PHE 10 CO -0.04 0.35 0.63 0.00 -1.46 0.00 0.00 175.22 174.70 1wez n GLN 11 N 1.01 0.66 -1.64 10.12 10.64 -1.26 -5.10 117.38 131.81 1wez n GLN 11 Ca -0.01 -2.65 -0.43 0.00 -1.83 0.00 0.00 57.00 52.08 1wez n GLN 11 Cb 0.49 -1.37 -0.03 0.00 -0.86 0.00 0.00 30.24 28.47 1wez n GLN 11 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1wez s SER 12 N -1.05 5.73 -0.01 2.61 1.04 -1.26 -4.85 113.70 115.91 1wez s SER 12 Ca 0.33 2.08 -0.01 0.00 0.48 0.00 0.00 55.95 58.84 1wez s SER 12 Cb 0.16 -2.52 -0.00 0.00 0.10 0.00 0.00 66.02 63.76 1wez s SER 12 CO -0.16 -1.72 -0.02 0.35 0.98 0.00 0.00 173.24 172.68 1wez n THR 13 N 7.16 0.09 -0.07 2.02 -2.24 -1.26 -4.93 114.28 115.04 1wez n THR 13 Ca 0.27 0.48 -0.15 0.00 -2.27 0.00 0.00 64.05 62.38 1wez n THR 13 Cb 0.44 -1.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 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 -2.54 1.05 0.00 4.28 -2.24 -1.26 -5.07 114.28 108.50 1wez n THR 14 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wez n THR 14 Cb 0.03 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.44 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 2.01 3.72 3.62 3.38 0.00 -1.26 -4.97 105.19 111.69 1wez n GLY 15 Ca -0.27 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 3.18 -0.01 1.61 3.76 -1.26 -3.35 115.29 119.22 1wez s HIS 16 Ca 0.00 0.91 -0.04 0.00 -0.15 0.00 0.00 55.06 55.78 1wez s HIS 16 Cb 0.00 -3.38 -0.00 0.00 1.11 0.00 0.00 32.58 30.31 1wez s HIS 16 CO 0.00 -0.64 0.09 0.00 -0.85 0.00 0.00 174.74 173.34 1wez s VAL 18 N -0.97 1.73 0.46 0.00 1.01 0.55 -1.04 120.40 122.13 1wez s VAL 18 Ca -0.11 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1wez s VAL 18 Cb -0.06 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1wez s VAL 18 CO 0.01 0.48 0.82 -2.28 0.00 0.00 0.00 175.10 174.13 1wez s HIS 19 N 1.28 3.51 -0.01 5.22 2.46 -0.93 0.13 115.29 126.95 1wez s HIS 19 Ca 0.02 1.04 0.02 0.00 0.47 0.00 0.00 55.06 56.61 1wez s HIS 19 Cb -0.14 -2.46 -0.00 0.00 -0.13 0.00 0.00 32.58 29.86 1wez s HIS 19 CO -0.09 -0.23 -0.08 -1.64 -2.47 0.00 0.00 174.74 170.23 1wez s MET 20 N -4.25 0.76 -0.01 2.88 -1.94 0.51 -2.17 119.30 115.08 1wez s MET 20 Ca 0.51 -0.28 -0.09 0.00 -1.71 0.00 0.00 55.69 54.12 1wez s MET 20 Cb -0.10 -0.73 0.01 0.00 2.01 0.00 0.00 34.83 36.01 1wez s MET 20 CO 0.37 0.14 0.18 1.03 -0.01 0.00 0.00 175.02 176.73 1wez s ARG 21 N 0.00 0.48 -0.73 2.03 0.52 -1.03 -1.11 118.95 119.12 1wez s ARG 21 Ca 0.00 -0.26 -0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1wez s ARG 21 Cb -0.06 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1wez s ARG 21 CO -0.00 -0.11 0.63 0.41 0.02 0.00 0.00 175.30 176.25 1wez n GLY 22 N 1.66 -0.44 3.96 -3.53 0.00 -0.81 0.62 105.19 106.65 1wez n GLY 22 Ca -0.21 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.67 4.30 0.24 0.99 1.43 0.01 -3.45 118.68 117.53 1wez s LEU 23 Ca 0.27 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 1wez s LEU 23 Cb -0.03 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 1wez s LEU 23 CO 0.50 -0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.94 1wez s PRO 24 N -3.91 4.64 0.53 1.29 0.04 -1.26 -4.67 135.00 131.64 1wez s PRO 24 Ca 0.35 1.76 0.27 0.00 0.04 0.00 0.00 61.00 63.42 1wez s PRO 24 Cb -0.09 -3.22 1.47 0.00 0.04 0.00 0.00 34.50 32.70 1wez s PRO 24 CO 0.29 0.18 1.80 -0.92 0.04 0.00 0.00 177.00 178.40 1wez h TYR 25 N 4.28 0.00 -0.81 0.56 3.20 -1.97 0.25 116.97 122.47 1wez h TYR 25 Ca -0.46 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 60.87 1wez h TYR 25 Cb 1.21 0.00 -0.30 0.00 1.54 0.00 0.00 36.73 39.18 1wez h TYR 25 CO 0.60 0.00 0.18 0.54 -1.64 0.00 0.00 178.16 177.85 1wez n ARG 26 N -2.61 2.77 -4.19 1.82 1.74 -1.26 -4.77 116.66 110.16 1wez n ARG 26 Ca -0.02 -3.51 -0.35 0.00 -0.77 0.00 0.00 57.85 53.20 1wez n ARG 26 Cb 0.25 -2.19 -0.09 0.00 -1.02 0.00 0.00 32.46 29.41 1wez n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wez s ALA 27 N -3.61 3.42 0.14 7.54 0.00 0.87 -5.05 121.76 125.07 1wez s ALA 27 Ca 0.57 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1wez s ALA 27 Cb 0.46 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1wez s ALA 27 CO 0.02 0.48 -0.05 -0.08 0.00 0.00 0.00 175.76 176.13 1wez s THR 28 N -0.55 0.82 0.39 0.00 -1.32 -1.26 -4.96 115.64 108.75 1wez s THR 28 Ca 0.10 -1.99 0.18 0.00 -1.21 0.00 0.00 61.69 58.78 1wez s THR 28 Cb -0.12 -1.91 0.39 0.00 -1.51 0.00 0.00 72.50 69.35 1wez s THR 28 CO 0.02 -0.68 1.73 -0.33 -2.21 0.00 0.00 174.62 173.15 1wez h GLU 29 N 2.80 0.36 -0.75 7.08 5.08 -1.97 1.26 114.58 128.44 1wez h GLU 29 Ca -0.36 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1wez h GLU 29 Cb 1.19 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1wez h GLU 29 CO 0.64 0.24 0.42 -0.91 -1.00 0.00 0.00 179.01 178.40 1wez h ASN 30 N 0.37 0.91 -0.14 1.42 4.21 -1.98 0.49 115.58 120.86 1wez h ASN 30 Ca 0.65 -0.07 -0.16 0.00 1.21 0.00 0.00 56.30 57.94 1wez h ASN 30 Cb 1.64 -0.23 0.01 0.00 -1.12 0.00 0.00 38.32 38.62 1wez h ASN 30 CO -0.38 0.72 -0.54 0.44 -1.29 0.00 0.00 177.43 176.39 1wez h ASP 31 N 1.04 0.71 0.09 5.81 5.19 0.10 -1.98 116.42 127.38 1wez h ASP 31 Ca 0.27 -0.62 -0.04 0.00 -0.62 0.00 0.00 57.03 56.02 1wez h ASP 31 Cb 0.00 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 1wez h ASP 31 CO -0.05 1.21 -0.14 0.40 -3.12 0.00 0.00 179.24 177.54 1wez h ILE 32 N 0.25 1.14 -0.25 0.35 2.04 -0.16 1.15 117.51 122.04 1wez h ILE 32 Ca -0.03 -0.65 -0.20 0.00 1.00 0.00 0.00 64.86 64.98 1wez h ILE 32 Cb 1.17 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1wez h ILE 32 CO 0.11 0.20 -0.61 1.88 0.00 0.00 0.00 178.15 179.73 1wez h TYR 33 N 0.11 1.08 0.00 1.37 0.05 0.10 -2.68 116.97 117.01 1wez h TYR 33 Ca 0.02 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1wez h TYR 33 Cb 0.32 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1wez h TYR 33 CO 0.00 1.24 -0.42 -0.91 -1.05 0.00 0.00 178.16 177.02 1wez h ASN 34 N 0.63 0.00 1.34 3.88 2.35 -0.74 -2.38 115.58 120.66 1wez h ASN 34 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1wez h ASN 34 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1wez h ASN 34 CO 0.13 0.03 0.00 0.33 -1.65 0.00 0.00 177.43 176.27 1wez n PHE 35 N -2.58 0.82 0.17 1.19 7.35 0.39 -3.31 117.46 121.48 1wez n PHE 35 Ca 0.03 0.25 0.03 0.00 -0.76 0.00 0.00 57.45 57.00 1wez n PHE 35 Cb 0.49 -0.90 -0.05 0.00 0.35 0.00 0.00 39.48 39.38 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 -2.18 0.00 -1.52 -5.13 3.72 -1.02 -4.86 117.46 106.47 1wez n PHE 36 Ca 0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 1wez n PHE 36 Cb 0.40 -0.08 0.07 0.00 -0.94 0.00 0.00 39.48 38.94 1wez n PHE 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1wez s SER 37 N -2.19 4.61 -0.22 4.37 0.01 -0.90 -3.68 113.70 115.71 1wez s SER 37 Ca 0.00 2.09 -0.29 0.00 1.31 0.00 0.00 55.95 59.06 1wez s SER 37 Cb 0.05 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1wez s SER 37 CO 0.29 -1.97 1.30 -2.16 0.41 0.00 0.00 173.24 171.11 1wez s PRO 38 N -4.19 4.09 0.23 12.44 0.04 -1.26 -4.99 135.00 141.36 1wez s PRO 38 Ca 0.68 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 1wez s PRO 38 Cb -0.23 -3.82 0.06 0.00 0.04 0.00 0.00 34.50 30.55 1wez s PRO 38 CO 0.46 -0.89 0.93 -0.51 0.04 0.00 0.00 177.00 177.03 1wez s LEU 39 N 3.92 -0.07 -0.34 -3.56 1.43 -1.24 -5.04 118.68 113.78 1wez s LEU 39 Ca 0.56 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1wez s LEU 39 Cb -0.20 2.33 0.13 0.00 0.03 0.00 0.00 46.19 48.47 1wez s LEU 39 CO 0.19 -1.15 0.18 0.21 0.23 0.00 0.00 176.35 176.02 1wez s ASN 40 N -3.15 3.24 -0.14 2.29 3.84 -1.26 -5.05 114.94 114.70 1wez s ASN 40 Ca 0.17 -1.95 -0.29 0.00 0.21 0.00 0.00 52.86 50.99 1wez s ASN 40 Cb -0.03 -0.47 -0.02 0.00 -0.55 0.00 0.00 41.25 40.19 1wez s ASN 40 CO 0.06 -0.35 1.26 -2.16 -2.79 0.00 0.00 177.10 173.12 1wez s PRO 41 N 1.32 4.25 0.29 0.43 0.04 -1.26 -4.69 135.00 135.37 1wez s PRO 41 Ca 0.15 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1wez s PRO 41 Cb -0.21 -3.73 0.69 0.00 0.04 0.00 0.00 34.50 31.28 1wez s PRO 41 CO -0.11 -0.67 1.62 0.52 0.04 0.00 0.00 177.00 178.41 1wez h MET 42 N 8.10 0.12 -1.74 4.56 2.86 0.20 -3.42 114.93 125.61 1wez h MET 42 Ca -0.28 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1wez h MET 42 Cb 1.12 -0.03 -0.24 0.00 0.06 0.00 0.00 31.60 32.50 1wez h MET 42 CO 0.95 0.08 0.32 1.03 1.06 0.00 0.00 176.91 180.35 1wez s ARG 43 N -5.98 0.60 -0.14 1.72 0.52 -1.17 -4.97 118.95 109.52 1wez s ARG 43 Ca -0.13 0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 55.83 1wez s ARG 43 Cb 0.26 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.97 1wez s ARG 43 CO 0.77 -0.08 -0.06 0.08 0.02 0.00 0.00 175.30 176.03 1wez s VAL 44 N 0.52 3.74 -0.15 3.52 1.01 -1.26 -0.62 120.40 127.16 1wez s VAL 44 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1wez s VAL 44 Cb -0.05 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1wez s VAL 44 CO -0.06 0.51 -0.03 -2.28 0.00 0.00 0.00 175.10 173.24 1wez s HIS 45 N 0.26 3.05 -0.36 5.22 2.46 0.29 -4.95 115.29 121.27 1wez s HIS 45 Ca -0.04 -0.21 -0.01 0.00 0.47 0.00 0.00 55.06 55.28 1wez s HIS 45 Cb -0.14 -1.95 0.09 0.00 -0.13 0.00 0.00 32.58 30.45 1wez s HIS 45 CO 0.03 0.04 0.10 0.42 -2.47 0.00 0.00 174.74 172.87 1wez s ILE 46 N 0.21 2.94 -0.18 0.89 -1.09 -1.26 -1.31 121.20 121.39 1wez s ILE 46 Ca -0.01 -1.93 -0.29 0.00 -2.23 0.00 0.00 60.65 56.19 1wez s ILE 46 Cb -0.14 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 1wez s ILE 46 CO 0.03 -0.49 1.70 -0.70 -1.23 0.00 0.00 174.94 174.24 1wez s GLU 47 N 1.11 3.81 -0.07 2.79 2.12 -1.21 -4.98 118.70 122.26 1wez s GLU 47 Ca 0.05 1.82 -0.08 0.00 0.36 0.00 0.00 54.97 57.11 1wez s GLU 47 Cb -0.21 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.07 1wez s GLU 47 CO -0.04 -1.29 0.22 0.42 -0.54 0.00 0.00 175.26 174.02 1wez s ILE 48 N 5.29 5.38 0.63 -3.70 -1.09 -1.26 -1.17 121.20 125.27 1wez s ILE 48 Ca 0.75 0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 59.41 1wez s ILE 48 Cb -0.28 -3.49 0.14 0.00 -1.58 0.00 0.00 42.46 37.25 1wez s ILE 48 CO 0.31 0.57 0.86 0.61 -1.23 0.00 0.00 174.94 176.05 1wez n GLY 49 N 1.79 -0.85 2.82 6.18 0.00 0.08 -4.85 105.19 110.36 1wez n GLY 49 Ca -0.17 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.76 2.29 0.02 1.61 -0.04 -1.26 -3.16 135.00 131.69 1wez n PRO 50 Ca 0.11 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 1wez n PRO 50 Cb 0.40 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 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 6.14 -0.32 0.00 3.54 2.03 -1.26 -5.02 116.55 121.65 1wez n ASP 51 Ca 0.53 0.38 0.00 0.00 0.52 0.00 0.00 54.79 56.22 1wez n ASP 51 Cb 0.34 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wez n GLY 52 N -1.05 1.69 3.75 0.27 0.00 -1.19 -5.14 105.19 103.52 1wez n GLY 52 Ca 0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 2.38 1.32 1.61 1.81 -1.26 -4.60 118.95 120.20 1wez s ARG 53 Ca 0.00 1.49 -0.19 0.00 -1.72 0.00 0.00 55.73 55.31 1wez s ARG 53 Cb 0.00 -1.89 0.32 0.00 -0.45 0.00 0.00 34.95 32.93 1wez s ARG 53 CO 0.00 -1.60 0.78 1.33 -0.68 0.00 0.00 175.30 175.13 1wez n VAL 54 N -2.80 0.00 -0.02 3.52 0.24 -1.26 -0.74 118.33 117.26 1wez n VAL 54 Ca 0.11 -0.17 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 1wez n VAL 54 Cb 0.52 -0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 1wez n VAL 54 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wez n THR 55 N -5.36 0.32 0.00 3.34 -2.24 -0.32 -4.17 114.28 105.86 1wez n THR 55 Ca 0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1wez n THR 55 Cb 0.55 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 2.58 1.69 3.87 3.38 0.00 -1.26 -4.92 105.19 110.53 1wez n GLY 56 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 3.13 -0.02 1.61 2.02 -1.26 -0.81 118.70 123.38 1wez s GLU 57 Ca 0.00 -0.81 -0.20 0.00 0.02 0.00 0.00 54.97 53.98 1wez s GLU 57 Cb 0.00 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.51 1wez s GLU 57 CO 0.00 0.47 0.44 0.00 0.02 0.00 0.00 175.26 176.19 1wez s ALA 58 N -1.85 -1.12 -0.18 5.21 0.00 -0.26 -3.33 121.76 120.24 1wez s ALA 58 Ca 0.33 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.93 1wez s ALA 58 Cb -0.10 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1wez s ALA 58 CO 0.26 -0.31 -0.18 0.34 0.00 0.00 0.00 175.76 175.87 1wez s ASP 59 N -1.34 3.34 -0.13 0.00 2.15 -0.42 0.19 116.67 120.45 1wez s ASP 59 Ca -0.12 -0.59 -0.02 0.00 0.43 0.00 0.00 52.55 52.25 1wez s ASP 59 Cb -0.03 -1.52 -0.02 0.00 -0.30 0.00 0.00 42.92 41.05 1wez s ASP 59 CO 0.06 0.02 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.32 1wez s VAL 60 N 1.19 3.64 0.01 1.11 1.01 0.35 0.10 120.40 127.81 1wez s VAL 60 Ca 0.02 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1wez s VAL 60 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1wez s VAL 60 CO -0.09 0.52 -0.13 -0.70 0.00 0.00 0.00 175.10 174.70 1wez s GLU 61 N 0.15 2.33 0.03 2.72 2.56 0.21 0.20 118.70 126.91 1wez s GLU 61 Ca -0.03 -0.83 0.03 0.00 0.00 0.00 0.00 54.97 54.14 1wez s GLU 61 Cb -0.14 -2.34 -0.02 0.00 2.00 0.00 0.00 34.13 33.63 1wez s GLU 61 CO 0.03 0.58 -0.09 -0.06 -0.56 0.00 0.00 175.26 175.16 1wez s PHE 62 N -0.90 0.82 0.03 5.30 0.08 -0.83 0.20 117.98 122.68 1wez s PHE 62 Ca 0.15 -0.35 -0.26 0.00 0.12 0.00 0.00 56.93 56.59 1wez s PHE 62 Cb -0.11 -0.49 -0.17 0.00 -0.57 0.00 0.00 43.02 41.68 1wez s PHE 62 CO 0.05 -0.02 1.45 0.00 -0.10 0.00 0.00 175.22 176.60 1wez h ALA 63 N 4.98 -0.24 -4.50 5.36 0.00 -1.85 -3.38 119.26 119.63 1wez h ALA 63 Ca -0.35 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1wez h ALA 63 Cb 1.19 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wez h ALA 63 CO 0.44 -0.52 -0.04 0.25 0.00 0.00 0.00 179.25 179.37 1wez n THR 64 N -5.10 0.00 -0.08 0.00 -2.24 -1.26 -4.79 114.28 100.81 1wez n THR 64 Ca -0.09 -0.48 -0.21 0.00 -2.27 0.00 0.00 64.05 61.00 1wez n THR 64 Cb 0.20 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.32 0.08 -0.54 4.78 2.76 -1.96 -3.36 115.15 117.23 1wez h HIS 65 Ca -0.07 -0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.12 1wez h HIS 65 Cb 0.29 -0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.15 1wez h HIS 65 CO 0.00 1.48 -0.47 0.93 -1.30 0.00 0.00 177.93 178.57 1wez h GLU 66 N -0.85 -0.26 -0.91 5.26 5.08 -1.99 1.44 114.58 122.35 1wez h GLU 66 Ca -0.32 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.32 1wez h GLU 66 Cb 1.38 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 1wez h GLU 66 CO -0.14 -0.17 0.87 0.22 -1.00 0.00 0.00 179.01 178.78 1wez h ASP 67 N -0.27 0.00 0.05 1.42 3.58 -1.98 0.82 116.42 120.03 1wez h ASP 67 Ca 0.15 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1wez h ASP 67 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1wez h ASP 67 CO -0.66 0.00 -0.02 0.00 -2.88 0.00 0.00 179.24 175.67 1wez h ALA 68 N 1.12 -0.25 -1.03 -0.78 0.00 0.18 -2.69 119.26 115.81 1wez h ALA 68 Ca 0.43 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.59 1wez h ALA 68 Cb 2.16 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.87 1wez h ALA 68 CO -0.00 -0.24 0.65 0.28 0.00 0.00 0.00 179.25 179.93 1wez h VAL 69 N -0.21 0.53 -0.97 0.00 2.07 0.06 1.07 116.25 118.80 1wez h VAL 69 Ca -0.01 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1wez h VAL 69 Cb 0.05 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 1wez h VAL 69 CO 0.01 0.08 0.64 0.00 0.02 0.00 0.00 177.57 178.32 1wez h ALA 70 N 1.64 1.36 0.00 1.67 0.00 0.50 -0.48 119.26 123.95 1wez h ALA 70 Ca 0.61 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.30 1wez h ALA 70 Cb 1.44 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1wez h ALA 70 CO -0.34 0.56 -0.77 0.00 0.00 0.00 0.00 179.25 178.70 1wez h ALA 71 N 1.42 0.73 0.00 0.00 0.00 0.14 -2.83 119.26 118.72 1wez h ALA 71 Ca 0.38 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wez h ALA 71 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1wez h ALA 71 CO -0.11 0.96 0.00 -1.33 0.00 0.00 0.00 179.25 178.78 1wez n MET 72 N -3.62 0.08 0.03 0.00 2.81 0.58 -1.78 117.12 115.21 1wez n MET 72 Ca -0.01 0.25 0.07 0.00 -1.81 0.00 0.00 57.70 56.20 1wez n MET 72 Cb 0.75 -1.50 0.31 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 -1.38 1.56 -1.31 3.04 0.00 -0.96 -1.42 120.51 120.05 1wez n ALA 73 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1wez n ALA 73 Cb 0.10 -1.24 0.20 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.65 2.20 -2.29 0.00 4.76 -0.74 -4.90 118.16 115.54 1wez n LYS 74 Ca 0.03 -3.09 -0.43 0.00 -2.87 0.00 0.00 58.31 51.95 1wez n LYS 74 Cb 0.16 -2.01 -0.02 0.00 -1.84 0.00 0.00 35.03 31.31 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 -1.86 6.86 0.00 4.39 -4.77 -0.51 -2.94 116.67 117.84 1wez s ASP 75 Ca 0.51 1.87 0.00 0.00 -3.30 0.00 0.00 52.55 51.63 1wez s ASP 75 Cb 0.44 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 1wez s ASP 75 CO 0.06 -0.81 0.00 0.29 0.70 0.00 0.00 175.17 175.41 1wez n LYS 76 N 6.75 0.00 -1.64 2.11 5.02 -0.63 -4.95 118.16 124.82 1wez n LYS 76 Ca 0.15 0.00 -0.64 0.00 -2.02 0.00 0.00 58.31 55.80 1wez n LYS 76 Cb 0.44 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.36 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 -2.37 -2.00 7.82 0.00 -1.15 -3.06 120.51 119.75 1wez n ALA 77 Ca 0.00 0.54 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 1wez n ALA 77 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 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 1.64 5.15 0.28 0.00 2.20 -1.26 -3.68 114.94 119.27 1wez s ASN 78 Ca 0.98 0.11 0.01 0.00 -0.94 0.00 0.00 52.86 53.03 1wez s ASN 78 Cb -1.38 -2.54 0.68 0.00 -2.00 0.00 0.00 41.25 36.01 1wez s ASN 78 CO 0.70 -2.54 1.41 0.80 -2.94 0.00 0.00 177.10 174.53 1wez n MET 79 N 9.08 -0.07 0.00 3.55 0.00 -1.19 -4.34 117.12 124.15 1wez n MET 79 Ca 0.27 1.35 0.00 0.00 -0.00 0.00 0.00 57.70 59.32 1wez n MET 79 Cb 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 33.22 31.59 1wez n MET 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1wez n GLN 80 N -5.32 0.00 -0.07 2.12 6.02 -1.26 -4.98 117.38 113.88 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 0.68 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.95 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1wez n HIS 81 N -1.30 0.00 -4.48 1.08 1.44 -1.26 -5.06 115.22 105.64 1wez n HIS 81 Ca 0.00 -0.07 -0.21 0.00 -2.01 0.00 0.00 57.72 55.43 1wez n HIS 81 Cb 0.00 -0.02 -0.15 0.00 0.12 0.00 0.00 29.99 29.94 1wez n HIS 81 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wez s ARG 82 N -0.17 0.98 -0.49 -1.40 1.81 -1.26 -5.07 118.95 113.35 1wez s ARG 82 Ca 0.01 -0.38 -0.27 0.00 -1.72 0.00 0.00 55.73 53.36 1wez s ARG 82 Cb 0.01 -0.93 -0.02 0.00 -0.45 0.00 0.00 34.95 33.56 1wez s ARG 82 CO 0.00 0.20 1.83 0.71 -0.68 0.00 0.00 175.30 177.36 1wez s TYR 83 N -0.11 1.74 0.41 -0.53 2.02 -1.26 -3.14 117.35 116.48 1wez s TYR 83 Ca 0.02 0.75 -0.07 0.00 -0.37 0.00 0.00 57.07 57.40 1wez s TYR 83 Cb -0.06 -4.10 -0.05 0.00 -0.40 0.00 0.00 41.96 37.35 1wez s TYR 83 CO -0.00 -2.53 0.72 0.08 -1.57 0.00 0.00 175.55 172.26 1wez s VAL 84 N 8.17 4.90 0.11 0.71 1.01 -1.17 -4.75 120.40 129.38 1wez s VAL 84 Ca 0.72 0.29 0.08 0.00 0.00 0.00 0.00 61.98 63.08 1wez s VAL 84 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1wez s VAL 84 CO 0.26 -0.62 -0.16 -1.61 0.00 0.00 0.00 175.10 172.98 1wez s GLU 85 N -4.17 1.89 -0.04 2.72 2.02 0.20 -1.61 118.70 119.70 1wez s GLU 85 Ca 0.48 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1wez s GLU 85 Cb -0.10 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 31.99 1wez s GLU 85 CO 0.37 0.49 -0.01 -0.51 0.02 0.00 0.00 175.26 175.61 1wez s LEU 86 N -2.11 1.08 -0.29 1.80 1.43 -1.26 -2.46 118.68 116.88 1wez s LEU 86 Ca 0.18 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1wez s LEU 86 Cb -0.11 -0.35 0.05 0.00 0.03 0.00 0.00 46.19 45.81 1wez s LEU 86 CO 0.11 -0.11 -0.03 -0.36 0.23 0.00 0.00 176.35 176.19 1wez s PHE 87 N 1.21 3.24 -0.16 0.29 0.40 -0.92 -4.91 117.98 117.12 1wez s PHE 87 Ca -0.07 -1.91 -0.29 0.00 -0.60 0.00 0.00 56.93 54.06 1wez s PHE 87 Cb -0.14 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 1wez s PHE 87 CO -0.02 -0.81 1.69 -1.17 0.70 0.00 0.00 175.22 175.62 1wez s LEU 88 N 1.24 4.00 -0.26 -0.37 2.96 -1.26 -2.18 118.68 122.80 1wez s LEU 88 Ca -0.05 1.85 -0.02 0.00 -0.22 0.00 0.00 54.13 55.69 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 -0.02 -1.22 0.06 0.20 -1.32 0.00 0.00 176.35 174.05 1wez s ASN 89 N 4.35 3.57 0.20 3.68 0.01 -0.21 -5.01 114.94 121.53 1wez s ASN 89 Ca 0.75 -1.27 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 1wez s ASN 89 Cb -0.29 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.58 1wez s ASN 89 CO 0.30 -0.36 0.20 -0.55 -1.51 0.00 0.00 177.10 175.19 1wez s SER 90 N 1.71 0.11 -0.18 -1.22 0.15 -1.25 0.20 113.70 113.22 1wez s SER 90 Ca 0.04 -1.27 0.16 0.00 0.70 0.00 0.00 55.95 55.58 1wez s SER 90 Cb -0.17 0.42 -0.22 0.00 -1.71 0.00 0.00 66.02 64.34 1wez s SER 90 CO -0.18 -0.90 0.06 0.41 1.20 0.00 0.00 173.24 173.83 1wez n THR 91 N -0.28 1.22 -0.94 6.45 -1.04 -1.21 -4.92 114.28 113.55 1wez n THR 91 Ca 0.01 -0.75 0.10 0.00 -2.04 0.00 0.00 64.05 61.37 1wez n THR 91 Cb 0.65 -0.54 -0.03 0.00 -1.82 0.00 0.00 70.33 68.60 1wez n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wez n ALA 92 N -2.66 -2.75 -2.63 2.41 0.00 -1.26 -5.03 120.51 108.59 1wez n ALA 92 Ca -0.29 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wez n ALA 92 Cb 1.08 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.38 4.97 3.84 0.00 0.00 -1.26 -5.14 105.19 105.23 1wez n GLY 93 Ca 0.01 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 1.26 4.38 0.22 2.61 -1.32 -1.26 -5.07 115.64 116.45 1wez s THR 94 Ca 0.00 0.95 -0.21 0.00 -1.21 0.00 0.00 61.69 61.22 1wez s THR 94 Cb 0.00 -3.66 0.04 0.00 -1.51 0.00 0.00 72.50 67.37 1wez s THR 94 CO 0.00 -0.84 0.64 -0.55 -2.21 0.00 0.00 174.62 171.66 1wez s SER 95 N -3.52 -0.39 0.00 8.08 0.15 -1.26 -5.17 113.70 111.59 1wez s SER 95 Ca 0.58 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1wez s SER 95 Cb -0.12 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1wez s SER 95 CO 0.44 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1wez n GLY 96 N -0.41 4.75 3.29 9.45 0.00 -1.26 -5.17 105.19 115.84 1wez n GLY 96 Ca -0.10 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 1wez n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wez s SER 97 N 0.00 1.64 0.00 1.61 0.01 -1.26 -5.11 113.70 110.59 1wez s SER 97 Ca 0.00 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1wez s SER 97 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1wez s SER 97 CO 0.00 -0.50 0.23 0.61 0.41 0.00 0.00 173.24 173.99 1wez n GLY 98 N -0.33 -2.29 3.72 3.44 0.00 -1.26 -4.71 105.19 103.76 1wez n GLY 98 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.46 4.46 0.74 1.61 0.04 -1.26 -5.02 135.00 135.12 1wez s PRO 99 Ca 0.00 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1wez s PRO 99 Cb 0.00 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1wez s PRO 99 CO 0.00 -0.20 1.09 -1.54 0.04 0.00 0.00 177.00 176.39 1wez s SER 100 N 0.94 4.75 0.48 6.66 1.04 -1.26 -4.84 113.70 121.48 1wez s SER 100 Ca 0.57 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1wez s SER 100 Cb -0.28 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.31 1wez s SER 100 CO 0.30 -1.87 0.00 -1.20 0.98 0.00 0.00 173.24 171.45 1wez n SER 101 N -3.28 -8.08 0.00 7.02 7.64 -1.26 -5.20 113.62 110.46 1wez n SER 101 Ca 0.09 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1wez n SER 101 Cb 0.53 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64