#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 5.85 0.36 1.61 0.01 -1.26 -5.06 113.70 115.21 1wez s SER 2 Ca 0.00 -2.75 -0.22 0.00 1.31 0.00 0.00 55.95 54.29 1wez s SER 2 Cb 0.00 -2.00 -0.10 0.00 0.21 0.00 0.00 66.02 64.13 1wez s SER 2 CO 0.00 -0.46 0.89 -0.55 0.41 0.00 0.00 173.24 173.53 1wez s SER 3 N 1.35 7.06 0.00 2.44 0.15 -1.26 -4.97 113.70 118.46 1wez s SER 3 Ca 0.17 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1wez s SER 3 Cb -0.17 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wez s SER 3 CO -0.05 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wez n GLY 4 N -0.06 3.87 3.83 9.45 0.00 -1.26 -5.02 105.19 116.00 1wez n GLY 4 Ca 0.04 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1wez n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 5 N 0.00 5.86 -0.14 1.61 1.04 -1.26 -5.11 113.70 115.70 1wez s SER 5 Ca 0.00 0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.23 1wez s SER 5 Cb 0.00 -1.67 0.12 0.00 0.10 0.00 0.00 66.02 64.56 1wez s SER 5 CO 0.00 0.17 0.95 -0.94 0.98 0.00 0.00 173.24 174.40 1wez s SER 6 N -2.44 -0.42 0.00 7.02 1.04 -1.26 -5.02 113.70 112.62 1wez s SER 6 Ca 0.32 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1wez s SER 6 Cb -0.12 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wez s SER 6 CO 0.24 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1wez n GLY 7 N 0.77 -1.10 3.87 7.32 0.00 -1.26 -5.14 105.19 109.66 1wez n GLY 7 Ca -0.12 0.50 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 1wez n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wez s SER 8 N -4.00 5.88 -0.11 1.61 0.01 -1.26 -4.83 113.70 110.99 1wez s SER 8 Ca 0.00 -0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 1wez s SER 8 Cb 0.00 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.62 1wez s SER 8 CO 0.00 0.01 0.11 -1.54 0.41 0.00 0.00 173.24 172.23 1wez n SER 9 N -0.80 -4.55 -4.34 2.44 3.41 -1.26 -4.87 113.62 103.66 1wez n SER 9 Ca -0.08 1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 59.32 1wez n SER 9 Cb 0.56 -3.49 0.12 0.00 -0.26 0.00 0.00 64.21 61.13 1wez n SER 9 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1wez n PHE 10 N 1.89 -1.88 -3.64 7.33 7.35 -1.26 -5.01 117.46 122.24 1wez n PHE 10 Ca -0.18 0.20 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 1wez n PHE 10 Cb 0.33 -1.70 -0.17 0.00 0.35 0.00 0.00 39.48 38.28 1wez n PHE 10 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 1wez s GLN 11 N -3.39 -0.00 0.02 -4.13 2.00 -1.26 -5.05 119.66 107.84 1wez s GLN 11 Ca 0.54 0.16 -0.13 0.00 -2.00 0.00 0.00 55.36 53.92 1wez s GLN 11 Cb -0.19 -1.16 -0.07 0.00 0.80 0.00 0.00 33.01 32.39 1wez s GLN 11 CO 0.69 -0.50 1.14 0.66 -0.50 0.00 0.00 175.29 176.78 1wez h SER 12 N 8.43 -0.41 -1.74 6.67 4.64 -2.03 -3.48 113.55 125.63 1wez h SER 12 Ca -0.14 0.01 0.20 0.00 -0.47 0.00 0.00 61.79 61.40 1wez h SER 12 Cb 1.14 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 1wez h SER 12 CO 0.22 -0.28 -0.30 0.35 -0.87 0.00 0.00 176.83 175.95 1wez n THR 13 N -3.36 0.00 -3.12 2.95 -2.24 -1.26 -4.89 114.28 102.35 1wez n THR 13 Ca -0.06 0.05 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1wez n THR 13 Cb 0.19 -0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.72 -0.47 4.28 -2.24 -1.26 -4.65 114.28 105.69 1wez n THR 14 Ca 0.00 0.29 0.38 0.00 -2.27 0.00 0.00 64.05 62.45 1wez n THR 14 Cb 0.59 -2.83 0.68 0.00 -2.10 0.00 0.00 70.33 66.67 1wez n THR 14 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wez h GLY 15 N 4.34 0.97 -5.62 3.38 0.00 -1.90 -3.35 103.07 100.90 1wez h GLY 15 Ca -0.01 -0.09 -0.57 0.00 0.00 0.00 0.00 47.33 46.66 1wez h GLY 15 CO 0.00 -0.28 0.85 0.30 0.00 0.00 0.00 176.54 177.41 1wez s HIS 16 N -5.21 3.13 0.23 5.60 3.76 -1.26 -3.02 115.29 118.52 1wez s HIS 16 Ca -0.07 1.20 -0.04 0.00 -0.15 0.00 0.00 55.06 56.00 1wez s HIS 16 Cb 0.28 -3.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.28 1wez s HIS 16 CO 0.83 -0.83 0.25 0.00 -0.85 0.00 0.00 174.74 174.15 1wez s VAL 18 N -4.00 -0.17 0.32 0.00 1.01 -0.67 -2.44 120.40 114.44 1wez s VAL 18 Ca 0.34 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 1wez s VAL 18 Cb 0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 1wez s VAL 18 CO 0.13 0.14 0.74 -2.28 0.00 0.00 0.00 175.10 173.83 1wez s HIS 19 N 1.95 3.39 -0.03 5.22 2.46 -1.02 -0.73 115.29 126.54 1wez s HIS 19 Ca 0.00 1.25 0.03 0.00 0.47 0.00 0.00 55.06 56.80 1wez s HIS 19 Cb -0.12 -2.55 0.00 0.00 -0.13 0.00 0.00 32.58 29.78 1wez s HIS 19 CO -0.05 0.11 -0.10 -1.64 -2.47 0.00 0.00 174.74 170.59 1wez s MET 20 N -2.90 1.03 0.07 2.88 -1.94 0.16 -2.67 119.30 115.93 1wez s MET 20 Ca 0.53 -0.33 -0.10 0.00 -1.71 0.00 0.00 55.69 54.08 1wez s MET 20 Cb -0.11 -0.96 0.01 0.00 2.01 0.00 0.00 34.83 35.78 1wez s MET 20 CO 0.18 0.12 0.23 1.03 -0.01 0.00 0.00 175.02 176.57 1wez s ARG 21 N 0.18 0.81 -1.08 2.03 0.52 -0.21 -0.45 118.95 120.75 1wez s ARG 21 Ca -0.03 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.41 1wez s ARG 21 Cb -0.09 0.34 -0.00 0.00 0.52 0.00 0.00 34.95 35.72 1wez s ARG 21 CO 0.01 -0.26 0.90 0.41 0.02 0.00 0.00 175.30 176.38 1wez n GLY 22 N 0.26 -0.30 3.91 -3.53 0.00 -0.30 0.21 105.19 105.44 1wez n GLY 22 Ca -0.17 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1wez n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wez s LEU 23 N -5.92 4.06 0.64 0.99 1.43 0.48 -2.62 118.68 117.74 1wez s LEU 23 Ca 0.01 0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 1wez s LEU 23 Cb -0.00 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1wez s LEU 23 CO 0.66 -0.20 1.05 -2.16 0.23 0.00 0.00 176.35 175.94 1wez s PRO 24 N -3.59 3.17 0.23 1.29 0.04 -1.26 -4.64 135.00 130.24 1wez s PRO 24 Ca 0.43 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 1wez s PRO 24 Cb -0.11 -2.02 0.24 0.00 0.04 0.00 0.00 34.50 32.66 1wez s PRO 24 CO 0.30 -0.92 1.71 1.88 0.04 0.00 0.00 177.00 180.01 1wez h TYR 25 N -0.12 0.93 -0.59 0.56 0.05 -1.98 -2.70 116.97 113.12 1wez h TYR 25 Ca -0.45 -0.15 -0.40 0.00 0.05 0.00 0.00 58.73 57.78 1wez h TYR 25 Cb 1.21 -0.25 -0.17 0.00 1.01 0.00 0.00 36.73 38.53 1wez h TYR 25 CO 0.61 0.87 0.51 0.54 -1.05 0.00 0.00 178.16 179.64 1wez n ARG 26 N -4.19 1.98 -4.00 4.88 1.74 -1.26 -4.81 116.66 111.01 1wez n ARG 26 Ca 0.02 -1.93 -0.33 0.00 -0.77 0.00 0.00 57.85 54.84 1wez n ARG 26 Cb 0.34 -1.76 -0.14 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.24 2.67 0.56 7.54 0.00 -1.02 -5.04 121.76 124.22 1wez s ALA 27 Ca 0.38 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1wez s ALA 27 Cb 0.30 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.75 1wez s ALA 27 CO -0.00 -1.15 0.39 -0.08 0.00 0.00 0.00 175.76 174.92 1wez s THR 28 N 1.19 1.53 0.20 0.00 -1.32 -1.26 -4.91 115.64 111.08 1wez s THR 28 Ca -0.06 -1.52 -0.10 0.00 -1.21 0.00 0.00 61.69 58.79 1wez s THR 28 Cb -0.19 -2.05 0.13 0.00 -1.51 0.00 0.00 72.50 68.87 1wez s THR 28 CO -0.04 0.00 1.83 -0.33 -2.21 0.00 0.00 174.62 173.87 1wez h GLU 29 N 0.74 0.74 -0.07 7.08 5.08 -1.98 0.22 114.58 126.39 1wez h GLU 29 Ca -0.37 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1wez h GLU 29 Cb 1.31 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wez h GLU 29 CO 0.58 0.49 0.18 -0.97 -1.00 0.00 0.00 179.01 178.29 1wez h ASN 30 N 0.76 0.00 0.00 1.42 -1.24 -1.99 0.26 115.58 114.80 1wez h ASN 30 Ca 0.28 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.16 1wez h ASN 30 Cb 0.07 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1wez h ASN 30 CO -0.13 0.00 -0.75 -0.78 -1.29 0.00 0.00 177.43 174.48 1wez h ASP 31 N 0.00 0.00 -0.04 1.15 1.82 -1.06 -3.21 116.42 115.07 1wez h ASP 31 Ca 0.03 -0.51 0.01 0.00 -0.39 0.00 0.00 57.03 56.18 1wez h ASP 31 Cb 0.39 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1wez h ASP 31 CO -0.00 1.19 0.17 0.40 -1.61 0.00 0.00 179.24 179.38 1wez h ILE 32 N -1.00 0.12 0.04 2.25 2.04 0.05 0.78 117.51 121.79 1wez h ILE 32 Ca -0.19 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.42 1wez h ILE 32 Cb 1.01 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1wez h ILE 32 CO -0.11 0.00 -1.05 1.88 0.00 0.00 0.00 178.15 178.87 1wez h TYR 33 N 0.00 0.72 0.00 1.37 0.05 -0.62 -2.74 116.97 115.75 1wez h TYR 33 Ca 0.02 -0.42 0.00 0.00 0.05 0.00 0.00 58.73 58.38 1wez h TYR 33 Cb 0.35 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1wez h TYR 33 CO 0.00 1.26 -0.79 -0.97 -1.05 0.00 0.00 178.16 176.61 1wez h ASN 34 N 0.24 0.00 1.05 3.88 -0.73 -0.64 -2.83 115.58 116.55 1wez h ASN 34 Ca -0.11 -0.04 -0.12 0.00 1.87 0.00 0.00 56.30 57.90 1wez h ASN 34 Cb 1.71 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.28 1wez h ASN 34 CO 0.19 0.02 -0.55 0.15 -0.37 0.00 0.00 177.43 176.87 1wez h PHE 35 N 0.00 0.00 0.00 0.67 3.57 0.40 -3.15 116.94 118.43 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 0.95 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1wez h PHE 35 CO 0.00 0.55 -1.30 1.19 -2.23 0.00 0.00 178.31 176.52 1wez n PHE 36 N -3.44 0.03 -1.49 0.41 3.72 -1.04 -4.93 117.46 110.74 1wez n PHE 36 Ca 0.00 0.01 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1wez n PHE 36 Cb 0.67 -0.21 0.08 0.00 -0.94 0.00 0.00 39.48 39.07 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 -3.59 4.53 -0.20 4.37 0.01 -1.07 -3.71 113.70 114.05 1wez s SER 37 Ca 0.03 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.10 1wez s SER 37 Cb 0.15 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.81 1wez s SER 37 CO 0.87 -2.02 1.30 -2.16 0.41 0.00 0.00 173.24 171.63 1wez s PRO 38 N -4.20 4.13 0.20 12.44 0.04 -1.26 -4.99 135.00 141.36 1wez s PRO 38 Ca 0.68 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 1wez s PRO 38 Cb -0.23 -3.81 0.07 0.00 0.04 0.00 0.00 34.50 30.57 1wez s PRO 38 CO 0.46 -0.84 0.97 -0.51 0.04 0.00 0.00 177.00 177.12 1wez s LEU 39 N 3.81 -0.06 -0.34 -3.56 1.43 -1.24 -5.02 118.68 113.69 1wez s LEU 39 Ca 0.56 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1wez s LEU 39 Cb -0.21 2.22 0.13 0.00 0.03 0.00 0.00 46.19 48.36 1wez s LEU 39 CO 0.18 -1.06 0.19 0.21 0.23 0.00 0.00 176.35 176.09 1wez s ASN 40 N -3.19 3.26 -0.11 2.29 3.84 -1.26 -5.05 114.94 114.72 1wez s ASN 40 Ca 0.18 -1.98 -0.30 0.00 0.21 0.00 0.00 52.86 50.97 1wez s ASN 40 Cb -0.03 -0.49 -0.02 0.00 -0.55 0.00 0.00 41.25 40.16 1wez s ASN 40 CO 0.05 -0.34 1.25 -2.16 -2.79 0.00 0.00 177.10 173.11 1wez s PRO 41 N 1.28 4.29 0.46 0.43 0.04 -1.26 -4.82 135.00 135.41 1wez s PRO 41 Ca 0.15 1.69 0.29 0.00 0.04 0.00 0.00 61.00 63.17 1wez s PRO 41 Cb -0.21 -3.67 1.35 0.00 0.04 0.00 0.00 34.50 32.01 1wez s PRO 41 CO -0.10 -0.59 1.73 0.52 0.04 0.00 0.00 177.00 178.61 1wez h MET 42 N 7.88 0.18 0.00 4.56 2.86 0.16 -3.43 114.93 127.14 1wez h MET 42 Ca -0.31 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1wez h MET 42 Cb 1.13 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1wez h MET 42 CO 0.93 0.12 0.00 2.89 1.06 0.00 0.00 176.91 181.90 1wez n ARG 43 N -4.47 0.00 -4.46 1.72 1.85 -1.25 -4.91 116.66 105.14 1wez n ARG 43 Ca 0.29 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.81 1wez n ARG 43 Cb 1.19 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 32.45 1wez n ARG 43 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wez s VAL 44 N -1.06 3.09 -0.15 8.89 1.01 -1.26 -2.75 120.40 128.18 1wez s VAL 44 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1wez s VAL 44 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wez s VAL 44 CO 0.00 0.50 0.08 -2.28 0.00 0.00 0.00 175.10 173.39 1wez s HIS 45 N 0.75 3.34 -0.39 5.22 5.04 -0.03 -4.96 115.29 124.27 1wez s HIS 45 Ca -0.05 0.24 -0.02 0.00 -1.54 0.00 0.00 55.06 53.69 1wez s HIS 45 Cb -0.15 -1.99 0.10 0.00 0.04 0.00 0.00 32.58 30.57 1wez s HIS 45 CO 0.01 0.38 0.16 0.42 -2.34 0.00 0.00 174.74 173.38 1wez s ILE 46 N -0.24 3.20 0.04 0.89 -1.09 -1.26 -2.39 121.20 120.35 1wez s ILE 46 Ca 0.09 -1.95 -0.30 0.00 -2.23 0.00 0.00 60.65 56.25 1wez s ILE 46 Cb -0.12 -3.14 -0.08 0.00 -1.58 0.00 0.00 42.46 37.54 1wez s ILE 46 CO 0.01 -0.59 1.67 -0.70 -1.23 0.00 0.00 174.94 174.10 1wez s GLU 47 N 1.15 4.19 -0.02 2.79 2.12 -1.24 -4.99 118.70 122.71 1wez s GLU 47 Ca 0.06 2.31 -0.03 0.00 0.36 0.00 0.00 54.97 57.67 1wez s GLU 47 Cb -0.22 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 1wez s GLU 47 CO -0.04 -0.77 0.18 0.42 -0.54 0.00 0.00 175.26 174.52 1wez s ILE 48 N 3.02 5.44 0.00 -3.70 -1.09 -1.26 -2.76 121.20 120.85 1wez s ILE 48 Ca 0.74 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1wez s ILE 48 Cb -0.38 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1wez s ILE 48 CO 0.32 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1wez n GLY 49 N 1.07 1.67 0.00 6.18 0.00 -0.32 -4.84 105.19 108.95 1wez n GLY 49 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.06 0.00 -1.45 1.61 -0.04 -1.26 -4.88 135.00 128.92 1wez n PRO 50 Ca 0.00 0.30 -0.05 0.00 -0.04 0.00 0.00 63.50 63.71 1wez n PRO 50 Cb 0.00 -0.92 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 1wez n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wez n ASP 51 N -1.39 -1.05 0.00 3.54 5.75 -1.26 -5.01 116.55 117.13 1wez n ASP 51 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1wez n ASP 51 Cb 0.00 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wez n GLY 52 N -0.44 -2.05 3.24 6.12 0.00 -1.26 -5.15 105.19 105.65 1wez n GLY 52 Ca -0.23 0.67 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 1wez n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wez n ARG 53 N 0.00 -0.20 -3.74 1.61 1.74 -1.26 -4.69 116.66 110.12 1wez n ARG 53 Ca 0.00 -0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.84 1wez n ARG 53 Cb 0.00 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.23 3.81 -0.18 1.55 -7.23 -1.26 -1.17 120.40 113.69 1wez s VAL 54 Ca 0.50 -1.25 0.13 0.00 -1.81 0.00 0.00 61.98 59.55 1wez s VAL 54 Cb -0.19 -3.29 -0.23 0.00 0.56 0.00 0.00 36.38 33.23 1wez s VAL 54 CO 0.74 -0.19 0.11 0.35 -0.31 0.00 0.00 175.10 175.81 1wez n THR 55 N -1.44 1.46 0.00 5.32 -2.24 -1.11 -4.59 114.28 111.68 1wez n THR 55 Ca -0.02 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1wez n THR 55 Cb 0.59 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 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 1.83 1.05 3.72 3.38 0.00 -1.26 -4.89 105.19 109.03 1wez n GLY 56 Ca -0.33 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.12 2.62 0.08 1.61 2.02 -1.26 -0.39 118.70 123.26 1wez s GLU 57 Ca 0.00 -1.00 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 1wez s GLU 57 Cb 0.00 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.76 1wez s GLU 57 CO 0.00 0.47 0.28 0.00 0.02 0.00 0.00 175.26 176.03 1wez s ALA 58 N -1.73 -0.54 -0.06 5.21 0.00 0.40 -3.63 121.76 121.41 1wez s ALA 58 Ca 0.29 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1wez s ALA 58 Cb -0.10 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1wez s ALA 58 CO 0.21 -0.51 -0.16 -0.51 0.00 0.00 0.00 175.76 174.78 1wez s ASP 59 N -2.61 2.15 0.19 0.00 1.01 -1.00 0.37 116.67 116.78 1wez s ASP 59 Ca 0.01 -0.37 0.11 0.00 0.71 0.00 0.00 52.55 53.02 1wez s ASP 59 Cb 0.02 -0.85 -0.04 0.00 1.01 0.00 0.00 42.92 43.06 1wez s ASP 59 CO -0.09 0.10 -0.24 -0.69 0.21 0.00 0.00 175.17 174.46 1wez s VAL 60 N 0.37 2.35 -0.02 -1.27 1.01 0.09 -0.85 120.40 122.09 1wez s VAL 60 Ca -0.11 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 59.89 1wez s VAL 60 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1wez s VAL 60 CO 0.04 -0.09 -0.06 -1.61 0.00 0.00 0.00 175.10 173.37 1wez s GLU 61 N -2.61 0.64 0.00 2.72 8.01 -1.11 -1.66 118.70 124.69 1wez s GLU 61 Ca 0.20 -0.21 0.02 0.00 0.01 0.00 0.00 54.97 54.99 1wez s GLU 61 Cb -0.08 -0.63 -0.01 0.00 -4.31 0.00 0.00 34.13 29.11 1wez s GLU 61 CO 0.09 0.09 -0.06 -0.06 0.01 0.00 0.00 175.26 175.34 1wez s PHE 62 N 0.11 0.54 0.06 1.61 0.08 -0.96 0.18 117.98 119.61 1wez s PHE 62 Ca -0.01 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1wez s PHE 62 Cb -0.06 -0.34 -0.18 0.00 -0.57 0.00 0.00 43.02 41.87 1wez s PHE 62 CO -0.00 -0.02 1.58 0.00 -0.10 0.00 0.00 175.22 176.68 1wez h ALA 63 N 5.76 -0.68 -5.56 5.36 0.00 -1.87 -3.38 119.26 118.88 1wez h ALA 63 Ca -0.29 -0.16 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 1wez h ALA 63 Cb 1.19 0.26 0.05 0.00 0.00 0.00 0.00 17.79 19.30 1wez h ALA 63 CO 0.49 -0.86 0.04 0.25 0.00 0.00 0.00 179.25 179.17 1wez n THR 64 N -5.36 0.00 -0.02 0.00 -2.24 -1.26 -4.75 114.28 100.64 1wez n THR 64 Ca -0.12 -1.40 -0.22 0.00 -2.27 0.00 0.00 64.05 60.05 1wez n THR 64 Cb 0.29 -0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.31 0.34 -0.35 4.78 2.76 -1.95 -3.34 115.15 117.08 1wez h HIS 65 Ca -0.25 -0.25 0.07 0.00 -2.20 0.00 0.00 60.37 57.74 1wez h HIS 65 Cb 1.01 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.87 1wez h HIS 65 CO 0.00 1.65 -0.30 0.93 -1.30 0.00 0.00 177.93 178.90 1wez h GLU 66 N -0.32 -0.25 0.00 5.26 4.39 -1.98 1.32 114.58 123.00 1wez h GLU 66 Ca -0.37 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1wez h GLU 66 Cb 1.76 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1wez h GLU 66 CO -0.00 -0.17 0.13 -0.44 -1.16 0.00 0.00 179.01 177.38 1wez h ASP 67 N -0.26 0.00 0.12 1.42 5.19 -1.98 0.87 116.42 121.78 1wez h ASP 67 Ca 0.16 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.25 1wez h ASP 67 Cb 0.52 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1wez h ASP 67 CO -0.49 0.00 -1.72 0.00 -3.12 0.00 0.00 179.24 173.90 1wez h ALA 68 N 1.70 0.31 -0.17 3.45 0.00 0.12 -2.91 119.26 121.77 1wez h ALA 68 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 54.91 53.60 1wez h ALA 68 Cb 0.27 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wez h ALA 68 CO 0.00 1.07 -0.11 0.28 0.00 0.00 0.00 179.25 180.49 1wez h VAL 69 N -0.16 1.33 -0.41 0.00 2.07 0.29 -0.84 116.25 118.53 1wez h VAL 69 Ca -0.37 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 1wez h VAL 69 Cb 1.88 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1wez h VAL 69 CO 0.05 0.36 0.15 0.00 0.02 0.00 0.00 177.57 178.15 1wez h ALA 70 N 0.65 1.49 0.33 1.67 0.00 0.46 0.56 119.26 124.43 1wez h ALA 70 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1wez h ALA 70 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wez h ALA 70 CO 0.03 0.39 -0.16 0.00 0.00 0.00 0.00 179.25 179.51 1wez h ALA 71 N 1.58 -0.45 0.00 0.00 0.00 -1.30 -2.53 119.26 116.56 1wez h ALA 71 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wez h ALA 71 Cb 0.15 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wez h ALA 71 CO -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.62 1wez n MET 72 N -5.18 0.56 0.09 0.00 0.00 -0.34 -2.93 117.12 109.32 1wez n MET 72 Ca -0.10 0.03 0.08 0.00 0.00 0.00 0.00 57.70 57.71 1wez n MET 72 Cb 0.26 -1.50 0.38 0.00 0.00 0.00 0.00 33.22 32.36 1wez n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wez n ALA 73 N -1.13 1.29 -1.04 3.17 0.00 0.19 -0.92 120.51 122.07 1wez n ALA 73 Ca 0.15 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 1wez n ALA 73 Cb 0.13 -1.25 0.19 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.96 2.38 -1.84 0.00 4.76 -1.15 -4.96 118.16 115.40 1wez n LYS 74 Ca 0.01 -2.80 -0.42 0.00 -2.87 0.00 0.00 58.31 52.23 1wez n LYS 74 Cb 0.10 -2.10 -0.02 0.00 -1.84 0.00 0.00 35.03 31.16 1wez n LYS 74 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1wez s ASP 75 N -1.09 6.46 0.00 4.39 2.15 -0.10 -2.25 116.67 126.24 1wez s ASP 75 Ca 0.53 2.82 0.00 0.00 0.43 0.00 0.00 52.55 56.33 1wez s ASP 75 Cb 0.44 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1wez s ASP 75 CO 0.11 -0.87 0.00 0.29 -0.17 0.00 0.00 175.17 174.52 1wez n LYS 76 N 2.94 0.00 -1.50 4.34 4.76 -0.83 -4.93 118.16 122.94 1wez n LYS 76 Ca 0.11 0.00 -0.58 0.00 -2.87 0.00 0.00 58.31 54.96 1wez n LYS 76 Cb 0.38 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.48 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 -2.05 -2.30 7.82 0.00 -0.95 -3.90 120.51 119.13 1wez n ALA 77 Ca 0.00 0.49 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1wez n ALA 77 Cb 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 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 1.67 6.91 0.04 0.00 2.20 -1.26 -4.25 114.94 120.26 1wez s ASN 78 Ca 0.90 2.01 -0.18 0.00 -0.94 0.00 0.00 52.86 54.65 1wez s ASN 78 Cb -1.28 -2.56 -0.17 0.00 -2.00 0.00 0.00 41.25 35.25 1wez s ASN 78 CO 0.66 -0.68 1.25 -0.03 -2.94 0.00 0.00 177.10 175.36 1wez h MET 79 N 7.76 0.50 0.00 3.55 1.85 -1.85 -3.46 114.93 123.29 1wez h MET 79 Ca -0.36 -0.37 0.00 0.00 -0.61 0.00 0.00 59.70 58.36 1wez h MET 79 Cb 1.17 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.27 1wez h MET 79 CO 0.90 0.99 0.00 1.04 -0.40 0.00 0.00 176.91 179.44 1wez n GLN 80 N -4.30 0.00 -0.15 0.39 1.13 -1.26 -4.98 117.38 108.20 1wez n GLN 80 Ca -0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1wez n GLN 80 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.90 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 -1.33 0.00 -4.30 1.08 1.44 -1.26 -5.09 115.22 105.75 1wez n HIS 81 Ca 0.00 -0.03 -0.16 0.00 -2.01 0.00 0.00 57.72 55.52 1wez n HIS 81 Cb 0.00 -0.02 -0.10 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 -0.07 1.23 -0.45 -1.40 1.81 -1.26 -5.11 118.95 113.71 1wez s ARG 82 Ca 0.00 -1.58 -0.12 0.00 -1.72 0.00 0.00 55.73 52.31 1wez s ARG 82 Cb 0.00 -0.66 0.08 0.00 -0.45 0.00 0.00 34.95 33.93 1wez s ARG 82 CO 0.00 -0.01 0.32 0.71 -0.68 0.00 0.00 175.30 175.64 1wez s TYR 83 N -3.35 3.30 0.06 -0.53 2.02 -1.26 -3.07 117.35 114.52 1wez s TYR 83 Ca 0.23 -1.29 -0.19 0.00 -0.37 0.00 0.00 57.07 55.46 1wez s TYR 83 Cb 0.04 -3.09 -0.07 0.00 -0.40 0.00 0.00 41.96 38.45 1wez s TYR 83 CO 0.05 -0.84 0.56 0.14 -1.57 0.00 0.00 175.55 173.90 1wez s VAL 84 N 1.52 4.77 -0.08 0.71 -7.23 -1.08 -4.69 120.40 114.32 1wez s VAL 84 Ca 0.03 1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 61.23 1wez s VAL 84 Cb -0.24 -3.89 -0.05 0.00 0.56 0.00 0.00 36.38 32.77 1wez s VAL 84 CO 0.04 0.55 0.46 -1.61 -0.31 0.00 0.00 175.10 174.23 1wez s GLU 85 N -1.04 4.23 -0.13 4.82 0.41 0.57 -1.97 118.70 125.58 1wez s GLU 85 Ca 0.29 0.45 0.02 0.00 -0.41 0.00 0.00 54.97 55.32 1wez s GLU 85 Cb -0.19 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 1wez s GLU 85 CO 0.19 0.32 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.56 1wez s LEU 86 N 0.10 2.25 -0.26 1.80 1.43 -1.26 -1.05 118.68 121.68 1wez s LEU 86 Ca 0.25 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1wez s LEU 86 Cb -0.16 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.63 1wez s LEU 86 CO 0.11 0.11 -0.09 -0.36 0.23 0.00 0.00 176.35 176.36 1wez s PHE 87 N 0.65 3.19 -0.01 0.29 0.08 -1.09 -4.84 117.98 116.24 1wez s PHE 87 Ca -0.10 -2.03 -0.30 0.00 0.12 0.00 0.00 56.93 54.62 1wez s PHE 87 Cb -0.16 -1.99 -0.07 0.00 -0.57 0.00 0.00 43.02 40.23 1wez s PHE 87 CO 0.02 -0.83 1.80 -1.17 -0.10 0.00 0.00 175.22 174.94 1wez s LEU 88 N 1.19 4.37 -0.24 -0.37 2.96 -1.26 -2.44 118.68 122.89 1wez s LEU 88 Ca -0.05 2.44 -0.03 0.00 -0.22 0.00 0.00 54.13 56.26 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 -0.05 -0.98 0.09 0.20 -1.32 0.00 0.00 176.35 174.29 1wez s ASN 89 N 3.83 3.23 0.21 3.68 0.01 -1.02 -4.99 114.94 119.88 1wez s ASN 89 Ca 0.80 -1.10 -0.05 0.00 -0.71 0.00 0.00 52.86 51.81 1wez s ASN 89 Cb -0.38 -0.51 -0.03 0.00 0.41 0.00 0.00 41.25 40.74 1wez s ASN 89 CO 0.35 -0.38 0.24 -0.55 -1.51 0.00 0.00 177.10 175.25 1wez s SER 90 N 1.93 0.08 -0.18 -1.22 0.15 -1.25 0.95 113.70 114.16 1wez s SER 90 Ca 0.05 -1.23 0.02 0.00 0.70 0.00 0.00 55.95 55.48 1wez s SER 90 Cb -0.17 0.44 -0.22 0.00 -1.71 0.00 0.00 66.02 64.37 1wez s SER 90 CO -0.20 -0.93 0.10 0.41 1.20 0.00 0.00 173.24 173.81 1wez n THR 91 N -0.30 1.59 -1.36 6.45 -1.04 -1.17 -4.89 114.28 113.57 1wez n THR 91 Ca 0.00 -0.66 0.16 0.00 -2.04 0.00 0.00 64.05 61.52 1wez n THR 91 Cb 0.65 -1.37 -0.08 0.00 -1.82 0.00 0.00 70.33 67.70 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 -3.04 -3.57 -2.42 2.41 0.00 -1.26 -4.97 120.51 107.66 1wez n ALA 92 Ca -0.37 0.78 -0.25 0.00 0.00 0.00 0.00 53.44 53.60 1wez n ALA 92 Cb 1.04 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1wez n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wez s GLY 93 N -6.96 2.37 -0.16 0.00 0.00 -1.26 -5.12 107.32 96.19 1wez s GLY 93 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 42.84 1wez s GLY 93 CO 0.00 -1.91 0.23 -1.59 0.00 0.00 0.00 173.10 169.83 1wez s THR 94 N -2.64 5.35 -0.03 0.90 2.01 -1.26 -5.08 115.64 114.89 1wez s THR 94 Ca 0.38 0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.81 1wez s THR 94 Cb 0.01 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1wez s THR 94 CO 0.22 0.44 -0.06 -0.44 -0.69 0.00 0.00 174.62 174.09 1wez s SER 95 N 0.16 0.86 -0.89 3.53 0.01 -1.26 -5.07 113.70 111.04 1wez s SER 95 Ca 0.14 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wez s SER 95 Cb -0.12 -0.28 0.30 0.00 0.21 0.00 0.00 66.02 66.12 1wez s SER 95 CO 0.03 0.01 1.30 0.61 0.41 0.00 0.00 173.24 175.59 1wez n GLY 96 N 3.52 5.35 2.64 3.44 0.00 -1.26 -4.93 105.19 113.95 1wez n GLY 96 Ca -0.20 -2.70 -0.28 0.00 0.00 0.00 0.00 46.02 42.84 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 -2.11 3.29 1.11 1.61 1.04 -1.26 -5.14 113.70 112.24 1wez s SER 97 Ca 0.37 -1.14 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 1wez s SER 97 Cb 0.13 -0.50 0.25 0.00 0.10 0.00 0.00 66.02 66.00 1wez s SER 97 CO -0.00 -0.39 1.05 -0.83 0.98 0.00 0.00 173.24 174.05 1wez s GLY 98 N 1.94 1.55 -0.37 7.32 0.00 -1.26 -4.91 107.32 111.59 1wez s GLY 98 Ca 0.06 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.30 1wez s GLY 98 CO -0.23 0.50 1.39 2.56 0.00 0.00 0.00 173.10 177.32 1wez s PRO 99 N -4.62 3.68 -0.26 2.90 0.04 -1.26 -4.22 135.00 131.25 1wez s PRO 99 Ca 0.67 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wez s PRO 99 Cb -0.23 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1wez s PRO 99 CO 0.62 -1.43 0.01 0.43 0.04 0.00 0.00 177.00 176.67 1wez n SER 100 N 8.48 -7.80 -4.60 6.66 7.64 -1.26 -4.94 113.62 117.81 1wez n SER 100 Ca 0.16 1.25 -0.40 0.00 1.01 0.00 0.00 58.87 60.90 1wez n SER 100 Cb 0.47 -4.69 -0.09 0.00 -1.01 0.00 0.00 64.21 58.90 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 -1.54 6.28 0.00 6.43 0.15 -1.26 -5.26 113.70 118.50 1wez s SER 101 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1wez s SER 101 Cb -0.00 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1wez s SER 101 CO 0.65 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.47