#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 4.33 0.54 1.61 0.15 -1.26 -5.12 113.70 113.95 1wez s SER 2 Ca 0.00 -0.15 -0.15 0.00 0.70 0.00 0.00 55.95 56.35 1wez s SER 2 Cb 0.00 -0.97 -0.07 0.00 -1.71 0.00 0.00 66.02 63.27 1wez s SER 2 CO 0.00 0.33 1.00 -0.44 1.20 0.00 0.00 173.24 175.33 1wez s SER 3 N -0.96 6.48 0.62 5.45 0.01 -1.26 -5.07 113.70 118.97 1wez s SER 3 Ca 0.13 1.55 -0.03 0.00 1.31 0.00 0.00 55.95 58.91 1wez s SER 3 Cb -0.11 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.66 1wez s SER 3 CO 0.03 -0.69 0.89 -0.83 0.41 0.00 0.00 173.24 173.05 1wez s GLY 4 N -3.31 1.72 -0.18 3.44 0.00 -1.26 -5.11 107.32 102.62 1wez s GLY 4 Ca 0.58 -1.06 -0.35 0.00 0.00 0.00 0.00 44.72 43.89 1wez s GLY 4 CO 0.37 -0.73 1.28 -0.45 0.00 0.00 0.00 173.10 173.56 1wez s SER 5 N -4.44 -0.09 0.02 1.64 0.15 -1.26 -5.14 113.70 104.59 1wez s SER 5 Ca 0.58 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.90 1wez s SER 5 Cb -0.11 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1wez s SER 5 CO 0.42 -0.18 1.21 -0.94 1.20 0.00 0.00 173.24 174.95 1wez s SER 6 N -2.30 7.06 0.00 5.45 1.04 -1.26 -4.97 113.70 118.73 1wez s SER 6 Ca 0.11 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.49 1wez s SER 6 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wez s SER 6 CO -0.04 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1wez n GLY 7 N 3.28 1.61 2.97 7.32 0.00 -1.26 -5.14 105.19 113.97 1wez n GLY 7 Ca 0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 1wez n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 8 N -0.90 -0.06 -0.30 1.61 1.04 -1.26 -5.13 113.70 108.70 1wez s SER 8 Ca 0.00 -0.67 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 1wez s SER 8 Cb 0.00 1.27 0.19 0.00 0.10 0.00 0.00 66.02 67.57 1wez s SER 8 CO 0.00 -0.29 1.25 -0.44 0.98 0.00 0.00 173.24 174.74 1wez s SER 9 N 2.19 -0.16 0.09 7.02 0.01 -1.26 -5.13 113.70 116.45 1wez s SER 9 Ca 0.13 0.28 -0.31 0.00 1.31 0.00 0.00 55.95 57.36 1wez s SER 9 Cb -0.11 0.75 -0.09 0.00 0.21 0.00 0.00 66.02 66.78 1wez s SER 9 CO -0.19 -0.05 1.69 0.12 0.41 0.00 0.00 173.24 175.23 1wez s PHE 10 N 0.70 2.40 -0.36 2.43 2.19 -1.26 -4.96 117.98 119.11 1wez s PHE 10 Ca -0.02 0.25 -0.00 0.00 0.33 0.00 0.00 56.93 57.49 1wez s PHE 10 Cb -0.04 -4.02 0.13 0.00 -1.31 0.00 0.00 43.02 37.79 1wez s PHE 10 CO -0.12 -4.09 0.20 -0.65 1.83 0.00 0.00 175.22 172.40 1wez s GLN 11 N 2.57 0.64 0.45 10.12 -1.52 -1.26 -5.12 119.66 125.53 1wez s GLN 11 Ca 0.75 -1.35 -0.21 0.00 -1.95 0.00 0.00 55.36 52.60 1wez s GLN 11 Cb -0.42 -1.47 -0.13 0.00 -0.22 0.00 0.00 33.01 30.77 1wez s GLN 11 CO 0.33 -1.18 0.28 -1.13 -0.25 0.00 0.00 175.29 173.34 1wez n SER 12 N 4.10 -2.04 0.11 5.90 3.41 -1.26 -4.90 113.62 118.94 1wez n SER 12 Ca 0.09 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1wez n SER 12 Cb 0.37 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 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 -1.15 0.00 -3.26 6.66 -2.24 -1.26 -5.08 114.28 107.96 1wez n THR 13 Ca 0.11 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1wez n THR 13 Cb 0.42 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1wez n THR 13 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wez s THR 14 N -2.00 -0.74 0.36 4.28 -4.23 -1.26 -5.01 115.64 107.04 1wez s THR 14 Ca 0.00 -0.23 0.25 0.00 -1.18 0.00 0.00 61.69 60.53 1wez s THR 14 Cb 0.00 -0.95 0.39 0.00 1.34 0.00 0.00 72.50 73.28 1wez s THR 14 CO 0.00 -0.20 1.35 0.61 -0.54 0.00 0.00 174.62 175.84 1wez n GLY 15 N 5.30 -0.70 3.64 3.99 0.00 -1.26 -3.94 105.19 112.22 1wez n GLY 15 Ca 0.03 0.67 -0.43 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.12 2.85 0.21 1.61 3.76 -1.26 -3.92 115.29 113.43 1wez s HIS 16 Ca -0.07 1.01 -0.04 0.00 -0.15 0.00 0.00 55.06 55.81 1wez s HIS 16 Cb 0.28 -3.68 -0.03 0.00 1.11 0.00 0.00 32.58 30.25 1wez s HIS 16 CO 0.70 -1.50 0.22 0.00 -0.85 0.00 0.00 174.74 173.31 1wez s VAL 18 N -4.11 -0.43 0.36 0.00 1.01 -0.89 -1.55 120.40 114.79 1wez s VAL 18 Ca 0.33 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1wez s VAL 18 Cb 0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.62 1wez s VAL 18 CO 0.10 -0.17 0.76 -2.28 0.00 0.00 0.00 175.10 173.51 1wez s HIS 19 N 2.41 3.41 0.02 5.22 2.46 -0.45 -0.03 115.29 128.33 1wez s HIS 19 Ca 0.09 1.17 0.07 0.00 0.47 0.00 0.00 55.06 56.85 1wez s HIS 19 Cb -0.16 -2.51 -0.02 0.00 -0.13 0.00 0.00 32.58 29.76 1wez s HIS 19 CO -0.13 0.01 -0.19 -1.64 -2.47 0.00 0.00 174.74 170.31 1wez s MET 20 N -3.31 1.40 0.01 2.88 -1.94 0.54 -0.84 119.30 118.04 1wez s MET 20 Ca 0.53 -0.83 -0.10 0.00 -1.71 0.00 0.00 55.69 53.58 1wez s MET 20 Cb -0.10 -1.45 0.01 0.00 2.01 0.00 0.00 34.83 35.30 1wez s MET 20 CO 0.22 0.38 0.20 1.03 -0.01 0.00 0.00 175.02 176.84 1wez s ARG 21 N -0.92 0.61 -1.05 2.03 0.52 0.56 -1.74 118.95 118.95 1wez s ARG 21 Ca 0.07 -0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 1wez s ARG 21 Cb -0.08 0.26 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 1wez s ARG 21 CO 0.01 -0.16 0.91 0.41 0.02 0.00 0.00 175.30 176.49 1wez n GLY 22 N 1.10 -0.94 3.93 -3.53 0.00 -0.63 0.19 105.19 105.32 1wez n GLY 22 Ca -0.21 0.46 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.53 4.24 0.05 0.99 1.43 0.39 -2.86 118.68 117.38 1wez s LEU 23 Ca 0.35 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1wez s LEU 23 Cb -0.05 -3.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 1wez s LEU 23 CO 0.72 -0.05 1.17 -2.16 0.23 0.00 0.00 176.35 176.26 1wez s PRO 24 N -3.43 4.45 0.55 1.29 0.04 -1.26 -4.57 135.00 132.07 1wez s PRO 24 Ca 0.38 1.72 0.44 0.00 0.04 0.00 0.00 61.00 63.57 1wez s PRO 24 Cb -0.11 -3.37 1.65 0.00 0.04 0.00 0.00 34.50 32.71 1wez s PRO 24 CO 0.29 -0.24 1.68 -0.92 0.04 0.00 0.00 177.00 177.86 1wez h TYR 25 N 6.83 0.02 -0.84 0.56 3.20 -1.98 1.04 116.97 125.79 1wez h TYR 25 Ca -0.41 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 60.93 1wez h TYR 25 Cb 1.21 -0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.26 1wez h TYR 25 CO 0.67 -0.00 0.67 0.54 -1.64 0.00 0.00 178.16 178.40 1wez n ARG 26 N -4.07 2.31 -4.33 1.82 5.12 -1.26 -4.90 116.66 111.35 1wez n ARG 26 Ca 0.36 -2.52 -0.34 0.00 -1.93 0.00 0.00 57.85 53.41 1wez n ARG 26 Cb 1.65 -2.00 -0.12 0.00 -1.16 0.00 0.00 32.46 30.84 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 -2.87 3.09 0.51 7.54 0.00 0.36 -5.07 121.76 125.31 1wez s ALA 27 Ca 0.50 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1wez s ALA 27 Cb 0.39 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1wez s ALA 27 CO -0.04 0.22 0.07 0.95 0.00 0.00 0.00 175.76 176.96 1wez s THR 28 N 0.32 1.28 0.13 0.00 -4.23 -1.26 -5.00 115.64 106.88 1wez s THR 28 Ca -0.02 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 58.45 1wez s THR 28 Cb -0.14 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1wez s THR 28 CO 0.02 0.00 1.48 -0.33 -0.54 0.00 0.00 174.62 175.25 1wez h GLU 29 N 1.27 0.89 -0.69 3.99 3.07 -1.98 -1.62 114.58 119.51 1wez h GLU 29 Ca -0.43 -0.45 0.04 0.00 -0.50 0.00 0.00 59.36 58.02 1wez h GLU 29 Cb 1.31 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.18 1wez h GLU 29 CO 0.72 1.10 0.42 -0.97 -1.40 0.00 0.00 179.01 178.87 1wez h ASN 30 N 0.70 0.67 -0.61 1.42 -0.73 -1.98 0.45 115.58 115.49 1wez h ASN 30 Ca 0.07 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.18 1wez h ASN 30 Cb 0.91 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.34 1wez h ASN 30 CO 0.08 0.45 0.13 0.44 -0.37 0.00 0.00 177.43 178.16 1wez h ASP 31 N 0.80 0.94 -0.19 1.15 3.32 -1.94 -1.48 116.42 119.04 1wez h ASP 31 Ca 0.29 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1wez h ASP 31 Cb 0.08 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1wez h ASP 31 CO -0.13 0.94 -0.04 0.40 -1.72 0.00 0.00 179.24 178.69 1wez h ILE 32 N 0.90 1.20 -0.45 0.35 2.04 -0.25 1.49 117.51 122.80 1wez h ILE 32 Ca 0.19 -0.83 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 1wez h ILE 32 Cb 0.38 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1wez h ILE 32 CO 0.01 0.28 -0.12 1.88 0.00 0.00 0.00 178.15 180.19 1wez h TYR 33 N 0.47 0.90 0.18 1.37 0.05 0.50 -2.76 116.97 117.68 1wez h TYR 33 Ca 0.10 -0.17 -0.34 0.00 0.05 0.00 0.00 58.73 58.36 1wez h TYR 33 Cb 0.37 -0.23 0.01 0.00 1.01 0.00 0.00 36.73 37.89 1wez h TYR 33 CO 0.01 0.89 -1.67 -0.97 -1.05 0.00 0.00 178.16 175.37 1wez h ASN 34 N 0.74 0.61 0.00 3.88 -0.73 -0.69 -3.00 115.58 116.38 1wez h ASN 34 Ca 0.12 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.44 1wez h ASN 34 Cb 0.62 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1wez h ASN 34 CO 0.04 1.71 0.29 0.15 -0.37 0.00 0.00 177.43 179.25 1wez h PHE 35 N 0.11 0.00 0.00 0.67 3.57 0.21 0.65 116.94 122.15 1wez h PHE 35 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1wez h PHE 35 Cb 2.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.83 1wez h PHE 35 CO 0.10 0.00 -1.16 1.19 -2.23 0.00 0.00 178.31 176.20 1wez n PHE 36 N -2.82 0.00 -1.75 0.41 3.72 -1.05 -4.78 117.46 111.19 1wez n PHE 36 Ca -0.02 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 1wez n PHE 36 Cb 0.34 -0.15 0.06 0.00 -0.94 0.00 0.00 39.48 38.78 1wez n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wez s SER 37 N -3.08 4.71 -0.18 4.37 0.15 0.23 -3.60 113.70 116.30 1wez s SER 37 Ca 0.01 2.44 -0.29 0.00 0.70 0.00 0.00 55.95 58.80 1wez s SER 37 Cb 0.11 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1wez s SER 37 CO 0.67 -1.92 1.28 -2.16 1.20 0.00 0.00 173.24 172.31 1wez s PRO 38 N -3.55 4.19 0.15 5.44 0.04 -1.26 -5.01 135.00 135.01 1wez s PRO 38 Ca 0.78 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 63.20 1wez s PRO 38 Cb -0.32 -3.79 0.07 0.00 0.04 0.00 0.00 34.50 30.50 1wez s PRO 38 CO 0.39 -0.77 0.98 -0.51 0.04 0.00 0.00 177.00 177.13 1wez s LEU 39 N 3.64 -0.15 -0.34 -3.56 1.43 -1.24 -5.02 118.68 113.45 1wez s LEU 39 Ca 0.56 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1wez s LEU 39 Cb -0.22 2.12 0.13 0.00 0.03 0.00 0.00 46.19 48.26 1wez s LEU 39 CO 0.16 -0.90 0.19 0.21 0.23 0.00 0.00 176.35 176.25 1wez s ASN 40 N -2.99 3.17 0.19 2.29 3.84 -1.26 -5.00 114.94 115.17 1wez s ASN 40 Ca 0.13 -2.00 -0.30 0.00 0.21 0.00 0.00 52.86 50.90 1wez s ASN 40 Cb -0.01 -0.44 -0.08 0.00 -0.55 0.00 0.00 41.25 40.16 1wez s ASN 40 CO 0.02 -0.34 1.11 -2.16 -2.79 0.00 0.00 177.10 172.95 1wez s PRO 41 N 1.26 4.58 0.33 0.43 0.04 -1.26 -4.74 135.00 135.64 1wez s PRO 41 Ca 0.16 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1wez s PRO 41 Cb -0.21 -3.27 0.60 0.00 0.04 0.00 0.00 34.50 31.66 1wez s PRO 41 CO -0.08 0.06 1.96 0.52 0.04 0.00 0.00 177.00 179.50 1wez h MET 42 N 5.04 0.90 -1.43 4.56 2.86 -0.05 -3.45 114.93 123.36 1wez h MET 42 Ca -0.44 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.26 1wez h MET 42 Cb 1.21 -0.20 -0.25 0.00 0.06 0.00 0.00 31.60 32.42 1wez h MET 42 CO 0.72 0.60 0.65 -0.98 1.06 0.00 0.00 176.91 178.96 1wez s ARG 43 N -5.80 0.45 -0.26 1.72 1.70 -1.25 -5.02 118.95 110.48 1wez s ARG 43 Ca -0.11 0.14 -0.06 0.00 -0.47 0.00 0.00 55.73 55.24 1wez s ARG 43 Cb 0.19 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1wez s ARG 43 CO 0.78 -0.13 0.04 0.08 -1.08 0.00 0.00 175.30 174.99 1wez s VAL 44 N -0.96 3.88 -0.59 4.99 1.01 -1.26 -3.46 120.40 124.01 1wez s VAL 44 Ca 0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1wez s VAL 44 Cb -0.01 -2.89 0.15 0.00 0.00 0.00 0.00 36.38 33.63 1wez s VAL 44 CO -0.02 0.24 0.44 -2.28 0.00 0.00 0.00 175.10 173.49 1wez s HIS 45 N 1.52 3.50 -0.56 5.22 5.04 -0.56 -5.00 115.29 124.44 1wez s HIS 45 Ca 0.04 -2.32 -0.27 0.00 -1.54 0.00 0.00 55.06 50.97 1wez s HIS 45 Cb -0.16 -3.39 -0.01 0.00 0.04 0.00 0.00 32.58 29.06 1wez s HIS 45 CO 0.01 -0.93 1.70 0.42 -2.34 0.00 0.00 174.74 173.61 1wez s ILE 46 N 0.53 3.50 0.19 0.89 -1.09 -1.26 -0.62 121.20 123.35 1wez s ILE 46 Ca 0.13 0.37 -0.32 0.00 -2.23 0.00 0.00 60.65 58.60 1wez s ILE 46 Cb -0.21 -4.08 -0.12 0.00 -1.58 0.00 0.00 42.46 36.47 1wez s ILE 46 CO -0.04 -0.96 1.70 1.21 -1.23 0.00 0.00 174.94 175.62 1wez n GLU 47 N 8.95 2.64 -4.03 2.79 2.13 -0.29 -4.97 120.64 127.86 1wez n GLU 47 Ca 0.18 0.95 -0.34 0.00 0.66 0.00 0.00 57.16 58.60 1wez n GLU 47 Cb 0.50 -2.78 -0.10 0.00 0.27 0.00 0.00 31.44 29.33 1wez n GLU 47 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1wez s ILE 48 N 1.17 4.75 0.00 6.31 -1.09 -1.26 -3.43 121.20 127.65 1wez s ILE 48 Ca 0.76 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1wez s ILE 48 Cb -0.54 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1wez s ILE 48 CO 0.34 0.47 0.09 0.61 -1.23 0.00 0.00 174.94 175.22 1wez n GLY 49 N 3.43 -1.84 0.00 6.18 0.00 0.23 -4.60 105.19 108.59 1wez n GLY 49 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.13 0.00 -1.32 1.61 -0.04 -1.25 -4.93 135.00 128.94 1wez n PRO 50 Ca 0.00 0.27 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1wez n PRO 50 Cb 0.00 -0.89 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1wez n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wez n ASP 51 N -1.31 -0.34 0.00 3.54 -0.08 -1.26 -4.98 116.55 112.12 1wez n ASP 51 Ca 0.00 -0.99 0.00 0.00 -1.51 0.00 0.00 54.79 52.29 1wez n ASP 51 Cb 0.00 0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wez n GLY 52 N -0.24 0.08 3.90 0.27 0.00 -1.26 -5.14 105.19 102.80 1wez n GLY 52 Ca -0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.94 3.55 0.64 1.61 0.52 -1.26 -4.97 118.95 118.11 1wez s ARG 53 Ca 0.00 -0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 54.91 1wez s ARG 53 Cb 0.00 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 1wez s ARG 53 CO 0.00 0.60 1.06 0.14 0.02 0.00 0.00 175.30 177.12 1wez s VAL 54 N -1.42 3.91 -0.12 3.52 -7.23 -1.26 0.77 120.40 118.58 1wez s VAL 54 Ca 0.32 0.77 0.06 0.00 -1.81 0.00 0.00 61.98 61.31 1wez s VAL 54 Cb -0.13 -3.39 -0.08 0.00 0.56 0.00 0.00 36.38 33.35 1wez s VAL 54 CO 0.20 -0.67 0.18 1.07 -0.31 0.00 0.00 175.10 175.57 1wez n THR 55 N -2.55 0.00 0.00 5.32 5.66 -1.22 -4.28 114.28 117.21 1wez n THR 55 Ca 0.08 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1wez n THR 55 Cb 0.53 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 1wez n THR 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wez n GLY 56 N 1.71 1.10 3.71 1.09 0.00 -1.26 -4.76 105.19 106.78 1wez n GLY 56 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.74 2.56 -0.11 1.61 2.02 -1.26 -0.46 118.70 122.32 1wez s GLU 57 Ca 0.00 -1.06 -0.21 0.00 0.02 0.00 0.00 54.97 53.72 1wez s GLU 57 Cb 0.00 -2.43 0.05 0.00 0.10 0.00 0.00 34.13 31.85 1wez s GLU 57 CO 0.00 0.45 0.52 0.00 0.02 0.00 0.00 175.26 176.25 1wez s ALA 58 N -1.80 -1.32 -0.20 5.21 0.00 -0.71 -1.14 121.76 121.80 1wez s ALA 58 Ca 0.29 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1wez s ALA 58 Cb -0.09 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1wez s ALA 58 CO 0.20 -0.29 -0.13 -0.51 0.00 0.00 0.00 175.76 175.03 1wez s ASP 59 N -0.52 3.65 0.21 0.00 1.11 0.21 0.20 116.67 121.54 1wez s ASP 59 Ca -0.06 -0.57 0.06 0.00 0.18 0.00 0.00 52.55 52.15 1wez s ASP 59 Cb -0.03 -1.59 -0.04 0.00 1.07 0.00 0.00 42.92 42.33 1wez s ASP 59 CO 0.04 -0.02 0.17 -0.69 1.18 0.00 0.00 175.17 175.86 1wez s VAL 60 N 1.36 4.48 -0.05 -1.27 1.01 0.95 -1.50 120.40 125.39 1wez s VAL 60 Ca 0.05 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 1wez s VAL 60 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1wez s VAL 60 CO -0.09 -0.25 0.02 -0.70 0.00 0.00 0.00 175.10 174.09 1wez s GLU 61 N -3.53 0.24 0.02 2.72 2.56 -1.23 -2.09 118.70 117.40 1wez s GLU 61 Ca 0.32 0.20 0.06 0.00 0.00 0.00 0.00 54.97 55.55 1wez s GLU 61 Cb -0.09 -0.63 -0.03 0.00 2.00 0.00 0.00 34.13 35.38 1wez s GLU 61 CO 0.24 -0.26 -0.16 -0.06 -0.56 0.00 0.00 175.26 174.46 1wez s PHE 62 N 1.71 2.61 0.03 5.30 0.08 -1.17 0.74 117.98 127.28 1wez s PHE 62 Ca -0.00 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 56.57 1wez s PHE 62 Cb -0.13 -1.50 -0.17 0.00 -0.57 0.00 0.00 43.02 40.65 1wez s PHE 62 CO -0.03 0.25 1.40 0.00 -0.10 0.00 0.00 175.22 176.74 1wez h ALA 63 N 4.67 -0.30 -5.40 5.36 0.00 -1.86 -3.41 119.26 118.31 1wez h ALA 63 Ca -0.47 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.00 1wez h ALA 63 Cb 1.15 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1wez h ALA 63 CO 0.49 -0.54 -0.05 0.25 0.00 0.00 0.00 179.25 179.39 1wez n THR 64 N -5.11 0.00 -0.02 0.00 -2.24 -1.26 -4.86 114.28 100.79 1wez n THR 64 Ca -0.09 -1.10 -0.22 0.00 -2.27 0.00 0.00 64.05 60.37 1wez n THR 64 Cb 0.22 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 67.65 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 0.36 -0.62 4.78 2.76 -1.96 -3.36 115.15 117.23 1wez h HIS 65 Ca -0.16 -0.27 0.13 0.00 -2.20 0.00 0.00 60.37 57.87 1wez h HIS 65 Cb 0.70 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 29.54 1wez h HIS 65 CO 0.00 1.66 0.05 0.93 -1.30 0.00 0.00 177.93 179.27 1wez h GLU 66 N -0.29 0.16 -0.06 5.26 4.39 -1.97 1.28 114.58 123.36 1wez h GLU 66 Ca -0.37 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.33 1wez h GLU 66 Cb 1.79 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1wez h GLU 66 CO 0.01 0.11 0.21 -0.44 -1.16 0.00 0.00 179.01 177.73 1wez h ASP 67 N 0.16 0.00 0.00 1.42 5.19 -1.98 1.33 116.42 122.54 1wez h ASP 67 Ca 0.33 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.69 1wez h ASP 67 Cb 0.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1wez h ASP 67 CO -0.49 0.00 -0.63 0.00 -3.12 0.00 0.00 179.24 175.00 1wez h ALA 68 N 1.65 0.05 0.00 3.45 0.00 0.12 -3.24 119.26 121.29 1wez h ALA 68 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1wez h ALA 68 Cb 0.44 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wez h ALA 68 CO -0.00 0.52 0.02 0.28 0.00 0.00 0.00 179.25 180.07 1wez h VAL 69 N -1.00 0.00 0.02 0.00 2.07 0.39 0.31 116.25 118.04 1wez h VAL 69 Ca -0.07 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 1wez h VAL 69 Cb 0.64 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1wez h VAL 69 CO -0.04 0.00 -0.94 0.00 0.02 0.00 0.00 177.57 176.61 1wez h ALA 70 N 1.96 0.45 0.00 1.67 0.00 0.16 -3.01 119.26 120.49 1wez h ALA 70 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 1wez h ALA 70 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wez h ALA 70 CO 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 179.25 180.06 1wez h ALA 71 N 0.97 1.01 0.00 0.00 0.00 -0.41 -2.65 119.26 118.17 1wez h ALA 71 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wez h ALA 71 Cb 1.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1wez h ALA 71 CO 0.14 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.31 1wez n MET 72 N -3.34 0.11 0.10 0.00 2.81 -1.02 -0.37 117.12 115.40 1wez n MET 72 Ca 0.00 0.61 -0.05 0.00 -1.81 0.00 0.00 57.70 56.45 1wez n MET 72 Cb 0.43 -1.85 0.06 0.00 -0.71 0.00 0.00 33.22 31.15 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 2.00 0.73 -0.42 3.04 0.00 -1.63 -2.66 119.26 120.33 1wez h ALA 73 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1wez h ALA 73 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wez h ALA 73 CO 0.00 0.89 0.00 1.63 0.00 0.00 0.00 179.25 181.77 1wez n LYS 74 N -3.69 2.63 -2.13 0.00 4.76 0.50 -4.84 118.16 115.39 1wez n LYS 74 Ca -0.02 -1.78 -0.40 0.00 -2.87 0.00 0.00 58.31 53.25 1wez n LYS 74 Cb 0.72 -1.62 -0.01 0.00 -1.84 0.00 0.00 35.03 32.28 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 -0.78 6.55 0.00 4.39 -4.77 -1.00 -3.31 116.67 117.75 1wez s ASP 75 Ca 0.32 2.60 0.00 0.00 -3.30 0.00 0.00 52.55 52.17 1wez s ASP 75 Cb 0.20 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.39 1wez s ASP 75 CO 0.16 -0.68 0.00 0.29 0.70 0.00 0.00 175.17 175.65 1wez n LYS 76 N 0.41 0.00 -1.02 2.11 5.02 -0.86 -4.88 118.16 118.94 1wez n LYS 76 Ca 0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 1wez n LYS 76 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.39 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 -1.22 -2.26 7.82 0.00 -1.21 -2.87 120.51 120.77 1wez n ALA 77 Ca 0.00 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1wez n ALA 77 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1wez n ALA 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wez s ASN 78 N 1.35 6.87 0.41 0.00 -0.87 -1.26 -4.25 114.94 117.19 1wez s ASN 78 Ca 0.61 2.02 0.10 0.00 -1.57 0.00 0.00 52.86 54.02 1wez s ASN 78 Cb -0.87 -2.55 0.86 0.00 -0.02 0.00 0.00 41.25 38.67 1wez s ASN 78 CO 0.46 -0.73 1.97 -0.03 -2.57 0.00 0.00 177.10 176.19 1wez h MET 79 N 8.05 0.25 0.00 -0.60 1.85 -1.84 -3.43 114.93 119.21 1wez h MET 79 Ca -0.36 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 1wez h MET 79 Cb 1.16 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.15 1wez h MET 79 CO 0.92 0.32 0.00 1.04 -0.40 0.00 0.00 176.91 178.79 1wez n GLN 80 N -4.34 0.00 -0.38 0.39 6.02 -1.26 -5.00 117.38 112.82 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 0.21 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.47 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 -2.03 0.00 -4.33 1.08 1.44 -1.26 -5.09 115.22 105.03 1wez n HIS 81 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1wez n HIS 81 Cb 0.00 0.05 -0.15 0.00 0.12 0.00 0.00 29.99 30.02 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 0.76 -0.67 -1.40 1.81 -1.26 -5.07 118.95 113.12 1wez s ARG 82 Ca 0.00 -0.28 -0.28 0.00 -1.72 0.00 0.00 55.73 53.45 1wez s ARG 82 Cb 0.00 -0.73 0.03 0.00 -0.45 0.00 0.00 34.95 33.80 1wez s ARG 82 CO 0.00 0.14 1.25 0.71 -0.68 0.00 0.00 175.30 176.72 1wez s TYR 83 N -0.01 2.41 0.03 -0.53 2.02 -1.26 -3.31 117.35 116.70 1wez s TYR 83 Ca 0.00 0.17 -0.20 0.00 -0.37 0.00 0.00 57.07 56.68 1wez s TYR 83 Cb -0.05 -4.57 -0.06 0.00 -0.40 0.00 0.00 41.96 36.87 1wez s TYR 83 CO -0.00 -1.88 0.57 0.14 -1.57 0.00 0.00 175.55 172.81 1wez s VAL 84 N 5.46 4.83 -0.19 0.71 -7.23 -1.14 -4.71 120.40 118.14 1wez s VAL 84 Ca 0.39 1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 61.60 1wez s VAL 84 Cb -0.08 -3.90 -0.04 0.00 0.56 0.00 0.00 36.38 32.92 1wez s VAL 84 CO 0.20 0.50 0.44 -1.61 -0.31 0.00 0.00 175.10 174.31 1wez s GLU 85 N -0.69 4.21 -0.13 4.82 0.41 0.51 -2.03 118.70 125.80 1wez s GLU 85 Ca 0.29 0.29 -0.03 0.00 -0.41 0.00 0.00 54.97 55.12 1wez s GLU 85 Cb -0.19 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.61 1wez s GLU 85 CO 0.18 -0.03 -0.03 -0.51 -0.49 0.00 0.00 175.26 174.38 1wez s LEU 86 N 1.26 3.34 -0.26 1.80 1.43 -1.26 -0.32 118.68 124.66 1wez s LEU 86 Ca 0.21 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1wez s LEU 86 Cb -0.15 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.34 1wez s LEU 86 CO 0.09 0.24 -0.09 -0.36 0.23 0.00 0.00 176.35 176.46 1wez s PHE 87 N -0.09 3.20 -0.82 0.29 0.08 -0.02 -4.88 117.98 115.74 1wez s PHE 87 Ca 0.02 -2.08 -0.24 0.00 0.12 0.00 0.00 56.93 54.76 1wez s PHE 87 Cb -0.13 -1.98 0.06 0.00 -0.57 0.00 0.00 43.02 40.39 1wez s PHE 87 CO 0.02 -0.84 1.24 -1.17 -0.10 0.00 0.00 175.22 174.37 1wez s LEU 88 N 1.18 3.76 -0.40 -0.37 1.98 -1.26 -1.33 118.68 122.23 1wez s LEU 88 Ca -0.06 -1.04 -0.09 0.00 -2.89 0.00 0.00 54.13 50.05 1wez s LEU 88 Cb -0.19 -2.51 0.06 0.00 0.66 0.00 0.00 46.19 44.21 1wez s LEU 88 CO -0.05 -1.57 0.23 0.20 -1.89 0.00 0.00 176.35 173.28 1wez s ASN 89 N 4.05 5.64 0.20 3.68 0.01 -0.59 -5.01 114.94 122.92 1wez s ASN 89 Ca 0.35 -1.33 -0.03 0.00 -0.71 0.00 0.00 52.86 51.13 1wez s ASN 89 Cb -0.07 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 1wez s ASN 89 CO 0.04 -0.48 0.19 -0.94 -1.51 0.00 0.00 177.10 174.40 1wez s SER 90 N 1.90 0.12 -0.20 -1.22 1.04 -1.25 0.72 113.70 114.81 1wez s SER 90 Ca 0.02 -1.28 0.06 0.00 0.48 0.00 0.00 55.95 55.23 1wez s SER 90 Cb -0.22 0.41 -0.21 0.00 0.10 0.00 0.00 66.02 66.10 1wez s SER 90 CO 0.03 -0.88 0.04 0.41 0.98 0.00 0.00 173.24 173.82 1wez n THR 91 N -0.27 1.52 -1.11 2.02 -1.04 -1.26 -4.93 114.28 109.20 1wez n THR 91 Ca 0.01 -0.69 0.08 0.00 -2.04 0.00 0.00 64.05 61.41 1wez n THR 91 Cb 0.65 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.97 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 -3.01 -2.30 -2.98 2.41 0.00 -1.26 -4.99 120.51 108.38 1wez n ALA 92 Ca -0.37 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1wez n ALA 92 Cb 1.05 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.92 2.55 3.63 0.00 0.00 -1.26 -5.15 105.19 103.06 1wez n GLY 93 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 3.90 3.75 -0.30 2.61 -1.32 -1.26 -5.11 115.64 117.92 1wez s THR 94 Ca 0.00 -1.00 -0.17 0.00 -1.21 0.00 0.00 61.69 59.31 1wez s THR 94 Cb 0.00 -2.74 0.18 0.00 -1.51 0.00 0.00 72.50 68.43 1wez s THR 94 CO 0.00 0.19 1.14 -0.55 -2.21 0.00 0.00 174.62 173.19 1wez s SER 95 N -2.03 -0.30 0.00 8.08 0.15 -1.26 -5.16 113.70 113.18 1wez s SER 95 Ca 0.22 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1wez s SER 95 Cb -0.11 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1wez s SER 95 CO 0.14 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1wez n GLY 96 N 4.32 -0.84 1.54 9.45 0.00 -1.26 -5.15 105.19 113.25 1wez n GLY 96 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.17 -1.84 1.61 2.88 -1.26 -5.11 113.62 104.73 1wez n SER 97 Ca 0.00 0.77 -0.05 0.00 -1.33 0.00 0.00 58.87 58.25 1wez n SER 97 Cb 0.00 -2.76 -0.00 0.00 -0.75 0.00 0.00 64.21 60.69 1wez n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wez n GLY 98 N 0.77 2.22 3.68 0.46 0.00 -1.26 -5.18 105.19 105.88 1wez n GLY 98 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1wez n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wez n PRO 99 N -0.25 -2.21 0.05 1.61 -0.04 -1.26 -5.05 135.00 127.84 1wez n PRO 99 Ca -0.01 -1.90 -0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1wez n PRO 99 Cb 0.26 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1wez n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wez n SER 100 N -4.36 1.06 -4.77 3.54 2.88 -1.26 -5.05 113.62 105.67 1wez n SER 100 Ca 0.16 0.13 -0.39 0.00 -1.33 0.00 0.00 58.87 57.45 1wez n SER 100 Cb 0.58 -0.32 -0.05 0.00 -0.75 0.00 0.00 64.21 63.67 1wez n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wez s SER 101 N -5.95 7.28 0.00 -3.46 0.15 -1.26 -5.35 113.70 105.11 1wez s SER 101 Ca -0.00 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.68 1wez s SER 101 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1wez s SER 101 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94