#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvo s SER 2 N 0.00 1.08 0.24 1.61 0.01 -1.26 -5.17 113.70 110.20 1wvo s SER 2 Ca 0.00 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 56.48 1wvo s SER 2 Cb 0.00 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 1wvo s SER 2 CO 0.00 -0.28 0.29 -0.44 0.41 0.00 0.00 173.24 173.22 1wvo s SER 3 N -2.14 0.19 0.00 2.44 0.01 -1.26 -4.95 113.70 108.00 1wvo s SER 3 Ca -0.01 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1wvo s SER 3 Cb -0.05 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1wvo s SER 3 CO -0.01 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1wvo n GLY 4 N -0.35 0.47 3.59 3.44 0.00 -1.26 -5.03 105.19 106.05 1wvo n GLY 4 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1wvo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wvo s SER 5 N -2.00 -0.41 -0.67 1.61 0.15 -1.26 -5.04 113.70 106.08 1wvo s SER 5 Ca 0.00 0.64 0.05 0.00 0.70 0.00 0.00 55.95 57.33 1wvo s SER 5 Cb 0.00 1.24 0.17 0.00 -1.71 0.00 0.00 66.02 65.72 1wvo s SER 5 CO 0.00 -0.10 0.46 -0.94 1.20 0.00 0.00 173.24 173.86 1wvo s SER 6 N 1.50 4.58 1.30 5.45 1.04 -1.26 -4.85 113.70 121.46 1wvo s SER 6 Ca -0.07 -3.73 -0.22 0.00 0.48 0.00 0.00 55.95 52.41 1wvo s SER 6 Cb -0.04 -1.56 0.33 0.00 0.10 0.00 0.00 66.02 64.85 1wvo s SER 6 CO -0.14 -0.10 1.07 0.61 0.98 0.00 0.00 173.24 175.65 1wvo n GLY 7 N 2.13 -3.03 3.89 7.32 0.00 -1.26 -3.05 105.19 111.20 1wvo n GLY 7 Ca 0.19 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 1wvo n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wvo s SER 8 N -4.22 6.01 0.00 1.61 0.15 -0.68 -4.03 113.70 112.53 1wvo s SER 8 Ca 0.71 0.01 -0.30 0.00 0.70 0.00 0.00 55.95 57.07 1wvo s SER 8 Cb -0.08 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1wvo s SER 8 CO 0.56 0.02 1.17 -0.69 1.20 0.00 0.00 173.24 175.49 1wvo s VAL 9 N -1.85 4.24 0.05 4.45 1.01 -0.81 -1.70 120.40 125.80 1wvo s VAL 9 Ca 0.33 1.59 0.06 0.00 0.00 0.00 0.00 61.98 63.97 1wvo s VAL 9 Cb -0.10 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1wvo s VAL 9 CO 0.27 0.07 -0.17 0.68 0.00 0.00 0.00 175.10 175.94 1wvo s VAL 10 N 1.57 1.37 0.09 2.92 -7.23 -0.53 -1.65 120.40 116.95 1wvo s VAL 10 Ca 0.56 -1.18 -0.31 0.00 -1.81 0.00 0.00 61.98 59.24 1wvo s VAL 10 Cb -0.26 -1.24 -0.11 0.00 0.56 0.00 0.00 36.38 35.34 1wvo s VAL 10 CO 0.26 0.03 1.86 0.00 -0.31 0.00 0.00 175.10 176.94 1wvo n ALA 11 N 1.69 1.95 0.12 1.32 0.00 0.67 -2.85 120.51 123.42 1wvo n ALA 11 Ca -0.18 0.30 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 1wvo n ALA 11 Cb 0.54 -2.60 0.28 0.00 0.00 0.00 0.00 19.45 17.67 1wvo n ALA 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wvo h LYS 12 N 8.91 0.17 -4.14 0.00 3.64 -1.36 -0.29 116.57 123.51 1wvo h LYS 12 Ca -0.47 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 58.61 1wvo h LYS 12 Cb 1.23 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 1wvo h LYS 12 CO 0.94 0.52 -0.27 0.14 -2.27 0.00 0.00 179.45 178.51 1wvo s VAL 13 N -4.24 0.00 0.28 2.00 -7.23 -1.26 -4.66 120.40 105.29 1wvo s VAL 13 Ca -0.04 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1wvo s VAL 13 Cb 0.14 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.49 1wvo s VAL 13 CO 0.75 0.00 1.26 -0.75 -0.31 0.00 0.00 175.10 176.05 1wvo s LYS 14 N -3.52 4.43 -0.24 4.82 2.20 -1.26 -4.07 119.74 122.09 1wvo s LYS 14 Ca 0.31 2.08 -0.00 0.00 -0.36 0.00 0.00 55.97 57.99 1wvo s LYS 14 Cb 0.01 -3.13 0.07 0.00 -1.51 0.00 0.00 37.83 33.27 1wvo s LYS 14 CO 0.16 -0.11 0.01 0.42 -0.36 0.00 0.00 175.35 175.47 1wvo s ILE 15 N -0.78 1.14 0.67 5.43 1.01 -1.26 -4.92 121.20 122.50 1wvo s ILE 15 Ca 0.50 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1wvo s ILE 15 Cb -0.37 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1wvo s ILE 15 CO 0.46 -0.28 1.11 -2.16 0.00 0.00 0.00 174.94 174.07 1wvo s PRO 16 N 1.55 2.72 0.52 2.79 0.04 -1.26 -0.81 135.00 140.55 1wvo s PRO 16 Ca -0.00 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.21 1wvo s PRO 16 Cb -0.18 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1wvo s PRO 16 CO -0.11 -1.31 0.93 -1.91 0.04 0.00 0.00 177.00 174.64 1wvo n GLU 17 N -2.54 1.04 -0.95 4.56 2.13 -1.25 -2.42 120.64 121.20 1wvo n GLU 17 Ca 0.10 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1wvo n GLU 17 Cb 0.52 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.17 1wvo n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wvo n GLY 18 N 1.31 0.89 3.78 8.31 0.00 -0.43 -4.94 105.19 114.10 1wvo n GLY 18 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1wvo n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wvo s THR 19 N -3.65 4.67 -0.03 2.61 2.01 -1.02 -4.80 115.64 115.42 1wvo s THR 19 Ca 0.00 1.46 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 1wvo s THR 19 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1wvo s THR 19 CO 0.00 0.47 0.97 -0.63 -0.69 0.00 0.00 174.62 174.74 1wvo s ILE 20 N -0.69 4.86 0.45 1.82 -1.09 -1.26 -2.30 121.20 122.99 1wvo s ILE 20 Ca 0.33 2.01 -0.24 0.00 -2.23 0.00 0.00 60.65 60.53 1wvo s ILE 20 Cb -0.20 -4.30 -0.07 0.00 -1.58 0.00 0.00 42.46 36.30 1wvo s ILE 20 CO 0.22 0.12 1.23 -0.76 -1.23 0.00 0.00 174.94 174.52 1wvo s LEU 21 N 1.27 4.05 0.02 2.97 1.43 0.23 -4.89 118.68 123.77 1wvo s LEU 21 Ca 0.50 2.48 -0.05 0.00 -1.03 0.00 0.00 54.13 56.03 1wvo s LEU 21 Cb -0.20 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 1wvo s LEU 21 CO 0.25 -0.99 0.08 0.42 0.23 0.00 0.00 176.35 176.34 1wvo s THR 22 N -1.41 0.11 0.57 5.49 -4.23 -1.26 -0.90 115.64 114.01 1wvo s THR 22 Ca 0.63 -0.94 0.26 0.00 -1.18 0.00 0.00 61.69 60.46 1wvo s THR 22 Cb -0.33 -0.63 0.36 0.00 1.34 0.00 0.00 72.50 73.24 1wvo s THR 22 CO 0.41 -0.52 2.08 0.24 -0.54 0.00 0.00 174.62 176.29 1wvo h MET 23 N 4.05 0.00 -0.33 3.99 2.86 -1.96 0.07 114.93 123.61 1wvo h MET 23 Ca -0.32 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.42 1wvo h MET 23 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1wvo h MET 23 CO 0.46 0.00 0.25 0.22 1.06 0.00 0.00 176.91 178.90 1wvo h ASP 24 N 0.00 0.00 -0.07 1.22 3.58 -2.01 -1.83 116.42 117.31 1wvo h ASP 24 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1wvo h ASP 24 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1wvo h ASP 24 CO -0.00 0.00 0.00 0.23 -2.88 0.00 0.00 179.24 176.59 1wvo n MET 25 N -4.32 0.87 -4.10 0.28 2.81 -0.02 -4.91 117.12 107.73 1wvo n MET 25 Ca 0.05 -1.21 -0.31 0.00 -1.81 0.00 0.00 57.70 54.42 1wvo n MET 25 Cb 0.43 -1.15 -0.07 0.00 -0.71 0.00 0.00 33.22 31.72 1wvo n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wvo s LEU 26 N -0.72 3.79 0.30 4.03 1.43 -0.69 -1.02 118.68 125.80 1wvo s LEU 26 Ca 0.10 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1wvo s LEU 26 Cb 0.06 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1wvo s LEU 26 CO 0.09 0.22 0.73 0.28 0.23 0.00 0.00 176.35 177.90 1wvo s THR 27 N -1.29 0.00 0.12 5.49 -1.32 -1.13 -4.71 115.64 112.80 1wvo s THR 27 Ca 0.26 -1.01 0.08 0.00 -1.21 0.00 0.00 61.69 59.81 1wvo s THR 27 Cb -0.12 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.63 1wvo s THR 27 CO 0.18 0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.71 1wvo s VAL 28 N -3.57 1.70 -0.23 5.08 1.01 -1.26 -1.45 120.40 121.68 1wvo s VAL 28 Ca 0.12 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1wvo s VAL 28 Cb -0.06 -1.64 0.06 0.00 0.00 0.00 0.00 36.38 34.75 1wvo s VAL 28 CO 0.08 -0.18 -0.03 -0.54 0.00 0.00 0.00 175.10 174.43 1wvo s LYS 29 N -2.27 1.41 0.69 2.72 -0.14 -0.69 -4.87 119.74 116.58 1wvo s LYS 29 Ca 0.10 -0.90 -0.17 0.00 -1.36 0.00 0.00 55.97 53.63 1wvo s LYS 29 Cb -0.08 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.58 1wvo s LYS 29 CO 0.05 -0.63 1.24 1.33 -0.76 0.00 0.00 175.35 176.59 1wvo n VAL 30 N 4.74 4.18 0.00 3.17 0.24 -1.26 -2.52 118.33 126.88 1wvo n VAL 30 Ca -0.11 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1wvo n VAL 30 Cb 0.44 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 1wvo n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wvo n GLY 31 N 0.87 -0.38 3.29 7.63 0.00 -1.26 -4.83 105.19 110.51 1wvo n GLY 31 Ca 0.15 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 1wvo n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wvo s GLU 32 N 0.00 1.22 -0.72 1.61 1.03 -1.26 -4.45 118.70 116.14 1wvo s GLU 32 Ca 0.00 -1.58 -0.06 0.00 0.03 0.00 0.00 54.97 53.36 1wvo s GLU 32 Cb 0.00 -0.60 -0.04 0.00 -0.80 0.00 0.00 34.13 32.69 1wvo s GLU 32 CO 0.00 -0.03 2.96 -0.35 -1.33 0.00 0.00 175.26 176.50 1wvo n PRO 33 N -0.32 3.00 -1.41 -4.83 -0.04 -1.17 -1.68 135.00 128.54 1wvo n PRO 33 Ca -0.07 -2.20 -0.42 0.00 -0.04 0.00 0.00 63.50 60.77 1wvo n PRO 33 Cb 0.63 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.73 1wvo n PRO 33 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wvo n LYS 34 N 1.96 1.99 0.00 0.54 2.85 -1.26 -4.76 118.16 119.47 1wvo n LYS 34 Ca 0.55 -2.15 0.00 0.00 -1.05 0.00 0.00 58.31 55.66 1wvo n LYS 34 Cb 0.53 -3.08 0.00 0.00 -0.65 0.00 0.00 35.03 31.83 1wvo n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wvo n GLY 35 N 4.46 0.48 3.67 2.58 0.00 -1.26 -4.80 105.19 110.32 1wvo n GLY 35 Ca 0.50 -2.00 -0.45 0.00 0.00 0.00 0.00 46.02 44.07 1wvo n GLY 35 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wvo n TYR 36 N 2.56 2.21 -1.88 1.61 9.36 -1.18 -4.84 117.16 125.01 1wvo n TYR 36 Ca 0.00 0.40 -0.32 0.00 3.32 0.00 0.00 57.90 61.30 1wvo n TYR 36 Cb 0.00 -2.48 0.03 0.00 -0.63 0.00 0.00 39.34 36.26 1wvo n TYR 36 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1wvo s PRO 37 N -0.25 3.16 0.43 2.98 0.04 -1.26 -1.91 135.00 138.18 1wvo s PRO 37 Ca 0.69 1.14 0.22 0.00 0.04 0.00 0.00 61.00 63.10 1wvo s PRO 37 Cb -0.65 -2.01 0.88 0.00 0.04 0.00 0.00 34.50 32.76 1wvo s PRO 37 CO 0.48 -0.93 1.81 -1.35 0.04 0.00 0.00 177.00 177.05 1wvo h PRO 38 N 0.05 0.00 -0.04 0.56 0.11 -1.91 -3.15 132.00 127.62 1wvo h PRO 38 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wvo h PRO 38 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wvo h PRO 38 CO 0.57 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 1wvo n GLU 39 N -3.46 1.26 0.00 1.05 4.71 -1.26 -3.78 120.64 119.16 1wvo n GLU 39 Ca -0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 57.16 56.76 1wvo n GLU 39 Cb 0.44 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 1wvo n GLU 39 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1wvo n ASP 40 N -0.46 0.35 -0.52 1.62 9.92 -1.19 -4.84 116.55 121.42 1wvo n ASP 40 Ca 0.18 -0.66 0.43 0.00 -0.53 0.00 0.00 54.79 54.21 1wvo n ASP 40 Cb 0.18 0.42 0.71 0.00 -0.64 0.00 0.00 41.12 41.78 1wvo n ASP 40 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1wvo h ILE 41 N 0.11 0.02 0.00 0.53 2.10 -1.65 -1.62 117.51 117.00 1wvo h ILE 41 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1wvo h ILE 41 Cb 0.05 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 35.79 1wvo h ILE 41 CO 0.00 0.00 0.06 0.49 -1.08 0.00 0.00 178.15 177.62 1wvo n PHE 42 N -4.57 0.27 -0.03 2.19 3.72 -1.26 -1.33 117.46 116.45 1wvo n PHE 42 Ca 0.41 0.14 0.01 0.00 -0.05 0.00 0.00 57.45 57.96 1wvo n PHE 42 Cb 1.65 -0.67 -0.14 0.00 -0.94 0.00 0.00 39.48 39.38 1wvo n PHE 42 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1wvo n ASN 43 N -1.76 0.23 -0.17 4.37 0.23 -0.61 -4.19 115.26 113.37 1wvo n ASN 43 Ca -0.01 0.10 -0.04 0.00 -0.53 0.00 0.00 54.58 54.10 1wvo n ASN 43 Cb 0.07 1.17 0.14 0.00 -2.08 0.00 0.00 39.78 39.09 1wvo n ASN 43 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1wvo h LEU 44 N 0.00 0.87 -9.21 -4.53 3.38 -1.39 -3.39 115.31 101.05 1wvo h LEU 44 Ca -0.23 -0.17 -0.55 0.00 0.09 0.00 0.00 57.88 57.01 1wvo h LEU 44 Cb 1.57 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1wvo h LEU 44 CO 0.02 0.86 1.09 0.54 0.09 0.00 0.00 178.44 181.03 1wvo s VAL 45 N -5.21 3.66 0.00 1.22 0.11 -1.21 -1.84 120.40 117.12 1wvo s VAL 45 Ca -0.10 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1wvo s VAL 45 Cb 0.15 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1wvo s VAL 45 CO 0.82 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 173.09 1wvo n GLY 46 N 4.21 2.13 3.89 6.54 0.00 -0.08 -4.95 105.19 116.93 1wvo n GLY 46 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1wvo n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvo s LYS 47 N -0.36 3.61 -0.10 1.61 1.02 -0.77 -4.71 119.74 120.04 1wvo s LYS 47 Ca 0.00 0.37 -0.04 0.00 0.02 0.00 0.00 55.97 56.32 1wvo s LYS 47 Cb 0.00 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1wvo s LYS 47 CO 0.00 -0.23 0.07 0.21 -0.92 0.00 0.00 175.35 174.48 1wvo s LYS 48 N -4.60 3.23 0.15 1.68 2.20 -1.26 -0.60 119.74 120.53 1wvo s LYS 48 Ca 0.50 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 1wvo s LYS 48 Cb -0.10 -3.00 -0.07 0.00 -1.51 0.00 0.00 37.83 33.15 1wvo s LYS 48 CO 0.43 0.73 1.05 0.14 -0.36 0.00 0.00 175.35 177.34 1wvo s VAL 49 N -0.92 4.13 -0.69 4.02 -7.23 -0.97 -2.30 120.40 116.43 1wvo s VAL 49 Ca 0.14 1.79 0.26 0.00 -1.81 0.00 0.00 61.98 62.36 1wvo s VAL 49 Cb -0.12 -4.15 0.26 0.00 0.56 0.00 0.00 36.38 32.93 1wvo s VAL 49 CO 0.03 0.29 1.69 -0.07 -0.31 0.00 0.00 175.10 176.73 1wvo h LEU 50 N 5.36 0.00 -8.04 1.32 3.38 -1.42 -1.13 115.31 114.78 1wvo h LEU 50 Ca -0.44 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1wvo h LEU 50 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1wvo h LEU 50 CO 0.73 0.01 -0.35 0.68 0.09 0.00 0.00 178.44 179.60 1wvo s VAL 51 N -3.12 0.09 0.08 1.22 -7.23 -1.26 -4.83 120.40 105.34 1wvo s VAL 51 Ca 0.10 -1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1wvo s VAL 51 Cb 0.12 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 1wvo s VAL 51 CO 0.62 -0.39 1.06 -0.89 -0.31 0.00 0.00 175.10 175.20 1wvo s THR 52 N -3.95 4.33 0.53 5.32 2.01 -1.26 -3.86 115.64 118.76 1wvo s THR 52 Ca 0.15 1.79 0.07 0.00 0.31 0.00 0.00 61.69 64.01 1wvo s THR 52 Cb 0.04 -4.15 0.09 0.00 0.01 0.00 0.00 72.50 68.50 1wvo s THR 52 CO -0.02 0.21 0.74 0.52 -0.69 0.00 0.00 174.62 175.37 1wvo n VAL 53 N 3.33 0.00 -4.23 3.82 0.31 0.01 -4.88 118.33 116.68 1wvo n VAL 53 Ca 0.05 -1.63 -0.13 0.00 -0.01 0.00 0.00 64.34 62.62 1wvo n VAL 53 Cb 0.48 -0.65 -0.10 0.00 -0.91 0.00 0.00 33.84 32.66 1wvo n VAL 53 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wvo s GLU 54 N -4.40 1.09 0.37 5.55 2.02 -1.26 -4.00 118.70 118.08 1wvo s GLU 54 Ca 0.54 -1.53 -0.27 0.00 0.02 0.00 0.00 54.97 53.73 1wvo s GLU 54 Cb -0.04 -0.19 -0.09 0.00 0.10 0.00 0.00 34.13 33.91 1wvo s GLU 54 CO 0.35 -0.16 1.31 -2.00 0.02 0.00 0.00 175.26 174.79 1wvo s GLU 55 N -3.94 4.13 0.00 1.61 2.12 -1.26 -2.64 118.70 118.73 1wvo s GLU 55 Ca 0.24 2.20 0.00 0.00 0.36 0.00 0.00 54.97 57.78 1wvo s GLU 55 Cb 0.06 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1wvo s GLU 55 CO 0.04 -0.37 0.00 -0.25 -0.54 0.00 0.00 175.26 174.14 1wvo n ASP 56 N 0.42 -2.33 -4.82 -1.70 8.00 -0.12 -4.94 116.55 111.06 1wvo n ASP 56 Ca 0.02 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1wvo n ASP 56 Cb 0.43 -1.86 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 1wvo n ASP 56 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1wvo s ASP 57 N -2.21 6.01 0.16 -2.24 1.11 -1.08 -4.67 116.67 113.75 1wvo s ASP 57 Ca 0.00 1.71 -0.30 0.00 0.18 0.00 0.00 52.55 54.14 1wvo s ASP 57 Cb 0.00 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.40 1wvo s ASP 57 CO 0.00 -1.01 1.04 -0.89 1.18 0.00 0.00 175.17 175.49 1wvo s THR 58 N -2.59 4.09 -0.14 -1.27 2.01 -1.26 -0.24 115.64 116.24 1wvo s THR 58 Ca 0.61 1.80 -0.11 0.00 0.31 0.00 0.00 61.69 64.30 1wvo s THR 58 Cb -0.14 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1wvo s THR 58 CO 0.38 0.31 0.24 -0.63 -0.69 0.00 0.00 174.62 174.22 1wvo s ILE 59 N -0.23 5.34 0.06 1.82 -1.09 -0.66 -4.85 121.20 121.59 1wvo s ILE 59 Ca 0.48 0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 59.32 1wvo s ILE 59 Cb -0.27 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1wvo s ILE 59 CO 0.33 0.48 -0.02 -0.04 -1.23 0.00 0.00 174.94 174.47 1wvo s MET 60 N -0.15 0.66 0.43 2.79 -1.94 -1.26 -3.08 119.30 116.76 1wvo s MET 60 Ca 0.15 -1.26 0.12 0.00 -1.71 0.00 0.00 55.69 53.00 1wvo s MET 60 Cb -0.13 0.21 0.99 0.00 2.01 0.00 0.00 34.83 37.91 1wvo s MET 60 CO 0.04 -0.13 2.01 1.05 -0.01 0.00 0.00 175.02 177.97 1wvo h GLU 61 N 3.10 0.42 0.00 2.03 4.11 -1.98 -1.83 114.58 120.43 1wvo h GLU 61 Ca -0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1wvo h GLU 61 Cb 1.15 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1wvo h GLU 61 CO 0.65 0.28 0.00 -0.85 0.07 0.00 0.00 179.01 179.16 1wvo n GLU 62 N -4.47 0.59 -0.08 1.06 0.28 -1.26 -2.76 120.64 114.01 1wvo n GLU 62 Ca 0.08 0.03 0.07 0.00 -0.16 0.00 0.00 57.16 57.17 1wvo n GLU 62 Cb 0.28 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.75 1wvo n GLU 62 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wvo n LEU 63 N -1.11 2.47 -4.14 -1.84 4.77 -0.69 -4.96 117.00 111.50 1wvo n LEU 63 Ca 0.15 -1.36 -0.21 0.00 -0.03 0.00 0.00 56.01 54.57 1wvo n LEU 63 Cb 0.12 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 1wvo n LEU 63 CO 0.15 0.53 -0.47 0.68 -1.33 0.00 0.00 177.39 176.95 1wvo s VAL 64 N -1.07 1.14 0.66 4.08 -7.23 -1.11 -1.02 120.40 115.85 1wvo s VAL 64 Ca 0.20 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.43 1wvo s VAL 64 Cb 0.12 -1.01 0.08 0.00 0.56 0.00 0.00 36.38 36.13 1wvo s VAL 64 CO 0.17 0.08 0.92 -0.62 -0.31 0.00 0.00 175.10 175.35 1wvo s ASP 65 N -0.98 4.73 0.85 4.85 2.15 -0.97 -4.90 116.67 122.40 1wvo s ASP 65 Ca 0.03 -0.09 -0.13 0.00 0.43 0.00 0.00 52.55 52.79 1wvo s ASP 65 Cb -0.07 -0.51 0.07 0.00 -0.30 0.00 0.00 42.92 42.11 1wvo s ASP 65 CO 0.01 -1.58 0.92 -3.20 -0.17 0.00 0.00 175.17 171.15 1wvo n ASN 66 N -2.69 -0.12 -4.58 -0.34 5.15 -1.26 -4.55 115.26 106.86 1wvo n ASN 66 Ca 0.11 0.49 -0.27 0.00 -0.60 0.00 0.00 54.58 54.32 1wvo n ASN 66 Cb 0.60 -1.39 -0.10 0.00 -0.53 0.00 0.00 39.78 38.35 1wvo n ASN 66 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1wvo s HIS 67 N -2.27 2.46 -0.10 1.20 -3.43 -1.26 -4.75 115.29 107.15 1wvo s HIS 67 Ca 0.67 -0.56 0.00 0.00 -0.80 0.00 0.00 55.06 54.38 1wvo s HIS 67 Cb -0.27 -1.55 0.00 0.00 -1.43 0.00 0.00 32.58 29.33 1wvo s HIS 67 CO 0.57 0.52 0.00 0.41 -2.00 0.00 0.00 174.74 174.24 1wvo n GLY 68 N -0.88 0.41 3.68 -1.38 0.00 -1.26 -5.10 105.19 100.66 1wvo n GLY 68 Ca -0.05 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.44 1wvo n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wvo s LYS 69 N -0.04 2.18 0.08 1.61 2.36 -1.26 -5.15 119.74 119.52 1wvo s LYS 69 Ca 0.00 -1.73 -0.14 0.00 -2.55 0.00 0.00 55.97 51.55 1wvo s LYS 69 Cb 0.00 -1.99 0.02 0.00 -1.05 0.00 0.00 37.83 34.81 1wvo s LYS 69 CO 0.00 0.07 0.32 -1.59 1.55 0.00 0.00 175.35 175.70 1wvo s LYS 70 N -3.79 0.92 0.02 4.03 0.00 -1.26 -5.13 119.74 114.53 1wvo s LYS 70 Ca 0.37 -0.66 -0.30 0.00 0.00 0.00 0.00 55.97 55.38 1wvo s LYS 70 Cb 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 37.83 38.17 1wvo s LYS 70 CO 0.21 -0.32 1.51 0.96 0.00 0.00 0.00 175.35 177.70 1wvo s ILE 71 N -3.26 3.47 -1.30 3.79 -4.36 -1.26 -4.90 121.20 113.38 1wvo s ILE 71 Ca -0.00 0.86 -0.08 0.00 -0.26 0.00 0.00 60.65 61.16 1wvo s ILE 71 Cb 0.01 -3.55 -0.08 0.00 1.25 0.00 0.00 42.46 40.10 1wvo s ILE 71 CO -0.08 -0.01 2.97 1.17 0.24 0.00 0.00 174.94 179.23 1wvo n LYS 72 N 5.61 3.56 -3.90 0.37 3.00 -1.26 -4.84 118.16 120.70 1wvo n LYS 72 Ca 0.14 -2.23 -0.11 0.00 -0.00 0.00 0.00 58.31 56.11 1wvo n LYS 72 Cb 0.42 -2.63 -0.12 0.00 0.00 0.00 0.00 35.03 32.71 1wvo n LYS 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wvo s SER 73 N 1.79 0.06 1.07 3.14 0.15 -1.26 -5.17 113.70 113.47 1wvo s SER 73 Ca 0.67 -0.16 -0.13 0.00 0.70 0.00 0.00 55.95 57.03 1wvo s SER 73 Cb 0.21 0.14 0.22 0.00 -1.71 0.00 0.00 66.02 64.88 1wvo s SER 73 CO -0.06 -0.20 1.08 -0.55 1.20 0.00 0.00 173.24 174.71 1wvo s SER 74 N -0.79 2.02 0.00 5.45 0.15 -1.26 -5.09 113.70 114.19 1wvo s SER 74 Ca -0.09 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.70 1wvo s SER 74 Cb -0.05 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1wvo s SER 74 CO 0.00 -3.50 0.00 0.61 1.20 0.00 0.00 173.24 171.55 1wvo n GLY 75 N -0.75 3.12 3.50 9.45 0.00 -1.26 -5.18 105.19 114.08 1wvo n GLY 75 Ca 0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1wvo n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wvo s PRO 76 N -0.24 -1.15 0.04 1.61 0.04 -1.26 -5.09 135.00 128.94 1wvo s PRO 76 Ca 0.00 0.48 0.02 0.00 0.04 0.00 0.00 61.00 61.54 1wvo s PRO 76 Cb 0.00 -1.56 -0.02 0.00 0.04 0.00 0.00 34.50 32.96 1wvo s PRO 76 CO 0.00 -3.79 -0.07 0.45 0.04 0.00 0.00 177.00 173.63 1wvo s SER 77 N -3.03 0.77 0.82 6.66 0.15 -1.26 -5.17 113.70 112.64 1wvo s SER 77 Ca 0.68 -0.50 -0.06 0.00 0.70 0.00 0.00 55.95 56.77 1wvo s SER 77 Cb -0.19 0.03 0.17 0.00 -1.71 0.00 0.00 66.02 64.31 1wvo s SER 77 CO 0.61 -0.19 1.13 -0.44 1.20 0.00 0.00 173.24 175.55 1wvo s SER 78 N -1.42 3.78 0.00 5.45 0.01 -1.26 -5.37 113.70 114.89 1wvo s SER 78 Ca -0.09 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1wvo s SER 78 Cb -0.09 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1wvo s SER 78 CO 0.00 -2.26 0.00 0.61 0.41 0.00 0.00 173.24 172.00