#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 1.63 0.01 1.61 0.15 -1.26 -5.13 113.70 110.71 1wvo s SER 2 Ca 0.00 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 1wvo s SER 2 Cb 0.00 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 1wvo s SER 2 CO 0.00 0.12 1.17 -0.44 1.20 0.00 0.00 173.24 175.30 1wvo s SER 3 N -0.01 7.10 0.17 5.45 0.01 -1.26 -5.04 113.70 120.12 1wvo s SER 3 Ca -0.01 1.89 0.03 0.00 1.31 0.00 0.00 55.95 59.17 1wvo s SER 3 Cb -0.08 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.60 1wvo s SER 3 CO 0.01 -0.49 0.23 0.61 0.41 0.00 0.00 173.24 174.01 1wvo n GLY 4 N 3.23 2.03 3.67 3.44 0.00 -1.26 -5.08 105.19 111.23 1wvo n GLY 4 Ca 0.09 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1wvo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wvo s SER 5 N -2.07 6.86 0.30 1.61 0.01 -1.26 -5.02 113.70 114.13 1wvo s SER 5 Ca 0.17 1.06 -0.29 0.00 1.31 0.00 0.00 55.95 58.20 1wvo s SER 5 Cb -0.01 -2.41 -0.13 0.00 0.21 0.00 0.00 66.02 63.67 1wvo s SER 5 CO 0.11 -0.32 1.18 -1.20 0.41 0.00 0.00 173.24 173.43 1wvo n SER 6 N 4.97 2.09 -0.83 2.44 7.64 -1.26 -4.88 113.62 123.79 1wvo n SER 6 Ca 0.02 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1wvo n SER 6 Cb 0.49 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1wvo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wvo n GLY 7 N 1.18 0.79 2.98 0.23 0.00 -1.26 -2.76 105.19 106.34 1wvo n GLY 7 Ca 0.08 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1wvo n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wvo s SER 8 N -0.50 0.57 -0.02 1.61 1.04 -0.65 -3.74 113.70 112.01 1wvo s SER 8 Ca 0.00 -0.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 1wvo s SER 8 Cb 0.00 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 1wvo s SER 8 CO 0.00 -0.05 1.50 -0.69 0.98 0.00 0.00 173.24 174.97 1wvo s VAL 9 N -0.58 3.64 0.15 5.02 1.01 -1.12 -0.47 120.40 128.05 1wvo s VAL 9 Ca -0.03 0.94 0.08 0.00 0.00 0.00 0.00 61.98 62.97 1wvo s VAL 9 Cb -0.05 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1wvo s VAL 9 CO -0.00 -0.03 -0.18 0.68 0.00 0.00 0.00 175.10 175.56 1wvo s VAL 10 N 3.03 1.77 -0.10 2.92 -7.23 0.09 -2.09 120.40 118.79 1wvo s VAL 10 Ca 0.67 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.68 1wvo s VAL 10 Cb -0.32 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1wvo s VAL 10 CO 0.27 -0.30 1.61 0.00 -0.31 0.00 0.00 175.10 176.37 1wvo s ALA 11 N -1.97 3.55 0.31 1.32 0.00 -0.04 -2.11 121.76 122.81 1wvo s ALA 11 Ca 0.14 0.79 0.11 0.00 0.00 0.00 0.00 51.96 53.01 1wvo s ALA 11 Cb -0.06 -3.75 0.51 0.00 0.00 0.00 0.00 23.12 19.81 1wvo s ALA 11 CO 0.06 -1.49 1.70 -0.22 0.00 0.00 0.00 175.76 175.81 1wvo h LYS 12 N 9.67 0.00 -3.83 0.00 3.64 -1.32 0.39 116.57 125.12 1wvo h LYS 12 Ca -0.37 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1wvo h LYS 12 Cb 1.16 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 1wvo h LYS 12 CO 0.96 0.51 -0.35 0.14 -2.27 0.00 0.00 179.45 178.45 1wvo s VAL 13 N -3.85 0.11 0.45 2.00 -7.23 -1.25 -4.74 120.40 105.90 1wvo s VAL 13 Ca -0.02 -1.25 -0.25 0.00 -1.81 0.00 0.00 61.98 58.66 1wvo s VAL 13 Cb 0.13 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.48 1wvo s VAL 13 CO 0.75 -0.52 1.36 -0.75 -0.31 0.00 0.00 175.10 175.63 1wvo s LYS 14 N -3.90 3.71 -0.22 4.82 2.20 -1.26 -4.48 119.74 120.61 1wvo s LYS 14 Ca 0.09 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1wvo s LYS 14 Cb 0.04 -2.62 0.06 0.00 -1.51 0.00 0.00 37.83 33.80 1wvo s LYS 14 CO -0.07 -0.75 -0.04 0.42 -0.36 0.00 0.00 175.35 174.55 1wvo s ILE 15 N -1.25 1.33 0.57 5.43 1.01 0.51 -4.93 121.20 123.87 1wvo s ILE 15 Ca 0.61 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 1wvo s ILE 15 Cb -0.41 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1wvo s ILE 15 CO 0.51 -0.08 1.20 -2.16 0.00 0.00 0.00 174.94 174.41 1wvo s PRO 16 N 1.49 3.13 0.56 2.79 0.04 -1.26 -0.93 135.00 140.83 1wvo s PRO 16 Ca -0.04 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 1wvo s PRO 16 Cb -0.18 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1wvo s PRO 16 CO -0.07 -1.07 0.89 -1.91 0.04 0.00 0.00 177.00 174.88 1wvo n GLU 17 N -1.40 0.92 -0.89 4.56 0.00 -1.24 -2.89 120.64 119.69 1wvo n GLU 17 Ca 0.12 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.63 1wvo n GLU 17 Cb 0.49 -2.06 0.00 0.00 0.00 0.00 0.00 31.44 29.88 1wvo n GLU 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wvo n GLY 18 N 1.36 1.06 3.80 8.31 0.00 -0.71 -4.65 105.19 114.37 1wvo n GLY 18 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.83 4.44 0.05 2.61 2.01 -1.14 -4.76 115.64 115.02 1wvo s THR 19 Ca 0.00 1.48 -0.24 0.00 0.31 0.00 0.00 61.69 63.24 1wvo s THR 19 Cb 0.00 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 1wvo s THR 19 CO 0.00 0.18 0.73 -0.63 -0.69 0.00 0.00 174.62 174.20 1wvo s ILE 20 N -1.56 4.72 0.56 1.82 -1.09 -1.26 -1.58 121.20 122.80 1wvo s ILE 20 Ca 0.46 1.55 -0.18 0.00 -2.23 0.00 0.00 60.65 60.24 1wvo s ILE 20 Cb -0.17 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1wvo s ILE 20 CO 0.22 0.40 1.08 -0.76 -1.23 0.00 0.00 174.94 174.66 1wvo s LEU 21 N -0.27 3.65 0.07 2.97 1.43 0.31 -4.93 118.68 121.91 1wvo s LEU 21 Ca 0.36 1.99 -0.05 0.00 -1.03 0.00 0.00 54.13 55.40 1wvo s LEU 21 Cb -0.20 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.44 1wvo s LEU 21 CO 0.22 -1.15 0.10 0.42 0.23 0.00 0.00 176.35 176.17 1wvo s THR 22 N -2.09 0.17 0.39 5.49 -4.23 -1.26 -2.40 115.64 111.71 1wvo s THR 22 Ca 0.68 -1.38 0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1wvo s THR 22 Cb -0.19 -1.32 0.13 0.00 1.34 0.00 0.00 72.50 72.46 1wvo s THR 22 CO 0.30 -0.76 1.88 0.24 -0.54 0.00 0.00 174.62 175.74 1wvo h MET 23 N 3.06 0.10 -0.23 3.99 2.86 -1.95 -2.99 114.93 119.77 1wvo h MET 23 Ca -0.34 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.33 1wvo h MET 23 Cb 1.18 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1wvo h MET 23 CO 0.58 0.35 0.16 0.22 1.06 0.00 0.00 176.91 179.29 1wvo h ASP 24 N 0.09 0.06 -0.57 1.22 3.58 -2.02 -1.36 116.42 117.42 1wvo h ASP 24 Ca 0.01 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1wvo h ASP 24 Cb 0.50 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1wvo h ASP 24 CO 0.04 0.04 0.00 0.23 -2.88 0.00 0.00 179.24 176.67 1wvo n MET 25 N -4.48 2.35 -4.25 0.28 2.81 -1.13 -4.89 117.12 107.81 1wvo n MET 25 Ca 0.02 -2.09 -0.15 0.00 -1.81 0.00 0.00 57.70 53.67 1wvo n MET 25 Cb 0.26 -1.46 -0.10 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.03 2.49 -0.01 4.03 1.43 -0.51 -0.96 118.68 124.12 1wvo s LEU 26 Ca 0.39 -0.94 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 1wvo s LEU 26 Cb 0.20 -0.42 0.07 0.00 0.03 0.00 0.00 46.19 46.08 1wvo s LEU 26 CO 0.27 -0.27 0.64 0.28 0.23 0.00 0.00 176.35 177.50 1wvo s THR 27 N -2.92 0.00 -0.26 5.49 -1.32 -0.90 -4.66 115.64 111.08 1wvo s THR 27 Ca 0.14 -0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 60.49 1wvo s THR 27 Cb -0.00 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1wvo s THR 27 CO 0.02 -0.02 0.13 0.68 -2.21 0.00 0.00 174.62 173.21 1wvo s VAL 28 N -1.73 4.83 -0.24 5.08 -7.23 -1.26 -0.73 120.40 119.12 1wvo s VAL 28 Ca -0.09 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 1wvo s VAL 28 Cb -0.00 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 1wvo s VAL 28 CO 0.05 0.30 1.68 -0.75 -0.31 0.00 0.00 175.10 176.07 1wvo s LYS 29 N 1.62 3.68 -1.08 4.82 2.20 0.38 -4.76 119.74 126.60 1wvo s LYS 29 Ca 0.07 1.63 -0.22 0.00 -0.36 0.00 0.00 55.97 57.09 1wvo s LYS 29 Cb -0.15 -4.09 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 1wvo s LYS 29 CO 0.07 -1.44 1.77 0.08 -0.36 0.00 0.00 175.35 175.47 1wvo s VAL 30 N 5.65 3.73 0.00 4.02 1.01 -1.26 -1.63 120.40 131.92 1wvo s VAL 30 Ca 0.74 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1wvo s VAL 30 Cb -0.25 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1wvo s VAL 30 CO 0.31 -1.44 0.00 0.61 0.00 0.00 0.00 175.10 174.58 1wvo n GLY 31 N 6.33 -0.47 3.25 4.51 0.00 -1.11 -4.93 105.19 112.77 1wvo n GLY 31 Ca 0.41 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.29 0.95 0.00 1.61 1.03 -1.26 -4.70 118.70 116.04 1wvo s GLU 32 Ca 0.00 -1.01 0.00 0.00 0.03 0.00 0.00 54.97 53.99 1wvo s GLU 32 Cb 0.00 0.36 0.00 0.00 -0.80 0.00 0.00 34.13 33.69 1wvo s GLU 32 CO 0.00 -0.32 1.12 -0.35 -1.33 0.00 0.00 175.26 174.38 1wvo n PRO 33 N -0.12 0.69 -0.75 -4.83 -0.04 -1.25 -2.80 135.00 125.91 1wvo n PRO 33 Ca -0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1wvo n PRO 33 Cb 0.63 -1.15 0.19 0.00 -0.04 0.00 0.00 33.50 33.12 1wvo n PRO 33 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1wvo s LYS 34 N 0.50 0.40 5.08 0.54 -2.85 -1.26 -4.71 119.74 117.45 1wvo s LYS 34 Ca 0.00 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 1wvo s LYS 34 Cb 0.00 -1.68 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 1wvo s LYS 34 CO 0.00 -2.93 0.00 0.41 0.10 0.00 0.00 175.35 172.93 1wvo n GLY 35 N 0.13 3.09 3.76 0.59 0.00 -1.26 -4.56 105.19 106.95 1wvo n GLY 35 Ca 0.08 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1wvo n GLY 35 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wvo s TYR 36 N 0.00 3.75 0.69 1.61 5.04 -1.18 -5.01 117.35 122.24 1wvo s TYR 36 Ca 0.00 1.38 -0.17 0.00 -2.44 0.00 0.00 57.07 55.85 1wvo s TYR 36 Cb 0.00 -2.71 0.01 0.00 0.35 0.00 0.00 41.96 39.60 1wvo s TYR 36 CO 0.00 0.36 1.22 -0.35 -1.34 0.00 0.00 175.55 175.43 1wvo n PRO 37 N 2.52 0.85 0.14 4.97 -0.04 -1.26 -2.80 135.00 139.39 1wvo n PRO 37 Ca -0.05 0.35 0.03 0.00 -0.04 0.00 0.00 63.50 63.79 1wvo n PRO 37 Cb 0.50 -2.45 0.03 0.00 -0.04 0.00 0.00 33.50 31.54 1wvo n PRO 37 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1wvo h PRO 38 N 0.16 0.00 -0.45 0.54 0.13 -1.93 -3.31 132.00 127.14 1wvo h PRO 38 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1wvo h PRO 38 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1wvo h PRO 38 CO 0.51 0.48 0.05 1.49 -0.23 0.00 0.00 178.00 180.30 1wvo h GLU 39 N 0.00 0.75 0.00 0.86 4.81 -1.93 -3.05 114.58 116.02 1wvo h GLU 39 Ca -0.01 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1wvo h GLU 39 Cb 1.37 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1wvo h GLU 39 CO 0.06 0.79 0.00 -0.25 -0.73 0.00 0.00 179.01 178.88 1wvo n ASP 40 N -4.45 0.00 -0.30 1.04 8.00 -1.25 -4.20 116.55 115.40 1wvo n ASP 40 Ca 0.00 -1.01 0.21 0.00 0.71 0.00 0.00 54.79 54.70 1wvo n ASP 40 Cb 0.26 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.85 1wvo n ASP 40 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1wvo h ILE 41 N 0.00 0.60 -0.32 0.53 2.10 -1.70 -0.08 117.51 118.63 1wvo h ILE 41 Ca 0.00 -0.15 0.03 0.00 1.08 0.00 0.00 64.86 65.82 1wvo h ILE 41 Cb 0.00 0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 35.84 1wvo h ILE 41 CO 0.00 0.08 0.22 -0.26 -1.08 0.00 0.00 178.15 177.11 1wvo h PHE 42 N 0.43 0.29 -0.01 2.19 0.04 -1.88 -0.95 116.94 117.06 1wvo h PHE 42 Ca 0.55 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.32 1wvo h PHE 42 Cb 1.34 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 1wvo h PHE 42 CO -0.00 0.17 -0.02 -0.91 -0.60 0.00 0.00 178.31 176.95 1wvo h ASN 43 N 0.31 0.04 -0.47 2.17 2.35 -1.35 -3.26 115.58 115.37 1wvo h ASN 43 Ca 0.13 -0.51 0.05 0.00 -0.55 0.00 0.00 56.30 55.42 1wvo h ASN 43 Cb 0.16 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1wvo h ASN 43 CO -0.03 0.55 0.22 -0.07 -1.65 0.00 0.00 177.43 176.45 1wvo h LEU 44 N -0.46 0.30 -8.49 1.61 3.38 -1.39 -3.37 115.31 106.90 1wvo h LEU 44 Ca 0.00 0.03 -0.47 0.00 0.09 0.00 0.00 57.88 57.53 1wvo h LEU 44 Cb 0.54 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1wvo h LEU 44 CO 0.00 0.21 1.34 -0.69 0.09 0.00 0.00 178.44 179.40 1wvo s VAL 45 N -6.14 3.30 0.00 1.22 1.01 -0.41 -0.83 120.40 118.55 1wvo s VAL 45 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wvo s VAL 45 Cb 0.13 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1wvo s VAL 45 CO 0.73 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1wvo n GLY 46 N 5.85 1.07 3.92 4.51 0.00 -1.01 -4.89 105.19 114.64 1wvo n GLY 46 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 2.26 -0.07 1.61 1.02 -0.01 -4.51 119.74 120.03 1wvo s LYS 47 Ca 0.00 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1wvo s LYS 47 Cb 0.00 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 1wvo s LYS 47 CO 0.00 -1.24 -0.10 0.21 -0.92 0.00 0.00 175.35 173.30 1wvo s LYS 48 N -5.29 2.79 0.22 1.68 2.20 -1.07 -0.53 119.74 119.73 1wvo s LYS 48 Ca 0.60 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 1wvo s LYS 48 Cb -0.11 -2.55 -0.08 0.00 -1.51 0.00 0.00 37.83 33.58 1wvo s LYS 48 CO 0.46 0.58 1.12 0.14 -0.36 0.00 0.00 175.35 177.29 1wvo s VAL 49 N -0.61 3.67 -0.45 4.02 -7.23 -0.61 -0.45 120.40 118.74 1wvo s VAL 49 Ca 0.09 1.51 0.23 0.00 -1.81 0.00 0.00 61.98 62.00 1wvo s VAL 49 Cb -0.11 -3.96 0.22 0.00 0.56 0.00 0.00 36.38 33.09 1wvo s VAL 49 CO 0.02 0.29 1.47 -0.07 -0.31 0.00 0.00 175.10 176.50 1wvo h LEU 50 N 4.68 0.00 -8.33 1.32 3.38 -1.56 -1.88 115.31 112.92 1wvo h LEU 50 Ca -0.45 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.35 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 0.71 0.01 -0.41 0.68 0.09 0.00 0.00 178.44 179.52 1wvo s VAL 51 N -3.23 0.03 -0.45 1.22 -7.23 -1.26 -4.82 120.40 104.66 1wvo s VAL 51 Ca 0.06 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 1wvo s VAL 51 Cb 0.08 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.87 1wvo s VAL 51 CO 0.69 -0.15 1.32 -0.89 -0.31 0.00 0.00 175.10 175.76 1wvo s THR 52 N -4.05 3.99 -0.14 5.32 2.01 -1.26 -3.70 115.64 117.81 1wvo s THR 52 Ca 0.26 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 63.02 1wvo s THR 52 Cb 0.04 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1wvo s THR 52 CO 0.06 -0.90 0.73 -0.69 -0.69 0.00 0.00 174.62 173.13 1wvo s VAL 53 N 5.17 4.98 0.92 3.82 1.01 -0.10 -4.88 120.40 131.32 1wvo s VAL 53 Ca 0.56 1.44 -0.14 0.00 0.00 0.00 0.00 61.98 63.84 1wvo s VAL 53 Cb -0.11 -4.05 0.15 0.00 0.00 0.00 0.00 36.38 32.37 1wvo s VAL 53 CO 0.32 0.14 1.20 -1.61 0.00 0.00 0.00 175.10 175.14 1wvo s GLU 54 N 1.56 1.06 0.49 2.72 0.41 -1.26 -0.36 118.70 123.32 1wvo s GLU 54 Ca 0.35 0.02 -0.21 0.00 -0.41 0.00 0.00 54.97 54.72 1wvo s GLU 54 Cb -0.17 -1.86 -0.07 0.00 -1.78 0.00 0.00 34.13 30.25 1wvo s GLU 54 CO 0.14 -2.20 1.10 -2.00 -0.49 0.00 0.00 175.26 171.82 1wvo s GLU 55 N -5.55 3.67 0.00 1.61 2.12 -1.26 -3.13 118.70 116.17 1wvo s GLU 55 Ca 0.67 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.57 1wvo s GLU 55 Cb -0.10 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1wvo s GLU 55 CO 0.52 -0.58 0.00 -3.47 -0.54 0.00 0.00 175.26 171.19 1wvo n ASP 56 N -0.86 -4.27 -4.76 -1.70 2.03 0.13 -4.94 116.55 102.17 1wvo n ASP 56 Ca 0.09 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.05 1wvo n ASP 56 Cb 0.50 -3.04 0.02 0.00 -0.72 0.00 0.00 41.12 37.89 1wvo n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wvo s ASP 57 N -2.02 5.36 -0.43 1.67 2.15 -1.18 -4.57 116.67 117.66 1wvo s ASP 57 Ca 0.00 2.23 -0.27 0.00 0.43 0.00 0.00 52.55 54.94 1wvo s ASP 57 Cb 0.00 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 1wvo s ASP 57 CO 0.00 -1.47 1.01 -0.89 -0.17 0.00 0.00 175.17 173.65 1wvo s THR 58 N -1.81 4.42 0.10 1.71 2.01 -1.26 -0.87 115.64 119.94 1wvo s THR 58 Ca 0.74 1.12 -0.31 0.00 0.31 0.00 0.00 61.69 63.55 1wvo s THR 58 Cb -0.26 -4.46 -0.07 0.00 0.01 0.00 0.00 72.50 67.72 1wvo s THR 58 CO 0.32 -0.78 1.35 -0.63 -0.69 0.00 0.00 174.62 174.19 1wvo s ILE 59 N 3.90 3.49 0.15 1.82 -1.09 -0.89 -4.97 121.20 123.61 1wvo s ILE 59 Ca 0.42 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.93 1wvo s ILE 59 Cb -0.10 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1wvo s ILE 59 CO 0.25 0.08 -0.07 -0.04 -1.23 0.00 0.00 174.94 173.92 1wvo s MET 60 N 1.18 1.04 0.46 2.79 -1.94 -1.26 -3.10 119.30 118.47 1wvo s MET 60 Ca 0.63 -1.46 0.14 0.00 -1.71 0.00 0.00 55.69 53.29 1wvo s MET 60 Cb -0.35 -0.49 1.05 0.00 2.01 0.00 0.00 34.83 37.05 1wvo s MET 60 CO 0.30 0.02 2.04 1.05 -0.01 0.00 0.00 175.02 178.41 1wvo h GLU 61 N 2.78 0.07 0.00 2.03 4.11 -1.95 -1.75 114.58 119.87 1wvo h GLU 61 Ca -0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1wvo h GLU 61 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1wvo h GLU 61 CO 0.64 0.16 0.00 1.05 0.07 0.00 0.00 179.01 180.93 1wvo h GLU 62 N 0.07 0.00 -0.40 1.06 4.11 -2.00 -2.48 114.58 114.94 1wvo h GLU 62 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1wvo h GLU 62 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1wvo h GLU 62 CO 0.01 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.37 1wvo n LEU 63 N -2.43 3.50 -4.05 3.06 4.77 -0.66 -4.92 117.00 116.27 1wvo n LEU 63 Ca 0.01 -1.53 -0.19 0.00 -0.03 0.00 0.00 56.01 54.26 1wvo n LEU 63 Cb 0.17 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 1wvo n LEU 63 CO 0.18 0.76 -0.44 0.68 -1.33 0.00 0.00 177.39 177.24 1wvo s VAL 64 N -1.46 0.82 0.26 4.08 -7.23 -0.93 -1.34 120.40 114.60 1wvo s VAL 64 Ca 0.39 -0.47 0.06 0.00 -1.81 0.00 0.00 61.98 60.14 1wvo s VAL 64 Cb 0.23 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1wvo s VAL 64 CO 0.32 0.21 0.36 -0.62 -0.31 0.00 0.00 175.10 175.05 1wvo s ASP 65 N -0.30 6.11 0.43 4.85 2.15 0.40 -4.90 116.67 125.42 1wvo s ASP 65 Ca 0.04 -0.04 -0.25 0.00 0.43 0.00 0.00 52.55 52.72 1wvo s ASP 65 Cb -0.04 -1.65 -0.08 0.00 -0.30 0.00 0.00 42.92 40.85 1wvo s ASP 65 CO -0.00 -0.14 1.31 0.21 -0.17 0.00 0.00 175.17 176.38 1wvo s ASN 66 N -4.00 6.13 -0.50 -0.34 3.84 -1.26 -2.60 114.94 116.22 1wvo s ASN 66 Ca 0.36 2.67 -0.28 0.00 0.21 0.00 0.00 52.86 55.81 1wvo s ASN 66 Cb -0.09 -2.64 0.02 0.00 -0.55 0.00 0.00 41.25 37.99 1wvo s ASN 66 CO 0.29 -0.97 1.34 -2.28 -2.79 0.00 0.00 177.10 172.68 1wvo s HIS 67 N -1.29 2.45 1.05 0.43 5.65 -1.26 -4.67 115.29 117.66 1wvo s HIS 67 Ca 0.60 0.58 -0.17 0.00 0.25 0.00 0.00 55.06 56.31 1wvo s HIS 67 Cb -0.38 -4.39 0.23 0.00 -1.18 0.00 0.00 32.58 26.86 1wvo s HIS 67 CO 0.48 -1.81 1.25 0.20 -0.65 0.00 0.00 174.74 174.21 1wvo s GLY 68 N 3.76 1.71 0.00 1.59 0.00 -1.26 -5.07 107.32 108.05 1wvo s GLY 68 Ca 0.54 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1wvo s GLY 68 CO 0.29 -0.30 0.00 1.17 0.00 0.00 0.00 173.10 174.26 1wvo n LYS 69 N -4.14 0.00 -1.84 2.90 4.81 -1.26 -4.88 118.16 113.75 1wvo n LYS 69 Ca 0.15 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 1wvo n LYS 69 Cb 0.59 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.63 1wvo n LYS 69 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1wvo n LYS 70 N -1.42 2.69 -1.91 1.64 5.02 -1.26 -4.94 118.16 117.98 1wvo n LYS 70 Ca 0.00 -2.63 -0.30 0.00 -2.02 0.00 0.00 58.31 53.36 1wvo n LYS 70 Cb 0.00 -3.30 0.15 0.00 -0.02 0.00 0.00 35.03 31.86 1wvo n LYS 70 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1wvo s ILE 71 N 3.96 2.00 -0.19 -0.18 -4.36 -1.26 -5.11 121.20 116.06 1wvo s ILE 71 Ca 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.86 1wvo s ILE 71 Cb 0.11 -3.00 0.09 0.00 1.25 0.00 0.00 42.46 40.92 1wvo s ILE 71 CO -0.02 0.00 0.27 -0.75 0.24 0.00 0.00 174.94 174.68 1wvo s LYS 72 N -5.77 0.21 -0.42 0.37 2.47 -1.26 -5.11 119.74 110.23 1wvo s LYS 72 Ca 0.70 0.46 -0.28 0.00 -1.56 0.00 0.00 55.97 55.28 1wvo s LYS 72 Cb -0.07 -0.67 -0.08 0.00 -1.46 0.00 0.00 37.83 35.56 1wvo s LYS 72 CO 0.52 -0.53 2.35 0.45 0.16 0.00 0.00 175.35 178.29 1wvo n SER 73 N 5.34 2.44 0.09 1.43 2.88 -1.26 -4.85 113.62 119.69 1wvo n SER 73 Ca -0.05 -0.13 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 1wvo n SER 73 Cb 0.50 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.43 1wvo n SER 73 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wvo h SER 74 N 16.78 -0.26 0.00 -3.46 4.64 -2.05 -3.50 113.55 125.70 1wvo h SER 74 Ca -0.28 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1wvo h SER 74 Cb 1.27 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1wvo h SER 74 CO 1.10 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 1wvo n GLY 75 N 0.84 2.58 3.56 -0.77 0.00 -1.26 -5.18 105.19 104.96 1wvo n GLY 75 Ca -0.05 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 1wvo n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wvo n PRO 76 N -0.83 -1.06 -4.48 1.61 -0.04 -1.26 -5.11 135.00 123.84 1wvo n PRO 76 Ca 0.00 -1.97 -0.22 0.00 -0.04 0.00 0.00 63.50 61.27 1wvo n PRO 76 Cb 0.00 -1.18 -0.16 0.00 -0.04 0.00 0.00 33.50 32.12 1wvo n PRO 76 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wvo s SER 77 N -5.40 1.41 -0.06 3.54 1.04 -1.26 -5.06 113.70 107.92 1wvo s SER 77 Ca 0.68 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 1wvo s SER 77 Cb -0.02 -0.42 -0.01 0.00 0.10 0.00 0.00 66.02 65.67 1wvo s SER 77 CO 0.48 0.07 -0.04 -1.28 0.98 0.00 0.00 173.24 173.45 1wvo h SER 78 N 6.45 0.00 0.00 7.02 0.87 -1.99 -3.46 113.55 122.44 1wvo h SER 78 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1wvo h SER 78 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1wvo h SER 78 CO 0.48 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.68