#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va8 n SER 2 N 0.00 -7.00 -3.65 1.61 2.88 -1.26 -5.10 113.62 101.11 1va8 n SER 2 Ca 0.00 0.97 -0.02 0.00 -1.33 0.00 0.00 58.87 58.49 1va8 n SER 2 Cb 0.00 -3.75 -0.03 0.00 -0.75 0.00 0.00 64.21 59.67 1va8 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1va8 s SER 3 N -0.64 -0.01 0.00 -3.46 1.04 -1.26 -5.18 113.70 104.19 1va8 s SER 3 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1va8 s SER 3 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1va8 s SER 3 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1va8 n GLY 4 N 0.33 3.85 1.82 7.32 0.00 -1.26 -5.11 105.19 112.14 1va8 n GLY 4 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1va8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1va8 n SER 5 N 0.00 0.03 0.00 1.61 2.88 -1.26 -5.11 113.62 111.77 1va8 n SER 5 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1va8 n SER 5 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1va8 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1va8 n SER 6 N -3.05 0.00 0.00 -3.46 2.88 -1.26 -5.10 113.62 103.63 1va8 n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1va8 n SER 6 Cb 0.00 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1va8 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va8 n GLY 7 N -1.48 2.15 3.55 0.46 0.00 -1.26 -5.03 105.19 103.58 1va8 n GLY 7 Ca 0.00 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1va8 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va8 s PRO 8 N 0.00 2.95 0.27 1.61 0.04 -1.26 -4.98 135.00 133.63 1va8 s PRO 8 Ca 0.00 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 1va8 s PRO 8 Cb 0.00 -4.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.18 1va8 s PRO 8 CO 0.00 -2.39 0.96 0.42 0.04 0.00 0.00 177.00 176.03 1va8 s ILE 9 N 7.29 4.05 0.56 0.56 1.01 -1.26 -5.05 121.20 128.37 1va8 s ILE 9 Ca 0.51 1.94 -0.09 0.00 0.00 0.00 0.00 60.65 63.01 1va8 s ILE 9 Cb -0.10 -4.19 0.14 0.00 0.01 0.00 0.00 42.46 38.32 1va8 s ILE 9 CO 0.19 0.37 0.51 0.35 0.00 0.00 0.00 174.94 176.35 1va8 n THR 10 N 1.15 0.00 0.00 2.92 -2.24 -1.26 -5.09 114.28 109.76 1va8 n THR 10 Ca -0.01 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1va8 n THR 10 Cb 0.48 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1va8 n THR 10 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1va8 n ASP 11 N -3.85 0.00 -3.22 3.42 5.68 -1.26 -5.12 116.55 112.21 1va8 n ASP 11 Ca 0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.35 1va8 n ASP 11 Cb 0.27 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.23 1va8 n ASP 11 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1va8 s GLU 12 N 0.00 0.50 -1.28 0.11 2.12 -1.26 -4.89 118.70 114.00 1va8 s GLU 12 Ca 0.00 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.70 1va8 s GLU 12 Cb 0.00 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1va8 s GLU 12 CO 0.00 -1.05 0.00 0.54 -0.54 0.00 0.00 175.26 174.21 1va8 n ARG 13 N 5.39 -1.42 -0.60 4.30 1.74 -1.26 -4.74 116.66 120.07 1va8 n ARG 13 Ca 0.03 0.71 0.08 0.00 -0.77 0.00 0.00 57.85 57.90 1va8 n ARG 13 Cb 0.52 -5.00 0.31 0.00 -1.02 0.00 0.00 32.46 27.28 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1va8 n VAL 14 N -2.07 2.30 -0.76 1.55 0.31 -1.26 -4.99 118.33 113.42 1va8 n VAL 14 Ca -0.13 -1.57 -0.05 0.00 -0.01 0.00 0.00 64.34 62.58 1va8 n VAL 14 Cb 0.44 -0.16 0.04 0.00 -0.91 0.00 0.00 33.84 33.26 1va8 n VAL 14 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1va8 n TYR 15 N 0.16 -3.39 -1.62 3.52 4.02 -1.26 -5.10 117.16 113.49 1va8 n TYR 15 Ca 0.23 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1va8 n TYR 15 Cb 0.96 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1va8 n TYR 15 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1va8 n GLU 16 N -1.94 3.94 -1.72 -0.72 0.28 -1.26 -5.02 120.64 114.19 1va8 n GLU 16 Ca 0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.60 1va8 n GLU 16 Cb 0.11 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.95 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1va8 s SER 17 N 0.46 5.53 -0.03 -1.84 0.01 -1.26 -4.95 113.70 111.62 1va8 s SER 17 Ca 0.00 1.68 -0.08 0.00 1.31 0.00 0.00 55.95 58.87 1va8 s SER 17 Cb 0.00 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 1va8 s SER 17 CO 0.00 -1.93 0.25 -0.63 0.41 0.00 0.00 173.24 171.34 1va8 s ILE 18 N 8.07 5.33 -1.19 1.44 1.09 -1.26 -4.99 121.20 129.69 1va8 s ILE 18 Ca 0.94 0.27 -0.08 0.00 -1.10 0.00 0.00 60.65 60.68 1va8 s ILE 18 Cb -0.29 -3.54 -0.10 0.00 -1.06 0.00 0.00 42.46 37.47 1va8 s ILE 18 CO 0.34 0.47 3.05 0.61 -0.10 0.00 0.00 174.94 179.32 1va8 n GLY 19 N 1.48 4.07 1.66 6.18 0.00 -1.26 -4.02 105.19 113.30 1va8 n GLY 19 Ca -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1va8 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1va8 n HIS 20 N 3.05 0.00 -2.90 1.61 -0.00 -1.26 -4.79 115.22 110.93 1va8 n HIS 20 Ca 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.39 1va8 n HIS 20 Cb 0.40 0.37 -0.01 0.00 -0.00 0.00 0.00 29.99 30.74 1va8 n HIS 20 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1va8 n TYR 21 N -2.39 -2.21 -0.03 4.41 4.02 -1.26 -3.80 117.16 115.90 1va8 n TYR 21 Ca 0.00 1.12 0.00 0.00 -0.01 0.00 0.00 57.90 59.01 1va8 n TYR 21 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 39.34 36.76 1va8 n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1va8 n GLY 22 N 1.47 2.15 2.77 2.72 0.00 -1.26 -1.86 105.19 111.18 1va8 n GLY 22 Ca -0.10 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1va8 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va8 n GLY 23 N 0.00 5.69 1.89 -0.02 0.00 -1.26 -4.96 105.19 106.54 1va8 n GLY 23 Ca 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 46.02 43.30 1va8 n GLY 23 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1va8 n GLU 24 N 0.40 0.45 -3.97 1.61 0.28 -0.78 -5.16 120.64 113.48 1va8 n GLU 24 Ca 0.37 -1.43 -0.25 0.00 -0.16 0.00 0.00 57.16 55.69 1va8 n GLU 24 Cb 0.31 1.48 -0.17 0.00 1.43 0.00 0.00 31.44 34.49 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1va8 s THR 25 N -2.61 0.84 -0.10 3.84 -4.23 -1.26 -4.63 115.64 107.50 1va8 s THR 25 Ca 0.14 -0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1va8 s THR 25 Cb -0.01 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1va8 s THR 25 CO 0.10 0.33 -0.06 0.68 -0.54 0.00 0.00 174.62 175.13 1va8 s VAL 26 N 1.60 3.73 -0.34 2.29 -7.23 -1.26 -4.83 120.40 114.36 1va8 s VAL 26 Ca 0.02 -0.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 1va8 s VAL 26 Cb -0.13 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.27 1va8 s VAL 26 CO -0.06 0.56 0.14 -0.75 -0.31 0.00 0.00 175.10 174.69 1va8 s LYS 27 N -0.38 2.90 0.32 4.82 2.20 -0.75 -4.87 119.74 123.99 1va8 s LYS 27 Ca 0.06 -1.00 -0.10 0.00 -0.36 0.00 0.00 55.97 54.56 1va8 s LYS 27 Cb -0.12 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.57 1va8 s LYS 27 CO 0.02 -0.59 0.66 0.42 -0.36 0.00 0.00 175.35 175.50 1va8 s ILE 28 N 1.51 4.85 -0.17 5.43 1.01 -1.26 -2.53 121.20 130.04 1va8 s ILE 28 Ca 0.02 0.52 -0.05 0.00 0.00 0.00 0.00 60.65 61.14 1va8 s ILE 28 Cb -0.18 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.69 1va8 s ILE 28 CO 0.05 -0.30 0.33 0.68 0.00 0.00 0.00 174.94 175.70 1va8 s VAL 29 N -2.10 -0.52 -0.56 2.92 -7.23 0.47 -4.95 120.40 108.44 1va8 s VAL 29 Ca 0.49 0.19 -0.22 0.00 -1.81 0.00 0.00 61.98 60.63 1va8 s VAL 29 Cb -0.11 -0.58 0.05 0.00 0.56 0.00 0.00 36.38 36.31 1va8 s VAL 29 CO 0.26 0.06 0.83 -0.13 -0.31 0.00 0.00 175.10 175.81 1va8 s ARG 30 N 2.50 3.21 -0.13 4.82 0.52 -1.26 0.03 118.95 128.66 1va8 s ARG 30 Ca 0.01 -0.61 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 1va8 s ARG 30 Cb -0.12 -4.11 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 1va8 s ARG 30 CO -0.11 -1.45 0.16 0.42 0.02 0.00 0.00 175.30 174.34 1va8 s ILE 31 N 3.48 5.46 -0.49 1.52 1.01 0.46 -4.84 121.20 127.79 1va8 s ILE 31 Ca 0.23 0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.93 1va8 s ILE 31 Cb -0.16 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.92 1va8 s ILE 31 CO 0.15 0.58 0.70 -1.61 0.00 0.00 0.00 174.94 174.76 1va8 s GLU 32 N -0.76 3.22 0.26 2.79 2.02 -1.26 0.26 118.70 125.23 1va8 s GLU 32 Ca 0.14 -0.59 0.09 0.00 0.02 0.00 0.00 54.97 54.63 1va8 s GLU 32 Cb -0.12 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 1va8 s GLU 32 CO 0.04 -1.21 0.08 0.21 0.02 0.00 0.00 175.26 174.39 1va8 s LYS 33 N 2.98 2.54 0.41 1.61 2.20 -0.21 -4.90 119.74 124.36 1va8 s LYS 33 Ca 0.21 -1.28 0.07 0.00 -0.36 0.00 0.00 55.97 54.61 1va8 s LYS 33 Cb -0.16 -2.32 -0.07 0.00 -1.51 0.00 0.00 37.83 33.77 1va8 s LYS 33 CO 0.16 0.37 0.04 0.00 -0.36 0.00 0.00 175.35 175.56 1va8 s ALA 34 N -2.25 3.24 -1.94 3.13 0.00 -1.26 0.12 121.76 122.80 1va8 s ALA 34 Ca 0.32 -2.26 0.03 0.00 0.00 0.00 0.00 51.96 50.05 1va8 s ALA 34 Cb -0.07 0.06 0.10 0.00 0.00 0.00 0.00 23.12 23.20 1va8 s ALA 34 CO 0.22 -0.12 1.06 -2.13 0.00 0.00 0.00 175.76 174.78 1va8 n ARG 35 N -1.02 1.27 -0.90 0.00 0.63 -1.26 -3.09 116.66 112.30 1va8 n ARG 35 Ca -0.04 -0.39 -0.00 0.00 -0.92 0.00 0.00 57.85 56.49 1va8 n ARG 35 Cb 0.66 -1.11 -0.01 0.00 0.45 0.00 0.00 32.46 32.45 1va8 n ARG 35 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1va8 n ASP 36 N -0.17 0.05 -4.27 6.15 5.68 -1.26 -5.08 116.55 117.65 1va8 n ASP 36 Ca 0.04 -1.78 -0.33 0.00 -0.50 0.00 0.00 54.79 52.22 1va8 n ASP 36 Cb 0.11 -0.07 -0.16 0.00 -1.14 0.00 0.00 41.12 39.86 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1va8 s ILE 37 N 0.00 2.53 0.32 2.12 -1.09 -1.18 -5.11 121.20 118.80 1va8 s ILE 37 Ca 0.10 -0.83 -0.28 0.00 -2.23 0.00 0.00 60.65 57.41 1va8 s ILE 37 Cb 0.11 -2.04 -0.09 0.00 -1.58 0.00 0.00 42.46 38.86 1va8 s ILE 37 CO -0.05 0.53 1.07 -2.16 -1.23 0.00 0.00 174.94 173.11 1va8 s PRO 38 N 0.57 4.50 0.09 2.79 0.04 -1.26 -4.64 135.00 137.09 1va8 s PRO 38 Ca -0.10 1.68 -0.33 0.00 0.04 0.00 0.00 61.00 62.29 1va8 s PRO 38 Cb -0.16 -2.98 -0.15 0.00 0.04 0.00 0.00 34.50 31.25 1va8 s PRO 38 CO 0.04 0.12 1.60 1.25 0.04 0.00 0.00 177.00 180.04 1va8 h LEU 39 N 3.39 -1.05 0.15 -3.56 5.85 -1.96 -3.21 115.31 114.93 1va8 h LEU 39 Ca -0.47 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.13 1va8 h LEU 39 Cb 1.21 0.34 0.03 0.00 0.37 0.00 0.00 40.66 42.62 1va8 h LEU 39 CO 0.65 -0.56 -0.31 0.61 -0.34 0.00 0.00 178.44 178.50 1va8 n GLY 40 N -1.50 0.09 2.96 3.75 0.00 -1.26 -2.32 105.19 106.90 1va8 n GLY 40 Ca -0.11 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1va8 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va8 s ALA 41 N -2.88 -0.43 0.36 4.61 0.00 -1.26 0.21 121.76 122.37 1va8 s ALA 41 Ca 0.16 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 1va8 s ALA 41 Cb -0.07 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 1va8 s ALA 41 CO 0.20 -0.61 0.77 0.99 0.00 0.00 0.00 175.76 177.11 1va8 s THR 42 N 2.36 4.69 0.02 0.00 2.01 0.44 -4.93 115.64 120.22 1va8 s THR 42 Ca 0.02 0.89 -0.01 0.00 0.31 0.00 0.00 61.69 62.90 1va8 s THR 42 Cb -0.12 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1va8 s THR 42 CO -0.08 -0.31 -0.01 0.68 -0.69 0.00 0.00 174.62 174.21 1va8 s VAL 43 N -2.14 0.10 0.06 3.82 -7.23 -1.26 -1.05 120.40 112.71 1va8 s VAL 43 Ca 0.54 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1va8 s VAL 43 Cb -0.10 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1va8 s VAL 43 CO 0.22 -0.47 0.08 -0.13 -0.31 0.00 0.00 175.10 174.49 1va8 s ARG 44 N -1.41 2.93 -0.40 4.82 0.52 0.56 -4.63 118.95 121.35 1va8 s ARG 44 Ca -0.15 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 1va8 s ARG 44 Cb -0.09 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 32.63 1va8 s ARG 44 CO -0.01 0.58 0.28 1.21 0.02 0.00 0.00 175.30 177.39 1va8 s ASN 45 N -2.26 6.07 0.38 0.23 3.04 -1.26 -2.05 114.94 119.08 1va8 s ASN 45 Ca 0.28 -0.86 0.04 0.00 0.04 0.00 0.00 52.86 52.36 1va8 s ASN 45 Cb -0.12 -2.14 -0.01 0.00 -1.54 0.00 0.00 41.25 37.44 1va8 s ASN 45 CO 0.21 -0.42 0.55 -1.61 -3.04 0.00 0.00 177.10 172.78 1va8 s GLU 46 N 1.67 3.08 0.00 0.43 0.41 0.73 -4.95 118.70 120.07 1va8 s GLU 46 Ca 0.05 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 1va8 s GLU 46 Cb -0.19 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1va8 s GLU 46 CO 0.10 -0.08 0.00 -1.33 -0.49 0.00 0.00 175.26 173.45 1va8 n MET 47 N -1.82 0.00 -0.83 1.61 2.81 -1.26 -2.30 117.12 115.33 1va8 n MET 47 Ca 0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1va8 n MET 47 Cb 0.58 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.06 1va8 n MET 47 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1va8 n ASP 48 N -3.72 -0.33 -4.20 7.83 8.00 -1.26 -4.96 116.55 117.90 1va8 n ASP 48 Ca 0.00 -1.64 -0.16 0.00 0.71 0.00 0.00 54.79 53.69 1va8 n ASP 48 Cb 0.00 0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 41.07 1va8 n ASP 48 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1va8 s SER 49 N -0.75 1.72 -0.26 -2.24 0.01 -0.97 0.19 113.70 111.39 1va8 s SER 49 Ca 0.04 -0.79 -0.07 0.00 1.31 0.00 0.00 55.95 56.44 1va8 s SER 49 Cb 0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1va8 s SER 49 CO -0.02 -0.19 0.06 -0.69 0.41 0.00 0.00 173.24 172.82 1va8 s VAL 50 N -2.17 4.12 -0.07 3.43 1.01 -1.26 -0.19 120.40 125.27 1va8 s VAL 50 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1va8 s VAL 50 Cb -0.05 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1va8 s VAL 50 CO 0.02 0.27 -0.19 -0.63 0.00 0.00 0.00 175.10 174.57 1va8 s ILE 51 N 1.57 1.64 0.40 2.22 -1.09 -0.87 -2.04 121.20 123.02 1va8 s ILE 51 Ca 0.05 -0.80 -0.26 0.00 -2.23 0.00 0.00 60.65 57.42 1va8 s ILE 51 Cb -0.16 -1.42 -0.10 0.00 -1.58 0.00 0.00 42.46 39.20 1va8 s ILE 51 CO 0.03 0.47 1.29 -0.38 -1.23 0.00 0.00 174.94 175.11 1va8 n ILE 52 N 3.42 2.41 -0.07 2.92 2.08 -0.53 0.21 119.36 129.81 1va8 n ILE 52 Ca -0.20 -0.50 -0.14 0.00 0.56 0.00 0.00 62.75 62.47 1va8 n ILE 52 Cb 0.52 -1.60 -0.05 0.00 -0.75 0.00 0.00 39.64 37.77 1va8 n ILE 52 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1va8 n SER 53 N 0.33 1.39 -3.87 4.38 3.41 -0.21 -2.78 113.62 116.26 1va8 n SER 53 Ca 0.06 0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 1va8 n SER 53 Cb 0.39 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1va8 n SER 53 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1va8 s ARG 54 N -2.42 1.11 -0.16 4.33 3.52 -1.04 -4.79 118.95 119.50 1va8 s ARG 54 Ca -0.22 -1.03 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 1va8 s ARG 54 Cb 0.07 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 1va8 s ARG 54 CO 0.30 -0.41 -0.14 0.42 -0.81 0.00 0.00 175.30 174.65 1va8 s ILE 55 N -3.91 1.63 0.29 4.11 -1.09 -1.26 0.16 121.20 121.13 1va8 s ILE 55 Ca 0.12 -0.71 -0.18 0.00 -2.23 0.00 0.00 60.65 57.65 1va8 s ILE 55 Cb 0.03 -1.54 -0.09 0.00 -1.58 0.00 0.00 42.46 39.28 1va8 s ILE 55 CO -0.04 0.43 0.76 -0.69 -1.23 0.00 0.00 174.94 174.17 1va8 s VAL 56 N 1.46 4.59 0.39 2.92 1.01 0.56 -4.95 120.40 126.38 1va8 s VAL 56 Ca 0.04 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.94 1va8 s VAL 56 Cb -0.13 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1va8 s VAL 56 CO -0.11 -0.04 0.99 -0.75 0.00 0.00 0.00 175.10 175.19 1va8 s LYS 57 N -2.59 4.30 0.00 2.72 2.20 -1.26 -3.13 119.74 121.98 1va8 s LYS 57 Ca 0.51 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 1va8 s LYS 57 Cb -0.13 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 1va8 s LYS 57 CO 0.19 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 1va8 n GLY 58 N 0.14 2.44 3.73 5.54 0.00 -1.26 -4.99 105.19 110.78 1va8 n GLY 58 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1va8 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1va8 s GLY 59 N -1.99 2.95 0.54 -0.02 0.00 -1.19 -4.78 107.32 102.84 1va8 s GLY 59 Ca 0.00 0.61 0.49 0.00 0.00 0.00 0.00 44.72 45.82 1va8 s GLY 59 CO 0.00 1.54 1.55 0.00 0.00 0.00 0.00 173.10 176.20 1va8 n ALA 60 N 2.98 1.86 0.36 3.20 0.00 -0.98 0.11 120.51 128.05 1va8 n ALA 60 Ca 0.03 0.67 -0.15 0.00 0.00 0.00 0.00 53.44 54.00 1va8 n ALA 60 Cb 0.49 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 1va8 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va8 h ALA 61 N 1.04 -0.97 0.56 0.00 0.00 -1.84 -1.81 119.26 116.25 1va8 h ALA 61 Ca 0.93 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.61 1va8 h ALA 61 Cb 3.70 0.37 0.01 0.00 0.00 0.00 0.00 17.79 21.87 1va8 h ALA 61 CO -0.05 -0.90 -0.27 1.49 0.00 0.00 0.00 179.25 179.52 1va8 h GLU 62 N -1.25 -0.73 -0.67 0.00 4.81 0.66 0.67 114.58 118.07 1va8 h GLU 62 Ca -0.10 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1va8 h GLU 62 Cb 0.74 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.20 1va8 h GLU 62 CO 0.16 -0.48 -0.42 0.87 -0.73 0.00 0.00 179.01 178.40 1va8 h LYS 63 N -0.77 -0.03 0.00 1.92 1.57 -0.57 1.45 116.57 120.14 1va8 h LYS 63 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1va8 h LYS 63 Cb 0.58 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1va8 h LYS 63 CO 0.13 -0.02 -0.13 0.66 -0.57 0.00 0.00 179.45 179.52 1va8 h SER 64 N -0.04 0.00 -5.42 0.86 4.64 -1.25 -3.46 113.55 108.88 1va8 h SER 64 Ca 0.11 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.01 1va8 h SER 64 Cb 0.31 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.45 1va8 h SER 64 CO -0.65 0.13 -0.66 0.61 -0.87 0.00 0.00 176.83 175.39 1va8 n GLY 65 N -0.68 -0.52 0.77 -0.77 0.00 0.50 -4.85 105.19 99.63 1va8 n GLY 65 Ca -0.02 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1va8 n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1va8 n LEU 66 N -4.47 3.22 -3.74 0.99 4.77 -1.10 -4.90 117.00 111.77 1va8 n LEU 66 Ca -0.03 -2.16 -0.20 0.00 -0.03 0.00 0.00 56.01 53.59 1va8 n LEU 66 Cb 0.57 -0.31 -0.17 0.00 -2.33 0.00 0.00 43.42 41.18 1va8 n LEU 66 CO 0.60 0.75 -0.36 -0.76 -1.33 0.00 0.00 177.39 176.28 1va8 s LEU 67 N -1.30 0.58 0.09 2.23 1.43 -1.25 -4.89 118.68 115.57 1va8 s LEU 67 Ca 0.29 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1va8 s LEU 67 Cb 0.17 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 46.12 1va8 s LEU 67 CO 0.16 -0.19 -0.09 -1.00 0.23 0.00 0.00 176.35 175.47 1va8 s HIS 68 N 1.76 0.97 0.19 0.29 3.76 -1.26 -4.70 115.29 116.30 1va8 s HIS 68 Ca 0.00 -0.73 -0.32 0.00 -0.15 0.00 0.00 55.06 53.86 1va8 s HIS 68 Cb -0.13 -0.54 -0.11 0.00 1.11 0.00 0.00 32.58 32.91 1va8 s HIS 68 CO -0.03 -0.06 1.67 -1.21 -0.85 0.00 0.00 174.74 174.26 1va8 s GLU 69 N -3.08 4.16 0.00 1.40 2.02 -1.26 -2.02 118.70 119.92 1va8 s GLU 69 Ca 0.07 2.52 0.00 0.00 0.02 0.00 0.00 54.97 57.58 1va8 s GLU 69 Cb -0.00 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1va8 s GLU 69 CO -0.02 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1va8 n GLY 70 N 3.87 1.36 3.68 -1.39 0.00 -1.12 -4.84 105.19 106.75 1va8 n GLY 70 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1va8 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1va8 s ASP 71 N -1.84 6.89 -0.56 1.61 1.01 -0.86 -3.97 116.67 118.96 1va8 s ASP 71 Ca 0.00 1.97 -0.16 0.00 0.71 0.00 0.00 52.55 55.07 1va8 s ASP 71 Cb 0.00 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.52 1va8 s ASP 71 CO 0.00 -0.73 0.52 -0.70 0.21 0.00 0.00 175.17 174.46 1va8 s GLU 72 N 2.88 3.02 0.09 8.23 2.12 -0.98 -1.45 118.70 132.61 1va8 s GLU 72 Ca 0.61 -1.76 -0.30 0.00 0.36 0.00 0.00 54.97 53.88 1va8 s GLU 72 Cb -0.28 -4.30 -0.05 0.00 0.26 0.00 0.00 34.13 29.75 1va8 s GLU 72 CO 0.23 -1.33 1.04 0.54 -0.54 0.00 0.00 175.26 175.21 1va8 s VAL 73 N 1.51 4.37 -0.04 3.70 0.11 -0.87 -1.92 120.40 127.25 1va8 s VAL 73 Ca 0.04 1.85 0.03 0.00 -2.93 0.00 0.00 61.98 60.96 1va8 s VAL 73 Cb -0.29 -4.18 -0.05 0.00 -1.53 0.00 0.00 36.38 30.34 1va8 s VAL 73 CO 0.02 0.23 -0.01 0.18 -3.33 0.00 0.00 175.10 172.19 1va8 n LEU 74 N 3.23 1.01 -3.92 2.54 4.77 0.15 -4.15 117.00 120.62 1va8 n LEU 74 Ca 0.05 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1va8 n LEU 74 Cb 0.48 0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1va8 n LEU 74 CO 0.53 0.27 -0.34 -1.61 -1.33 0.00 0.00 177.39 174.90 1va8 s GLU 75 N -2.10 0.20 -0.18 3.23 2.02 -1.14 0.19 118.70 120.92 1va8 s GLU 75 Ca -0.04 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1va8 s GLU 75 Cb 0.01 0.07 0.06 0.00 0.10 0.00 0.00 34.13 34.38 1va8 s GLU 75 CO 0.15 -0.03 0.05 0.42 0.02 0.00 0.00 175.26 175.87 1va8 s ILE 76 N -0.83 0.37 -1.13 -1.63 1.01 0.52 0.64 121.20 120.15 1va8 s ILE 76 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1va8 s ILE 76 Cb -0.06 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.53 1va8 s ILE 76 CO -0.00 -0.19 0.00 0.59 0.00 0.00 0.00 174.94 175.34 1va8 n ASN 77 N 5.11 -5.73 0.00 3.58 4.13 0.31 -0.20 115.26 122.46 1va8 n ASN 77 Ca -0.08 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1va8 n ASN 77 Cb 0.48 -4.19 0.00 0.00 -1.54 0.00 0.00 39.78 34.53 1va8 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1va8 n GLY 78 N 0.29 1.32 3.74 7.41 0.00 -1.26 -4.91 105.19 111.77 1va8 n GLY 78 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1va8 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va8 s ILE 79 N -1.66 3.26 1.03 -0.61 1.09 0.72 -4.92 121.20 120.10 1va8 s ILE 79 Ca 0.00 1.02 -0.12 0.00 -1.10 0.00 0.00 60.65 60.45 1va8 s ILE 79 Cb 0.00 -3.65 0.20 0.00 -1.06 0.00 0.00 42.46 37.95 1va8 s ILE 79 CO 0.00 0.15 1.07 -0.70 -0.10 0.00 0.00 174.94 175.36 1va8 s GLU 80 N -0.02 0.20 0.00 2.79 2.12 -1.26 0.20 118.70 122.72 1va8 s GLU 80 Ca 0.57 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.70 1va8 s GLU 80 Cb -0.36 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.34 1va8 s GLU 80 CO 0.37 -2.96 0.00 -0.89 -0.54 0.00 0.00 175.26 171.24 1va8 n ILE 81 N -4.38 0.00 -1.35 -3.70 2.08 0.51 -4.61 119.36 107.91 1va8 n ILE 81 Ca 0.05 0.00 -0.58 0.00 0.56 0.00 0.00 62.75 62.78 1va8 n ILE 81 Cb 0.55 -0.60 -0.10 0.00 -0.75 0.00 0.00 39.64 38.74 1va8 n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1va8 n ARG 82 N -2.50 0.00 0.00 0.38 3.00 -1.20 0.19 116.66 116.53 1va8 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1va8 n ARG 82 Cb 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.16 1va8 n ARG 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1va8 n GLY 83 N 5.40 3.06 3.52 5.14 0.00 0.49 -4.92 105.19 117.88 1va8 n GLY 83 Ca 0.40 -0.85 -0.57 0.00 0.00 0.00 0.00 46.02 45.00 1va8 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1va8 n LYS 84 N 0.00 0.32 -2.25 1.61 5.02 0.52 -4.81 118.16 118.57 1va8 n LYS 84 Ca 0.00 0.12 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 1va8 n LYS 84 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1va8 n LYS 84 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1va8 s ASP 85 N 0.12 5.76 0.41 4.39 2.15 -1.26 -4.69 116.67 123.54 1va8 s ASP 85 Ca 0.89 2.11 0.25 0.00 0.43 0.00 0.00 52.55 56.23 1va8 s ASP 85 Cb -1.18 -2.57 1.33 0.00 -0.30 0.00 0.00 42.92 40.20 1va8 s ASP 85 CO 0.54 -1.19 1.64 1.62 -0.17 0.00 0.00 175.17 177.61 1va8 h VAL 86 N 1.11 0.18 -0.17 1.11 3.04 -1.90 1.61 116.25 121.24 1va8 h VAL 86 Ca -0.50 -0.05 -0.11 0.00 -1.01 0.00 0.00 66.70 65.04 1va8 h VAL 86 Cb 1.25 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1va8 h VAL 86 CO 0.57 0.03 -0.32 -1.13 -1.01 0.00 0.00 177.57 175.71 1va8 h ASN 87 N 0.15 0.57 -0.01 3.17 -0.73 -1.98 -2.41 115.58 114.34 1va8 h ASN 87 Ca 0.78 -0.55 0.03 0.00 1.87 0.00 0.00 56.30 58.44 1va8 h ASN 87 Cb 2.28 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 40.65 1va8 h ASN 87 CO -0.47 1.01 -0.35 -0.33 -0.37 0.00 0.00 177.43 176.93 1va8 h GLU 88 N 0.16 -0.47 -0.70 6.67 4.39 0.19 1.07 114.58 125.89 1va8 h GLU 88 Ca 0.01 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.84 1va8 h GLU 88 Cb 0.91 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.60 1va8 h GLU 88 CO 0.07 -0.32 0.33 0.28 -1.16 0.00 0.00 179.01 178.22 1va8 h VAL 89 N -0.49 0.83 0.14 3.13 2.07 -1.10 0.21 116.25 121.04 1va8 h VAL 89 Ca 0.06 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1va8 h VAL 89 Cb 0.58 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1va8 h VAL 89 CO -0.29 0.10 -0.07 -0.26 0.02 0.00 0.00 177.57 177.08 1va8 h PHE 90 N 0.56 -0.17 -0.83 1.57 0.04 -0.68 -1.05 116.94 116.38 1va8 h PHE 90 Ca 0.35 -0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.35 1va8 h PHE 90 Cb 0.38 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 1va8 h PHE 90 CO -0.12 -0.11 0.90 0.22 -0.60 0.00 0.00 178.31 178.60 1va8 h ASP 91 N -0.22 0.00 0.00 2.17 3.58 0.12 0.13 116.42 122.20 1va8 h ASP 91 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1va8 h ASP 91 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1va8 h ASP 91 CO 0.03 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.57 1va8 n LEU 92 N -3.49 0.14 -0.21 2.28 4.77 0.72 -2.55 117.00 118.67 1va8 n LEU 92 Ca 0.18 0.70 -0.05 0.00 -0.03 0.00 0.00 56.01 56.81 1va8 n LEU 92 Cb 1.17 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.82 1va8 n LEU 92 CO 0.27 -0.45 0.64 -0.07 -1.33 0.00 0.00 177.39 176.44 1va8 h LEU 93 N 0.00 -1.10 -0.95 2.23 3.38 0.22 0.10 115.31 119.19 1va8 h LEU 93 Ca 0.00 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1va8 h LEU 93 Cb 0.00 0.56 -0.13 0.00 0.09 0.00 0.00 40.66 41.18 1va8 h LEU 93 CO 0.00 -0.30 -0.49 -0.24 0.09 0.00 0.00 178.44 177.50 1va8 n SER 94 N -5.44 -0.87 -0.30 -0.43 2.88 0.29 0.19 113.62 109.95 1va8 n SER 94 Ca 0.05 1.68 -0.01 0.00 -1.33 0.00 0.00 58.87 59.26 1va8 n SER 94 Cb 0.36 -0.28 0.17 0.00 -0.75 0.00 0.00 64.21 63.71 1va8 n SER 94 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1va8 h ASP 95 N 0.00 1.02 -4.42 -3.46 5.19 -0.72 -3.43 116.42 110.60 1va8 h ASP 95 Ca 0.22 -0.03 -0.48 0.00 -0.62 0.00 0.00 57.03 56.12 1va8 h ASP 95 Cb 0.45 -0.25 0.10 0.00 0.18 0.00 0.00 39.33 39.81 1va8 h ASP 95 CO -0.91 0.74 0.38 -0.04 -3.12 0.00 0.00 179.24 176.28 1va8 s MET 96 N -5.98 2.22 0.03 3.56 -1.94 0.51 -5.09 119.30 112.61 1va8 s MET 96 Ca -0.12 0.41 -0.28 0.00 -1.71 0.00 0.00 55.69 53.99 1va8 s MET 96 Cb 0.18 -1.95 0.10 0.00 2.01 0.00 0.00 34.83 35.16 1va8 s MET 96 CO 0.80 -1.48 0.98 -3.38 -0.01 0.00 0.00 175.02 171.93 1va8 s HIS 97 N -3.34 -0.23 0.00 -0.03 -3.43 -1.26 -4.84 115.29 102.17 1va8 s HIS 97 Ca 0.60 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 1va8 s HIS 97 Cb -0.12 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 1va8 s HIS 97 CO 0.52 -0.58 0.00 0.41 -2.00 0.00 0.00 174.74 173.09 1va8 n GLY 98 N -0.32 -1.79 3.55 -1.38 0.00 0.32 -4.75 105.19 100.82 1va8 n GLY 98 Ca -0.07 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1va8 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va8 s THR 99 N 0.00 3.23 -0.13 2.61 2.01 -1.25 -1.04 115.64 121.06 1va8 s THR 99 Ca 0.00 0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1va8 s THR 99 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1va8 s THR 99 CO 0.00 -0.59 0.15 -0.76 -0.69 0.00 0.00 174.62 172.73 1va8 s LEU 100 N 10.36 4.35 -0.55 4.42 1.02 0.14 -4.86 118.68 133.56 1va8 s LEU 100 Ca 0.78 0.43 -0.20 0.00 0.02 0.00 0.00 54.13 55.17 1va8 s LEU 100 Cb -0.14 -2.09 0.07 0.00 0.02 0.00 0.00 46.19 44.05 1va8 s LEU 100 CO 0.21 0.36 0.70 -0.89 0.02 0.00 0.00 176.35 176.74 1va8 s THR 101 N -0.72 4.78 -0.31 5.49 2.01 -1.26 -0.40 115.64 125.22 1va8 s THR 101 Ca 0.14 -0.60 -0.23 0.00 0.31 0.00 0.00 61.69 61.31 1va8 s THR 101 Cb -0.12 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 67.98 1va8 s THR 101 CO 0.03 -0.98 0.77 -0.36 -0.69 0.00 0.00 174.62 173.39 1va8 s PHE 102 N 2.85 3.19 -0.68 4.92 0.40 0.11 0.11 117.98 128.88 1va8 s PHE 102 Ca 0.15 0.75 -0.12 0.00 -0.60 0.00 0.00 56.93 57.11 1va8 s PHE 102 Cb -0.20 -3.22 0.17 0.00 0.51 0.00 0.00 43.02 40.28 1va8 s PHE 102 CO 0.10 -0.58 0.59 0.08 0.70 0.00 0.00 175.22 176.12 1va8 s VAL 103 N 2.94 5.04 0.11 -0.44 1.01 0.21 -0.39 120.40 128.87 1va8 s VAL 103 Ca 0.31 -2.20 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1va8 s VAL 103 Cb -0.14 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1va8 s VAL 103 CO 0.13 -0.93 -0.08 -1.48 0.00 0.00 0.00 175.10 172.74 1va8 s LEU 104 N 0.66 2.48 -0.21 3.92 0.05 -1.05 0.35 118.68 124.87 1va8 s LEU 104 Ca 0.12 -0.94 -0.08 0.00 0.05 0.00 0.00 54.13 53.28 1va8 s LEU 104 Cb -0.19 -0.19 -0.04 0.00 -2.05 0.00 0.00 46.19 43.73 1va8 s LEU 104 CO -0.04 -0.38 0.07 -0.63 -0.55 0.00 0.00 176.35 174.83 1va8 s ILE 105 N -3.19 4.65 -0.34 1.48 1.01 -0.81 -1.81 121.20 122.20 1va8 s ILE 105 Ca 0.10 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 1va8 s ILE 105 Cb 0.02 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1va8 s ILE 105 CO -0.02 0.40 1.37 -2.16 0.00 0.00 0.00 174.94 174.53 1va8 s PRO 106 N 0.93 3.77 -1.18 2.79 0.04 -1.26 -2.31 135.00 137.77 1va8 s PRO 106 Ca 0.04 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 1va8 s PRO 106 Cb -0.14 -3.95 0.11 0.00 0.04 0.00 0.00 34.50 30.57 1va8 s PRO 106 CO 0.03 -1.31 1.51 0.45 0.04 0.00 0.00 177.00 177.72 1va8 s SER 107 N 3.36 6.86 -0.56 6.66 0.15 -1.25 -4.85 113.70 124.06 1va8 s SER 107 Ca 0.59 -2.48 -0.06 0.00 0.70 0.00 0.00 55.95 54.70 1va8 s SER 107 Cb -0.16 -2.49 -0.17 0.00 -1.71 0.00 0.00 66.02 61.49 1va8 s SER 107 CO 0.27 -1.04 2.97 -0.24 1.20 0.00 0.00 173.24 176.40 1va8 n SER 108 N 7.20 5.69 0.00 5.45 2.88 -1.26 -4.70 113.62 128.88 1va8 n SER 108 Ca 0.39 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 1va8 n SER 108 Cb 0.46 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1va8 n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va8 n GLY 109 N 3.01 -1.16 3.78 0.46 0.00 -1.26 -4.92 105.19 105.10 1va8 n GLY 109 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1va8 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va8 s PRO 110 N 0.00 0.94 -0.18 1.61 0.04 -1.26 -5.09 135.00 131.05 1va8 s PRO 110 Ca 0.00 0.21 -0.27 0.00 0.04 0.00 0.00 61.00 60.98 1va8 s PRO 110 Cb 0.00 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.79 1va8 s PRO 110 CO 0.00 -2.32 0.71 -1.54 0.04 0.00 0.00 177.00 173.89 1va8 s SER 111 N -4.09 -0.71 0.03 6.66 1.04 -1.26 -5.17 113.70 110.20 1va8 s SER 111 Ca 0.65 1.15 0.05 0.00 0.48 0.00 0.00 55.95 58.28 1va8 s SER 111 Cb -0.14 1.09 -0.03 0.00 0.10 0.00 0.00 66.02 67.04 1va8 s SER 111 CO 0.53 -0.39 -0.09 -0.44 0.98 0.00 0.00 173.24 173.83 1va8 s SER 112 N -0.25 4.42 0.00 7.02 0.01 -1.26 -5.31 113.70 118.33 1va8 s SER 112 Ca -0.04 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1va8 s SER 112 Cb -0.03 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1va8 s SER 112 CO 0.05 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.57