#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va8 s SER 2 N 0.00 -0.18 -0.14 1.61 0.01 -1.26 -5.18 113.70 108.56 1va8 s SER 2 Ca 0.00 0.09 -0.30 0.00 1.31 0.00 0.00 55.95 57.05 1va8 s SER 2 Cb 0.00 0.17 0.12 0.00 0.21 0.00 0.00 66.02 66.52 1va8 s SER 2 CO 0.00 -0.24 0.95 -0.55 0.41 0.00 0.00 173.24 173.81 1va8 s SER 3 N -1.74 -0.41 0.15 2.44 0.15 -1.26 -5.19 113.70 107.85 1va8 s SER 3 Ca 0.07 0.42 0.03 0.00 0.70 0.00 0.00 55.95 57.17 1va8 s SER 3 Cb -0.01 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1va8 s SER 3 CO -0.04 -0.39 0.11 0.61 1.20 0.00 0.00 173.24 174.72 1va8 n GLY 4 N 0.70 3.59 3.74 9.45 0.00 -1.26 -5.18 105.19 116.23 1va8 n GLY 4 Ca -0.11 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 1va8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1va8 s SER 5 N -2.02 -0.13 0.19 1.61 0.15 -1.26 -5.19 113.70 107.04 1va8 s SER 5 Ca 0.15 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.26 1va8 s SER 5 Cb 0.01 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1va8 s SER 5 CO 0.11 -0.78 0.50 -0.44 1.20 0.00 0.00 173.24 173.83 1va8 s SER 6 N -2.99 -0.25 0.00 5.45 0.01 -1.26 -5.18 113.70 109.48 1va8 s SER 6 Ca 0.14 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1va8 s SER 6 Cb -0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1va8 s SER 6 CO 0.01 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1va8 n GLY 7 N -0.32 4.47 3.55 3.44 0.00 -1.26 -5.08 105.19 109.99 1va8 n GLY 7 Ca -0.11 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 3.58 2.95 0.24 1.61 0.04 -1.26 -4.97 135.00 137.19 1va8 s PRO 8 Ca 0.00 -0.04 0.07 0.00 0.04 0.00 0.00 61.00 61.07 1va8 s PRO 8 Cb 0.00 -4.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 1va8 s PRO 8 CO 0.00 -2.52 0.18 0.42 0.04 0.00 0.00 177.00 175.13 1va8 s ILE 9 N 7.39 4.42 0.51 0.56 1.01 -1.26 -5.01 121.20 128.81 1va8 s ILE 9 Ca 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1va8 s ILE 9 Cb -0.09 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1va8 s ILE 9 CO 0.12 -0.33 0.00 0.41 0.00 0.00 0.00 174.94 175.14 1va8 n THR 10 N -1.10 -0.55 -3.77 2.92 -1.04 -1.26 -4.75 114.28 104.74 1va8 n THR 10 Ca -0.08 0.70 -0.37 0.00 -2.04 0.00 0.00 64.05 62.26 1va8 n THR 10 Cb 0.58 -1.12 -0.12 0.00 -1.82 0.00 0.00 70.33 67.85 1va8 n THR 10 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1va8 s ASP 11 N -6.88 5.26 -0.75 8.00 1.11 -1.26 -4.98 116.67 117.17 1va8 s ASP 11 Ca 0.00 -1.57 -0.05 0.00 0.18 0.00 0.00 52.55 51.12 1va8 s ASP 11 Cb 0.00 -1.84 -0.05 0.00 1.07 0.00 0.00 42.92 42.10 1va8 s ASP 11 CO 0.00 -0.43 1.95 -1.84 1.18 0.00 0.00 175.17 176.03 1va8 n GLU 12 N 4.71 1.75 -0.28 8.23 0.28 -1.26 -3.10 120.64 130.97 1va8 n GLU 12 Ca -0.09 -1.28 0.00 0.00 -0.16 0.00 0.00 57.16 55.63 1va8 n GLU 12 Cb 0.43 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 30.94 1va8 n GLU 12 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1va8 n ARG 13 N 4.25 0.00 -0.49 3.44 -4.01 -1.26 -4.83 116.66 113.76 1va8 n ARG 13 Ca 0.37 -0.51 0.07 0.00 -1.04 0.00 0.00 57.85 56.75 1va8 n ARG 13 Cb 0.13 -0.33 0.26 0.00 -3.04 0.00 0.00 32.46 29.48 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1va8 n VAL 14 N 0.00 2.33 -0.84 8.89 0.31 -1.18 -5.04 118.33 122.81 1va8 n VAL 14 Ca 0.00 -1.92 -0.34 0.00 -0.01 0.00 0.00 64.34 62.07 1va8 n VAL 14 Cb 0.57 -0.26 0.09 0.00 -0.91 0.00 0.00 33.84 33.33 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 -0.52 -1.39 -1.84 3.52 4.02 -1.26 -5.02 117.16 114.67 1va8 n TYR 15 Ca 0.23 0.43 0.00 0.00 -0.01 0.00 0.00 57.90 58.55 1va8 n TYR 15 Cb 0.92 -1.45 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 1va8 n TYR 15 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1va8 n GLU 16 N 0.49 3.20 -1.48 -0.72 0.00 -1.26 -4.96 120.64 115.91 1va8 n GLU 16 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 57.16 56.69 1va8 n GLU 16 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 32.03 1va8 n GLU 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1va8 n SER 17 N 0.00 2.13 -4.91 4.31 7.64 -1.26 -4.92 113.62 116.61 1va8 n SER 17 Ca 0.00 0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.82 1va8 n SER 17 Cb 0.00 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 1va8 n SER 17 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1va8 s ILE 18 N 8.35 5.06 0.05 0.44 1.01 -1.26 -4.94 121.20 129.90 1va8 s ILE 18 Ca 1.09 -0.06 -0.31 0.00 0.00 0.00 0.00 60.65 61.37 1va8 s ILE 18 Cb -0.72 -3.75 -0.17 0.00 0.01 0.00 0.00 42.46 37.82 1va8 s ILE 18 CO 0.44 -0.34 1.46 1.23 0.00 0.00 0.00 174.94 177.73 1va8 h GLY 19 N 1.59 -1.17 -7.53 6.18 0.00 -1.92 -3.39 103.07 96.83 1va8 h GLY 19 Ca -0.48 0.43 -0.48 0.00 0.00 0.00 0.00 47.33 46.81 1va8 h GLY 19 CO 0.66 -0.43 1.56 0.30 0.00 0.00 0.00 176.54 178.63 1va8 s HIS 20 N -5.44 1.22 -1.05 5.60 3.76 -1.26 -0.93 115.29 117.19 1va8 s HIS 20 Ca -0.16 1.34 -0.05 0.00 -0.15 0.00 0.00 55.06 56.03 1va8 s HIS 20 Cb 0.02 -3.72 0.28 0.00 1.11 0.00 0.00 32.58 30.27 1va8 s HIS 20 CO 0.49 -2.57 1.17 0.66 -0.85 0.00 0.00 174.74 173.64 1va8 n TYR 21 N 14.94 4.00 0.00 1.40 4.02 -1.09 -4.84 117.16 135.59 1va8 n TYR 21 Ca 0.33 -3.51 0.00 0.00 -0.01 0.00 0.00 57.90 54.71 1va8 n TYR 21 Cb 0.54 -1.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.46 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 2.05 2.06 1.14 2.72 0.00 -1.26 -3.90 105.19 107.99 1va8 n GLY 22 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 -0.02 0.00 -1.26 -5.11 105.19 98.80 1va8 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1va8 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1va8 n GLU 24 N -2.28 -0.52 -3.75 1.61 2.13 -1.25 -5.03 120.64 111.54 1va8 n GLU 24 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 1va8 n GLU 24 Cb 0.11 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.64 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1va8 s THR 25 N -0.86 0.05 0.12 6.31 -4.23 -1.26 -2.66 115.64 113.11 1va8 s THR 25 Ca 0.00 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1va8 s THR 25 Cb 0.00 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1va8 s THR 25 CO 0.00 0.18 0.08 0.68 -0.54 0.00 0.00 174.62 175.02 1va8 s VAL 26 N 1.79 4.35 -0.24 2.29 -7.23 -0.11 -4.77 120.40 116.48 1va8 s VAL 26 Ca 0.01 -0.98 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 1va8 s VAL 26 Cb -0.12 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1va8 s VAL 26 CO -0.03 0.02 0.09 -0.75 -0.31 0.00 0.00 175.10 174.12 1va8 s LYS 27 N -2.67 3.78 -0.13 4.82 2.20 0.22 -4.36 119.74 123.62 1va8 s LYS 27 Ca 0.29 -0.42 -0.14 0.00 -0.36 0.00 0.00 55.97 55.34 1va8 s LYS 27 Cb -0.11 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1va8 s LYS 27 CO 0.21 -0.07 0.33 0.42 -0.36 0.00 0.00 175.35 175.89 1va8 s ILE 28 N 1.31 5.26 -0.05 5.43 1.09 -1.25 -0.88 121.20 132.11 1va8 s ILE 28 Ca 0.05 0.64 -0.02 0.00 -1.10 0.00 0.00 60.65 60.22 1va8 s ILE 28 Cb -0.15 -3.66 0.03 0.00 -1.06 0.00 0.00 42.46 37.62 1va8 s ILE 28 CO 0.04 0.42 0.07 0.68 -0.10 0.00 0.00 174.94 176.06 1va8 s VAL 29 N 0.18 -0.13 -0.41 2.92 -7.23 0.16 -4.94 120.40 110.95 1va8 s VAL 29 Ca 0.19 0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 60.59 1va8 s VAL 29 Cb -0.14 -0.17 0.02 0.00 0.56 0.00 0.00 36.38 36.65 1va8 s VAL 29 CO 0.06 0.17 0.45 -0.13 -0.31 0.00 0.00 175.10 175.35 1va8 s ARG 30 N 2.13 3.17 -0.11 4.82 0.52 -1.26 0.15 118.95 128.37 1va8 s ARG 30 Ca 0.04 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 1va8 s ARG 30 Cb -0.12 -3.95 -0.04 0.00 0.52 0.00 0.00 34.95 31.36 1va8 s ARG 30 CO -0.03 -0.84 0.09 0.42 0.02 0.00 0.00 175.30 174.96 1va8 s ILE 31 N 2.21 5.10 -0.55 1.52 1.01 0.22 -4.86 121.20 125.85 1va8 s ILE 31 Ca 0.13 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1va8 s ILE 31 Cb -0.17 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.17 1va8 s ILE 31 CO 0.14 0.61 0.74 -1.61 0.00 0.00 0.00 174.94 174.82 1va8 s GLU 32 N -0.93 3.14 -0.21 2.79 2.02 -1.26 -0.25 118.70 124.00 1va8 s GLU 32 Ca 0.14 -0.86 -0.07 0.00 0.02 0.00 0.00 54.97 54.20 1va8 s GLU 32 Cb -0.12 -4.14 -0.03 0.00 0.10 0.00 0.00 34.13 29.94 1va8 s GLU 32 CO 0.03 -1.40 0.06 0.21 0.02 0.00 0.00 175.26 174.18 1va8 s LYS 33 N 3.04 3.80 -0.12 1.61 2.20 -0.73 -4.91 119.74 124.63 1va8 s LYS 33 Ca 0.18 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 55.24 1va8 s LYS 33 Cb -0.19 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 1va8 s LYS 33 CO 0.12 0.05 0.30 0.00 -0.36 0.00 0.00 175.35 175.46 1va8 s ALA 34 N 0.97 3.65 -0.87 3.13 0.00 -1.26 0.21 121.76 127.58 1va8 s ALA 34 Ca 0.04 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1va8 s ALA 34 Cb -0.14 -2.34 -0.19 0.00 0.00 0.00 0.00 23.12 20.45 1va8 s ALA 34 CO 0.03 0.25 2.14 0.54 0.00 0.00 0.00 175.76 178.72 1va8 n ARG 35 N 2.95 0.26 0.00 0.00 1.74 -1.26 0.58 116.66 120.94 1va8 n ARG 35 Ca -0.13 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 1va8 n ARG 35 Cb 0.52 -3.38 0.00 0.00 -1.02 0.00 0.00 32.46 28.59 1va8 n ARG 35 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1va8 n ASP 36 N 17.14 0.00 -4.73 0.55 8.00 -1.26 -5.13 116.55 131.12 1va8 n ASP 36 Ca 0.42 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.53 1va8 n ASP 36 Cb 0.43 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1va8 s ILE 37 N 0.00 5.09 1.00 0.53 1.01 0.20 -5.07 121.20 123.96 1va8 s ILE 37 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.66 1va8 s ILE 37 Cb 0.00 -3.91 0.19 0.00 0.01 0.00 0.00 42.46 38.76 1va8 s ILE 37 CO 0.00 0.32 1.18 -2.16 0.00 0.00 0.00 174.94 174.29 1va8 s PRO 38 N 0.50 0.37 -0.09 2.79 0.04 -1.26 -4.67 135.00 132.68 1va8 s PRO 38 Ca 0.31 -0.00 -0.06 0.00 0.04 0.00 0.00 61.00 61.28 1va8 s PRO 38 Cb -0.17 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1va8 s PRO 38 CO 0.14 -2.66 0.21 1.25 0.04 0.00 0.00 177.00 175.98 1va8 h LEU 39 N -1.83 -0.07 0.67 -3.56 5.85 -1.96 -3.26 115.31 111.16 1va8 h LEU 39 Ca -0.47 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 57.98 1va8 h LEU 39 Cb 1.29 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1va8 h LEU 39 CO 0.48 0.48 -0.19 0.61 -0.34 0.00 0.00 178.44 179.48 1va8 n GLY 40 N 1.52 0.14 2.95 3.75 0.00 -1.26 -0.75 105.19 111.54 1va8 n GLY 40 Ca -0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.48 -0.48 0.33 4.61 0.00 -1.26 0.19 121.76 122.67 1va8 s ALA 41 Ca 0.03 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1va8 s ALA 41 Cb -0.02 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 1va8 s ALA 41 CO 0.04 -0.72 0.75 0.99 0.00 0.00 0.00 175.76 176.83 1va8 s THR 42 N 2.39 4.66 -0.05 0.00 2.01 0.34 -4.94 115.64 120.05 1va8 s THR 42 Ca 0.03 0.98 -0.04 0.00 0.31 0.00 0.00 61.69 62.96 1va8 s THR 42 Cb -0.13 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1va8 s THR 42 CO -0.09 -0.21 0.14 0.68 -0.69 0.00 0.00 174.62 174.45 1va8 s VAL 43 N -2.01 -0.01 0.01 3.82 -7.23 -1.26 -1.17 120.40 112.54 1va8 s VAL 43 Ca 0.55 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.75 1va8 s VAL 43 Cb -0.10 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1va8 s VAL 43 CO 0.17 0.01 0.06 0.00 -0.31 0.00 0.00 175.10 175.04 1va8 s ARG 44 N 0.23 2.97 -0.51 4.82 1.70 0.57 -4.71 118.95 124.03 1va8 s ARG 44 Ca -0.01 -0.55 -0.18 0.00 -0.47 0.00 0.00 55.73 54.52 1va8 s ARG 44 Cb -0.02 -2.79 0.06 0.00 -0.57 0.00 0.00 34.95 31.62 1va8 s ARG 44 CO -0.01 0.63 0.59 -0.80 -1.08 0.00 0.00 175.30 174.63 1va8 s ASN 45 N -1.80 6.21 0.84 -2.89 0.02 -1.26 0.11 114.94 116.16 1va8 s ASN 45 Ca 0.23 -1.03 -0.13 0.00 -1.02 0.00 0.00 52.86 50.92 1va8 s ASN 45 Cb -0.12 -2.27 0.11 0.00 0.02 0.00 0.00 41.25 38.98 1va8 s ASN 45 CO 0.14 -0.87 1.20 -1.61 0.02 0.00 0.00 177.10 175.99 1va8 s GLU 46 N 2.46 1.67 0.00 -0.60 0.41 0.73 -4.85 118.70 118.51 1va8 s GLU 46 Ca 0.13 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 1va8 s GLU 46 Cb -0.20 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1va8 s GLU 46 CO 0.11 -1.79 0.00 -1.33 -0.49 0.00 0.00 175.26 171.76 1va8 n MET 47 N -3.43 0.00 -0.49 1.61 2.81 -1.26 -1.40 117.12 114.96 1va8 n MET 47 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1va8 n MET 47 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 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 -1.84 0.00 -3.93 7.83 8.00 -1.26 -5.02 116.55 120.32 1va8 n ASP 48 Ca 0.00 -1.50 -0.19 0.00 0.71 0.00 0.00 54.79 53.81 1va8 n ASP 48 Cb 0.00 -0.10 -0.16 0.00 -0.02 0.00 0.00 41.12 40.84 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 -0.50 0.87 -0.35 -2.24 0.01 -0.49 -1.99 113.70 109.00 1va8 s SER 49 Ca 0.00 -0.13 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 1va8 s SER 49 Cb 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1va8 s SER 49 CO 0.00 0.00 0.72 0.54 0.41 0.00 0.00 173.24 174.91 1va8 s VAL 50 N 0.47 4.81 0.09 3.43 0.11 -1.26 0.26 120.40 128.31 1va8 s VAL 50 Ca -0.06 0.80 0.09 0.00 -2.93 0.00 0.00 61.98 59.87 1va8 s VAL 50 Cb -0.10 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1va8 s VAL 50 CO 0.00 -0.36 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.59 1va8 s ILE 51 N 2.91 2.70 0.41 7.04 1.09 0.29 0.56 121.20 136.21 1va8 s ILE 51 Ca 0.28 -1.42 -0.26 0.00 -1.10 0.00 0.00 60.65 58.16 1va8 s ILE 51 Cb -0.14 -2.19 -0.10 0.00 -1.06 0.00 0.00 42.46 38.98 1va8 s ILE 51 CO 0.15 0.20 1.37 -0.38 -0.10 0.00 0.00 174.94 176.19 1va8 n ILE 52 N 1.14 2.46 -0.06 2.92 2.08 -0.07 0.21 119.36 128.04 1va8 n ILE 52 Ca -0.16 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.54 1va8 n ILE 52 Cb 0.52 -1.74 -0.04 0.00 -0.75 0.00 0.00 39.64 37.63 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 0.19 1.31 -3.79 4.38 3.41 -0.32 -2.92 113.62 115.88 1va8 n SER 53 Ca 0.05 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 1va8 n SER 53 Cb 0.40 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.21 1.03 -0.13 4.33 3.52 -0.97 -4.93 118.95 119.60 1va8 s ARG 54 Ca -0.15 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.54 1va8 s ARG 54 Cb 0.06 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 1va8 s ARG 54 CO 0.21 -0.38 -0.11 0.42 -0.81 0.00 0.00 175.30 174.63 1va8 s ILE 55 N -3.86 1.28 0.26 4.11 -1.09 -1.26 0.13 121.20 120.76 1va8 s ILE 55 Ca 0.07 -0.46 -0.10 0.00 -2.23 0.00 0.00 60.65 57.94 1va8 s ILE 55 Cb 0.03 -1.24 -0.07 0.00 -1.58 0.00 0.00 42.46 39.60 1va8 s ILE 55 CO -0.08 0.41 0.58 -0.69 -1.23 0.00 0.00 174.94 173.93 1va8 s VAL 56 N 1.53 4.91 0.46 2.92 1.01 0.51 -4.95 120.40 126.78 1va8 s VAL 56 Ca 0.03 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 1va8 s VAL 56 Cb -0.13 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1va8 s VAL 56 CO -0.08 -0.14 1.02 -0.75 0.00 0.00 0.00 175.10 175.15 1va8 s LYS 57 N -2.98 3.98 0.00 2.72 2.47 -1.26 -3.01 119.74 121.65 1va8 s LYS 57 Ca 0.48 1.33 0.00 0.00 -1.56 0.00 0.00 55.97 56.22 1va8 s LYS 57 Cb -0.11 -2.20 0.00 0.00 -1.46 0.00 0.00 37.83 34.06 1va8 s LYS 57 CO 0.22 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.87 1va8 n GLY 58 N -0.22 0.88 3.72 5.54 0.00 -1.26 -4.96 105.19 108.88 1va8 n GLY 58 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.91 0.39 -0.02 0.00 -1.16 -4.81 107.32 102.63 1va8 s GLY 59 Ca 0.00 0.51 0.25 0.00 0.00 0.00 0.00 44.72 45.47 1va8 s GLY 59 CO 0.00 1.55 1.59 0.00 0.00 0.00 0.00 173.10 176.23 1va8 h ALA 60 N 6.35 2.39 0.40 3.20 0.00 -0.98 1.28 119.26 131.89 1va8 h ALA 60 Ca -0.42 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1va8 h ALA 60 Cb 1.21 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1va8 h ALA 60 CO 0.74 -1.13 -0.19 0.00 0.00 0.00 0.00 179.25 178.66 1va8 h ALA 61 N 1.85 -0.54 0.79 0.00 0.00 -1.84 -0.74 119.26 118.78 1va8 h ALA 61 Ca 0.85 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.58 1va8 h ALA 61 Cb 2.41 0.21 0.01 0.00 0.00 0.00 0.00 17.79 20.42 1va8 h ALA 61 CO -0.65 -0.75 -0.38 1.49 0.00 0.00 0.00 179.25 178.96 1va8 h GLU 62 N -0.63 -1.02 -0.38 0.00 4.81 0.11 0.60 114.58 118.06 1va8 h GLU 62 Ca -0.05 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1va8 h GLU 62 Cb 0.47 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1va8 h GLU 62 CO 0.09 -0.67 -0.27 0.87 -0.73 0.00 0.00 179.01 178.30 1va8 h LYS 63 N -1.12 -0.05 -0.03 1.92 1.57 -0.01 1.11 116.57 119.96 1va8 h LYS 63 Ca -0.11 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1va8 h LYS 63 Cb 0.82 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1va8 h LYS 63 CO 0.18 -0.04 0.03 0.66 -0.57 0.00 0.00 179.45 179.71 1va8 h SER 64 N -0.06 0.00 -5.92 0.86 4.64 -1.13 -3.46 113.55 108.49 1va8 h SER 64 Ca 0.06 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.98 1va8 h SER 64 Cb 0.22 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.41 1va8 h SER 64 CO -0.39 0.00 -0.73 0.61 -0.87 0.00 0.00 176.83 175.45 1va8 n GLY 65 N -1.43 -0.47 0.00 -0.77 0.00 0.38 -4.88 105.19 98.03 1va8 n GLY 65 Ca -0.02 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.69 0.37 -4.61 0.99 4.77 -1.07 -4.92 117.00 107.84 1va8 n LEU 66 Ca -0.08 -0.24 -0.34 0.00 -0.03 0.00 0.00 56.01 55.32 1va8 n LEU 66 Cb 0.59 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1va8 n LEU 66 CO 0.67 0.09 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.77 1va8 s LEU 67 N -3.49 3.63 -0.02 2.23 2.01 -1.25 -4.99 118.68 116.79 1va8 s LEU 67 Ca -0.00 0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.20 1va8 s LEU 67 Cb 0.11 -1.89 0.00 0.00 0.01 0.00 0.00 46.19 44.43 1va8 s LEU 67 CO 0.68 0.22 -0.07 -1.00 1.01 0.00 0.00 176.35 177.18 1va8 s HIS 68 N 0.11 0.79 -0.18 0.29 3.76 -1.26 -4.81 115.29 113.99 1va8 s HIS 68 Ca 0.03 -0.18 -0.39 0.00 -0.15 0.00 0.00 55.06 54.37 1va8 s HIS 68 Cb -0.13 -0.57 -0.15 0.00 1.11 0.00 0.00 32.58 32.84 1va8 s HIS 68 CO 0.01 -0.08 1.69 0.39 -0.85 0.00 0.00 174.74 175.91 1va8 n GLU 69 N 3.27 1.32 0.00 1.40 1.02 -1.26 -0.51 120.64 125.88 1va8 n GLU 69 Ca -0.18 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1va8 n GLU 69 Cb 0.55 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1va8 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1va8 n GLY 70 N 3.93 0.66 3.68 0.62 0.00 -1.15 -4.86 105.19 108.08 1va8 n GLY 70 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.94 7.20 -0.09 1.61 1.01 0.33 -3.95 116.67 120.85 1va8 s ASP 71 Ca 0.00 1.56 -0.19 0.00 0.71 0.00 0.00 52.55 54.64 1va8 s ASP 71 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1va8 s ASP 71 CO 0.00 -0.49 0.51 -0.70 0.21 0.00 0.00 175.17 174.70 1va8 s GLU 72 N 2.14 4.32 -0.13 8.23 2.12 -1.08 -0.89 118.70 133.40 1va8 s GLU 72 Ca 0.49 0.52 -0.07 0.00 0.36 0.00 0.00 54.97 56.27 1va8 s GLU 72 Cb -0.19 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1va8 s GLU 72 CO 0.18 0.21 0.14 0.08 -0.54 0.00 0.00 175.26 175.32 1va8 s VAL 73 N 0.43 5.49 0.00 3.70 1.01 0.19 -1.85 120.40 129.38 1va8 s VAL 73 Ca 0.28 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1va8 s VAL 73 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1va8 s VAL 73 CO 0.12 0.59 0.00 0.18 0.00 0.00 0.00 175.10 175.99 1va8 n LEU 74 N 2.23 1.31 -3.80 3.92 4.77 -0.98 -3.56 117.00 120.88 1va8 n LEU 74 Ca -0.19 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 1va8 n LEU 74 Cb 0.55 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 1va8 n LEU 74 CO 0.32 0.16 -0.26 -1.61 -1.33 0.00 0.00 177.39 174.67 1va8 s GLU 75 N -1.80 0.09 -0.32 3.23 2.02 -1.21 0.12 118.70 120.83 1va8 s GLU 75 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.23 1va8 s GLU 75 Cb 0.00 -0.05 0.09 0.00 0.10 0.00 0.00 34.13 34.27 1va8 s GLU 75 CO 0.00 -0.08 0.03 0.42 0.02 0.00 0.00 175.26 175.65 1va8 s ILE 76 N 0.50 1.97 0.00 -1.63 1.01 -0.66 -0.80 121.20 121.58 1va8 s ILE 76 Ca -0.04 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.61 1va8 s ILE 76 Cb -0.05 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1va8 s ILE 76 CO -0.02 -0.50 0.00 -3.20 0.00 0.00 0.00 174.94 171.22 1va8 n ASN 77 N 4.41 0.00 0.00 3.58 2.85 0.51 -3.25 115.26 123.37 1va8 n ASN 77 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1va8 n ASN 77 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1va8 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1va8 n GLY 78 N 0.00 0.28 3.78 8.20 0.00 -1.26 -4.76 105.19 111.42 1va8 n GLY 78 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.75 0.78 -0.61 1.09 -1.20 -4.99 121.20 120.02 1va8 s ILE 79 Ca 0.00 1.43 -0.13 0.00 -1.10 0.00 0.00 60.65 60.85 1va8 s ILE 79 Cb 0.00 -3.78 0.07 0.00 -1.06 0.00 0.00 42.46 37.69 1va8 s ILE 79 CO 0.00 0.09 1.19 -0.70 -0.10 0.00 0.00 174.94 175.43 1va8 s GLU 80 N -2.23 1.82 0.15 2.79 2.12 -1.26 -1.66 118.70 120.43 1va8 s GLU 80 Ca 0.54 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.57 1va8 s GLU 80 Cb -0.23 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1va8 s GLU 80 CO 0.29 -2.06 0.00 -0.89 -0.54 0.00 0.00 175.26 172.06 1va8 n ILE 81 N -3.16 0.20 -1.71 -3.70 2.08 0.31 -4.73 119.36 108.66 1va8 n ILE 81 Ca 0.13 0.07 -0.63 0.00 0.56 0.00 0.00 62.75 62.87 1va8 n ILE 81 Cb 0.51 -0.78 -0.09 0.00 -0.75 0.00 0.00 39.64 38.53 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 -3.16 0.39 0.00 0.38 0.63 -1.06 0.12 116.66 113.96 1va8 n ARG 82 Ca 0.00 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1va8 n ARG 82 Cb 0.05 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.26 1va8 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1va8 n GLY 83 N 3.73 2.62 3.72 5.14 0.00 -0.84 -4.98 105.19 114.58 1va8 n GLY 83 Ca 0.28 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1va8 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va8 s LYS 84 N 0.00 1.63 0.49 1.61 1.02 0.32 -4.99 119.74 119.82 1va8 s LYS 84 Ca 0.00 1.44 -0.08 0.00 0.02 0.00 0.00 55.97 57.35 1va8 s LYS 84 Cb 0.00 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1va8 s LYS 84 CO 0.00 -2.16 0.83 0.34 -0.92 0.00 0.00 175.35 173.44 1va8 s ASP 85 N -2.85 6.32 0.19 2.83 2.15 -1.26 -4.83 116.67 119.22 1va8 s ASP 85 Ca 0.66 1.07 -0.12 0.00 0.43 0.00 0.00 52.55 54.59 1va8 s ASP 85 Cb -0.21 -2.31 0.22 0.00 -0.30 0.00 0.00 42.92 40.32 1va8 s ASP 85 CO 0.55 -0.59 1.72 -0.37 -0.17 0.00 0.00 175.17 176.31 1va8 h VAL 86 N 0.32 0.72 -0.48 1.11 -1.51 -1.95 0.70 116.25 115.16 1va8 h VAL 86 Ca -0.46 -0.09 0.03 0.00 -1.23 0.00 0.00 66.70 64.94 1va8 h VAL 86 Cb 1.20 0.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.75 1va8 h VAL 86 CO 0.62 0.05 0.28 -1.13 -1.23 0.00 0.00 177.57 176.16 1va8 h ASN 87 N 0.27 0.44 0.31 4.19 -0.73 -1.95 0.21 115.58 118.31 1va8 h ASN 87 Ca 0.27 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.43 1va8 h ASN 87 Cb 0.36 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1va8 h ASN 87 CO -0.33 0.31 -0.15 -0.33 -0.37 0.00 0.00 177.43 176.56 1va8 h GLU 88 N 0.55 -0.40 -0.89 6.67 4.39 -1.45 1.03 114.58 124.49 1va8 h GLU 88 Ca 0.20 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.07 1va8 h GLU 88 Cb 0.04 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 1va8 h GLU 88 CO -0.10 -0.21 0.57 0.28 -1.16 0.00 0.00 179.01 178.39 1va8 h VAL 89 N -0.50 0.83 0.08 3.13 2.07 0.63 0.15 116.25 122.64 1va8 h VAL 89 Ca -0.04 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1va8 h VAL 89 Cb 0.37 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1va8 h VAL 89 CO 0.07 0.13 -0.04 -0.26 0.02 0.00 0.00 177.57 177.49 1va8 h PHE 90 N 0.69 -0.09 -1.72 1.57 0.04 -0.07 -3.22 116.94 114.12 1va8 h PHE 90 Ca 0.45 -0.00 0.50 0.00 2.80 0.00 0.00 57.97 61.71 1va8 h PHE 90 Cb 0.72 0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.83 1va8 h PHE 90 CO -0.00 -0.06 1.28 0.22 -0.60 0.00 0.00 178.31 179.15 1va8 h ASP 91 N -0.31 0.00 0.25 2.17 1.82 0.12 0.24 116.42 120.71 1va8 h ASP 91 Ca -0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1va8 h ASP 91 Cb 0.08 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.09 1va8 h ASP 91 CO 0.02 0.00 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.41 1va8 h LEU 92 N 0.00 -0.43 -0.72 2.28 3.38 -0.74 -2.21 115.31 116.87 1va8 h LEU 92 Ca 0.82 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.97 1va8 h LEU 92 Cb 3.36 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 44.13 1va8 h LEU 92 CO -0.01 -0.25 0.16 -0.07 0.09 0.00 0.00 178.44 178.36 1va8 h LEU 93 N -0.40 -0.01 -0.94 1.67 3.38 -0.57 -0.27 115.31 118.16 1va8 h LEU 93 Ca -0.03 0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1va8 h LEU 93 Cb 0.32 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.13 1va8 h LEU 93 CO 0.03 -0.04 -0.46 -1.28 0.09 0.00 0.00 178.44 176.77 1va8 h SER 94 N 0.26 -1.68 -0.73 -0.43 0.87 -1.07 0.82 113.55 111.59 1va8 h SER 94 Ca 0.40 0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 61.21 1va8 h SER 94 Cb 0.68 0.81 -0.03 0.00 -0.44 0.00 0.00 62.40 63.42 1va8 h SER 94 CO -0.51 -0.28 0.22 -0.78 -0.53 0.00 0.00 176.83 174.95 1va8 h ASP 95 N -0.03 1.07 -4.02 6.23 1.82 -0.49 -3.44 116.42 117.57 1va8 h ASP 95 Ca 0.26 -0.21 -0.44 0.00 -0.39 0.00 0.00 57.03 56.25 1va8 h ASP 95 Cb 0.53 -0.28 0.16 0.00 0.68 0.00 0.00 39.33 40.42 1va8 h ASP 95 CO -0.93 1.01 0.36 -0.04 -1.61 0.00 0.00 179.24 178.02 1va8 s MET 96 N -5.39 0.49 -0.05 0.28 -1.94 0.29 -5.09 119.30 107.89 1va8 s MET 96 Ca -0.12 -0.22 -0.30 0.00 -1.71 0.00 0.00 55.69 53.33 1va8 s MET 96 Cb 0.15 -1.81 0.11 0.00 2.01 0.00 0.00 34.83 35.28 1va8 s MET 96 CO 0.84 -2.54 1.34 -3.38 -0.01 0.00 0.00 175.02 171.27 1va8 s HIS 97 N -3.64 0.01 0.00 -0.03 -3.43 -1.25 -4.84 115.29 102.11 1va8 s HIS 97 Ca 0.71 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.90 1va8 s HIS 97 Cb -0.07 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 1va8 s HIS 97 CO 0.53 -0.15 0.00 0.41 -2.00 0.00 0.00 174.74 173.53 1va8 n GLY 98 N -0.83 -1.47 3.55 -1.38 0.00 0.56 -4.58 105.19 101.04 1va8 n GLY 98 Ca 0.01 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 3.22 -0.14 2.61 2.01 -1.25 -1.78 115.64 120.30 1va8 s THR 99 Ca 0.00 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1va8 s THR 99 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1va8 s THR 99 CO 0.00 -0.53 0.21 -0.76 -0.69 0.00 0.00 174.62 172.85 1va8 s LEU 100 N 10.84 4.30 -0.40 4.42 1.02 0.66 -4.86 118.68 134.66 1va8 s LEU 100 Ca 0.80 0.46 -0.22 0.00 0.02 0.00 0.00 54.13 55.19 1va8 s LEU 100 Cb -0.13 -2.22 0.01 0.00 0.02 0.00 0.00 46.19 43.87 1va8 s LEU 100 CO 0.18 0.24 0.72 -0.89 0.02 0.00 0.00 176.35 176.62 1va8 s THR 101 N -0.17 4.77 -0.25 5.49 2.01 -1.26 -0.61 115.64 125.62 1va8 s THR 101 Ca 0.14 0.56 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 1va8 s THR 101 Cb -0.12 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1va8 s THR 101 CO 0.03 -0.50 0.38 -0.36 -0.69 0.00 0.00 174.62 173.49 1va8 s PHE 102 N 2.99 3.28 -0.58 4.92 0.40 0.39 0.19 117.98 129.58 1va8 s PHE 102 Ca 0.28 0.47 -0.07 0.00 -0.60 0.00 0.00 56.93 57.01 1va8 s PHE 102 Cb -0.13 -2.56 0.15 0.00 0.51 0.00 0.00 43.02 40.98 1va8 s PHE 102 CO 0.18 -0.17 0.44 0.08 0.70 0.00 0.00 175.22 176.45 1va8 s VAL 103 N 1.87 4.23 0.08 -0.44 1.01 0.02 0.40 120.40 127.56 1va8 s VAL 103 Ca 0.16 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.83 1va8 s VAL 103 Cb -0.15 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1va8 s VAL 103 CO 0.09 -0.85 -0.06 -1.48 0.00 0.00 0.00 175.10 172.80 1va8 s LEU 104 N 0.64 2.45 -0.20 3.92 0.05 -0.06 -2.31 118.68 123.18 1va8 s LEU 104 Ca 0.12 -0.90 -0.08 0.00 0.05 0.00 0.00 54.13 53.32 1va8 s LEU 104 Cb -0.21 -0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 43.85 1va8 s LEU 104 CO -0.03 -0.43 0.08 -0.63 -0.55 0.00 0.00 176.35 174.79 1va8 s ILE 105 N -3.18 4.92 -0.20 1.48 1.01 -0.77 0.72 121.20 125.19 1va8 s ILE 105 Ca 0.06 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1va8 s ILE 105 Cb 0.02 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 1va8 s ILE 105 CO -0.05 0.43 1.29 -2.16 0.00 0.00 0.00 174.94 174.46 1va8 s PRO 106 N 0.54 4.14 -1.27 2.79 0.04 -1.26 -2.64 135.00 137.35 1va8 s PRO 106 Ca 0.04 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 1va8 s PRO 106 Cb -0.12 -3.81 0.11 0.00 0.04 0.00 0.00 34.50 30.72 1va8 s PRO 106 CO 0.01 -0.83 1.62 0.45 0.04 0.00 0.00 177.00 178.29 1va8 n SER 107 N 6.92 5.04 -2.62 6.66 2.88 -1.25 -4.84 113.62 126.41 1va8 n SER 107 Ca 0.14 -2.95 -0.25 0.00 -1.33 0.00 0.00 58.87 54.49 1va8 n SER 107 Cb 0.45 -1.67 -0.10 0.00 -0.75 0.00 0.00 64.21 62.14 1va8 n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1va8 n SER 108 N 7.08 6.92 0.00 -3.46 7.64 -1.26 -4.43 113.62 126.11 1va8 n SER 108 Ca 0.44 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.79 1va8 n SER 108 Cb 0.44 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1va8 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va8 n GLY 109 N 3.00 2.44 3.59 0.23 0.00 -1.26 -5.06 105.19 108.14 1va8 n GLY 109 Ca 0.60 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.84 3.44 0.03 1.61 0.04 -1.26 -4.93 135.00 133.09 1va8 s PRO 110 Ca 0.00 0.78 -0.38 0.00 0.04 0.00 0.00 61.00 61.43 1va8 s PRO 110 Cb 0.00 -4.08 -0.19 0.00 0.04 0.00 0.00 34.50 30.27 1va8 s PRO 110 CO 0.00 -1.75 1.10 0.45 0.04 0.00 0.00 177.00 176.84 1va8 n SER 111 N 9.28 0.31 -4.83 6.66 2.88 -1.26 -4.90 113.62 121.75 1va8 n SER 111 Ca 0.15 1.15 -0.38 0.00 -1.33 0.00 0.00 58.87 58.46 1va8 n SER 111 Cb 0.49 -0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 62.90 1va8 n SER 111 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1va8 s SER 112 N 0.05 6.83 0.00 -3.46 0.01 -1.26 -5.29 113.70 110.58 1va8 s SER 112 Ca 0.88 0.99 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1va8 s SER 112 Cb -1.17 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 62.79 1va8 s SER 112 CO 0.55 0.32 0.00 0.61 0.41 0.00 0.00 173.24 175.12