#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 1.68 -0.30 1.61 0.01 -1.26 -5.11 113.70 110.34 1va8 s SER 2 Ca 0.00 -0.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 1va8 s SER 2 Cb 0.00 -0.72 0.17 0.00 0.21 0.00 0.00 66.02 65.67 1va8 s SER 2 CO 0.00 -0.04 0.61 -0.55 0.41 0.00 0.00 173.24 173.67 1va8 s SER 3 N 1.05 -1.24 0.35 2.44 0.15 -1.26 -5.17 113.70 110.02 1va8 s SER 3 Ca -0.08 1.09 0.02 0.00 0.70 0.00 0.00 55.95 57.68 1va8 s SER 3 Cb -0.14 2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 66.33 1va8 s SER 3 CO -0.01 -0.25 0.42 0.61 1.20 0.00 0.00 173.24 175.22 1va8 n GLY 4 N 5.43 2.38 0.06 9.45 0.00 -1.26 -5.10 105.19 116.15 1va8 n GLY 4 Ca -0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 1va8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1va8 n SER 5 N -1.64 1.48 -2.62 1.61 7.64 -1.26 -5.08 113.62 113.75 1va8 n SER 5 Ca 0.03 0.43 -0.04 0.00 1.01 0.00 0.00 58.87 60.31 1va8 n SER 5 Cb 0.60 -0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 1va8 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1va8 n SER 6 N -4.10 -3.00 0.00 6.43 2.88 -1.26 -5.07 113.62 109.50 1va8 n SER 6 Ca -0.08 1.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1va8 n SER 6 Cb 0.30 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 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 1.90 2.04 3.24 0.46 0.00 -1.26 -5.05 105.19 106.54 1va8 n GLY 7 Ca -0.27 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1va8 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1va8 n PRO 8 N -0.49 2.28 -4.39 1.61 -0.04 -1.26 -4.91 135.00 127.81 1va8 n PRO 8 Ca 0.00 -2.54 -0.32 0.00 -0.04 0.00 0.00 63.50 60.60 1va8 n PRO 8 Cb 0.00 -3.35 -0.10 0.00 -0.04 0.00 0.00 33.50 30.01 1va8 n PRO 8 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1va8 s ILE 9 N 5.81 3.82 -0.05 0.52 1.01 -1.26 -5.05 121.20 126.00 1va8 s ILE 9 Ca 0.57 -0.73 -0.34 0.00 0.00 0.00 0.00 60.65 60.15 1va8 s ILE 9 Cb 0.08 -2.68 -0.12 0.00 0.01 0.00 0.00 42.46 39.75 1va8 s ILE 9 CO 0.06 0.38 1.85 0.35 0.00 0.00 0.00 174.94 177.58 1va8 n THR 10 N 1.47 0.52 -3.45 2.92 -2.24 -1.26 -4.92 114.28 107.31 1va8 n THR 10 Ca -0.15 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1va8 n THR 10 Cb 0.53 -1.86 -0.08 0.00 -2.10 0.00 0.00 70.33 66.82 1va8 n THR 10 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1va8 s ASP 11 N 3.69 5.99 -0.95 3.42 1.01 -1.26 -4.98 116.67 123.59 1va8 s ASP 11 Ca 0.91 -1.46 -0.01 0.00 0.71 0.00 0.00 52.55 52.70 1va8 s ASP 11 Cb -0.68 -2.12 0.30 0.00 1.01 0.00 0.00 42.92 41.43 1va8 s ASP 11 CO 0.49 -0.64 1.36 1.21 0.21 0.00 0.00 175.17 177.80 1va8 n GLU 12 N 5.11 4.17 -0.34 8.23 2.13 -1.26 -4.45 120.64 134.24 1va8 n GLU 12 Ca -0.12 -4.62 0.00 0.00 0.66 0.00 0.00 57.16 53.08 1va8 n GLU 12 Cb 0.43 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1va8 n GLU 12 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1va8 n ARG 13 N 0.91 0.00 -0.64 5.31 1.85 -1.26 -4.83 116.66 118.00 1va8 n ARG 13 Ca 0.30 -0.57 0.07 0.00 -1.00 0.00 0.00 57.85 56.65 1va8 n ARG 13 Cb 0.34 -0.34 0.32 0.00 -1.05 0.00 0.00 32.46 31.73 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1va8 n VAL 14 N 0.00 1.91 -1.43 8.89 0.31 -1.26 -4.99 118.33 121.77 1va8 n VAL 14 Ca 0.00 -1.07 -0.47 0.00 -0.01 0.00 0.00 64.34 62.79 1va8 n VAL 14 Cb 0.59 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.72 -0.26 0.00 3.52 4.02 -1.26 -4.97 117.16 118.93 1va8 n TYR 15 Ca 0.22 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 59.03 1va8 n TYR 15 Cb 0.90 -2.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.23 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 0.96 3.42 -1.51 -0.72 0.00 -1.26 -4.82 120.64 116.71 1va8 n GLU 16 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.87 1va8 n GLU 16 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.65 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1va8 n SER 17 N 0.00 2.34 -4.90 -1.84 3.41 -1.26 -4.92 113.62 106.44 1va8 n SER 17 Ca 0.00 0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.49 1va8 n SER 17 Cb 0.00 -1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 62.54 1va8 n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1va8 s ILE 18 N 8.63 5.02 -0.08 -1.33 1.01 -1.26 -5.04 121.20 128.15 1va8 s ILE 18 Ca 1.07 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 61.74 1va8 s ILE 18 Cb -0.62 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 1va8 s ILE 18 CO 0.41 -0.30 0.28 1.23 0.00 0.00 0.00 174.94 176.56 1va8 h GLY 19 N 1.77 -0.18 -7.39 6.18 0.00 -1.92 -3.39 103.07 98.14 1va8 h GLY 19 Ca -0.48 0.07 -0.80 0.00 0.00 0.00 0.00 47.33 46.12 1va8 h GLY 19 CO 0.66 -0.07 0.52 1.57 0.00 0.00 0.00 176.54 179.23 1va8 n HIS 20 N -4.88 4.53 -0.49 5.60 -0.00 -1.26 -3.15 115.22 115.56 1va8 n HIS 20 Ca -0.03 -3.60 -0.16 0.00 -0.00 0.00 0.00 57.72 53.93 1va8 n HIS 20 Cb 0.11 -1.58 0.15 0.00 -0.00 0.00 0.00 29.99 28.66 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 2.33 -2.52 -1.50 1.57 4.02 -1.23 -4.41 117.16 115.41 1va8 n TYR 21 Ca 0.24 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.90 57.77 1va8 n TYR 21 Cb 0.38 -1.36 -0.18 0.00 -0.02 0.00 0.00 39.34 38.15 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 2.46 -0.45 3.78 2.72 0.00 -1.26 -1.94 105.19 110.49 1va8 n GLY 22 Ca 0.07 0.56 -0.25 0.00 0.00 0.00 0.00 46.02 46.40 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 6.03 -1.23 0.99 -0.02 0.00 -1.26 -4.91 105.19 104.79 1va8 n GLY 23 Ca 0.65 0.57 0.00 0.00 0.00 0.00 0.00 46.02 47.24 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 -2.72 0.07 -3.93 1.61 0.28 -0.82 -5.15 120.64 109.98 1va8 n GLU 24 Ca -0.30 -0.23 -0.23 0.00 -0.16 0.00 0.00 57.16 56.24 1va8 n GLU 24 Cb 0.66 0.36 -0.17 0.00 1.43 0.00 0.00 31.44 33.72 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 -2.19 0.57 -0.12 3.84 -4.23 -1.26 -3.51 115.64 108.73 1va8 s THR 25 Ca 0.07 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1va8 s THR 25 Cb -0.00 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 1va8 s THR 25 CO 0.00 0.27 -0.06 0.68 -0.54 0.00 0.00 174.62 174.98 1va8 s VAL 26 N 1.60 3.71 -0.31 2.29 -7.23 -1.19 -4.81 120.40 114.47 1va8 s VAL 26 Ca 0.00 -0.44 -0.14 0.00 -1.81 0.00 0.00 61.98 59.59 1va8 s VAL 26 Cb -0.13 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1va8 s VAL 26 CO -0.04 0.53 0.34 -0.75 -0.31 0.00 0.00 175.10 174.87 1va8 s LYS 27 N -0.04 3.78 0.17 4.82 2.20 -0.74 -4.92 119.74 125.00 1va8 s LYS 27 Ca 0.00 -0.24 -0.10 0.00 -0.36 0.00 0.00 55.97 55.27 1va8 s LYS 27 Cb -0.13 -3.73 -0.07 0.00 -1.51 0.00 0.00 37.83 32.39 1va8 s LYS 27 CO 0.03 -0.38 0.50 0.42 -0.36 0.00 0.00 175.35 175.56 1va8 s ILE 28 N 1.99 4.97 -0.21 5.43 1.09 -1.26 -2.35 121.20 130.87 1va8 s ILE 28 Ca 0.12 0.52 -0.06 0.00 -1.10 0.00 0.00 60.65 60.13 1va8 s ILE 28 Cb -0.16 -3.66 0.10 0.00 -1.06 0.00 0.00 42.46 37.68 1va8 s ILE 28 CO 0.11 0.10 0.42 0.68 -0.10 0.00 0.00 174.94 176.14 1va8 s VAL 29 N -1.62 -0.65 -0.38 2.92 -7.23 0.04 -4.97 120.40 108.51 1va8 s VAL 29 Ca 0.41 0.14 -0.22 0.00 -1.81 0.00 0.00 61.98 60.50 1va8 s VAL 29 Cb -0.13 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.13 1va8 s VAL 29 CO 0.20 0.05 0.73 -0.13 -0.31 0.00 0.00 175.10 175.64 1va8 s ARG 30 N 2.61 3.65 -0.11 4.82 0.52 -1.26 -0.48 118.95 128.70 1va8 s ARG 30 Ca 0.00 0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.30 1va8 s ARG 30 Cb -0.12 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 1va8 s ARG 30 CO -0.13 -0.87 0.04 0.42 0.02 0.00 0.00 175.30 174.79 1va8 s ILE 31 N 2.99 4.67 -0.27 1.52 1.01 -0.11 -4.88 121.20 126.12 1va8 s ILE 31 Ca 0.28 -0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 1va8 s ILE 31 Cb -0.13 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1va8 s ILE 31 CO 0.17 0.58 0.30 -1.61 0.00 0.00 0.00 174.94 174.39 1va8 s GLU 32 N -0.68 3.99 -0.03 2.79 2.02 -1.26 -0.44 118.70 125.09 1va8 s GLU 32 Ca 0.11 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.05 1va8 s GLU 32 Cb -0.12 -3.66 -0.00 0.00 0.10 0.00 0.00 34.13 30.45 1va8 s GLU 32 CO 0.02 -0.24 -0.16 0.15 0.02 0.00 0.00 175.26 175.06 1va8 s LYS 33 N 1.95 1.53 0.95 1.61 1.02 -1.02 -4.94 119.74 120.84 1va8 s LYS 33 Ca 0.12 -0.56 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 1va8 s LYS 33 Cb -0.16 -1.38 0.16 0.00 -0.52 0.00 0.00 37.83 35.94 1va8 s LYS 33 CO 0.10 0.25 1.16 0.00 -0.92 0.00 0.00 175.35 175.94 1va8 s ALA 34 N -0.05 1.68 -0.02 5.17 0.00 -1.26 0.20 121.76 127.49 1va8 s ALA 34 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1va8 s ALA 34 Cb -0.10 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1va8 s ALA 34 CO 0.01 -2.47 1.90 -2.13 0.00 0.00 0.00 175.76 173.07 1va8 n ARG 35 N -3.89 1.04 0.00 0.00 0.63 -1.26 -3.08 116.66 110.10 1va8 n ARG 35 Ca 0.08 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1va8 n ARG 35 Cb 0.59 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.47 1va8 n ARG 35 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1va8 n ASP 36 N 1.33 0.00 -4.14 6.15 2.03 -1.26 -5.10 116.55 115.56 1va8 n ASP 36 Ca 0.02 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.02 1va8 n ASP 36 Cb 0.51 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.74 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1va8 s ILE 37 N 0.00 1.86 0.44 5.18 -1.09 -1.18 -5.12 121.20 121.30 1va8 s ILE 37 Ca 0.00 -0.87 -0.22 0.00 -2.23 0.00 0.00 60.65 57.33 1va8 s ILE 37 Cb 0.00 -1.65 -0.09 0.00 -1.58 0.00 0.00 42.46 39.15 1va8 s ILE 37 CO 0.00 0.51 1.05 -2.16 -1.23 0.00 0.00 174.94 173.11 1va8 s PRO 38 N 0.74 3.97 0.08 2.79 0.04 -1.26 -4.75 135.00 136.61 1va8 s PRO 38 Ca -0.10 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 1va8 s PRO 38 Cb -0.16 -2.31 -0.16 0.00 0.04 0.00 0.00 34.50 31.90 1va8 s PRO 38 CO 0.01 -0.29 1.66 1.25 0.04 0.00 0.00 177.00 179.67 1va8 h LEU 39 N 2.02 -0.23 -0.15 -3.56 7.12 -1.95 -2.96 115.31 115.59 1va8 h LEU 39 Ca -0.49 -0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.36 1va8 h LEU 39 Cb 1.22 0.06 0.03 0.00 -0.53 0.00 0.00 40.66 41.43 1va8 h LEU 39 CO 0.61 -0.13 -0.22 0.61 -0.13 0.00 0.00 178.44 179.18 1va8 n GLY 40 N -1.11 0.29 2.89 3.75 0.00 -1.26 -0.96 105.19 108.79 1va8 n GLY 40 Ca -0.09 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.81 -0.35 0.36 4.61 0.00 -1.26 0.70 121.76 123.01 1va8 s ALA 41 Ca 0.12 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1va8 s ALA 41 Cb -0.05 -1.00 -0.08 0.00 0.00 0.00 0.00 23.12 21.99 1va8 s ALA 41 CO 0.15 -0.72 0.74 0.99 0.00 0.00 0.00 175.76 176.92 1va8 s THR 42 N 2.35 4.74 0.04 0.00 2.01 0.38 -4.93 115.64 120.22 1va8 s THR 42 Ca 0.03 0.77 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 1va8 s THR 42 Cb -0.13 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1va8 s THR 42 CO -0.08 -0.33 0.01 0.68 -0.69 0.00 0.00 174.62 174.20 1va8 s VAL 43 N -2.15 0.17 0.18 3.82 -7.23 -1.26 -1.23 120.40 112.69 1va8 s VAL 43 Ca 0.52 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1va8 s VAL 43 Cb -0.10 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 1va8 s VAL 43 CO 0.24 -0.77 0.28 -0.13 -0.31 0.00 0.00 175.10 174.41 1va8 s ARG 44 N -3.02 3.36 -0.65 4.82 0.52 0.55 -4.76 118.95 119.77 1va8 s ARG 44 Ca -0.01 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.34 1va8 s ARG 44 Cb 0.01 -2.90 0.13 0.00 0.52 0.00 0.00 34.95 32.72 1va8 s ARG 44 CO -0.07 0.49 0.71 1.21 0.02 0.00 0.00 175.30 177.67 1va8 s ASN 45 N -3.41 6.30 0.66 0.23 3.04 -1.26 -2.62 114.94 117.88 1va8 s ASN 45 Ca 0.34 -1.73 -0.09 0.00 0.04 0.00 0.00 52.86 51.42 1va8 s ASN 45 Cb -0.10 -2.28 0.01 0.00 -1.54 0.00 0.00 41.25 37.34 1va8 s ASN 45 CO 0.28 -0.99 1.01 -1.61 -3.04 0.00 0.00 177.10 172.75 1va8 s GLU 46 N 2.15 2.87 0.04 0.43 0.41 0.10 -4.92 118.70 119.78 1va8 s GLU 46 Ca 0.13 0.25 -0.06 0.00 -0.41 0.00 0.00 54.97 54.88 1va8 s GLU 46 Cb -0.22 -2.13 -0.00 0.00 -1.78 0.00 0.00 34.13 30.00 1va8 s GLU 46 CO 0.02 -0.89 0.32 -1.33 -0.49 0.00 0.00 175.26 172.89 1va8 n MET 47 N -2.82 -0.08 -0.77 1.61 2.81 -1.26 -2.64 117.12 113.96 1va8 n MET 47 Ca 0.06 0.32 -0.01 0.00 -1.81 0.00 0.00 57.70 56.26 1va8 n MET 47 Cb 0.57 -0.47 -0.01 0.00 -0.71 0.00 0.00 33.22 32.61 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 -4.27 -0.04 -4.17 7.83 8.00 -1.26 -5.00 116.55 117.63 1va8 n ASP 48 Ca 0.01 -1.65 -0.15 0.00 0.71 0.00 0.00 54.79 53.70 1va8 n ASP 48 Cb 0.06 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.82 1.46 -0.45 -2.24 0.01 -1.08 -1.47 113.70 109.10 1va8 s SER 49 Ca 0.06 -0.74 -0.08 0.00 1.31 0.00 0.00 55.95 56.50 1va8 s SER 49 Cb 0.07 -0.00 0.11 0.00 0.21 0.00 0.00 66.02 66.40 1va8 s SER 49 CO -0.03 -0.21 0.30 -0.69 0.41 0.00 0.00 173.24 173.02 1va8 s VAL 50 N -2.06 4.00 -0.01 3.43 1.01 -1.26 0.01 120.40 125.52 1va8 s VAL 50 Ca 0.02 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.21 1va8 s VAL 50 Cb -0.05 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1va8 s VAL 50 CO 0.01 -0.71 0.09 -0.63 0.00 0.00 0.00 175.10 173.85 1va8 s ILE 51 N 1.32 4.79 0.91 2.22 1.09 -1.08 0.92 121.20 131.38 1va8 s ILE 51 Ca 0.06 -0.37 -0.11 0.00 -1.10 0.00 0.00 60.65 59.12 1va8 s ILE 51 Cb -0.25 -3.19 0.14 0.00 -1.06 0.00 0.00 42.46 38.10 1va8 s ILE 51 CO -0.01 0.36 1.11 -0.63 -0.10 0.00 0.00 174.94 175.66 1va8 s ILE 52 N -1.19 2.47 0.13 2.92 -1.09 -0.43 0.21 121.20 124.21 1va8 s ILE 52 Ca 0.23 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1va8 s ILE 52 Cb -0.12 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1va8 s ILE 52 CO 0.14 -0.20 0.00 -1.54 -1.23 0.00 0.00 174.94 172.11 1va8 n SER 53 N -4.10 -0.11 -4.12 3.58 3.41 -0.37 -3.53 113.62 108.39 1va8 n SER 53 Ca 0.09 0.22 -0.18 0.00 -0.26 0.00 0.00 58.87 58.74 1va8 n SER 53 Cb 0.53 0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.00 0.79 -0.32 4.33 3.52 -1.03 -4.85 118.95 119.39 1va8 s ARG 54 Ca 0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1va8 s ARG 54 Cb 0.00 -0.75 0.07 0.00 -1.56 0.00 0.00 34.95 32.71 1va8 s ARG 54 CO 0.00 0.18 0.03 0.42 -0.81 0.00 0.00 175.30 175.12 1va8 s ILE 55 N -0.95 2.74 0.39 4.11 -1.09 -1.26 0.14 121.20 125.29 1va8 s ILE 55 Ca -0.01 -1.76 -0.24 0.00 -2.23 0.00 0.00 60.65 56.41 1va8 s ILE 55 Cb -0.08 -2.73 -0.09 0.00 -1.58 0.00 0.00 42.46 37.97 1va8 s ILE 55 CO 0.01 -0.31 1.02 -0.69 -1.23 0.00 0.00 174.94 173.75 1va8 s VAL 56 N 1.13 3.86 0.51 2.92 1.01 0.22 -4.97 120.40 125.09 1va8 s VAL 56 Ca -0.00 1.40 -0.13 0.00 0.00 0.00 0.00 61.98 63.26 1va8 s VAL 56 Cb -0.20 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 1va8 s VAL 56 CO -0.04 -0.02 0.93 -0.75 0.00 0.00 0.00 175.10 175.22 1va8 s LYS 57 N -2.53 3.78 0.00 2.72 2.20 -1.26 -3.59 119.74 121.06 1va8 s LYS 57 Ca 0.57 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 1va8 s LYS 57 Cb -0.20 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1va8 s LYS 57 CO 0.25 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 1va8 n GLY 58 N -1.89 1.32 3.86 5.54 0.00 -1.26 -4.98 105.19 107.79 1va8 n GLY 58 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 1.90 0.55 -0.02 0.00 -1.24 -4.93 107.32 101.59 1va8 s GLY 59 Ca 0.00 -0.05 0.32 0.00 0.00 0.00 0.00 44.72 44.99 1va8 s GLY 59 CO 0.00 0.18 2.09 0.00 0.00 0.00 0.00 173.10 175.37 1va8 h ALA 60 N 0.74 1.12 0.08 3.20 0.00 -0.87 -1.80 119.26 121.73 1va8 h ALA 60 Ca -0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1va8 h ALA 60 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1va8 h ALA 60 CO 0.62 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.92 1va8 h ALA 61 N 1.93 -0.11 0.23 0.00 0.00 -1.71 -2.75 119.26 116.85 1va8 h ALA 61 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1va8 h ALA 61 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1va8 h ALA 61 CO 0.01 -0.19 -0.20 1.49 0.00 0.00 0.00 179.25 180.36 1va8 h GLU 62 N -0.86 -0.40 -0.94 0.00 4.81 -1.70 0.77 114.58 116.26 1va8 h GLU 62 Ca -0.01 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1va8 h GLU 62 Cb 0.59 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.95 1va8 h GLU 62 CO 0.02 -0.27 -0.56 1.63 -0.73 0.00 0.00 179.01 179.10 1va8 n LYS 63 N -3.51 -0.41 -0.25 1.92 5.02 -0.70 0.19 118.16 120.41 1va8 n LYS 63 Ca -0.05 1.48 0.10 0.00 -2.02 0.00 0.00 58.31 57.82 1va8 n LYS 63 Cb 0.19 -2.18 0.36 0.00 -0.02 0.00 0.00 35.03 33.38 1va8 n LYS 63 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1va8 h SER 64 N 0.00 0.68 -5.22 4.39 4.64 -1.36 -3.46 113.55 113.22 1va8 h SER 64 Ca 0.15 0.03 -0.32 0.00 -0.47 0.00 0.00 61.79 61.18 1va8 h SER 64 Cb 0.39 -0.11 0.13 0.00 -0.31 0.00 0.00 62.40 62.50 1va8 h SER 64 CO -0.89 0.37 -0.63 0.61 -0.87 0.00 0.00 176.83 175.43 1va8 n GLY 65 N -1.43 -0.32 0.00 -0.77 0.00 0.51 -4.90 105.19 98.27 1va8 n GLY 65 Ca 0.15 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.15 0.39 -4.57 0.99 4.77 -1.19 -4.95 117.00 108.29 1va8 n LEU 66 Ca -0.10 -0.40 -0.34 0.00 -0.03 0.00 0.00 56.01 55.14 1va8 n LEU 66 Cb 0.59 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1va8 n LEU 66 CO 0.55 0.10 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.64 1va8 s LEU 67 N -2.74 3.51 -0.04 2.23 2.01 -1.26 -5.01 118.68 117.39 1va8 s LEU 67 Ca 0.02 -0.01 0.02 0.00 0.01 0.00 0.00 54.13 54.16 1va8 s LEU 67 Cb 0.08 -1.86 0.01 0.00 0.01 0.00 0.00 46.19 44.43 1va8 s LEU 67 CO 0.42 0.19 -0.07 -1.00 1.01 0.00 0.00 176.35 176.91 1va8 s HIS 68 N 0.23 0.83 -0.35 0.29 3.76 -1.26 -4.88 115.29 113.90 1va8 s HIS 68 Ca 0.00 -0.22 -0.39 0.00 -0.15 0.00 0.00 55.06 54.30 1va8 s HIS 68 Cb -0.13 -0.66 -0.15 0.00 1.11 0.00 0.00 32.58 32.75 1va8 s HIS 68 CO 0.02 -0.15 1.97 0.39 -0.85 0.00 0.00 174.74 176.12 1va8 n GLU 69 N 3.67 0.90 0.00 1.40 1.02 -1.26 -0.77 120.64 125.60 1va8 n GLU 69 Ca -0.22 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1va8 n GLU 69 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 5.60 1.14 3.67 0.62 0.00 -1.23 -4.81 105.19 110.19 1va8 n GLY 70 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.33 6.74 -0.11 1.61 1.01 0.05 -3.34 116.67 121.30 1va8 s ASP 71 Ca 0.00 0.90 -0.20 0.00 0.71 0.00 0.00 52.55 53.96 1va8 s ASP 71 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1va8 s ASP 71 CO 0.00 -0.25 0.58 -0.70 0.21 0.00 0.00 175.17 175.01 1va8 s GLU 72 N 1.71 4.36 0.01 8.23 2.12 -1.09 -1.32 118.70 132.72 1va8 s GLU 72 Ca 0.30 0.63 -0.22 0.00 0.36 0.00 0.00 54.97 56.04 1va8 s GLU 72 Cb -0.16 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1va8 s GLU 72 CO 0.11 0.07 0.66 0.08 -0.54 0.00 0.00 175.26 175.65 1va8 s VAL 73 N 0.85 4.85 0.07 3.70 1.01 0.26 -2.25 120.40 128.90 1va8 s VAL 73 Ca 0.31 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.68 1va8 s VAL 73 Cb -0.16 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1va8 s VAL 73 CO 0.13 0.39 0.00 0.18 0.00 0.00 0.00 175.10 175.80 1va8 n LEU 74 N 2.80 0.28 -4.05 3.92 4.77 -0.33 -4.03 117.00 120.36 1va8 n LEU 74 Ca -0.05 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 1va8 n LEU 74 Cb 0.51 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1va8 n LEU 74 CO 0.45 -0.41 -0.43 -0.70 -1.33 0.00 0.00 177.39 174.96 1va8 s GLU 75 N -2.00 0.73 -0.27 3.23 2.12 -0.96 0.19 118.70 121.73 1va8 s GLU 75 Ca 0.00 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 1va8 s GLU 75 Cb 0.00 -0.69 0.09 0.00 0.26 0.00 0.00 34.13 33.79 1va8 s GLU 75 CO 0.00 0.18 0.10 0.42 -0.54 0.00 0.00 175.26 175.41 1va8 s ILE 76 N -0.48 0.40 -1.02 -3.70 1.01 0.50 0.15 121.20 118.05 1va8 s ILE 76 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1va8 s ILE 76 Cb -0.05 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1va8 s ILE 76 CO 0.00 -0.57 0.00 -3.20 0.00 0.00 0.00 174.94 171.17 1va8 n ASN 77 N 5.06 -4.29 0.00 3.58 2.85 0.33 -1.89 115.26 120.90 1va8 n ASN 77 Ca -0.05 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1va8 n ASN 77 Cb 0.44 -2.64 0.00 0.00 1.24 0.00 0.00 39.78 38.82 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 -1.62 2.77 3.71 8.20 0.00 -1.26 -4.85 105.19 112.14 1va8 n GLY 78 Ca -0.10 0.00 -0.42 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 -2.58 4.78 0.78 -0.61 1.09 -0.79 -4.73 121.20 119.15 1va8 s ILE 79 Ca 0.00 2.01 -0.11 0.00 -1.10 0.00 0.00 60.65 61.45 1va8 s ILE 79 Cb 0.00 -4.29 0.06 0.00 -1.06 0.00 0.00 42.46 37.17 1va8 s ILE 79 CO 0.00 0.17 1.09 -0.70 -0.10 0.00 0.00 174.94 175.39 1va8 s GLU 80 N 0.96 2.20 0.00 2.79 2.12 -1.26 0.19 118.70 125.69 1va8 s GLU 80 Ca 0.52 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.86 1va8 s GLU 80 Cb -0.22 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1va8 s GLU 80 CO 0.28 -1.64 0.00 -0.89 -0.54 0.00 0.00 175.26 172.47 1va8 n ILE 81 N -3.50 0.00 -1.67 -3.70 2.08 0.49 -4.76 119.36 108.31 1va8 n ILE 81 Ca 0.08 0.00 -0.66 0.00 0.56 0.00 0.00 62.75 62.73 1va8 n ILE 81 Cb 0.54 -0.64 -0.10 0.00 -0.75 0.00 0.00 39.64 38.69 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 -2.41 0.10 0.00 0.38 3.00 -1.23 0.20 116.66 116.68 1va8 n ARG 82 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1va8 n ARG 82 Cb 0.34 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.24 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 4.54 2.52 3.80 5.14 0.00 -0.54 -5.02 105.19 115.62 1va8 n GLY 83 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.83 1.92 -0.10 1.61 1.02 0.52 -5.03 119.74 118.84 1va8 s LYS 84 Ca 0.00 0.61 -0.10 0.00 0.02 0.00 0.00 55.97 56.50 1va8 s LYS 84 Cb 0.00 -1.90 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1va8 s LYS 84 CO 0.00 -1.73 0.23 0.34 -0.92 0.00 0.00 175.35 173.27 1va8 s ASP 85 N -3.89 6.50 0.28 2.83 2.15 -1.26 -4.85 116.67 118.43 1va8 s ASP 85 Ca 0.61 0.59 -0.07 0.00 0.43 0.00 0.00 52.55 54.12 1va8 s ASP 85 Cb -0.15 -2.13 0.50 0.00 -0.30 0.00 0.00 42.92 40.84 1va8 s ASP 85 CO 0.54 0.34 1.56 1.62 -0.17 0.00 0.00 175.17 179.07 1va8 h VAL 86 N 4.03 0.02 -0.41 1.11 3.04 -1.94 1.52 116.25 123.61 1va8 h VAL 86 Ca -0.52 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1va8 h VAL 86 Cb 1.21 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 1va8 h VAL 86 CO 0.62 0.00 0.27 -1.13 -1.01 0.00 0.00 177.57 176.32 1va8 h ASN 87 N 0.00 0.47 -0.42 3.17 -0.73 -1.95 -1.40 115.58 114.72 1va8 h ASN 87 Ca 0.49 -0.02 0.08 0.00 1.87 0.00 0.00 56.30 58.73 1va8 h ASN 87 Cb 0.81 -0.12 -0.07 0.00 0.27 0.00 0.00 38.32 39.21 1va8 h ASN 87 CO -1.00 0.34 -0.05 -0.33 -0.37 0.00 0.00 177.43 176.03 1va8 h GLU 88 N 0.55 0.05 -0.30 6.67 5.08 0.16 0.11 114.58 126.91 1va8 h GLU 88 Ca 0.15 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1va8 h GLU 88 Cb -0.06 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1va8 h GLU 88 CO -0.03 0.04 0.07 0.28 -1.00 0.00 0.00 179.01 178.37 1va8 h VAL 89 N 0.06 0.87 -0.44 3.13 2.07 -0.26 1.08 116.25 122.75 1va8 h VAL 89 Ca 0.21 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.74 1va8 h VAL 89 Cb 0.31 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1va8 h VAL 89 CO -0.39 0.03 0.30 -0.26 0.02 0.00 0.00 177.57 177.28 1va8 h PHE 90 N 0.19 0.28 0.17 1.57 0.04 -0.10 -0.66 116.94 118.43 1va8 h PHE 90 Ca 0.14 0.01 -0.31 0.00 2.80 0.00 0.00 57.97 60.60 1va8 h PHE 90 Cb 0.14 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.21 1va8 h PHE 90 CO -0.16 0.14 -1.47 0.22 -0.60 0.00 0.00 178.31 176.44 1va8 h ASP 91 N 0.27 0.57 0.28 2.17 3.58 0.89 -3.01 116.42 121.16 1va8 h ASP 91 Ca 0.20 -0.68 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 1va8 h ASP 91 Cb 0.44 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1va8 h ASP 91 CO -0.04 1.55 -0.30 -0.07 -2.88 0.00 0.00 179.24 177.50 1va8 h LEU 92 N 0.10 -0.81 -0.68 2.28 3.38 0.25 -0.56 115.31 119.27 1va8 h LEU 92 Ca -0.23 0.07 0.14 0.00 0.09 0.00 0.00 57.88 57.95 1va8 h LEU 92 Cb 2.06 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 42.98 1va8 h LEU 92 CO 0.21 -0.39 0.12 -0.07 0.09 0.00 0.00 178.44 178.41 1va8 h LEU 93 N -0.58 -0.06 -1.95 1.67 3.38 -1.36 1.45 115.31 117.86 1va8 h LEU 93 Ca -0.04 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1va8 h LEU 93 Cb 0.51 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1va8 h LEU 93 CO -0.04 -0.05 0.17 -1.28 0.09 0.00 0.00 178.44 177.33 1va8 h SER 94 N 0.23 0.00 -0.49 -0.43 0.87 -1.29 1.42 113.55 113.87 1va8 h SER 94 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1va8 h SER 94 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1va8 h SER 94 CO -0.49 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.28 1va8 n ASP 95 N -2.65 3.92 -4.06 6.23 8.00 0.49 -4.95 116.55 123.53 1va8 n ASP 95 Ca -0.02 -2.36 -0.14 0.00 0.71 0.00 0.00 54.79 52.98 1va8 n ASP 95 Cb 0.21 -0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 1va8 n ASP 95 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1va8 s MET 96 N -1.66 0.57 0.05 -1.24 -1.94 0.49 -5.04 119.30 110.52 1va8 s MET 96 Ca 0.40 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 1va8 s MET 96 Cb 0.26 -0.40 0.02 0.00 2.01 0.00 0.00 34.83 36.72 1va8 s MET 96 CO 0.20 0.08 0.31 -1.01 -0.01 0.00 0.00 175.02 174.60 1va8 s HIS 97 N -1.17 -0.12 0.00 -0.03 3.76 -1.26 -4.86 115.29 111.61 1va8 s HIS 97 Ca -0.07 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1va8 s HIS 97 Cb -0.09 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.71 1va8 s HIS 97 CO 0.01 -0.52 0.00 0.41 -0.85 0.00 0.00 174.74 173.79 1va8 n GLY 98 N 0.54 -1.72 3.56 -2.22 0.00 0.54 -4.85 105.19 101.04 1va8 n GLY 98 Ca -0.18 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.01 3.34 -0.09 2.61 2.01 -1.25 -2.45 115.64 119.79 1va8 s THR 99 Ca 0.00 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 1va8 s THR 99 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1va8 s THR 99 CO 0.00 -0.67 0.14 -0.76 -0.69 0.00 0.00 174.62 172.64 1va8 s LEU 100 N 8.97 4.31 -0.59 4.42 1.02 0.41 -4.88 118.68 132.35 1va8 s LEU 100 Ca 0.74 0.41 -0.20 0.00 0.02 0.00 0.00 54.13 55.11 1va8 s LEU 100 Cb -0.16 -2.16 0.09 0.00 0.02 0.00 0.00 46.19 43.98 1va8 s LEU 100 CO 0.24 0.38 0.75 -0.89 0.02 0.00 0.00 176.35 176.85 1va8 s THR 101 N -1.08 4.72 -0.31 5.49 2.01 -1.26 -0.93 115.64 124.27 1va8 s THR 101 Ca 0.17 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.18 1va8 s THR 101 Cb -0.12 -4.50 0.01 0.00 0.01 0.00 0.00 72.50 67.90 1va8 s THR 101 CO 0.07 -1.14 0.86 -0.36 -0.69 0.00 0.00 174.62 173.36 1va8 s PHE 102 N 2.99 3.19 -0.59 4.92 0.40 0.37 0.12 117.98 129.38 1va8 s PHE 102 Ca 0.15 0.90 -0.08 0.00 -0.60 0.00 0.00 56.93 57.30 1va8 s PHE 102 Cb -0.22 -3.34 0.15 0.00 0.51 0.00 0.00 43.02 40.12 1va8 s PHE 102 CO 0.08 -0.62 0.46 0.08 0.70 0.00 0.00 175.22 175.92 1va8 s VAL 103 N 3.13 4.29 0.07 -0.44 1.01 0.39 -0.78 120.40 128.08 1va8 s VAL 103 Ca 0.36 -2.32 0.01 0.00 0.00 0.00 0.00 61.98 60.03 1va8 s VAL 103 Cb -0.14 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1va8 s VAL 103 CO 0.13 -0.86 -0.06 -1.48 0.00 0.00 0.00 175.10 172.83 1va8 s LEU 104 N 0.65 2.42 -0.20 3.92 0.05 -0.99 -1.19 118.68 123.34 1va8 s LEU 104 Ca 0.12 -0.84 -0.07 0.00 0.05 0.00 0.00 54.13 53.38 1va8 s LEU 104 Cb -0.21 -0.05 -0.04 0.00 -2.05 0.00 0.00 46.19 43.85 1va8 s LEU 104 CO -0.03 -0.40 0.06 -0.63 -0.55 0.00 0.00 176.35 174.80 1va8 s ILE 105 N -2.90 4.66 -0.21 1.48 1.01 -0.95 -1.79 121.20 122.49 1va8 s ILE 105 Ca 0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 1va8 s ILE 105 Cb 0.00 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1va8 s ILE 105 CO -0.04 0.43 1.30 -2.16 0.00 0.00 0.00 174.94 174.47 1va8 s PRO 106 N 0.69 4.10 -0.98 2.79 0.04 -1.26 -2.68 135.00 137.70 1va8 s PRO 106 Ca 0.03 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 1va8 s PRO 106 Cb -0.13 -3.82 -0.12 0.00 0.04 0.00 0.00 34.50 30.46 1va8 s PRO 106 CO 0.02 -0.89 2.83 0.45 0.04 0.00 0.00 177.00 179.45 1va8 n SER 107 N 7.07 6.60 -3.16 6.66 2.88 -1.21 -4.54 113.62 127.92 1va8 n SER 107 Ca 0.14 -2.44 -0.15 0.00 -1.33 0.00 0.00 58.87 55.09 1va8 n SER 107 Cb 0.45 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 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 3.43 -1.64 0.00 -3.46 7.64 -1.26 -4.84 113.62 113.48 1va8 n SER 108 Ca 0.58 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1va8 n SER 108 Cb 0.37 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 -0.74 -2.55 3.65 0.23 0.00 -1.26 -4.55 105.19 99.97 1va8 n GLY 109 Ca 0.03 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 4.14 -0.04 1.61 0.04 -1.26 -5.01 135.00 134.05 1va8 s PRO 110 Ca 0.00 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1va8 s PRO 110 Cb 0.00 -3.81 0.01 0.00 0.04 0.00 0.00 34.50 30.75 1va8 s PRO 110 CO 0.00 -0.82 -0.08 -1.54 0.04 0.00 0.00 177.00 174.60 1va8 s SER 111 N 2.28 1.23 -0.17 6.66 1.04 -1.26 -5.12 113.70 118.34 1va8 s SER 111 Ca 0.56 -0.19 -0.23 0.00 0.48 0.00 0.00 55.95 56.57 1va8 s SER 111 Cb -0.21 -0.50 -0.02 0.00 0.10 0.00 0.00 66.02 65.39 1va8 s SER 111 CO 0.17 0.01 0.72 -0.44 0.98 0.00 0.00 173.24 174.68 1va8 s SER 112 N 0.60 6.83 0.00 7.02 0.01 -1.26 -5.26 113.70 121.63 1va8 s SER 112 Ca -0.10 1.01 0.20 0.00 1.31 0.00 0.00 55.95 58.37 1va8 s SER 112 Cb -0.13 -2.40 1.18 0.00 0.21 0.00 0.00 66.02 64.88 1va8 s SER 112 CO 0.01 -0.31 1.56 0.61 0.41 0.00 0.00 173.24 175.53