#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 -0.26 -1.07 1.61 0.15 -1.26 -5.08 113.70 107.79 1va8 s SER 2 Ca 0.00 0.15 -0.22 0.00 0.70 0.00 0.00 55.95 56.57 1va8 s SER 2 Cb 0.00 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.66 1va8 s SER 2 CO 0.00 -0.50 1.77 -0.44 1.20 0.00 0.00 173.24 175.26 1va8 s SER 3 N -1.42 5.82 0.02 5.45 0.01 -1.26 -3.59 113.70 118.73 1va8 s SER 3 Ca -0.12 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.69 1va8 s SER 3 Cb -0.04 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1va8 s SER 3 CO 0.04 -2.17 0.00 0.61 0.41 0.00 0.00 173.24 172.12 1va8 n GLY 4 N 6.35 -1.48 3.15 3.44 0.00 -1.26 -5.11 105.19 110.28 1va8 n GLY 4 Ca 0.41 0.62 0.04 0.00 0.00 0.00 0.00 46.02 47.09 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 -1.96 -1.10 0.06 1.61 0.15 -1.24 -5.06 113.70 106.16 1va8 s SER 5 Ca 0.00 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1va8 s SER 5 Cb 0.00 1.92 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 1va8 s SER 5 CO 0.00 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 173.99 1va8 n SER 6 N 5.44 0.21 0.00 5.45 2.88 -1.26 -4.76 113.62 121.59 1va8 n SER 6 Ca -0.03 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1va8 n SER 6 Cb 0.52 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 2.74 2.13 3.56 0.46 0.00 -1.26 -5.06 105.19 107.76 1va8 n GLY 7 Ca 0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 3.03 0.79 1.61 0.04 -1.26 -4.98 135.00 132.23 1va8 s PRO 8 Ca 0.00 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.22 1va8 s PRO 8 Cb 0.00 -4.24 0.07 0.00 0.04 0.00 0.00 34.50 30.38 1va8 s PRO 8 CO 0.00 -2.28 1.17 0.42 0.04 0.00 0.00 177.00 176.35 1va8 s ILE 9 N 7.02 2.39 0.13 0.56 1.01 -1.26 -5.04 121.20 126.01 1va8 s ILE 9 Ca 0.53 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.22 1va8 s ILE 9 Cb -0.11 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1va8 s ILE 9 CO 0.20 -0.13 0.31 -0.89 0.00 0.00 0.00 174.94 174.44 1va8 s THR 10 N -2.33 0.09 -0.74 2.92 2.01 -1.26 -5.10 115.64 111.22 1va8 s THR 10 Ca 0.70 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 1va8 s THR 10 Cb -0.25 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 70.87 1va8 s THR 10 CO 0.50 -0.40 1.10 -1.81 -0.69 0.00 0.00 174.62 173.33 1va8 s ASP 11 N -2.87 6.26 -1.12 3.53 1.01 -1.26 -4.90 116.67 117.31 1va8 s ASP 11 Ca 0.08 -1.04 -0.09 0.00 0.71 0.00 0.00 52.55 52.21 1va8 s ASP 11 Cb 0.03 -2.46 -0.14 0.00 1.01 0.00 0.00 42.92 41.36 1va8 s ASP 11 CO -0.07 -1.49 3.15 -1.84 0.21 0.00 0.00 175.17 175.12 1va8 n GLU 12 N 8.05 3.21 -0.69 8.23 0.28 -1.26 -3.51 120.64 134.96 1va8 n GLU 12 Ca 0.05 -1.88 -0.00 0.00 -0.16 0.00 0.00 57.16 55.16 1va8 n GLU 12 Cb 0.47 -2.55 -0.01 0.00 1.43 0.00 0.00 31.44 30.79 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 3.17 0.00 -0.77 3.44 1.85 -1.26 -4.86 116.66 118.23 1va8 n ARG 13 Ca 0.67 -0.75 0.05 0.00 -1.00 0.00 0.00 57.85 56.82 1va8 n ARG 13 Cb 0.44 -0.13 0.34 0.00 -1.05 0.00 0.00 32.46 32.06 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 0.06 2.34 -1.26 8.89 0.31 -1.23 -4.92 118.33 122.53 1va8 n VAL 14 Ca -0.03 -1.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.12 1va8 n VAL 14 Cb 0.68 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 0.50 -1.78 -2.29 3.52 4.01 -1.26 -5.13 117.16 114.73 1va8 n TYR 15 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 1va8 n TYR 15 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1va8 n TYR 15 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1va8 n GLU 16 N -0.49 3.60 -1.52 -0.72 0.00 -1.26 -5.01 120.64 115.23 1va8 n GLU 16 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 57.16 56.67 1va8 n GLU 16 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 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 2.55 -4.88 4.31 3.41 -1.26 -4.92 113.62 112.82 1va8 n SER 17 Ca 0.00 0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 58.81 1va8 n SER 17 Cb 0.00 -1.32 0.06 0.00 -0.26 0.00 0.00 64.21 62.69 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 6.79 3.01 -0.04 -1.33 -1.09 -1.26 -5.03 121.20 122.24 1va8 s ILE 18 Ca 1.05 0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 59.78 1va8 s ILE 18 Cb -0.75 -3.31 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 1va8 s ILE 18 CO 0.48 -0.43 0.14 1.23 -1.23 0.00 0.00 174.94 175.13 1va8 h GLY 19 N -0.80 -0.08 -7.27 6.18 0.00 -1.91 -3.42 103.07 95.77 1va8 h GLY 19 Ca -0.45 0.03 -0.64 0.00 0.00 0.00 0.00 47.33 46.26 1va8 h GLY 19 CO 0.64 -0.03 0.57 -2.38 0.00 0.00 0.00 176.54 175.34 1va8 s HIS 20 N -1.61 2.74 -0.70 5.60 0.00 -1.26 -1.03 115.29 119.03 1va8 s HIS 20 Ca -0.01 -0.68 -0.05 0.00 -3.00 0.00 0.00 55.06 51.32 1va8 s HIS 20 Cb 0.00 -4.28 -0.05 0.00 -4.00 0.00 0.00 32.58 24.25 1va8 s HIS 20 CO 0.03 -1.62 1.85 0.66 -1.00 0.00 0.00 174.74 174.67 1va8 n TYR 21 N 7.51 1.07 -2.94 0.38 4.02 -1.16 -4.57 117.16 121.47 1va8 n TYR 21 Ca -0.00 -1.62 -0.01 0.00 -0.01 0.00 0.00 57.90 56.25 1va8 n TYR 21 Cb 0.46 -1.43 -0.01 0.00 -0.02 0.00 0.00 39.34 38.34 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 3.85 -1.96 0.48 2.72 0.00 -1.26 -4.04 105.19 104.98 1va8 n GLY 22 Ca 0.35 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 1.71 1.97 0.80 -0.02 0.00 -1.26 -4.97 105.19 103.42 1va8 n GLY 23 Ca -0.10 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -0.93 -3.71 1.61 0.28 -1.26 -5.07 120.64 111.55 1va8 n GLU 24 Ca 0.00 -0.41 -0.16 0.00 -0.16 0.00 0.00 57.16 56.42 1va8 n GLU 24 Cb 0.00 -0.33 -0.16 0.00 1.43 0.00 0.00 31.44 32.38 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 -1.53 -0.13 -0.03 3.84 -4.23 -1.26 -2.97 115.64 109.34 1va8 s THR 25 Ca 0.16 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 1va8 s THR 25 Cb -0.01 -0.20 -0.03 0.00 1.34 0.00 0.00 72.50 73.60 1va8 s THR 25 CO 0.12 0.12 -0.05 0.68 -0.54 0.00 0.00 174.62 174.95 1va8 s VAL 26 N 1.71 3.77 -0.28 2.29 -7.23 -0.20 -4.74 120.40 115.72 1va8 s VAL 26 Ca -0.02 -0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 59.41 1va8 s VAL 26 Cb -0.12 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1va8 s VAL 26 CO -0.05 0.48 0.26 -0.75 -0.31 0.00 0.00 175.10 174.73 1va8 s LYS 27 N -1.19 3.93 -0.30 4.82 2.20 0.33 -4.67 119.74 124.86 1va8 s LYS 27 Ca 0.15 -0.22 -0.19 0.00 -0.36 0.00 0.00 55.97 55.36 1va8 s LYS 27 Cb -0.11 -3.67 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 1va8 s LYS 27 CO 0.05 -0.24 0.56 0.42 -0.36 0.00 0.00 175.35 175.78 1va8 s ILE 28 N 1.88 5.00 -0.19 5.43 1.09 -1.25 -1.31 121.20 131.84 1va8 s ILE 28 Ca 0.10 0.72 0.01 0.00 -1.10 0.00 0.00 60.65 60.38 1va8 s ILE 28 Cb -0.16 -3.94 0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1va8 s ILE 28 CO 0.11 -0.09 -0.16 0.68 -0.10 0.00 0.00 174.94 175.37 1va8 s VAL 29 N 2.46 1.95 -0.41 2.92 -7.23 0.25 -4.91 120.40 115.43 1va8 s VAL 29 Ca 0.22 -1.01 -0.19 0.00 -1.81 0.00 0.00 61.98 59.19 1va8 s VAL 29 Cb -0.15 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.96 1va8 s VAL 29 CO 0.11 0.39 0.55 -0.13 -0.31 0.00 0.00 175.10 175.72 1va8 s ARG 30 N 1.30 3.30 -0.07 4.82 0.52 -1.26 0.14 118.95 127.71 1va8 s ARG 30 Ca 0.02 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 1va8 s ARG 30 Cb -0.14 -3.93 -0.03 0.00 0.52 0.00 0.00 34.95 31.37 1va8 s ARG 30 CO -0.11 -0.88 -0.00 0.42 0.02 0.00 0.00 175.30 174.74 1va8 s ILE 31 N 2.52 4.24 -0.29 1.52 1.01 -0.44 -4.88 121.20 124.88 1va8 s ILE 31 Ca 0.19 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1va8 s ILE 31 Cb -0.15 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1va8 s ILE 31 CO 0.16 0.56 0.35 -1.61 0.00 0.00 0.00 174.94 174.40 1va8 s GLU 32 N -1.02 3.89 -0.06 2.79 2.02 -1.26 -0.47 118.70 124.59 1va8 s GLU 32 Ca 0.15 -0.11 0.04 0.00 0.02 0.00 0.00 54.97 55.06 1va8 s GLU 32 Cb -0.11 -3.70 -0.00 0.00 0.10 0.00 0.00 34.13 30.42 1va8 s GLU 32 CO 0.04 -0.34 -0.19 0.15 0.02 0.00 0.00 175.26 174.94 1va8 s LYS 33 N 2.04 2.08 0.99 1.61 1.02 -0.82 -4.94 119.74 121.71 1va8 s LYS 33 Ca 0.13 -0.67 -0.14 0.00 0.02 0.00 0.00 55.97 55.31 1va8 s LYS 33 Cb -0.16 -1.74 0.18 0.00 -0.52 0.00 0.00 37.83 35.59 1va8 s LYS 33 CO 0.11 0.23 1.15 0.00 -0.92 0.00 0.00 175.35 175.91 1va8 s ALA 34 N 0.14 1.46 -0.92 5.17 0.00 -1.26 0.22 121.76 126.55 1va8 s ALA 34 Ca -0.07 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1va8 s ALA 34 Cb -0.13 -2.99 0.08 0.00 0.00 0.00 0.00 23.12 20.08 1va8 s ALA 34 CO 0.04 -2.65 0.63 0.54 0.00 0.00 0.00 175.76 174.32 1va8 n ARG 35 N -4.03 1.40 -1.08 0.00 1.74 -1.26 -3.16 116.66 110.28 1va8 n ARG 35 Ca 0.08 -0.33 -0.04 0.00 -0.77 0.00 0.00 57.85 56.80 1va8 n ARG 35 Cb 0.59 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1va8 n ARG 35 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1va8 n ASP 36 N 0.06 -0.72 -4.29 0.55 2.03 -1.26 -5.10 116.55 107.83 1va8 n ASP 36 Ca 0.03 -1.41 -0.33 0.00 0.52 0.00 0.00 54.79 53.60 1va8 n ASP 36 Cb 0.35 0.24 -0.15 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.02 2.67 0.50 5.18 -1.09 -1.19 -5.11 121.20 122.17 1va8 s ILE 37 Ca 0.01 -0.78 -0.20 0.00 -2.23 0.00 0.00 60.65 57.45 1va8 s ILE 37 Cb 0.05 -2.11 -0.08 0.00 -1.58 0.00 0.00 42.46 38.74 1va8 s ILE 37 CO -0.02 0.53 1.04 -2.16 -1.23 0.00 0.00 174.94 173.10 1va8 s PRO 38 N 0.60 3.76 0.03 2.79 0.04 -1.26 -4.66 135.00 136.30 1va8 s PRO 38 Ca -0.09 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 1va8 s PRO 38 Cb -0.16 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.12 1va8 s PRO 38 CO 0.03 -0.46 1.33 1.25 0.04 0.00 0.00 177.00 179.18 1va8 h LEU 39 N 1.44 -0.62 -0.54 -3.56 5.85 -1.95 -3.00 115.31 112.93 1va8 h LEU 39 Ca -0.49 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.09 1va8 h LEU 39 Cb 1.22 0.16 0.02 0.00 0.37 0.00 0.00 40.66 42.43 1va8 h LEU 39 CO 0.59 -0.30 -0.14 0.61 -0.34 0.00 0.00 178.44 178.85 1va8 n GLY 40 N -0.80 0.50 2.82 3.75 0.00 -1.26 0.20 105.19 110.41 1va8 n GLY 40 Ca -0.12 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.85 -0.17 0.35 4.61 0.00 -1.26 0.18 121.76 122.61 1va8 s ALA 41 Ca 0.10 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1va8 s ALA 41 Cb -0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 1va8 s ALA 41 CO 0.12 -0.70 0.75 0.99 0.00 0.00 0.00 175.76 176.92 1va8 s THR 42 N 2.30 4.71 0.05 0.00 2.01 0.33 -4.92 115.64 120.13 1va8 s THR 42 Ca 0.03 0.85 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1va8 s THR 42 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1va8 s THR 42 CO -0.07 -0.30 -0.08 0.68 -0.69 0.00 0.00 174.62 174.16 1va8 s VAL 43 N -2.11 0.61 0.30 3.82 -7.23 -1.26 -1.22 120.40 113.30 1va8 s VAL 43 Ca 0.53 -1.26 0.08 0.00 -1.81 0.00 0.00 61.98 59.52 1va8 s VAL 43 Cb -0.10 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1va8 s VAL 43 CO 0.22 -0.47 0.18 0.00 -0.31 0.00 0.00 175.10 174.72 1va8 s ARG 44 N -2.02 2.65 -0.24 4.82 1.70 0.51 -4.58 118.95 121.80 1va8 s ARG 44 Ca -0.05 -1.28 -0.14 0.00 -0.47 0.00 0.00 55.73 53.78 1va8 s ARG 44 Cb -0.07 -2.39 -0.04 0.00 -0.57 0.00 0.00 34.95 31.87 1va8 s ARG 44 CO -0.00 0.25 0.32 1.21 -1.08 0.00 0.00 175.30 175.99 1va8 s ASN 45 N -3.86 6.26 0.34 -2.89 3.04 -1.26 -2.25 114.94 114.32 1va8 s ASN 45 Ca 0.36 0.30 0.08 0.00 0.04 0.00 0.00 52.86 53.64 1va8 s ASN 45 Cb -0.06 -2.19 -0.04 0.00 -1.54 0.00 0.00 41.25 37.43 1va8 s ASN 45 CO 0.24 -0.08 0.17 -1.61 -3.04 0.00 0.00 177.10 172.78 1va8 s GLU 46 N 1.56 2.46 0.00 0.43 0.41 0.12 -4.96 118.70 118.72 1va8 s GLU 46 Ca 0.14 -1.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 1va8 s GLU 46 Cb -0.15 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1va8 s GLU 46 CO 0.08 0.12 0.00 -1.33 -0.49 0.00 0.00 175.26 173.64 1va8 n MET 47 N -1.19 0.00 -0.75 1.61 2.81 -1.26 -2.30 117.12 116.04 1va8 n MET 47 Ca -0.03 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.84 1va8 n MET 47 Cb 0.61 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.10 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 -3.75 -0.23 -4.15 7.83 8.00 -1.26 -5.05 116.55 117.94 1va8 n ASP 48 Ca 0.00 -1.54 -0.15 0.00 0.71 0.00 0.00 54.79 53.81 1va8 n ASP 48 Cb 0.00 0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.63 1.35 -0.57 -2.24 0.01 -0.97 -1.02 113.70 109.63 1va8 s SER 49 Ca 0.03 -0.74 -0.11 0.00 1.31 0.00 0.00 55.95 56.44 1va8 s SER 49 Cb 0.04 0.01 0.15 0.00 0.21 0.00 0.00 66.02 66.42 1va8 s SER 49 CO -0.02 -0.23 0.48 -0.69 0.41 0.00 0.00 173.24 173.19 1va8 s VAL 50 N -2.10 4.70 0.27 3.43 1.01 -1.26 0.16 120.40 126.62 1va8 s VAL 50 Ca 0.01 -1.96 0.02 0.00 0.00 0.00 0.00 61.98 60.05 1va8 s VAL 50 Cb -0.05 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1va8 s VAL 50 CO 0.00 -0.86 0.44 -0.63 0.00 0.00 0.00 175.10 174.05 1va8 s ILE 51 N 1.05 5.19 0.45 2.22 1.09 -0.95 -1.08 121.20 129.16 1va8 s ILE 51 Ca 0.08 -0.60 -0.23 0.00 -1.10 0.00 0.00 60.65 58.80 1va8 s ILE 51 Cb -0.24 -3.82 -0.08 0.00 -1.06 0.00 0.00 42.46 37.27 1va8 s ILE 51 CO -0.02 -0.37 1.16 -0.63 -0.10 0.00 0.00 174.94 174.99 1va8 s ILE 52 N -2.07 3.12 -0.04 2.92 -1.09 0.29 0.19 121.20 124.53 1va8 s ILE 52 Ca 0.38 0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 59.64 1va8 s ILE 52 Cb -0.10 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1va8 s ILE 52 CO 0.32 -0.00 -0.04 -1.54 -1.23 0.00 0.00 174.94 172.45 1va8 n SER 53 N -0.42 2.43 -3.66 3.58 3.41 -0.36 -3.49 113.62 115.11 1va8 n SER 53 Ca 0.07 0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.58 1va8 n SER 53 Cb 0.48 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.07 1.19 -0.16 4.33 3.52 -0.91 -4.95 118.95 119.90 1va8 s ARG 54 Ca -0.05 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1va8 s ARG 54 Cb 0.01 0.49 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 1va8 s ARG 54 CO 0.07 -0.49 -0.16 0.42 -0.81 0.00 0.00 175.30 174.34 1va8 s ILE 55 N -3.83 1.72 0.28 4.11 -1.09 -1.26 0.12 121.20 121.26 1va8 s ILE 55 Ca 0.05 -0.73 -0.21 0.00 -2.23 0.00 0.00 60.65 57.53 1va8 s ILE 55 Cb 0.01 -1.60 -0.09 0.00 -1.58 0.00 0.00 42.46 39.20 1va8 s ILE 55 CO -0.09 0.48 0.81 -0.69 -1.23 0.00 0.00 174.94 174.22 1va8 s VAL 56 N 1.43 4.47 0.39 2.92 1.01 0.47 -4.93 120.40 126.14 1va8 s VAL 56 Ca 0.05 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.20 1va8 s VAL 56 Cb -0.13 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1va8 s VAL 56 CO -0.11 0.09 0.98 -0.75 0.00 0.00 0.00 175.10 175.31 1va8 s LYS 57 N -2.23 4.32 0.00 2.72 2.47 -1.26 -3.15 119.74 122.61 1va8 s LYS 57 Ca 0.48 1.31 0.00 0.00 -1.56 0.00 0.00 55.97 56.20 1va8 s LYS 57 Cb -0.16 -2.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.72 1va8 s LYS 57 CO 0.21 0.04 0.00 0.41 0.16 0.00 0.00 175.35 176.16 1va8 n GLY 58 N 0.07 1.80 3.80 5.54 0.00 -1.26 -4.99 105.19 110.15 1va8 n GLY 58 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 2.32 0.55 -0.02 0.00 -1.19 -4.87 107.32 102.13 1va8 s GLY 59 Ca 0.00 0.50 0.28 0.00 0.00 0.00 0.00 44.72 45.50 1va8 s GLY 59 CO 0.00 0.81 2.15 0.00 0.00 0.00 0.00 173.10 176.07 1va8 h ALA 60 N 1.00 1.40 0.11 3.20 0.00 -0.10 -0.12 119.26 124.75 1va8 h ALA 60 Ca -0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1va8 h ALA 60 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1va8 h ALA 60 CO 0.58 0.08 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 1va8 h ALA 61 N 1.93 -0.14 0.67 0.00 0.00 -1.77 -2.90 119.26 117.06 1va8 h ALA 61 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1va8 h ALA 61 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1va8 h ALA 61 CO 0.01 -0.25 -0.45 1.49 0.00 0.00 0.00 179.25 180.05 1va8 h GLU 62 N -0.81 -1.03 -0.30 0.00 4.81 -1.66 0.77 114.58 116.36 1va8 h GLU 62 Ca -0.01 0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1va8 h GLU 62 Cb 0.57 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1va8 h GLU 62 CO 0.02 -0.69 -0.18 1.63 -0.73 0.00 0.00 179.01 179.07 1va8 n LYS 63 N -5.57 -0.13 -0.01 1.92 5.02 -0.10 0.13 118.16 119.41 1va8 n LYS 63 Ca -0.13 1.15 0.10 0.00 -2.02 0.00 0.00 58.31 57.41 1va8 n LYS 63 Cb 0.46 -1.71 0.52 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.32 -5.04 4.39 4.64 -1.45 -3.46 113.55 112.94 1va8 h SER 64 Ca 0.05 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 1va8 h SER 64 Cb 0.12 -0.07 0.13 0.00 -0.31 0.00 0.00 62.40 62.28 1va8 h SER 64 CO -0.29 0.20 -0.60 0.61 -0.87 0.00 0.00 176.83 175.89 1va8 n GLY 65 N -1.52 -0.27 0.00 -0.77 0.00 0.35 -4.91 105.19 98.07 1va8 n GLY 65 Ca 0.07 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.00 0.66 -4.46 0.99 4.77 -1.14 -4.91 117.00 108.92 1va8 n LEU 66 Ca -0.09 -0.44 -0.34 0.00 -0.03 0.00 0.00 56.01 55.11 1va8 n LEU 66 Cb 0.59 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1va8 n LEU 66 CO 0.53 0.17 -0.36 -0.76 -1.33 0.00 0.00 177.39 175.63 1va8 s LEU 67 N -2.94 3.16 -0.04 2.23 2.01 -1.26 -5.00 118.68 116.84 1va8 s LEU 67 Ca 0.05 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 54.01 1va8 s LEU 67 Cb 0.12 -1.77 0.01 0.00 0.01 0.00 0.00 46.19 44.57 1va8 s LEU 67 CO 0.67 0.13 -0.06 -1.00 1.01 0.00 0.00 176.35 177.10 1va8 s HIS 68 N 0.57 0.83 -0.31 0.29 3.76 -1.26 -4.84 115.29 114.33 1va8 s HIS 68 Ca -0.03 -0.23 -0.43 0.00 -0.15 0.00 0.00 55.06 54.23 1va8 s HIS 68 Cb -0.14 -0.66 -0.18 0.00 1.11 0.00 0.00 32.58 32.70 1va8 s HIS 68 CO 0.03 -0.15 1.58 0.39 -0.85 0.00 0.00 174.74 175.74 1va8 n GLU 69 N 3.72 0.57 0.00 1.40 1.02 -1.26 -0.68 120.64 125.40 1va8 n GLU 69 Ca -0.22 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1va8 n GLU 69 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 3.70 0.97 3.74 0.62 0.00 -1.23 -4.89 105.19 108.11 1va8 n GLY 70 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 7.13 -0.19 1.61 1.01 0.15 -4.01 116.67 120.44 1va8 s ASP 71 Ca 0.00 2.20 -0.07 0.00 0.71 0.00 0.00 52.55 55.39 1va8 s ASP 71 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1va8 s ASP 71 CO 0.00 -0.33 0.06 -0.70 0.21 0.00 0.00 175.17 174.41 1va8 s GLU 72 N -0.32 3.90 0.04 8.23 2.12 -1.11 -0.55 118.70 131.01 1va8 s GLU 72 Ca 0.52 -0.38 -0.19 0.00 0.36 0.00 0.00 54.97 55.28 1va8 s GLU 72 Cb -0.32 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 1va8 s GLU 72 CO 0.36 0.20 0.54 0.08 -0.54 0.00 0.00 175.26 175.90 1va8 s VAL 73 N 0.57 4.84 0.05 3.70 1.01 -0.24 -2.24 120.40 128.08 1va8 s VAL 73 Ca 0.03 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1va8 s VAL 73 Cb -0.13 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1va8 s VAL 73 CO 0.01 0.53 0.00 0.18 0.00 0.00 0.00 175.10 175.82 1va8 n LEU 74 N 1.96 0.25 -3.94 3.92 4.77 -0.93 -3.82 117.00 119.21 1va8 n LEU 74 Ca -0.10 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 1va8 n LEU 74 Cb 0.51 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1va8 n LEU 74 CO 0.41 -0.36 -0.36 -0.70 -1.33 0.00 0.00 177.39 175.05 1va8 s GLU 75 N -2.00 0.21 -0.12 3.23 2.12 -1.21 0.63 118.70 121.56 1va8 s GLU 75 Ca 0.00 -0.39 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 1va8 s GLU 75 Cb 0.00 0.06 0.05 0.00 0.26 0.00 0.00 34.13 34.49 1va8 s GLU 75 CO 0.00 -0.03 0.06 0.42 -0.54 0.00 0.00 175.26 175.18 1va8 s ILE 76 N -0.92 0.02 -2.09 -3.70 1.01 0.32 -1.22 121.20 114.64 1va8 s ILE 76 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1va8 s ILE 76 Cb -0.06 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1va8 s ILE 76 CO -0.01 -0.06 0.00 0.59 0.00 0.00 0.00 174.94 175.46 1va8 n ASN 77 N 5.25 -5.48 0.00 3.58 4.13 -0.39 -0.45 115.26 121.90 1va8 n ASN 77 Ca -0.06 0.43 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1va8 n ASN 77 Cb 0.49 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 34.01 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 -0.56 2.94 3.75 7.41 0.00 -1.26 -4.99 105.19 112.47 1va8 n GLY 78 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.84 3.30 0.59 -0.61 1.09 0.40 -4.99 121.20 118.14 1va8 s ILE 79 Ca 0.00 1.14 -0.16 0.00 -1.10 0.00 0.00 60.65 60.53 1va8 s ILE 79 Cb 0.00 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 1va8 s ILE 79 CO 0.00 0.21 1.07 -0.70 -0.10 0.00 0.00 174.94 175.41 1va8 s GLU 80 N -0.62 3.29 0.00 2.79 2.12 -1.26 0.12 118.70 125.15 1va8 s GLU 80 Ca 0.52 1.28 0.00 0.00 0.36 0.00 0.00 54.97 57.13 1va8 s GLU 80 Cb -0.35 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1va8 s GLU 80 CO 0.40 -0.84 0.00 -0.89 -0.54 0.00 0.00 175.26 173.39 1va8 n ILE 81 N -1.92 0.00 -1.60 -3.70 2.08 0.21 -4.78 119.36 109.65 1va8 n ILE 81 Ca 0.09 0.00 -0.63 0.00 0.56 0.00 0.00 62.75 62.77 1va8 n ILE 81 Cb 0.53 -0.68 -0.10 0.00 -0.75 0.00 0.00 39.64 38.64 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 -2.43 0.29 0.00 0.38 0.63 -1.11 0.18 116.66 114.60 1va8 n ARG 82 Ca 0.00 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1va8 n ARG 82 Cb 0.28 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.51 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 5.10 3.02 3.29 5.14 0.00 -0.19 -4.96 105.19 116.59 1va8 n GLY 83 Ca 0.37 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.17 -3.97 1.61 5.02 0.47 -4.92 118.16 115.19 1va8 n LYS 84 Ca 0.00 -0.32 -0.21 0.00 -2.02 0.00 0.00 58.31 55.76 1va8 n LYS 84 Cb 0.00 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 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 -1.81 6.11 0.13 4.39 2.15 -1.26 -4.77 116.67 121.61 1va8 s ASP 85 Ca 0.55 -0.02 -0.21 0.00 0.43 0.00 0.00 52.55 53.29 1va8 s ASP 85 Cb -0.13 -1.71 -0.02 0.00 -0.30 0.00 0.00 42.92 40.76 1va8 s ASP 85 CO 0.67 -0.09 1.68 -0.37 -0.17 0.00 0.00 175.17 176.89 1va8 h VAL 86 N 1.22 0.67 -0.40 1.11 -1.51 -1.92 0.28 116.25 115.69 1va8 h VAL 86 Ca -0.51 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.00 1va8 h VAL 86 Cb 1.23 0.67 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 1va8 h VAL 86 CO 0.60 0.00 0.18 -1.13 -1.23 0.00 0.00 177.57 175.99 1va8 h ASN 87 N -0.11 0.24 -0.25 4.19 -0.73 -1.97 0.35 115.58 117.29 1va8 h ASN 87 Ca 0.10 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.35 1va8 h ASN 87 Cb 0.26 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.79 1va8 h ASN 87 CO -0.23 0.18 -0.06 -0.33 -0.37 0.00 0.00 177.43 176.62 1va8 h GLU 88 N 0.37 0.01 0.55 6.67 5.08 -1.70 0.72 114.58 126.27 1va8 h GLU 88 Ca 0.18 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1va8 h GLU 88 Cb 0.11 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1va8 h GLU 88 CO -0.15 0.01 -0.26 0.28 -1.00 0.00 0.00 179.01 177.89 1va8 h VAL 89 N 0.01 0.46 -0.62 3.13 2.07 0.13 0.19 116.25 121.61 1va8 h VAL 89 Ca 0.12 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1va8 h VAL 89 Cb 0.18 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 1va8 h VAL 89 CO -0.26 0.01 0.16 -0.26 0.02 0.00 0.00 177.57 177.24 1va8 h PHE 90 N -0.76 0.26 -0.26 1.57 0.04 0.04 0.31 116.94 118.15 1va8 h PHE 90 Ca -0.08 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 1va8 h PHE 90 Cb 0.58 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 1va8 h PHE 90 CO -0.03 -0.00 -0.01 0.22 -0.60 0.00 0.00 178.31 177.88 1va8 h ASP 91 N 0.30 0.36 0.20 2.17 3.58 0.70 -1.03 116.42 122.69 1va8 h ASP 91 Ca 0.33 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1va8 h ASP 91 Cb 0.48 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1va8 h ASP 91 CO -0.39 0.43 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.24 1va8 h LEU 92 N 0.38 -0.23 -0.53 2.28 3.38 0.27 -2.14 115.31 118.72 1va8 h LEU 92 Ca 0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1va8 h LEU 92 Cb 0.28 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1va8 h LEU 92 CO 0.01 -0.13 -0.52 -0.07 0.09 0.00 0.00 178.44 177.81 1va8 h LEU 93 N -0.33 -1.80 -0.91 1.67 -0.00 -0.85 0.24 115.31 113.33 1va8 h LEU 93 Ca -0.03 0.25 0.14 0.00 -0.00 0.00 0.00 57.88 58.24 1va8 h LEU 93 Cb 0.21 0.75 -0.14 0.00 -0.00 0.00 0.00 40.66 41.48 1va8 h LEU 93 CO 0.05 -0.33 -0.36 -0.24 -0.00 0.00 0.00 178.44 177.55 1va8 n SER 94 N -5.14 -0.61 -0.21 -0.43 2.88 -0.40 0.20 113.62 109.92 1va8 n SER 94 Ca -0.02 1.58 -0.04 0.00 -1.33 0.00 0.00 58.87 59.06 1va8 n SER 94 Cb 0.29 -0.36 0.06 0.00 -0.75 0.00 0.00 64.21 63.46 1va8 n SER 94 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1va8 h ASP 95 N 0.00 0.57 -4.33 -3.46 3.58 -0.14 -3.42 116.42 109.21 1va8 h ASP 95 Ca 0.31 0.01 -0.50 0.00 0.42 0.00 0.00 57.03 57.26 1va8 h ASP 95 Cb 0.53 -0.11 0.10 0.00 1.72 0.00 0.00 39.33 41.57 1va8 h ASP 95 CO -0.90 0.39 0.37 -0.04 -2.88 0.00 0.00 179.24 176.18 1va8 s MET 96 N -6.12 2.69 0.05 0.28 -1.94 0.53 -5.08 119.30 109.70 1va8 s MET 96 Ca -0.13 0.79 -0.27 0.00 -1.71 0.00 0.00 55.69 54.37 1va8 s MET 96 Cb 0.14 -1.97 0.08 0.00 2.01 0.00 0.00 34.83 35.09 1va8 s MET 96 CO 0.75 -1.23 0.69 -3.38 -0.01 0.00 0.00 175.02 171.84 1va8 s HIS 97 N -3.12 -0.55 0.00 -0.03 -3.43 -1.26 -4.83 115.29 102.07 1va8 s HIS 97 Ca 0.59 0.62 0.00 0.00 -0.80 0.00 0.00 55.06 55.46 1va8 s HIS 97 Cb -0.14 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1va8 s HIS 97 CO 0.54 -0.70 0.00 0.41 -2.00 0.00 0.00 174.74 173.00 1va8 n GLY 98 N 0.16 -1.82 3.55 -1.38 0.00 0.59 -4.81 105.19 101.49 1va8 n GLY 98 Ca -0.16 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 3.38 -0.08 2.61 2.01 -1.25 -1.94 115.64 120.37 1va8 s THR 99 Ca 0.00 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 1va8 s THR 99 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1va8 s THR 99 CO 0.00 -0.94 0.35 -0.76 -0.69 0.00 0.00 174.62 172.59 1va8 s LEU 100 N 9.26 4.37 -0.53 4.42 1.02 0.38 -4.86 118.68 132.74 1va8 s LEU 100 Ca 0.67 0.76 -0.21 0.00 0.02 0.00 0.00 54.13 55.37 1va8 s LEU 100 Cb -0.11 -2.48 0.05 0.00 0.02 0.00 0.00 46.19 43.67 1va8 s LEU 100 CO 0.15 0.23 0.75 -0.89 0.02 0.00 0.00 176.35 176.61 1va8 s THR 101 N -0.40 4.68 -0.28 5.49 2.01 -1.26 -1.33 115.64 124.54 1va8 s THR 101 Ca 0.21 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 1va8 s THR 101 Cb -0.15 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 67.93 1va8 s THR 101 CO 0.09 -0.96 0.50 -0.36 -0.69 0.00 0.00 174.62 173.20 1va8 s PHE 102 N 3.15 3.24 -0.61 4.92 0.40 0.12 -1.27 117.98 127.94 1va8 s PHE 102 Ca 0.20 0.51 -0.08 0.00 -0.60 0.00 0.00 56.93 56.96 1va8 s PHE 102 Cb -0.17 -2.75 0.16 0.00 0.51 0.00 0.00 43.02 40.76 1va8 s PHE 102 CO 0.14 -0.34 0.48 0.08 0.70 0.00 0.00 175.22 176.28 1va8 s VAL 103 N 2.31 4.38 0.10 -0.44 1.01 -0.35 0.86 120.40 128.26 1va8 s VAL 103 Ca 0.20 -2.33 0.03 0.00 0.00 0.00 0.00 61.98 59.87 1va8 s VAL 103 Cb -0.16 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1va8 s VAL 103 CO 0.10 -0.87 -0.08 -1.48 0.00 0.00 0.00 175.10 172.77 1va8 s LEU 104 N 0.61 2.45 -0.20 3.92 0.05 -0.43 -2.19 118.68 122.89 1va8 s LEU 104 Ca 0.12 -0.90 -0.09 0.00 0.05 0.00 0.00 54.13 53.32 1va8 s LEU 104 Cb -0.20 -0.19 -0.04 0.00 -2.05 0.00 0.00 46.19 43.70 1va8 s LEU 104 CO -0.04 -0.35 0.10 -0.63 -0.55 0.00 0.00 176.35 174.88 1va8 s ILE 105 N -2.96 5.04 -0.21 1.48 1.01 -0.95 -0.51 121.20 124.09 1va8 s ILE 105 Ca 0.08 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 1va8 s ILE 105 Cb 0.01 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1va8 s ILE 105 CO -0.02 0.44 1.30 -2.16 0.00 0.00 0.00 174.94 174.50 1va8 s PRO 106 N 0.48 4.11 -1.25 2.79 0.04 -1.26 -2.76 135.00 137.15 1va8 s PRO 106 Ca 0.05 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 1va8 s PRO 106 Cb -0.12 -3.82 0.08 0.00 0.04 0.00 0.00 34.50 30.68 1va8 s PRO 106 CO 0.00 -0.87 1.66 0.45 0.04 0.00 0.00 177.00 178.27 1va8 s SER 107 N 2.38 6.82 -0.17 6.66 0.15 -1.26 -4.82 113.70 123.46 1va8 s SER 107 Ca 0.56 -2.37 -0.05 0.00 0.70 0.00 0.00 55.95 54.79 1va8 s SER 107 Cb -0.20 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.44 1va8 s SER 107 CO 0.18 -1.16 3.13 -0.24 1.20 0.00 0.00 173.24 176.34 1va8 n SER 108 N 8.12 5.74 -3.83 5.45 2.88 -1.26 -4.66 113.62 126.06 1va8 n SER 108 Ca 0.45 -2.76 -0.29 0.00 -1.33 0.00 0.00 58.87 54.95 1va8 n SER 108 Cb 0.46 -1.31 -0.11 0.00 -0.75 0.00 0.00 64.21 62.50 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 1.75 4.19 3.65 0.46 0.00 -1.26 -5.06 105.19 108.91 1va8 n GLY 109 Ca 0.41 -2.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.67 4.07 -0.19 1.61 0.04 -1.26 -4.90 135.00 132.70 1va8 s PRO 110 Ca 0.28 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 1va8 s PRO 110 Cb -0.01 -3.84 -0.14 0.00 0.04 0.00 0.00 34.50 30.56 1va8 s PRO 110 CO -0.14 -0.93 0.08 0.77 0.04 0.00 0.00 177.00 176.83 1va8 h SER 111 N 8.87 0.00 -3.17 6.66 0.02 -1.99 -3.46 113.55 120.48 1va8 h SER 111 Ca -0.27 -0.34 -0.53 0.00 -0.84 0.00 0.00 61.79 59.82 1va8 h SER 111 Cb 1.11 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.67 1va8 h SER 111 CO 1.00 1.25 0.69 -0.44 -1.14 0.00 0.00 176.83 178.18 1va8 s SER 112 N -6.48 6.86 0.00 3.07 0.01 -1.26 -5.35 113.70 110.55 1va8 s SER 112 Ca -0.24 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1va8 s SER 112 Cb 0.05 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1va8 s SER 112 CO 0.46 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.13