#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 2.95 -0.10 1.61 0.15 -1.26 -5.10 113.70 111.96 1va8 s SER 2 Ca 0.00 -1.46 -0.08 0.00 0.70 0.00 0.00 55.95 55.12 1va8 s SER 2 Cb 0.00 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1va8 s SER 2 CO 0.00 -0.66 -0.15 -1.20 1.20 0.00 0.00 173.24 172.43 1va8 n SER 3 N -0.91 1.16 0.00 5.45 7.64 -1.26 -5.13 113.62 120.57 1va8 n SER 3 Ca -0.05 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1va8 n SER 3 Cb 0.66 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1va8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va8 n GLY 4 N 1.60 0.62 3.34 0.23 0.00 -1.26 -5.13 105.19 104.59 1va8 n GLY 4 Ca -0.06 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.00 0.94 0.26 1.61 0.15 -1.26 -5.18 113.70 106.21 1va8 s SER 5 Ca 0.00 -1.53 -0.10 0.00 0.70 0.00 0.00 55.95 55.02 1va8 s SER 5 Cb 0.00 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1va8 s SER 5 CO 0.00 -1.07 0.45 -0.55 1.20 0.00 0.00 173.24 173.27 1va8 s SER 6 N -3.25 0.04 0.00 5.45 0.15 -1.26 -5.12 113.70 109.71 1va8 s SER 6 Ca 0.36 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1va8 s SER 6 Cb 0.03 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1va8 s SER 6 CO 0.20 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1va8 n GLY 7 N -0.39 -1.91 0.00 9.45 0.00 -1.26 -5.18 105.19 105.90 1va8 n GLY 7 Ca -0.01 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 0.00 -0.09 -2.39 1.61 -0.04 -1.26 -4.97 135.00 127.86 1va8 n PRO 8 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1va8 n PRO 8 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.73 3.88 0.39 0.52 1.01 -1.26 -5.03 121.20 119.98 1va8 s ILE 9 Ca 0.00 1.38 0.06 0.00 0.00 0.00 0.00 60.65 62.10 1va8 s ILE 9 Cb 0.00 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 1va8 s ILE 9 CO 0.00 0.13 0.02 0.28 0.00 0.00 0.00 174.94 175.37 1va8 s THR 10 N 0.88 1.80 -0.14 2.92 -1.32 -1.26 -5.06 115.64 113.46 1va8 s THR 10 Ca 0.58 -2.00 0.21 0.00 -1.21 0.00 0.00 61.69 59.27 1va8 s THR 10 Cb -0.31 -2.94 0.45 0.00 -1.51 0.00 0.00 72.50 68.19 1va8 s THR 10 CO 0.30 -0.00 1.16 0.47 -2.21 0.00 0.00 174.62 174.35 1va8 n ASP 11 N -0.89 1.70 -2.54 8.08 8.00 -1.26 -4.89 116.55 124.75 1va8 n ASP 11 Ca -0.04 -2.53 -0.29 0.00 0.71 0.00 0.00 54.79 52.64 1va8 n ASP 11 Cb 0.67 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 1va8 n ASP 11 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1va8 n GLU 12 N -0.21 2.44 -2.81 -1.24 0.28 -1.26 -4.52 120.64 113.32 1va8 n GLU 12 Ca 0.13 -2.52 -0.07 0.00 -0.16 0.00 0.00 57.16 54.54 1va8 n GLU 12 Cb 0.96 -2.15 0.01 0.00 1.43 0.00 0.00 31.44 31.69 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 0.61 0.58 -0.55 3.44 1.85 -1.26 -4.95 116.66 116.38 1va8 n ARG 13 Ca 0.49 -2.06 0.00 0.00 -1.00 0.00 0.00 57.85 55.28 1va8 n ARG 13 Cb 0.50 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 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 2.57 0.00 -4.29 8.89 0.31 -1.26 -5.09 118.33 119.45 1va8 n VAL 14 Ca 0.17 -0.04 -0.28 0.00 -0.01 0.00 0.00 64.34 64.18 1va8 n VAL 14 Cb 0.57 0.46 -0.10 0.00 -0.91 0.00 0.00 33.84 33.86 1va8 n VAL 14 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1va8 s TYR 15 N 0.00 2.62 -2.47 3.52 1.13 -1.26 -5.01 117.35 115.87 1va8 s TYR 15 Ca 0.01 -0.22 0.27 0.00 -1.41 0.00 0.00 57.07 55.72 1va8 s TYR 15 Cb 0.02 -1.31 0.84 0.00 -1.10 0.00 0.00 41.96 40.41 1va8 s TYR 15 CO -0.01 0.48 1.63 -0.85 -2.51 0.00 0.00 175.55 174.29 1va8 n GLU 16 N 0.25 1.65 -3.72 -3.49 0.28 -1.26 -4.64 120.64 109.71 1va8 n GLU 16 Ca -0.12 -1.06 -0.37 0.00 -0.16 0.00 0.00 57.16 55.45 1va8 n GLU 16 Cb 0.55 -1.48 -0.10 0.00 1.43 0.00 0.00 31.44 31.84 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 -2.08 5.30 0.00 -1.84 0.01 -1.26 -5.04 113.70 108.79 1va8 s SER 17 Ca 0.34 -2.46 -0.01 0.00 1.31 0.00 0.00 55.95 55.13 1va8 s SER 17 Cb 0.21 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1va8 s SER 17 CO 0.36 -0.46 0.12 -0.63 0.41 0.00 0.00 173.24 173.04 1va8 s ILE 18 N 0.51 4.99 0.27 1.44 1.09 -1.26 -5.00 121.20 123.24 1va8 s ILE 18 Ca 0.13 -0.34 -0.08 0.00 -1.10 0.00 0.00 60.65 59.26 1va8 s ILE 18 Cb -0.21 -3.31 0.43 0.00 -1.06 0.00 0.00 42.46 38.30 1va8 s ILE 18 CO -0.04 0.32 1.57 1.23 -0.10 0.00 0.00 174.94 177.92 1va8 h GLY 19 N 3.92 0.72 -7.01 6.18 0.00 -1.98 -2.99 103.07 101.92 1va8 h GLY 19 Ca -0.49 0.30 -0.62 0.00 0.00 0.00 0.00 47.33 46.53 1va8 h GLY 19 CO 0.65 -0.37 -0.68 0.30 0.00 0.00 0.00 176.54 176.44 1va8 s HIS 20 N -6.24 2.74 0.31 5.60 3.76 -1.26 -3.58 115.29 116.62 1va8 s HIS 20 Ca -0.15 -2.94 -0.22 0.00 -0.15 0.00 0.00 55.06 51.60 1va8 s HIS 20 Cb 0.26 -2.26 -0.15 0.00 1.11 0.00 0.00 32.58 31.54 1va8 s HIS 20 CO 0.77 -0.68 0.23 0.66 -0.85 0.00 0.00 174.74 174.87 1va8 n TYR 21 N 2.70 -1.42 -1.61 1.40 4.02 -1.13 -4.70 117.16 116.41 1va8 n TYR 21 Ca 0.16 0.71 -0.50 0.00 -0.01 0.00 0.00 57.90 58.26 1va8 n TYR 21 Cb 0.36 -1.74 -0.05 0.00 -0.02 0.00 0.00 39.34 37.89 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 2.09 0.66 1.29 2.72 0.00 -1.26 -3.35 105.19 107.33 1va8 n GLY 22 Ca 0.13 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 2.76 1.36 0.00 -0.02 0.00 -1.26 -4.92 105.19 103.11 1va8 n GLY 23 Ca 0.18 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.68 -3.90 1.61 2.13 -1.21 -5.10 120.64 114.85 1va8 n GLU 24 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1va8 n GLU 24 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 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 -0.32 0.20 0.10 6.31 -4.23 -1.26 -4.20 115.64 112.23 1va8 s THR 25 Ca 0.00 0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.69 1va8 s THR 25 Cb 0.00 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1va8 s THR 25 CO 0.00 0.17 -0.10 0.68 -0.54 0.00 0.00 174.62 174.83 1va8 s VAL 26 N 1.24 3.37 -0.30 2.29 -7.23 -1.23 -4.75 120.40 113.78 1va8 s VAL 26 Ca -0.07 -1.25 -0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1va8 s VAL 26 Cb -0.13 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.28 1va8 s VAL 26 CO -0.02 0.13 0.02 -0.75 -0.31 0.00 0.00 175.10 174.16 1va8 s LYS 27 N -2.16 2.53 0.01 4.82 2.20 0.70 -4.31 119.74 123.53 1va8 s LYS 27 Ca 0.21 -1.20 -0.27 0.00 -0.36 0.00 0.00 55.97 54.35 1va8 s LYS 27 Cb -0.11 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1va8 s LYS 27 CO 0.13 -0.60 0.84 0.42 -0.36 0.00 0.00 175.35 175.78 1va8 s ILE 28 N 1.30 4.82 -0.10 5.43 1.01 -1.26 -2.84 121.20 129.56 1va8 s ILE 28 Ca -0.04 1.77 -0.01 0.00 0.00 0.00 0.00 60.65 62.37 1va8 s ILE 28 Cb -0.19 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.12 1va8 s ILE 28 CO -0.01 0.27 -0.01 0.68 0.00 0.00 0.00 174.94 175.87 1va8 s VAL 29 N 0.48 0.55 -0.47 2.92 -7.23 0.10 -4.96 120.40 111.78 1va8 s VAL 29 Ca 0.43 -0.06 -0.23 0.00 -1.81 0.00 0.00 61.98 60.31 1va8 s VAL 29 Cb -0.20 -0.72 0.03 0.00 0.56 0.00 0.00 36.38 36.05 1va8 s VAL 29 CO 0.24 0.22 0.81 -0.13 -0.31 0.00 0.00 175.10 175.93 1va8 s ARG 30 N 1.90 3.37 -0.11 4.82 0.52 -1.26 -1.04 118.95 127.14 1va8 s ARG 30 Ca 0.04 -0.19 -0.04 0.00 -0.52 0.00 0.00 55.73 55.02 1va8 s ARG 30 Cb -0.13 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.33 1va8 s ARG 30 CO -0.06 -1.20 0.04 0.42 0.02 0.00 0.00 175.30 174.51 1va8 s ILE 31 N 3.38 4.60 -0.09 1.52 1.01 -0.41 -4.89 121.20 126.32 1va8 s ILE 31 Ca 0.29 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.59 1va8 s ILE 31 Cb -0.13 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1va8 s ILE 31 CO 0.21 0.58 0.65 -1.61 0.00 0.00 0.00 174.94 174.77 1va8 s GLU 32 N -0.60 4.40 -0.03 2.79 2.02 -1.26 -0.47 118.70 125.54 1va8 s GLU 32 Ca 0.11 0.77 0.03 0.00 0.02 0.00 0.00 54.97 55.89 1va8 s GLU 32 Cb -0.12 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1va8 s GLU 32 CO 0.02 0.05 -0.10 0.21 0.02 0.00 0.00 175.26 175.46 1va8 s LYS 33 N 0.87 1.10 0.80 1.61 2.20 -0.44 -4.89 119.74 120.97 1va8 s LYS 33 Ca 0.34 -0.35 -0.11 0.00 -0.36 0.00 0.00 55.97 55.49 1va8 s LYS 33 Cb -0.17 -1.01 0.08 0.00 -1.51 0.00 0.00 37.83 35.22 1va8 s LYS 33 CO 0.16 0.13 1.16 0.00 -0.36 0.00 0.00 175.35 176.43 1va8 s ALA 34 N 0.19 2.73 -2.00 3.13 0.00 -1.26 0.22 121.76 124.76 1va8 s ALA 34 Ca -0.04 -0.70 0.14 0.00 0.00 0.00 0.00 51.96 51.36 1va8 s ALA 34 Cb -0.09 -2.90 0.83 0.00 0.00 0.00 0.00 23.12 20.96 1va8 s ALA 34 CO 0.01 -1.63 1.53 -2.13 0.00 0.00 0.00 175.76 173.54 1va8 n ARG 35 N -3.26 0.99 -1.94 0.00 0.63 -1.26 -3.23 116.66 108.59 1va8 n ARG 35 Ca 0.08 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.98 1va8 n ARG 35 Cb 0.61 -1.22 0.03 0.00 0.45 0.00 0.00 32.46 32.33 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 -0.72 -0.57 -4.24 6.15 2.03 -1.26 -5.09 116.55 112.86 1va8 n ASP 36 Ca 0.10 -2.09 -0.33 0.00 0.52 0.00 0.00 54.79 53.00 1va8 n ASP 36 Cb 0.05 0.26 -0.16 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.47 2.48 0.09 5.18 -1.09 -1.20 -5.10 121.20 121.10 1va8 s ILE 37 Ca 0.11 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.40 1va8 s ILE 37 Cb 0.26 -2.03 -0.06 0.00 -1.58 0.00 0.00 42.46 39.05 1va8 s ILE 37 CO -0.08 0.53 1.15 -2.16 -1.23 0.00 0.00 174.94 173.15 1va8 s PRO 38 N 0.80 4.49 0.17 2.79 0.04 -1.26 -4.64 135.00 137.39 1va8 s PRO 38 Ca -0.06 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 1va8 s PRO 38 Cb -0.15 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 1va8 s PRO 38 CO -0.00 -0.14 1.55 1.25 0.04 0.00 0.00 177.00 179.69 1va8 h LEU 39 N 6.24 -1.92 -0.47 -3.56 5.85 -1.96 -3.27 115.31 116.22 1va8 h LEU 39 Ca -0.42 0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1va8 h LEU 39 Cb 1.21 0.87 0.01 0.00 0.37 0.00 0.00 40.66 43.12 1va8 h LEU 39 CO 0.78 -0.27 -0.07 0.61 -0.34 0.00 0.00 178.44 179.14 1va8 n GLY 40 N -1.33 0.59 2.94 3.75 0.00 -1.26 -0.91 105.19 108.97 1va8 n GLY 40 Ca 0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.68 -0.39 0.41 4.61 0.00 -1.26 -0.04 121.76 122.41 1va8 s ALA 41 Ca 0.04 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 1va8 s ALA 41 Cb -0.02 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 1va8 s ALA 41 CO 0.05 -0.55 0.74 0.99 0.00 0.00 0.00 175.76 176.99 1va8 s THR 42 N 2.20 4.86 0.04 0.00 2.01 0.37 -4.93 115.64 120.19 1va8 s THR 42 Ca 0.00 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 1va8 s THR 42 Cb -0.12 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1va8 s THR 42 CO -0.07 -0.59 -0.03 0.68 -0.69 0.00 0.00 174.62 173.92 1va8 s VAL 43 N -2.43 0.21 0.35 3.82 -7.23 -1.26 -1.38 120.40 112.48 1va8 s VAL 43 Ca 0.49 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 59.38 1va8 s VAL 43 Cb -0.10 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1va8 s VAL 43 CO 0.35 -0.73 0.21 0.00 -0.31 0.00 0.00 175.10 174.63 1va8 s ARG 44 N -2.63 2.47 -0.58 4.82 1.70 0.52 -4.53 118.95 120.71 1va8 s ARG 44 Ca -0.05 -1.51 -0.14 0.00 -0.47 0.00 0.00 55.73 53.57 1va8 s ARG 44 Cb -0.02 -2.26 0.14 0.00 -0.57 0.00 0.00 34.95 32.25 1va8 s ARG 44 CO -0.05 0.05 0.51 -0.80 -1.08 0.00 0.00 175.30 173.93 1va8 s ASN 45 N -3.92 6.15 0.67 -2.89 0.02 -1.26 -2.84 114.94 110.86 1va8 s ASN 45 Ca 0.40 -2.00 -0.09 0.00 -1.02 0.00 0.00 52.86 50.14 1va8 s ASN 45 Cb -0.03 -2.16 0.01 0.00 0.02 0.00 0.00 41.25 39.10 1va8 s ASN 45 CO 0.24 -0.76 1.03 -1.61 0.02 0.00 0.00 177.10 176.02 1va8 s GLU 46 N 1.25 2.85 0.02 -0.60 0.41 0.11 -4.91 118.70 117.83 1va8 s GLU 46 Ca 0.07 0.27 -0.03 0.00 -0.41 0.00 0.00 54.97 54.87 1va8 s GLU 46 Cb -0.26 -2.11 -0.00 0.00 -1.78 0.00 0.00 34.13 29.98 1va8 s GLU 46 CO -0.00 -0.93 0.18 -1.33 -0.49 0.00 0.00 175.26 172.68 1va8 n MET 47 N -2.86 -0.05 -0.73 1.61 2.81 -1.26 -2.54 117.12 114.10 1va8 n MET 47 Ca 0.06 0.18 -0.01 0.00 -1.81 0.00 0.00 57.70 56.12 1va8 n MET 47 Cb 0.57 -0.26 -0.01 0.00 -0.71 0.00 0.00 33.22 32.81 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 -4.15 -0.08 -4.17 7.83 9.92 -1.26 -5.05 116.55 119.59 1va8 n ASP 48 Ca 0.00 -1.59 -0.16 0.00 -0.53 0.00 0.00 54.79 52.52 1va8 n ASP 48 Cb 0.03 -0.03 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1va8 n ASP 48 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1va8 s SER 49 N -0.71 1.49 -0.72 -2.24 0.01 -1.05 -0.87 113.70 109.61 1va8 s SER 49 Ca 0.04 -0.73 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 1va8 s SER 49 Cb 0.05 -0.01 0.19 0.00 0.21 0.00 0.00 66.02 66.45 1va8 s SER 49 CO -0.02 -0.20 0.64 -0.69 0.41 0.00 0.00 173.24 173.38 1va8 s VAL 50 N -1.99 5.16 0.18 3.43 1.01 -1.26 0.08 120.40 127.02 1va8 s VAL 50 Ca 0.02 -2.30 -0.00 0.00 0.00 0.00 0.00 61.98 59.69 1va8 s VAL 50 Cb -0.06 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1va8 s VAL 50 CO 0.01 -0.96 0.36 -0.63 0.00 0.00 0.00 175.10 173.88 1va8 s ILE 51 N 0.49 5.23 0.63 2.22 1.09 -1.13 -1.05 121.20 128.69 1va8 s ILE 51 Ca 0.14 -0.40 -0.18 0.00 -1.10 0.00 0.00 60.65 59.11 1va8 s ILE 51 Cb -0.17 -3.72 -0.02 0.00 -1.06 0.00 0.00 42.46 37.49 1va8 s ILE 51 CO -0.05 -0.13 1.23 -0.63 -0.10 0.00 0.00 174.94 175.25 1va8 s ILE 52 N -1.82 2.44 0.00 2.92 -1.09 0.41 0.19 121.20 124.26 1va8 s ILE 52 Ca 0.38 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1va8 s ILE 52 Cb -0.11 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1va8 s ILE 52 CO 0.29 -0.07 0.00 -1.54 -1.23 0.00 0.00 174.94 172.39 1va8 n SER 53 N -1.87 2.24 -3.67 3.58 3.41 -0.48 -3.65 113.62 113.19 1va8 n SER 53 Ca 0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1va8 n SER 53 Cb 0.49 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.96 1.11 -0.17 4.33 3.52 -1.09 -4.94 118.95 119.75 1va8 s ARG 54 Ca 0.00 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1va8 s ARG 54 Cb 0.00 0.47 0.03 0.00 -1.56 0.00 0.00 34.95 33.89 1va8 s ARG 54 CO 0.00 -0.44 -0.13 0.42 -0.81 0.00 0.00 175.30 174.34 1va8 s ILE 55 N -3.82 1.66 0.36 4.11 -1.09 -1.26 0.14 121.20 121.30 1va8 s ILE 55 Ca 0.05 -0.81 -0.21 0.00 -2.23 0.00 0.00 60.65 57.45 1va8 s ILE 55 Cb 0.02 -1.62 -0.10 0.00 -1.58 0.00 0.00 42.46 39.18 1va8 s ILE 55 CO -0.10 0.36 0.88 -0.69 -1.23 0.00 0.00 174.94 174.17 1va8 s VAL 56 N 1.43 4.42 0.54 2.92 1.01 0.95 -4.95 120.40 126.72 1va8 s VAL 56 Ca 0.03 1.44 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 1va8 s VAL 56 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1va8 s VAL 56 CO -0.10 -0.14 1.04 -0.75 0.00 0.00 0.00 175.10 175.15 1va8 s LYS 57 N -2.77 3.57 0.00 2.72 2.20 -1.26 -3.01 119.74 121.19 1va8 s LYS 57 Ca 0.56 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 1va8 s LYS 57 Cb -0.12 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1va8 s LYS 57 CO 0.17 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1va8 n GLY 58 N -0.78 0.13 3.72 5.54 0.00 -1.26 -4.94 105.19 107.60 1va8 n GLY 58 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 2.77 0.45 -0.02 0.00 -1.16 -4.86 107.32 102.49 1va8 s GLY 59 Ca 0.00 0.30 0.32 0.00 0.00 0.00 0.00 44.72 45.35 1va8 s GLY 59 CO 0.00 1.30 1.59 0.00 0.00 0.00 0.00 173.10 175.99 1va8 h ALA 60 N 6.39 2.84 0.44 3.20 0.00 -1.07 0.91 119.26 131.96 1va8 h ALA 60 Ca -0.42 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1va8 h ALA 60 Cb 1.21 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1va8 h ALA 60 CO 0.74 -1.51 -0.21 0.00 0.00 0.00 0.00 179.25 178.26 1va8 h ALA 61 N 1.59 -0.59 0.17 0.00 0.00 -1.75 -2.68 119.26 116.00 1va8 h ALA 61 Ca 0.87 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.61 1va8 h ALA 61 Cb 2.79 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 20.77 1va8 h ALA 61 CO -0.44 -0.63 -0.40 1.49 0.00 0.00 0.00 179.25 179.27 1va8 h GLU 62 N -0.99 -0.65 -0.36 0.00 4.81 0.37 0.78 114.58 118.54 1va8 h GLU 62 Ca -0.06 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1va8 h GLU 62 Cb 0.56 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1va8 h GLU 62 CO 0.10 -0.43 -0.21 1.63 -0.73 0.00 0.00 179.01 179.36 1va8 n LYS 63 N -5.46 -0.16 0.26 1.92 5.02 0.13 0.19 118.16 120.05 1va8 n LYS 63 Ca -0.08 1.17 0.11 0.00 -2.02 0.00 0.00 58.31 57.49 1va8 n LYS 63 Cb 0.38 -1.73 0.74 0.00 -0.02 0.00 0.00 35.03 34.39 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 0.00 -0.91 4.39 4.64 -1.24 -3.45 113.55 116.98 1va8 h SER 64 Ca 0.06 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.99 1va8 h SER 64 Cb 0.15 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.09 1va8 h SER 64 CO -0.34 0.00 -0.35 0.61 -0.87 0.00 0.00 176.83 175.88 1va8 n GLY 65 N -1.47 1.79 0.00 -0.77 0.00 0.49 -4.79 105.19 100.44 1va8 n GLY 65 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.15 0.00 -4.15 0.99 4.77 -1.21 -4.67 117.00 110.58 1va8 n LEU 66 Ca -0.19 0.48 -0.30 0.00 -0.03 0.00 0.00 56.01 55.97 1va8 n LEU 66 Cb 0.67 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 41.11 1va8 n LEU 66 CO 0.29 -0.01 -0.53 -0.76 -1.33 0.00 0.00 177.39 175.05 1va8 s LEU 67 N -2.95 1.95 0.06 2.23 1.43 -1.26 -4.96 118.68 115.17 1va8 s LEU 67 Ca 0.15 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1va8 s LEU 67 Cb 0.19 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1va8 s LEU 67 CO 0.52 0.10 -0.11 -1.00 0.23 0.00 0.00 176.35 176.09 1va8 s HIS 68 N 0.55 0.94 0.14 0.29 3.76 -1.26 -4.71 115.29 114.99 1va8 s HIS 68 Ca -0.15 -0.48 -0.35 0.00 -0.15 0.00 0.00 55.06 53.93 1va8 s HIS 68 Cb -0.17 -0.54 -0.15 0.00 1.11 0.00 0.00 32.58 32.83 1va8 s HIS 68 CO 0.05 -0.01 1.47 0.39 -0.85 0.00 0.00 174.74 175.79 1va8 n GLU 69 N 1.38 1.76 0.00 1.40 1.02 -1.26 -1.55 120.64 123.39 1va8 n GLU 69 Ca -0.22 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1va8 n GLU 69 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 2.99 1.94 3.77 0.62 0.00 -1.24 -4.91 105.19 108.35 1va8 n GLY 70 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.71 6.25 -0.25 1.61 1.01 -0.60 -4.31 116.67 118.67 1va8 s ASP 71 Ca 0.00 2.61 -0.05 0.00 0.71 0.00 0.00 52.55 55.82 1va8 s ASP 71 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1va8 s ASP 71 CO 0.00 -0.89 0.02 -0.70 0.21 0.00 0.00 175.17 173.81 1va8 s GLU 72 N -2.32 3.27 0.02 8.23 2.12 -1.17 -0.44 118.70 128.41 1va8 s GLU 72 Ca 0.58 -0.71 -0.27 0.00 0.36 0.00 0.00 54.97 54.93 1va8 s GLU 72 Cb -0.37 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1va8 s GLU 72 CO 0.47 -0.30 0.84 0.08 -0.54 0.00 0.00 175.26 175.81 1va8 s VAL 73 N 1.49 4.79 0.04 3.70 1.01 -0.21 -2.83 120.40 128.39 1va8 s VAL 73 Ca 0.04 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1va8 s VAL 73 Cb -0.16 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1va8 s VAL 73 CO -0.00 0.28 0.00 0.18 0.00 0.00 0.00 175.10 175.56 1va8 n LEU 74 N 3.27 0.22 -4.00 3.92 4.77 -1.08 -3.60 117.00 120.49 1va8 n LEU 74 Ca 0.01 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 1va8 n LEU 74 Cb 0.50 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1va8 n LEU 74 CO 0.49 -0.29 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.25 1va8 s GLU 75 N -2.00 0.47 -0.26 3.23 2.02 -1.16 0.19 118.70 121.19 1va8 s GLU 75 Ca 0.00 -0.43 -0.04 0.00 0.02 0.00 0.00 54.97 54.52 1va8 s GLU 75 Cb 0.00 -0.36 0.09 0.00 0.10 0.00 0.00 34.13 33.96 1va8 s GLU 75 CO 0.00 0.09 0.13 0.42 0.02 0.00 0.00 175.26 175.91 1va8 s ILE 76 N -0.66 -0.09 -1.02 -1.63 1.01 0.23 -1.00 121.20 118.04 1va8 s ILE 76 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1va8 s ILE 76 Cb -0.05 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.54 1va8 s ILE 76 CO 0.00 -0.60 0.00 -3.20 0.00 0.00 0.00 174.94 171.14 1va8 n ASN 77 N 5.26 -4.04 0.00 3.58 2.85 -0.60 -2.19 115.26 120.12 1va8 n ASN 77 Ca -0.06 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1va8 n ASN 77 Cb 0.44 -2.58 0.00 0.00 1.24 0.00 0.00 39.78 38.88 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 -1.63 2.68 3.73 8.20 0.00 -1.26 -5.01 105.19 111.90 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 -2.73 3.46 0.71 -0.61 1.09 -0.93 -4.98 121.20 117.22 1va8 s ILE 79 Ca 0.00 1.14 -0.12 0.00 -1.10 0.00 0.00 60.65 60.57 1va8 s ILE 79 Cb 0.00 -3.73 0.02 0.00 -1.06 0.00 0.00 42.46 37.69 1va8 s ILE 79 CO 0.00 0.14 1.08 -0.70 -0.10 0.00 0.00 174.94 175.36 1va8 s GLU 80 N 0.34 2.65 0.00 2.79 2.12 -1.26 0.78 118.70 126.12 1va8 s GLU 80 Ca 0.58 1.15 0.00 0.00 0.36 0.00 0.00 54.97 57.06 1va8 s GLU 80 Cb -0.34 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1va8 s GLU 80 CO 0.34 -1.34 0.00 -0.89 -0.54 0.00 0.00 175.26 172.84 1va8 n ILE 81 N -3.07 0.00 -1.54 -3.70 2.08 0.50 -4.78 119.36 108.85 1va8 n ILE 81 Ca 0.09 0.00 -0.60 0.00 0.56 0.00 0.00 62.75 62.80 1va8 n ILE 81 Cb 0.53 -0.81 -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 -2.56 0.00 0.00 0.38 0.63 -1.18 0.16 116.66 114.10 1va8 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1va8 n ARG 82 Cb 0.25 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.80 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 3.16 2.66 3.18 5.14 0.00 -0.05 -4.97 105.19 114.31 1va8 n GLY 83 Ca 0.26 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.55 -3.74 1.61 5.02 0.43 -4.89 118.16 116.04 1va8 n LYS 84 Ca 0.00 -0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 55.92 1va8 n LYS 84 Cb 0.00 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.49 6.32 0.12 4.39 2.15 -1.26 -4.74 116.67 122.15 1va8 s ASP 85 Ca 0.48 0.23 -0.23 0.00 0.43 0.00 0.00 52.55 53.46 1va8 s ASP 85 Cb -0.10 -1.93 -0.06 0.00 -0.30 0.00 0.00 42.92 40.53 1va8 s ASP 85 CO 0.70 -0.14 1.68 -0.37 -0.17 0.00 0.00 175.17 176.87 1va8 h VAL 86 N 1.07 0.65 -0.41 1.11 -1.51 -1.93 0.16 116.25 115.40 1va8 h VAL 86 Ca -0.51 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.01 1va8 h VAL 86 Cb 1.22 0.65 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 1va8 h VAL 86 CO 0.62 0.00 0.15 -1.13 -1.23 0.00 0.00 177.57 175.98 1va8 h ASN 87 N -0.22 0.18 -0.28 4.19 -0.73 -1.97 0.20 115.58 116.95 1va8 h ASN 87 Ca 0.06 0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.33 1va8 h ASN 87 Cb 0.29 0.02 -0.06 0.00 0.27 0.00 0.00 38.32 38.84 1va8 h ASN 87 CO -0.16 0.14 -0.10 -0.33 -0.37 0.00 0.00 177.43 176.61 1va8 h GLU 88 N 0.32 -0.05 0.30 6.67 4.39 -1.76 0.61 114.58 125.07 1va8 h GLU 88 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1va8 h GLU 88 Cb 0.16 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1va8 h GLU 88 CO -0.18 -0.03 -0.19 0.28 -1.16 0.00 0.00 179.01 177.73 1va8 h VAL 89 N -0.05 0.60 -1.00 3.13 2.07 -0.01 0.80 116.25 121.79 1va8 h VAL 89 Ca 0.14 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.80 1va8 h VAL 89 Cb 0.26 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1va8 h VAL 89 CO -0.32 0.00 0.62 -0.26 0.02 0.00 0.00 177.57 177.64 1va8 h PHE 90 N -0.47 1.12 -0.04 1.57 0.04 -0.05 0.37 116.94 119.47 1va8 h PHE 90 Ca -0.03 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1va8 h PHE 90 Cb 0.39 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1va8 h PHE 90 CO -0.09 0.39 -0.35 0.22 -0.60 0.00 0.00 178.31 177.87 1va8 h ASP 91 N 0.93 0.08 0.16 2.17 3.58 0.79 -1.80 116.42 122.33 1va8 h ASP 91 Ca 0.52 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 1va8 h ASP 91 Cb 0.59 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1va8 h ASP 91 CO -0.30 0.43 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.35 1va8 h LEU 92 N 0.07 -0.19 -0.63 2.28 3.38 0.21 -2.51 115.31 117.92 1va8 h LEU 92 Ca 0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1va8 h LEU 92 Cb 0.66 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 1va8 h LEU 92 CO 0.05 -0.07 -0.51 -0.07 0.09 0.00 0.00 178.44 177.93 1va8 h LEU 93 N -0.35 -1.79 -0.96 1.67 -0.00 -1.05 0.33 115.31 113.15 1va8 h LEU 93 Ca -0.02 0.26 0.12 0.00 -0.00 0.00 0.00 57.88 58.23 1va8 h LEU 93 Cb 0.17 0.77 -0.14 0.00 -0.00 0.00 0.00 40.66 41.46 1va8 h LEU 93 CO 0.04 -0.28 -0.46 -0.24 -0.00 0.00 0.00 178.44 177.50 1va8 n SER 94 N -5.03 -0.79 -0.35 -0.43 2.88 -0.68 0.21 113.62 109.43 1va8 n SER 94 Ca -0.01 1.69 0.04 0.00 -1.33 0.00 0.00 58.87 59.26 1va8 n SER 94 Cb 0.27 -0.31 0.19 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.93 -4.41 -3.46 5.19 -0.37 -3.42 116.42 110.88 1va8 h ASP 95 Ca 0.26 0.03 -0.50 0.00 -0.62 0.00 0.00 57.03 56.19 1va8 h ASP 95 Cb 0.49 -0.17 0.07 0.00 0.18 0.00 0.00 39.33 39.91 1va8 h ASP 95 CO -0.93 0.56 0.41 -0.04 -3.12 0.00 0.00 179.24 176.12 1va8 s MET 96 N -6.02 3.08 0.10 3.56 -1.94 0.57 -5.09 119.30 113.56 1va8 s MET 96 Ca -0.12 0.61 -0.25 0.00 -1.71 0.00 0.00 55.69 54.22 1va8 s MET 96 Cb 0.20 -2.03 0.08 0.00 2.01 0.00 0.00 34.83 35.09 1va8 s MET 96 CO 0.80 -0.91 0.71 -3.38 -0.01 0.00 0.00 175.02 172.23 1va8 s HIS 97 N -3.26 -0.47 0.00 -0.03 -3.43 -1.26 -4.83 115.29 102.01 1va8 s HIS 97 Ca 0.57 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 55.11 1va8 s HIS 97 Cb -0.11 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 1va8 s HIS 97 CO 0.53 -0.74 0.00 0.41 -2.00 0.00 0.00 174.74 172.94 1va8 n GLY 98 N -0.33 -1.78 3.55 -1.38 0.00 0.58 -4.77 105.19 101.07 1va8 n GLY 98 Ca -0.14 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 0.01 2.61 2.01 -1.26 -1.33 115.64 121.05 1va8 s THR 99 Ca 0.00 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.89 1va8 s THR 99 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1va8 s THR 99 CO 0.00 -0.92 0.49 -0.76 -0.69 0.00 0.00 174.62 172.74 1va8 s LEU 100 N 9.33 4.46 -0.62 4.42 1.02 0.38 -4.87 118.68 132.79 1va8 s LEU 100 Ca 0.68 1.06 -0.19 0.00 0.02 0.00 0.00 54.13 55.69 1va8 s LEU 100 Cb -0.11 -2.74 0.10 0.00 0.02 0.00 0.00 46.19 43.46 1va8 s LEU 100 CO 0.15 0.23 0.77 -0.89 0.02 0.00 0.00 176.35 176.64 1va8 s THR 101 N -0.72 4.75 -0.32 5.49 2.01 -1.26 -1.29 115.64 124.29 1va8 s THR 101 Ca 0.27 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.09 1va8 s THR 101 Cb -0.18 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.80 1va8 s THR 101 CO 0.15 -1.20 0.77 -0.36 -0.69 0.00 0.00 174.62 173.29 1va8 s PHE 102 N 2.87 3.18 -0.60 4.92 0.40 -0.21 -1.56 117.98 126.99 1va8 s PHE 102 Ca 0.14 0.73 -0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1va8 s PHE 102 Cb -0.22 -3.23 0.15 0.00 0.51 0.00 0.00 43.02 40.23 1va8 s PHE 102 CO 0.06 -0.59 0.46 0.08 0.70 0.00 0.00 175.22 175.92 1va8 s VAL 103 N 2.95 4.24 0.16 -0.44 1.01 -0.17 0.01 120.40 128.16 1va8 s VAL 103 Ca 0.31 -2.39 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1va8 s VAL 103 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1va8 s VAL 103 CO 0.13 -0.86 0.04 -1.48 0.00 0.00 0.00 175.10 172.93 1va8 s LEU 104 N 0.56 1.90 -0.19 3.92 0.05 -1.13 -2.65 118.68 121.14 1va8 s LEU 104 Ca 0.13 -1.21 -0.05 0.00 0.05 0.00 0.00 54.13 53.04 1va8 s LEU 104 Cb -0.20 0.11 -0.03 0.00 -2.05 0.00 0.00 46.19 44.02 1va8 s LEU 104 CO -0.04 -0.66 0.01 -0.63 -0.55 0.00 0.00 176.35 174.49 1va8 s ILE 105 N -3.84 4.19 -0.30 1.48 1.01 -1.13 -0.22 121.20 122.39 1va8 s ILE 105 Ca 0.26 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 1va8 s ILE 105 Cb 0.07 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1va8 s ILE 105 CO 0.04 0.45 1.35 -2.16 0.00 0.00 0.00 174.94 174.62 1va8 s PRO 106 N 0.71 3.87 -1.21 2.79 0.04 -1.26 -3.06 135.00 136.89 1va8 s PRO 106 Ca 0.01 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.11 1va8 s PRO 106 Cb -0.14 -3.91 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 1va8 s PRO 106 CO 0.02 -1.18 1.90 0.45 0.04 0.00 0.00 177.00 178.23 1va8 s SER 107 N 3.08 5.33 -0.64 6.66 0.15 -1.26 -4.79 113.70 122.23 1va8 s SER 107 Ca 0.59 -1.80 -0.07 0.00 0.70 0.00 0.00 55.95 55.37 1va8 s SER 107 Cb -0.18 -2.59 -0.16 0.00 -1.71 0.00 0.00 66.02 61.38 1va8 s SER 107 CO 0.25 -2.77 2.98 -0.24 1.20 0.00 0.00 173.24 174.65 1va8 n SER 108 N 13.40 5.91 -3.60 5.45 2.88 -1.26 -4.59 113.62 131.81 1va8 n SER 108 Ca 0.45 -2.41 -0.27 0.00 -1.33 0.00 0.00 58.87 55.31 1va8 n SER 108 Cb 0.46 -1.31 -0.10 0.00 -0.75 0.00 0.00 64.21 62.51 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 3.05 3.97 3.66 0.46 0.00 -1.26 -5.08 105.19 109.99 1va8 n GLY 109 Ca 0.51 -2.40 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.62 4.24 -0.50 1.61 0.04 -1.26 -4.99 135.00 132.51 1va8 s PRO 110 Ca 0.32 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 1va8 s PRO 110 Cb 0.06 -3.75 0.10 0.00 0.04 0.00 0.00 34.50 30.95 1va8 s PRO 110 CO -0.11 -0.69 0.44 0.45 0.04 0.00 0.00 177.00 177.13 1va8 s SER 111 N 1.97 6.14 -0.51 6.66 0.15 -1.26 -5.01 113.70 121.85 1va8 s SER 111 Ca 0.55 -1.58 -0.29 0.00 0.70 0.00 0.00 55.95 55.33 1va8 s SER 111 Cb -0.22 -2.19 -0.10 0.00 -1.71 0.00 0.00 66.02 61.80 1va8 s SER 111 CO 0.16 -0.75 2.39 -0.24 1.20 0.00 0.00 173.24 176.00 1va8 n SER 112 N 5.21 2.05 0.00 5.45 2.88 -1.26 -5.34 113.62 122.61 1va8 n SER 112 Ca -0.13 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1va8 n SER 112 Cb 0.42 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1va8 n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42