#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 6.24 -0.30 1.61 0.15 -1.26 -4.88 113.70 115.27 1va8 s SER 2 Ca 0.00 -1.11 -0.06 0.00 0.70 0.00 0.00 55.95 55.47 1va8 s SER 2 Cb 0.00 -2.43 0.19 0.00 -1.71 0.00 0.00 66.02 62.07 1va8 s SER 2 CO 0.00 -1.42 0.91 -0.94 1.20 0.00 0.00 173.24 172.99 1va8 s SER 3 N 3.72 -0.79 0.00 5.45 1.04 -1.26 -5.17 113.70 116.70 1va8 s SER 3 Ca 0.25 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1va8 s SER 3 Cb -0.14 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.49 1va8 s SER 3 CO 0.07 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1va8 n GLY 4 N 5.23 6.15 3.80 7.32 0.00 -1.26 -5.14 105.19 121.29 1va8 n GLY 4 Ca 0.07 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1va8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1va8 s SER 5 N 0.97 3.98 0.05 1.61 1.04 -1.26 -4.99 113.70 115.11 1va8 s SER 5 Ca 0.00 1.12 -0.30 0.00 0.48 0.00 0.00 55.95 57.25 1va8 s SER 5 Cb 0.00 -1.77 -0.05 0.00 0.10 0.00 0.00 66.02 64.30 1va8 s SER 5 CO 0.00 -2.27 1.18 -0.94 0.98 0.00 0.00 173.24 172.18 1va8 s SER 6 N -3.97 7.11 0.10 7.02 1.04 -1.26 -5.01 113.70 118.72 1va8 s SER 6 Ca 0.62 1.97 -0.24 0.00 0.48 0.00 0.00 55.95 58.78 1va8 s SER 6 Cb -0.15 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.46 1va8 s SER 6 CO 0.54 -0.45 0.60 -0.83 0.98 0.00 0.00 173.24 174.07 1va8 s GLY 7 N 1.07 -0.57 0.00 7.32 0.00 -1.26 -5.18 107.32 108.70 1va8 s GLY 7 Ca 0.58 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1va8 s GLY 7 CO 0.29 0.32 0.00 -1.55 0.00 0.00 0.00 173.10 172.15 1va8 n PRO 8 N -0.02 -0.30 -4.01 2.90 -0.04 -1.26 -5.07 135.00 127.20 1va8 n PRO 8 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.03 1va8 n PRO 8 Cb 0.63 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.86 4.94 0.65 0.52 -1.09 -1.26 -5.10 121.20 119.00 1va8 s ILE 9 Ca 0.00 -0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 57.37 1va8 s ILE 9 Cb 0.00 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1va8 s ILE 9 CO 0.00 -0.15 1.05 -0.89 -1.23 0.00 0.00 174.94 173.71 1va8 s THR 10 N -1.81 4.22 -0.59 2.92 2.01 -1.26 -4.90 115.64 116.23 1va8 s THR 10 Ca 0.33 0.78 -0.26 0.00 0.31 0.00 0.00 61.69 62.85 1va8 s THR 10 Cb -0.10 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 1va8 s THR 10 CO 0.26 -0.89 2.29 1.51 -0.69 0.00 0.00 174.62 177.11 1va8 s ASP 11 N -3.73 4.50 -0.00 3.53 -4.77 -1.26 -4.74 116.67 110.20 1va8 s ASP 11 Ca 0.58 0.66 0.07 0.00 -3.30 0.00 0.00 52.55 50.56 1va8 s ASP 11 Cb -0.13 -2.52 0.20 0.00 -1.09 0.00 0.00 42.92 39.38 1va8 s ASP 11 CO 0.51 -2.99 1.15 -1.84 0.70 0.00 0.00 175.17 172.71 1va8 n GLU 12 N 9.00 1.54 -3.26 2.11 0.28 -1.26 -4.44 120.64 124.61 1va8 n GLU 12 Ca 0.36 -0.81 -0.41 0.00 -0.16 0.00 0.00 57.16 56.15 1va8 n GLU 12 Cb 0.52 -1.19 -0.02 0.00 1.43 0.00 0.00 31.44 32.18 1va8 n GLU 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1va8 n ARG 13 N 0.15 3.69 -0.55 3.44 1.74 -1.26 -4.48 116.66 119.39 1va8 n ARG 13 Ca 0.07 -4.53 -0.00 0.00 -0.77 0.00 0.00 57.85 52.62 1va8 n ARG 13 Cb 0.20 -2.48 -0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1va8 n VAL 14 N 1.82 0.00 -3.17 1.55 0.31 -1.26 -5.12 118.33 112.46 1va8 n VAL 14 Ca 0.25 -0.03 -0.28 0.00 -0.01 0.00 0.00 64.34 64.27 1va8 n VAL 14 Cb 0.36 0.27 -0.02 0.00 -0.91 0.00 0.00 33.84 33.54 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 3.49 0.00 3.52 -0.85 -1.26 -5.11 117.35 117.15 1va8 s TYR 15 Ca 0.01 0.67 0.00 0.00 -0.52 0.00 0.00 57.07 57.23 1va8 s TYR 15 Cb 0.01 -2.14 0.00 0.00 0.38 0.00 0.00 41.96 40.21 1va8 s TYR 15 CO -0.01 0.06 0.00 0.39 -1.52 0.00 0.00 175.55 174.47 1va8 n GLU 16 N -1.34 3.59 -1.54 -3.49 1.02 -1.26 -4.89 120.64 112.73 1va8 n GLU 16 Ca -0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 1va8 n GLU 16 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.89 1va8 n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1va8 n SER 17 N 0.00 1.63 0.22 1.62 7.64 -1.26 -4.73 113.62 118.73 1va8 n SER 17 Ca 0.00 -0.62 0.06 0.00 1.01 0.00 0.00 58.87 59.31 1va8 n SER 17 Cb 0.00 -1.43 0.49 0.00 -1.01 0.00 0.00 64.21 62.26 1va8 n SER 17 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1va8 h ILE 18 N 7.71 1.06 0.00 0.44 1.08 -2.00 -3.47 117.51 122.33 1va8 h ILE 18 Ca -0.14 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1va8 h ILE 18 Cb 1.21 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 1va8 h ILE 18 CO 1.19 0.24 0.00 0.61 -0.69 0.00 0.00 178.15 179.50 1va8 n GLY 19 N -0.73 1.94 0.37 5.37 0.00 -1.26 -4.64 105.19 106.24 1va8 n GLY 19 Ca -0.02 -0.55 0.19 0.00 0.00 0.00 0.00 46.02 45.64 1va8 n GLY 19 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1va8 h HIS 20 N 0.00 0.04 -0.49 1.61 6.17 -1.91 -3.40 115.15 117.18 1va8 h HIS 20 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1va8 h HIS 20 Cb 0.00 -0.01 -0.00 0.00 2.52 0.00 0.00 27.41 29.92 1va8 h HIS 20 CO 0.00 0.02 -0.00 0.66 0.71 0.00 0.00 177.93 179.31 1va8 n TYR 21 N -4.40 -1.26 0.00 5.26 4.02 -1.26 -4.43 117.16 115.10 1va8 n TYR 21 Ca 0.09 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1va8 n TYR 21 Cb 0.56 0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 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 -0.02 -3.23 2.94 2.72 0.00 -1.26 -4.58 105.19 101.76 1va8 n GLY 22 Ca 0.00 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 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 2.33 3.84 -0.02 0.00 -1.26 -4.70 105.19 105.38 1va8 n GLY 23 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 1va8 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1va8 s GLU 24 N 4.65 1.92 -0.12 1.61 2.02 -1.26 -5.16 118.70 122.36 1va8 s GLU 24 Ca 0.41 -1.14 0.01 0.00 0.02 0.00 0.00 54.97 54.26 1va8 s GLU 24 Cb 0.10 0.60 0.02 0.00 0.10 0.00 0.00 34.13 34.95 1va8 s GLU 24 CO 0.07 -0.89 -0.13 0.95 0.02 0.00 0.00 175.26 175.27 1va8 s THR 25 N -3.22 1.44 0.18 3.63 -4.23 -1.26 -4.69 115.64 107.49 1va8 s THR 25 Ca 0.13 -0.57 0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1va8 s THR 25 Cb -0.05 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 1va8 s THR 25 CO 0.08 0.43 -0.16 0.68 -0.54 0.00 0.00 174.62 175.12 1va8 s VAL 26 N 1.30 2.82 -0.29 2.29 -7.23 -1.26 -4.83 120.40 113.20 1va8 s VAL 26 Ca -0.00 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1va8 s VAL 26 Cb -0.14 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1va8 s VAL 26 CO -0.06 -0.11 0.02 -0.75 -0.31 0.00 0.00 175.10 173.89 1va8 s LYS 27 N -2.74 2.81 -0.01 4.82 2.20 -0.59 -4.98 119.74 121.25 1va8 s LYS 27 Ca 0.23 -1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1va8 s LYS 27 Cb -0.08 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1va8 s LYS 27 CO 0.13 -0.49 0.98 0.42 -0.36 0.00 0.00 175.35 176.03 1va8 s ILE 28 N 1.38 4.86 -0.12 5.43 1.09 -1.26 -2.83 121.20 129.75 1va8 s ILE 28 Ca -0.00 2.05 -0.01 0.00 -1.10 0.00 0.00 60.65 61.58 1va8 s ILE 28 Cb -0.18 -4.31 0.03 0.00 -1.06 0.00 0.00 42.46 36.94 1va8 s ILE 28 CO -0.01 0.14 -0.03 0.68 -0.10 0.00 0.00 174.94 175.63 1va8 s VAL 29 N 1.13 0.73 -0.41 2.92 -7.23 0.14 -4.97 120.40 112.71 1va8 s VAL 29 Ca 0.51 -0.23 -0.20 0.00 -1.81 0.00 0.00 61.98 60.26 1va8 s VAL 29 Cb -0.21 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 35.86 1va8 s VAL 29 CO 0.27 0.21 0.58 -0.13 -0.31 0.00 0.00 175.10 175.71 1va8 s ARG 30 N 1.82 3.36 -0.12 4.82 0.52 -1.26 -0.09 118.95 128.00 1va8 s ARG 30 Ca 0.03 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 1va8 s ARG 30 Cb -0.13 -3.91 -0.04 0.00 0.52 0.00 0.00 34.95 31.39 1va8 s ARG 30 CO -0.07 -0.88 0.04 0.42 0.02 0.00 0.00 175.30 174.84 1va8 s ILE 31 N 2.60 4.66 -0.26 1.52 1.01 -0.28 -4.89 121.20 125.56 1va8 s ILE 31 Ca 0.20 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.54 1va8 s ILE 31 Cb -0.15 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1va8 s ILE 31 CO 0.16 0.57 0.67 -1.61 0.00 0.00 0.00 174.94 174.73 1va8 s GLU 32 N -0.53 4.10 0.05 2.79 2.02 -1.26 -0.60 118.70 125.27 1va8 s GLU 32 Ca 0.10 0.60 0.07 0.00 0.02 0.00 0.00 54.97 55.76 1va8 s GLU 32 Cb -0.12 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1va8 s GLU 32 CO 0.02 -0.45 -0.20 0.21 0.02 0.00 0.00 175.26 174.86 1va8 s LYS 33 N 2.59 1.27 0.54 1.61 2.20 -0.67 -4.89 119.74 122.38 1va8 s LYS 33 Ca 0.28 -0.96 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1va8 s LYS 33 Cb -0.15 -1.40 0.03 0.00 -1.51 0.00 0.00 37.83 34.80 1va8 s LYS 33 CO 0.09 0.35 0.76 0.00 -0.36 0.00 0.00 175.35 176.18 1va8 s ALA 34 N -0.88 3.92 -2.02 3.13 0.00 -1.26 0.20 121.76 124.85 1va8 s ALA 34 Ca 0.06 -1.33 0.16 0.00 0.00 0.00 0.00 51.96 50.86 1va8 s ALA 34 Cb -0.09 -2.06 0.93 0.00 0.00 0.00 0.00 23.12 21.91 1va8 s ALA 34 CO 0.02 -0.70 1.61 0.54 0.00 0.00 0.00 175.76 177.22 1va8 n ARG 35 N -2.30 1.05 -0.47 0.00 1.74 -1.26 -3.00 116.66 112.42 1va8 n ARG 35 Ca 0.08 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1va8 n ARG 35 Cb 0.60 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 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 -0.67 0.00 -4.37 0.55 2.03 -1.26 -5.08 116.55 107.76 1va8 n ASP 36 Ca 0.12 -1.61 -0.34 0.00 0.52 0.00 0.00 54.79 53.48 1va8 n ASP 36 Cb 0.07 -0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.21 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 3.38 0.46 5.18 -1.09 -1.16 -5.10 121.20 122.87 1va8 s ILE 37 Ca 0.00 -0.52 -0.21 0.00 -2.23 0.00 0.00 60.65 57.69 1va8 s ILE 37 Cb 0.00 -2.49 -0.09 0.00 -1.58 0.00 0.00 42.46 38.31 1va8 s ILE 37 CO 0.00 0.47 1.04 -2.16 -1.23 0.00 0.00 174.94 173.06 1va8 s PRO 38 N 0.90 3.89 0.07 2.79 0.04 -1.26 -4.45 135.00 136.99 1va8 s PRO 38 Ca -0.01 1.40 -0.35 0.00 0.04 0.00 0.00 61.00 62.07 1va8 s PRO 38 Cb -0.15 -2.20 -0.19 0.00 0.04 0.00 0.00 34.50 32.00 1va8 s PRO 38 CO 0.01 -0.36 1.59 1.25 0.04 0.00 0.00 177.00 179.53 1va8 h LEU 39 N 1.79 -1.05 -0.81 -3.56 5.85 -1.97 -3.19 115.31 112.37 1va8 h LEU 39 Ca -0.49 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1va8 h LEU 39 Cb 1.22 0.30 0.01 0.00 0.37 0.00 0.00 40.66 42.56 1va8 h LEU 39 CO 0.60 -0.67 -0.05 0.61 -0.34 0.00 0.00 178.44 178.59 1va8 n GLY 40 N -1.57 0.77 2.91 3.75 0.00 -1.26 -0.53 105.19 109.27 1va8 n GLY 40 Ca -0.14 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1va8 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va8 s ALA 41 N -2.88 -0.36 0.33 4.61 0.00 -1.26 0.89 121.76 123.09 1va8 s ALA 41 Ca 0.04 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.62 1va8 s ALA 41 Cb -0.02 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 22.09 1va8 s ALA 41 CO 0.04 -0.65 0.66 0.99 0.00 0.00 0.00 175.76 176.81 1va8 s THR 42 N 2.36 4.87 0.05 0.00 2.01 0.35 -4.94 115.64 120.34 1va8 s THR 42 Ca 0.02 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1va8 s THR 42 Cb -0.12 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1va8 s THR 42 CO -0.08 -0.33 -0.04 0.68 -0.69 0.00 0.00 174.62 174.17 1va8 s VAL 43 N -2.13 0.30 0.29 3.82 -7.23 -1.26 -1.21 120.40 112.98 1va8 s VAL 43 Ca 0.49 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1va8 s VAL 43 Cb -0.11 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 1va8 s VAL 43 CO 0.27 -0.78 0.14 0.00 -0.31 0.00 0.00 175.10 174.42 1va8 s ARG 44 N -2.99 2.59 -0.55 4.82 1.70 0.32 -4.61 118.95 120.22 1va8 s ARG 44 Ca -0.00 -1.31 -0.18 0.00 -0.47 0.00 0.00 55.73 53.77 1va8 s ARG 44 Cb 0.01 -2.35 0.10 0.00 -0.57 0.00 0.00 34.95 32.14 1va8 s ARG 44 CO -0.06 0.27 0.60 1.21 -1.08 0.00 0.00 175.30 176.25 1va8 s ASN 45 N -3.82 6.19 0.56 -2.89 3.04 -1.26 -2.84 114.94 113.91 1va8 s ASN 45 Ca 0.35 -1.45 -0.04 0.00 0.04 0.00 0.00 52.86 51.76 1va8 s ASN 45 Cb -0.06 -2.26 0.01 0.00 -1.54 0.00 0.00 41.25 37.39 1va8 s ASN 45 CO 0.23 -0.96 0.85 -1.61 -3.04 0.00 0.00 177.10 172.57 1va8 s GLU 46 N 2.26 2.95 0.00 0.43 0.41 0.87 -4.92 118.70 120.71 1va8 s GLU 46 Ca 0.09 -0.11 -0.00 0.00 -0.41 0.00 0.00 54.97 54.53 1va8 s GLU 46 Cb -0.25 -2.34 -0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1va8 s GLU 46 CO 0.06 -0.60 0.02 -1.33 -0.49 0.00 0.00 175.26 172.92 1va8 n MET 47 N -2.47 -0.00 -0.73 1.61 2.81 -1.26 -2.45 117.12 114.62 1va8 n MET 47 Ca 0.04 0.02 -0.01 0.00 -1.81 0.00 0.00 57.70 55.93 1va8 n MET 47 Cb 0.58 -0.02 -0.02 0.00 -0.71 0.00 0.00 33.22 33.05 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 -4.01 -0.16 -4.16 7.83 8.00 -1.26 -5.02 116.55 117.77 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 0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 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 -0.64 1.42 -0.73 -2.24 0.01 -1.03 -1.53 113.70 108.97 1va8 s SER 49 Ca 0.03 -0.74 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 1va8 s SER 49 Cb 0.04 0.00 0.19 0.00 0.21 0.00 0.00 66.02 66.46 1va8 s SER 49 CO -0.02 -0.22 0.64 -0.69 0.41 0.00 0.00 173.24 173.36 1va8 s VAL 50 N -2.09 5.10 0.07 3.43 1.01 -1.26 -0.09 120.40 126.58 1va8 s VAL 50 Ca 0.02 -2.39 -0.09 0.00 0.00 0.00 0.00 61.98 59.52 1va8 s VAL 50 Cb -0.05 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1va8 s VAL 50 CO 0.00 -0.96 0.38 -0.63 0.00 0.00 0.00 175.10 173.89 1va8 s ILE 51 N 0.39 5.13 0.55 2.22 1.09 -1.13 -1.34 121.20 128.12 1va8 s ILE 51 Ca 0.15 0.37 -0.22 0.00 -1.10 0.00 0.00 60.65 59.86 1va8 s ILE 51 Cb -0.16 -3.63 -0.05 0.00 -1.06 0.00 0.00 42.46 37.57 1va8 s ILE 51 CO -0.06 0.28 1.36 -0.38 -0.10 0.00 0.00 174.94 176.04 1va8 n ILE 52 N 0.86 3.93 -0.01 2.92 2.08 0.36 0.12 119.36 129.63 1va8 n ILE 52 Ca -0.08 -0.50 -0.01 0.00 0.56 0.00 0.00 62.75 62.72 1va8 n ILE 52 Cb 0.52 -1.67 -0.00 0.00 -0.75 0.00 0.00 39.64 37.74 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 -1.08 2.28 -3.70 4.38 3.41 -0.35 -3.27 113.62 115.30 1va8 n SER 53 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 1va8 n SER 53 Cb 0.45 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.02 0.98 -0.14 4.33 3.52 -0.96 -4.92 118.95 119.74 1va8 s ARG 54 Ca -0.02 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1va8 s ARG 54 Cb 0.00 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1va8 s ARG 54 CO 0.02 -0.36 -0.15 0.42 -0.81 0.00 0.00 175.30 174.42 1va8 s ILE 55 N -3.65 1.59 0.27 4.11 -1.09 -1.26 0.13 121.20 121.30 1va8 s ILE 55 Ca 0.02 -0.66 -0.25 0.00 -2.23 0.00 0.00 60.65 57.53 1va8 s ILE 55 Cb 0.02 -1.48 -0.09 0.00 -1.58 0.00 0.00 42.46 39.33 1va8 s ILE 55 CO -0.11 0.46 0.87 -0.69 -1.23 0.00 0.00 174.94 174.25 1va8 s VAL 56 N 1.31 4.30 0.21 2.92 1.01 0.26 -4.94 120.40 125.46 1va8 s VAL 56 Ca 0.01 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1va8 s VAL 56 Cb -0.13 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 1va8 s VAL 56 CO -0.08 0.25 0.98 -0.75 0.00 0.00 0.00 175.10 175.50 1va8 s LYS 57 N -1.81 4.77 0.00 2.72 2.36 -1.26 -3.01 119.74 123.51 1va8 s LYS 57 Ca 0.45 1.54 0.00 0.00 -2.55 0.00 0.00 55.97 55.42 1va8 s LYS 57 Cb -0.20 -3.29 0.00 0.00 -1.05 0.00 0.00 37.83 33.29 1va8 s LYS 57 CO 0.24 0.37 0.00 0.41 1.55 0.00 0.00 175.35 177.92 1va8 n GLY 58 N 1.68 0.83 3.80 5.54 0.00 -1.26 -5.03 105.19 110.76 1va8 n GLY 58 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1va8 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1va8 s GLY 59 N -1.80 2.69 0.53 -0.02 0.00 -1.16 -4.82 107.32 102.74 1va8 s GLY 59 Ca 0.00 0.35 0.34 0.00 0.00 0.00 0.00 44.72 45.41 1va8 s GLY 59 CO 0.00 0.74 1.82 0.00 0.00 0.00 0.00 173.10 175.66 1va8 h ALA 60 N 3.20 3.01 0.34 3.20 0.00 -0.80 0.77 119.26 128.98 1va8 h ALA 60 Ca -0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1va8 h ALA 60 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1va8 h ALA 60 CO 0.65 -1.34 -0.16 0.00 0.00 0.00 0.00 179.25 178.39 1va8 h ALA 61 N 1.45 -0.46 -0.17 0.00 0.00 -1.74 -2.19 119.26 116.15 1va8 h ALA 61 Ca 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1va8 h ALA 61 Cb 2.12 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1va8 h ALA 61 CO -0.03 -0.59 0.07 1.49 0.00 0.00 0.00 179.25 180.19 1va8 h GLU 62 N -0.80 0.26 -0.13 0.00 4.81 -0.73 0.31 114.58 118.30 1va8 h GLU 62 Ca -0.05 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1va8 h GLU 62 Cb 0.52 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1va8 h GLU 62 CO 0.08 0.33 -0.15 0.87 -0.73 0.00 0.00 179.01 179.41 1va8 h LYS 63 N 0.12 -0.09 -0.26 1.92 1.57 0.32 -1.71 116.57 118.44 1va8 h LYS 63 Ca 0.06 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1va8 h LYS 63 Cb 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1va8 h LYS 63 CO -0.00 -0.06 0.09 0.66 -0.57 0.00 0.00 179.45 179.56 1va8 h SER 64 N -0.09 0.09 -1.32 0.86 4.64 -1.39 -3.47 113.55 112.86 1va8 h SER 64 Ca 0.02 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1va8 h SER 64 Cb 0.16 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1va8 h SER 64 CO -0.18 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 1va8 n GLY 65 N -1.19 0.74 0.10 -0.77 0.00 0.11 -4.97 105.19 99.21 1va8 n GLY 65 Ca -0.01 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.66 0.76 -4.17 0.99 4.77 -1.22 -4.95 117.00 112.53 1va8 n LEU 66 Ca 0.00 -0.67 -0.32 0.00 -0.03 0.00 0.00 56.01 54.99 1va8 n LEU 66 Cb 0.46 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.38 1va8 n LEU 66 CO 0.00 0.16 -0.54 -0.76 -1.33 0.00 0.00 177.39 174.92 1va8 s LEU 67 N -1.75 2.07 0.09 2.23 1.43 -1.26 -4.97 118.68 116.53 1va8 s LEU 67 Ca 0.05 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1va8 s LEU 67 Cb 0.05 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1va8 s LEU 67 CO 0.21 0.09 -0.09 -1.00 0.23 0.00 0.00 176.35 175.79 1va8 s HIS 68 N 0.73 0.99 0.10 0.29 3.76 -1.26 -4.75 115.29 115.15 1va8 s HIS 68 Ca -0.10 -0.70 -0.31 0.00 -0.15 0.00 0.00 55.06 53.80 1va8 s HIS 68 Cb -0.16 -0.55 -0.09 0.00 1.11 0.00 0.00 32.58 32.89 1va8 s HIS 68 CO 0.00 -0.04 1.77 -1.21 -0.85 0.00 0.00 174.74 174.42 1va8 s GLU 69 N -2.95 4.16 0.00 1.40 2.02 -1.26 -1.88 118.70 120.19 1va8 s GLU 69 Ca 0.06 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.55 1va8 s GLU 69 Cb -0.01 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1va8 s GLU 69 CO -0.01 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.87 1va8 n GLY 70 N 4.16 0.82 3.73 -1.39 0.00 -1.20 -4.90 105.19 106.41 1va8 n GLY 70 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.68 7.43 -0.18 1.61 1.11 -0.79 -4.06 116.67 120.12 1va8 s ASP 71 Ca 0.00 1.72 -0.09 0.00 0.18 0.00 0.00 52.55 54.36 1va8 s ASP 71 Cb 0.00 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 1va8 s ASP 71 CO 0.00 -0.07 0.12 -0.70 1.18 0.00 0.00 175.17 175.71 1va8 s GLU 72 N 0.07 4.00 -0.09 8.23 2.12 -1.12 -0.49 118.70 131.42 1va8 s GLU 72 Ca 0.46 -0.22 -0.07 0.00 0.36 0.00 0.00 54.97 55.50 1va8 s GLU 72 Cb -0.23 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1va8 s GLU 72 CO 0.28 0.40 0.17 0.08 -0.54 0.00 0.00 175.26 175.65 1va8 s VAL 73 N 0.06 5.47 0.00 3.70 1.01 -0.45 -1.90 120.40 128.29 1va8 s VAL 73 Ca 0.09 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1va8 s VAL 73 Cb -0.11 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1va8 s VAL 73 CO -0.00 0.55 0.00 0.18 0.00 0.00 0.00 175.10 175.83 1va8 n LEU 74 N 1.74 0.56 -3.92 3.92 4.77 -1.01 -4.01 117.00 119.05 1va8 n LEU 74 Ca -0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 1va8 n LEU 74 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1va8 n LEU 74 CO 0.34 -0.04 -0.25 -1.61 -1.33 0.00 0.00 177.39 174.50 1va8 s GLU 75 N -1.89 0.41 -0.19 3.23 2.02 -1.22 0.19 118.70 121.25 1va8 s GLU 75 Ca 0.00 -0.49 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 1va8 s GLU 75 Cb 0.00 0.16 0.08 0.00 0.10 0.00 0.00 34.13 34.48 1va8 s GLU 75 CO 0.00 -0.09 0.18 0.42 0.02 0.00 0.00 175.26 175.79 1va8 s ILE 76 N -1.43 -0.24 -0.26 -1.63 1.01 0.28 -1.23 121.20 117.69 1va8 s ILE 76 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1va8 s ILE 76 Cb -0.09 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1va8 s ILE 76 CO 0.00 -0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.30 1va8 n ASN 77 N 5.31 -5.10 0.00 3.58 4.13 -0.21 -1.13 115.26 121.85 1va8 n ASN 77 Ca -0.06 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1va8 n ASN 77 Cb 0.49 -2.81 0.00 0.00 -1.54 0.00 0.00 39.78 35.92 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 -0.30 1.62 3.74 7.41 0.00 -1.26 -4.94 105.19 111.46 1va8 n GLY 78 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1va8 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va8 s ILE 79 N -1.82 3.35 0.32 -0.61 1.09 -0.28 -4.78 121.20 118.48 1va8 s ILE 79 Ca 0.00 1.14 -0.27 0.00 -1.10 0.00 0.00 60.65 60.41 1va8 s ILE 79 Cb 0.00 -3.73 -0.09 0.00 -1.06 0.00 0.00 42.46 37.58 1va8 s ILE 79 CO 0.00 0.18 1.06 -0.70 -0.10 0.00 0.00 174.94 175.39 1va8 s GLU 80 N -0.26 4.47 -0.03 2.79 2.12 -1.26 1.00 118.70 127.53 1va8 s GLU 80 Ca 0.54 1.66 0.07 0.00 0.36 0.00 0.00 54.97 57.61 1va8 s GLU 80 Cb -0.35 -2.94 -0.11 0.00 0.26 0.00 0.00 34.13 30.99 1va8 s GLU 80 CO 0.38 0.10 0.12 -0.89 -0.54 0.00 0.00 175.26 174.44 1va8 n ILE 81 N 0.72 0.15 -1.69 -3.70 2.08 0.50 -4.79 119.36 112.63 1va8 n ILE 81 Ca 0.01 -0.21 -0.51 0.00 0.56 0.00 0.00 62.75 62.60 1va8 n ILE 81 Cb 0.47 -0.02 -0.05 0.00 -0.75 0.00 0.00 39.64 39.29 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 -1.91 1.92 0.00 0.38 3.00 -1.14 -0.97 116.66 117.94 1va8 n ARG 82 Ca -0.04 0.70 0.00 0.00 -0.00 0.00 0.00 57.85 58.51 1va8 n ARG 82 Cb 0.36 -2.52 0.00 0.00 0.00 0.00 0.00 32.46 30.30 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 4.39 1.82 3.69 5.14 0.00 -0.58 -4.96 105.19 114.69 1va8 n GLY 83 Ca 0.24 -0.30 -0.67 0.00 0.00 0.00 0.00 46.02 45.29 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 0.01 -0.53 1.61 5.02 -0.14 -4.85 118.16 119.28 1va8 n LYS 84 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1va8 n LYS 84 Cb 0.00 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.72 1va8 n LYS 84 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1va8 n ASP 85 N 4.40 -2.58 -0.12 4.39 2.03 -1.26 -4.67 116.55 118.75 1va8 n ASP 85 Ca 0.34 -0.29 -0.11 0.00 0.52 0.00 0.00 54.79 55.25 1va8 n ASP 85 Cb -0.06 -1.01 -0.02 0.00 -0.72 0.00 0.00 41.12 39.30 1va8 n ASP 85 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1va8 h VAL 86 N -2.58 1.25 -0.21 5.18 -1.51 -1.91 -2.08 116.25 114.39 1va8 h VAL 86 Ca -0.51 -0.94 -0.00 0.00 -1.23 0.00 0.00 66.70 64.02 1va8 h VAL 86 Cb 1.27 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1va8 h VAL 86 CO 0.37 0.31 0.13 0.78 -1.23 0.00 0.00 177.57 177.92 1va8 h ASN 87 N 0.40 0.26 -0.41 4.19 -0.26 -1.98 0.93 115.58 118.71 1va8 h ASN 87 Ca 0.10 -0.06 0.09 0.00 -0.56 0.00 0.00 56.30 55.87 1va8 h ASN 87 Cb 0.43 -0.07 -0.09 0.00 -1.06 0.00 0.00 38.32 37.54 1va8 h ASN 87 CO 0.02 0.24 -0.18 -0.33 -1.06 0.00 0.00 177.43 176.11 1va8 h GLU 88 N 0.25 -0.10 0.59 0.81 4.39 -1.86 1.10 114.58 119.77 1va8 h GLU 88 Ca 0.08 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1va8 h GLU 88 Cb 0.03 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1va8 h GLU 88 CO -0.01 -0.06 -0.28 0.28 -1.16 0.00 0.00 179.01 177.77 1va8 h VAL 89 N -0.10 0.41 -0.41 3.13 2.07 -1.08 0.26 116.25 120.54 1va8 h VAL 89 Ca 0.20 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.73 1va8 h VAL 89 Cb 0.41 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1va8 h VAL 89 CO -0.47 0.01 -0.16 -0.26 0.02 0.00 0.00 177.57 176.70 1va8 h PHE 90 N -0.83 -0.39 -0.38 1.57 0.04 -0.12 0.30 116.94 117.12 1va8 h PHE 90 Ca -0.08 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1va8 h PHE 90 Cb 0.62 0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1va8 h PHE 90 CO -0.03 -0.24 0.20 -0.44 -0.60 0.00 0.00 178.31 177.20 1va8 h ASP 91 N -0.08 0.47 0.07 2.17 3.32 0.14 -0.61 116.42 121.89 1va8 h ASP 91 Ca 0.20 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1va8 h ASP 91 Cb 0.39 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1va8 h ASP 91 CO -0.47 0.39 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.34 1va8 h LEU 92 N 0.53 -0.08 -0.60 1.55 3.38 0.29 -1.95 115.31 118.43 1va8 h LEU 92 Ca 0.14 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1va8 h LEU 92 Cb 0.04 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 1va8 h LEU 92 CO -0.02 -0.05 -0.57 -0.07 0.09 0.00 0.00 178.44 177.82 1va8 h LEU 93 N -0.11 -1.96 -0.91 1.67 -0.00 -0.64 0.23 115.31 113.59 1va8 h LEU 93 Ca -0.01 0.27 0.15 0.00 -0.00 0.00 0.00 57.88 58.29 1va8 h LEU 93 Cb 0.07 0.83 -0.15 0.00 -0.00 0.00 0.00 40.66 41.41 1va8 h LEU 93 CO 0.02 -0.35 -0.33 -0.24 -0.00 0.00 0.00 178.44 177.53 1va8 n SER 94 N -5.34 -0.55 -0.18 -0.43 2.88 -0.25 0.19 113.62 109.96 1va8 n SER 94 Ca -0.02 1.58 -0.06 0.00 -1.33 0.00 0.00 58.87 59.03 1va8 n SER 94 Cb 0.32 -0.38 0.03 0.00 -0.75 0.00 0.00 64.21 63.42 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 -4.29 -3.46 3.58 0.12 -3.43 116.42 109.51 1va8 h ASP 95 Ca 0.33 -0.01 -0.48 0.00 0.42 0.00 0.00 57.03 57.29 1va8 h ASP 95 Cb 0.56 -0.14 0.11 0.00 1.72 0.00 0.00 39.33 41.59 1va8 h ASP 95 CO -0.90 0.41 0.34 -0.04 -2.88 0.00 0.00 179.24 176.16 1va8 s MET 96 N -6.15 2.00 0.30 0.28 -1.94 0.52 -5.08 119.30 109.23 1va8 s MET 96 Ca -0.13 0.59 -0.20 0.00 -1.71 0.00 0.00 55.69 54.25 1va8 s MET 96 Cb 0.12 -1.91 0.05 0.00 2.01 0.00 0.00 34.83 35.10 1va8 s MET 96 CO 0.74 -1.67 0.82 -3.38 -0.01 0.00 0.00 175.02 171.52 1va8 s HIS 97 N -3.18 -0.03 0.00 -0.03 -3.43 -1.26 -4.84 115.29 102.53 1va8 s HIS 97 Ca 0.61 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.38 1va8 s HIS 97 Cb -0.14 0.75 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 1va8 s HIS 97 CO 0.54 -1.29 0.00 0.41 -2.00 0.00 0.00 174.74 172.40 1va8 n GLY 98 N -0.52 -1.77 3.55 -1.38 0.00 0.52 -4.62 105.19 100.99 1va8 n GLY 98 Ca -0.06 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 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 3.32 0.09 2.61 2.01 -1.26 -1.67 115.64 120.74 1va8 s THR 99 Ca 0.00 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 1va8 s THR 99 Cb 0.00 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 1va8 s THR 99 CO 0.00 -0.78 0.50 -0.76 -0.69 0.00 0.00 174.62 172.89 1va8 s LEU 100 N 9.85 4.41 -0.59 4.42 1.02 0.23 -4.87 118.68 133.14 1va8 s LEU 100 Ca 0.72 1.05 -0.18 0.00 0.02 0.00 0.00 54.13 55.74 1va8 s LEU 100 Cb -0.12 -3.00 0.11 0.00 0.02 0.00 0.00 46.19 43.20 1va8 s LEU 100 CO 0.17 0.20 0.68 -0.89 0.02 0.00 0.00 176.35 176.52 1va8 s THR 101 N -1.30 4.91 -0.29 5.49 2.01 -1.26 -1.13 115.64 124.07 1va8 s THR 101 Ca 0.32 -1.13 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 1va8 s THR 101 Cb -0.16 -4.47 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 1va8 s THR 101 CO 0.18 -1.09 0.72 -0.36 -0.69 0.00 0.00 174.62 173.38 1va8 s PHE 102 N 2.43 3.23 -0.63 4.92 0.40 0.87 -1.04 117.98 128.16 1va8 s PHE 102 Ca 0.10 0.77 -0.09 0.00 -0.60 0.00 0.00 56.93 57.11 1va8 s PHE 102 Cb -0.25 -3.07 0.16 0.00 0.51 0.00 0.00 43.02 40.37 1va8 s PHE 102 CO 0.05 -0.48 0.51 0.08 0.70 0.00 0.00 175.22 176.08 1va8 s VAL 103 N 2.77 4.54 0.10 -0.44 1.01 -0.36 0.29 120.40 128.30 1va8 s VAL 103 Ca 0.29 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.95 1va8 s VAL 103 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1va8 s VAL 103 CO 0.11 -0.89 -0.04 -1.48 0.00 0.00 0.00 175.10 172.80 1va8 s LEU 104 N 0.58 2.40 -0.22 3.92 0.05 -1.13 -2.39 118.68 121.89 1va8 s LEU 104 Ca 0.13 -1.04 -0.08 0.00 0.05 0.00 0.00 54.13 53.19 1va8 s LEU 104 Cb -0.20 0.03 -0.04 0.00 -2.05 0.00 0.00 46.19 43.94 1va8 s LEU 104 CO -0.04 -0.53 0.08 -0.63 -0.55 0.00 0.00 176.35 174.68 1va8 s ILE 105 N -3.74 4.61 -0.27 1.48 1.01 -0.80 -1.55 121.20 121.95 1va8 s ILE 105 Ca 0.13 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1va8 s ILE 105 Cb 0.06 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1va8 s ILE 105 CO -0.05 0.38 1.33 -2.16 0.00 0.00 0.00 174.94 174.44 1va8 s PRO 106 N 1.11 3.96 -1.23 2.79 0.04 -1.26 -2.80 135.00 137.61 1va8 s PRO 106 Ca 0.05 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.24 1va8 s PRO 106 Cb -0.14 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 1va8 s PRO 106 CO 0.03 -1.07 1.86 0.45 0.04 0.00 0.00 177.00 178.32 1va8 s SER 107 N 2.81 5.71 -0.61 6.66 0.15 -1.26 -4.80 113.70 122.36 1va8 s SER 107 Ca 0.58 -1.96 -0.07 0.00 0.70 0.00 0.00 55.95 55.19 1va8 s SER 107 Cb -0.18 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.37 1va8 s SER 107 CO 0.22 -2.36 3.06 -1.20 1.20 0.00 0.00 173.24 174.16 1va8 n SER 108 N 12.12 6.00 -4.59 5.45 7.64 -1.26 -4.90 113.62 134.09 1va8 n SER 108 Ca 0.46 -2.43 -0.44 0.00 1.01 0.00 0.00 58.87 57.48 1va8 n SER 108 Cb 0.46 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 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 3.01 0.98 3.78 0.23 0.00 -1.26 -4.95 105.19 106.98 1va8 n GLY 109 Ca 0.52 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 47.04 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 6.35 0.71 0.00 1.61 0.04 -1.26 -5.09 135.00 137.37 1va8 s PRO 110 Ca 1.02 0.13 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1va8 s PRO 110 Cb -0.38 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1va8 s PRO 110 CO 0.36 -2.46 -0.03 0.45 0.04 0.00 0.00 177.00 175.36 1va8 s SER 111 N -4.14 0.39 0.24 6.66 0.15 -1.26 -5.13 113.70 110.61 1va8 s SER 111 Ca 0.66 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.89 1va8 s SER 111 Cb -0.12 -0.02 -0.10 0.00 -1.71 0.00 0.00 66.02 64.06 1va8 s SER 111 CO 0.54 -0.00 1.45 -0.44 1.20 0.00 0.00 173.24 175.98 1va8 s SER 112 N -0.28 6.65 0.00 5.45 0.01 -1.26 -5.35 113.70 118.92 1va8 s SER 112 Ca -0.01 2.66 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1va8 s SER 112 Cb -0.02 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1va8 s SER 112 CO -0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55