#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 -0.10 -0.05 1.61 0.15 -1.26 -5.17 113.70 108.89 1va8 s SER 2 Ca 0.00 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 55.83 1va8 s SER 2 Cb 0.00 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 1va8 s SER 2 CO 0.00 -1.10 -0.09 -0.55 1.20 0.00 0.00 173.24 172.70 1va8 s SER 3 N -2.99 1.38 0.00 5.45 0.15 -1.26 -5.05 113.70 111.38 1va8 s SER 3 Ca 0.19 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1va8 s SER 3 Cb -0.00 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1va8 s SER 3 CO 0.06 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1va8 n GLY 4 N 3.69 1.84 3.59 9.45 0.00 -1.26 -5.16 105.19 117.35 1va8 n GLY 4 Ca -0.22 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 1va8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1va8 s SER 5 N 0.00 -0.12 1.04 1.61 0.01 -1.26 -5.16 113.70 109.82 1va8 s SER 5 Ca 0.00 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 56.29 1va8 s SER 5 Cb 0.00 0.59 0.21 0.00 0.21 0.00 0.00 66.02 67.03 1va8 s SER 5 CO 0.00 -1.14 1.07 -0.44 0.41 0.00 0.00 173.24 173.14 1va8 s SER 6 N -2.99 2.06 1.11 2.44 0.01 -1.26 -4.98 113.70 110.09 1va8 s SER 6 Ca 0.20 1.63 -0.18 0.00 1.31 0.00 0.00 55.95 58.91 1va8 s SER 6 Cb -0.01 -2.29 0.15 0.00 0.21 0.00 0.00 66.02 64.07 1va8 s SER 6 CO 0.07 -3.55 0.16 0.61 0.41 0.00 0.00 173.24 170.94 1va8 n GLY 7 N 0.09 -2.61 1.36 3.44 0.00 -1.26 -5.00 105.19 101.22 1va8 n GLY 7 Ca 0.06 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.23 -1.14 -4.14 1.61 -0.04 -1.26 -5.08 135.00 122.73 1va8 n PRO 8 Ca 0.03 -0.70 -0.26 0.00 -0.04 0.00 0.00 63.50 62.52 1va8 n PRO 8 Cb 0.53 -0.56 -0.06 0.00 -0.04 0.00 0.00 33.50 33.37 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 -1.91 4.15 0.53 0.52 1.01 -1.26 -5.01 121.20 119.24 1va8 s ILE 9 Ca 0.27 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1va8 s ILE 9 Cb -0.02 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1va8 s ILE 9 CO 0.20 -0.12 0.00 0.41 0.00 0.00 0.00 174.94 175.43 1va8 n THR 10 N -0.27 -0.75 -3.87 2.92 -1.04 -1.26 -4.79 114.28 105.22 1va8 n THR 10 Ca -0.09 0.80 -0.35 0.00 -2.04 0.00 0.00 64.05 62.37 1va8 n THR 10 Cb 0.55 -1.22 -0.13 0.00 -1.82 0.00 0.00 70.33 67.71 1va8 n THR 10 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1va8 s ASP 11 N -6.95 5.00 -1.42 8.00 1.01 -1.26 -5.00 116.67 116.05 1va8 s ASP 11 Ca 0.00 -1.47 -0.09 0.00 0.71 0.00 0.00 52.55 51.71 1va8 s ASP 11 Cb 0.00 -1.75 0.06 0.00 1.01 0.00 0.00 42.92 42.24 1va8 s ASP 11 CO 0.00 -0.33 2.44 1.21 0.21 0.00 0.00 175.17 178.69 1va8 n GLU 12 N 4.62 3.91 -0.45 8.23 2.13 -1.26 -3.89 120.64 133.93 1va8 n GLU 12 Ca -0.10 -2.99 0.00 0.00 0.66 0.00 0.00 57.16 54.73 1va8 n GLU 12 Cb 0.43 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.31 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 3.28 0.00 -0.06 5.31 1.85 -1.26 -4.83 116.66 120.95 1va8 n ARG 13 Ca 0.61 -0.55 0.08 0.00 -1.00 0.00 0.00 57.85 57.00 1va8 n ARG 13 Cb 0.28 -0.29 0.12 0.00 -1.05 0.00 0.00 32.46 31.52 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 1.76 -1.33 8.89 0.31 -1.25 -5.07 118.33 121.64 1va8 n VAL 14 Ca 0.00 -2.08 -0.46 0.00 -0.01 0.00 0.00 64.34 61.79 1va8 n VAL 14 Cb 0.60 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.30 -0.41 0.00 3.52 4.02 -1.26 -4.96 117.16 116.77 1va8 n TYR 15 Ca 0.14 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 58.95 1va8 n TYR 15 Cb 0.58 -1.86 0.00 0.00 -0.02 0.00 0.00 39.34 38.05 1va8 n TYR 15 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1va8 n GLU 16 N 0.97 3.37 -1.58 -0.72 4.07 -1.26 -4.83 120.64 120.66 1va8 n GLU 16 Ca 0.17 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.82 1va8 n GLU 16 Cb 0.23 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.57 1va8 n GLU 16 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1va8 n SER 17 N 0.00 3.13 -4.88 4.31 7.64 -1.26 -4.94 113.62 117.61 1va8 n SER 17 Ca 0.00 0.38 -0.35 0.00 1.01 0.00 0.00 58.87 59.90 1va8 n SER 17 Cb 0.00 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 61.67 1va8 n SER 17 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1va8 s ILE 18 N 7.39 5.40 -1.30 0.44 1.09 -1.26 -4.98 121.20 127.98 1va8 s ILE 18 Ca 1.01 0.14 -0.09 0.00 -1.10 0.00 0.00 60.65 60.61 1va8 s ILE 18 Cb -0.48 -3.50 -0.07 0.00 -1.06 0.00 0.00 42.46 37.34 1va8 s ILE 18 CO 0.40 0.47 2.54 0.61 -0.10 0.00 0.00 174.94 178.86 1va8 n GLY 19 N 1.46 3.73 2.66 6.18 0.00 -1.26 -3.75 105.19 114.22 1va8 n GLY 19 Ca -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 44.61 1va8 n GLY 19 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1va8 n HIS 20 N 4.12 -0.54 -1.90 1.61 -0.00 -1.26 -4.59 115.22 112.66 1va8 n HIS 20 Ca 0.62 -0.81 -0.38 0.00 -0.00 0.00 0.00 57.72 57.16 1va8 n HIS 20 Cb 0.20 1.20 -0.03 0.00 -0.00 0.00 0.00 29.99 31.37 1va8 n HIS 20 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1va8 s TYR 21 N 0.05 1.51 0.00 1.57 1.51 -1.24 -4.16 117.35 116.59 1va8 s TYR 21 Ca 0.13 0.98 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 1va8 s TYR 21 Cb 0.19 -3.95 0.00 0.00 -0.11 0.00 0.00 41.96 38.09 1va8 s TYR 21 CO -0.11 -2.45 0.00 0.41 -1.11 0.00 0.00 175.55 172.29 1va8 n GLY 22 N 5.76 1.76 0.81 0.71 0.00 -1.26 -3.21 105.19 109.76 1va8 n GLY 22 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1va8 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va8 n GLY 23 N 0.00 -0.08 0.00 -0.02 0.00 -1.26 -5.13 105.19 98.70 1va8 n GLY 23 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.91 0.10 -3.73 1.61 4.07 -1.20 -4.93 120.64 114.66 1va8 n GLU 24 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 1va8 n GLU 24 Cb 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.21 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1va8 s THR 25 N -0.30 0.00 -0.10 6.31 -4.23 -1.26 -3.70 115.64 112.37 1va8 s THR 25 Ca 0.00 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1va8 s THR 25 Cb 0.00 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.60 1va8 s THR 25 CO 0.00 0.17 -0.01 0.68 -0.54 0.00 0.00 174.62 174.92 1va8 s VAL 26 N 1.82 4.22 -0.34 2.29 -7.23 -1.26 -4.78 120.40 115.12 1va8 s VAL 26 Ca 0.01 -0.28 -0.13 0.00 -1.81 0.00 0.00 61.98 59.77 1va8 s VAL 26 Cb -0.12 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 1va8 s VAL 26 CO -0.03 0.59 0.25 -0.75 -0.31 0.00 0.00 175.10 174.84 1va8 s LYS 27 N -0.68 3.51 0.26 4.82 2.20 -0.19 -4.56 119.74 125.10 1va8 s LYS 27 Ca 0.11 -0.62 -0.17 0.00 -0.36 0.00 0.00 55.97 54.93 1va8 s LYS 27 Cb -0.12 -3.80 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 1va8 s LYS 27 CO 0.02 -0.44 0.71 0.42 -0.36 0.00 0.00 175.35 175.70 1va8 s ILE 28 N 1.74 4.65 -0.19 5.43 1.09 -1.26 -2.59 121.20 130.08 1va8 s ILE 28 Ca 0.06 1.09 -0.06 0.00 -1.10 0.00 0.00 60.65 60.64 1va8 s ILE 28 Cb -0.17 -3.74 0.09 0.00 -1.06 0.00 0.00 42.46 37.57 1va8 s ILE 28 CO 0.11 0.04 0.37 0.68 -0.10 0.00 0.00 174.94 176.04 1va8 s VAL 29 N -1.71 -0.58 -0.48 2.92 -7.23 0.30 -4.97 120.40 108.65 1va8 s VAL 29 Ca 0.47 0.17 -0.21 0.00 -1.81 0.00 0.00 61.98 60.60 1va8 s VAL 29 Cb -0.14 -0.62 0.04 0.00 0.56 0.00 0.00 36.38 36.21 1va8 s VAL 29 CO 0.19 0.06 0.70 -0.13 -0.31 0.00 0.00 175.10 175.62 1va8 s ARG 30 N 2.56 3.26 -0.13 4.82 0.52 -1.26 -0.12 118.95 128.60 1va8 s ARG 30 Ca 0.01 -0.47 -0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1va8 s ARG 30 Cb -0.12 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 31.30 1va8 s ARG 30 CO -0.12 -1.16 0.11 0.42 0.02 0.00 0.00 175.30 174.57 1va8 s ILE 31 N 3.00 5.24 -0.26 1.52 1.01 -0.35 -4.88 121.20 126.48 1va8 s ILE 31 Ca 0.23 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 1va8 s ILE 31 Cb -0.15 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1va8 s ILE 31 CO 0.17 0.58 0.61 -1.61 0.00 0.00 0.00 174.94 174.70 1va8 s GLU 32 N -0.72 4.08 -0.14 2.79 2.02 -1.26 -0.87 118.70 124.59 1va8 s GLU 32 Ca 0.13 0.48 0.03 0.00 0.02 0.00 0.00 54.97 55.63 1va8 s GLU 32 Cb -0.12 -3.66 0.01 0.00 0.10 0.00 0.00 34.13 30.46 1va8 s GLU 32 CO 0.03 -0.43 -0.22 0.15 0.02 0.00 0.00 175.26 174.81 1va8 s LYS 33 N 2.49 3.02 1.06 1.61 1.02 -1.03 -4.95 119.74 122.97 1va8 s LYS 33 Ca 0.25 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.24 1va8 s LYS 33 Cb -0.15 -2.43 0.22 0.00 -0.52 0.00 0.00 37.83 34.95 1va8 s LYS 33 CO 0.09 -0.00 1.11 0.00 -0.92 0.00 0.00 175.35 175.63 1va8 s ALA 34 N 0.78 0.92 -0.87 5.17 0.00 -1.26 0.20 121.76 126.70 1va8 s ALA 34 Ca -0.08 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1va8 s ALA 34 Cb -0.16 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 19.98 1va8 s ALA 34 CO -0.01 -3.04 0.61 0.54 0.00 0.00 0.00 175.76 173.86 1va8 n ARG 35 N -4.33 1.20 -1.24 0.00 1.74 -1.26 -3.24 116.66 109.53 1va8 n ARG 35 Ca 0.08 -0.17 -0.01 0.00 -0.77 0.00 0.00 57.85 56.98 1va8 n ARG 35 Cb 0.58 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.07 -0.36 -4.17 0.55 -0.08 -1.26 -5.07 116.55 106.23 1va8 n ASP 36 Ca 0.02 -0.96 -0.33 0.00 -1.51 0.00 0.00 54.79 52.00 1va8 n ASP 36 Cb 0.33 0.14 -0.16 0.00 2.34 0.00 0.00 41.12 43.77 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1va8 s ILE 37 N 0.02 2.15 0.65 5.18 -1.09 -1.20 -5.12 121.20 121.79 1va8 s ILE 37 Ca 0.01 -0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 57.37 1va8 s ILE 37 Cb 0.06 -1.88 -0.01 0.00 -1.58 0.00 0.00 42.46 39.05 1va8 s ILE 37 CO -0.02 0.54 1.06 -2.16 -1.23 0.00 0.00 174.94 173.13 1va8 s PRO 38 N 0.98 3.13 0.02 2.79 0.04 -1.26 -4.56 135.00 136.14 1va8 s PRO 38 Ca -0.03 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 1va8 s PRO 38 Cb -0.15 -2.01 -0.16 0.00 0.04 0.00 0.00 34.50 32.22 1va8 s PRO 38 CO -0.05 -0.95 1.24 1.25 0.04 0.00 0.00 177.00 178.52 1va8 h LEU 39 N -0.23 -0.72 -0.51 -3.56 7.12 -1.96 -3.02 115.31 112.42 1va8 h LEU 39 Ca -0.45 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.54 1va8 h LEU 39 Cb 1.21 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.53 1va8 h LEU 39 CO 0.57 -0.37 0.00 0.61 -0.13 0.00 0.00 178.44 179.12 1va8 n GLY 40 N -0.76 0.69 2.86 3.75 0.00 -1.26 0.03 105.19 110.50 1va8 n GLY 40 Ca -0.12 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.51 -0.18 0.34 4.61 0.00 -1.26 0.73 121.76 123.48 1va8 s ALA 41 Ca 0.00 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 1va8 s ALA 41 Cb 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 1va8 s ALA 41 CO 0.00 -0.45 0.76 0.99 0.00 0.00 0.00 175.76 177.05 1va8 s THR 42 N 1.99 4.67 0.02 0.00 2.01 0.33 -4.93 115.64 119.73 1va8 s THR 42 Ca -0.00 0.94 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1va8 s THR 42 Cb -0.12 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1va8 s THR 42 CO -0.06 -0.24 -0.03 0.68 -0.69 0.00 0.00 174.62 174.28 1va8 s VAL 43 N -2.05 0.14 0.23 3.82 -7.23 -1.26 -1.14 120.40 112.90 1va8 s VAL 43 Ca 0.54 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.97 1va8 s VAL 43 Cb -0.10 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 1va8 s VAL 43 CO 0.19 -0.42 0.16 0.00 -0.31 0.00 0.00 175.10 174.72 1va8 s ARG 44 N -1.28 2.85 -0.22 4.82 1.70 0.44 -4.65 118.95 122.62 1va8 s ARG 44 Ca -0.13 -1.04 -0.15 0.00 -0.47 0.00 0.00 55.73 53.93 1va8 s ARG 44 Cb -0.09 -2.54 -0.04 0.00 -0.57 0.00 0.00 34.95 31.71 1va8 s ARG 44 CO -0.01 0.42 0.37 1.21 -1.08 0.00 0.00 175.30 176.21 1va8 s ASN 45 N -3.62 6.36 0.34 -2.89 3.04 -1.26 -1.94 114.94 114.97 1va8 s ASN 45 Ca 0.32 0.42 0.08 0.00 0.04 0.00 0.00 52.86 53.72 1va8 s ASN 45 Cb -0.08 -2.21 -0.03 0.00 -1.54 0.00 0.00 41.25 37.38 1va8 s ASN 45 CO 0.24 -0.09 0.27 -1.61 -3.04 0.00 0.00 177.10 172.87 1va8 s GLU 46 N 1.46 2.67 0.00 0.43 0.41 0.29 -4.96 118.70 119.00 1va8 s GLU 46 Ca 0.17 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1va8 s GLU 46 Cb -0.15 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1va8 s GLU 46 CO 0.08 0.10 0.00 -1.33 -0.49 0.00 0.00 175.26 173.62 1va8 n MET 47 N -1.34 0.00 -0.68 1.61 2.81 -1.26 -2.20 117.12 116.06 1va8 n MET 47 Ca -0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.86 1va8 n MET 47 Cb 0.60 0.00 -0.01 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 -3.93 -0.09 -4.15 7.83 9.92 -1.26 -5.03 116.55 119.84 1va8 n ASP 48 Ca 0.00 -1.51 -0.15 0.00 -0.53 0.00 0.00 54.79 52.60 1va8 n ASP 48 Cb 0.00 -0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.35 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 -0.60 1.36 -0.46 -2.24 0.01 -0.94 -1.33 113.70 109.50 1va8 s SER 49 Ca 0.03 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.46 1va8 s SER 49 Cb 0.03 0.01 0.11 0.00 0.21 0.00 0.00 66.02 66.38 1va8 s SER 49 CO -0.02 -0.23 0.33 -0.69 0.41 0.00 0.00 173.24 173.05 1va8 s VAL 50 N -2.08 4.23 0.14 3.43 1.01 -1.26 0.10 120.40 125.98 1va8 s VAL 50 Ca 0.01 -1.71 0.03 0.00 0.00 0.00 0.00 61.98 60.32 1va8 s VAL 50 Cb -0.05 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1va8 s VAL 50 CO 0.00 -0.73 0.22 -0.63 0.00 0.00 0.00 175.10 173.96 1va8 s ILE 51 N 1.38 5.02 0.54 2.22 1.09 -0.82 0.09 121.20 130.72 1va8 s ILE 51 Ca 0.05 -0.78 -0.20 0.00 -1.10 0.00 0.00 60.65 58.62 1va8 s ILE 51 Cb -0.26 -3.55 -0.06 0.00 -1.06 0.00 0.00 42.46 37.54 1va8 s ILE 51 CO -0.00 -0.06 1.16 -0.63 -0.10 0.00 0.00 174.94 175.31 1va8 s ILE 52 N -1.69 3.02 -0.02 2.92 -1.09 -0.32 0.17 121.20 124.19 1va8 s ILE 52 Ca 0.33 0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 59.40 1va8 s ILE 52 Cb -0.11 -3.28 -0.01 0.00 -1.58 0.00 0.00 42.46 37.48 1va8 s ILE 52 CO 0.26 -0.11 -0.02 -0.24 -1.23 0.00 0.00 174.94 173.60 1va8 n SER 53 N -1.22 1.29 -3.83 3.58 2.88 -0.29 -3.45 113.62 112.57 1va8 n SER 53 Ca 0.11 0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.57 1va8 n SER 53 Cb 0.50 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1va8 n SER 53 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1va8 s ARG 54 N -2.03 1.11 -0.13 -1.46 3.52 -0.90 -4.92 118.95 114.15 1va8 s ARG 54 Ca -0.02 -0.98 -0.00 0.00 -0.13 0.00 0.00 55.73 54.60 1va8 s ARG 54 Cb 0.01 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.83 1va8 s ARG 54 CO 0.03 -0.42 -0.11 0.42 -0.81 0.00 0.00 175.30 174.42 1va8 s ILE 55 N -3.90 1.27 0.33 4.11 -1.09 -1.26 0.12 121.20 120.78 1va8 s ILE 55 Ca 0.10 -0.44 -0.21 0.00 -2.23 0.00 0.00 60.65 57.87 1va8 s ILE 55 Cb 0.03 -1.23 -0.10 0.00 -1.58 0.00 0.00 42.46 39.58 1va8 s ILE 55 CO -0.05 0.41 0.85 -0.69 -1.23 0.00 0.00 174.94 174.22 1va8 s VAL 56 N 1.59 4.45 -0.05 2.92 1.01 0.22 -4.94 120.40 125.61 1va8 s VAL 56 Ca 0.05 1.41 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 1va8 s VAL 56 Cb -0.13 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1va8 s VAL 56 CO -0.09 -0.04 0.47 -0.75 0.00 0.00 0.00 175.10 174.69 1va8 s LYS 57 N -2.55 4.18 0.00 2.72 2.47 -1.26 -3.84 119.74 121.46 1va8 s LYS 57 Ca 0.53 0.48 0.00 0.00 -1.56 0.00 0.00 55.97 55.42 1va8 s LYS 57 Cb -0.14 -3.33 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 1va8 s LYS 57 CO 0.19 0.42 0.00 0.41 0.16 0.00 0.00 175.35 176.52 1va8 n GLY 58 N 2.53 0.19 1.60 5.54 0.00 -1.26 -5.07 105.19 108.71 1va8 n GLY 58 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1va8 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va8 n GLY 59 N -1.79 -1.59 0.14 -0.02 0.00 -1.25 -4.93 105.19 95.75 1va8 n GLY 59 Ca 0.00 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1va8 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va8 h ALA 60 N -2.01 0.06 0.50 4.61 0.00 -0.26 -3.18 119.26 118.98 1va8 h ALA 60 Ca -0.18 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.67 1va8 h ALA 60 Cb 0.51 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1va8 h ALA 60 CO 0.13 0.88 -0.25 0.00 0.00 0.00 0.00 179.25 180.00 1va8 h ALA 61 N 0.10 -0.69 -0.51 0.00 0.00 -1.66 -1.27 119.26 115.22 1va8 h ALA 61 Ca -0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1va8 h ALA 61 Cb 2.06 0.29 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1va8 h ALA 61 CO 0.19 -0.89 0.00 -1.91 0.00 0.00 0.00 179.25 176.64 1va8 n GLU 62 N -5.39 0.00 -0.17 0.00 0.00 -1.26 0.94 120.64 114.76 1va8 n GLU 62 Ca -0.12 0.71 -0.04 0.00 0.00 0.00 0.00 57.16 57.71 1va8 n GLU 62 Cb 0.29 -1.41 -0.04 0.00 0.00 0.00 0.00 31.44 30.28 1va8 n GLU 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1va8 n LYS 63 N -2.29 -0.18 -0.30 5.31 5.02 -1.20 0.15 118.16 124.67 1va8 n LYS 63 Ca 0.00 1.11 0.14 0.00 -2.02 0.00 0.00 58.31 57.54 1va8 n LYS 63 Cb 0.00 -1.65 0.31 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.06 -2.74 4.39 4.64 -0.97 -3.45 113.55 115.48 1va8 h SER 64 Ca 0.06 0.20 -0.27 0.00 -0.47 0.00 0.00 61.79 61.31 1va8 h SER 64 Cb 0.17 0.25 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1va8 h SER 64 CO -0.38 -0.15 -0.38 0.61 -0.87 0.00 0.00 176.83 175.66 1va8 n GLY 65 N -1.37 -0.13 0.59 -0.77 0.00 0.39 -4.89 105.19 99.01 1va8 n GLY 65 Ca 0.22 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.49 2.19 -4.05 0.99 4.77 -1.24 -4.90 117.00 112.27 1va8 n LEU 66 Ca -0.10 -0.93 -0.26 0.00 -0.03 0.00 0.00 56.01 54.69 1va8 n LEU 66 Cb 0.59 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.52 1va8 n LEU 66 CO 0.27 0.39 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.48 1va8 s LEU 67 N -1.63 1.71 0.08 2.23 1.43 -1.26 -4.94 118.68 116.30 1va8 s LEU 67 Ca 0.18 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1va8 s LEU 67 Cb 0.14 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 1va8 s LEU 67 CO 0.28 0.05 -0.10 -1.00 0.23 0.00 0.00 176.35 175.81 1va8 s HIS 68 N 0.64 0.96 0.21 0.29 3.76 -1.26 -4.80 115.29 115.09 1va8 s HIS 68 Ca -0.15 -0.61 -0.32 0.00 -0.15 0.00 0.00 55.06 53.83 1va8 s HIS 68 Cb -0.16 -0.54 -0.12 0.00 1.11 0.00 0.00 32.58 32.87 1va8 s HIS 68 CO 0.04 -0.03 1.71 -1.21 -0.85 0.00 0.00 174.74 174.41 1va8 s GLU 69 N -2.42 4.12 0.00 1.40 2.02 -1.26 -2.02 118.70 120.55 1va8 s GLU 69 Ca 0.01 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.60 1va8 s GLU 69 Cb -0.05 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1va8 s GLU 69 CO -0.00 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 174.95 1va8 n GLY 70 N 3.85 0.60 3.70 -1.39 0.00 -1.22 -4.86 105.19 105.88 1va8 n GLY 70 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.01 7.09 -0.12 1.61 1.11 -0.86 -3.59 116.67 119.90 1va8 s ASP 71 Ca 0.00 1.32 -0.18 0.00 0.18 0.00 0.00 52.55 53.87 1va8 s ASP 71 Cb 0.00 -2.47 -0.04 0.00 1.07 0.00 0.00 42.92 41.48 1va8 s ASP 71 CO 0.00 -0.22 0.46 -0.70 1.18 0.00 0.00 175.17 175.88 1va8 s GLU 72 N 1.18 4.32 0.03 8.23 2.12 -1.12 -1.17 118.70 132.28 1va8 s GLU 72 Ca 0.42 0.41 -0.18 0.00 0.36 0.00 0.00 54.97 55.98 1va8 s GLU 72 Cb -0.18 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 1va8 s GLU 72 CO 0.19 0.19 0.51 0.08 -0.54 0.00 0.00 175.26 175.69 1va8 s VAL 73 N 0.54 4.89 0.09 3.70 1.01 0.11 -2.68 120.40 128.07 1va8 s VAL 73 Ca 0.25 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1va8 s VAL 73 Cb -0.15 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1va8 s VAL 73 CO 0.10 0.53 0.00 0.18 0.00 0.00 0.00 175.10 175.91 1va8 n LEU 74 N 1.99 0.35 -4.03 3.92 4.77 -0.96 -4.01 117.00 119.03 1va8 n LEU 74 Ca -0.11 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 1va8 n LEU 74 Cb 0.51 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1va8 n LEU 74 CO 0.40 -0.48 -0.41 -1.61 -1.33 0.00 0.00 177.39 173.96 1va8 s GLU 75 N -2.00 0.56 -0.22 3.23 2.02 -1.18 0.18 118.70 121.29 1va8 s GLU 75 Ca 0.00 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 1va8 s GLU 75 Cb 0.00 -0.46 0.07 0.00 0.10 0.00 0.00 34.13 33.84 1va8 s GLU 75 CO 0.00 0.11 0.08 0.42 0.02 0.00 0.00 175.26 175.90 1va8 s ILE 76 N -0.73 0.17 0.00 -1.63 1.01 0.18 -1.18 121.20 119.02 1va8 s ILE 76 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1va8 s ILE 76 Cb -0.06 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.53 1va8 s ILE 76 CO 0.00 -0.40 0.00 -3.20 0.00 0.00 0.00 174.94 171.35 1va8 n ASN 77 N 5.17 -4.30 0.00 3.58 2.85 -0.73 -1.78 115.26 120.06 1va8 n ASN 77 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1va8 n ASN 77 Cb 0.46 -1.98 0.00 0.00 1.24 0.00 0.00 39.78 39.50 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 -1.02 1.50 3.76 8.20 0.00 -1.26 -4.93 105.19 111.43 1va8 n GLY 78 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.73 3.21 0.63 -0.61 1.09 -0.73 -4.97 121.20 118.08 1va8 s ILE 79 Ca 0.00 1.16 -0.14 0.00 -1.10 0.00 0.00 60.65 60.57 1va8 s ILE 79 Cb 0.00 -3.74 -0.02 0.00 -1.06 0.00 0.00 42.46 37.64 1va8 s ILE 79 CO 0.00 0.25 1.06 -1.61 -0.10 0.00 0.00 174.94 174.54 1va8 s GLU 80 N -1.23 3.18 0.00 2.79 2.02 -1.26 0.49 118.70 124.70 1va8 s GLU 80 Ca 0.49 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.60 1va8 s GLU 80 Cb -0.35 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 31.86 1va8 s GLU 80 CO 0.44 -0.91 0.00 -0.89 0.02 0.00 0.00 175.26 173.92 1va8 n ILE 81 N -2.40 0.00 -1.46 -1.63 2.08 0.48 -4.80 119.36 111.63 1va8 n ILE 81 Ca 0.08 0.00 -0.62 0.00 0.56 0.00 0.00 62.75 62.77 1va8 n ILE 81 Cb 0.53 -0.83 -0.11 0.00 -0.75 0.00 0.00 39.64 38.48 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 -2.57 0.00 0.00 0.38 3.00 -1.20 0.18 116.66 116.45 1va8 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1va8 n ARG 82 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.34 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 5.46 2.98 3.53 5.14 0.00 -0.44 -4.98 105.19 116.89 1va8 n GLY 83 Ca 0.41 -0.81 -0.52 0.00 0.00 0.00 0.00 46.02 45.11 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 0.68 -1.75 1.61 5.02 0.47 -4.82 118.16 119.37 1va8 n LYS 84 Ca 0.00 0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 56.12 1va8 n LYS 84 Cb 0.00 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.35 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 1.92 3.35 -0.34 4.39 2.03 -1.26 -4.78 116.55 121.85 1va8 n ASP 85 Ca 0.17 1.18 0.33 0.00 0.52 0.00 0.00 54.79 56.99 1va8 n ASP 85 Cb 0.20 -1.58 0.69 0.00 -0.72 0.00 0.00 41.12 39.71 1va8 n ASP 85 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1va8 h VAL 86 N 2.57 0.40 0.01 5.18 3.04 -1.91 0.87 116.25 126.41 1va8 h VAL 86 Ca -0.50 -0.03 -0.18 0.00 -1.01 0.00 0.00 66.70 64.97 1va8 h VAL 86 Cb 1.26 0.29 0.02 0.00 -2.01 0.00 0.00 31.29 30.85 1va8 h VAL 86 CO 0.62 0.02 -0.73 -1.13 -1.01 0.00 0.00 177.57 175.34 1va8 h ASN 87 N 0.10 0.62 -0.86 3.17 -0.73 -1.95 -3.02 115.58 112.90 1va8 h ASN 87 Ca 0.60 -0.77 0.19 0.00 1.87 0.00 0.00 56.30 58.19 1va8 h ASN 87 Cb 2.16 -0.19 -0.11 0.00 0.27 0.00 0.00 38.32 40.45 1va8 h ASN 87 CO -0.10 1.31 0.38 -0.33 -0.37 0.00 0.00 177.43 178.32 1va8 h GLU 88 N -0.01 0.43 0.31 6.67 4.39 0.41 0.17 114.58 126.94 1va8 h GLU 88 Ca -0.09 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1va8 h GLU 88 Cb 1.43 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1va8 h GLU 88 CO 0.14 0.28 -0.15 0.28 -1.16 0.00 0.00 179.01 178.41 1va8 h VAL 89 N 0.44 0.72 -0.53 3.13 2.07 -1.33 0.33 116.25 121.08 1va8 h VAL 89 Ca 0.51 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1va8 h VAL 89 Cb 0.90 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.45 1va8 h VAL 89 CO -0.48 0.06 -0.34 -0.26 0.02 0.00 0.00 177.57 176.57 1va8 h PHE 90 N -0.57 -0.94 0.25 1.57 0.04 -0.94 -0.51 116.94 115.84 1va8 h PHE 90 Ca -0.04 0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1va8 h PHE 90 Cb 0.42 0.49 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1va8 h PHE 90 CO -0.01 -0.38 -0.18 0.22 -0.60 0.00 0.00 178.31 177.35 1va8 h ASP 91 N -0.19 -0.46 -0.15 2.17 1.82 -0.97 0.16 116.42 118.79 1va8 h ASP 91 Ca 0.21 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.90 1va8 h ASP 91 Cb 0.55 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.69 1va8 h ASP 91 CO -0.64 -0.28 -0.09 0.18 -1.61 0.00 0.00 179.24 176.80 1va8 n LEU 92 N -5.30 -0.16 -0.30 2.28 4.77 0.10 0.83 117.00 119.21 1va8 n LEU 92 Ca -0.09 1.09 0.10 0.00 -0.03 0.00 0.00 56.01 57.08 1va8 n LEU 92 Cb 0.22 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.12 1va8 n LEU 92 CO 0.32 -0.63 1.09 -0.07 -1.33 0.00 0.00 177.39 176.77 1va8 h LEU 93 N 0.00 0.48 -1.77 2.23 3.38 -1.07 1.50 115.31 120.06 1va8 h LEU 93 Ca 0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1va8 h LEU 93 Cb 0.06 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1va8 h LEU 93 CO -0.14 0.15 0.03 -1.28 0.09 0.00 0.00 178.44 177.29 1va8 h SER 94 N 0.56 0.00 -0.19 -0.43 0.87 0.26 0.52 113.55 115.14 1va8 h SER 94 Ca 0.51 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.02 1va8 h SER 94 Cb 0.82 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 1va8 h SER 94 CO -0.42 0.00 -0.06 -0.67 -0.53 0.00 0.00 176.83 175.15 1va8 n ASP 95 N -2.45 2.92 -4.06 6.23 2.03 0.51 -4.99 116.55 116.74 1va8 n ASP 95 Ca -0.02 -3.30 -0.15 0.00 0.52 0.00 0.00 54.79 51.84 1va8 n ASP 95 Cb 0.07 -0.53 -0.12 0.00 -0.72 0.00 0.00 41.12 39.81 1va8 n ASP 95 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1va8 s MET 96 N -2.98 0.58 0.04 -0.67 -1.94 0.18 -5.01 119.30 109.50 1va8 s MET 96 Ca 0.40 -0.64 -0.10 0.00 -1.71 0.00 0.00 55.69 53.63 1va8 s MET 96 Cb 0.34 -0.45 0.01 0.00 2.01 0.00 0.00 34.83 36.74 1va8 s MET 96 CO 0.04 0.10 0.22 -3.38 -0.01 0.00 0.00 175.02 171.99 1va8 s HIS 97 N -1.00 0.02 0.00 -0.03 -3.43 -1.26 -4.90 115.29 104.69 1va8 s HIS 97 Ca -0.05 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 53.98 1va8 s HIS 97 Cb -0.08 -0.00 0.00 0.00 -1.43 0.00 0.00 32.58 31.07 1va8 s HIS 97 CO 0.01 -0.45 0.00 0.41 -2.00 0.00 0.00 174.74 172.70 1va8 n GLY 98 N 0.63 -3.66 3.59 -1.38 0.00 0.53 -4.87 105.19 100.04 1va8 n GLY 98 Ca -0.19 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.78 3.35 -0.04 2.61 2.01 -1.26 -2.46 115.64 119.07 1va8 s THR 99 Ca 0.00 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 1va8 s THR 99 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1va8 s THR 99 CO 0.00 -0.35 0.11 -0.76 -0.69 0.00 0.00 174.62 172.93 1va8 s LEU 100 N 7.58 4.10 -0.56 4.42 1.02 -0.05 -4.90 118.68 130.29 1va8 s LEU 100 Ca 0.84 0.27 -0.18 0.00 0.02 0.00 0.00 54.13 55.08 1va8 s LEU 100 Cb -0.23 -2.26 0.09 0.00 0.02 0.00 0.00 46.19 43.81 1va8 s LEU 100 CO 0.32 0.32 0.64 -0.89 0.02 0.00 0.00 176.35 176.76 1va8 s THR 101 N -1.15 4.90 -0.28 5.49 2.01 -1.26 -1.21 115.64 124.15 1va8 s THR 101 Ca 0.21 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 1va8 s THR 101 Cb -0.12 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 67.99 1va8 s THR 101 CO 0.11 -0.98 0.89 -0.36 -0.69 0.00 0.00 174.62 173.59 1va8 s PHE 102 N 2.48 3.25 -0.59 4.92 0.40 0.84 -1.77 117.98 127.51 1va8 s PHE 102 Ca 0.11 1.08 -0.07 0.00 -0.60 0.00 0.00 56.93 57.45 1va8 s PHE 102 Cb -0.24 -3.25 0.15 0.00 0.51 0.00 0.00 43.02 40.19 1va8 s PHE 102 CO 0.07 -0.53 0.44 0.08 0.70 0.00 0.00 175.22 175.98 1va8 s VAL 103 N 3.08 4.13 0.06 -0.44 1.01 -0.32 -0.54 120.40 127.37 1va8 s VAL 103 Ca 0.37 -2.42 -0.01 0.00 0.00 0.00 0.00 61.98 59.92 1va8 s VAL 103 Cb -0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1va8 s VAL 103 CO 0.10 -0.85 -0.03 -1.48 0.00 0.00 0.00 175.10 172.84 1va8 s LEU 104 N 0.54 2.49 -0.16 3.92 0.05 -1.07 -2.27 118.68 122.17 1va8 s LEU 104 Ca 0.13 -0.99 -0.05 0.00 0.05 0.00 0.00 54.13 53.27 1va8 s LEU 104 Cb -0.21 0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 44.07 1va8 s LEU 104 CO -0.04 -0.58 -0.01 -0.63 -0.55 0.00 0.00 176.35 174.55 1va8 s ILE 105 N -3.85 4.17 -0.17 1.48 1.01 -1.09 -1.03 121.20 121.71 1va8 s ILE 105 Ca 0.07 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 1va8 s ILE 105 Cb 0.07 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1va8 s ILE 105 CO -0.09 0.48 1.28 -2.16 0.00 0.00 0.00 174.94 174.46 1va8 s PRO 106 N 0.36 4.20 -1.24 2.79 0.04 -1.26 -2.81 135.00 137.07 1va8 s PRO 106 Ca -0.02 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 1va8 s PRO 106 Cb -0.14 -3.79 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 1va8 s PRO 106 CO 0.02 -0.75 1.82 0.45 0.04 0.00 0.00 177.00 178.58 1va8 s SER 107 N 2.12 6.01 -0.71 6.66 0.15 -1.24 -4.81 113.70 121.88 1va8 s SER 107 Ca 0.56 -2.07 -0.07 0.00 0.70 0.00 0.00 55.95 55.07 1va8 s SER 107 Cb -0.22 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.37 1va8 s SER 107 CO 0.16 -2.05 2.84 -0.24 1.20 0.00 0.00 173.24 175.15 1va8 n SER 108 N 11.14 5.87 -2.11 5.45 2.88 -1.26 -4.86 113.62 130.73 1va8 n SER 108 Ca 0.47 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.61 1va8 n SER 108 Cb 0.46 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 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 3.15 -3.19 3.63 0.46 0.00 -1.26 -4.81 105.19 103.17 1va8 n GLY 109 Ca 0.51 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 3.90 -0.11 1.61 0.04 -1.26 -4.99 135.00 134.19 1va8 s PRO 110 Ca 0.00 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 1va8 s PRO 110 Cb 0.00 -3.90 0.03 0.00 0.04 0.00 0.00 34.50 30.67 1va8 s PRO 110 CO 0.00 -1.14 0.28 0.45 0.04 0.00 0.00 177.00 176.63 1va8 s SER 111 N 2.99 -0.30 -0.08 6.66 0.15 -1.26 -5.11 113.70 116.75 1va8 s SER 111 Ca 0.58 0.57 -0.33 0.00 0.70 0.00 0.00 55.95 57.48 1va8 s SER 111 Cb -0.18 0.57 -0.11 0.00 -1.71 0.00 0.00 66.02 64.60 1va8 s SER 111 CO 0.24 -0.11 1.94 -1.54 1.20 0.00 0.00 173.24 174.97 1va8 n SER 112 N 3.05 3.55 0.00 5.45 3.41 -1.26 -5.24 113.62 122.58 1va8 n SER 112 Ca -0.14 0.89 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1va8 n SER 112 Cb 0.58 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1va8 n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49