#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 0.97 0.15 1.61 0.15 -1.26 -5.17 113.70 110.14 1va8 s SER 2 Ca 0.00 -1.40 -0.23 0.00 0.70 0.00 0.00 55.95 55.02 1va8 s SER 2 Cb 0.00 0.23 0.07 0.00 -1.71 0.00 0.00 66.02 64.61 1va8 s SER 2 CO 0.00 -0.77 0.60 -0.55 1.20 0.00 0.00 173.24 173.72 1va8 s SER 3 N -3.28 -0.56 -0.04 5.45 0.15 -1.26 -5.17 113.70 108.99 1va8 s SER 3 Ca 0.38 0.03 -0.03 0.00 0.70 0.00 0.00 55.95 57.03 1va8 s SER 3 Cb 0.07 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 1va8 s SER 3 CO 0.14 -0.94 0.12 -0.83 1.20 0.00 0.00 173.24 172.92 1va8 s GLY 4 N -2.66 2.09 -0.18 9.45 0.00 -1.26 -4.74 107.32 110.03 1va8 s GLY 4 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 1va8 s GLY 4 CO -0.12 -0.62 0.18 -1.26 0.00 0.00 0.00 173.10 171.28 1va8 n SER 5 N 1.36 -6.70 0.00 1.64 2.88 -1.26 -4.84 113.62 106.69 1va8 n SER 5 Ca -0.14 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1va8 n SER 5 Cb 0.53 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.47 1va8 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1va8 n SER 6 N 0.78 0.00 -4.30 -3.46 2.88 -1.26 -5.15 113.62 103.10 1va8 n SER 6 Ca -0.01 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.13 1va8 n SER 6 Cb 0.45 0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.87 -2.76 3.56 0.46 0.00 -1.26 -4.77 105.19 99.55 1va8 n GLY 7 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.21 3.02 0.05 1.61 0.04 -1.26 -4.97 135.00 132.28 1va8 s PRO 8 Ca 0.60 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1va8 s PRO 8 Cb -0.52 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 29.73 1va8 s PRO 8 CO 0.63 -2.30 1.09 0.42 0.04 0.00 0.00 177.00 176.89 1va8 s ILE 9 N 7.06 4.38 -0.46 0.56 1.01 -1.26 -4.90 121.20 127.59 1va8 s ILE 9 Ca 0.52 1.74 0.04 0.00 0.00 0.00 0.00 60.65 62.95 1va8 s ILE 9 Cb -0.11 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1va8 s ILE 9 CO 0.20 0.15 0.70 0.41 0.00 0.00 0.00 174.94 176.40 1va8 n THR 10 N 3.78 0.15 -2.72 2.92 -1.04 -1.26 -5.07 114.28 111.03 1va8 n THR 10 Ca 0.07 -0.58 -0.04 0.00 -2.04 0.00 0.00 64.05 61.47 1va8 n THR 10 Cb 0.48 0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 69.96 1va8 n THR 10 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1va8 n ASP 11 N 0.16 -3.08 -2.70 8.00 8.00 -1.26 -4.64 116.55 121.04 1va8 n ASP 11 Ca 0.03 1.25 -0.20 0.00 0.71 0.00 0.00 54.79 56.58 1va8 n ASP 11 Cb 0.13 -4.00 -0.07 0.00 -0.02 0.00 0.00 41.12 37.16 1va8 n ASP 11 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1va8 n GLU 12 N 2.00 2.20 -2.97 -1.24 2.13 -1.26 -4.33 120.64 117.17 1va8 n GLU 12 Ca -0.26 -1.30 -0.14 0.00 0.66 0.00 0.00 57.16 56.12 1va8 n GLU 12 Cb 0.41 -2.26 -0.02 0.00 0.27 0.00 0.00 31.44 29.84 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 3.29 0.57 -0.79 5.31 1.85 -1.26 -4.91 116.66 120.71 1va8 n ARG 13 Ca 0.47 -2.41 -0.02 0.00 -1.00 0.00 0.00 57.85 54.89 1va8 n ARG 13 Cb 0.43 -1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.36 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 2.26 0.00 -3.66 8.89 0.31 -1.26 -5.13 118.33 119.74 1va8 n VAL 14 Ca 0.19 -0.12 -0.22 0.00 -0.01 0.00 0.00 64.34 64.17 1va8 n VAL 14 Cb 0.56 0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 33.82 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 2.50 0.00 3.52 -0.85 -1.26 -5.14 117.35 116.12 1va8 s TYR 15 Ca 0.04 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1va8 s TYR 15 Cb 0.05 -2.11 0.00 0.00 0.38 0.00 0.00 41.96 40.27 1va8 s TYR 15 CO -0.02 -0.17 0.00 -1.91 -1.52 0.00 0.00 175.55 171.93 1va8 n GLU 16 N -1.57 3.22 -1.27 -3.49 2.13 -1.26 -4.94 120.64 113.47 1va8 n GLU 16 Ca 0.03 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.49 1va8 n GLU 16 Cb 0.62 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.41 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1va8 n SER 17 N 0.00 -0.53 -0.10 4.31 3.41 -1.26 -4.94 113.62 114.51 1va8 n SER 17 Ca 0.00 0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 59.11 1va8 n SER 17 Cb 0.00 -1.30 -0.15 0.00 -0.26 0.00 0.00 64.21 62.50 1va8 n SER 17 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1va8 n ILE 18 N -2.50 1.39 0.00 -1.33 2.08 -1.26 -5.02 119.36 112.72 1va8 n ILE 18 Ca 0.11 -0.80 0.00 0.00 0.56 0.00 0.00 62.75 62.62 1va8 n ILE 18 Cb 0.50 -0.64 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 1va8 n ILE 18 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1va8 n GLY 19 N 1.86 2.06 2.54 7.39 0.00 -1.26 -4.79 105.19 112.98 1va8 n GLY 19 Ca -0.35 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1va8 n GLY 19 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1va8 n HIS 20 N 0.00 2.70 -1.51 1.61 1.44 -1.26 -3.50 115.22 114.69 1va8 n HIS 20 Ca 0.00 -2.88 -0.13 0.00 -2.01 0.00 0.00 57.72 52.70 1va8 n HIS 20 Cb 0.00 -2.40 -0.10 0.00 0.12 0.00 0.00 29.99 27.61 1va8 n HIS 20 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1va8 n TYR 21 N 4.78 0.85 -3.09 -1.40 4.02 -1.20 -4.01 117.16 117.12 1va8 n TYR 21 Ca 0.64 -0.08 -0.00 0.00 -0.01 0.00 0.00 57.90 58.45 1va8 n TYR 21 Cb 0.29 -2.26 -0.00 0.00 -0.02 0.00 0.00 39.34 37.34 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 6.21 -0.52 3.64 2.72 0.00 -1.26 -3.54 105.19 112.44 1va8 n GLY 22 Ca 0.42 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 1.75 -1.00 0.00 -0.02 0.00 -1.26 -4.93 105.19 99.73 1va8 n GLY 23 Ca -0.02 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1va8 n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1va8 n GLU 24 N -2.13 0.00 -3.94 1.61 1.02 -1.23 -5.15 120.64 110.82 1va8 n GLU 24 Ca -0.27 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.61 1va8 n GLU 24 Cb 0.64 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.89 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1va8 s THR 25 N -2.00 0.90 -0.06 2.62 -4.23 -1.26 -3.21 115.64 108.40 1va8 s THR 25 Ca 0.00 -0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.31 1va8 s THR 25 Cb 0.00 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.87 1va8 s THR 25 CO 0.00 0.34 -0.10 0.68 -0.54 0.00 0.00 174.62 175.00 1va8 s VAL 26 N 1.65 3.41 -0.43 2.29 -7.23 -1.23 -4.85 120.40 114.00 1va8 s VAL 26 Ca 0.03 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.45 1va8 s VAL 26 Cb -0.13 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.48 1va8 s VAL 26 CO -0.07 0.60 0.37 -0.75 -0.31 0.00 0.00 175.10 174.94 1va8 s LYS 27 N -0.77 3.01 -0.30 4.82 2.20 0.42 -4.94 119.74 124.18 1va8 s LYS 27 Ca 0.12 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 1va8 s LYS 27 Cb -0.11 -4.01 0.01 0.00 -1.51 0.00 0.00 37.83 32.21 1va8 s LYS 27 CO 0.01 -0.85 1.05 0.42 -0.36 0.00 0.00 175.35 175.62 1va8 s ILE 28 N 1.82 4.56 -0.17 5.43 1.09 -1.26 -2.71 121.20 129.96 1va8 s ILE 28 Ca 0.07 1.78 0.01 0.00 -1.10 0.00 0.00 60.65 61.41 1va8 s ILE 28 Cb -0.20 -4.38 0.02 0.00 -1.06 0.00 0.00 42.46 36.84 1va8 s ILE 28 CO 0.10 -0.40 -0.19 0.68 -0.10 0.00 0.00 174.94 175.03 1va8 s VAL 29 N 3.51 2.18 -0.26 2.92 -7.23 0.16 -4.94 120.40 116.74 1va8 s VAL 29 Ca 0.44 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.61 1va8 s VAL 29 Cb -0.13 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1va8 s VAL 29 CO 0.13 0.53 0.12 -0.13 -0.31 0.00 0.00 175.10 175.45 1va8 s ARG 30 N 1.20 3.79 0.02 4.82 0.52 -1.26 0.94 118.95 128.98 1va8 s ARG 30 Ca 0.03 -0.40 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 1va8 s ARG 30 Cb -0.14 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 1va8 s ARG 30 CO -0.10 -0.18 -0.21 0.42 0.02 0.00 0.00 175.30 175.25 1va8 s ILE 31 N 1.66 2.54 -0.73 1.52 1.01 -0.66 -4.90 121.20 121.65 1va8 s ILE 31 Ca 0.07 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.38 1va8 s ILE 31 Cb -0.15 -2.01 0.14 0.00 0.01 0.00 0.00 42.46 40.44 1va8 s ILE 31 CO 0.07 0.42 0.82 -1.61 0.00 0.00 0.00 174.94 174.64 1va8 s GLU 32 N -1.15 3.32 -0.46 2.79 2.02 -1.26 -0.36 118.70 123.60 1va8 s GLU 32 Ca 0.13 -1.71 -0.14 0.00 0.02 0.00 0.00 54.97 53.26 1va8 s GLU 32 Cb -0.10 -4.47 0.07 0.00 0.10 0.00 0.00 34.13 29.73 1va8 s GLU 32 CO 0.03 -1.54 0.37 0.21 0.02 0.00 0.00 175.26 174.35 1va8 s LYS 33 N 2.06 2.91 0.89 1.61 2.20 -0.55 -4.90 119.74 123.96 1va8 s LYS 33 Ca 0.18 -1.37 -0.11 0.00 -0.36 0.00 0.00 55.97 54.32 1va8 s LYS 33 Cb -0.16 -4.07 0.13 0.00 -1.51 0.00 0.00 37.83 32.22 1va8 s LYS 33 CO -0.01 -1.01 1.15 0.00 -0.36 0.00 0.00 175.35 175.11 1va8 s ALA 34 N 1.60 1.59 -1.42 3.13 0.00 -1.26 0.16 121.76 125.56 1va8 s ALA 34 Ca 0.04 0.60 0.16 0.00 0.00 0.00 0.00 51.96 52.76 1va8 s ALA 34 Cb -0.24 -3.44 0.80 0.00 0.00 0.00 0.00 23.12 20.24 1va8 s ALA 34 CO 0.06 -2.61 1.45 -2.13 0.00 0.00 0.00 175.76 172.53 1va8 n ARG 35 N -4.05 0.22 -0.01 0.00 0.63 -1.26 -1.55 116.66 110.65 1va8 n ARG 35 Ca 0.12 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1va8 n ARG 35 Cb 0.52 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.93 1va8 n ARG 35 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1va8 n ASP 36 N -1.29 1.36 -4.61 6.15 5.75 -1.26 -5.02 116.55 117.63 1va8 n ASP 36 Ca 0.07 -1.71 -0.35 0.00 -0.01 0.00 0.00 54.79 52.80 1va8 n ASP 36 Cb 0.13 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1va8 s ILE 37 N -0.71 4.69 0.75 2.12 -1.09 -0.59 -5.09 121.20 121.27 1va8 s ILE 37 Ca 0.01 -0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.25 1va8 s ILE 37 Cb 0.01 -3.12 0.04 0.00 -1.58 0.00 0.00 42.46 37.81 1va8 s ILE 37 CO 0.00 0.45 1.08 -2.16 -1.23 0.00 0.00 174.94 173.08 1va8 s PRO 38 N 0.48 2.48 -0.11 2.79 0.04 -1.26 -4.51 135.00 134.90 1va8 s PRO 38 Ca 0.03 0.78 -0.10 0.00 0.04 0.00 0.00 61.00 61.76 1va8 s PRO 38 Cb -0.13 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1va8 s PRO 38 CO 0.01 -1.38 0.26 1.25 0.04 0.00 0.00 177.00 177.18 1va8 h LEU 39 N -0.92 -0.01 -0.73 -3.56 5.85 -1.95 -2.84 115.31 111.15 1va8 h LEU 39 Ca -0.45 -0.31 -0.29 0.00 0.84 0.00 0.00 57.88 57.66 1va8 h LEU 39 Cb 1.24 0.00 0.10 0.00 0.37 0.00 0.00 40.66 42.37 1va8 h LEU 39 CO 0.58 0.64 -0.49 0.61 -0.34 0.00 0.00 178.44 179.44 1va8 n GLY 40 N 1.68 -0.15 2.85 3.75 0.00 -1.26 -1.41 105.19 110.65 1va8 n GLY 40 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.21 -0.34 0.40 4.61 0.00 -1.26 0.18 121.76 122.14 1va8 s ALA 41 Ca 0.41 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 1va8 s ALA 41 Cb -0.18 -1.11 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 1va8 s ALA 41 CO 0.51 -0.88 0.78 0.99 0.00 0.00 0.00 175.76 177.16 1va8 s THR 42 N 2.35 4.75 -0.03 0.00 2.01 0.45 -4.92 115.64 120.24 1va8 s THR 42 Ca 0.04 0.71 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 1va8 s THR 42 Cb -0.14 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1va8 s THR 42 CO -0.09 -0.47 0.22 0.68 -0.69 0.00 0.00 174.62 174.26 1va8 s VAL 43 N -2.32 0.05 0.45 3.82 -7.23 -1.26 -1.22 120.40 112.68 1va8 s VAL 43 Ca 0.52 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 60.37 1va8 s VAL 43 Cb -0.10 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.40 1va8 s VAL 43 CO 0.29 -0.22 0.57 0.00 -0.31 0.00 0.00 175.10 175.43 1va8 s ARG 44 N -0.87 2.68 -0.37 4.82 3.03 0.20 -4.69 118.95 123.75 1va8 s ARG 44 Ca -0.10 -1.37 -0.06 0.00 2.03 0.00 0.00 55.73 56.23 1va8 s ARG 44 Cb -0.05 -2.67 0.06 0.00 -1.03 0.00 0.00 34.95 31.26 1va8 s ARG 44 CO 0.02 -0.36 0.16 1.21 -1.13 0.00 0.00 175.30 175.19 1va8 s ASN 45 N -4.37 5.38 0.55 -2.89 3.04 -1.26 -2.86 114.94 112.53 1va8 s ASN 45 Ca 0.55 -1.37 -0.04 0.00 0.04 0.00 0.00 52.86 52.04 1va8 s ASN 45 Cb -0.08 -1.89 0.01 0.00 -1.54 0.00 0.00 41.25 37.75 1va8 s ASN 45 CO 0.33 -0.41 0.84 -1.61 -3.04 0.00 0.00 177.10 173.20 1va8 s GLU 46 N 1.37 2.96 0.00 0.43 0.41 0.29 -4.92 118.70 119.24 1va8 s GLU 46 Ca 0.01 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 1va8 s GLU 46 Cb -0.21 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 1va8 s GLU 46 CO 0.01 -0.58 0.00 -1.33 -0.49 0.00 0.00 175.26 172.87 1va8 n MET 47 N -2.44 0.00 -0.60 1.61 2.81 -1.26 -2.13 117.12 115.10 1va8 n MET 47 Ca 0.04 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1va8 n MET 47 Cb 0.58 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.08 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 -3.63 -0.02 -4.17 7.83 9.92 -1.26 -5.05 116.55 120.17 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 -0.07 -0.11 0.00 -0.64 0.00 0.00 41.12 40.30 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 -0.58 1.45 -0.33 -2.24 0.01 -0.91 -1.51 113.70 109.60 1va8 s SER 49 Ca 0.02 -0.75 -0.09 0.00 1.31 0.00 0.00 55.95 56.44 1va8 s SER 49 Cb 0.02 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1va8 s SER 49 CO -0.01 -0.22 0.15 -0.69 0.41 0.00 0.00 173.24 172.88 1va8 s VAL 50 N -2.13 4.36 0.16 3.43 1.01 -1.25 0.11 120.40 126.09 1va8 s VAL 50 Ca 0.03 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1va8 s VAL 50 Cb -0.05 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1va8 s VAL 50 CO 0.01 -0.05 -0.11 -0.63 0.00 0.00 0.00 175.10 174.31 1va8 s ILE 51 N 1.54 3.13 0.44 2.22 1.09 -1.13 0.13 121.20 128.62 1va8 s ILE 51 Ca 0.03 -1.59 -0.25 0.00 -1.10 0.00 0.00 60.65 57.74 1va8 s ILE 51 Cb -0.18 -2.52 -0.08 0.00 -1.06 0.00 0.00 42.46 38.62 1va8 s ILE 51 CO 0.05 -0.05 1.31 -0.63 -0.10 0.00 0.00 174.94 175.53 1va8 s ILE 52 N -1.54 2.52 -0.06 2.92 -1.09 0.45 0.59 121.20 124.99 1va8 s ILE 52 Ca 0.23 0.44 -0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1va8 s ILE 52 Cb -0.09 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1va8 s ILE 52 CO 0.14 0.05 -0.06 -0.24 -1.23 0.00 0.00 174.94 173.60 1va8 n SER 53 N -0.13 2.82 -3.56 3.58 2.88 -0.36 -3.39 113.62 115.47 1va8 n SER 53 Ca 0.05 -0.01 -0.11 0.00 -1.33 0.00 0.00 58.87 57.48 1va8 n SER 53 Cb 0.44 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.12 1.27 -0.18 -1.46 3.52 -1.00 -4.94 118.95 114.05 1va8 s ARG 54 Ca -0.08 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 1va8 s ARG 54 Cb 0.02 0.55 0.03 0.00 -1.56 0.00 0.00 34.95 33.99 1va8 s ARG 54 CO 0.13 -0.54 -0.13 0.42 -0.81 0.00 0.00 175.30 174.37 1va8 s ILE 55 N -3.80 1.68 0.02 4.11 -1.09 -1.26 0.17 121.20 121.02 1va8 s ILE 55 Ca 0.04 -0.85 -0.23 0.00 -2.23 0.00 0.00 60.65 57.37 1va8 s ILE 55 Cb -0.01 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.18 1va8 s ILE 55 CO -0.10 0.34 0.70 -0.69 -1.23 0.00 0.00 174.94 173.97 1va8 s VAL 56 N 1.42 4.82 0.45 2.92 1.01 0.47 -4.94 120.40 126.55 1va8 s VAL 56 Ca 0.02 1.49 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 1va8 s VAL 56 Cb -0.14 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1va8 s VAL 56 CO -0.10 0.37 1.14 -0.75 0.00 0.00 0.00 175.10 175.76 1va8 s LYS 57 N 0.00 3.82 0.00 2.72 2.36 -1.26 -2.88 119.74 124.50 1va8 s LYS 57 Ca 0.36 1.72 0.00 0.00 -2.55 0.00 0.00 55.97 55.50 1va8 s LYS 57 Cb -0.19 -2.42 0.00 0.00 -1.05 0.00 0.00 37.83 34.17 1va8 s LYS 57 CO 0.21 -0.49 0.00 0.41 1.55 0.00 0.00 175.35 177.03 1va8 n GLY 58 N 0.41 1.13 3.91 5.54 0.00 -1.26 -4.99 105.19 109.93 1va8 n GLY 58 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.82 1.61 0.11 -0.02 0.00 -1.14 -4.86 107.32 101.20 1va8 s GLY 59 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 44.72 43.93 1va8 s GLY 59 CO 0.00 -0.34 1.57 0.00 0.00 0.00 0.00 173.10 174.34 1va8 h ALA 60 N -0.24 0.45 -0.34 3.20 0.00 -0.98 -1.46 119.26 119.89 1va8 h ALA 60 Ca -0.45 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.31 1va8 h ALA 60 Cb 1.25 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1va8 h ALA 60 CO 0.61 0.17 -0.37 0.00 0.00 0.00 0.00 179.25 179.66 1va8 h ALA 61 N 0.88 -0.33 0.56 0.00 0.00 -1.83 0.24 119.26 118.78 1va8 h ALA 61 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1va8 h ALA 61 Cb 0.39 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1va8 h ALA 61 CO 0.01 -0.80 -0.38 1.49 0.00 0.00 0.00 179.25 179.57 1va8 h GLU 62 N -0.32 -0.86 -0.19 0.00 4.81 -1.78 1.04 114.58 117.28 1va8 h GLU 62 Ca 0.14 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1va8 h GLU 62 Cb 0.56 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1va8 h GLU 62 CO -0.51 -0.58 -0.11 1.63 -0.73 0.00 0.00 179.01 178.71 1va8 n LYS 63 N -4.79 -0.08 0.00 1.92 5.02 -0.56 -0.93 118.16 118.74 1va8 n LYS 63 Ca -0.11 1.09 -0.10 0.00 -2.02 0.00 0.00 58.31 57.17 1va8 n LYS 63 Cb 0.38 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1va8 n LYS 63 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1va8 h SER 64 N 0.00 -0.81 -1.03 4.39 0.02 -0.52 -3.47 113.55 112.13 1va8 h SER 64 Ca 0.03 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1va8 h SER 64 Cb 0.08 0.35 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1va8 h SER 64 CO -0.18 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 175.81 1va8 n GLY 65 N -1.38 0.72 0.00 -3.77 0.00 0.36 -4.99 105.19 96.13 1va8 n GLY 65 Ca -0.03 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.51 0.12 -4.54 0.99 4.77 -1.18 -4.94 117.00 111.70 1va8 n LEU 66 Ca 0.00 -0.15 -0.36 0.00 -0.03 0.00 0.00 56.01 55.47 1va8 n LEU 66 Cb 0.35 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1va8 n LEU 66 CO 0.00 0.03 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.09 1va8 s LEU 67 N -3.25 3.74 -0.02 2.23 2.01 -1.26 -5.01 118.68 117.11 1va8 s LEU 67 Ca -0.01 -0.06 0.02 0.00 0.01 0.00 0.00 54.13 54.08 1va8 s LEU 67 Cb 0.06 -2.00 0.01 0.00 0.01 0.00 0.00 46.19 44.26 1va8 s LEU 67 CO 0.36 0.02 -0.07 -1.00 1.01 0.00 0.00 176.35 176.66 1va8 s HIS 68 N 1.34 0.77 -0.31 0.29 3.76 -1.26 -4.80 115.29 115.08 1va8 s HIS 68 Ca 0.06 -0.18 -0.41 0.00 -0.15 0.00 0.00 55.06 54.38 1va8 s HIS 68 Cb -0.15 -0.57 -0.16 0.00 1.11 0.00 0.00 32.58 32.81 1va8 s HIS 68 CO 0.05 -0.09 1.75 0.39 -0.85 0.00 0.00 174.74 175.99 1va8 n GLU 69 N 3.34 1.01 0.00 1.40 1.02 -1.26 -0.57 120.64 125.59 1va8 n GLU 69 Ca -0.18 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1va8 n GLU 69 Cb 0.55 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 4.29 1.58 3.73 0.62 0.00 -1.22 -4.60 105.19 109.59 1va8 n GLY 70 Ca 0.28 0.00 -0.42 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 7.01 -0.24 1.61 1.01 0.27 -4.11 116.67 120.28 1va8 s ASP 71 Ca 0.00 2.24 -0.09 0.00 0.71 0.00 0.00 52.55 55.40 1va8 s ASP 71 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1va8 s ASP 71 CO 0.00 -0.47 0.13 -0.70 0.21 0.00 0.00 175.17 174.34 1va8 s GLU 72 N 0.25 3.96 -0.32 8.23 2.12 -1.15 -0.41 118.70 131.38 1va8 s GLU 72 Ca 0.57 -0.33 -0.19 0.00 0.36 0.00 0.00 54.97 55.37 1va8 s GLU 72 Cb -0.33 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.59 1va8 s GLU 72 CO 0.34 0.02 0.58 0.08 -0.54 0.00 0.00 175.26 175.75 1va8 s VAL 73 N 1.13 4.96 -0.21 3.70 1.01 0.36 -2.55 120.40 128.81 1va8 s VAL 73 Ca 0.06 0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 1va8 s VAL 73 Cb -0.14 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1va8 s VAL 73 CO 0.05 -0.17 -0.33 0.18 0.00 0.00 0.00 175.10 174.82 1va8 n LEU 74 N 5.84 1.94 -4.06 3.92 4.77 -0.70 -2.57 117.00 126.14 1va8 n LEU 74 Ca -0.02 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1va8 n LEU 74 Cb 0.49 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1va8 n LEU 74 CO 0.46 -0.03 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.49 1va8 s GLU 75 N -2.76 0.52 -0.19 3.23 2.02 -1.17 0.09 118.70 120.44 1va8 s GLU 75 Ca -0.31 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 53.81 1va8 s GLU 75 Cb 0.07 -0.16 0.06 0.00 0.10 0.00 0.00 34.13 34.20 1va8 s GLU 75 CO 0.44 0.01 0.07 0.42 0.02 0.00 0.00 175.26 176.23 1va8 s ILE 76 N -1.83 0.15 -0.07 -1.63 1.01 0.31 -0.66 121.20 118.48 1va8 s ILE 76 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1va8 s ILE 76 Cb -0.07 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1va8 s ILE 76 CO -0.01 -0.30 0.00 0.59 0.00 0.00 0.00 174.94 175.22 1va8 n ASN 77 N 5.19 -4.90 0.00 3.58 3.02 0.06 -1.41 115.26 120.80 1va8 n ASN 77 Ca -0.07 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1va8 n ASN 77 Cb 0.48 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.19 1va8 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1va8 n GLY 78 N -0.49 1.46 3.76 7.41 0.00 -1.26 -5.01 105.19 111.06 1va8 n GLY 78 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.42 0.75 -0.61 1.09 -0.50 -4.97 121.20 118.64 1va8 s ILE 79 Ca 0.00 1.35 -0.11 0.00 -1.10 0.00 0.00 60.65 60.78 1va8 s ILE 79 Cb 0.00 -3.83 0.05 0.00 -1.06 0.00 0.00 42.46 37.62 1va8 s ILE 79 CO 0.00 0.26 1.10 -1.61 -0.10 0.00 0.00 174.94 174.59 1va8 s GLU 80 N -1.73 2.34 0.00 2.79 2.02 -1.26 0.11 118.70 122.98 1va8 s GLU 80 Ca 0.48 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.70 1va8 s GLU 80 Cb -0.31 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1va8 s GLU 80 CO 0.40 -1.59 0.00 -0.89 0.02 0.00 0.00 175.26 173.20 1va8 n ILE 81 N -3.29 0.00 0.00 -1.63 2.08 0.11 -4.70 119.36 111.93 1va8 n ILE 81 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1va8 n ILE 81 Cb 0.53 -0.32 0.00 0.00 -0.75 0.00 0.00 39.64 39.10 1va8 n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1va8 n ARG 82 N -2.03 0.00 -0.48 0.38 1.74 -1.06 -0.26 116.66 114.95 1va8 n ARG 82 Ca 0.00 0.00 0.40 0.00 -0.77 0.00 0.00 57.85 57.48 1va8 n ARG 82 Cb 0.10 -0.26 0.69 0.00 -1.02 0.00 0.00 32.46 31.97 1va8 n ARG 82 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1va8 h GLY 83 N 0.00 0.99 -4.57 -0.13 0.00 -1.62 -3.32 103.07 94.42 1va8 h GLY 83 Ca 0.00 -0.09 -0.55 0.00 0.00 0.00 0.00 47.33 46.69 1va8 h GLY 83 CO 0.00 -0.30 0.80 0.28 0.00 0.00 0.00 176.54 177.32 1va8 n LYS 84 N -4.52 2.42 -1.53 4.80 5.02 0.64 -4.93 118.16 120.06 1va8 n LYS 84 Ca 0.38 0.86 -0.29 0.00 -2.02 0.00 0.00 58.31 57.24 1va8 n LYS 84 Cb 1.52 -2.62 0.12 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.59 3.76 0.11 4.39 -1.08 -1.26 -4.68 116.67 118.50 1va8 s ASP 85 Ca 0.69 1.07 -0.21 0.00 -0.52 0.00 0.00 52.55 53.58 1va8 s ASP 85 Cb -0.57 -1.69 -0.10 0.00 -1.46 0.00 0.00 42.92 39.10 1va8 s ASP 85 CO 0.45 -2.40 1.75 -0.37 0.52 0.00 0.00 175.17 175.12 1va8 h VAL 86 N -1.39 1.05 -0.31 1.11 -1.51 -1.90 -0.23 116.25 113.06 1va8 h VAL 86 Ca -0.50 -0.10 0.03 0.00 -1.23 0.00 0.00 66.70 64.90 1va8 h VAL 86 Cb 1.31 0.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.31 1va8 h VAL 86 CO 0.61 0.05 0.12 -1.13 -1.23 0.00 0.00 177.57 175.98 1va8 h ASN 87 N 0.18 0.14 -0.40 4.19 -0.73 -1.95 0.65 115.58 117.65 1va8 h ASN 87 Ca 0.05 0.03 0.08 0.00 1.87 0.00 0.00 56.30 58.33 1va8 h ASN 87 Cb -0.00 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 1va8 h ASN 87 CO -0.01 0.12 0.28 -0.33 -0.37 0.00 0.00 177.43 177.11 1va8 h GLU 88 N 0.26 0.18 0.03 6.67 5.08 -1.82 0.15 114.58 125.13 1va8 h GLU 88 Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1va8 h GLU 88 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1va8 h GLU 88 CO -0.13 0.12 -0.01 0.28 -1.00 0.00 0.00 179.01 178.27 1va8 h VAL 89 N 0.19 1.25 -0.77 3.13 2.07 0.75 -1.29 116.25 121.59 1va8 h VAL 89 Ca 0.18 -1.78 0.19 0.00 0.82 0.00 0.00 66.70 66.11 1va8 h VAL 89 Cb 0.48 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 1va8 h VAL 89 CO -0.03 0.40 0.53 -0.26 0.02 0.00 0.00 177.57 178.23 1va8 h PHE 90 N -0.94 0.28 0.13 1.57 0.04 0.80 0.28 116.94 119.10 1va8 h PHE 90 Ca -0.00 0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 1va8 h PHE 90 Cb 0.68 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1va8 h PHE 90 CO 0.18 0.09 -1.31 0.22 -0.60 0.00 0.00 178.31 176.88 1va8 h ASP 91 N 0.22 0.42 0.00 2.17 3.58 -0.77 -2.94 116.42 119.10 1va8 h ASP 91 Ca 0.38 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1va8 h ASP 91 Cb 1.17 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1va8 h ASP 91 CO -0.08 1.38 0.00 0.18 -2.88 0.00 0.00 179.24 177.84 1va8 n LEU 92 N -3.52 0.00 -0.28 2.28 4.77 0.80 -2.30 117.00 118.76 1va8 n LEU 92 Ca -0.10 0.96 0.03 0.00 -0.03 0.00 0.00 56.01 56.88 1va8 n LEU 92 Cb 1.03 -0.49 0.12 0.00 -2.33 0.00 0.00 43.42 41.74 1va8 n LEU 92 CO 0.53 -0.49 0.72 -0.07 -1.33 0.00 0.00 177.39 176.75 1va8 h LEU 93 N 0.00 -0.69 -0.97 2.23 3.38 -1.18 0.17 115.31 118.26 1va8 h LEU 93 Ca 0.00 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.32 1va8 h LEU 93 Cb 0.00 0.48 -0.13 0.00 0.09 0.00 0.00 40.66 41.10 1va8 h LEU 93 CO 0.00 -0.26 -0.51 -0.24 0.09 0.00 0.00 178.44 177.52 1va8 n SER 94 N -5.50 -0.89 -0.11 -0.43 2.88 -1.11 0.18 113.62 108.63 1va8 n SER 94 Ca 0.12 1.72 -0.01 0.00 -1.33 0.00 0.00 58.87 59.37 1va8 n SER 94 Cb 0.44 -0.28 0.23 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.72 -4.35 -3.46 3.32 -0.32 -3.43 116.42 108.90 1va8 h ASP 95 Ca 0.22 -0.11 -0.48 0.00 0.02 0.00 0.00 57.03 56.68 1va8 h ASP 95 Cb 0.46 -0.19 0.11 0.00 0.22 0.00 0.00 39.33 39.93 1va8 h ASP 95 CO -0.93 0.68 0.35 -0.04 -1.72 0.00 0.00 179.24 177.58 1va8 s MET 96 N -5.29 2.10 0.17 3.56 -1.94 0.48 -5.07 119.30 113.31 1va8 s MET 96 Ca -0.09 0.51 -0.19 0.00 -1.71 0.00 0.00 55.69 54.21 1va8 s MET 96 Cb 0.16 -1.93 0.07 0.00 2.01 0.00 0.00 34.83 35.13 1va8 s MET 96 CO 0.79 -1.58 0.90 -2.39 -0.01 0.00 0.00 175.02 172.73 1va8 n HIS 97 N -3.38 -1.28 -4.48 -0.03 1.44 -1.26 -4.84 115.22 101.38 1va8 n HIS 97 Ca 0.07 -1.13 0.00 0.00 -2.01 0.00 0.00 57.72 54.65 1va8 n HIS 97 Cb 0.57 0.55 0.00 0.00 0.12 0.00 0.00 29.99 31.23 1va8 n HIS 97 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1va8 n GLY 98 N -0.63 -0.70 3.55 -1.39 0.00 0.42 -4.51 105.19 101.92 1va8 n GLY 98 Ca -0.02 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 3.35 -0.13 2.61 2.01 -1.25 -1.48 115.64 120.75 1va8 s THR 99 Ca 0.00 0.20 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 1va8 s THR 99 Cb 0.00 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1va8 s THR 99 CO 0.00 -0.89 0.29 -0.76 -0.69 0.00 0.00 174.62 172.57 1va8 s LEU 100 N 9.11 4.30 -0.61 4.42 1.02 0.52 -4.86 118.68 132.57 1va8 s LEU 100 Ca 0.68 0.57 -0.23 0.00 0.02 0.00 0.00 54.13 55.17 1va8 s LEU 100 Cb -0.13 -2.37 0.06 0.00 0.02 0.00 0.00 46.19 43.78 1va8 s LEU 100 CO 0.21 0.17 0.91 -0.89 0.02 0.00 0.00 176.35 176.77 1va8 s THR 101 N 0.05 4.42 -0.31 5.49 2.01 -1.26 -1.65 115.64 124.39 1va8 s THR 101 Ca 0.17 -0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.78 1va8 s THR 101 Cb -0.13 -4.59 -0.01 0.00 0.01 0.00 0.00 72.50 67.78 1va8 s THR 101 CO 0.05 -1.27 0.62 -0.36 -0.69 0.00 0.00 174.62 172.98 1va8 s PHE 102 N 3.83 3.21 -0.69 4.92 0.40 0.27 -0.76 117.98 129.17 1va8 s PHE 102 Ca 0.24 0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 56.99 1va8 s PHE 102 Cb -0.16 -2.99 0.18 0.00 0.51 0.00 0.00 43.02 40.56 1va8 s PHE 102 CO 0.13 -0.48 0.62 0.08 0.70 0.00 0.00 175.22 176.27 1va8 s VAL 103 N 2.60 5.20 0.28 -0.44 1.01 0.16 0.38 120.40 129.59 1va8 s VAL 103 Ca 0.25 -2.14 0.02 0.00 0.00 0.00 0.00 61.98 60.11 1va8 s VAL 103 Cb -0.15 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1va8 s VAL 103 CO 0.12 -0.94 0.11 -1.48 0.00 0.00 0.00 175.10 172.91 1va8 s LEU 104 N 0.72 1.67 -0.12 3.92 0.05 -1.10 -1.72 118.68 122.10 1va8 s LEU 104 Ca 0.12 -1.44 0.02 0.00 0.05 0.00 0.00 54.13 52.88 1va8 s LEU 104 Cb -0.19 0.05 0.01 0.00 -2.05 0.00 0.00 46.19 44.02 1va8 s LEU 104 CO -0.04 -0.78 -0.20 -0.63 -0.55 0.00 0.00 176.35 174.16 1va8 s ILE 105 N -3.68 1.83 -0.29 1.48 1.01 -1.06 -0.44 121.20 120.05 1va8 s ILE 105 Ca 0.37 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1va8 s ILE 105 Cb 0.07 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 1va8 s ILE 105 CO 0.15 0.51 1.35 -2.16 0.00 0.00 0.00 174.94 174.78 1va8 s PRO 106 N 0.81 3.89 -0.70 2.79 0.04 -1.26 -2.95 135.00 137.62 1va8 s PRO 106 Ca -0.09 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1va8 s PRO 106 Cb -0.16 -3.90 -0.10 0.00 0.04 0.00 0.00 34.50 30.38 1va8 s PRO 106 CO -0.00 -1.15 1.88 0.45 0.04 0.00 0.00 177.00 178.22 1va8 n SER 107 N 7.76 3.28 -2.30 6.66 2.88 -1.26 -4.30 113.62 126.34 1va8 n SER 107 Ca 0.15 -2.42 -0.01 0.00 -1.33 0.00 0.00 58.87 55.26 1va8 n SER 107 Cb 0.46 -1.00 -0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1va8 n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1va8 n SER 108 N 5.73 -1.17 -1.32 -3.46 7.64 -1.26 -4.43 113.62 115.34 1va8 n SER 108 Ca 0.41 0.41 0.18 0.00 1.01 0.00 0.00 58.87 60.88 1va8 n SER 108 Cb 0.23 -1.18 -0.05 0.00 -1.01 0.00 0.00 64.21 62.20 1va8 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va8 n GLY 109 N -0.46 -1.87 2.87 0.23 0.00 -1.26 -3.90 105.19 100.80 1va8 n GLY 109 Ca -0.01 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1va8 n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1va8 n PRO 110 N -3.93 2.21 -1.59 1.61 -0.04 -1.26 -4.92 135.00 127.08 1va8 n PRO 110 Ca -0.00 -2.15 -0.62 0.00 -0.04 0.00 0.00 63.50 60.69 1va8 n PRO 110 Cb 0.66 -3.03 -0.09 0.00 -0.04 0.00 0.00 33.50 30.99 1va8 n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1va8 n SER 111 N 6.49 0.49 -4.49 3.54 7.64 -1.25 -4.81 113.62 121.23 1va8 n SER 111 Ca 0.52 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 61.14 1va8 n SER 111 Cb 0.37 -0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 1va8 n SER 111 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1va8 s SER 112 N 1.24 6.19 0.00 6.43 0.01 -1.26 -5.23 113.70 121.08 1va8 s SER 112 Ca 0.96 -0.83 0.28 0.00 1.31 0.00 0.00 55.95 57.68 1va8 s SER 112 Cb -1.35 -2.48 1.15 0.00 0.21 0.00 0.00 66.02 63.55 1va8 s SER 112 CO 0.67 -1.59 1.80 0.61 0.41 0.00 0.00 173.24 175.14