#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va8 h SER 2 N 0.00 -1.58 -0.10 1.61 0.87 -2.11 -3.42 113.55 108.82 1va8 h SER 2 Ca 0.00 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1va8 h SER 2 Cb 0.00 0.59 -0.14 0.00 -0.44 0.00 0.00 62.40 62.41 1va8 h SER 2 CO 0.00 -0.52 -0.09 -0.24 -0.53 0.00 0.00 176.83 175.45 1va8 n SER 3 N -5.35 -1.37 0.00 6.23 2.88 -1.26 -5.16 113.62 109.59 1va8 n SER 3 Ca -0.08 -1.27 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 1va8 n SER 3 Cb 0.39 0.72 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 1va8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va8 n GLY 4 N 2.15 4.27 3.03 0.46 0.00 -1.26 -5.14 105.19 108.70 1va8 n GLY 4 Ca 0.07 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 0.99 -0.21 1.61 0.15 -1.26 -4.82 113.70 110.16 1va8 s SER 5 Ca 0.00 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.13 1va8 s SER 5 Cb 0.00 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 1va8 s SER 5 CO 0.00 0.04 1.93 -0.44 1.20 0.00 0.00 173.24 175.98 1va8 s SER 6 N -0.50 5.92 -0.25 5.45 0.01 -1.26 -4.93 113.70 118.14 1va8 s SER 6 Ca 0.01 1.78 -0.02 0.00 1.31 0.00 0.00 55.95 59.03 1va8 s SER 6 Cb -0.05 -2.52 0.14 0.00 0.21 0.00 0.00 66.02 63.80 1va8 s SER 6 CO 0.00 -1.61 0.38 -0.83 0.41 0.00 0.00 173.24 171.59 1va8 s GLY 7 N 6.24 -0.42 0.00 3.44 0.00 -1.26 -5.16 107.32 110.16 1va8 s GLY 7 Ca 0.87 0.75 0.00 0.00 0.00 0.00 0.00 44.72 46.34 1va8 s GLY 7 CO 0.34 2.71 0.00 -1.55 0.00 0.00 0.00 173.10 174.61 1va8 n PRO 8 N 5.36 -0.44 -3.08 2.90 -0.04 -1.26 -5.01 135.00 133.44 1va8 n PRO 8 Ca -0.03 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.04 1va8 n PRO 8 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.96 4.95 0.85 0.52 -1.09 -1.26 -5.04 121.20 119.19 1va8 s ILE 9 Ca 0.00 1.42 -0.12 0.00 -2.23 0.00 0.00 60.65 59.72 1va8 s ILE 9 Cb 0.00 -4.02 0.10 0.00 -1.58 0.00 0.00 42.46 36.95 1va8 s ILE 9 CO 0.00 0.31 1.12 1.07 -1.23 0.00 0.00 174.94 176.21 1va8 n THR 10 N 3.34 1.22 -2.69 2.92 5.66 -1.26 -4.97 114.28 118.49 1va8 n THR 10 Ca -0.03 -0.14 -0.01 0.00 -3.05 0.00 0.00 64.05 60.82 1va8 n THR 10 Cb 0.51 -1.08 0.09 0.00 -1.55 0.00 0.00 70.33 68.30 1va8 n THR 10 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1va8 n ASP 11 N -3.40 -0.34 0.00 1.09 -0.08 -1.26 -4.93 116.55 107.63 1va8 n ASP 11 Ca 0.13 -2.14 0.00 0.00 -1.51 0.00 0.00 54.79 51.27 1va8 n ASP 11 Cb 0.51 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.21 1va8 n ASP 11 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1va8 n GLU 12 N -1.10 -0.18 -3.42 -0.67 2.13 -1.26 -4.91 120.64 111.23 1va8 n GLU 12 Ca -0.09 0.04 -0.26 0.00 0.66 0.00 0.00 57.16 57.51 1va8 n GLU 12 Cb 0.85 -3.12 -0.09 0.00 0.27 0.00 0.00 31.44 29.35 1va8 n GLU 12 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1va8 n ARG 13 N -2.10 1.12 -0.77 5.31 1.74 -1.26 -4.81 116.66 115.89 1va8 n ARG 13 Ca 0.00 -3.72 0.00 0.00 -0.77 0.00 0.00 57.85 53.36 1va8 n ARG 13 Cb 0.04 -1.74 -0.00 0.00 -1.02 0.00 0.00 32.46 29.74 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 1.81 0.00 -3.58 1.55 0.31 -1.26 -5.01 118.33 112.15 1va8 n VAL 14 Ca 0.25 -0.23 -0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1va8 n VAL 14 Cb 0.46 0.51 -0.00 0.00 -0.91 0.00 0.00 33.84 33.90 1va8 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1va8 n TYR 15 N 0.11 -1.26 -0.97 3.52 0.18 -1.26 -5.15 117.16 112.34 1va8 n TYR 15 Ca -0.01 -0.02 0.00 0.00 1.88 0.00 0.00 57.90 59.75 1va8 n TYR 15 Cb 0.76 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.72 1va8 n TYR 15 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1va8 n GLU 16 N -0.43 3.83 -1.54 -3.48 2.13 -1.26 -4.98 120.64 114.92 1va8 n GLU 16 Ca -0.00 0.00 -0.47 0.00 0.66 0.00 0.00 57.16 57.35 1va8 n GLU 16 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.67 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 2.79 0.20 4.31 3.41 -1.26 -4.79 113.62 118.28 1va8 n SER 17 Ca 0.00 0.33 0.07 0.00 -0.26 0.00 0.00 58.87 59.02 1va8 n SER 17 Cb 0.00 -1.42 0.35 0.00 -0.26 0.00 0.00 64.21 62.88 1va8 n SER 17 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1va8 h ILE 18 N 7.04 0.70 0.00 -1.33 1.08 -2.03 -3.47 117.51 119.50 1va8 h ILE 18 Ca -0.35 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 1va8 h ILE 18 Cb 1.28 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 1va8 h ILE 18 CO 0.98 0.30 0.00 0.61 -0.69 0.00 0.00 178.15 179.36 1va8 n GLY 19 N 0.34 2.38 2.61 5.37 0.00 -1.26 -4.61 105.19 110.02 1va8 n GLY 19 Ca 0.00 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 2.65 -1.54 1.61 1.44 -1.26 -3.82 115.22 114.30 1va8 n HIS 20 Ca 0.00 -2.75 -0.29 0.00 -2.01 0.00 0.00 57.72 52.67 1va8 n HIS 20 Cb 0.00 -2.32 -0.07 0.00 0.12 0.00 0.00 29.99 27.72 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 5.12 1.15 0.00 -1.40 4.02 -1.26 -4.61 117.16 120.18 1va8 n TYR 21 Ca 0.60 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.60 1va8 n TYR 21 Cb 0.30 -2.46 0.00 0.00 -0.02 0.00 0.00 39.34 37.16 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 6.27 3.72 0.06 2.72 0.00 -1.26 -2.51 105.19 114.19 1va8 n GLY 22 Ca 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.00 0.00 -0.02 0.00 -1.26 -4.98 105.19 97.93 1va8 n GLY 23 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.56 -0.61 -3.76 1.61 2.13 -1.05 -5.08 120.64 111.33 1va8 n GLU 24 Ca -0.21 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.42 1va8 n GLU 24 Cb 0.92 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.46 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 -0.90 0.03 0.28 6.31 -4.23 -1.26 -4.24 115.64 111.62 1va8 s THR 25 Ca 0.00 0.27 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 1va8 s THR 25 Cb 0.00 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.59 1va8 s THR 25 CO 0.00 0.16 0.17 0.68 -0.54 0.00 0.00 174.62 175.09 1va8 s VAL 26 N 1.66 3.97 -0.19 2.29 -7.23 -1.25 -4.79 120.40 114.86 1va8 s VAL 26 Ca -0.01 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1va8 s VAL 26 Cb -0.13 -3.22 0.02 0.00 0.56 0.00 0.00 36.38 33.62 1va8 s VAL 26 CO -0.03 -0.31 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.51 1va8 s LYS 27 N -3.84 2.88 -0.41 4.82 2.20 0.17 -4.95 119.74 120.61 1va8 s LYS 27 Ca 0.34 -0.87 -0.18 0.00 -0.36 0.00 0.00 55.97 54.91 1va8 s LYS 27 Cb -0.07 -2.58 0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1va8 s LYS 27 CO 0.24 -0.25 0.47 0.42 -0.36 0.00 0.00 175.35 175.87 1va8 s ILE 28 N 1.28 5.05 -0.21 5.43 1.09 -1.26 -1.70 121.20 130.88 1va8 s ILE 28 Ca 0.04 -0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.39 1va8 s ILE 28 Cb -0.14 -4.04 0.02 0.00 -1.06 0.00 0.00 42.46 37.24 1va8 s ILE 28 CO -0.12 -0.40 -0.12 0.68 -0.10 0.00 0.00 174.94 174.87 1va8 s VAL 29 N 2.25 2.57 -0.28 2.92 -7.23 0.13 -4.93 120.40 115.83 1va8 s VAL 29 Ca 0.14 -0.93 -0.17 0.00 -1.81 0.00 0.00 61.98 59.22 1va8 s VAL 29 Cb -0.16 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1va8 s VAL 29 CO 0.14 0.37 0.45 -0.13 -0.31 0.00 0.00 175.10 175.63 1va8 s ARG 30 N 1.32 3.96 -0.04 4.82 0.52 -1.26 -0.82 118.95 127.46 1va8 s ARG 30 Ca 0.03 0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1va8 s ARG 30 Cb -0.15 -3.68 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 1va8 s ARG 30 CO -0.08 -0.37 -0.20 0.42 0.02 0.00 0.00 175.30 175.09 1va8 s ILE 31 N 2.21 2.52 -0.27 1.52 1.01 -0.53 -4.91 121.20 122.76 1va8 s ILE 31 Ca 0.18 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1va8 s ILE 31 Cb -0.16 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1va8 s ILE 31 CO 0.10 0.58 0.76 -1.61 0.00 0.00 0.00 174.94 174.77 1va8 s GLU 32 N -0.57 4.09 0.26 2.79 2.02 -1.26 -0.32 118.70 125.71 1va8 s GLU 32 Ca 0.08 0.72 0.11 0.00 0.02 0.00 0.00 54.97 55.90 1va8 s GLU 32 Cb -0.11 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 1va8 s GLU 32 CO 0.00 -0.54 -0.14 0.21 0.02 0.00 0.00 175.26 174.82 1va8 s LYS 33 N 2.78 1.87 0.41 1.61 2.20 0.15 -4.90 119.74 123.87 1va8 s LYS 33 Ca 0.32 -1.62 0.08 0.00 -0.36 0.00 0.00 55.97 54.38 1va8 s LYS 33 Cb -0.15 -1.91 -0.03 0.00 -1.51 0.00 0.00 37.83 34.23 1va8 s LYS 33 CO 0.09 0.35 0.33 0.00 -0.36 0.00 0.00 175.35 175.76 1va8 s ALA 34 N -2.36 3.95 -2.03 3.13 0.00 -1.26 0.55 121.76 123.74 1va8 s ALA 34 Ca 0.30 -1.93 0.16 0.00 0.00 0.00 0.00 51.96 50.48 1va8 s ALA 34 Cb -0.06 -0.87 0.89 0.00 0.00 0.00 0.00 23.12 23.08 1va8 s ALA 34 CO 0.16 -0.20 1.58 0.54 0.00 0.00 0.00 175.76 177.84 1va8 n ARG 35 N -1.47 1.10 -0.80 0.00 1.74 -1.26 -3.17 116.66 112.79 1va8 n ARG 35 Ca 0.02 -0.15 -0.01 0.00 -0.77 0.00 0.00 57.85 56.94 1va8 n ARG 35 Cb 0.62 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.59 -0.04 -4.33 0.55 -0.08 -1.26 -5.08 116.55 105.71 1va8 n ASP 36 Ca 0.12 -1.68 -0.34 0.00 -1.51 0.00 0.00 54.79 51.38 1va8 n ASP 36 Cb 0.09 -0.04 -0.14 0.00 2.34 0.00 0.00 41.12 43.37 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 0.00 3.31 0.17 5.18 -1.09 -1.19 -5.09 121.20 122.48 1va8 s ILE 37 Ca 0.06 -0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 57.65 1va8 s ILE 37 Cb 0.07 -2.47 -0.07 0.00 -1.58 0.00 0.00 42.46 38.41 1va8 s ILE 37 CO -0.03 0.46 1.12 -2.16 -1.23 0.00 0.00 174.94 173.09 1va8 s PRO 38 N 1.12 4.56 0.20 2.79 0.04 -1.26 -4.51 135.00 137.95 1va8 s PRO 38 Ca 0.01 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1va8 s PRO 38 Cb -0.15 -3.28 0.19 0.00 0.04 0.00 0.00 34.50 31.31 1va8 s PRO 38 CO -0.01 0.02 1.61 1.25 0.04 0.00 0.00 177.00 179.91 1va8 h LEU 39 N 5.26 -0.84 -0.22 -3.56 5.85 -1.97 -3.20 115.31 116.62 1va8 h LEU 39 Ca -0.44 0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1va8 h LEU 39 Cb 1.21 0.48 0.01 0.00 0.37 0.00 0.00 40.66 42.73 1va8 h LEU 39 CO 0.73 -0.26 -0.12 0.61 -0.34 0.00 0.00 178.44 179.06 1va8 n GLY 40 N -1.44 0.44 2.96 3.75 0.00 -1.26 -0.83 105.19 108.81 1va8 n GLY 40 Ca 0.06 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.66 -0.43 0.40 4.61 0.00 -1.26 0.91 121.76 123.33 1va8 s ALA 41 Ca 0.06 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 1va8 s ALA 41 Cb -0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.18 1va8 s ALA 41 CO 0.08 -0.50 0.78 0.99 0.00 0.00 0.00 175.76 177.11 1va8 s THR 42 N 2.07 4.75 -0.03 0.00 2.01 0.43 -4.93 115.64 119.95 1va8 s THR 42 Ca -0.01 0.71 -0.07 0.00 0.31 0.00 0.00 61.69 62.63 1va8 s THR 42 Cb -0.12 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.69 1va8 s THR 42 CO -0.08 -0.48 0.17 0.68 -0.69 0.00 0.00 174.62 174.22 1va8 s VAL 43 N -2.33 0.05 0.22 3.82 -7.23 -1.26 -1.16 120.40 112.51 1va8 s VAL 43 Ca 0.52 -0.41 0.07 0.00 -1.81 0.00 0.00 61.98 60.35 1va8 s VAL 43 Cb -0.10 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1va8 s VAL 43 CO 0.29 -0.22 0.15 0.00 -0.31 0.00 0.00 175.10 175.01 1va8 s ARG 44 N -0.80 2.84 -0.28 4.82 1.70 0.17 -4.70 118.95 122.70 1va8 s ARG 44 Ca -0.09 -1.03 -0.15 0.00 -0.47 0.00 0.00 55.73 53.98 1va8 s ARG 44 Cb -0.05 -2.54 -0.03 0.00 -0.57 0.00 0.00 34.95 31.75 1va8 s ARG 44 CO 0.01 0.42 0.39 1.21 -1.08 0.00 0.00 175.30 176.25 1va8 s ASN 45 N -3.57 6.26 0.33 -2.89 3.04 -1.26 -2.49 114.94 114.35 1va8 s ASN 45 Ca 0.32 0.26 0.07 0.00 0.04 0.00 0.00 52.86 53.55 1va8 s ASN 45 Cb -0.08 -2.22 -0.02 0.00 -1.54 0.00 0.00 41.25 37.39 1va8 s ASN 45 CO 0.24 -0.21 0.39 -1.61 -3.04 0.00 0.00 177.10 172.86 1va8 s GLU 46 N 2.10 2.96 0.00 0.43 0.41 0.15 -4.97 118.70 119.79 1va8 s GLU 46 Ca 0.15 -1.12 0.00 0.00 -0.41 0.00 0.00 54.97 53.59 1va8 s GLU 46 Cb -0.16 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1va8 s GLU 46 CO 0.10 0.09 0.00 -1.33 -0.49 0.00 0.00 175.26 173.63 1va8 n MET 47 N -1.52 0.00 -0.73 1.61 2.81 -1.26 -2.31 117.12 115.72 1va8 n MET 47 Ca -0.01 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 1va8 n MET 47 Cb 0.59 0.00 -0.02 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 -3.91 -0.18 -4.15 7.83 9.92 -1.26 -5.00 116.55 119.80 1va8 n ASP 48 Ca 0.00 -1.53 -0.14 0.00 -0.53 0.00 0.00 54.79 52.59 1va8 n ASP 48 Cb 0.00 0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.39 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 -0.62 1.31 -0.42 -2.24 0.01 -0.98 -1.43 113.70 109.34 1va8 s SER 49 Ca 0.03 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.47 1va8 s SER 49 Cb 0.04 0.01 0.08 0.00 0.21 0.00 0.00 66.02 66.35 1va8 s SER 49 CO -0.02 -0.23 0.26 -0.69 0.41 0.00 0.00 173.24 172.97 1va8 s VAL 50 N -2.08 4.24 0.13 3.43 1.01 -1.25 0.35 120.40 126.23 1va8 s VAL 50 Ca 0.01 -1.38 0.05 0.00 0.00 0.00 0.00 61.98 60.66 1va8 s VAL 50 Cb -0.05 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1va8 s VAL 50 CO 0.00 -0.49 0.07 -0.63 0.00 0.00 0.00 175.10 174.05 1va8 s ILE 51 N 1.43 4.26 0.53 2.22 1.09 -1.04 0.18 121.20 129.87 1va8 s ILE 51 Ca 0.03 -1.06 -0.21 0.00 -1.10 0.00 0.00 60.65 58.32 1va8 s ILE 51 Cb -0.23 -3.11 -0.05 0.00 -1.06 0.00 0.00 42.46 38.01 1va8 s ILE 51 CO 0.02 -0.01 1.19 -0.63 -0.10 0.00 0.00 174.94 175.41 1va8 s ILE 52 N -1.58 2.86 -0.03 2.92 -1.09 0.02 0.42 121.20 124.73 1va8 s ILE 52 Ca 0.29 0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 59.27 1va8 s ILE 52 Cb -0.11 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 1va8 s ILE 52 CO 0.21 -0.07 -0.04 -0.24 -1.23 0.00 0.00 174.94 173.56 1va8 n SER 53 N -1.12 0.42 -3.81 3.58 2.88 -0.31 -3.62 113.62 111.64 1va8 n SER 53 Ca 0.11 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1va8 n SER 53 Cb 0.49 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.78 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 -2.06 0.87 -0.21 -1.46 3.52 -1.05 -4.94 118.95 113.62 1va8 s ARG 54 Ca -0.05 -0.87 0.01 0.00 -0.13 0.00 0.00 55.73 54.69 1va8 s ARG 54 Cb 0.02 0.36 0.04 0.00 -1.56 0.00 0.00 34.95 33.81 1va8 s ARG 54 CO 0.06 -0.29 -0.13 0.42 -0.81 0.00 0.00 175.30 174.56 1va8 s ILE 55 N -3.69 1.85 0.37 4.11 -1.09 -1.26 0.16 121.20 121.64 1va8 s ILE 55 Ca 0.03 -1.13 -0.22 0.00 -2.23 0.00 0.00 60.65 57.10 1va8 s ILE 55 Cb 0.04 -1.87 -0.10 0.00 -1.58 0.00 0.00 42.46 38.95 1va8 s ILE 55 CO -0.10 0.21 0.92 -0.69 -1.23 0.00 0.00 174.94 174.05 1va8 s VAL 56 N 1.31 4.35 0.56 2.92 1.01 0.26 -4.95 120.40 125.86 1va8 s VAL 56 Ca -0.01 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 1va8 s VAL 56 Cb -0.16 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1va8 s VAL 56 CO -0.09 -0.10 1.01 -0.75 0.00 0.00 0.00 175.10 175.18 1va8 s LYS 57 N -2.65 3.68 0.00 2.72 2.47 -1.26 -3.31 119.74 121.39 1va8 s LYS 57 Ca 0.56 0.97 0.00 0.00 -1.56 0.00 0.00 55.97 55.94 1va8 s LYS 57 Cb -0.13 -2.09 0.00 0.00 -1.46 0.00 0.00 37.83 34.14 1va8 s LYS 57 CO 0.18 -0.49 0.00 0.41 0.16 0.00 0.00 175.35 175.61 1va8 n GLY 58 N -1.70 0.13 3.81 5.54 0.00 -1.26 -4.95 105.19 106.76 1va8 n GLY 58 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 2.64 0.58 -0.02 0.00 -1.21 -4.83 107.32 102.48 1va8 s GLY 59 Ca 0.00 0.13 0.29 0.00 0.00 0.00 0.00 44.72 45.14 1va8 s GLY 59 CO 0.00 0.50 1.93 0.00 0.00 0.00 0.00 173.10 175.53 1va8 h ALA 60 N 3.68 2.17 0.11 3.20 0.00 -0.98 1.48 119.26 128.92 1va8 h ALA 60 Ca -0.48 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1va8 h ALA 60 Cb 1.20 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1va8 h ALA 60 CO 0.65 -0.67 -0.76 0.00 0.00 0.00 0.00 179.25 178.48 1va8 h ALA 61 N 1.52 -0.05 0.13 0.00 0.00 -1.59 -3.19 119.26 116.08 1va8 h ALA 61 Ca 0.21 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1va8 h ALA 61 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1va8 h ALA 61 CO -0.00 0.37 -0.06 1.49 0.00 0.00 0.00 179.25 181.04 1va8 h GLU 62 N -0.31 -0.17 -0.76 0.00 4.81 -0.67 -0.04 114.58 117.44 1va8 h GLU 62 Ca -0.12 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1va8 h GLU 62 Cb 1.56 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.88 1va8 h GLU 62 CO 0.14 0.27 -0.45 1.63 -0.73 0.00 0.00 179.01 179.88 1va8 n LYS 63 N -4.93 -0.33 -0.18 1.92 5.02 0.47 0.21 118.16 120.33 1va8 n LYS 63 Ca -0.08 1.35 -0.08 0.00 -2.02 0.00 0.00 58.31 57.47 1va8 n LYS 63 Cb 0.27 -1.98 0.01 0.00 -0.02 0.00 0.00 35.03 33.31 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 0.66 -1.08 4.39 4.64 -1.63 -3.47 113.55 117.06 1va8 h SER 64 Ca 0.12 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1va8 h SER 64 Cb 0.31 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1va8 h SER 64 CO -0.71 0.61 -0.04 0.61 -0.87 0.00 0.00 176.83 176.43 1va8 n GLY 65 N -0.90 0.77 0.01 -0.77 0.00 0.13 -4.95 105.19 99.47 1va8 n GLY 65 Ca 0.02 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 0.70 -4.61 0.99 4.77 -1.18 -4.88 117.00 112.13 1va8 n LEU 66 Ca -0.00 -0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.33 1va8 n LEU 66 Cb 0.50 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1va8 n LEU 66 CO 0.03 0.16 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.22 1va8 s LEU 67 N -3.46 3.68 -0.05 2.23 2.01 -1.25 -4.97 118.68 116.87 1va8 s LEU 67 Ca 0.04 0.04 0.01 0.00 0.01 0.00 0.00 54.13 54.23 1va8 s LEU 67 Cb 0.15 -1.92 0.02 0.00 0.01 0.00 0.00 46.19 44.46 1va8 s LEU 67 CO 0.86 0.19 -0.06 -1.00 1.01 0.00 0.00 176.35 177.36 1va8 s HIS 68 N 0.28 0.85 -0.09 0.29 3.76 -1.26 -4.89 115.29 114.23 1va8 s HIS 68 Ca 0.02 -0.26 -0.39 0.00 -0.15 0.00 0.00 55.06 54.28 1va8 s HIS 68 Cb -0.13 -0.72 -0.17 0.00 1.11 0.00 0.00 32.58 32.67 1va8 s HIS 68 CO 0.01 -0.20 1.42 0.39 -0.85 0.00 0.00 174.74 175.51 1va8 n GLU 69 N 4.02 0.81 0.00 1.40 1.02 -1.26 -1.30 120.64 125.33 1va8 n GLU 69 Ca -0.24 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1va8 n GLU 69 Cb 0.51 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 2.92 0.77 3.71 0.62 0.00 -1.24 -4.87 105.19 107.10 1va8 n GLY 70 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 6.96 -0.16 1.61 1.01 -0.42 -3.45 116.67 120.28 1va8 s ASP 71 Ca 0.00 1.16 -0.15 0.00 0.71 0.00 0.00 52.55 54.26 1va8 s ASP 71 Cb 0.00 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1va8 s ASP 71 CO 0.00 -0.14 0.36 -0.70 0.21 0.00 0.00 175.17 174.90 1va8 s GLU 72 N 0.94 4.25 0.04 8.23 2.12 -1.08 -0.80 118.70 132.41 1va8 s GLU 72 Ca 0.37 0.19 -0.20 0.00 0.36 0.00 0.00 54.97 55.68 1va8 s GLU 72 Cb -0.17 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 1va8 s GLU 72 CO 0.17 0.14 0.59 0.08 -0.54 0.00 0.00 175.26 175.70 1va8 s VAL 73 N 0.74 4.80 0.00 3.70 1.01 0.48 -2.05 120.40 129.08 1va8 s VAL 73 Ca 0.19 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1va8 s VAL 73 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1va8 s VAL 73 CO 0.06 0.49 0.00 0.18 0.00 0.00 0.00 175.10 175.83 1va8 n LEU 74 N 2.16 0.21 -3.90 3.92 4.77 -0.86 -3.94 117.00 119.36 1va8 n LEU 74 Ca -0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1va8 n LEU 74 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1va8 n LEU 74 CO 0.42 -0.08 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.50 1va8 s GLU 75 N -1.98 0.25 -0.18 3.23 2.02 -1.18 0.99 118.70 121.84 1va8 s GLU 75 Ca 0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.67 1va8 s GLU 75 Cb 0.00 0.10 0.06 0.00 0.10 0.00 0.00 34.13 34.39 1va8 s GLU 75 CO 0.00 -0.05 0.08 0.42 0.02 0.00 0.00 175.26 175.73 1va8 s ILE 76 N -0.82 0.09 -0.38 -1.63 1.01 0.23 -0.79 121.20 118.91 1va8 s ILE 76 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1va8 s ILE 76 Cb -0.05 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1va8 s ILE 76 CO 0.00 -0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.24 1va8 n ASN 77 N 5.21 -4.71 0.00 3.58 3.02 0.81 -1.58 115.26 121.59 1va8 n ASN 77 Ca -0.07 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1va8 n ASN 77 Cb 0.48 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 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 -0.85 1.82 3.75 7.41 0.00 -1.26 -4.94 105.19 111.11 1va8 n GLY 78 Ca -0.04 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 -2.01 3.22 0.44 -0.61 1.09 -0.62 -4.97 121.20 117.74 1va8 s ILE 79 Ca 0.00 1.11 -0.22 0.00 -1.10 0.00 0.00 60.65 60.45 1va8 s ILE 79 Cb 0.00 -3.71 -0.09 0.00 -1.06 0.00 0.00 42.46 37.60 1va8 s ILE 79 CO 0.00 0.22 1.02 -0.70 -0.10 0.00 0.00 174.94 175.38 1va8 s GLU 80 N -0.93 4.03 -0.05 2.79 2.12 -1.26 0.74 118.70 126.14 1va8 s GLU 80 Ca 0.51 1.36 -0.01 0.00 0.36 0.00 0.00 54.97 57.19 1va8 s GLU 80 Cb -0.35 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 1va8 s GLU 80 CO 0.43 -0.23 -0.05 -0.89 -0.54 0.00 0.00 175.26 173.98 1va8 n ILE 81 N -0.56 0.25 -1.36 -3.70 2.08 0.28 -4.84 119.36 111.51 1va8 n ILE 81 Ca 0.07 -0.08 -0.58 0.00 0.56 0.00 0.00 62.75 62.72 1va8 n ILE 81 Cb 0.52 -1.01 -0.10 0.00 -0.75 0.00 0.00 39.64 38.29 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 -2.86 0.00 0.00 0.38 3.00 -1.20 0.18 116.66 116.16 1va8 n ARG 82 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1va8 n ARG 82 Cb 0.58 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.67 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 5.26 3.03 3.43 5.14 0.00 -0.51 -4.98 105.19 116.57 1va8 n GLY 83 Ca 0.39 -0.84 -0.46 0.00 0.00 0.00 0.00 46.02 45.12 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 0.33 -2.31 1.61 5.02 0.47 -4.85 118.16 118.44 1va8 n LYS 84 Ca 0.00 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 1va8 n LYS 84 Cb 0.00 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.91 6.98 0.45 4.39 -1.08 -1.26 -4.83 116.67 120.42 1va8 s ASP 85 Ca 0.62 2.44 0.30 0.00 -0.52 0.00 0.00 52.55 55.40 1va8 s ASP 85 Cb -0.82 -2.63 1.40 0.00 -1.46 0.00 0.00 42.92 39.41 1va8 s ASP 85 CO 0.58 -0.36 1.67 1.62 0.52 0.00 0.00 175.17 179.19 1va8 h VAL 86 N 2.97 0.22 -0.02 1.11 3.04 -1.90 1.52 116.25 123.20 1va8 h VAL 86 Ca -0.48 -0.05 -0.19 0.00 -1.01 0.00 0.00 66.70 64.97 1va8 h VAL 86 Cb 1.22 0.08 0.01 0.00 -2.01 0.00 0.00 31.29 30.59 1va8 h VAL 86 CO 0.66 0.02 -0.73 -1.13 -1.01 0.00 0.00 177.57 175.38 1va8 h ASN 87 N 0.13 0.69 -0.71 3.17 -0.73 -1.94 -2.98 115.58 113.21 1va8 h ASN 87 Ca 0.76 -0.73 0.14 0.00 1.87 0.00 0.00 56.30 58.34 1va8 h ASN 87 Cb 2.43 -0.21 -0.10 0.00 0.27 0.00 0.00 38.32 40.72 1va8 h ASN 87 CO -0.31 1.32 0.22 -0.08 -0.37 0.00 0.00 177.43 178.20 1va8 h GLU 88 N 0.12 0.33 0.00 6.67 4.22 0.18 0.26 114.58 126.35 1va8 h GLU 88 Ca -0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1va8 h GLU 88 Cb 1.42 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1va8 h GLU 88 CO 0.15 0.22 -0.00 0.28 -2.18 0.00 0.00 179.01 177.47 1va8 h VAL 89 N 0.34 1.02 -0.41 0.32 2.07 -1.16 0.73 116.25 119.15 1va8 h VAL 89 Ca 0.39 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.92 1va8 h VAL 89 Cb 0.61 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1va8 h VAL 89 CO -0.43 0.02 0.06 -0.26 0.02 0.00 0.00 177.57 176.98 1va8 h PHE 90 N -0.03 0.10 -0.07 1.57 0.04 -0.93 0.14 116.94 117.76 1va8 h PHE 90 Ca -0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1va8 h PHE 90 Cb 0.03 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1va8 h PHE 90 CO -0.07 -0.01 -0.09 0.22 -0.60 0.00 0.00 178.31 177.76 1va8 h ASP 91 N 0.19 0.10 0.02 2.17 1.82 -0.28 -1.31 116.42 119.12 1va8 h ASP 91 Ca 0.20 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1va8 h ASP 91 Cb 0.26 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1va8 h ASP 91 CO -0.28 0.21 -0.01 -0.07 -1.61 0.00 0.00 179.24 177.48 1va8 h LEU 92 N 0.11 -0.03 -0.74 2.28 3.38 0.16 -2.47 115.31 118.01 1va8 h LEU 92 Ca 0.02 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1va8 h LEU 92 Cb 0.24 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 1va8 h LEU 92 CO 0.01 -0.01 -0.53 -0.07 0.09 0.00 0.00 178.44 177.93 1va8 h LEU 93 N -0.05 -1.88 -0.92 1.67 -0.00 -0.82 0.44 115.31 113.74 1va8 h LEU 93 Ca -0.00 0.27 0.16 0.00 -0.00 0.00 0.00 57.88 58.31 1va8 h LEU 93 Cb 0.02 0.81 -0.16 0.00 -0.00 0.00 0.00 40.66 41.34 1va8 h LEU 93 CO 0.01 -0.26 -0.30 -0.24 -0.00 0.00 0.00 178.44 177.64 1va8 n SER 94 N -5.07 -0.48 -0.19 -0.43 2.88 -0.50 0.20 113.62 110.03 1va8 n SER 94 Ca 0.00 1.60 -0.07 0.00 -1.33 0.00 0.00 58.87 59.07 1va8 n SER 94 Cb 0.26 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.68 -4.27 -3.46 3.58 0.15 -3.43 116.42 109.66 1va8 h ASP 95 Ca 0.37 -0.11 -0.49 0.00 0.42 0.00 0.00 57.03 57.23 1va8 h ASP 95 Cb 0.61 -0.17 0.12 0.00 1.72 0.00 0.00 39.33 41.60 1va8 h ASP 95 CO -0.93 0.59 0.33 -0.04 -2.88 0.00 0.00 179.24 176.30 1va8 s MET 96 N -5.80 2.05 0.06 0.28 -1.94 0.52 -5.08 119.30 109.40 1va8 s MET 96 Ca -0.13 0.71 -0.26 0.00 -1.71 0.00 0.00 55.69 54.30 1va8 s MET 96 Cb 0.12 -1.91 0.09 0.00 2.01 0.00 0.00 34.83 35.14 1va8 s MET 96 CO 0.76 -1.66 0.77 -3.38 -0.01 0.00 0.00 175.02 171.50 1va8 s HIS 97 N -3.11 -0.43 0.00 -0.03 -3.43 -1.26 -4.83 115.29 102.20 1va8 s HIS 97 Ca 0.61 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 1va8 s HIS 97 Cb -0.15 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 1va8 s HIS 97 CO 0.55 -0.67 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 1va8 n GLY 98 N -0.28 -1.79 3.55 -1.38 0.00 0.19 -4.77 105.19 100.71 1va8 n GLY 98 Ca -0.12 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 0.04 2.61 2.01 -1.25 -0.67 115.64 121.70 1va8 s THR 99 Ca 0.00 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 1va8 s THR 99 Cb 0.00 -3.83 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1va8 s THR 99 CO 0.00 -0.80 0.46 -0.76 -0.69 0.00 0.00 174.62 172.83 1va8 s LEU 100 N 9.79 4.46 -0.53 4.42 1.02 0.56 -4.85 118.68 133.55 1va8 s LEU 100 Ca 0.72 1.03 -0.18 0.00 0.02 0.00 0.00 54.13 55.72 1va8 s LEU 100 Cb -0.12 -2.78 0.08 0.00 0.02 0.00 0.00 46.19 43.40 1va8 s LEU 100 CO 0.17 0.27 0.57 -0.89 0.02 0.00 0.00 176.35 176.49 1va8 s THR 101 N -1.17 5.00 -0.26 5.49 2.01 -1.26 -1.45 115.64 124.00 1va8 s THR 101 Ca 0.28 -0.92 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 1va8 s THR 101 Cb -0.17 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 1va8 s THR 101 CO 0.16 -0.84 0.50 -0.36 -0.69 0.00 0.00 174.62 173.39 1va8 s PHE 102 N 2.24 3.26 -0.54 4.92 0.40 0.00 -0.14 117.98 128.13 1va8 s PHE 102 Ca 0.09 0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 57.00 1va8 s PHE 102 Cb -0.23 -2.71 0.14 0.00 0.51 0.00 0.00 43.02 40.73 1va8 s PHE 102 CO 0.08 -0.28 0.37 0.08 0.70 0.00 0.00 175.22 176.16 1va8 s VAL 103 N 2.29 3.73 0.20 -0.44 1.01 0.03 0.21 120.40 127.43 1va8 s VAL 103 Ca 0.21 -2.49 0.04 0.00 0.00 0.00 0.00 61.98 59.73 1va8 s VAL 103 Cb -0.16 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1va8 s VAL 103 CO 0.09 -0.81 -0.03 -1.48 0.00 0.00 0.00 175.10 172.87 1va8 s LEU 104 N 0.53 2.28 -0.17 3.92 0.05 -0.69 -2.04 118.68 122.56 1va8 s LEU 104 Ca 0.13 -1.15 -0.04 0.00 0.05 0.00 0.00 54.13 53.11 1va8 s LEU 104 Cb -0.21 -0.26 -0.03 0.00 -2.05 0.00 0.00 46.19 43.64 1va8 s LEU 104 CO -0.04 -0.47 -0.02 -0.63 -0.55 0.00 0.00 176.35 174.65 1va8 s ILE 105 N -3.43 4.01 -0.20 1.48 1.01 -0.87 -0.65 121.20 122.55 1va8 s ILE 105 Ca 0.24 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 1va8 s ILE 105 Cb 0.05 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 1va8 s ILE 105 CO 0.06 0.48 1.30 -2.16 0.00 0.00 0.00 174.94 174.61 1va8 s PRO 106 N 0.49 4.12 -1.37 2.79 0.04 -1.26 -2.62 135.00 137.20 1va8 s PRO 106 Ca -0.02 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 1va8 s PRO 106 Cb -0.14 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1va8 s PRO 106 CO 0.02 -0.85 2.46 0.45 0.04 0.00 0.00 177.00 179.12 1va8 n SER 107 N 6.99 5.70 0.00 6.66 2.88 -1.22 -4.09 113.62 130.54 1va8 n SER 107 Ca 0.14 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1va8 n SER 107 Cb 0.45 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1va8 n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1va8 n SER 108 N 5.06 0.00 0.00 -3.46 2.88 -1.26 -4.89 113.62 111.95 1va8 n SER 108 Ca 0.61 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1va8 n SER 108 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 -2.00 0.67 3.57 0.46 0.00 -1.26 -3.30 105.19 103.33 1va8 n GLY 109 Ca 0.00 0.81 -0.35 0.00 0.00 0.00 0.00 46.02 46.48 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 3.20 -0.64 1.61 0.04 -1.26 -4.87 135.00 133.08 1va8 s PRO 110 Ca 0.00 -1.29 -0.01 0.00 0.04 0.00 0.00 61.00 59.74 1va8 s PRO 110 Cb 0.00 -5.33 0.16 0.00 0.04 0.00 0.00 34.50 29.37 1va8 s PRO 110 CO 0.00 -2.99 0.45 0.45 0.04 0.00 0.00 177.00 174.95 1va8 s SER 111 N 5.72 5.09 -0.06 6.66 0.15 -1.21 -5.07 113.70 124.99 1va8 s SER 111 Ca 0.60 -3.06 -0.04 0.00 0.70 0.00 0.00 55.95 54.15 1va8 s SER 111 Cb -0.00 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1va8 s SER 111 CO 0.05 -0.30 0.15 -0.94 1.20 0.00 0.00 173.24 173.40 1va8 s SER 112 N 0.24 6.28 0.00 5.45 1.04 -1.26 -5.17 113.70 120.27 1va8 s SER 112 Ca 0.19 0.37 0.05 0.00 0.48 0.00 0.00 55.95 57.04 1va8 s SER 112 Cb -0.19 -1.98 0.04 0.00 0.10 0.00 0.00 66.02 63.99 1va8 s SER 112 CO -0.04 0.33 0.66 0.61 0.98 0.00 0.00 173.24 175.77