#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 -1.63 -0.79 1.61 0.02 -2.09 -3.41 113.55 107.25 1va8 h SER 2 Ca 0.00 0.20 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1va8 h SER 2 Cb 0.00 0.64 -0.20 0.00 0.14 0.00 0.00 62.40 62.98 1va8 h SER 2 CO 0.00 -0.48 -0.30 -0.44 -1.14 0.00 0.00 176.83 174.48 1va8 s SER 3 N -4.85 -1.28 0.00 3.07 0.01 -1.26 -5.14 113.70 104.26 1va8 s SER 3 Ca -0.15 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1va8 s SER 3 Cb 0.08 1.76 0.00 0.00 0.21 0.00 0.00 66.02 68.06 1va8 s SER 3 CO 0.62 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.67 1va8 n GLY 4 N 5.07 3.19 3.17 3.44 0.00 -1.26 -5.12 105.19 113.68 1va8 n GLY 4 Ca 0.07 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.41 0.26 1.61 0.15 -1.26 -4.34 113.70 109.71 1va8 s SER 5 Ca 0.00 0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.74 1va8 s SER 5 Cb 0.00 1.36 0.03 0.00 -1.71 0.00 0.00 66.02 65.70 1va8 s SER 5 CO 0.00 -0.08 0.79 -0.55 1.20 0.00 0.00 173.24 174.60 1va8 s SER 6 N 2.85 -0.21 0.40 5.45 0.15 -1.26 -5.14 113.70 115.94 1va8 s SER 6 Ca -0.02 -0.62 -0.23 0.00 0.70 0.00 0.00 55.95 55.78 1va8 s SER 6 Cb -0.09 0.68 -0.13 0.00 -1.71 0.00 0.00 66.02 64.77 1va8 s SER 6 CO -0.12 -1.27 0.60 0.61 1.20 0.00 0.00 173.24 174.26 1va8 n GLY 7 N -0.48 -1.37 2.37 9.45 0.00 -1.26 -4.74 105.19 109.16 1va8 n GLY 7 Ca -0.05 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1va8 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1va8 n PRO 8 N 0.62 2.37 -2.37 1.61 -0.04 -1.26 -4.90 135.00 131.04 1va8 n PRO 8 Ca 0.12 -1.45 -0.40 0.00 -0.04 0.00 0.00 63.50 61.73 1va8 n PRO 8 Cb 0.38 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 1va8 n PRO 8 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1va8 s ILE 9 N 2.44 3.26 0.00 0.52 1.01 -1.26 -5.00 121.20 122.17 1va8 s ILE 9 Ca 0.52 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1va8 s ILE 9 Cb 0.17 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1va8 s ILE 9 CO -0.03 0.27 0.00 0.41 0.00 0.00 0.00 174.94 175.59 1va8 n THR 10 N 0.95 0.00 -0.35 2.92 -1.04 -1.26 -5.18 114.28 110.32 1va8 n THR 10 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1va8 n THR 10 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1va8 n THR 10 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1va8 n ASP 11 N 0.00 0.00 -2.93 8.00 -0.08 -1.26 -5.00 116.55 115.28 1va8 n ASP 11 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 1va8 n ASP 11 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 0.00 3.64 -0.11 -0.67 2.13 -1.26 -4.47 120.64 119.90 1va8 n GLU 12 Ca 0.00 -4.48 0.00 0.00 0.66 0.00 0.00 57.16 53.34 1va8 n GLU 12 Cb 0.00 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.42 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 -0.34 0.00 -0.85 5.31 -4.01 -1.26 -4.79 116.66 110.72 1va8 n ARG 13 Ca 0.41 -0.58 0.07 0.00 -1.04 0.00 0.00 57.85 56.71 1va8 n ARG 13 Cb 0.42 -0.47 0.40 0.00 -3.04 0.00 0.00 32.46 29.76 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1va8 n VAL 14 N 0.00 2.60 -1.31 8.89 0.31 -1.26 -5.00 118.33 122.56 1va8 n VAL 14 Ca 0.00 -1.35 -0.49 0.00 -0.01 0.00 0.00 64.34 62.48 1va8 n VAL 14 Cb 0.54 -0.22 -0.05 0.00 -0.91 0.00 0.00 33.84 33.20 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 0.71 0.19 0.00 3.52 4.02 -1.26 -4.94 117.16 119.39 1va8 n TYR 15 Ca 0.27 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 59.08 1va8 n TYR 15 Cb 1.15 -1.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 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 1.17 2.95 -1.67 -0.72 2.13 -1.26 -4.79 120.64 118.46 1va8 n GLU 16 Ca 0.17 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.55 1va8 n GLU 16 Cb 0.13 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.80 1va8 n GLU 16 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1va8 n SER 17 N 0.00 3.96 -4.65 4.31 7.64 -1.26 -4.96 113.62 118.66 1va8 n SER 17 Ca 0.00 0.93 -0.33 0.00 1.01 0.00 0.00 58.87 60.47 1va8 n SER 17 Cb 0.00 -1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 61.62 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 4.29 4.00 -1.07 0.44 1.01 -1.26 -5.00 121.20 123.60 1va8 s ILE 18 Ca 0.90 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 1va8 s ILE 18 Cb -0.51 -2.73 -0.07 0.00 0.01 0.00 0.00 42.46 39.16 1va8 s ILE 18 CO 0.45 0.47 2.24 0.61 0.00 0.00 0.00 174.94 178.71 1va8 n GLY 19 N 1.74 3.35 2.67 6.18 0.00 -1.26 -3.68 105.19 114.18 1va8 n GLY 19 Ca -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 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 5.00 -0.90 -1.92 1.61 -0.00 -1.26 -4.70 115.22 113.06 1va8 n HIS 20 Ca 0.53 -1.01 -0.31 0.00 -0.00 0.00 0.00 57.72 56.93 1va8 n HIS 20 Cb 0.24 1.28 -0.04 0.00 -0.00 0.00 0.00 29.99 31.47 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 0.07 1.57 0.00 1.57 1.51 -1.24 -4.32 117.35 116.51 1va8 s TYR 21 Ca 0.09 0.99 0.00 0.00 -1.01 0.00 0.00 57.07 57.14 1va8 s TYR 21 Cb 0.15 -3.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.08 1va8 s TYR 21 CO -0.04 -2.03 0.00 0.41 -1.11 0.00 0.00 175.55 172.78 1va8 n GLY 22 N 6.31 1.86 1.09 0.71 0.00 -1.26 -3.24 105.19 110.66 1va8 n GLY 22 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.11 0.00 -0.02 0.00 -1.26 -5.12 105.19 98.67 1va8 n GLY 23 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.05 0.45 -3.73 1.61 4.07 -1.20 -4.95 120.64 114.84 1va8 n GLU 24 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 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 -0.25 0.02 -0.12 6.31 -4.23 -1.26 -3.94 115.64 112.17 1va8 s THR 25 Ca 0.00 0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 1va8 s THR 25 Cb 0.00 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 1va8 s THR 25 CO 0.00 0.18 0.04 0.68 -0.54 0.00 0.00 174.62 174.98 1va8 s VAL 26 N 1.88 4.63 -0.38 2.29 -7.23 -1.26 -4.79 120.40 115.53 1va8 s VAL 26 Ca 0.02 -0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 59.95 1va8 s VAL 26 Cb -0.12 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1va8 s VAL 26 CO -0.03 0.57 0.24 -0.75 -0.31 0.00 0.00 175.10 174.82 1va8 s LYS 27 N -0.57 2.94 -0.15 4.82 2.20 -0.45 -4.57 119.74 123.97 1va8 s LYS 27 Ca 0.10 -1.02 -0.28 0.00 -0.36 0.00 0.00 55.97 54.42 1va8 s LYS 27 Cb -0.12 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 1va8 s LYS 27 CO 0.02 -0.69 0.95 0.42 -0.36 0.00 0.00 175.35 175.69 1va8 s ILE 28 N 1.61 4.80 -0.14 5.43 1.09 -1.26 -2.55 121.20 130.19 1va8 s ILE 28 Ca 0.03 1.89 -0.00 0.00 -1.10 0.00 0.00 60.65 61.48 1va8 s ILE 28 Cb -0.19 -4.25 0.03 0.00 -1.06 0.00 0.00 42.46 36.99 1va8 s ILE 28 CO 0.08 -0.01 -0.11 0.68 -0.10 0.00 0.00 174.94 175.48 1va8 s VAL 29 N 2.22 1.32 -0.33 2.92 -7.23 0.12 -4.96 120.40 114.47 1va8 s VAL 29 Ca 0.44 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 59.92 1va8 s VAL 29 Cb -0.17 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 1va8 s VAL 29 CO 0.14 0.38 0.46 -0.13 -0.31 0.00 0.00 175.10 175.65 1va8 s ARG 30 N 1.58 3.72 -0.11 4.82 0.52 -1.26 -0.22 118.95 128.00 1va8 s ARG 30 Ca 0.04 -0.12 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1va8 s ARG 30 Cb -0.13 -3.77 -0.03 0.00 0.52 0.00 0.00 34.95 31.54 1va8 s ARG 30 CO -0.09 -0.53 -0.02 0.42 0.02 0.00 0.00 175.30 175.10 1va8 s ILE 31 N 2.26 4.10 -0.35 1.52 1.01 -0.48 -4.89 121.20 124.37 1va8 s ILE 31 Ca 0.17 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.32 1va8 s ILE 31 Cb -0.16 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 1va8 s ILE 31 CO 0.12 0.56 0.54 -1.61 0.00 0.00 0.00 174.94 174.55 1va8 s GLU 32 N -0.39 3.63 -0.09 2.79 2.02 -1.26 -0.72 118.70 124.68 1va8 s GLU 32 Ca 0.07 -0.12 0.04 0.00 0.02 0.00 0.00 54.97 54.97 1va8 s GLU 32 Cb -0.12 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1va8 s GLU 32 CO 0.02 -0.66 -0.22 0.15 0.02 0.00 0.00 175.26 174.56 1va8 s LYS 33 N 2.45 2.82 1.00 1.61 1.02 -0.97 -4.92 119.74 122.76 1va8 s LYS 33 Ca 0.20 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.23 1va8 s LYS 33 Cb -0.15 -2.16 0.19 0.00 -0.52 0.00 0.00 37.83 35.19 1va8 s LYS 33 CO 0.14 0.17 1.14 0.00 -0.92 0.00 0.00 175.35 175.87 1va8 s ALA 34 N 0.35 1.33 -1.20 5.17 0.00 -1.26 0.23 121.76 126.39 1va8 s ALA 34 Ca -0.17 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1va8 s ALA 34 Cb -0.17 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 20.00 1va8 s ALA 34 CO 0.08 -2.73 0.70 0.54 0.00 0.00 0.00 175.76 174.35 1va8 n ARG 35 N -4.09 1.26 -1.15 0.00 1.74 -1.26 -3.12 116.66 110.04 1va8 n ARG 35 Ca 0.08 -0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 56.88 1va8 n ARG 35 Cb 0.59 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.04 -0.88 -4.28 0.55 2.03 -1.26 -5.11 116.55 107.57 1va8 n ASP 36 Ca 0.02 -1.69 -0.32 0.00 0.52 0.00 0.00 54.79 53.32 1va8 n ASP 36 Cb 0.26 0.29 -0.16 0.00 -0.72 0.00 0.00 41.12 40.79 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 0.02 2.49 0.58 5.18 -1.09 -1.18 -5.12 121.20 122.07 1va8 s ILE 37 Ca 0.01 -0.86 -0.16 0.00 -2.23 0.00 0.00 60.65 57.41 1va8 s ILE 37 Cb 0.06 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1va8 s ILE 37 CO -0.02 0.54 1.05 -2.16 -1.23 0.00 0.00 174.94 173.12 1va8 s PRO 38 N 0.40 3.41 0.01 2.79 0.04 -1.26 -4.65 135.00 135.75 1va8 s PRO 38 Ca -0.14 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 1va8 s PRO 38 Cb -0.17 -2.05 -0.15 0.00 0.04 0.00 0.00 34.50 32.17 1va8 s PRO 38 CO 0.07 -0.73 1.12 1.25 0.04 0.00 0.00 177.00 178.75 1va8 h LEU 39 N 0.51 -0.70 -0.43 -3.56 5.85 -1.96 -3.05 115.31 111.97 1va8 h LEU 39 Ca -0.47 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 1va8 h LEU 39 Cb 1.22 0.18 0.02 0.00 0.37 0.00 0.00 40.66 42.45 1va8 h LEU 39 CO 0.58 -0.32 -0.14 0.61 -0.34 0.00 0.00 178.44 178.82 1va8 n GLY 40 N -0.56 0.48 2.87 3.75 0.00 -1.26 -0.65 105.19 109.83 1va8 n GLY 40 Ca -0.11 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.80 -0.34 0.48 4.61 0.00 -1.26 0.15 121.76 122.60 1va8 s ALA 41 Ca 0.09 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1va8 s ALA 41 Cb -0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1va8 s ALA 41 CO 0.11 -0.79 0.82 0.99 0.00 0.00 0.00 175.76 176.89 1va8 s THR 42 N 2.35 4.83 -0.04 0.00 2.01 0.40 -4.94 115.64 120.25 1va8 s THR 42 Ca 0.04 0.46 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 1va8 s THR 42 Cb -0.13 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1va8 s THR 42 CO -0.09 -0.79 0.27 0.68 -0.69 0.00 0.00 174.62 174.00 1va8 s VAL 43 N -2.69 0.04 0.30 3.82 -7.23 -1.26 -1.12 120.40 112.26 1va8 s VAL 43 Ca 0.50 -0.35 0.06 0.00 -1.81 0.00 0.00 61.98 60.38 1va8 s VAL 43 Cb -0.10 -0.50 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 1va8 s VAL 43 CO 0.42 -0.19 0.39 0.00 -0.31 0.00 0.00 175.10 175.40 1va8 s ARG 44 N -0.82 3.15 -0.61 4.82 1.70 0.89 -4.68 118.95 123.39 1va8 s ARG 44 Ca -0.09 -0.97 -0.17 0.00 -0.47 0.00 0.00 55.73 54.03 1va8 s ARG 44 Cb -0.05 -2.78 0.13 0.00 -0.57 0.00 0.00 34.95 31.69 1va8 s ARG 44 CO 0.02 0.21 0.64 -0.80 -1.08 0.00 0.00 175.30 174.29 1va8 s ASN 45 N -4.06 6.28 0.69 -2.89 0.02 -1.26 -3.08 114.94 110.63 1va8 s ASN 45 Ca 0.40 -1.77 -0.10 0.00 -1.02 0.00 0.00 52.86 50.37 1va8 s ASN 45 Cb -0.09 -2.26 0.02 0.00 0.02 0.00 0.00 41.25 38.94 1va8 s ASN 45 CO 0.29 -0.94 1.06 -1.61 0.02 0.00 0.00 177.10 175.93 1va8 s GLU 46 N 1.91 2.83 0.00 -0.60 0.41 0.50 -4.90 118.70 118.86 1va8 s GLU 46 Ca 0.10 0.35 -0.00 0.00 -0.41 0.00 0.00 54.97 55.00 1va8 s GLU 46 Cb -0.24 -2.07 -0.00 0.00 -1.78 0.00 0.00 34.13 30.04 1va8 s GLU 46 CO 0.02 -1.00 0.01 -1.33 -0.49 0.00 0.00 175.26 172.47 1va8 n MET 47 N -2.94 -0.00 -0.76 1.61 2.81 -1.26 -2.51 117.12 114.07 1va8 n MET 47 Ca 0.06 0.01 -0.02 0.00 -1.81 0.00 0.00 57.70 55.94 1va8 n MET 47 Cb 0.57 -0.01 -0.02 0.00 -0.71 0.00 0.00 33.22 33.06 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 -4.00 -0.21 -4.16 7.83 8.00 -1.26 -5.04 116.55 117.71 1va8 n ASP 48 Ca 0.00 -1.56 -0.15 0.00 0.71 0.00 0.00 54.79 53.79 1va8 n ASP 48 Cb 0.00 0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.66 1.43 -0.55 -2.24 0.01 -1.05 -1.39 113.70 109.25 1va8 s SER 49 Ca 0.03 -0.72 -0.13 0.00 1.31 0.00 0.00 55.95 56.45 1va8 s SER 49 Cb 0.04 -0.00 0.14 0.00 0.21 0.00 0.00 66.02 66.40 1va8 s SER 49 CO -0.02 -0.20 0.47 -0.69 0.41 0.00 0.00 173.24 173.21 1va8 s VAL 50 N -1.96 4.83 0.10 3.43 1.01 -1.26 -0.37 120.40 126.19 1va8 s VAL 50 Ca 0.01 -1.78 0.02 0.00 0.00 0.00 0.00 61.98 60.23 1va8 s VAL 50 Cb -0.06 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1va8 s VAL 50 CO 0.01 -0.86 0.17 -0.63 0.00 0.00 0.00 175.10 173.79 1va8 s ILE 51 N 1.27 4.96 0.44 2.22 1.09 -1.18 -0.21 121.20 129.80 1va8 s ILE 51 Ca 0.06 -0.67 -0.25 0.00 -1.10 0.00 0.00 60.65 58.70 1va8 s ILE 51 Cb -0.26 -3.45 -0.08 0.00 -1.06 0.00 0.00 42.46 37.61 1va8 s ILE 51 CO -0.00 0.06 1.33 -0.63 -0.10 0.00 0.00 174.94 175.60 1va8 s ILE 52 N -1.55 2.45 -0.07 2.92 -1.09 0.62 -0.08 121.20 124.39 1va8 s ILE 52 Ca 0.32 0.38 -0.02 0.00 -2.23 0.00 0.00 60.65 59.11 1va8 s ILE 52 Cb -0.12 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1va8 s ILE 52 CO 0.25 0.04 -0.08 -0.24 -1.23 0.00 0.00 174.94 173.68 1va8 n SER 53 N -0.19 1.80 -3.67 3.58 2.88 -0.27 -3.16 113.62 114.59 1va8 n SER 53 Ca 0.05 0.04 -0.10 0.00 -1.33 0.00 0.00 58.87 57.53 1va8 n SER 53 Cb 0.44 -0.17 -0.05 0.00 -0.75 0.00 0.00 64.21 63.68 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 -2.14 1.08 -0.16 -1.46 3.52 -1.07 -4.87 118.95 113.86 1va8 s ARG 54 Ca -0.10 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 1va8 s ARG 54 Cb 0.03 0.46 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 1va8 s ARG 54 CO 0.15 -0.42 -0.17 0.42 -0.81 0.00 0.00 175.30 174.46 1va8 s ILE 55 N -3.82 1.80 0.24 4.11 -1.09 -1.26 0.15 121.20 121.33 1va8 s ILE 55 Ca 0.04 -0.78 -0.21 0.00 -2.23 0.00 0.00 60.65 57.47 1va8 s ILE 55 Cb 0.02 -1.65 -0.09 0.00 -1.58 0.00 0.00 42.46 39.16 1va8 s ILE 55 CO -0.11 0.50 0.76 -0.69 -1.23 0.00 0.00 174.94 174.17 1va8 s VAL 56 N 1.34 4.51 0.15 2.92 1.01 0.41 -4.95 120.40 125.78 1va8 s VAL 56 Ca 0.04 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.12 1va8 s VAL 56 Cb -0.13 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1va8 s VAL 56 CO -0.11 0.18 0.84 -0.75 0.00 0.00 0.00 175.10 175.27 1va8 s LYS 57 N -2.02 4.64 0.00 2.72 2.36 -1.26 -3.38 119.74 122.80 1va8 s LYS 57 Ca 0.45 1.26 0.00 0.00 -2.55 0.00 0.00 55.97 55.13 1va8 s LYS 57 Cb -0.17 -3.31 0.00 0.00 -1.05 0.00 0.00 37.83 33.30 1va8 s LYS 57 CO 0.21 0.43 0.00 0.41 1.55 0.00 0.00 175.35 177.96 1va8 n GLY 58 N 1.86 0.74 3.93 5.54 0.00 -1.26 -5.05 105.19 110.95 1va8 n GLY 58 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.62 1.60 0.54 -0.02 0.00 -1.22 -4.92 107.32 101.68 1va8 s GLY 59 Ca 0.00 -0.84 0.33 0.00 0.00 0.00 0.00 44.72 44.21 1va8 s GLY 59 CO 0.00 -0.60 2.00 0.00 0.00 0.00 0.00 173.10 174.50 1va8 h ALA 60 N 0.03 1.02 0.03 3.20 0.00 -0.77 -2.09 119.26 120.69 1va8 h ALA 60 Ca -0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1va8 h ALA 60 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1va8 h ALA 60 CO 0.59 0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1va8 h ALA 61 N 1.96 -0.05 0.45 0.00 0.00 -1.78 -2.83 119.26 117.02 1va8 h ALA 61 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1va8 h ALA 61 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1va8 h ALA 61 CO 0.00 -0.15 -0.27 1.49 0.00 0.00 0.00 179.25 180.33 1va8 h GLU 62 N -0.81 -0.65 -0.58 0.00 4.81 -1.72 1.22 114.58 116.85 1va8 h GLU 62 Ca -0.00 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1va8 h GLU 62 Cb 0.69 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.15 1va8 h GLU 62 CO 0.01 -0.43 -0.34 1.63 -0.73 0.00 0.00 179.01 179.14 1va8 n LYS 63 N -4.03 -0.26 -0.07 1.92 5.02 -0.80 -0.19 118.16 119.75 1va8 n LYS 63 Ca -0.08 1.29 -0.07 0.00 -2.02 0.00 0.00 58.31 57.43 1va8 n LYS 63 Cb 0.28 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.37 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 -0.19 -2.71 4.39 4.64 -1.47 -3.47 113.55 114.74 1va8 h SER 64 Ca 0.09 0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1va8 h SER 64 Cb 0.24 0.15 0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1va8 h SER 64 CO -0.55 -0.06 -0.19 0.61 -0.87 0.00 0.00 176.83 175.77 1va8 n GLY 65 N -1.23 0.35 0.04 -0.77 0.00 0.42 -4.96 105.19 99.04 1va8 n GLY 65 Ca -0.00 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.76 0.45 -4.16 0.99 4.77 -1.21 -4.95 117.00 111.13 1va8 n LEU 66 Ca -0.05 -0.58 -0.32 0.00 -0.03 0.00 0.00 56.01 55.03 1va8 n LEU 66 Cb 0.53 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.46 1va8 n LEU 66 CO 0.16 0.10 -0.54 -0.76 -1.33 0.00 0.00 177.39 175.03 1va8 s LEU 67 N -1.96 2.04 0.10 2.23 1.43 -1.26 -4.98 118.68 116.28 1va8 s LEU 67 Ca 0.03 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1va8 s LEU 67 Cb 0.04 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1va8 s LEU 67 CO 0.19 0.08 -0.08 -1.00 0.23 0.00 0.00 176.35 175.77 1va8 s HIS 68 N 0.79 0.96 -0.14 0.29 3.76 -1.26 -4.79 115.29 114.90 1va8 s HIS 68 Ca -0.08 -0.75 -0.29 0.00 -0.15 0.00 0.00 55.06 53.79 1va8 s HIS 68 Cb -0.16 -0.54 -0.06 0.00 1.11 0.00 0.00 32.58 32.94 1va8 s HIS 68 CO -0.01 -0.06 2.02 -1.21 -0.85 0.00 0.00 174.74 174.63 1va8 s GLU 69 N -3.15 3.57 0.00 1.40 2.02 -1.26 -1.51 118.70 119.77 1va8 s GLU 69 Ca 0.07 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1va8 s GLU 69 Cb 0.00 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.99 1va8 s GLU 69 CO -0.02 -1.60 0.00 0.41 0.02 0.00 0.00 175.26 174.07 1va8 n GLY 70 N 5.18 1.39 3.73 -1.39 0.00 -1.19 -4.94 105.19 107.97 1va8 n GLY 70 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.70 7.35 -0.16 1.61 1.11 -0.57 -4.04 116.67 120.28 1va8 s ASP 71 Ca 0.00 1.95 -0.08 0.00 0.18 0.00 0.00 52.55 54.61 1va8 s ASP 71 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1va8 s ASP 71 CO 0.00 -0.18 0.10 -0.70 1.18 0.00 0.00 175.17 175.57 1va8 s GLU 72 N -0.06 3.82 -0.08 8.23 2.12 -1.11 -0.28 118.70 131.33 1va8 s GLU 72 Ca 0.49 -0.24 -0.08 0.00 0.36 0.00 0.00 54.97 55.50 1va8 s GLU 72 Cb -0.27 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1va8 s GLU 72 CO 0.32 0.46 0.20 0.08 -0.54 0.00 0.00 175.26 175.78 1va8 s VAL 73 N -0.14 5.41 0.03 3.70 1.01 0.70 -2.11 120.40 128.99 1va8 s VAL 73 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1va8 s VAL 73 Cb -0.12 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1va8 s VAL 73 CO 0.01 0.57 0.00 0.18 0.00 0.00 0.00 175.10 175.85 1va8 n LEU 74 N 1.79 0.07 -3.97 3.92 4.77 -0.88 -4.06 117.00 118.65 1va8 n LEU 74 Ca -0.18 0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 1va8 n LEU 74 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 1va8 n LEU 74 CO 0.34 -0.30 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.10 1va8 s GLU 75 N -2.00 0.32 -0.22 3.23 2.02 -1.19 0.12 118.70 120.98 1va8 s GLU 75 Ca 0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1va8 s GLU 75 Cb 0.00 -0.17 0.07 0.00 0.10 0.00 0.00 34.13 34.14 1va8 s GLU 75 CO 0.00 0.03 0.06 0.42 0.02 0.00 0.00 175.26 175.80 1va8 s ILE 76 N -0.68 0.43 -0.62 -1.63 1.01 0.29 0.19 121.20 120.18 1va8 s ILE 76 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1va8 s ILE 76 Cb -0.05 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.35 1va8 s ILE 76 CO -0.00 -0.36 0.00 0.59 0.00 0.00 0.00 174.94 175.17 1va8 n ASN 77 N 5.07 -5.18 0.00 3.58 3.02 0.22 -0.85 115.26 121.11 1va8 n ASN 77 Ca -0.07 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1va8 n ASN 77 Cb 0.46 -3.19 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 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 -0.30 2.15 3.73 7.41 0.00 -1.26 -4.95 105.19 111.97 1va8 n GLY 78 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.11 3.61 0.53 -0.61 1.09 -0.03 -4.99 121.20 118.69 1va8 s ILE 79 Ca 0.00 1.28 -0.19 0.00 -1.10 0.00 0.00 60.65 60.64 1va8 s ILE 79 Cb 0.00 -3.82 -0.06 0.00 -1.06 0.00 0.00 42.46 37.52 1va8 s ILE 79 CO 0.00 0.17 1.07 -1.61 -0.10 0.00 0.00 174.94 174.46 1va8 s GLU 80 N 0.22 3.55 0.00 2.79 2.02 -1.26 0.10 118.70 126.12 1va8 s GLU 80 Ca 0.56 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.94 1va8 s GLU 80 Cb -0.33 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1va8 s GLU 80 CO 0.34 -0.65 0.00 -0.89 0.02 0.00 0.00 175.26 174.08 1va8 n ILE 81 N -1.34 0.00 -1.34 -1.63 2.08 0.33 -4.82 119.36 112.64 1va8 n ILE 81 Ca 0.10 0.00 -0.58 0.00 0.56 0.00 0.00 62.75 62.83 1va8 n ILE 81 Cb 0.52 -0.68 -0.10 0.00 -0.75 0.00 0.00 39.64 38.63 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 -2.50 0.00 0.00 0.38 3.00 -1.19 0.18 116.66 116.53 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 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.50 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 5.50 2.73 3.45 5.14 0.00 -0.49 -4.99 105.19 116.52 1va8 n GLY 83 Ca 0.41 -0.68 -0.52 0.00 0.00 0.00 0.00 46.02 45.23 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 0.04 -1.26 1.61 5.02 0.49 -4.87 118.16 119.20 1va8 n LYS 84 Ca 0.00 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 1va8 n LYS 84 Cb 0.00 -1.23 0.09 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.58 4.42 0.25 4.39 -1.08 -1.26 -4.79 116.67 118.01 1va8 s ASP 85 Ca 0.75 1.88 -0.04 0.00 -0.52 0.00 0.00 52.55 54.61 1va8 s ASP 85 Cb -1.06 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 38.28 1va8 s ASP 85 CO 0.56 -2.10 1.82 -0.37 0.52 0.00 0.00 175.17 175.61 1va8 h VAL 86 N -1.08 0.94 -0.17 1.11 -1.51 -1.91 -0.92 116.25 112.69 1va8 h VAL 86 Ca -0.44 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 64.73 1va8 h VAL 86 Cb 1.24 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1va8 h VAL 86 CO 0.51 0.16 0.06 0.78 -1.23 0.00 0.00 177.57 177.84 1va8 h ASN 87 N 0.85 0.25 -0.44 4.19 2.35 -1.96 -0.91 115.58 119.90 1va8 h ASN 87 Ca 0.40 -0.19 0.09 0.00 -0.55 0.00 0.00 56.30 56.06 1va8 h ASN 87 Cb 0.34 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.55 1va8 h ASN 87 CO -0.23 0.37 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.37 1va8 h GLU 88 N 0.12 -0.12 0.74 0.81 5.08 -1.58 1.00 114.58 120.63 1va8 h GLU 88 Ca 0.06 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1va8 h GLU 88 Cb 0.20 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1va8 h GLU 88 CO -0.00 -0.08 -0.42 0.28 -1.00 0.00 0.00 179.01 177.79 1va8 h VAL 89 N -0.12 0.14 -0.42 3.13 2.07 -1.05 0.63 116.25 120.63 1va8 h VAL 89 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 1va8 h VAL 89 Cb 0.45 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 1va8 h VAL 89 CO -0.52 0.00 -0.22 -0.26 0.02 0.00 0.00 177.57 176.59 1va8 h PHE 90 N -1.08 -0.57 -0.77 1.57 0.04 -0.44 0.83 116.94 116.51 1va8 h PHE 90 Ca -0.10 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.74 1va8 h PHE 90 Cb 0.86 0.32 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 1va8 h PHE 90 CO -0.08 -0.30 0.50 -0.44 -0.60 0.00 0.00 178.31 177.39 1va8 h ASP 91 N -0.14 0.86 0.00 2.17 3.32 0.12 -0.00 116.42 122.75 1va8 h ASP 91 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1va8 h ASP 91 Cb 0.46 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1va8 h ASP 91 CO -0.51 0.62 0.00 0.18 -1.72 0.00 0.00 179.24 177.81 1va8 n LEU 92 N -4.57 0.00 -0.23 1.55 4.77 0.22 -1.19 117.00 117.55 1va8 n LEU 92 Ca 0.08 0.93 -0.01 0.00 -0.03 0.00 0.00 56.01 56.98 1va8 n LEU 92 Cb 0.03 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1va8 n LEU 92 CO 0.35 -0.43 0.70 -0.07 -1.33 0.00 0.00 177.39 176.61 1va8 h LEU 93 N 0.00 -0.79 -0.96 2.23 3.38 -1.04 0.58 115.31 118.72 1va8 h LEU 93 Ca 0.00 0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1va8 h LEU 93 Cb 0.00 0.47 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 1va8 h LEU 93 CO 0.00 -0.25 -0.49 -0.24 0.09 0.00 0.00 178.44 177.55 1va8 n SER 94 N -5.46 -0.85 -0.30 -0.43 2.88 -0.02 0.19 113.62 109.62 1va8 n SER 94 Ca 0.08 1.69 -0.02 0.00 -1.33 0.00 0.00 58.87 59.29 1va8 n SER 94 Cb 0.36 -0.29 0.15 0.00 -0.75 0.00 0.00 64.21 63.68 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 1.04 -4.33 -3.46 1.82 0.53 -3.43 116.42 108.59 1va8 h ASP 95 Ca 0.23 -0.06 -0.51 0.00 -0.39 0.00 0.00 57.03 56.30 1va8 h ASP 95 Cb 0.46 -0.26 0.10 0.00 0.68 0.00 0.00 39.33 40.31 1va8 h ASP 95 CO -0.92 0.79 0.37 -0.04 -1.61 0.00 0.00 179.24 177.83 1va8 s MET 96 N -5.88 2.83 -0.08 0.28 1.00 0.49 -5.08 119.30 112.86 1va8 s MET 96 Ca -0.12 0.89 -0.30 0.00 0.00 0.00 0.00 55.69 56.16 1va8 s MET 96 Cb 0.17 -1.98 0.08 0.00 0.00 0.00 0.00 34.83 33.10 1va8 s MET 96 CO 0.81 -1.16 0.75 -3.38 0.00 0.00 0.00 175.02 172.04 1va8 s HIS 97 N -3.07 -0.61 0.00 -0.03 -3.43 -1.26 -4.84 115.29 102.05 1va8 s HIS 97 Ca 0.58 1.07 0.00 0.00 -0.80 0.00 0.00 55.06 55.91 1va8 s HIS 97 Cb -0.14 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.42 1va8 s HIS 97 CO 0.55 -0.54 0.00 0.41 -2.00 0.00 0.00 174.74 173.15 1va8 n GLY 98 N 0.97 -1.59 3.55 -1.38 0.00 0.63 -4.84 105.19 102.52 1va8 n GLY 98 Ca -0.17 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.44 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 3.27 -0.03 2.61 2.01 -1.25 -2.29 115.64 119.96 1va8 s THR 99 Ca 0.00 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 1va8 s THR 99 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1va8 s THR 99 CO 0.00 -0.67 0.37 -0.76 -0.69 0.00 0.00 174.62 172.87 1va8 s LEU 100 N 10.26 4.44 -0.63 4.42 1.02 0.10 -4.86 118.68 133.43 1va8 s LEU 100 Ca 0.76 0.86 -0.21 0.00 0.02 0.00 0.00 54.13 55.56 1va8 s LEU 100 Cb -0.13 -2.52 0.09 0.00 0.02 0.00 0.00 46.19 43.65 1va8 s LEU 100 CO 0.18 0.30 0.85 -0.89 0.02 0.00 0.00 176.35 176.81 1va8 s THR 101 N -0.85 4.54 -0.28 5.49 2.01 -1.26 -1.38 115.64 123.90 1va8 s THR 101 Ca 0.22 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 1va8 s THR 101 Cb -0.16 -4.60 -0.01 0.00 0.01 0.00 0.00 72.50 67.74 1va8 s THR 101 CO 0.11 -1.32 0.67 -0.36 -0.69 0.00 0.00 174.62 173.04 1va8 s PHE 102 N 3.46 3.24 -0.66 4.92 0.40 0.69 0.69 117.98 130.72 1va8 s PHE 102 Ca 0.18 0.73 -0.13 0.00 -0.60 0.00 0.00 56.93 57.11 1va8 s PHE 102 Cb -0.20 -2.99 0.17 0.00 0.51 0.00 0.00 43.02 40.52 1va8 s PHE 102 CO 0.08 -0.44 0.59 0.08 0.70 0.00 0.00 175.22 176.23 1va8 s VAL 103 N 2.65 5.10 0.09 -0.44 1.01 0.13 0.12 120.40 129.06 1va8 s VAL 103 Ca 0.27 -2.11 0.01 0.00 0.00 0.00 0.00 61.98 60.16 1va8 s VAL 103 Cb -0.15 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1va8 s VAL 103 CO 0.11 -0.93 -0.05 -1.48 0.00 0.00 0.00 175.10 172.75 1va8 s LEU 104 N 0.77 2.47 -0.18 3.92 0.05 -1.06 -2.07 118.68 122.59 1va8 s LEU 104 Ca 0.11 -1.02 -0.04 0.00 0.05 0.00 0.00 54.13 53.23 1va8 s LEU 104 Cb -0.20 -0.01 -0.03 0.00 -2.05 0.00 0.00 46.19 43.91 1va8 s LEU 104 CO -0.03 -0.50 -0.02 -0.63 -0.55 0.00 0.00 176.35 174.61 1va8 s ILE 105 N -3.70 3.91 -0.19 1.48 1.01 -0.90 -1.34 121.20 121.47 1va8 s ILE 105 Ca 0.12 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1va8 s ILE 105 Cb 0.06 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1va8 s ILE 105 CO -0.05 0.46 1.29 -2.16 0.00 0.00 0.00 174.94 174.48 1va8 s PRO 106 N 0.69 4.15 -1.21 2.79 0.04 -1.26 -2.76 135.00 137.44 1va8 s PRO 106 Ca -0.01 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 1va8 s PRO 106 Cb -0.14 -3.80 -0.06 0.00 0.04 0.00 0.00 34.50 30.54 1va8 s PRO 106 CO 0.02 -0.82 1.89 0.45 0.04 0.00 0.00 177.00 178.59 1va8 n SER 107 N 6.90 3.48 -2.67 6.66 2.88 -1.26 -4.79 113.62 124.82 1va8 n SER 107 Ca 0.14 -2.75 -0.22 0.00 -1.33 0.00 0.00 58.87 54.72 1va8 n SER 107 Cb 0.45 -1.74 -0.08 0.00 -0.75 0.00 0.00 64.21 62.09 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 12.98 5.98 -4.61 -3.46 7.64 -1.26 -4.90 113.62 125.99 1va8 n SER 108 Ca 0.46 -2.41 -0.43 0.00 1.01 0.00 0.00 58.87 57.50 1va8 n SER 108 Cb 0.46 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 1va8 n SER 108 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1va8 s GLY 109 N 2.37 0.76 -0.79 0.23 0.00 -1.26 -4.89 107.32 103.74 1va8 s GLY 109 Ca 0.58 0.68 -0.26 0.00 0.00 0.00 0.00 44.72 45.72 1va8 s GLY 109 CO -0.03 3.54 1.62 2.56 0.00 0.00 0.00 173.10 180.80 1va8 s PRO 110 N 5.78 2.98 0.06 2.90 0.04 -1.26 -4.94 135.00 140.56 1va8 s PRO 110 Ca 0.91 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1va8 s PRO 110 Cb -0.30 -4.66 -0.04 0.00 0.04 0.00 0.00 34.50 29.54 1va8 s PRO 110 CO 0.35 -2.58 -0.05 0.45 0.04 0.00 0.00 177.00 175.21 1va8 s SER 111 N 6.14 0.72 -0.64 6.66 0.15 -1.26 -5.11 113.70 120.37 1va8 s SER 111 Ca 0.54 -0.87 -0.18 0.00 0.70 0.00 0.00 55.95 56.13 1va8 s SER 111 Cb -0.07 0.13 0.12 0.00 -1.71 0.00 0.00 66.02 64.48 1va8 s SER 111 CO 0.08 -0.46 0.73 -0.55 1.20 0.00 0.00 173.24 174.24 1va8 s SER 112 N -2.59 6.27 0.00 5.45 0.15 -1.26 -5.28 113.70 116.45 1va8 s SER 112 Ca 0.03 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.05 1va8 s SER 112 Cb 0.02 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1va8 s SER 112 CO -0.06 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 173.95