#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va8 n SER 2 N 0.00 -6.42 -4.23 1.61 2.88 -1.26 -4.90 113.62 101.30 1va8 n SER 2 Ca 0.00 0.81 -0.32 0.00 -1.33 0.00 0.00 58.87 58.04 1va8 n SER 2 Cb 0.00 -3.53 -0.17 0.00 -0.75 0.00 0.00 64.21 59.77 1va8 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1va8 s SER 3 N -6.65 3.05 1.09 -3.46 1.04 -1.26 -5.12 113.70 102.39 1va8 s SER 3 Ca 0.00 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 1va8 s SER 3 Cb 0.00 -1.22 0.24 0.00 0.10 0.00 0.00 66.02 65.14 1va8 s SER 3 CO 0.00 0.18 1.06 -0.83 0.98 0.00 0.00 173.24 174.63 1va8 s GLY 4 N 0.19 1.57 -0.35 7.32 0.00 -1.26 -5.04 107.32 109.75 1va8 s GLY 4 Ca -0.14 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.58 1va8 s GLY 4 CO 0.07 0.61 0.42 -0.56 0.00 0.00 0.00 173.10 173.64 1va8 s SER 5 N -2.71 0.58 0.55 1.64 0.01 -1.26 -5.14 113.70 107.37 1va8 s SER 5 Ca 0.67 -1.12 -0.21 0.00 1.31 0.00 0.00 55.95 56.61 1va8 s SER 5 Cb -0.23 0.91 -0.05 0.00 0.21 0.00 0.00 66.02 66.86 1va8 s SER 5 CO 0.62 -0.28 1.28 -0.44 0.41 0.00 0.00 173.24 174.83 1va8 s SER 6 N 1.82 5.36 0.00 2.44 0.01 -1.26 -4.93 113.70 117.15 1va8 s SER 6 Ca 0.15 2.57 0.00 0.00 1.31 0.00 0.00 55.95 59.98 1va8 s SER 6 Cb -0.13 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1va8 s SER 6 CO -0.12 -1.49 0.00 0.61 0.41 0.00 0.00 173.24 172.65 1va8 n GLY 7 N 0.64 1.46 3.58 3.44 0.00 -1.26 -5.05 105.19 107.99 1va8 n GLY 7 Ca 0.11 0.30 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 3.43 3.22 -0.07 1.61 0.04 -1.26 -4.94 135.00 137.03 1va8 s PRO 8 Ca 0.00 -1.39 -0.11 0.00 0.04 0.00 0.00 61.00 59.54 1va8 s PRO 8 Cb 0.00 -5.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.14 1va8 s PRO 8 CO 0.00 -3.03 0.28 0.42 0.04 0.00 0.00 177.00 174.71 1va8 s ILE 9 N 7.54 5.27 0.00 0.56 1.01 -1.26 -4.98 121.20 129.34 1va8 s ILE 9 Ca 0.60 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1va8 s ILE 9 Cb 0.01 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1va8 s ILE 9 CO 0.07 0.58 0.00 0.35 0.00 0.00 0.00 174.94 175.94 1va8 n THR 10 N 2.05 0.00 -3.48 2.92 -2.24 -1.26 -4.73 114.28 107.54 1va8 n THR 10 Ca -0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1va8 n THR 10 Cb 0.53 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.65 1va8 n THR 10 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1va8 s ASP 11 N -4.00 1.02 0.00 3.42 1.01 -1.26 -5.13 116.67 111.73 1va8 s ASP 11 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.22 1va8 s ASP 11 Cb 0.00 0.57 0.00 0.00 1.01 0.00 0.00 42.92 44.50 1va8 s ASP 11 CO 0.00 -0.31 0.00 -1.84 0.21 0.00 0.00 175.17 173.23 1va8 n GLU 12 N 5.33 2.44 -3.77 8.23 0.00 -1.26 -4.87 120.64 126.75 1va8 n GLU 12 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.87 1va8 n GLU 12 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.91 1va8 n GLU 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1va8 n ARG 13 N 0.00 -0.77 -0.56 3.44 0.63 -1.26 -4.74 116.66 113.39 1va8 n ARG 13 Ca 0.00 -0.04 0.01 0.00 -0.92 0.00 0.00 57.85 56.91 1va8 n ARG 13 Cb 0.00 -1.78 0.02 0.00 0.45 0.00 0.00 32.46 31.15 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1va8 n VAL 14 N -3.36 0.20 -3.78 5.15 0.31 -1.26 -5.09 118.33 110.50 1va8 n VAL 14 Ca -0.15 -0.35 -0.22 0.00 -0.01 0.00 0.00 64.34 63.61 1va8 n VAL 14 Cb 0.40 0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 33.76 1va8 n VAL 14 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1va8 s TYR 15 N -0.31 2.73 0.00 3.52 1.51 -1.26 -5.14 117.35 118.40 1va8 s TYR 15 Ca 0.07 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1va8 s TYR 15 Cb 0.07 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1va8 s TYR 15 CO -0.02 0.05 0.00 0.39 -1.11 0.00 0.00 175.55 174.87 1va8 n GLU 16 N -1.41 3.41 -1.66 -0.62 4.71 -1.26 -4.91 120.64 118.90 1va8 n GLU 16 Ca 0.01 0.00 -0.49 0.00 -0.01 0.00 0.00 57.16 56.67 1va8 n GLU 16 Cb 0.62 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 31.00 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1va8 n SER 17 N 0.00 2.87 0.00 1.62 3.41 -1.26 -4.95 113.62 115.31 1va8 n SER 17 Ca 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1va8 n SER 17 Cb 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 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 3.83 0.00 0.00 -1.33 2.08 -1.26 -5.04 119.36 117.64 1va8 n ILE 18 Ca 0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1va8 n ILE 18 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.15 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 4.07 -0.04 0.08 7.39 0.00 -1.26 -4.94 105.19 110.48 1va8 n GLY 19 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1va8 n GLY 19 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1va8 h HIS 20 N 0.00 0.03 -5.64 1.61 2.07 -1.95 -3.38 115.15 107.89 1va8 h HIS 20 Ca 0.00 -0.02 -0.16 0.00 -2.85 0.00 0.00 60.37 57.34 1va8 h HIS 20 Cb 0.00 -0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.99 1va8 h HIS 20 CO 0.00 0.95 -0.93 0.66 -3.07 0.00 0.00 177.93 175.55 1va8 n TYR 21 N -3.44 -1.07 -3.20 6.12 4.02 -1.26 -3.63 117.16 114.70 1va8 n TYR 21 Ca -0.01 0.45 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 1va8 n TYR 21 Cb 0.89 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 1va8 n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1va8 n GLY 22 N 0.53 0.91 1.95 2.72 0.00 -1.26 -2.28 105.19 107.76 1va8 n GLY 22 Ca -0.04 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 3.58 3.52 -0.02 0.00 -1.26 -4.85 105.19 106.16 1va8 n GLY 23 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 1va8 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1va8 s GLU 24 N -0.86 1.91 -0.07 1.61 2.02 -0.97 -5.15 118.70 117.19 1va8 s GLU 24 Ca 0.37 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 53.20 1va8 s GLU 24 Cb 0.23 -0.69 0.02 0.00 0.10 0.00 0.00 34.13 33.79 1va8 s GLU 24 CO -0.05 -0.44 -0.05 0.95 0.02 0.00 0.00 175.26 175.69 1va8 s THR 25 N -3.20 0.68 0.04 3.63 -4.23 -1.26 -4.57 115.64 106.73 1va8 s THR 25 Ca 0.24 -0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.70 1va8 s THR 25 Cb 0.03 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 1va8 s THR 25 CO 0.14 0.28 -0.22 0.68 -0.54 0.00 0.00 174.62 174.97 1va8 s VAL 26 N 1.37 2.50 -0.29 2.29 -7.23 -1.26 -4.86 120.40 112.92 1va8 s VAL 26 Ca -0.03 -1.27 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 1va8 s VAL 26 Cb -0.13 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1va8 s VAL 26 CO -0.03 0.35 0.13 -0.75 -0.31 0.00 0.00 175.10 174.49 1va8 s LYS 27 N -1.34 3.44 -0.03 4.82 2.20 -0.61 -4.98 119.74 123.25 1va8 s LYS 27 Ca 0.13 -0.64 -0.22 0.00 -0.36 0.00 0.00 55.97 54.87 1va8 s LYS 27 Cb -0.10 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1va8 s LYS 27 CO 0.04 -0.35 0.67 0.42 -0.36 0.00 0.00 175.35 175.77 1va8 s ILE 28 N 1.61 4.95 -0.09 5.43 1.09 -1.26 -2.63 121.20 130.30 1va8 s ILE 28 Ca 0.05 1.39 -0.01 0.00 -1.10 0.00 0.00 60.65 60.97 1va8 s ILE 28 Cb -0.16 -4.01 0.03 0.00 -1.06 0.00 0.00 42.46 37.26 1va8 s ILE 28 CO 0.06 0.33 -0.00 0.68 -0.10 0.00 0.00 174.94 175.90 1va8 s VAL 29 N 0.31 0.47 -0.22 2.92 -7.23 0.58 -4.96 120.40 112.27 1va8 s VAL 29 Ca 0.35 -0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.37 1va8 s VAL 29 Cb -0.18 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.05 1va8 s VAL 29 CO 0.18 0.20 0.25 -0.13 -0.31 0.00 0.00 175.10 175.30 1va8 s ARG 30 N 1.93 4.13 0.01 4.82 0.52 -1.26 -0.12 118.95 128.99 1va8 s ARG 30 Ca 0.04 -0.06 0.08 0.00 -0.52 0.00 0.00 55.73 55.27 1va8 s ARG 30 Cb -0.13 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.80 1va8 s ARG 30 CO -0.06 0.06 -0.25 0.42 0.02 0.00 0.00 175.30 175.49 1va8 s ILE 31 N 1.04 2.01 -0.45 1.52 1.01 -0.49 -4.92 121.20 120.92 1va8 s ILE 31 Ca 0.12 -1.22 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 1va8 s ILE 31 Cb -0.14 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.66 1va8 s ILE 31 CO 0.05 0.44 0.65 -1.61 0.00 0.00 0.00 174.94 174.47 1va8 s GLU 32 N -0.93 3.26 -0.15 2.79 2.02 -1.26 -0.73 118.70 123.71 1va8 s GLU 32 Ca 0.10 -0.42 -0.03 0.00 0.02 0.00 0.00 54.97 54.65 1va8 s GLU 32 Cb -0.10 -3.97 -0.02 0.00 0.10 0.00 0.00 34.13 30.14 1va8 s GLU 32 CO 0.01 -1.05 -0.07 0.21 0.02 0.00 0.00 175.26 174.38 1va8 s LYS 33 N 2.85 3.57 0.90 1.61 2.20 -0.86 -4.92 119.74 125.09 1va8 s LYS 33 Ca 0.22 -0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 55.13 1va8 s LYS 33 Cb -0.14 -2.84 0.13 0.00 -1.51 0.00 0.00 37.83 33.47 1va8 s LYS 33 CO 0.18 0.20 1.14 0.00 -0.36 0.00 0.00 175.35 176.51 1va8 s ALA 34 N 0.43 1.82 -2.00 3.13 0.00 -1.26 0.22 121.76 124.10 1va8 s ALA 34 Ca -0.06 -0.51 0.24 0.00 0.00 0.00 0.00 51.96 51.63 1va8 s ALA 34 Cb -0.15 -3.03 1.46 0.00 0.00 0.00 0.00 23.12 21.39 1va8 s ALA 34 CO 0.03 -2.24 1.87 0.54 0.00 0.00 0.00 175.76 175.97 1va8 n ARG 35 N -3.74 0.89 -2.31 0.00 1.74 -1.26 -3.12 116.66 108.86 1va8 n ARG 35 Ca 0.07 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.13 1va8 n ARG 35 Cb 0.59 -1.43 0.06 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.93 0.04 -4.21 0.55 2.03 -1.26 -5.09 116.55 107.68 1va8 n ASP 36 Ca 0.18 -2.08 -0.32 0.00 0.52 0.00 0.00 54.79 53.08 1va8 n ASP 36 Cb 0.08 0.07 -0.16 0.00 -0.72 0.00 0.00 41.12 40.39 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 -1.30 2.19 0.55 5.18 -1.09 -1.18 -5.12 121.20 120.43 1va8 s ILE 37 Ca 0.18 -0.95 -0.17 0.00 -2.23 0.00 0.00 60.65 57.47 1va8 s ILE 37 Cb 0.33 -1.87 -0.06 0.00 -1.58 0.00 0.00 42.46 39.28 1va8 s ILE 37 CO -0.08 0.55 1.04 -2.16 -1.23 0.00 0.00 174.94 173.06 1va8 s PRO 38 N 0.59 3.54 -0.00 2.79 0.04 -1.26 -4.64 135.00 136.06 1va8 s PRO 38 Ca -0.12 1.23 -0.24 0.00 0.04 0.00 0.00 61.00 61.91 1va8 s PRO 38 Cb -0.17 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.17 1va8 s PRO 38 CO 0.03 -0.63 1.05 1.25 0.04 0.00 0.00 177.00 178.74 1va8 h LEU 39 N 0.86 -0.55 -0.61 -3.56 5.85 -1.95 -3.01 115.31 112.33 1va8 h LEU 39 Ca -0.48 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.06 1va8 h LEU 39 Cb 1.22 0.14 0.03 0.00 0.37 0.00 0.00 40.66 42.42 1va8 h LEU 39 CO 0.58 -0.16 -0.18 0.61 -0.34 0.00 0.00 178.44 178.96 1va8 n GLY 40 N -0.26 0.46 2.89 3.75 0.00 -1.26 -0.39 105.19 110.38 1va8 n GLY 40 Ca -0.10 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.93 -0.27 0.38 4.61 0.00 -1.26 0.18 121.76 122.47 1va8 s ALA 41 Ca 0.13 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1va8 s ALA 41 Cb -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.13 1va8 s ALA 41 CO 0.16 -0.58 0.74 0.99 0.00 0.00 0.00 175.76 177.07 1va8 s THR 42 N 2.30 4.80 -0.04 0.00 2.01 0.45 -4.94 115.64 120.22 1va8 s THR 42 Ca 0.02 0.62 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 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 -0.06 -0.44 0.16 0.68 -0.69 0.00 0.00 174.62 174.27 1va8 s VAL 43 N -2.27 0.03 0.29 3.82 -7.23 -1.26 -0.71 120.40 113.07 1va8 s VAL 43 Ca 0.51 -0.26 0.06 0.00 -1.81 0.00 0.00 61.98 60.48 1va8 s VAL 43 Cb -0.10 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.49 1va8 s VAL 43 CO 0.29 -0.15 0.37 0.00 -0.31 0.00 0.00 175.10 175.30 1va8 s ARG 44 N -0.48 3.15 -0.60 4.82 1.70 0.66 -4.71 118.95 123.49 1va8 s ARG 44 Ca -0.06 -0.97 -0.18 0.00 -0.47 0.00 0.00 55.73 54.06 1va8 s ARG 44 Cb -0.04 -2.76 0.12 0.00 -0.57 0.00 0.00 34.95 31.70 1va8 s ARG 44 CO 0.01 0.25 0.66 -0.80 -1.08 0.00 0.00 175.30 174.34 1va8 s ASN 45 N -4.03 6.23 0.70 -2.89 0.02 -1.26 -3.04 114.94 110.66 1va8 s ASN 45 Ca 0.39 -1.62 -0.11 0.00 -1.02 0.00 0.00 52.86 50.50 1va8 s ASN 45 Cb -0.09 -2.27 0.02 0.00 0.02 0.00 0.00 41.25 38.93 1va8 s ASN 45 CO 0.29 -1.01 1.08 -1.61 0.02 0.00 0.00 177.10 175.86 1va8 s GLU 46 N 2.24 2.79 0.00 -0.60 0.41 0.37 -4.89 118.70 119.01 1va8 s GLU 46 Ca 0.10 0.36 0.00 0.00 -0.41 0.00 0.00 54.97 55.02 1va8 s GLU 46 Cb -0.25 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.05 1va8 s GLU 46 CO 0.04 -1.04 0.00 -1.33 -0.49 0.00 0.00 175.26 172.44 1va8 n MET 47 N -2.97 0.00 -0.75 1.61 2.81 -1.26 -2.54 117.12 114.01 1va8 n MET 47 Ca 0.07 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.94 1va8 n MET 47 Cb 0.58 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.07 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 -3.96 -0.21 -4.15 7.83 8.00 -1.26 -5.04 116.55 117.75 1va8 n ASP 48 Ca 0.00 -1.55 -0.15 0.00 0.71 0.00 0.00 54.79 53.80 1va8 n ASP 48 Cb 0.00 0.04 -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 -0.65 1.38 -0.49 -2.24 0.01 -1.05 -0.85 113.70 109.81 1va8 s SER 49 Ca 0.03 -0.73 -0.14 0.00 1.31 0.00 0.00 55.95 56.42 1va8 s SER 49 Cb 0.04 0.00 0.10 0.00 0.21 0.00 0.00 66.02 66.37 1va8 s SER 49 CO -0.02 -0.22 0.41 -0.69 0.41 0.00 0.00 173.24 173.14 1va8 s VAL 50 N -2.03 5.00 0.15 3.43 1.01 -1.26 -0.48 120.40 126.22 1va8 s VAL 50 Ca 0.01 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 60.70 1va8 s VAL 50 Cb -0.05 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1va8 s VAL 50 CO 0.00 -0.70 0.08 -0.63 0.00 0.00 0.00 175.10 173.85 1va8 s ILE 51 N 1.57 4.22 0.43 2.22 1.09 -1.17 0.30 121.20 129.86 1va8 s ILE 51 Ca 0.04 -1.14 -0.25 0.00 -1.10 0.00 0.00 60.65 58.20 1va8 s ILE 51 Cb -0.27 -3.12 -0.08 0.00 -1.06 0.00 0.00 42.46 37.94 1va8 s ILE 51 CO 0.04 -0.06 1.22 -0.63 -0.10 0.00 0.00 174.94 175.41 1va8 s ILE 52 N -1.66 2.90 -0.08 2.92 -1.09 -0.12 -0.25 121.20 123.82 1va8 s ILE 52 Ca 0.29 0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 59.43 1va8 s ILE 52 Cb -0.10 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1va8 s ILE 52 CO 0.21 0.05 -0.08 -1.54 -1.23 0.00 0.00 174.94 172.35 1va8 n SER 53 N -0.15 2.05 -3.61 3.58 3.41 0.11 -3.15 113.62 115.86 1va8 n SER 53 Ca 0.05 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1va8 n SER 53 Cb 0.46 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1va8 n SER 53 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1va8 s ARG 54 N -2.15 1.07 -0.16 4.33 3.52 -1.02 -4.92 118.95 119.63 1va8 s ARG 54 Ca -0.11 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 1va8 s ARG 54 Cb 0.03 0.48 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 1va8 s ARG 54 CO 0.16 -0.42 -0.20 0.42 -0.81 0.00 0.00 175.30 174.45 1va8 s ILE 55 N -3.59 1.99 0.24 4.11 -1.09 -1.26 0.17 121.20 121.77 1va8 s ILE 55 Ca 0.01 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.35 1va8 s ILE 55 Cb 0.01 -1.79 -0.08 0.00 -1.58 0.00 0.00 42.46 39.02 1va8 s ILE 55 CO -0.11 0.53 0.70 -0.69 -1.23 0.00 0.00 174.94 174.14 1va8 s VAL 56 N 1.17 4.65 0.42 2.92 1.01 0.49 -4.95 120.40 126.11 1va8 s VAL 56 Ca 0.01 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.88 1va8 s VAL 56 Cb -0.14 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1va8 s VAL 56 CO -0.09 0.11 1.01 -0.75 0.00 0.00 0.00 175.10 175.38 1va8 s LYS 57 N -2.24 4.13 0.00 2.72 2.47 -1.26 -3.04 119.74 122.52 1va8 s LYS 57 Ca 0.45 1.35 0.00 0.00 -1.56 0.00 0.00 55.97 56.21 1va8 s LYS 57 Cb -0.15 -2.36 0.00 0.00 -1.46 0.00 0.00 37.83 33.86 1va8 s LYS 57 CO 0.20 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 175.97 1va8 n GLY 58 N -0.03 1.45 3.81 5.54 0.00 -1.26 -5.00 105.19 109.69 1va8 n GLY 58 Ca 0.06 0.00 -0.34 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 -2.00 2.52 0.54 -0.02 0.00 -1.17 -4.83 107.32 102.36 1va8 s GLY 59 Ca 0.00 0.47 0.24 0.00 0.00 0.00 0.00 44.72 45.43 1va8 s GLY 59 CO 0.00 0.80 2.03 0.00 0.00 0.00 0.00 173.10 175.93 1va8 h ALA 60 N 2.20 2.32 0.33 3.20 0.00 -0.58 0.74 119.26 127.47 1va8 h ALA 60 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1va8 h ALA 60 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1va8 h ALA 60 CO 0.62 -0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.21 1va8 h ALA 61 N 1.78 -0.45 0.13 0.00 0.00 -1.77 -2.76 119.26 116.19 1va8 h ALA 61 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1va8 h ALA 61 Cb 0.77 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1va8 h ALA 61 CO -0.00 -0.52 -0.06 1.49 0.00 0.00 0.00 179.25 180.15 1va8 h GLU 62 N -0.90 -0.17 -0.27 0.00 4.81 -1.47 0.93 114.58 117.51 1va8 h GLU 62 Ca -0.05 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1va8 h GLU 62 Cb 0.53 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1va8 h GLU 62 CO 0.08 -0.04 -0.16 0.87 -0.73 0.00 0.00 179.01 179.03 1va8 h LYS 63 N -0.26 -0.00 -0.44 1.92 1.79 0.36 0.22 116.57 120.16 1va8 h LYS 63 Ca -0.02 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1va8 h LYS 63 Cb 0.21 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1va8 h LYS 63 CO 0.03 -0.00 -0.01 0.66 -1.08 0.00 0.00 179.45 179.05 1va8 h SER 64 N -0.00 0.69 -2.86 0.86 4.64 -1.47 -3.47 113.55 111.93 1va8 h SER 64 Ca 0.04 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 1va8 h SER 64 Cb 0.11 -0.18 0.05 0.00 -0.31 0.00 0.00 62.40 62.07 1va8 h SER 64 CO -0.25 0.76 -0.26 0.61 -0.87 0.00 0.00 176.83 176.82 1va8 n GLY 65 N -0.69 0.38 0.02 -0.77 0.00 0.32 -4.94 105.19 99.52 1va8 n GLY 65 Ca 0.02 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.22 0.42 -4.65 0.99 4.77 -1.12 -4.87 117.00 110.31 1va8 n LEU 66 Ca 0.00 -0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.56 1va8 n LEU 66 Cb 0.52 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1va8 n LEU 66 CO 0.25 0.04 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.34 1va8 s LEU 67 N -4.17 3.82 -0.02 2.23 2.01 -1.26 -5.00 118.68 116.30 1va8 s LEU 67 Ca -0.01 0.11 0.02 0.00 0.01 0.00 0.00 54.13 54.26 1va8 s LEU 67 Cb 0.14 -1.95 0.00 0.00 0.01 0.00 0.00 46.19 44.39 1va8 s LEU 67 CO 0.87 0.21 -0.08 -1.00 1.01 0.00 0.00 176.35 177.36 1va8 s HIS 68 N 0.14 0.76 -0.25 0.29 3.76 -1.26 -4.82 115.29 113.91 1va8 s HIS 68 Ca 0.05 -0.16 -0.35 0.00 -0.15 0.00 0.00 55.06 54.44 1va8 s HIS 68 Cb -0.12 -0.53 -0.12 0.00 1.11 0.00 0.00 32.58 32.92 1va8 s HIS 68 CO 0.01 -0.06 2.04 0.39 -0.85 0.00 0.00 174.74 176.26 1va8 n GLU 69 N 3.15 1.48 0.00 1.40 1.02 -1.26 -0.69 120.64 125.74 1va8 n GLU 69 Ca -0.16 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1va8 n GLU 69 Cb 0.56 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 5.50 1.08 3.71 0.62 0.00 -1.19 -4.91 105.19 110.00 1va8 n GLY 70 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.83 7.34 -0.14 1.61 1.11 0.14 -4.05 116.67 121.84 1va8 s ASP 71 Ca 0.00 1.62 -0.13 0.00 0.18 0.00 0.00 52.55 54.22 1va8 s ASP 71 Cb 0.00 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.39 1va8 s ASP 71 CO 0.00 -0.21 0.29 -0.70 1.18 0.00 0.00 175.17 175.73 1va8 s GLU 72 N 0.82 4.16 -0.16 8.23 2.12 -1.12 -0.95 118.70 131.79 1va8 s GLU 72 Ca 0.49 0.10 -0.09 0.00 0.36 0.00 0.00 54.97 55.83 1va8 s GLU 72 Cb -0.21 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 1va8 s GLU 72 CO 0.27 0.32 0.15 0.08 -0.54 0.00 0.00 175.26 175.55 1va8 s VAL 73 N 0.20 5.43 0.02 3.70 1.01 0.15 -1.99 120.40 128.92 1va8 s VAL 73 Ca 0.17 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1va8 s VAL 73 Cb -0.13 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1va8 s VAL 73 CO 0.05 0.50 -0.00 0.18 0.00 0.00 0.00 175.10 175.83 1va8 n LEU 74 N 2.95 0.24 -4.07 3.92 4.77 -0.99 -3.61 117.00 120.21 1va8 n LEU 74 Ca -0.17 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.72 1va8 n LEU 74 Cb 0.53 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1va8 n LEU 74 CO 0.35 -0.16 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.24 1va8 s GLU 75 N -2.00 0.55 -0.25 3.23 2.02 -1.21 0.19 118.70 121.23 1va8 s GLU 75 Ca -0.00 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.12 1va8 s GLU 75 Cb 0.00 -0.24 0.09 0.00 0.10 0.00 0.00 34.13 34.08 1va8 s GLU 75 CO 0.00 0.03 0.12 0.42 0.02 0.00 0.00 175.26 175.85 1va8 s ILE 76 N -1.72 -0.05 -0.50 -1.63 1.01 0.28 -1.00 121.20 117.60 1va8 s ILE 76 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1va8 s ILE 76 Cb -0.08 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1va8 s ILE 76 CO -0.01 -0.58 0.00 0.59 0.00 0.00 0.00 174.94 174.94 1va8 n ASN 77 N 5.25 -4.69 0.00 3.58 3.02 0.10 -1.61 115.26 120.90 1va8 n ASN 77 Ca -0.06 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1va8 n ASN 77 Cb 0.44 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 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 -0.91 1.56 3.73 7.41 0.00 -1.26 -4.90 105.19 110.82 1va8 n GLY 78 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.79 3.39 0.72 -0.61 1.09 -0.64 -4.51 121.20 118.85 1va8 s ILE 79 Ca 0.00 1.11 -0.13 0.00 -1.10 0.00 0.00 60.65 60.54 1va8 s ILE 79 Cb 0.00 -3.71 0.03 0.00 -1.06 0.00 0.00 42.46 37.72 1va8 s ILE 79 CO 0.00 0.15 1.10 -1.61 -0.10 0.00 0.00 174.94 174.48 1va8 s GLU 80 N 0.11 2.49 0.00 2.79 2.02 -1.26 0.99 118.70 125.84 1va8 s GLU 80 Ca 0.57 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.84 1va8 s GLU 80 Cb -0.35 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1va8 s GLU 80 CO 0.36 -1.48 0.00 -0.89 0.02 0.00 0.00 175.26 173.27 1va8 n ILE 81 N -3.01 0.00 -1.72 -1.63 2.08 0.51 -4.76 119.36 110.83 1va8 n ILE 81 Ca 0.10 0.00 -0.67 0.00 0.56 0.00 0.00 62.75 62.74 1va8 n ILE 81 Cb 0.52 -0.57 -0.10 0.00 -0.75 0.00 0.00 39.64 38.75 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 -2.35 0.00 0.00 0.38 0.63 -1.10 0.16 116.66 114.38 1va8 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1va8 n ARG 82 Cb 0.15 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1va8 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1va8 n GLY 83 N 3.80 2.51 3.29 5.14 0.00 -0.03 -4.96 105.19 114.94 1va8 n GLY 83 Ca 0.30 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 0.11 -2.78 1.61 5.02 0.43 -4.90 118.16 117.66 1va8 n LYS 84 Ca 0.00 0.06 -0.27 0.00 -2.02 0.00 0.00 58.31 56.08 1va8 n LYS 84 Cb 0.00 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.26 6.26 0.15 4.39 2.15 -1.26 -4.76 116.67 122.35 1va8 s ASP 85 Ca 0.57 0.83 -0.19 0.00 0.43 0.00 0.00 52.55 54.19 1va8 s ASP 85 Cb -0.34 -2.20 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 1va8 s ASP 85 CO 0.67 -0.53 1.67 -0.37 -0.17 0.00 0.00 175.17 176.44 1va8 h VAL 86 N 0.32 0.61 -0.38 1.11 -1.51 -1.92 0.21 116.25 114.70 1va8 h VAL 86 Ca -0.47 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.05 1va8 h VAL 86 Cb 1.21 0.61 -0.05 0.00 -2.13 0.00 0.00 31.29 30.94 1va8 h VAL 86 CO 0.62 0.00 0.11 -1.13 -1.23 0.00 0.00 177.57 175.93 1va8 h ASN 87 N -0.05 0.09 -0.26 4.19 -0.73 -1.97 0.35 115.58 117.20 1va8 h ASN 87 Ca 0.16 0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.43 1va8 h ASN 87 Cb 0.29 0.05 -0.05 0.00 0.27 0.00 0.00 38.32 38.88 1va8 h ASN 87 CO -0.35 0.09 -0.09 -0.33 -0.37 0.00 0.00 177.43 176.38 1va8 h GLU 88 N 0.25 -0.04 0.57 6.67 5.08 -1.56 0.73 114.58 126.28 1va8 h GLU 88 Ca 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1va8 h GLU 88 Cb 0.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1va8 h GLU 88 CO -0.20 -0.03 -0.29 0.28 -1.00 0.00 0.00 179.01 177.77 1va8 h VAL 89 N -0.04 0.40 -0.20 3.13 2.07 0.07 0.33 116.25 122.01 1va8 h VAL 89 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1va8 h VAL 89 Cb 0.24 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1va8 h VAL 89 CO -0.29 0.00 -0.28 -0.26 0.02 0.00 0.00 177.57 176.77 1va8 h PHE 90 N -0.79 -0.76 -0.39 1.57 0.04 0.07 -1.19 116.94 115.49 1va8 h PHE 90 Ca -0.08 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.79 1va8 h PHE 90 Cb 0.62 0.36 -0.05 0.00 2.20 0.00 0.00 35.95 39.08 1va8 h PHE 90 CO -0.05 -0.36 0.10 0.22 -0.60 0.00 0.00 178.31 177.63 1va8 h ASP 91 N -0.31 0.07 0.00 2.17 1.82 0.61 0.15 116.42 120.92 1va8 h ASP 91 Ca 0.12 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1va8 h ASP 91 Cb 0.50 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1va8 h ASP 91 CO -0.38 0.07 0.00 0.18 -1.61 0.00 0.00 179.24 177.51 1va8 n LEU 92 N -5.06 0.00 -0.18 2.28 4.77 0.11 -0.52 117.00 118.40 1va8 n LEU 92 Ca 0.02 0.92 -0.03 0.00 -0.03 0.00 0.00 56.01 56.89 1va8 n LEU 92 Cb 0.17 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1va8 n LEU 92 CO 0.25 -0.42 0.70 -0.07 -1.33 0.00 0.00 177.39 176.53 1va8 h LEU 93 N 0.00 -0.76 -0.95 2.23 3.38 -1.13 -0.18 115.31 117.90 1va8 h LEU 93 Ca 0.00 0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1va8 h LEU 93 Cb 0.00 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.06 1va8 h LEU 93 CO 0.00 -0.24 -0.50 -0.24 0.09 0.00 0.00 178.44 177.54 1va8 n SER 94 N -5.42 -0.89 -0.35 -0.43 2.88 0.52 0.18 113.62 110.11 1va8 n SER 94 Ca 0.05 1.68 -0.01 0.00 -1.33 0.00 0.00 58.87 59.26 1va8 n SER 94 Cb 0.33 -0.27 0.15 0.00 -0.75 0.00 0.00 64.21 63.67 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 1.08 -4.33 -3.46 3.32 0.76 -3.42 116.42 110.37 1va8 h ASP 95 Ca 0.20 -0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.73 1va8 h ASP 95 Cb 0.44 -0.26 0.10 0.00 0.22 0.00 0.00 39.33 39.82 1va8 h ASP 95 CO -0.91 0.77 0.37 -0.04 -1.72 0.00 0.00 179.24 177.71 1va8 s MET 96 N -6.05 2.77 -0.05 3.56 -1.94 0.49 -5.08 119.30 113.00 1va8 s MET 96 Ca -0.13 0.85 -0.30 0.00 -1.71 0.00 0.00 55.69 54.40 1va8 s MET 96 Cb 0.18 -1.98 0.08 0.00 2.01 0.00 0.00 34.83 35.13 1va8 s MET 96 CO 0.81 -1.19 0.74 -3.38 -0.01 0.00 0.00 175.02 171.98 1va8 s HIS 97 N -3.09 -0.59 0.00 -0.03 -3.43 -1.26 -4.84 115.29 102.05 1va8 s HIS 97 Ca 0.58 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.78 1va8 s HIS 97 Cb -0.14 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 1va8 s HIS 97 CO 0.55 -0.58 0.00 0.41 -2.00 0.00 0.00 174.74 173.11 1va8 n GLY 98 N 0.71 -1.63 3.55 -1.38 0.00 0.60 -4.84 105.19 102.20 1va8 n GLY 98 Ca -0.17 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 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 3.22 -0.05 2.61 2.01 -1.25 -2.03 115.64 120.14 1va8 s THR 99 Ca 0.00 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 1va8 s THR 99 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1va8 s THR 99 CO 0.00 -0.54 0.32 -0.76 -0.69 0.00 0.00 174.62 172.95 1va8 s LEU 100 N 10.82 4.42 -0.49 4.42 1.02 0.09 -4.86 118.68 134.12 1va8 s LEU 100 Ca 0.80 0.77 -0.19 0.00 0.02 0.00 0.00 54.13 55.53 1va8 s LEU 100 Cb -0.13 -2.42 0.05 0.00 0.02 0.00 0.00 46.19 43.71 1va8 s LEU 100 CO 0.18 0.32 0.62 -0.89 0.02 0.00 0.00 176.35 176.60 1va8 s THR 101 N -0.86 4.87 -0.31 5.49 2.01 -1.26 -1.39 115.64 124.18 1va8 s THR 101 Ca 0.20 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 1va8 s THR 101 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 1va8 s THR 101 CO 0.10 -0.74 0.54 -0.36 -0.69 0.00 0.00 174.62 173.46 1va8 s PHE 102 N 2.65 3.21 -0.67 4.92 0.40 0.83 0.00 117.98 129.33 1va8 s PHE 102 Ca 0.17 0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 56.78 1va8 s PHE 102 Cb -0.18 -2.87 0.17 0.00 0.51 0.00 0.00 43.02 40.65 1va8 s PHE 102 CO 0.14 -0.44 0.59 0.08 0.70 0.00 0.00 175.22 176.29 1va8 s VAL 103 N 2.41 5.09 0.13 -0.44 1.01 -0.17 -0.31 120.40 128.13 1va8 s VAL 103 Ca 0.21 -2.14 0.02 0.00 0.00 0.00 0.00 61.98 60.07 1va8 s VAL 103 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1va8 s VAL 103 CO 0.12 -0.93 -0.06 -1.48 0.00 0.00 0.00 175.10 172.75 1va8 s LEU 104 N 0.73 2.42 -0.22 3.92 0.05 -1.08 -2.34 118.68 122.17 1va8 s LEU 104 Ca 0.12 -1.05 -0.06 0.00 0.05 0.00 0.00 54.13 53.18 1va8 s LEU 104 Cb -0.19 -0.14 -0.03 0.00 -2.05 0.00 0.00 46.19 43.78 1va8 s LEU 104 CO -0.04 -0.46 0.04 -0.63 -0.55 0.00 0.00 176.35 174.72 1va8 s ILE 105 N -3.56 4.21 -0.22 1.48 1.01 -0.84 -1.57 121.20 121.72 1va8 s ILE 105 Ca 0.16 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1va8 s ILE 105 Cb 0.05 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1va8 s ILE 105 CO -0.01 0.39 1.31 -2.16 0.00 0.00 0.00 174.94 174.46 1va8 s PRO 106 N 1.23 4.07 -1.21 2.79 0.04 -1.26 -2.81 135.00 137.85 1va8 s PRO 106 Ca 0.04 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 1va8 s PRO 106 Cb -0.15 -3.83 -0.07 0.00 0.04 0.00 0.00 34.50 30.49 1va8 s PRO 106 CO 0.02 -0.92 2.44 0.45 0.04 0.00 0.00 177.00 179.04 1va8 n SER 107 N 7.15 6.33 -2.95 6.66 2.88 -1.26 -4.49 113.62 127.95 1va8 n SER 107 Ca 0.15 -2.45 -0.11 0.00 -1.33 0.00 0.00 58.87 55.13 1va8 n SER 107 Cb 0.46 -1.30 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 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 4.13 -1.17 0.00 -3.46 7.64 -1.26 -4.43 113.62 115.07 1va8 n SER 108 Ca 0.58 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1va8 n SER 108 Cb 0.19 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 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 -0.63 2.41 3.57 0.23 0.00 -1.26 -3.31 105.19 106.20 1va8 n GLY 109 Ca 0.03 0.31 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 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 3.16 0.31 1.61 0.04 -1.26 -4.81 135.00 134.05 1va8 s PRO 110 Ca 0.00 -1.11 0.04 0.00 0.04 0.00 0.00 61.00 59.97 1va8 s PRO 110 Cb 0.00 -5.30 0.81 0.00 0.04 0.00 0.00 34.50 30.05 1va8 s PRO 110 CO 0.00 -2.93 1.59 0.66 0.04 0.00 0.00 177.00 176.36 1va8 h SER 111 N 9.68 -0.29 -3.63 6.66 4.64 -1.76 -3.32 113.55 125.53 1va8 h SER 111 Ca 0.23 0.26 -0.64 0.00 -0.47 0.00 0.00 61.79 61.17 1va8 h SER 111 Cb 0.96 0.41 -0.19 0.00 -0.31 0.00 0.00 62.40 63.27 1va8 h SER 111 CO 1.33 -0.32 -0.57 -0.55 -0.87 0.00 0.00 176.83 175.85 1va8 s SER 112 N -4.97 5.54 0.00 4.97 0.15 -1.26 -5.14 113.70 112.99 1va8 s SER 112 Ca -0.12 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1va8 s SER 112 Cb 0.29 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1va8 s SER 112 CO 0.78 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.84