#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 6.33 -0.23 1.61 1.04 -1.26 -5.10 113.70 116.08 1va8 s SER 2 Ca 0.00 0.62 -0.27 0.00 0.48 0.00 0.00 55.95 56.78 1va8 s SER 2 Cb 0.00 -2.11 0.11 0.00 0.10 0.00 0.00 66.02 64.13 1va8 s SER 2 CO 0.00 -0.33 0.95 -0.94 0.98 0.00 0.00 173.24 173.91 1va8 s SER 3 N -3.81 -0.49 -0.24 7.02 1.04 -1.26 -5.18 113.70 110.78 1va8 s SER 3 Ca 0.43 0.83 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 1va8 s SER 3 Cb -0.10 0.80 0.17 0.00 0.10 0.00 0.00 66.02 66.99 1va8 s SER 3 CO 0.36 -0.24 1.24 -0.83 0.98 0.00 0.00 173.24 174.75 1va8 s GLY 4 N -0.17 -0.05 -0.28 7.32 0.00 -1.26 -5.14 107.32 107.74 1va8 s GLY 4 Ca 0.00 2.49 -0.03 0.00 0.00 0.00 0.00 44.72 47.18 1va8 s GLY 4 CO -0.02 1.03 -0.00 -0.45 0.00 0.00 0.00 173.10 173.66 1va8 s SER 5 N -1.15 4.75 0.00 1.64 0.15 -1.26 -4.93 113.70 112.90 1va8 s SER 5 Ca 0.06 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1va8 s SER 5 Cb -0.01 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1va8 s SER 5 CO -0.05 -0.21 0.00 -1.20 1.20 0.00 0.00 173.24 172.98 1va8 n SER 6 N 4.68 0.00 0.00 5.45 7.64 -1.26 -4.81 113.62 125.32 1va8 n SER 6 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1va8 n SER 6 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1va8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va8 n GLY 7 N 0.00 3.69 0.00 0.23 0.00 -1.26 -5.13 105.19 102.72 1va8 n GLY 7 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.53 0.19 -4.02 1.61 -0.04 -1.26 -5.06 135.00 124.89 1va8 n PRO 8 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1va8 n PRO 8 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 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 -0.54 4.99 1.07 0.52 1.01 -1.26 -5.09 121.20 121.91 1va8 s ILE 9 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1va8 s ILE 9 Cb 0.00 -3.31 0.15 0.00 0.01 0.00 0.00 42.46 39.31 1va8 s ILE 9 CO 0.00 0.33 0.52 0.35 0.00 0.00 0.00 174.94 176.15 1va8 n THR 10 N 1.07 0.00 -3.67 2.92 -2.24 -1.26 -5.04 114.28 106.07 1va8 n THR 10 Ca -0.12 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 1va8 n THR 10 Cb 0.53 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.89 1va8 n THR 10 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1va8 s ASP 11 N -2.14 -0.29 -0.77 3.42 1.47 -1.26 -5.06 116.67 112.04 1va8 s ASP 11 Ca 0.61 0.97 0.02 0.00 1.18 0.00 0.00 52.55 55.33 1va8 s ASP 11 Cb -0.19 1.22 0.33 0.00 -0.34 0.00 0.00 42.92 43.94 1va8 s ASP 11 CO 0.65 -0.22 1.34 -1.84 0.68 0.00 0.00 175.17 175.77 1va8 n GLU 12 N 5.16 4.18 -0.80 2.11 0.28 -1.26 -4.49 120.64 125.83 1va8 n GLU 12 Ca -0.11 -4.77 -0.01 0.00 -0.16 0.00 0.00 57.16 52.11 1va8 n GLU 12 Cb 0.51 -2.34 -0.01 0.00 1.43 0.00 0.00 31.44 31.02 1va8 n GLU 12 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1va8 n ARG 13 N -0.18 0.00 -0.49 3.44 1.85 -1.26 -4.87 116.66 115.15 1va8 n ARG 13 Ca 0.38 -0.83 0.04 0.00 -1.00 0.00 0.00 57.85 56.44 1va8 n ARG 13 Cb 0.34 0.01 0.23 0.00 -1.05 0.00 0.00 32.46 31.98 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1va8 n VAL 14 N 0.09 1.50 -3.53 8.89 0.31 -1.26 -4.89 118.33 119.44 1va8 n VAL 14 Ca -0.06 -0.78 -0.21 0.00 -0.01 0.00 0.00 64.34 63.28 1va8 n VAL 14 Cb 0.71 -0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 33.29 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 -1.96 2.69 0.00 3.52 -0.85 -1.26 -5.14 117.35 114.34 1va8 s TYR 15 Ca 0.31 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 1va8 s TYR 15 Cb 0.23 -2.18 0.00 0.00 0.38 0.00 0.00 41.96 40.39 1va8 s TYR 15 CO 0.10 -0.16 0.00 -1.91 -1.52 0.00 0.00 175.55 172.06 1va8 n GLU 16 N -1.58 3.75 -1.53 -3.49 4.07 -1.26 -5.02 120.64 115.59 1va8 n GLU 16 Ca 0.04 0.00 -0.50 0.00 -0.06 0.00 0.00 57.16 56.64 1va8 n GLU 16 Cb 0.62 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.94 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1va8 n SER 17 N 0.00 2.53 -4.67 4.31 3.41 -1.26 -4.93 113.62 113.02 1va8 n SER 17 Ca 0.00 0.52 -0.34 0.00 -0.26 0.00 0.00 58.87 58.79 1va8 n SER 17 Cb 0.00 -1.32 -0.09 0.00 -0.26 0.00 0.00 64.21 62.54 1va8 n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1va8 s ILE 18 N 6.69 4.15 -0.55 -1.33 1.01 -1.26 -5.00 121.20 124.91 1va8 s ILE 18 Ca 1.05 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 61.00 1va8 s ILE 18 Cb -0.77 -2.78 -0.23 0.00 0.01 0.00 0.00 42.46 38.69 1va8 s ILE 18 CO 0.49 0.50 1.82 0.61 0.00 0.00 0.00 174.94 178.36 1va8 n GLY 19 N 1.82 1.69 0.00 6.18 0.00 -1.26 -3.70 105.19 109.91 1va8 n GLY 19 Ca -0.17 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1va8 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1va8 n HIS 20 N 8.87 0.00 -0.91 1.61 -0.00 -1.26 -4.86 115.22 118.67 1va8 n HIS 20 Ca 0.48 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.98 1va8 n HIS 20 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.34 1va8 n HIS 20 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1va8 n TYR 21 N 0.00 1.14 -0.53 4.41 4.02 -1.24 -3.97 117.16 120.99 1va8 n TYR 21 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 57.90 55.92 1va8 n TYR 21 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 39.34 37.55 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 3.28 0.62 3.81 2.72 0.00 -1.26 -4.41 105.19 109.95 1va8 n GLY 22 Ca 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.33 1.71 0.00 -0.02 0.00 -1.25 -4.95 105.19 100.34 1va8 n GLY 23 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.41 -3.71 1.61 0.00 -1.26 -4.88 120.64 111.98 1va8 n GLU 24 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 1va8 n GLU 24 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.29 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1va8 s THR 25 N -0.58 -0.15 -0.08 6.31 -4.23 -1.26 -3.93 115.64 111.73 1va8 s THR 25 Ca 0.00 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1va8 s THR 25 Cb 0.00 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.55 1va8 s THR 25 CO 0.00 0.11 -0.10 0.68 -0.54 0.00 0.00 174.62 174.77 1va8 s VAL 26 N 1.71 3.37 -0.36 2.29 -7.23 -1.26 -4.83 120.40 114.09 1va8 s VAL 26 Ca -0.03 -0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 59.43 1va8 s VAL 26 Cb -0.12 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1va8 s VAL 26 CO -0.06 0.58 0.21 -0.75 -0.31 0.00 0.00 175.10 174.77 1va8 s LYS 27 N -0.53 3.03 -0.00 4.82 2.20 -0.81 -4.79 119.74 123.65 1va8 s LYS 27 Ca 0.07 -0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 54.46 1va8 s LYS 27 Cb -0.12 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1va8 s LYS 27 CO 0.02 -0.62 0.89 0.42 -0.36 0.00 0.00 175.35 175.70 1va8 s ILE 28 N 1.61 4.86 -0.08 5.43 1.09 -1.26 -3.05 121.20 129.80 1va8 s ILE 28 Ca 0.03 1.87 -0.01 0.00 -1.10 0.00 0.00 60.65 61.45 1va8 s ILE 28 Cb -0.18 -4.23 0.03 0.00 -1.06 0.00 0.00 42.46 37.01 1va8 s ILE 28 CO 0.08 0.22 -0.03 0.68 -0.10 0.00 0.00 174.94 175.79 1va8 s VAL 29 N 0.75 0.57 -0.24 2.92 -7.23 0.39 -4.96 120.40 112.61 1va8 s VAL 29 Ca 0.47 -0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.49 1va8 s VAL 29 Cb -0.20 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.02 1va8 s VAL 29 CO 0.25 0.28 0.25 -0.13 -0.31 0.00 0.00 175.10 175.44 1va8 s ARG 30 N 1.72 4.08 -0.11 4.82 0.52 -1.26 0.56 118.95 129.28 1va8 s ARG 30 Ca 0.02 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1va8 s ARG 30 Cb -0.13 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.76 1va8 s ARG 30 CO -0.05 -0.03 -0.14 0.42 0.02 0.00 0.00 175.30 175.52 1va8 s ILE 31 N 1.32 2.98 -0.45 1.52 1.01 -0.30 -4.90 121.20 122.38 1va8 s ILE 31 Ca 0.11 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 1va8 s ILE 31 Cb -0.14 -2.22 0.03 0.00 0.01 0.00 0.00 42.46 40.13 1va8 s ILE 31 CO 0.07 0.54 0.80 -1.61 0.00 0.00 0.00 174.94 174.74 1va8 s GLU 32 N 0.05 3.42 0.18 2.79 2.02 -1.26 -0.76 118.70 125.14 1va8 s GLU 32 Ca -0.05 -0.08 0.09 0.00 0.02 0.00 0.00 54.97 54.95 1va8 s GLU 32 Cb -0.15 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 1va8 s GLU 32 CO 0.04 -1.12 -0.11 0.15 0.02 0.00 0.00 175.26 174.24 1va8 s LYS 33 N 3.32 2.00 0.45 1.61 1.02 -0.13 -4.90 119.74 123.11 1va8 s LYS 33 Ca 0.30 -1.29 0.08 0.00 0.02 0.00 0.00 55.97 55.09 1va8 s LYS 33 Cb -0.12 -2.13 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1va8 s LYS 33 CO 0.23 0.43 0.56 0.00 -0.92 0.00 0.00 175.35 175.65 1va8 s ALA 34 N -1.68 4.45 -0.17 5.17 0.00 -1.26 0.18 121.76 128.45 1va8 s ALA 34 Ca 0.24 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.42 1va8 s ALA 34 Cb -0.09 -1.41 0.16 0.00 0.00 0.00 0.00 23.12 21.79 1va8 s ALA 34 CO 0.14 -0.39 1.18 0.54 0.00 0.00 0.00 175.76 177.24 1va8 n ARG 35 N -1.85 1.36 -1.15 0.00 1.74 -1.26 -3.29 116.66 112.20 1va8 n ARG 35 Ca 0.08 -0.72 -0.02 0.00 -0.77 0.00 0.00 57.85 56.42 1va8 n ARG 35 Cb 0.60 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 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 0.11 -0.41 -4.13 0.55 2.03 -1.26 -5.13 116.55 108.32 1va8 n ASP 36 Ca 0.14 -0.97 -0.30 0.00 0.52 0.00 0.00 54.79 54.17 1va8 n ASP 36 Cb 0.75 0.15 -0.17 0.00 -0.72 0.00 0.00 41.12 41.14 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 1.77 0.39 5.18 -1.09 -1.21 -5.12 121.20 121.15 1va8 s ILE 37 Ca 0.01 -0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 57.36 1va8 s ILE 37 Cb 0.06 -1.58 -0.09 0.00 -1.58 0.00 0.00 42.46 39.27 1va8 s ILE 37 CO -0.02 0.50 1.06 -2.16 -1.23 0.00 0.00 174.94 173.09 1va8 s PRO 38 N 0.74 4.20 0.06 2.79 0.04 -1.26 -4.71 135.00 136.85 1va8 s PRO 38 Ca -0.11 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 1va8 s PRO 38 Cb -0.16 -2.60 -0.18 0.00 0.04 0.00 0.00 34.50 31.60 1va8 s PRO 38 CO 0.02 -0.12 1.53 1.25 0.04 0.00 0.00 177.00 179.71 1va8 h LEU 39 N 2.61 -0.67 -0.61 -3.56 5.85 -1.95 -2.97 115.31 114.01 1va8 h LEU 39 Ca -0.48 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.08 1va8 h LEU 39 Cb 1.22 0.17 0.04 0.00 0.37 0.00 0.00 40.66 42.46 1va8 h LEU 39 CO 0.63 -0.43 -0.25 0.61 -0.34 0.00 0.00 178.44 178.66 1va8 n GLY 40 N -1.21 0.33 2.88 3.75 0.00 -1.26 -0.43 105.19 109.25 1va8 n GLY 40 Ca -0.13 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.00 -0.35 0.37 4.61 0.00 -1.26 0.19 121.76 122.32 1va8 s ALA 41 Ca 0.19 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 1va8 s ALA 41 Cb -0.08 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 1va8 s ALA 41 CO 0.23 -0.78 0.73 0.99 0.00 0.00 0.00 175.76 176.94 1va8 s THR 42 N 2.35 4.80 0.01 0.00 2.01 0.24 -4.92 115.64 120.13 1va8 s THR 42 Ca 0.03 0.61 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1va8 s THR 42 Cb -0.13 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1va8 s THR 42 CO -0.09 -0.43 -0.00 0.68 -0.69 0.00 0.00 174.62 174.09 1va8 s VAL 43 N -2.26 0.07 0.33 3.82 -7.23 -1.26 -1.32 120.40 112.55 1va8 s VAL 43 Ca 0.51 -0.55 0.07 0.00 -1.81 0.00 0.00 61.98 60.19 1va8 s VAL 43 Cb -0.10 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.63 1va8 s VAL 43 CO 0.29 -0.30 0.37 0.00 -0.31 0.00 0.00 175.10 175.15 1va8 s ARG 44 N -0.90 2.93 -0.24 4.82 1.70 0.23 -4.67 118.95 122.82 1va8 s ARG 44 Ca -0.10 -1.14 -0.13 0.00 -0.47 0.00 0.00 55.73 53.89 1va8 s ARG 44 Cb -0.06 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.63 1va8 s ARG 44 CO -0.00 0.10 0.29 1.21 -1.08 0.00 0.00 175.30 175.81 1va8 s ASN 45 N -4.07 6.22 0.34 -2.89 3.04 -1.26 -2.58 114.94 113.74 1va8 s ASN 45 Ca 0.42 0.25 0.08 0.00 0.04 0.00 0.00 52.86 53.65 1va8 s ASN 45 Cb -0.08 -2.17 -0.03 0.00 -1.54 0.00 0.00 41.25 37.43 1va8 s ASN 45 CO 0.29 -0.06 0.26 -1.61 -3.04 0.00 0.00 177.10 172.94 1va8 s GLU 46 N 1.53 2.63 0.00 0.43 0.41 0.91 -4.98 118.70 119.63 1va8 s GLU 46 Ca 0.13 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.32 1va8 s GLU 46 Cb -0.15 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1va8 s GLU 46 CO 0.08 0.08 0.00 -1.33 -0.49 0.00 0.00 175.26 173.60 1va8 n MET 47 N -1.33 0.00 -0.77 1.61 2.81 -1.26 -2.35 117.12 115.83 1va8 n MET 47 Ca -0.02 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.85 1va8 n MET 47 Cb 0.60 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.09 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 -3.67 -0.31 -4.14 7.83 8.00 -1.26 -5.04 116.55 117.96 1va8 n ASP 48 Ca 0.00 -1.55 -0.14 0.00 0.71 0.00 0.00 54.79 53.81 1va8 n ASP 48 Cb 0.00 0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.62 1.23 -0.47 -2.24 0.01 -0.99 -1.04 113.70 109.59 1va8 s SER 49 Ca 0.02 -0.72 -0.12 0.00 1.31 0.00 0.00 55.95 56.44 1va8 s SER 49 Cb 0.03 0.02 0.09 0.00 0.21 0.00 0.00 66.02 66.37 1va8 s SER 49 CO -0.01 -0.25 0.36 -0.69 0.41 0.00 0.00 173.24 173.06 1va8 s VAL 50 N -2.09 4.72 0.19 3.43 1.01 -1.26 -0.07 120.40 126.34 1va8 s VAL 50 Ca 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 60.66 1va8 s VAL 50 Cb -0.05 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1va8 s VAL 50 CO -0.00 -0.64 0.16 -0.63 0.00 0.00 0.00 175.10 173.99 1va8 s ILE 51 N 1.51 4.50 0.44 2.22 1.09 -1.06 -0.26 121.20 129.63 1va8 s ILE 51 Ca 0.04 -1.18 -0.24 0.00 -1.10 0.00 0.00 60.65 58.17 1va8 s ILE 51 Cb -0.25 -3.34 -0.08 0.00 -1.06 0.00 0.00 42.46 37.73 1va8 s ILE 51 CO 0.03 -0.19 1.18 -0.63 -0.10 0.00 0.00 174.94 175.23 1va8 s ILE 52 N -1.88 3.07 -0.04 2.92 -1.09 0.32 0.74 121.20 125.24 1va8 s ILE 52 Ca 0.32 0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 59.56 1va8 s ILE 52 Cb -0.09 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 1va8 s ILE 52 CO 0.24 0.02 -0.05 -1.54 -1.23 0.00 0.00 174.94 172.39 1va8 n SER 53 N -0.30 1.44 -3.89 3.58 3.41 -0.43 -3.16 113.62 114.26 1va8 n SER 53 Ca 0.06 0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 1va8 n SER 53 Cb 0.47 -0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.07 1.06 -0.14 4.33 3.52 -0.99 -4.88 118.95 119.78 1va8 s ARG 54 Ca -0.05 -1.06 0.00 0.00 -0.13 0.00 0.00 55.73 54.49 1va8 s ARG 54 Cb 0.02 0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 1va8 s ARG 54 CO 0.08 -0.38 -0.11 0.42 -0.81 0.00 0.00 175.30 174.50 1va8 s ILE 55 N -3.92 1.34 0.33 4.11 -1.09 -1.26 0.79 121.20 121.51 1va8 s ILE 55 Ca 0.12 -0.53 -0.18 0.00 -2.23 0.00 0.00 60.65 57.83 1va8 s ILE 55 Cb 0.03 -1.32 -0.09 0.00 -1.58 0.00 0.00 42.46 39.50 1va8 s ILE 55 CO -0.05 0.38 0.80 -0.69 -1.23 0.00 0.00 174.94 174.16 1va8 s VAL 56 N 1.57 4.57 0.42 2.92 1.01 0.51 -4.94 120.40 126.46 1va8 s VAL 56 Ca 0.04 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.98 1va8 s VAL 56 Cb -0.13 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 1va8 s VAL 56 CO -0.09 -0.14 0.96 -0.75 0.00 0.00 0.00 175.10 175.07 1va8 s LYS 57 N -2.83 4.26 0.00 2.72 2.20 -1.26 -3.26 119.74 121.56 1va8 s LYS 57 Ca 0.54 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1va8 s LYS 57 Cb -0.11 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1va8 s LYS 57 CO 0.17 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 1va8 n GLY 58 N -0.42 2.08 3.80 5.54 0.00 -1.26 -4.97 105.19 109.96 1va8 n GLY 58 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 2.47 0.62 -0.02 0.00 -1.20 -4.90 107.32 102.29 1va8 s GLY 59 Ca 0.00 0.57 0.37 0.00 0.00 0.00 0.00 44.72 45.66 1va8 s GLY 59 CO 0.00 0.88 2.29 0.00 0.00 0.00 0.00 173.10 176.27 1va8 h ALA 60 N 1.53 1.24 0.29 3.20 0.00 -0.57 -1.61 119.26 123.34 1va8 h ALA 60 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1va8 h ALA 60 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1va8 h ALA 60 CO 0.59 0.01 -0.14 0.00 0.00 0.00 0.00 179.25 179.71 1va8 h ALA 61 N 1.99 -0.41 -0.10 0.00 0.00 -1.80 -2.97 119.26 115.97 1va8 h ALA 61 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1va8 h ALA 61 Cb 0.04 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1va8 h ALA 61 CO 0.00 -0.38 -0.48 1.49 0.00 0.00 0.00 179.25 179.89 1va8 h GLU 62 N -1.04 -0.50 -0.05 0.00 4.81 -1.67 1.28 114.58 117.41 1va8 h GLU 62 Ca -0.04 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1va8 h GLU 62 Cb 0.30 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1va8 h GLU 62 CO 0.07 -0.33 -0.03 1.63 -0.73 0.00 0.00 179.01 179.61 1va8 n LYS 63 N -5.07 -0.02 -0.14 1.92 5.02 -0.64 -0.37 118.16 118.86 1va8 n LYS 63 Ca -0.05 0.98 -0.04 0.00 -2.02 0.00 0.00 58.31 57.18 1va8 n LYS 63 Cb 0.33 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.28 0.00 4.39 0.02 -1.31 -3.46 113.55 112.91 1va8 h SER 64 Ca 0.01 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1va8 h SER 64 Cb 0.02 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1va8 h SER 64 CO -0.04 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 1va8 n GLY 65 N -1.31 0.61 0.17 -3.77 0.00 0.44 -4.92 105.19 96.41 1va8 n GLY 65 Ca 0.04 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1va8 n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1va8 h LEU 66 N 0.00 0.00 -8.82 0.99 3.38 -1.83 -3.43 115.31 105.61 1va8 h LEU 66 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1va8 h LEU 66 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 1va8 h LEU 66 CO 0.00 0.29 -0.57 -0.76 0.09 0.00 0.00 178.44 177.49 1va8 s LEU 67 N -6.33 3.73 0.08 1.67 2.01 -1.26 -5.04 118.68 113.55 1va8 s LEU 67 Ca 0.05 -0.08 0.03 0.00 0.01 0.00 0.00 54.13 54.14 1va8 s LEU 67 Cb 0.07 -2.01 -0.03 0.00 0.01 0.00 0.00 46.19 44.22 1va8 s LEU 67 CO 0.72 -0.01 -0.10 -1.00 1.01 0.00 0.00 176.35 176.97 1va8 s HIS 68 N 1.49 0.97 -0.12 0.29 3.76 -1.26 -4.66 115.29 115.75 1va8 s HIS 68 Ca 0.06 -0.61 -0.29 0.00 -0.15 0.00 0.00 55.06 54.07 1va8 s HIS 68 Cb -0.15 -0.55 -0.06 0.00 1.11 0.00 0.00 32.58 32.94 1va8 s HIS 68 CO 0.06 -0.03 1.89 -1.21 -0.85 0.00 0.00 174.74 174.61 1va8 s GLU 69 N -2.44 3.76 0.00 1.40 2.02 -1.26 -1.69 118.70 120.50 1va8 s GLU 69 Ca 0.01 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.11 1va8 s GLU 69 Cb -0.05 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 30.02 1va8 s GLU 69 CO 0.00 -1.36 0.00 0.41 0.02 0.00 0.00 175.26 174.33 1va8 n GLY 70 N 4.87 1.32 3.73 -1.39 0.00 -1.19 -4.05 105.19 108.49 1va8 n GLY 70 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.34 7.47 -0.20 1.61 1.01 -0.68 -4.08 116.67 120.45 1va8 s ASP 71 Ca 0.00 1.85 -0.09 0.00 0.71 0.00 0.00 52.55 55.02 1va8 s ASP 71 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1va8 s ASP 71 CO 0.00 -0.08 0.11 -0.70 0.21 0.00 0.00 175.17 174.71 1va8 s GLU 72 N -0.11 4.07 -0.03 8.23 2.12 -1.14 -0.53 118.70 131.31 1va8 s GLU 72 Ca 0.47 -0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.39 1va8 s GLU 72 Cb -0.24 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1va8 s GLU 72 CO 0.31 0.22 0.35 0.08 -0.54 0.00 0.00 175.26 175.67 1va8 s VAL 73 N 0.57 5.14 0.09 3.70 1.01 0.64 -2.11 120.40 129.43 1va8 s VAL 73 Ca 0.06 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1va8 s VAL 73 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1va8 s VAL 73 CO 0.00 0.59 0.00 0.18 0.00 0.00 0.00 175.10 175.87 1va8 n LEU 74 N 1.85 0.23 -4.00 3.92 4.77 -0.88 -3.67 117.00 119.22 1va8 n LEU 74 Ca -0.15 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 1va8 n LEU 74 Cb 0.53 0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 1va8 n LEU 74 CO 0.36 -0.48 -0.40 -1.61 -1.33 0.00 0.00 177.39 173.93 1va8 s GLU 75 N -2.00 0.47 -0.22 3.23 2.02 -1.19 0.18 118.70 121.19 1va8 s GLU 75 Ca 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.58 1va8 s GLU 75 Cb 0.00 -0.39 0.07 0.00 0.10 0.00 0.00 34.13 33.92 1va8 s GLU 75 CO 0.00 0.10 0.07 0.42 0.02 0.00 0.00 175.26 175.87 1va8 s ILE 76 N -0.53 0.37 -0.73 -1.63 1.01 0.27 -0.14 121.20 119.82 1va8 s ILE 76 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1va8 s ILE 76 Cb -0.05 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1va8 s ILE 76 CO 0.00 -0.39 0.00 -3.20 0.00 0.00 0.00 174.94 171.35 1va8 n ASN 77 N 5.09 -4.98 0.00 3.58 2.85 0.79 -1.24 115.26 121.35 1va8 n ASN 77 Ca -0.07 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1va8 n ASN 77 Cb 0.46 -3.09 0.00 0.00 1.24 0.00 0.00 39.78 38.39 1va8 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1va8 n GLY 78 N -0.60 1.78 3.72 8.20 0.00 -1.26 -4.98 105.19 112.04 1va8 n GLY 78 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.98 3.62 0.68 -0.61 1.09 -0.37 -4.97 121.20 118.66 1va8 s ILE 79 Ca 0.00 1.19 -0.14 0.00 -1.10 0.00 0.00 60.65 60.60 1va8 s ILE 79 Cb 0.00 -3.77 0.01 0.00 -1.06 0.00 0.00 42.46 37.65 1va8 s ILE 79 CO 0.00 0.11 1.11 -1.61 -0.10 0.00 0.00 174.94 174.46 1va8 s GLU 80 N 0.84 2.66 0.00 2.79 2.02 -1.26 0.96 118.70 126.70 1va8 s GLU 80 Ca 0.60 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.98 1va8 s GLU 80 Cb -0.33 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1va8 s GLU 80 CO 0.31 -1.36 0.00 -0.89 0.02 0.00 0.00 175.26 173.34 1va8 n ILE 81 N -2.61 0.00 -1.57 -1.63 2.08 0.49 -4.78 119.36 111.33 1va8 n ILE 81 Ca 0.10 0.00 -0.61 0.00 0.56 0.00 0.00 62.75 62.80 1va8 n ILE 81 Cb 0.52 -1.03 -0.09 0.00 -0.75 0.00 0.00 39.64 38.30 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 -2.74 0.00 0.00 0.38 0.63 -1.17 0.48 116.66 114.24 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 0.29 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.72 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 2.42 2.37 3.03 5.14 0.00 -0.20 -4.95 105.19 113.00 1va8 n GLY 83 Ca 0.24 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.03 -3.02 1.61 5.02 0.18 -4.90 118.16 117.01 1va8 n LYS 84 Ca 0.00 -0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1va8 n LYS 84 Cb 0.00 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.08 6.30 0.14 4.39 2.15 -1.26 -4.81 116.67 122.50 1va8 s ASP 85 Ca 0.41 0.71 -0.18 0.00 0.43 0.00 0.00 52.55 53.92 1va8 s ASP 85 Cb -0.17 -2.15 0.03 0.00 -0.30 0.00 0.00 42.92 40.33 1va8 s ASP 85 CO 0.81 -0.42 1.72 -0.37 -0.17 0.00 0.00 175.17 176.74 1va8 h VAL 86 N 0.56 0.81 -0.38 1.11 -1.51 -1.91 0.74 116.25 115.67 1va8 h VAL 86 Ca -0.48 -0.03 0.01 0.00 -1.23 0.00 0.00 66.70 64.96 1va8 h VAL 86 Cb 1.21 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 1va8 h VAL 86 CO 0.62 0.02 0.23 -1.13 -1.23 0.00 0.00 177.57 176.08 1va8 h ASN 87 N 0.10 0.39 -0.32 4.19 -0.73 -1.96 0.71 115.58 117.96 1va8 h ASN 87 Ca 0.14 -0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.37 1va8 h ASN 87 Cb 0.17 -0.09 -0.07 0.00 0.27 0.00 0.00 38.32 38.61 1va8 h ASN 87 CO -0.22 0.28 -0.13 -0.08 -0.37 0.00 0.00 177.43 176.91 1va8 h GLU 88 N 0.47 -0.07 0.64 6.67 4.81 -1.70 0.61 114.58 126.01 1va8 h GLU 88 Ca 0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1va8 h GLU 88 Cb -0.02 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1va8 h GLU 88 CO -0.05 -0.05 -0.33 0.28 -0.73 0.00 0.00 179.01 178.13 1va8 h VAL 89 N -0.07 0.32 -0.99 0.32 2.07 -0.45 0.79 116.25 118.24 1va8 h VAL 89 Ca 0.16 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.88 1va8 h VAL 89 Cb 0.32 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.29 1va8 h VAL 89 CO -0.37 0.00 0.58 -0.26 0.02 0.00 0.00 177.57 177.54 1va8 h PHE 90 N -0.90 1.01 -0.20 1.57 0.04 -0.36 0.65 116.94 118.74 1va8 h PHE 90 Ca -0.08 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 1va8 h PHE 90 Cb 0.70 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1va8 h PHE 90 CO -0.05 0.18 -0.27 0.22 -0.60 0.00 0.00 178.31 177.78 1va8 h ASP 91 N 0.69 0.38 0.22 2.17 3.58 0.68 -1.64 116.42 122.50 1va8 h ASP 91 Ca 0.58 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 1va8 h ASP 91 Cb 0.96 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1va8 h ASP 91 CO -0.41 0.65 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.42 1va8 h LEU 92 N 0.34 -0.25 -0.67 2.28 3.38 0.27 -1.56 115.31 119.09 1va8 h LEU 92 Ca 0.05 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1va8 h LEU 92 Cb 0.66 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 1va8 h LEU 92 CO 0.05 -0.13 -0.56 -0.07 0.09 0.00 0.00 178.44 177.81 1va8 h LEU 93 N -0.40 -1.98 -0.80 1.67 -0.00 -0.99 0.44 115.31 113.24 1va8 h LEU 93 Ca -0.03 0.28 0.14 0.00 -0.00 0.00 0.00 57.88 58.27 1va8 h LEU 93 Cb 0.23 0.84 -0.14 0.00 -0.00 0.00 0.00 40.66 41.59 1va8 h LEU 93 CO 0.05 -0.32 -0.29 -1.28 -0.00 0.00 0.00 178.44 176.60 1va8 h SER 94 N -0.21 -1.06 -0.35 -0.43 0.87 -1.37 1.79 113.55 112.78 1va8 h SER 94 Ca 0.11 0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.96 1va8 h SER 94 Cb 0.50 0.60 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1va8 h SER 94 CO -0.74 -0.29 0.24 -0.78 -0.53 0.00 0.00 176.83 174.72 1va8 h ASP 95 N -0.05 0.32 -3.28 6.23 3.58 0.50 -3.42 116.42 120.30 1va8 h ASP 95 Ca 0.33 -0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.30 1va8 h ASP 95 Cb 0.59 -0.07 0.04 0.00 1.72 0.00 0.00 39.33 41.60 1va8 h ASP 95 CO -0.83 0.22 0.03 -0.04 -2.88 0.00 0.00 179.24 175.74 1va8 s MET 96 N -5.35 3.25 0.21 0.28 -1.94 0.61 -5.09 119.30 111.27 1va8 s MET 96 Ca -0.07 -0.10 -0.22 0.00 -1.71 0.00 0.00 55.69 53.59 1va8 s MET 96 Cb 0.18 -2.43 0.05 0.00 2.01 0.00 0.00 34.83 34.63 1va8 s MET 96 CO 0.72 -0.31 0.65 -1.01 -0.01 0.00 0.00 175.02 175.06 1va8 s HIS 97 N -2.70 -0.39 0.00 -0.03 3.76 -1.26 -4.83 115.29 109.84 1va8 s HIS 97 Ca 0.48 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 1va8 s HIS 97 Cb -0.10 0.62 0.00 0.00 1.11 0.00 0.00 32.58 34.20 1va8 s HIS 97 CO 0.42 -1.01 0.00 0.41 -0.85 0.00 0.00 174.74 173.71 1va8 n GLY 98 N -0.41 -1.75 3.55 -2.22 0.00 0.48 -4.72 105.19 100.11 1va8 n GLY 98 Ca -0.12 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 3.44 -0.11 2.61 2.01 -1.25 -0.96 115.64 121.38 1va8 s THR 99 Ca 0.00 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 1va8 s THR 99 Cb 0.00 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1va8 s THR 99 CO 0.00 -1.10 0.20 -0.76 -0.69 0.00 0.00 174.62 172.27 1va8 s LEU 100 N 8.49 4.37 -0.48 4.42 1.02 0.06 -4.85 118.68 131.70 1va8 s LEU 100 Ca 0.61 0.54 -0.22 0.00 0.02 0.00 0.00 54.13 55.08 1va8 s LEU 100 Cb -0.11 -2.20 0.04 0.00 0.02 0.00 0.00 46.19 43.94 1va8 s LEU 100 CO 0.17 0.34 0.74 -0.89 0.02 0.00 0.00 176.35 176.73 1va8 s THR 101 N -0.74 4.69 -0.32 5.49 2.01 -1.26 -1.15 115.64 124.35 1va8 s THR 101 Ca 0.16 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 1va8 s THR 101 Cb -0.13 -4.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 1va8 s THR 101 CO 0.05 -0.80 0.50 -0.36 -0.69 0.00 0.00 174.62 173.32 1va8 s PHE 102 N 3.15 3.20 -0.69 4.92 0.40 0.19 -0.15 117.98 129.01 1va8 s PHE 102 Ca 0.24 0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 56.74 1va8 s PHE 102 Cb -0.15 -2.84 0.18 0.00 0.51 0.00 0.00 43.02 40.72 1va8 s PHE 102 CO 0.18 -0.45 0.63 0.08 0.70 0.00 0.00 175.22 176.36 1va8 s VAL 103 N 2.34 5.28 0.11 -0.44 1.01 0.80 -0.46 120.40 129.05 1va8 s VAL 103 Ca 0.19 -2.10 0.01 0.00 0.00 0.00 0.00 61.98 60.07 1va8 s VAL 103 Cb -0.15 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1va8 s VAL 103 CO 0.12 -0.95 -0.03 -1.48 0.00 0.00 0.00 175.10 172.77 1va8 s LEU 104 N 0.75 2.32 -0.22 3.92 0.05 -1.17 -2.07 118.68 122.25 1va8 s LEU 104 Ca 0.12 -1.07 -0.06 0.00 0.05 0.00 0.00 54.13 53.17 1va8 s LEU 104 Cb -0.19 0.03 -0.03 0.00 -2.05 0.00 0.00 46.19 43.96 1va8 s LEU 104 CO -0.04 -0.55 0.03 -0.63 -0.55 0.00 0.00 176.35 174.61 1va8 s ILE 105 N -3.74 4.09 -0.27 1.48 1.01 -0.90 -1.92 121.20 120.95 1va8 s ILE 105 Ca 0.15 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 1va8 s ILE 105 Cb 0.06 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1va8 s ILE 105 CO -0.03 0.39 1.34 -2.16 0.00 0.00 0.00 174.94 174.48 1va8 s PRO 106 N 1.27 3.95 -1.03 2.79 0.04 -1.26 -2.90 135.00 137.85 1va8 s PRO 106 Ca 0.04 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 1va8 s PRO 106 Cb -0.15 -3.88 -0.07 0.00 0.04 0.00 0.00 34.50 30.44 1va8 s PRO 106 CO 0.02 -1.08 2.33 0.45 0.04 0.00 0.00 177.00 178.75 1va8 n SER 107 N 7.58 5.73 -2.61 6.66 2.88 -1.26 -4.46 113.62 128.14 1va8 n SER 107 Ca 0.15 -2.37 -0.03 0.00 -1.33 0.00 0.00 58.87 55.29 1va8 n SER 107 Cb 0.46 -1.19 -0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 3.98 -1.26 -0.71 -3.46 7.64 -1.26 -4.30 113.62 114.24 1va8 n SER 108 Ca 0.51 0.38 0.07 0.00 1.01 0.00 0.00 58.87 60.84 1va8 n SER 108 Cb 0.18 -1.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 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 -0.56 -3.07 3.57 0.23 0.00 -1.26 -4.54 105.19 99.57 1va8 n GLY 109 Ca -0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.80 3.20 0.20 1.61 0.04 -1.26 -4.95 135.00 130.04 1va8 s PRO 110 Ca 0.00 -1.31 -0.07 0.00 0.04 0.00 0.00 61.00 59.66 1va8 s PRO 110 Cb 0.00 -5.34 -0.06 0.00 0.04 0.00 0.00 34.50 29.14 1va8 s PRO 110 CO 0.00 -3.01 0.48 -1.12 0.04 0.00 0.00 177.00 173.40 1va8 s SER 111 N 5.71 6.56 -0.32 6.66 0.01 -1.26 -5.07 113.70 125.99 1va8 s SER 111 Ca 0.60 0.77 -0.08 0.00 1.31 0.00 0.00 55.95 58.55 1va8 s SER 111 Cb 0.00 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.08 1va8 s SER 111 CO 0.05 -0.03 0.12 -0.55 0.41 0.00 0.00 173.24 173.24 1va8 s SER 112 N -2.46 5.33 0.00 2.44 0.15 -1.26 -5.21 113.70 112.69 1va8 s SER 112 Ca 0.45 -0.79 0.19 0.00 0.70 0.00 0.00 55.95 56.50 1va8 s SER 112 Cb -0.11 -1.92 1.14 0.00 -1.71 0.00 0.00 66.02 63.41 1va8 s SER 112 CO 0.23 -0.24 1.53 0.61 1.20 0.00 0.00 173.24 176.57