#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 6.94 0.02 1.61 0.15 -1.26 -4.99 113.70 116.17 1va8 s SER 2 Ca 0.00 1.37 -0.03 0.00 0.70 0.00 0.00 55.95 58.00 1va8 s SER 2 Cb 0.00 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1va8 s SER 2 CO 0.00 -0.07 -0.05 -0.24 1.20 0.00 0.00 173.24 174.07 1va8 n SER 3 N 0.25 0.87 0.00 5.45 2.88 -1.26 -5.15 113.62 116.66 1va8 n SER 3 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1va8 n SER 3 Cb 0.52 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 3.00 -0.96 3.95 0.46 0.00 -1.26 -5.19 105.19 105.19 1va8 n GLY 4 Ca -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1va8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1va8 s SER 5 N -4.00 0.00 0.00 1.61 1.04 -1.26 -5.04 113.70 106.05 1va8 s SER 5 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1va8 s SER 5 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1va8 s SER 5 CO 0.00 -0.45 0.00 -1.20 0.98 0.00 0.00 173.24 172.57 1va8 n SER 6 N -1.08 0.00 0.00 7.02 7.64 -1.26 -4.77 113.62 121.17 1va8 n SER 6 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1va8 n SER 6 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 3.66 3.56 0.23 0.00 -1.26 -5.00 105.19 106.38 1va8 n GLY 7 Ca 0.00 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.92 3.09 -0.05 1.61 0.04 -1.26 -4.97 135.00 129.54 1va8 s PRO 8 Ca 0.00 0.39 -0.28 0.00 0.04 0.00 0.00 61.00 61.15 1va8 s PRO 8 Cb 0.00 -4.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 1va8 s PRO 8 CO 0.00 -2.20 0.91 0.42 0.04 0.00 0.00 177.00 176.17 1va8 s ILE 9 N 6.85 4.89 0.23 0.56 -1.09 -1.26 -5.04 121.20 126.33 1va8 s ILE 9 Ca 0.54 1.88 0.06 0.00 -2.23 0.00 0.00 60.65 60.90 1va8 s ILE 9 Cb -0.11 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 1va8 s ILE 9 CO 0.22 0.14 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.09 1va8 s THR 10 N 1.27 1.54 -0.38 2.92 2.01 -1.26 -5.12 115.64 116.63 1va8 s THR 10 Ca 0.47 -2.14 -0.15 0.00 0.31 0.00 0.00 61.69 60.18 1va8 s THR 10 Cb -0.19 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1va8 s THR 10 CO 0.22 -0.47 0.31 1.51 -0.69 0.00 0.00 174.62 175.50 1va8 s ASP 11 N -3.34 6.12 -0.30 3.53 1.47 -1.26 -4.99 116.67 117.89 1va8 s ASP 11 Ca 0.25 -0.60 -0.18 0.00 1.18 0.00 0.00 52.55 53.20 1va8 s ASP 11 Cb 0.02 -2.17 0.18 0.00 -0.34 0.00 0.00 42.92 40.62 1va8 s ASP 11 CO 0.08 -0.39 1.18 -1.83 0.68 0.00 0.00 175.17 174.90 1va8 s GLU 12 N 1.82 0.12 -0.26 2.11 -1.05 -1.26 -5.07 118.70 115.12 1va8 s GLU 12 Ca 0.08 0.31 -0.04 0.00 -0.15 0.00 0.00 54.97 55.17 1va8 s GLU 12 Cb -0.18 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1va8 s GLU 12 CO 0.11 -0.05 0.11 0.54 0.95 0.00 0.00 175.26 176.92 1va8 n ARG 13 N 4.74 -2.58 0.00 -4.83 1.74 -1.26 -4.90 116.66 109.57 1va8 n ARG 13 Ca -0.07 2.20 0.00 0.00 -0.77 0.00 0.00 57.85 59.21 1va8 n ARG 13 Cb 0.54 -4.30 0.00 0.00 -1.02 0.00 0.00 32.46 27.69 1va8 n ARG 13 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1va8 n VAL 14 N 0.67 0.00 -0.71 1.55 3.14 -1.26 -5.14 118.33 116.58 1va8 n VAL 14 Ca 0.01 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.16 1va8 n VAL 14 Cb 0.20 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.98 1va8 n VAL 14 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1va8 n TYR 15 N 0.00 -0.99 0.00 1.45 4.02 -1.26 -4.95 117.16 115.43 1va8 n TYR 15 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 57.90 58.26 1va8 n TYR 15 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 39.34 38.35 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 0.69 3.26 -1.52 -0.72 2.13 -1.26 -4.76 120.64 118.45 1va8 n GLU 16 Ca 0.07 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.49 1va8 n GLU 16 Cb 0.20 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.84 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 1.77 -4.82 4.31 7.64 -1.26 -4.90 113.62 116.36 1va8 n SER 17 Ca 0.00 -0.17 -0.38 0.00 1.01 0.00 0.00 58.87 59.33 1va8 n SER 17 Cb 0.00 -1.36 -0.06 0.00 -1.01 0.00 0.00 64.21 61.78 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 10.56 4.80 0.00 0.44 1.01 -1.26 -5.03 121.20 131.72 1va8 s ILE 18 Ca 1.10 1.07 0.00 0.00 0.00 0.00 0.00 60.65 62.83 1va8 s ILE 18 Cb -0.57 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1va8 s ILE 18 CO 0.36 0.47 0.58 0.61 0.00 0.00 0.00 174.94 176.96 1va8 n GLY 19 N 1.48 -3.25 3.52 6.18 0.00 -1.26 -4.17 105.19 107.69 1va8 n GLY 19 Ca -0.09 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.05 0.83 -0.41 1.61 -0.00 -1.26 -3.67 115.22 111.27 1va8 n HIS 20 Ca 0.00 0.21 -0.14 0.00 -0.00 0.00 0.00 57.72 57.79 1va8 n HIS 20 Cb 0.00 -2.25 0.07 0.00 -0.00 0.00 0.00 29.99 27.81 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 12.39 1.59 0.00 1.57 4.02 -1.25 -4.87 117.16 130.61 1va8 n TYR 21 Ca 0.55 -1.49 0.00 0.00 -0.01 0.00 0.00 57.90 56.96 1va8 n TYR 21 Cb 0.25 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 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 -0.12 2.03 0.00 2.72 0.00 -1.26 -4.71 105.19 103.84 1va8 n GLY 22 Ca 0.31 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.00 -0.02 0.00 -1.26 -5.07 105.19 98.84 1va8 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.26 -0.07 -3.81 1.61 2.13 -1.26 -5.09 120.64 111.89 1va8 n GLU 24 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1va8 n GLU 24 Cb 0.44 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.98 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 -0.91 0.21 0.06 6.31 -4.23 -1.26 -3.81 115.64 112.00 1va8 s THR 25 Ca 0.00 0.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1va8 s THR 25 Cb 0.00 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1va8 s THR 25 CO 0.00 0.21 0.01 0.68 -0.54 0.00 0.00 174.62 174.97 1va8 s VAL 26 N 1.70 4.10 -0.29 2.29 -7.23 -1.24 -4.80 120.40 114.94 1va8 s VAL 26 Ca 0.00 -0.84 -0.07 0.00 -1.81 0.00 0.00 61.98 59.26 1va8 s VAL 26 Cb -0.13 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1va8 s VAL 26 CO -0.03 0.21 0.07 -0.75 -0.31 0.00 0.00 175.10 174.28 1va8 s LYS 27 N -2.06 3.14 0.18 4.82 2.20 0.01 -4.70 119.74 123.32 1va8 s LYS 27 Ca 0.24 -0.82 -0.22 0.00 -0.36 0.00 0.00 55.97 54.81 1va8 s LYS 27 Cb -0.12 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.78 1va8 s LYS 27 CO 0.16 -0.41 0.72 0.42 -0.36 0.00 0.00 175.35 175.88 1va8 s ILE 28 N 1.50 4.51 -0.14 5.43 1.09 -1.26 -2.24 121.20 130.10 1va8 s ILE 28 Ca 0.03 1.43 -0.05 0.00 -1.10 0.00 0.00 60.65 60.96 1va8 s ILE 28 Cb -0.17 -3.97 0.06 0.00 -1.06 0.00 0.00 42.46 37.33 1va8 s ILE 28 CO 0.02 0.37 0.29 0.68 -0.10 0.00 0.00 174.94 176.20 1va8 s VAL 29 N -1.34 -0.36 -0.38 2.92 -7.23 0.72 -4.97 120.40 109.77 1va8 s VAL 29 Ca 0.39 0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 60.63 1va8 s VAL 29 Cb -0.19 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.27 1va8 s VAL 29 CO 0.23 0.10 0.37 -0.13 -0.31 0.00 0.00 175.10 175.35 1va8 s ARG 30 N 2.18 3.33 -0.09 4.82 0.52 -1.26 0.34 118.95 128.79 1va8 s ARG 30 Ca -0.02 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1va8 s ARG 30 Cb -0.11 -3.88 -0.03 0.00 0.52 0.00 0.00 34.95 31.45 1va8 s ARG 30 CO -0.09 -0.65 -0.03 0.42 0.02 0.00 0.00 175.30 174.97 1va8 s ILE 31 N 1.98 4.05 -0.29 1.52 1.01 -0.65 -4.88 121.20 123.94 1va8 s ILE 31 Ca 0.10 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 1va8 s ILE 31 Cb -0.17 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1va8 s ILE 31 CO 0.12 0.58 0.41 -1.61 0.00 0.00 0.00 174.94 174.44 1va8 s GLU 32 N -0.65 3.90 -0.13 2.79 2.02 -1.26 -0.79 118.70 124.57 1va8 s GLU 32 Ca 0.10 -0.02 0.01 0.00 0.02 0.00 0.00 54.97 55.08 1va8 s GLU 32 Cb -0.12 -3.70 0.02 0.00 0.10 0.00 0.00 34.13 30.43 1va8 s GLU 32 CO 0.02 -0.38 -0.15 0.15 0.02 0.00 0.00 175.26 174.92 1va8 s LYS 33 N 2.14 2.34 1.13 1.61 1.02 -1.05 -4.90 119.74 122.04 1va8 s LYS 33 Ca 0.16 -0.59 -0.13 0.00 0.02 0.00 0.00 55.97 55.43 1va8 s LYS 33 Cb -0.16 -2.05 0.26 0.00 -0.52 0.00 0.00 37.83 35.37 1va8 s LYS 33 CO 0.11 -0.14 1.04 0.00 -0.92 0.00 0.00 175.35 175.44 1va8 s ALA 34 N 1.20 -0.15 -2.00 5.17 0.00 -1.26 0.25 121.76 124.97 1va8 s ALA 34 Ca -0.01 -0.22 0.24 0.00 0.00 0.00 0.00 51.96 51.97 1va8 s ALA 34 Cb -0.14 -3.20 1.41 0.00 0.00 0.00 0.00 23.12 21.19 1va8 s ALA 34 CO -0.06 -3.61 1.79 0.54 0.00 0.00 0.00 175.76 174.42 1va8 n ARG 35 N -4.74 0.79 -1.30 0.00 1.74 -1.26 -2.69 116.66 109.20 1va8 n ARG 35 Ca 0.03 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 1va8 n ARG 35 Cb 0.55 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1va8 n ARG 35 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1va8 n ASP 36 N -0.97 0.48 -4.28 0.55 5.75 -1.26 -5.07 116.55 111.75 1va8 n ASP 36 Ca 0.18 -1.98 -0.33 0.00 -0.01 0.00 0.00 54.79 52.65 1va8 n ASP 36 Cb 0.08 -0.16 -0.15 0.00 -1.03 0.00 0.00 41.12 39.86 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1va8 s ILE 37 N 0.00 2.75 0.75 2.12 -1.09 -1.09 -5.12 121.20 119.52 1va8 s ILE 37 Ca 0.24 -0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 1va8 s ILE 37 Cb 0.27 -2.16 0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1va8 s ILE 37 CO -0.12 0.51 1.08 -2.16 -1.23 0.00 0.00 174.94 173.03 1va8 s PRO 38 N 0.74 2.47 0.09 2.79 0.04 -1.26 -4.55 135.00 135.33 1va8 s PRO 38 Ca -0.06 0.77 -0.14 0.00 0.04 0.00 0.00 61.00 61.61 1va8 s PRO 38 Cb -0.15 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 1va8 s PRO 38 CO 0.01 -1.38 1.32 1.25 0.04 0.00 0.00 177.00 178.24 1va8 h LEU 39 N -0.92 0.84 -0.31 -3.56 5.85 -1.97 -3.22 115.31 112.02 1va8 h LEU 39 Ca -0.46 -0.59 -0.41 0.00 0.84 0.00 0.00 57.88 57.27 1va8 h LEU 39 Cb 1.24 -0.24 0.11 0.00 0.37 0.00 0.00 40.66 42.14 1va8 h LEU 39 CO 0.58 1.28 -0.66 0.61 -0.34 0.00 0.00 178.44 179.91 1va8 n GLY 40 N 0.55 -0.54 2.88 3.75 0.00 -1.26 -2.60 105.19 107.96 1va8 n GLY 40 Ca -0.06 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.28 -0.34 0.35 4.61 0.00 -1.26 0.58 121.76 122.43 1va8 s ALA 41 Ca 0.51 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 1va8 s ALA 41 Cb -0.23 -1.03 -0.08 0.00 0.00 0.00 0.00 23.12 21.79 1va8 s ALA 41 CO 0.63 -0.76 0.74 0.99 0.00 0.00 0.00 175.76 177.36 1va8 s THR 42 N 2.35 4.75 0.09 0.00 2.01 0.13 -4.93 115.64 120.04 1va8 s THR 42 Ca 0.03 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1va8 s THR 42 Cb -0.13 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1va8 s THR 42 CO -0.08 -0.33 -0.08 0.68 -0.69 0.00 0.00 174.62 174.12 1va8 s VAL 43 N -2.14 0.72 0.23 3.82 -7.23 -1.26 -1.52 120.40 113.01 1va8 s VAL 43 Ca 0.52 -1.72 0.08 0.00 -1.81 0.00 0.00 61.98 59.06 1va8 s VAL 43 Cb -0.10 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 1va8 s VAL 43 CO 0.24 -0.72 0.07 0.00 -0.31 0.00 0.00 175.10 174.38 1va8 s ARG 44 N -3.19 2.57 -0.47 4.82 1.70 0.38 -4.60 118.95 120.15 1va8 s ARG 44 Ca 0.06 -1.18 -0.18 0.00 -0.47 0.00 0.00 55.73 53.96 1va8 s ARG 44 Cb 0.01 -2.38 0.05 0.00 -0.57 0.00 0.00 34.95 32.06 1va8 s ARG 44 CO -0.03 0.41 0.54 -0.80 -1.08 0.00 0.00 175.30 174.34 1va8 s ASN 45 N -3.49 6.21 0.44 -2.89 0.02 -1.26 -2.78 114.94 111.19 1va8 s ASN 45 Ca 0.31 -0.87 0.01 0.00 -1.02 0.00 0.00 52.86 51.29 1va8 s ASN 45 Cb -0.08 -2.26 -0.00 0.00 0.02 0.00 0.00 41.25 38.93 1va8 s ASN 45 CO 0.21 -0.76 0.65 -1.61 0.02 0.00 0.00 177.10 175.62 1va8 s GLU 46 N 2.34 3.05 0.01 -0.60 0.41 0.30 -4.95 118.70 119.26 1va8 s GLU 46 Ca 0.13 -0.57 -0.02 0.00 -0.41 0.00 0.00 54.97 54.10 1va8 s GLU 46 Cb -0.19 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 1va8 s GLU 46 CO 0.12 -0.25 0.09 -1.33 -0.49 0.00 0.00 175.26 173.40 1va8 n MET 47 N -2.04 -0.02 -0.80 1.61 2.81 -1.26 -2.58 117.12 114.84 1va8 n MET 47 Ca 0.01 0.09 -0.02 0.00 -1.81 0.00 0.00 57.70 55.97 1va8 n MET 47 Cb 0.58 -0.14 -0.03 0.00 -0.71 0.00 0.00 33.22 32.93 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 -4.08 -0.30 -4.16 7.83 8.00 -1.26 -5.04 116.55 117.53 1va8 n ASP 48 Ca 0.00 -1.61 -0.15 0.00 0.71 0.00 0.00 54.79 53.74 1va8 n ASP 48 Cb 0.02 0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 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 -0.71 1.45 -0.59 -2.24 0.01 -1.07 -1.77 113.70 108.79 1va8 s SER 49 Ca 0.03 -0.73 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 1va8 s SER 49 Cb 0.04 -0.01 0.15 0.00 0.21 0.00 0.00 66.02 66.41 1va8 s SER 49 CO -0.02 -0.20 0.49 -0.69 0.41 0.00 0.00 173.24 173.23 1va8 s VAL 50 N -1.99 4.76 0.07 3.43 1.01 -1.26 -0.54 120.40 125.87 1va8 s VAL 50 Ca 0.02 -1.98 0.01 0.00 0.00 0.00 0.00 61.98 60.03 1va8 s VAL 50 Cb -0.06 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1va8 s VAL 50 CO 0.01 -0.87 0.17 -0.63 0.00 0.00 0.00 175.10 173.78 1va8 s ILE 51 N 1.02 5.14 0.47 2.22 1.09 -1.12 -0.68 121.20 129.35 1va8 s ILE 51 Ca 0.09 -0.50 -0.23 0.00 -1.10 0.00 0.00 60.65 58.90 1va8 s ILE 51 Cb -0.23 -3.51 -0.07 0.00 -1.06 0.00 0.00 42.46 37.59 1va8 s ILE 51 CO -0.02 0.13 1.24 -0.63 -0.10 0.00 0.00 174.94 175.57 1va8 s ILE 52 N -1.48 2.73 -0.03 2.92 -1.09 -0.73 0.14 121.20 123.65 1va8 s ILE 52 Ca 0.33 0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 59.30 1va8 s ILE 52 Cb -0.13 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 1va8 s ILE 52 CO 0.26 0.01 -0.05 -1.54 -1.23 0.00 0.00 174.94 172.40 1va8 n SER 53 N -0.52 0.28 -4.04 3.58 3.41 -0.58 -3.22 113.62 112.53 1va8 n SER 53 Ca 0.07 0.05 -0.08 0.00 -0.26 0.00 0.00 58.87 58.65 1va8 n SER 53 Cb 0.46 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.80 -0.16 4.33 3.52 -1.01 -4.83 118.95 119.54 1va8 s ARG 54 Ca -0.05 -1.21 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 1va8 s ARG 54 Cb 0.02 0.27 0.03 0.00 -1.56 0.00 0.00 34.95 33.71 1va8 s ARG 54 CO 0.06 -0.22 -0.11 0.42 -0.81 0.00 0.00 175.30 174.65 1va8 s ILE 55 N -3.94 1.43 0.35 4.11 -1.09 -1.26 0.22 121.20 121.02 1va8 s ILE 55 Ca 0.12 -0.67 -0.25 0.00 -2.23 0.00 0.00 60.65 57.63 1va8 s ILE 55 Cb 0.07 -1.43 -0.10 0.00 -1.58 0.00 0.00 42.46 39.41 1va8 s ILE 55 CO -0.06 0.32 0.95 -0.69 -1.23 0.00 0.00 174.94 174.23 1va8 s VAL 56 N 1.52 4.23 0.17 2.92 1.01 0.20 -4.95 120.40 125.50 1va8 s VAL 56 Ca 0.03 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 1va8 s VAL 56 Cb -0.14 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1va8 s VAL 56 CO -0.09 0.02 0.93 -0.75 0.00 0.00 0.00 175.10 175.21 1va8 s LYS 57 N -2.36 4.76 0.00 2.72 2.47 -1.26 -3.11 119.74 122.96 1va8 s LYS 57 Ca 0.53 1.44 0.00 0.00 -1.56 0.00 0.00 55.97 56.38 1va8 s LYS 57 Cb -0.16 -3.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.88 1va8 s LYS 57 CO 0.21 0.38 0.00 0.41 0.16 0.00 0.00 175.35 176.51 1va8 n GLY 58 N 1.87 1.25 3.76 5.54 0.00 -1.26 -5.03 105.19 111.31 1va8 n GLY 58 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.81 3.00 0.42 -0.02 0.00 -1.18 -4.81 107.32 102.91 1va8 s GLY 59 Ca 0.00 0.75 0.22 0.00 0.00 0.00 0.00 44.72 45.69 1va8 s GLY 59 CO 0.00 1.30 1.74 0.00 0.00 0.00 0.00 173.10 176.14 1va8 h ALA 60 N 3.60 2.40 0.32 3.20 0.00 -1.51 0.46 119.26 127.72 1va8 h ALA 60 Ca -0.47 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1va8 h ALA 60 Cb 1.21 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1va8 h ALA 60 CO 0.66 -0.85 -0.17 0.00 0.00 0.00 0.00 179.25 178.89 1va8 h ALA 61 N 1.60 -0.45 0.50 0.00 0.00 -1.80 -0.94 119.26 118.17 1va8 h ALA 61 Ca 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1va8 h ALA 61 Cb 1.78 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1va8 h ALA 61 CO -0.30 -0.76 -0.24 1.49 0.00 0.00 0.00 179.25 179.44 1va8 h GLU 62 N -0.45 -0.65 -0.49 0.00 4.81 -0.53 0.81 114.58 118.07 1va8 h GLU 62 Ca -0.04 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1va8 h GLU 62 Cb 0.36 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1va8 h GLU 62 CO 0.05 -0.37 -0.30 0.87 -0.73 0.00 0.00 179.01 178.54 1va8 h LYS 63 N -0.83 -0.01 -0.69 1.92 1.57 -0.38 0.21 116.57 118.36 1va8 h LYS 63 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1va8 h LYS 63 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1va8 h LYS 63 CO 0.11 -0.01 0.38 0.66 -0.57 0.00 0.00 179.45 180.02 1va8 h SER 64 N -0.01 0.87 -2.54 0.86 4.64 -1.18 -3.47 113.55 112.72 1va8 h SER 64 Ca 0.08 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 1va8 h SER 64 Cb 0.21 -0.22 0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1va8 h SER 64 CO -0.47 0.72 -0.19 0.61 -0.87 0.00 0.00 176.83 176.63 1va8 n GLY 65 N -1.07 0.43 0.40 -0.77 0.00 0.28 -4.95 105.19 99.52 1va8 n GLY 65 Ca 0.06 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.74 1.80 -3.94 0.99 4.77 -1.15 -4.92 117.00 112.82 1va8 n LEU 66 Ca -0.03 -0.97 -0.26 0.00 -0.03 0.00 0.00 56.01 54.73 1va8 n LEU 66 Cb 0.53 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.45 1va8 n LEU 66 CO 0.17 0.35 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.37 1va8 s LEU 67 N -1.00 1.32 0.09 2.23 1.43 -1.26 -4.97 118.68 116.52 1va8 s LEU 67 Ca 0.12 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1va8 s LEU 67 Cb 0.09 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 1va8 s LEU 67 CO 0.15 -0.07 -0.08 -1.00 0.23 0.00 0.00 176.35 175.58 1va8 s HIS 68 N 1.34 0.92 -0.18 0.29 3.76 -1.26 -4.72 115.29 115.44 1va8 s HIS 68 Ca -0.02 -0.71 -0.30 0.00 -0.15 0.00 0.00 55.06 53.88 1va8 s HIS 68 Cb -0.14 -0.52 -0.07 0.00 1.11 0.00 0.00 32.58 32.96 1va8 s HIS 68 CO -0.04 -0.07 2.14 0.39 -0.85 0.00 0.00 174.74 176.32 1va8 n GLU 69 N 0.56 2.00 0.00 1.40 1.02 -1.26 -2.96 120.64 121.40 1va8 n GLU 69 Ca -0.16 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1va8 n GLU 69 Cb 0.58 -3.02 0.00 0.00 -0.02 0.00 0.00 31.44 28.98 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 5.54 1.00 2.88 0.62 0.00 -1.20 -3.94 105.19 110.09 1va8 n GLY 70 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.95 2.04 0.02 1.61 1.01 -1.16 -0.39 116.67 117.86 1va8 s ASP 71 Ca 0.00 -0.25 -0.23 0.00 0.71 0.00 0.00 52.55 52.77 1va8 s ASP 71 Cb 0.00 -0.75 -0.05 0.00 1.01 0.00 0.00 42.92 43.12 1va8 s ASP 71 CO 0.00 -0.13 0.70 -0.70 0.21 0.00 0.00 175.17 175.25 1va8 s GLU 72 N 1.75 4.43 -0.12 8.23 2.12 -1.09 -1.78 118.70 132.24 1va8 s GLU 72 Ca 0.05 0.94 -0.08 0.00 0.36 0.00 0.00 54.97 56.23 1va8 s GLU 72 Cb -0.13 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1va8 s GLU 72 CO -0.07 0.31 0.17 0.08 -0.54 0.00 0.00 175.26 175.21 1va8 s VAL 73 N -0.09 5.44 0.04 3.70 1.01 0.14 -2.03 120.40 128.62 1va8 s VAL 73 Ca 0.36 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1va8 s VAL 73 Cb -0.20 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1va8 s VAL 73 CO 0.21 0.59 0.00 0.18 0.00 0.00 0.00 175.10 176.07 1va8 n LEU 74 N 2.20 0.36 -4.02 3.92 4.77 -0.92 -3.37 117.00 119.93 1va8 n LEU 74 Ca -0.19 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 1va8 n LEU 74 Cb 0.54 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 1va8 n LEU 74 CO 0.33 -0.29 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.10 1va8 s GLU 75 N -2.00 0.46 -0.23 3.23 2.02 -1.21 0.84 118.70 121.81 1va8 s GLU 75 Ca 0.00 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.34 1va8 s GLU 75 Cb 0.00 -0.24 0.08 0.00 0.10 0.00 0.00 34.13 34.07 1va8 s GLU 75 CO 0.00 0.04 0.13 0.42 0.02 0.00 0.00 175.26 175.87 1va8 s ILE 76 N -1.12 -0.12 0.00 -1.63 1.01 0.37 -1.31 121.20 118.40 1va8 s ILE 76 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1va8 s ILE 76 Cb -0.08 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1va8 s ILE 76 CO 0.00 -0.45 0.00 0.59 0.00 0.00 0.00 174.94 175.08 1va8 n ASN 77 N 5.27 -4.34 0.00 3.58 3.02 -0.70 -1.86 115.26 120.23 1va8 n ASN 77 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1va8 n ASN 77 Cb 0.46 -1.99 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 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 -1.02 0.96 3.75 7.41 0.00 -1.26 -4.97 105.19 110.06 1va8 n GLY 78 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.39 3.53 0.83 -0.61 1.09 -0.78 -4.97 121.20 118.89 1va8 s ILE 79 Ca 0.00 1.45 -0.12 0.00 -1.10 0.00 0.00 60.65 60.89 1va8 s ILE 79 Cb 0.00 -3.92 0.09 0.00 -1.06 0.00 0.00 42.46 37.56 1va8 s ILE 79 CO 0.00 0.31 1.10 -0.70 -0.10 0.00 0.00 174.94 175.55 1va8 s GLU 80 N -1.08 1.85 0.00 2.79 2.12 -1.26 0.14 118.70 123.26 1va8 s GLU 80 Ca 0.47 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.44 1va8 s GLU 80 Cb -0.32 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.18 1va8 s GLU 80 CO 0.40 -1.79 0.00 -0.89 -0.54 0.00 0.00 175.26 172.44 1va8 n ILE 81 N -3.54 0.00 -1.57 -3.70 2.08 0.25 -4.73 119.36 108.14 1va8 n ILE 81 Ca 0.07 0.00 -0.64 0.00 0.56 0.00 0.00 62.75 62.74 1va8 n ILE 81 Cb 0.56 -0.52 -0.10 0.00 -0.75 0.00 0.00 39.64 38.83 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 -2.31 0.16 0.00 0.38 0.63 -1.22 0.16 116.66 114.46 1va8 n ARG 82 Ca 0.00 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1va8 n ARG 82 Cb 0.12 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.43 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 5.27 3.10 3.47 5.14 0.00 -0.73 -4.98 105.19 116.47 1va8 n GLY 83 Ca 0.39 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 0.56 -2.02 1.61 5.02 0.42 -4.94 118.16 118.82 1va8 n LYS 84 Ca 0.00 0.21 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 1va8 n LYS 84 Cb 0.00 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 -1.12 6.29 0.20 4.39 -1.08 -1.26 -4.83 116.67 119.25 1va8 s ASP 85 Ca 0.68 1.49 -0.11 0.00 -0.52 0.00 0.00 52.55 54.09 1va8 s ASP 85 Cb -0.47 -2.48 0.24 0.00 -1.46 0.00 0.00 42.92 38.75 1va8 s ASP 85 CO 0.55 -0.83 1.74 -0.37 0.52 0.00 0.00 175.17 176.78 1va8 h VAL 86 N 0.05 0.76 -0.20 1.11 -1.51 -1.93 -0.20 116.25 114.32 1va8 h VAL 86 Ca -0.45 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1va8 h VAL 86 Cb 1.19 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1va8 h VAL 86 CO 0.61 0.06 0.13 0.78 -1.23 0.00 0.00 177.57 177.93 1va8 h ASN 87 N 0.35 0.24 -0.42 4.19 2.35 -1.98 -0.01 115.58 120.30 1va8 h ASN 87 Ca 0.28 -0.01 0.09 0.00 -0.55 0.00 0.00 56.30 56.11 1va8 h ASN 87 Cb 0.36 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.58 1va8 h ASN 87 CO -0.31 0.18 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.13 1va8 h GLU 88 N 0.27 -0.10 0.43 0.81 4.39 -1.56 1.10 114.58 119.93 1va8 h GLU 88 Ca 0.07 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1va8 h GLU 88 Cb -0.02 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1va8 h GLU 88 CO -0.02 -0.07 -0.26 0.28 -1.16 0.00 0.00 179.01 177.79 1va8 h VAL 89 N -0.11 0.46 -0.80 3.13 2.07 -0.74 0.41 116.25 120.68 1va8 h VAL 89 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1va8 h VAL 89 Cb 0.42 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1va8 h VAL 89 CO -0.48 0.00 0.41 -0.26 0.02 0.00 0.00 177.57 177.25 1va8 h PHE 90 N -0.66 0.72 -0.03 1.57 0.04 -0.12 0.31 116.94 118.79 1va8 h PHE 90 Ca -0.05 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 1va8 h PHE 90 Cb 0.53 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1va8 h PHE 90 CO -0.09 0.22 -0.37 0.22 -0.60 0.00 0.00 178.31 177.68 1va8 h ASP 91 N 0.63 0.05 0.13 2.17 3.58 0.17 -1.61 116.42 121.55 1va8 h ASP 91 Ca 0.41 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1va8 h ASP 91 Cb 0.51 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1va8 h ASP 91 CO -0.32 0.43 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.33 1va8 h LEU 92 N 0.05 -0.15 -0.42 2.28 3.38 0.34 -2.18 115.31 118.60 1va8 h LEU 92 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1va8 h LEU 92 Cb 0.69 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1va8 h LEU 92 CO 0.05 -0.08 -0.53 -0.07 0.09 0.00 0.00 178.44 177.90 1va8 h LEU 93 N -0.24 -1.79 -0.95 1.67 -0.00 -1.02 0.34 115.31 113.32 1va8 h LEU 93 Ca -0.02 0.24 0.23 0.00 -0.00 0.00 0.00 57.88 58.33 1va8 h LEU 93 Cb 0.14 0.74 -0.18 0.00 -0.00 0.00 0.00 40.66 41.36 1va8 h LEU 93 CO 0.03 -0.38 -0.08 -0.24 -0.00 0.00 0.00 178.44 177.77 1va8 n SER 94 N -5.23 -0.20 -0.13 -0.43 2.88 -0.61 0.21 113.62 110.11 1va8 n SER 94 Ca -0.03 1.62 -0.10 0.00 -1.33 0.00 0.00 58.87 59.03 1va8 n SER 94 Cb 0.32 -0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 63.21 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 0.58 -4.34 -3.46 1.82 0.09 -3.44 116.42 107.67 1va8 h ASP 95 Ca 0.53 -0.24 -0.49 0.00 -0.39 0.00 0.00 57.03 56.44 1va8 h ASP 95 Cb 0.99 -0.15 0.11 0.00 0.68 0.00 0.00 39.33 40.95 1va8 h ASP 95 CO -0.93 0.67 0.35 -0.04 -1.61 0.00 0.00 179.24 177.69 1va8 s MET 96 N -5.27 2.19 -0.09 0.28 1.00 0.55 -5.08 119.30 112.88 1va8 s MET 96 Ca -0.13 0.56 -0.30 0.00 0.00 0.00 0.00 55.69 55.82 1va8 s MET 96 Cb 0.10 -1.94 0.10 0.00 0.00 0.00 0.00 34.83 33.09 1va8 s MET 96 CO 0.76 -1.53 0.86 -3.38 0.00 0.00 0.00 175.02 171.74 1va8 s HIS 97 N -3.22 -0.48 0.00 -0.03 -3.43 -1.26 -4.83 115.29 102.04 1va8 s HIS 97 Ca 0.60 0.76 0.00 0.00 -0.80 0.00 0.00 55.06 55.63 1va8 s HIS 97 Cb -0.14 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1va8 s HIS 97 CO 0.53 -0.48 0.00 0.41 -2.00 0.00 0.00 174.74 173.21 1va8 n GLY 98 N 0.66 -1.70 3.55 -1.38 0.00 0.69 -4.84 105.19 102.17 1va8 n GLY 98 Ca -0.14 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 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 3.21 -0.11 2.61 2.01 -1.25 -2.52 115.64 119.58 1va8 s THR 99 Ca 0.00 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1va8 s THR 99 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1va8 s THR 99 CO 0.00 -0.53 0.20 -0.76 -0.69 0.00 0.00 174.62 172.85 1va8 s LEU 100 N 10.51 4.36 -0.66 4.42 1.02 0.03 -4.87 118.68 133.50 1va8 s LEU 100 Ca 0.80 0.53 -0.22 0.00 0.02 0.00 0.00 54.13 55.26 1va8 s LEU 100 Cb -0.14 -2.20 0.08 0.00 0.02 0.00 0.00 46.19 43.95 1va8 s LEU 100 CO 0.22 0.33 0.93 -0.89 0.02 0.00 0.00 176.35 176.96 1va8 s THR 101 N -0.66 4.41 -0.30 5.49 2.01 -1.26 -1.64 115.64 123.70 1va8 s THR 101 Ca 0.16 -0.51 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1va8 s THR 101 Cb -0.13 -4.66 -0.00 0.00 0.01 0.00 0.00 72.50 67.72 1va8 s THR 101 CO 0.05 -1.41 0.78 -0.36 -0.69 0.00 0.00 174.62 172.99 1va8 s PHE 102 N 3.80 3.22 -0.61 4.92 0.40 0.15 -1.72 117.98 128.13 1va8 s PHE 102 Ca 0.21 0.84 -0.08 0.00 -0.60 0.00 0.00 56.93 57.30 1va8 s PHE 102 Cb -0.18 -3.18 0.16 0.00 0.51 0.00 0.00 43.02 40.34 1va8 s PHE 102 CO 0.09 -0.54 0.48 0.08 0.70 0.00 0.00 175.22 176.03 1va8 s VAL 103 N 2.92 4.36 0.11 -0.44 1.01 -0.43 -0.20 120.40 127.74 1va8 s VAL 103 Ca 0.32 -2.38 0.03 0.00 0.00 0.00 0.00 61.98 59.95 1va8 s VAL 103 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1va8 s VAL 103 CO 0.12 -0.87 -0.08 -1.48 0.00 0.00 0.00 175.10 172.78 1va8 s LEU 104 N 0.55 2.49 -0.15 3.92 0.05 -0.95 -2.16 118.68 122.43 1va8 s LEU 104 Ca 0.13 -0.96 -0.04 0.00 0.05 0.00 0.00 54.13 53.31 1va8 s LEU 104 Cb -0.20 -0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 43.70 1va8 s LEU 104 CO -0.04 -0.37 -0.01 -0.63 -0.55 0.00 0.00 176.35 174.75 1va8 s ILE 105 N -3.23 4.19 -0.20 1.48 1.01 -0.86 -0.81 121.20 122.78 1va8 s ILE 105 Ca 0.12 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 1va8 s ILE 105 Cb 0.02 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1va8 s ILE 105 CO -0.02 0.51 1.30 -2.16 0.00 0.00 0.00 174.94 174.57 1va8 s PRO 106 N 0.08 4.14 -0.33 2.79 0.04 -1.26 -2.67 135.00 137.80 1va8 s PRO 106 Ca 0.01 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 1va8 s PRO 106 Cb -0.13 -3.81 0.27 0.00 0.04 0.00 0.00 34.50 30.87 1va8 s PRO 106 CO 0.02 -0.83 1.89 0.45 0.04 0.00 0.00 177.00 178.56 1va8 n SER 107 N 6.94 5.80 0.00 6.66 2.88 0.47 -4.72 113.62 131.65 1va8 n SER 107 Ca 0.14 -3.07 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 1va8 n SER 107 Cb 0.45 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 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 0.07 0.00 -0.11 -3.46 2.88 -1.26 -4.96 113.62 106.78 1va8 n SER 108 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1va8 n SER 108 Cb 0.72 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.03 3.62 0.46 0.00 -1.26 -4.25 105.19 101.79 1va8 n GLY 109 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 3.77 0.15 1.61 0.04 -1.25 -5.01 135.00 134.32 1va8 s PRO 110 Ca 0.00 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.24 1va8 s PRO 110 Cb 0.00 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1va8 s PRO 110 CO 0.00 -1.31 0.14 -1.54 0.04 0.00 0.00 177.00 174.33 1va8 s SER 111 N 3.34 5.57 -0.08 6.66 1.04 -1.26 -5.11 113.70 123.85 1va8 s SER 111 Ca 0.59 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 1va8 s SER 111 Cb -0.16 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 1va8 s SER 111 CO 0.27 0.08 0.08 -0.44 0.98 0.00 0.00 173.24 174.22 1va8 s SER 112 N -3.01 5.85 0.00 7.02 0.01 -1.26 -5.28 113.70 117.03 1va8 s SER 112 Ca 0.31 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1va8 s SER 112 Cb -0.10 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1va8 s SER 112 CO 0.23 0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.86