#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 -7.53 -1.29 1.61 7.64 -1.26 -5.00 113.62 107.79 1va8 n SER 2 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1va8 n SER 2 Cb 0.00 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1va8 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1va8 n SER 3 N -0.74 -6.99 0.00 6.43 7.64 -1.26 -5.09 113.62 113.61 1va8 n SER 3 Ca 0.00 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1va8 n SER 3 Cb 0.00 -3.93 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 1va8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va8 n GLY 4 N -2.08 3.53 3.83 0.23 0.00 -1.26 -5.09 105.19 104.36 1va8 n GLY 4 Ca 0.00 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 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 6.89 -0.32 1.61 0.15 -1.26 -5.06 113.70 115.72 1va8 s SER 5 Ca 0.00 1.34 0.01 0.00 0.70 0.00 0.00 55.95 58.00 1va8 s SER 5 Cb 0.00 -2.39 0.14 0.00 -1.71 0.00 0.00 66.02 62.06 1va8 s SER 5 CO 0.00 -0.11 0.32 -0.55 1.20 0.00 0.00 173.24 174.10 1va8 s SER 6 N -2.01 1.54 0.49 5.45 0.15 -1.26 -5.15 113.70 112.92 1va8 s SER 6 Ca 0.49 -1.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 1va8 s SER 6 Cb -0.13 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1va8 s SER 6 CO 0.19 -0.35 0.81 -0.83 1.20 0.00 0.00 173.24 174.26 1va8 s GLY 7 N 2.05 1.56 0.00 9.45 0.00 -1.26 -5.09 107.32 114.03 1va8 s GLY 7 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1va8 s GLY 7 CO -0.23 -0.25 0.00 -1.55 0.00 0.00 0.00 173.10 171.07 1va8 n PRO 8 N -2.23 -0.00 -4.91 2.90 -0.04 -1.26 -5.07 135.00 124.39 1va8 n PRO 8 Ca 0.01 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 1va8 n PRO 8 Cb 0.55 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.67 1.89 0.57 0.52 1.01 -1.26 -5.13 121.20 118.14 1va8 s ILE 9 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 1va8 s ILE 9 Cb 0.00 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1va8 s ILE 9 CO 0.00 0.52 0.93 -0.89 0.00 0.00 0.00 174.94 175.50 1va8 s THR 10 N 0.58 4.50 -0.29 2.92 2.01 -1.26 -5.08 115.64 119.03 1va8 s THR 10 Ca -0.14 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.36 1va8 s THR 10 Cb -0.17 -3.77 0.18 0.00 0.01 0.00 0.00 72.50 68.75 1va8 s THR 10 CO 0.04 -0.88 0.49 -1.81 -0.69 0.00 0.00 174.62 171.76 1va8 s ASP 11 N -4.19 -0.48 -0.28 3.53 1.01 -1.26 -5.00 116.67 110.00 1va8 s ASP 11 Ca 0.52 -0.13 0.10 0.00 0.71 0.00 0.00 52.55 53.75 1va8 s ASP 11 Cb -0.11 1.51 0.50 0.00 1.01 0.00 0.00 42.92 45.83 1va8 s ASP 11 CO 0.49 -0.33 1.45 -1.84 0.21 0.00 0.00 175.17 175.15 1va8 n GLU 12 N 5.38 1.91 -0.00 8.23 0.28 -1.26 -4.40 120.64 130.78 1va8 n GLU 12 Ca 0.02 -3.15 0.02 0.00 -0.16 0.00 0.00 57.16 53.89 1va8 n GLU 12 Cb 0.51 -1.81 -0.03 0.00 1.43 0.00 0.00 31.44 31.54 1va8 n GLU 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1va8 n ARG 13 N -1.08 2.91 -0.75 3.44 5.12 -1.26 -4.50 116.66 120.54 1va8 n ARG 13 Ca 0.31 -0.02 0.04 0.00 -1.93 0.00 0.00 57.85 56.25 1va8 n ARG 13 Cb 1.01 -0.91 0.32 0.00 -1.16 0.00 0.00 32.46 31.71 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1va8 n VAL 14 N -1.38 2.62 0.00 1.55 0.31 -1.26 -5.03 118.33 115.13 1va8 n VAL 14 Ca 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 64.34 62.60 1va8 n VAL 14 Cb 0.10 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 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 -0.10 0.00 0.00 3.52 4.02 -1.26 -4.88 117.16 118.46 1va8 n TYR 15 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 1va8 n TYR 15 Cb 1.12 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.44 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 0.00 3.09 -1.80 -0.72 2.13 -1.26 -4.76 120.64 117.31 1va8 n GLU 16 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1va8 n GLU 16 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1va8 s SER 17 N -1.75 6.04 -0.03 4.31 1.04 -1.26 -4.97 113.70 117.09 1va8 s SER 17 Ca 0.00 2.00 0.06 0.00 0.48 0.00 0.00 55.95 58.48 1va8 s SER 17 Cb 0.00 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1va8 s SER 17 CO 0.00 -1.47 -0.19 -0.63 0.98 0.00 0.00 173.24 171.92 1va8 s ILE 18 N 6.19 2.63 -0.48 -1.02 1.01 -1.26 -5.02 121.20 123.25 1va8 s ILE 18 Ca 0.87 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 60.33 1va8 s ILE 18 Cb -0.33 -2.00 -0.25 0.00 0.01 0.00 0.00 42.46 39.90 1va8 s ILE 18 CO 0.35 0.56 1.80 0.61 0.00 0.00 0.00 174.94 178.25 1va8 n GLY 19 N 2.27 1.59 0.00 6.18 0.00 -1.26 -3.59 105.19 110.38 1va8 n GLY 19 Ca -0.17 -1.07 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 1.57 0.00 0.00 0.00 173.32 174.89 1va8 n HIS 20 N 8.74 0.00 -2.12 1.61 -0.00 -1.25 -4.78 115.22 117.42 1va8 n HIS 20 Ca 0.48 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.90 1va8 n HIS 20 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.35 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 0.00 2.03 -0.18 1.57 1.51 -1.23 -4.35 117.35 116.70 1va8 s TYR 21 Ca 0.00 0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 56.30 1va8 s TYR 21 Cb 0.00 -4.09 0.00 0.00 -0.11 0.00 0.00 41.96 37.77 1va8 s TYR 21 CO 0.00 -1.30 0.02 0.41 -1.11 0.00 0.00 175.55 173.56 1va8 n GLY 22 N 5.84 -2.68 3.98 0.71 0.00 -1.26 -3.81 105.19 107.98 1va8 n GLY 22 Ca 0.45 0.37 -0.39 0.00 0.00 0.00 0.00 46.02 46.45 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 1.06 -1.01 3.78 -0.02 0.00 -1.26 -4.93 105.19 102.80 1va8 n GLY 23 Ca -0.03 0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.38 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 -6.57 1.32 -0.09 1.61 2.02 -1.25 -5.14 118.70 110.60 1va8 s GLU 24 Ca 0.32 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 1va8 s GLU 24 Cb -0.18 0.45 0.02 0.00 0.10 0.00 0.00 34.13 34.53 1va8 s GLU 24 CO 0.95 -0.61 -0.06 0.95 0.02 0.00 0.00 175.26 176.51 1va8 s THR 25 N -3.42 0.86 0.06 3.63 -4.23 -1.26 -3.54 115.64 107.73 1va8 s THR 25 Ca 0.12 -0.21 0.09 0.00 -1.18 0.00 0.00 61.69 60.51 1va8 s THR 25 Cb -0.02 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 1va8 s THR 25 CO 0.03 0.33 -0.25 0.68 -0.54 0.00 0.00 174.62 174.88 1va8 s VAL 26 N 1.57 2.30 -0.42 2.29 -7.23 -1.26 -4.84 120.40 112.81 1va8 s VAL 26 Ca 0.01 -1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 1va8 s VAL 26 Cb -0.13 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.91 1va8 s VAL 26 CO -0.05 0.32 0.30 -0.75 -0.31 0.00 0.00 175.10 174.61 1va8 s LYS 27 N -1.41 2.94 -0.21 4.82 2.20 -0.30 -4.73 119.74 123.05 1va8 s LYS 27 Ca 0.13 -1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 54.41 1va8 s LYS 27 Cb -0.10 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.24 1va8 s LYS 27 CO 0.03 -0.79 0.78 0.42 -0.36 0.00 0.00 175.35 175.43 1va8 s ILE 28 N 1.65 4.89 -0.14 5.43 1.09 -1.26 -2.99 121.20 129.88 1va8 s ILE 28 Ca 0.04 1.49 0.00 0.00 -1.10 0.00 0.00 60.65 61.09 1va8 s ILE 28 Cb -0.20 -4.08 0.03 0.00 -1.06 0.00 0.00 42.46 37.15 1va8 s ILE 28 CO 0.09 0.00 -0.11 0.68 -0.10 0.00 0.00 174.94 175.50 1va8 s VAL 29 N 2.41 1.33 -0.34 2.92 -7.23 -0.08 -4.96 120.40 114.46 1va8 s VAL 29 Ca 0.34 -0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.84 1va8 s VAL 29 Cb -0.16 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 1va8 s VAL 29 CO 0.10 0.39 0.42 -0.13 -0.31 0.00 0.00 175.10 175.57 1va8 s ARG 30 N 1.58 3.63 -0.05 4.82 0.52 -1.26 -0.22 118.95 127.97 1va8 s ARG 30 Ca 0.04 -0.27 0.04 0.00 -0.52 0.00 0.00 55.73 55.02 1va8 s ARG 30 Cb -0.13 -3.79 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 1va8 s ARG 30 CO -0.09 -0.54 -0.16 0.42 0.02 0.00 0.00 175.30 174.94 1va8 s ILE 31 N 2.17 2.86 -0.17 1.52 1.01 0.24 -4.85 121.20 123.97 1va8 s ILE 31 Ca 0.15 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 1va8 s ILE 31 Cb -0.16 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1va8 s ILE 31 CO 0.12 0.58 0.13 -1.83 0.00 0.00 0.00 174.94 173.94 1va8 s GLU 32 N -0.56 3.93 0.03 2.79 -1.05 -1.25 0.18 118.70 122.76 1va8 s GLU 32 Ca 0.08 -0.19 0.03 0.00 -0.15 0.00 0.00 54.97 54.73 1va8 s GLU 32 Cb -0.11 -3.34 -0.02 0.00 -0.44 0.00 0.00 34.13 30.22 1va8 s GLU 32 CO 0.01 0.46 -0.09 0.15 0.95 0.00 0.00 175.26 176.74 1va8 s LYS 33 N -0.10 0.63 0.92 -4.83 1.02 -0.37 -4.86 119.74 112.14 1va8 s LYS 33 Ca 0.10 -0.62 -0.13 0.00 0.02 0.00 0.00 55.97 55.34 1va8 s LYS 33 Cb -0.11 -0.52 0.15 0.00 -0.52 0.00 0.00 37.83 36.82 1va8 s LYS 33 CO 0.00 0.12 1.16 0.00 -0.92 0.00 0.00 175.35 175.72 1va8 s ALA 34 N -0.91 1.87 -0.02 5.17 0.00 -1.26 0.22 121.76 126.82 1va8 s ALA 34 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1va8 s ALA 34 Cb -0.07 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1va8 s ALA 34 CO 0.01 -2.31 1.06 -2.13 0.00 0.00 0.00 175.76 172.38 1va8 n ARG 35 N -3.78 1.07 -1.16 0.00 0.63 -1.26 -3.10 116.66 109.05 1va8 n ARG 35 Ca 0.08 -0.16 -0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1va8 n ARG 35 Cb 0.60 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.45 1va8 n ARG 35 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1va8 n ASP 36 N 0.42 -0.03 -4.27 6.15 5.75 -1.26 -5.11 116.55 118.20 1va8 n ASP 36 Ca 0.03 -0.67 -0.33 0.00 -0.01 0.00 0.00 54.79 53.81 1va8 n ASP 36 Cb 0.56 0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 40.51 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 2.55 0.28 2.12 -1.09 -1.18 -5.11 121.20 118.78 1va8 s ILE 37 Ca 0.00 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.31 1va8 s ILE 37 Cb 0.01 -2.05 -0.09 0.00 -1.58 0.00 0.00 42.46 38.74 1va8 s ILE 37 CO -0.00 0.53 1.08 -2.16 -1.23 0.00 0.00 174.94 173.16 1va8 s PRO 38 N 0.62 4.65 0.48 2.79 0.04 -1.26 -4.73 135.00 137.59 1va8 s PRO 38 Ca -0.09 1.76 0.14 0.00 0.04 0.00 0.00 61.00 62.84 1va8 s PRO 38 Cb -0.16 -3.17 1.14 0.00 0.04 0.00 0.00 34.50 32.34 1va8 s PRO 38 CO 0.03 0.23 2.09 1.25 0.04 0.00 0.00 177.00 180.64 1va8 h LEU 39 N 3.80 0.18 -0.95 -3.56 5.85 -1.97 -3.10 115.31 115.56 1va8 h LEU 39 Ca -0.47 -0.00 -0.46 0.00 0.84 0.00 0.00 57.88 57.79 1va8 h LEU 39 Cb 1.21 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.20 1va8 h LEU 39 CO 0.67 0.12 -0.74 0.61 -0.34 0.00 0.00 178.44 178.76 1va8 n GLY 40 N -1.53 -0.51 2.94 3.75 0.00 -1.26 -2.03 105.19 106.55 1va8 n GLY 40 Ca 0.01 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.30 -0.35 0.35 4.61 0.00 -1.26 -0.05 121.76 121.75 1va8 s ALA 41 Ca 0.65 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 1va8 s ALA 41 Cb -0.32 -0.72 -0.08 0.00 0.00 0.00 0.00 23.12 22.00 1va8 s ALA 41 CO 0.81 -0.39 0.76 0.99 0.00 0.00 0.00 175.76 177.92 1va8 s THR 42 N 1.80 4.69 -0.02 0.00 2.01 0.32 -4.93 115.64 119.50 1va8 s THR 42 Ca -0.03 0.90 -0.04 0.00 0.31 0.00 0.00 61.69 62.82 1va8 s THR 42 Cb -0.12 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1va8 s THR 42 CO -0.07 -0.28 0.10 0.68 -0.69 0.00 0.00 174.62 174.36 1va8 s VAL 43 N -2.10 0.03 0.16 3.82 -7.23 -1.26 -1.37 120.40 112.45 1va8 s VAL 43 Ca 0.54 -0.28 0.05 0.00 -1.81 0.00 0.00 61.98 60.48 1va8 s VAL 43 Cb -0.10 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1va8 s VAL 43 CO 0.21 -0.15 0.13 0.00 -0.31 0.00 0.00 175.10 174.98 1va8 s ARG 44 N -0.47 2.88 -0.29 4.82 1.70 0.27 -4.68 118.95 123.19 1va8 s ARG 44 Ca -0.06 -0.87 -0.16 0.00 -0.47 0.00 0.00 55.73 54.17 1va8 s ARG 44 Cb -0.04 -2.64 -0.03 0.00 -0.57 0.00 0.00 34.95 31.68 1va8 s ARG 44 CO 0.00 0.49 0.43 1.21 -1.08 0.00 0.00 175.30 176.35 1va8 s ASN 45 N -3.07 6.30 0.33 -2.89 3.04 -1.26 -2.06 114.94 115.33 1va8 s ASN 45 Ca 0.31 0.24 0.06 0.00 0.04 0.00 0.00 52.86 53.52 1va8 s ASN 45 Cb -0.10 -2.24 -0.01 0.00 -1.54 0.00 0.00 41.25 37.36 1va8 s ASN 45 CO 0.23 -0.27 0.47 -1.61 -3.04 0.00 0.00 177.10 172.88 1va8 s GLU 46 N 2.18 3.14 0.00 0.43 0.41 0.30 -4.96 118.70 120.19 1va8 s GLU 46 Ca 0.17 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1va8 s GLU 46 Cb -0.16 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1va8 s GLU 46 CO 0.10 0.08 0.00 -1.33 -0.49 0.00 0.00 175.26 173.62 1va8 n MET 47 N -1.64 0.00 -0.67 1.61 2.81 -1.26 -2.16 117.12 115.81 1va8 n MET 47 Ca -0.01 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1va8 n MET 47 Cb 0.58 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.08 1va8 n MET 47 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1va8 n ASP 48 N -3.87 -0.06 -4.16 7.83 8.00 -1.26 -5.03 116.55 117.99 1va8 n ASP 48 Ca 0.00 -1.53 -0.15 0.00 0.71 0.00 0.00 54.79 53.82 1va8 n ASP 48 Cb 0.00 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.44 -0.41 -2.24 0.01 -0.92 -1.43 113.70 109.52 1va8 s SER 49 Ca 0.03 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.46 1va8 s SER 49 Cb 0.04 -0.00 0.08 0.00 0.21 0.00 0.00 66.02 66.34 1va8 s SER 49 CO -0.02 -0.22 0.25 -0.69 0.41 0.00 0.00 173.24 172.97 1va8 s VAL 50 N -2.10 4.12 0.16 3.43 1.01 -1.26 0.11 120.40 125.86 1va8 s VAL 50 Ca 0.02 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.62 1va8 s VAL 50 Cb -0.05 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1va8 s VAL 50 CO 0.01 -0.51 0.06 -0.63 0.00 0.00 0.00 175.10 174.03 1va8 s ILE 51 N 1.40 4.13 0.51 2.22 1.09 -0.87 0.80 121.20 130.48 1va8 s ILE 51 Ca 0.03 -1.19 -0.21 0.00 -1.10 0.00 0.00 60.65 58.18 1va8 s ILE 51 Cb -0.23 -3.08 -0.06 0.00 -1.06 0.00 0.00 42.46 38.03 1va8 s ILE 51 CO 0.01 -0.07 1.19 -0.63 -0.10 0.00 0.00 174.94 175.34 1va8 s ILE 52 N -1.68 2.91 -0.06 2.92 -1.09 -0.10 0.98 121.20 125.08 1va8 s ILE 52 Ca 0.29 0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 59.32 1va8 s ILE 52 Cb -0.10 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 1va8 s ILE 52 CO 0.21 -0.05 -0.07 -0.24 -1.23 0.00 0.00 174.94 173.55 1va8 n SER 53 N -0.91 0.91 -3.83 3.58 2.88 -0.47 -3.48 113.62 112.29 1va8 n SER 53 Ca 0.10 0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.60 1va8 n SER 53 Cb 0.48 -0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 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 -2.11 1.11 -0.16 -1.46 3.52 -1.07 -4.93 118.95 113.85 1va8 s ARG 54 Ca -0.08 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.55 1va8 s ARG 54 Cb 0.03 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.86 1va8 s ARG 54 CO 0.11 -0.41 -0.14 0.42 -0.81 0.00 0.00 175.30 174.47 1va8 s ILE 55 N -3.89 1.62 0.32 4.11 -1.09 -1.26 0.12 121.20 121.13 1va8 s ILE 55 Ca 0.10 -0.74 -0.17 0.00 -2.23 0.00 0.00 60.65 57.61 1va8 s ILE 55 Cb 0.03 -1.55 -0.09 0.00 -1.58 0.00 0.00 42.46 39.26 1va8 s ILE 55 CO -0.06 0.40 0.77 -0.69 -1.23 0.00 0.00 174.94 174.14 1va8 s VAL 56 N 1.45 4.60 0.45 2.92 1.01 0.92 -4.94 120.40 126.81 1va8 s VAL 56 Ca 0.04 1.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 1va8 s VAL 56 Cb -0.14 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1va8 s VAL 56 CO -0.10 -0.14 0.94 -0.75 0.00 0.00 0.00 175.10 175.05 1va8 s LYS 57 N -2.83 4.12 0.00 2.72 2.20 -1.26 -3.35 119.74 121.33 1va8 s LYS 57 Ca 0.54 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1va8 s LYS 57 Cb -0.11 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1va8 s LYS 57 CO 0.17 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1va8 n GLY 58 N -0.92 0.55 3.85 5.54 0.00 -1.26 -4.99 105.19 107.97 1va8 n GLY 58 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 2.30 0.20 -0.02 0.00 -1.21 -4.87 107.32 101.71 1va8 s GLY 59 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.70 1va8 s GLY 59 CO 0.00 0.29 1.75 0.00 0.00 0.00 0.00 173.10 175.14 1va8 h ALA 60 N 2.07 0.76 0.33 3.20 0.00 -1.39 0.89 119.26 125.12 1va8 h ALA 60 Ca -0.48 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1va8 h ALA 60 Cb 1.18 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1va8 h ALA 60 CO 0.64 -0.18 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 1va8 h ALA 61 N 1.40 -1.05 -0.03 0.00 0.00 -1.70 -1.15 119.26 116.72 1va8 h ALA 61 Ca 0.29 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1va8 h ALA 61 Cb 0.34 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1va8 h ALA 61 CO -0.29 -1.11 -0.15 1.49 0.00 0.00 0.00 179.25 179.19 1va8 h GLU 62 N -0.81 -0.23 0.00 0.00 4.81 -1.65 0.50 114.58 117.20 1va8 h GLU 62 Ca -0.04 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1va8 h GLU 62 Cb 0.73 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1va8 h GLU 62 CO -0.12 -0.15 0.00 1.63 -0.73 0.00 0.00 179.01 179.64 1va8 n LYS 63 N -5.29 0.00 -0.32 1.92 4.76 0.30 0.09 118.16 119.63 1va8 n LYS 63 Ca -0.05 0.92 0.04 0.00 -2.87 0.00 0.00 58.31 56.35 1va8 n LYS 63 Cb 0.21 -1.40 0.23 0.00 -1.84 0.00 0.00 35.03 32.22 1va8 n LYS 63 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1va8 h SER 64 N 0.00 0.94 -2.32 4.39 4.64 -1.11 -3.46 113.55 116.63 1va8 h SER 64 Ca 0.00 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1va8 h SER 64 Cb 0.00 -0.19 0.04 0.00 -0.31 0.00 0.00 62.40 61.94 1va8 h SER 64 CO 0.00 0.60 -0.18 0.61 -0.87 0.00 0.00 176.83 176.99 1va8 n GLY 65 N -1.39 0.54 0.00 -0.77 0.00 0.18 -4.94 105.19 98.81 1va8 n GLY 65 Ca 0.14 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.70 0.42 -4.64 0.99 4.77 -1.19 -4.91 117.00 110.74 1va8 n LEU 66 Ca -0.00 -0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.36 1va8 n LEU 66 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1va8 n LEU 66 CO 0.17 0.10 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.32 1va8 s LEU 67 N -3.43 3.82 -0.01 2.23 2.01 -1.26 -4.99 118.68 117.05 1va8 s LEU 67 Ca 0.00 0.09 0.03 0.00 0.01 0.00 0.00 54.13 54.26 1va8 s LEU 67 Cb 0.12 -1.96 -0.00 0.00 0.01 0.00 0.00 46.19 44.35 1va8 s LEU 67 CO 0.69 0.18 -0.08 -1.00 1.01 0.00 0.00 176.35 177.15 1va8 s HIS 68 N 0.34 0.83 -0.01 0.29 3.76 -1.26 -4.80 115.29 114.43 1va8 s HIS 68 Ca 0.03 -0.18 -0.36 0.00 -0.15 0.00 0.00 55.06 54.40 1va8 s HIS 68 Cb -0.12 -0.56 -0.15 0.00 1.11 0.00 0.00 32.58 32.85 1va8 s HIS 68 CO 0.00 -0.05 1.60 0.39 -0.85 0.00 0.00 174.74 175.83 1va8 n GLU 69 N 3.07 1.59 0.00 1.40 1.02 -1.26 -1.22 120.64 125.24 1va8 n GLU 69 Ca -0.16 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1va8 n GLU 69 Cb 0.56 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 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 3.49 0.74 3.70 0.62 0.00 -1.23 -4.28 105.19 108.24 1va8 n GLY 70 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.08 7.10 -0.16 1.61 1.01 -0.36 -3.66 116.67 120.14 1va8 s ASP 71 Ca 0.00 1.33 -0.15 0.00 0.71 0.00 0.00 52.55 54.45 1va8 s ASP 71 Cb 0.00 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1va8 s ASP 71 CO 0.00 -0.23 0.33 -0.70 0.21 0.00 0.00 175.17 174.78 1va8 s GLU 72 N 1.18 4.26 -0.09 8.23 2.12 -1.14 -0.92 118.70 132.34 1va8 s GLU 72 Ca 0.42 0.15 -0.18 0.00 0.36 0.00 0.00 54.97 55.73 1va8 s GLU 72 Cb -0.18 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1va8 s GLU 72 CO 0.20 0.19 0.47 0.08 -0.54 0.00 0.00 175.26 175.66 1va8 s VAL 73 N 0.59 5.14 0.00 3.70 1.01 0.24 -2.41 120.40 128.66 1va8 s VAL 73 Ca 0.18 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1va8 s VAL 73 Cb -0.13 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1va8 s VAL 73 CO 0.05 0.38 0.00 0.18 0.00 0.00 0.00 175.10 175.71 1va8 n LEU 74 N 3.26 0.82 -3.85 3.92 4.77 -0.65 -3.64 117.00 121.63 1va8 n LEU 74 Ca -0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 1va8 n LEU 74 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1va8 n LEU 74 CO 0.42 0.10 -0.25 -1.61 -1.33 0.00 0.00 177.39 174.72 1va8 s GLU 75 N -1.97 0.19 -0.28 3.23 2.02 -1.08 0.13 118.70 120.95 1va8 s GLU 75 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 1va8 s GLU 75 Cb 0.00 0.08 0.09 0.00 0.10 0.00 0.00 34.13 34.41 1va8 s GLU 75 CO 0.00 -0.03 0.10 0.42 0.02 0.00 0.00 175.26 175.77 1va8 s ILE 76 N -0.27 0.44 0.00 -1.63 1.01 -0.54 0.13 121.20 120.33 1va8 s ILE 76 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1va8 s ILE 76 Cb -0.02 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1va8 s ILE 76 CO 0.00 -0.60 0.00 -3.20 0.00 0.00 0.00 174.94 171.14 1va8 n ASN 77 N 5.04 0.00 0.00 3.58 2.85 0.37 -3.21 115.26 123.90 1va8 n ASN 77 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1va8 n ASN 77 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 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 0.00 0.27 3.80 8.20 0.00 -1.26 -4.87 105.19 111.32 1va8 n GLY 78 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.77 0.37 -0.61 1.09 -1.20 -5.00 121.20 119.62 1va8 s ILE 79 Ca 0.00 1.09 -0.21 0.00 -1.10 0.00 0.00 60.65 60.44 1va8 s ILE 79 Cb 0.00 -3.44 -0.10 0.00 -1.06 0.00 0.00 42.46 37.86 1va8 s ILE 79 CO 0.00 -0.25 0.88 -0.70 -0.10 0.00 0.00 174.94 174.77 1va8 s GLU 80 N -3.27 4.25 -0.02 2.79 2.12 -1.26 -1.46 118.70 121.85 1va8 s GLU 80 Ca 0.67 1.04 -0.00 0.00 0.36 0.00 0.00 54.97 57.04 1va8 s GLU 80 Cb -0.16 -2.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 1va8 s GLU 80 CO 0.21 0.11 -0.02 -0.89 -0.54 0.00 0.00 175.26 174.12 1va8 n ILE 81 N -0.22 0.14 -1.47 -3.70 2.08 0.36 -4.83 119.36 111.71 1va8 n ILE 81 Ca 0.04 -0.05 -0.47 0.00 0.56 0.00 0.00 62.75 62.83 1va8 n ILE 81 Cb 0.53 -0.72 -0.07 0.00 -0.75 0.00 0.00 39.64 38.62 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 -2.65 0.97 0.00 0.38 0.63 -1.20 0.17 116.66 114.97 1va8 n ARG 82 Ca -0.04 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1va8 n ARG 82 Cb 0.54 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.94 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 6.46 1.75 3.81 5.14 0.00 -0.52 -4.96 105.19 116.87 1va8 n GLY 83 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 1va8 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va8 s LYS 84 N -0.49 3.14 0.15 1.61 1.02 0.46 -5.01 119.74 120.62 1va8 s LYS 84 Ca 0.00 1.07 -0.28 0.00 0.02 0.00 0.00 55.97 56.78 1va8 s LYS 84 Cb 0.00 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 35.22 1va8 s LYS 84 CO 0.00 -0.94 0.89 0.34 -0.92 0.00 0.00 175.35 174.72 1va8 s ASP 85 N -3.30 7.49 0.31 2.83 2.15 -1.26 -4.83 116.67 120.06 1va8 s ASP 85 Ca 0.61 1.77 0.04 0.00 0.43 0.00 0.00 52.55 55.40 1va8 s ASP 85 Cb -0.15 -2.56 0.83 0.00 -0.30 0.00 0.00 42.92 40.74 1va8 s ASP 85 CO 0.46 0.07 1.58 1.62 -0.17 0.00 0.00 175.17 178.73 1va8 h VAL 86 N 3.63 0.06 -0.35 1.11 3.04 -1.94 1.54 116.25 123.35 1va8 h VAL 86 Ca -0.44 -0.01 -0.05 0.00 -1.01 0.00 0.00 66.70 65.18 1va8 h VAL 86 Cb 1.21 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1va8 h VAL 86 CO 0.69 0.01 0.01 -1.13 -1.01 0.00 0.00 177.57 176.14 1va8 h ASN 87 N 0.04 0.60 -0.52 3.17 -0.73 -1.95 -2.70 115.58 113.49 1va8 h ASN 87 Ca 0.63 -0.30 0.10 0.00 1.87 0.00 0.00 56.30 58.60 1va8 h ASN 87 Cb 1.36 -0.16 -0.10 0.00 0.27 0.00 0.00 38.32 39.68 1va8 h ASN 87 CO -0.86 0.75 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.46 1va8 h GLU 88 N 0.43 -0.04 -0.10 6.67 5.08 0.17 0.59 114.58 127.38 1va8 h GLU 88 Ca 0.10 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1va8 h GLU 88 Cb 0.44 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1va8 h GLU 88 CO 0.02 -0.02 -0.15 0.28 -1.00 0.00 0.00 179.01 178.13 1va8 h VAL 89 N -0.04 0.60 -0.78 3.13 2.07 -0.88 0.21 116.25 120.56 1va8 h VAL 89 Ca 0.25 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.83 1va8 h VAL 89 Cb 0.42 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1va8 h VAL 89 CO -0.56 0.00 0.51 -0.26 0.02 0.00 0.00 177.57 177.29 1va8 h PHE 90 N -0.20 0.87 0.00 1.57 0.04 -0.75 0.21 116.94 118.67 1va8 h PHE 90 Ca 0.08 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 1va8 h PHE 90 Cb 0.32 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1va8 h PHE 90 CO -0.26 0.47 -0.26 0.22 -0.60 0.00 0.00 178.31 177.89 1va8 h ASP 91 N 0.87 0.00 0.13 2.17 3.58 0.15 -2.14 116.42 121.18 1va8 h ASP 91 Ca 0.33 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1va8 h ASP 91 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1va8 h ASP 91 CO -0.11 0.26 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.38 1va8 h LEU 92 N 0.00 -0.15 -0.58 2.28 3.38 0.24 -3.04 115.31 117.44 1va8 h LEU 92 Ca -0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1va8 h LEU 92 Cb 0.69 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1va8 h LEU 92 CO 0.03 0.08 -0.54 -0.07 0.09 0.00 0.00 178.44 178.03 1va8 h LEU 93 N -0.54 -1.88 -0.90 1.67 -0.00 -1.15 0.33 115.31 112.84 1va8 h LEU 93 Ca -0.02 0.26 0.13 0.00 -0.00 0.00 0.00 57.88 58.25 1va8 h LEU 93 Cb 0.13 0.79 -0.14 0.00 -0.00 0.00 0.00 40.66 41.45 1va8 h LEU 93 CO 0.03 -0.33 -0.40 -0.24 -0.00 0.00 0.00 178.44 177.50 1va8 n SER 94 N -5.22 -0.68 -0.26 -0.43 2.88 -0.80 0.20 113.62 109.31 1va8 n SER 94 Ca -0.02 1.59 -0.03 0.00 -1.33 0.00 0.00 58.87 59.08 1va8 n SER 94 Cb 0.30 -0.32 0.08 0.00 -0.75 0.00 0.00 64.21 63.52 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 0.77 -4.32 -3.46 1.82 -0.73 -3.43 116.42 107.08 1va8 h ASP 95 Ca 0.27 -0.01 -0.51 0.00 -0.39 0.00 0.00 57.03 56.40 1va8 h ASP 95 Cb 0.50 -0.17 0.11 0.00 0.68 0.00 0.00 39.33 40.44 1va8 h ASP 95 CO -0.89 0.54 0.35 -0.04 -1.61 0.00 0.00 179.24 177.59 1va8 s MET 96 N -6.12 2.61 -0.07 0.28 -1.94 0.55 -5.07 119.30 109.54 1va8 s MET 96 Ca -0.13 0.97 -0.31 0.00 -1.71 0.00 0.00 55.69 54.52 1va8 s MET 96 Cb 0.15 -1.95 0.08 0.00 2.01 0.00 0.00 34.83 35.12 1va8 s MET 96 CO 0.77 -1.34 0.73 -3.38 -0.01 0.00 0.00 175.02 171.80 1va8 s HIS 97 N -3.01 -0.61 0.00 -0.03 -3.43 -1.26 -4.84 115.29 102.10 1va8 s HIS 97 Ca 0.59 1.04 0.00 0.00 -0.80 0.00 0.00 55.06 55.89 1va8 s HIS 97 Cb -0.15 0.42 0.00 0.00 -1.43 0.00 0.00 32.58 31.42 1va8 s HIS 97 CO 0.55 -0.57 0.00 0.41 -2.00 0.00 0.00 174.74 173.13 1va8 n GLY 98 N 0.87 -1.83 3.55 -1.38 0.00 0.59 -4.81 105.19 102.19 1va8 n GLY 98 Ca -0.18 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 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 3.40 -0.07 2.61 2.01 -1.24 -1.24 115.64 121.10 1va8 s THR 99 Ca 0.00 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 1va8 s THR 99 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1va8 s THR 99 CO 0.00 -0.96 0.33 -0.76 -0.69 0.00 0.00 174.62 172.53 1va8 s LEU 100 N 9.17 4.39 -0.51 4.42 1.02 0.47 -4.81 118.68 132.83 1va8 s LEU 100 Ca 0.67 0.74 -0.22 0.00 0.02 0.00 0.00 54.13 55.34 1va8 s LEU 100 Cb -0.11 -2.43 0.05 0.00 0.02 0.00 0.00 46.19 43.72 1va8 s LEU 100 CO 0.15 0.27 0.76 -0.89 0.02 0.00 0.00 176.35 176.67 1va8 s THR 101 N -0.61 4.66 -0.27 5.49 2.01 -1.26 -0.59 115.64 125.06 1va8 s THR 101 Ca 0.20 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 1va8 s THR 101 Cb -0.15 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 1va8 s THR 101 CO 0.09 -0.90 0.49 -0.36 -0.69 0.00 0.00 174.62 173.25 1va8 s PHE 102 N 3.22 3.25 -0.63 4.92 0.40 0.70 0.14 117.98 129.98 1va8 s PHE 102 Ca 0.23 0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 56.99 1va8 s PHE 102 Cb -0.15 -2.73 0.16 0.00 0.51 0.00 0.00 43.02 40.81 1va8 s PHE 102 CO 0.16 -0.31 0.53 0.08 0.70 0.00 0.00 175.22 176.38 1va8 s VAL 103 N 2.29 4.73 0.09 -0.44 1.01 0.34 -0.90 120.40 127.51 1va8 s VAL 103 Ca 0.20 -2.20 0.01 0.00 0.00 0.00 0.00 61.98 59.99 1va8 s VAL 103 Cb -0.16 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1va8 s VAL 103 CO 0.10 -0.89 -0.06 -1.48 0.00 0.00 0.00 175.10 172.77 1va8 s LEU 104 N 0.72 2.50 -0.15 3.92 0.05 -1.16 -1.63 118.68 122.93 1va8 s LEU 104 Ca 0.12 -1.00 -0.04 0.00 0.05 0.00 0.00 54.13 53.26 1va8 s LEU 104 Cb -0.20 -0.01 -0.03 0.00 -2.05 0.00 0.00 46.19 43.90 1va8 s LEU 104 CO -0.03 -0.49 -0.04 -0.63 -0.55 0.00 0.00 176.35 174.61 1va8 s ILE 105 N -3.68 3.91 -0.17 1.48 1.01 -1.01 -1.15 121.20 121.59 1va8 s ILE 105 Ca 0.11 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 1va8 s ILE 105 Cb 0.06 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1va8 s ILE 105 CO -0.06 0.50 1.28 -2.16 0.00 0.00 0.00 174.94 174.49 1va8 s PRO 106 N 0.33 4.22 -0.75 2.79 0.04 -1.26 -2.87 135.00 137.50 1va8 s PRO 106 Ca -0.04 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 1va8 s PRO 106 Cb -0.14 -3.78 -0.17 0.00 0.04 0.00 0.00 34.50 30.45 1va8 s PRO 106 CO 0.03 -0.73 3.17 0.45 0.04 0.00 0.00 177.00 179.96 1va8 n SER 107 N 6.67 6.57 -2.45 6.66 2.88 -1.24 -4.60 113.62 128.12 1va8 n SER 107 Ca 0.14 -2.48 -0.00 0.00 -1.33 0.00 0.00 58.87 55.20 1va8 n SER 107 Cb 0.45 -1.42 -0.00 0.00 -0.75 0.00 0.00 64.21 62.49 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 3.08 -0.97 -3.10 -3.46 2.88 -1.26 -2.49 113.62 108.29 1va8 n SER 108 Ca 0.57 0.48 -0.02 0.00 -1.33 0.00 0.00 58.87 58.57 1va8 n SER 108 Cb 0.55 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 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 -0.48 -0.95 3.66 0.46 0.00 -1.26 -4.82 105.19 101.79 1va8 n GLY 109 Ca -0.00 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.25 4.22 0.00 1.61 0.04 -1.04 -5.00 135.00 133.59 1va8 s PRO 110 Ca 0.03 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1va8 s PRO 110 Cb -0.00 -3.78 -0.00 0.00 0.04 0.00 0.00 34.50 30.76 1va8 s PRO 110 CO 0.23 -0.72 0.09 0.45 0.04 0.00 0.00 177.00 177.09 1va8 s SER 111 N 2.04 0.07 -0.19 6.66 0.15 -1.26 -4.97 113.70 116.20 1va8 s SER 111 Ca 0.55 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.91 1va8 s SER 111 Cb -0.22 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1va8 s SER 111 CO 0.15 -0.32 0.00 -0.44 1.20 0.00 0.00 173.24 173.83 1va8 s SER 112 N -1.28 4.94 0.00 5.45 0.01 -1.26 -5.28 113.70 116.29 1va8 s SER 112 Ca -0.14 -0.15 0.29 0.00 1.31 0.00 0.00 55.95 57.26 1va8 s SER 112 Cb -0.08 -1.84 1.21 0.00 0.21 0.00 0.00 66.02 65.52 1va8 s SER 112 CO 0.01 0.10 1.83 0.61 0.41 0.00 0.00 173.24 176.20