#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va9 s SER 2 N 0.00 5.56 -0.24 1.61 0.15 -1.26 -4.89 113.70 114.62 1va9 s SER 2 Ca 0.00 1.66 -0.27 0.00 0.70 0.00 0.00 55.95 58.04 1va9 s SER 2 Cb 0.00 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 61.93 1va9 s SER 2 CO 0.00 -1.92 1.07 -0.55 1.20 0.00 0.00 173.24 173.04 1va9 s SER 3 N 7.72 -0.37 -0.53 5.45 0.15 -1.26 -5.09 113.70 119.77 1va9 s SER 3 Ca 0.93 0.61 0.07 0.00 0.70 0.00 0.00 55.95 58.27 1va9 s SER 3 Cb -0.29 0.58 0.29 0.00 -1.71 0.00 0.00 66.02 64.90 1va9 s SER 3 CO 0.34 -0.20 0.75 0.61 1.20 0.00 0.00 173.24 175.95 1va9 n GLY 4 N 1.60 4.46 3.21 9.45 0.00 -1.26 -5.00 105.19 117.65 1va9 n GLY 4 Ca -0.11 -2.37 0.04 0.00 0.00 0.00 0.00 46.02 43.58 1va9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1va9 s SER 5 N -2.49 -0.25 0.05 1.61 0.15 -1.26 -5.18 113.70 106.33 1va9 s SER 5 Ca 0.41 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 57.31 1va9 s SER 5 Cb 0.22 1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 65.74 1va9 s SER 5 CO -0.08 -0.05 -0.02 -0.94 1.20 0.00 0.00 173.24 173.36 1va9 s SER 6 N 2.52 0.43 0.00 5.45 1.04 -1.26 -5.14 113.70 116.73 1va9 s SER 6 Ca -0.03 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1va9 s SER 6 Cb -0.05 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1va9 s SER 6 CO -0.13 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1va9 n GLY 7 N 0.36 2.89 3.62 7.32 0.00 -1.26 -5.10 105.19 113.02 1va9 n GLY 7 Ca -0.16 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1va9 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va9 s ILE 8 N 0.58 3.97 -0.46 -0.61 1.01 -1.26 -4.88 121.20 119.55 1va9 s ILE 8 Ca 0.00 1.05 0.03 0.00 0.00 0.00 0.00 60.65 61.74 1va9 s ILE 8 Cb 0.00 -4.10 0.44 0.00 0.01 0.00 0.00 42.46 38.82 1va9 s ILE 8 CO 0.00 -0.55 1.50 -1.20 0.00 0.00 0.00 174.94 174.69 1va9 n SER 9 N 8.27 5.96 -0.66 3.58 7.64 -1.26 -4.98 113.62 132.16 1va9 n SER 9 Ca 0.16 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1va9 n SER 9 Cb 0.47 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1va9 n SER 9 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1va9 n THR 10 N -0.74 0.00 -3.47 0.44 -1.04 -1.26 -5.14 114.28 103.07 1va9 n THR 10 Ca 0.50 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.54 1va9 n THR 10 Cb 0.79 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.24 1va9 n THR 10 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1va9 s GLU 11 N 2.29 0.05 0.67 -2.82 -1.05 -1.26 -5.17 118.70 111.40 1va9 s GLU 11 Ca 0.00 0.10 -0.11 0.00 -0.15 0.00 0.00 54.97 54.81 1va9 s GLU 11 Cb 0.00 0.03 0.16 0.00 -0.44 0.00 0.00 34.13 33.89 1va9 s GLU 11 CO 0.00 -0.01 0.37 0.39 0.95 0.00 0.00 175.26 176.96 1va9 n GLU 12 N 3.67 -2.69 -4.19 -4.83 -0.58 -1.26 -5.05 120.64 105.72 1va9 n GLU 12 Ca -0.13 -0.62 -0.14 0.00 -0.42 0.00 0.00 57.16 55.85 1va9 n GLU 12 Cb 0.56 -0.88 -0.11 0.00 -0.57 0.00 0.00 31.44 30.44 1va9 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1va9 s ALA 13 N -2.05 1.15 1.02 0.62 0.00 -1.24 -4.83 121.76 116.44 1va9 s ALA 13 Ca 0.29 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 1va9 s ALA 13 Cb -0.05 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1va9 s ALA 13 CO 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 175.76 175.94 1va9 n ALA 14 N 0.43 -3.72 -2.28 0.00 0.00 -1.26 -4.63 120.51 109.05 1va9 n ALA 14 Ca -0.15 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 51.94 1va9 n ALA 14 Cb 0.58 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1va9 n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1va9 s PRO 15 N -3.28 4.51 -0.62 0.00 0.04 -1.26 -4.74 135.00 129.65 1va9 s PRO 15 Ca 0.53 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 1va9 s PRO 15 Cb -0.15 -3.32 0.45 0.00 0.04 0.00 0.00 34.50 31.52 1va9 s PRO 15 CO 0.68 -0.10 1.91 -0.25 0.04 0.00 0.00 177.00 179.29 1va9 n ASP 16 N 3.20 7.30 -3.64 6.66 8.00 -0.84 -3.79 116.55 133.43 1va9 n ASP 16 Ca 0.06 -3.79 -0.07 0.00 0.71 0.00 0.00 54.79 51.70 1va9 n ASP 16 Cb 0.47 -0.89 -0.07 0.00 -0.02 0.00 0.00 41.12 40.61 1va9 n ASP 16 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1va9 s GLY 17 N -2.07 -0.13 1.00 0.44 0.00 -1.23 -4.86 107.32 100.47 1va9 s GLY 17 Ca 0.63 2.80 -0.15 0.00 0.00 0.00 0.00 44.72 47.99 1va9 s GLY 17 CO -0.02 2.06 1.18 2.56 0.00 0.00 0.00 173.10 178.89 1va9 s PRO 18 N 0.58 0.38 0.80 2.90 0.04 -1.26 -4.52 135.00 133.93 1va9 s PRO 18 Ca -0.01 0.00 -0.11 0.00 0.04 0.00 0.00 61.00 60.92 1va9 s PRO 18 Cb -0.05 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.79 1va9 s PRO 18 CO -0.09 -2.66 1.10 -1.25 0.04 0.00 0.00 177.00 174.14 1va9 s PRO 19 N -5.48 2.08 0.36 0.56 0.04 -1.26 -4.17 135.00 127.12 1va9 s PRO 19 Ca 0.68 0.63 0.09 0.00 0.04 0.00 0.00 61.00 62.44 1va9 s PRO 19 Cb -0.10 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1va9 s PRO 19 CO 0.54 -1.62 -0.05 -1.64 0.04 0.00 0.00 177.00 174.26 1va9 s MET 20 N -5.16 1.89 -1.11 4.56 -1.94 -0.79 -4.65 119.30 112.09 1va9 s MET 20 Ca 0.61 -1.97 0.00 0.00 -1.71 0.00 0.00 55.69 52.62 1va9 s MET 20 Cb -0.14 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 34.98 1va9 s MET 20 CO 0.54 0.08 0.00 -3.47 -0.01 0.00 0.00 175.02 172.16 1va9 n ASP 21 N -0.86 -4.05 -4.64 3.03 2.03 -1.26 0.20 116.55 111.00 1va9 n ASP 21 Ca -0.05 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 1va9 n ASP 21 Cb 0.64 -3.43 -0.04 0.00 -0.72 0.00 0.00 41.12 37.57 1va9 n ASP 21 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1va9 s VAL 22 N -2.64 4.83 0.17 5.18 -7.23 -1.24 -3.49 120.40 115.97 1va9 s VAL 22 Ca 0.00 1.56 -0.13 0.00 -1.81 0.00 0.00 61.98 61.60 1va9 s VAL 22 Cb 0.00 -4.13 0.01 0.00 0.56 0.00 0.00 36.38 32.82 1va9 s VAL 22 CO 0.00 -0.09 0.39 0.28 -0.31 0.00 0.00 175.10 175.36 1va9 s THR 23 N 2.87 0.05 0.37 5.32 -1.32 -0.40 -4.92 115.64 117.61 1va9 s THR 23 Ca 0.35 -1.08 0.08 0.00 -1.21 0.00 0.00 61.69 59.83 1va9 s THR 23 Cb -0.15 -1.66 -0.03 0.00 -1.51 0.00 0.00 72.50 69.15 1va9 s THR 23 CO 0.08 -0.24 0.29 -0.76 -2.21 0.00 0.00 174.62 171.78 1va9 s LEU 24 N -2.91 3.43 -0.30 9.08 1.43 -1.26 -2.06 118.68 126.09 1va9 s LEU 24 Ca 0.12 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 1va9 s LEU 24 Cb 0.01 -2.02 0.15 0.00 0.03 0.00 0.00 46.19 44.36 1va9 s LEU 24 CO -0.02 -0.48 0.89 -1.58 0.23 0.00 0.00 176.35 175.39 1va9 s GLN 25 N -4.02 0.39 -0.23 1.70 0.74 0.72 -4.92 119.66 114.04 1va9 s GLN 25 Ca 0.43 0.93 -0.29 0.00 0.05 0.00 0.00 55.36 56.49 1va9 s GLN 25 Cb -0.04 0.51 -0.01 0.00 1.10 0.00 0.00 33.01 34.58 1va9 s GLN 25 CO 0.26 -0.13 1.31 -1.25 -0.55 0.00 0.00 175.29 174.94 1va9 s PRO 26 N 2.44 4.04 -0.21 1.67 0.04 -1.26 0.22 135.00 141.94 1va9 s PRO 26 Ca -0.04 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.52 1va9 s PRO 26 Cb -0.07 -3.84 -0.17 0.00 0.04 0.00 0.00 34.50 30.45 1va9 s PRO 26 CO -0.18 -0.96 -0.12 1.33 0.04 0.00 0.00 177.00 177.11 1va9 n VAL 27 N 5.87 1.28 -2.18 -0.36 0.24 -1.25 -4.92 118.33 117.00 1va9 n VAL 27 Ca 0.15 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1va9 n VAL 27 Cb 0.46 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 1va9 n VAL 27 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1va9 n THR 28 N -3.01 0.00 0.32 3.34 -2.24 -1.25 -5.06 114.28 106.39 1va9 n THR 28 Ca -0.37 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.45 1va9 n THR 28 Cb 0.97 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 1va9 n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1va9 n SER 29 N 0.00 0.71 -1.10 3.42 7.64 -1.26 -4.09 113.62 118.93 1va9 n SER 29 Ca 0.00 -0.60 0.04 0.00 1.01 0.00 0.00 58.87 59.32 1va9 n SER 29 Cb 0.00 1.04 0.06 0.00 -1.01 0.00 0.00 64.21 64.31 1va9 n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1va9 n GLN 30 N -1.26 0.41 -3.72 1.43 6.02 -1.26 -3.80 117.38 115.21 1va9 n GLN 30 Ca 0.01 -2.18 -0.09 0.00 -0.01 0.00 0.00 57.00 54.73 1va9 n GLN 30 Cb 0.13 -0.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 1va9 n GLN 30 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1va9 s SER 31 N -2.18 -0.35 -0.14 1.08 0.15 -1.26 -0.05 113.70 110.95 1va9 s SER 31 Ca 0.30 -0.42 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 1va9 s SER 31 Cb 0.33 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 65.36 1va9 s SER 31 CO -0.12 -1.22 0.45 -0.63 1.20 0.00 0.00 173.24 172.93 1va9 s ILE 32 N -3.87 0.01 0.17 6.45 1.01 -0.81 -3.78 121.20 120.38 1va9 s ILE 32 Ca 0.08 -0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.51 1va9 s ILE 32 Cb -0.04 -0.66 -0.07 0.00 0.01 0.00 0.00 42.46 41.70 1va9 s ILE 32 CO 0.00 -0.04 0.58 -1.58 0.00 0.00 0.00 174.94 173.91 1va9 s GLN 33 N -0.07 4.01 -0.16 2.79 2.00 0.59 -1.17 119.66 127.66 1va9 s GLN 33 Ca -0.03 0.54 -0.02 0.00 -2.00 0.00 0.00 55.36 53.85 1va9 s GLN 33 Cb -0.03 -2.90 0.05 0.00 0.80 0.00 0.00 33.01 30.93 1va9 s GLN 33 CO 0.02 0.45 0.02 0.08 -0.50 0.00 0.00 175.29 175.35 1va9 s VAL 34 N -1.50 0.55 -0.07 1.34 1.01 0.14 -0.20 120.40 121.67 1va9 s VAL 34 Ca 0.39 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1va9 s VAL 34 Cb -0.15 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1va9 s VAL 34 CO 0.19 -0.04 -0.20 0.42 0.00 0.00 0.00 175.10 175.47 1va9 s THR 35 N 1.87 2.46 0.14 3.92 -4.23 -0.87 -0.71 115.64 118.20 1va9 s THR 35 Ca 0.01 -0.91 -0.10 0.00 -1.18 0.00 0.00 61.69 59.51 1va9 s THR 35 Cb -0.15 -1.94 -0.00 0.00 1.34 0.00 0.00 72.50 71.74 1va9 s THR 35 CO -0.07 0.57 0.27 -1.66 -0.54 0.00 0.00 174.62 173.19 1va9 s TRP 36 N -0.15 0.25 0.26 3.99 -2.14 -0.98 -1.27 118.94 118.89 1va9 s TRP 36 Ca -0.03 -0.63 0.11 0.00 2.66 0.00 0.00 56.10 58.21 1va9 s TRP 36 Cb -0.14 -0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.17 1va9 s TRP 36 CO 0.04 -0.67 -0.12 0.15 -2.66 0.00 0.00 176.95 173.69 1va9 s LYS 37 N -3.92 1.95 0.42 3.25 1.02 0.55 -2.61 119.74 120.40 1va9 s LYS 37 Ca 0.12 -1.56 -0.22 0.00 0.02 0.00 0.00 55.97 54.32 1va9 s LYS 37 Cb 0.04 -1.97 -0.13 0.00 -0.52 0.00 0.00 37.83 35.24 1va9 s LYS 37 CO -0.05 0.36 0.45 0.00 -0.92 0.00 0.00 175.35 175.20 1va9 n ALA 38 N -0.59 -1.82 -1.54 5.17 0.00 0.17 -1.89 120.51 120.00 1va9 n ALA 38 Ca -0.07 0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1va9 n ALA 38 Cb 0.59 -1.71 0.12 0.00 0.00 0.00 0.00 19.45 18.44 1va9 n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1va9 s PRO 39 N -1.46 1.56 0.41 0.00 0.04 -1.26 -4.14 135.00 130.15 1va9 s PRO 39 Ca 0.63 0.45 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 1va9 s PRO 39 Cb -0.61 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 31.92 1va9 s PRO 39 CO 0.59 -1.94 -0.05 1.63 0.04 0.00 0.00 177.00 177.27 1va9 n LYS 40 N -3.62 0.00 0.02 4.56 4.01 -1.26 -4.71 118.16 117.16 1va9 n LYS 40 Ca 0.07 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.69 1va9 n LYS 40 Cb 0.58 -0.86 -0.12 0.00 -0.51 0.00 0.00 35.03 34.12 1va9 n LYS 40 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1va9 h LYS 41 N 0.08 0.39 0.00 1.97 1.63 -1.99 -1.58 116.57 117.06 1va9 h LYS 41 Ca -0.34 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 58.99 1va9 h LYS 41 Cb 1.25 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1va9 h LYS 41 CO 0.37 1.15 0.00 -0.85 -3.45 0.00 0.00 179.45 176.67 1va9 n GLU 42 N -4.18 0.61 -0.01 1.90 0.28 -1.26 -1.81 120.64 116.16 1va9 n GLU 42 Ca -0.11 0.02 0.01 0.00 -0.16 0.00 0.00 57.16 56.92 1va9 n GLU 42 Cb 0.72 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 32.11 1va9 n GLU 42 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1va9 n LEU 43 N -1.09 1.58 -0.10 -1.84 4.77 -1.16 -4.62 117.00 114.54 1va9 n LEU 43 Ca 0.15 -1.39 -0.13 0.00 -0.03 0.00 0.00 56.01 54.61 1va9 n LEU 43 Cb 0.11 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1va9 n LEU 43 CO 0.15 0.38 0.51 1.56 -1.33 0.00 0.00 177.39 178.66 1va9 h GLN 44 N 0.42 0.89 -5.72 3.23 4.20 -0.49 -2.23 115.11 115.41 1va9 h GLN 44 Ca 0.00 -0.50 -0.42 0.00 0.06 0.00 0.00 58.65 57.79 1va9 h GLN 44 Cb 0.27 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 1va9 h GLN 44 CO 0.00 1.14 -0.64 0.09 -0.67 0.00 0.00 178.83 178.75 1va9 n ASN 45 N -4.04 -4.12 0.00 1.46 3.02 -1.26 -4.31 115.26 106.01 1va9 n ASN 45 Ca -0.03 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1va9 n ASN 45 Cb 0.57 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 1va9 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1va9 n GLY 46 N -1.34 0.55 3.96 7.41 0.00 -1.26 -3.65 105.19 110.86 1va9 n GLY 46 Ca 0.00 -2.24 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 1va9 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va9 s VAL 47 N -0.36 2.40 -0.08 1.61 0.11 -1.26 -5.09 120.40 117.72 1va9 s VAL 47 Ca 0.00 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1va9 s VAL 47 Cb 0.00 -2.90 -0.01 0.00 -1.53 0.00 0.00 36.38 31.93 1va9 s VAL 47 CO 0.00 0.00 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.94 1va9 s ILE 48 N -3.04 2.50 -0.13 7.04 -1.09 -1.26 -4.66 121.20 120.56 1va9 s ILE 48 Ca 0.61 -0.89 0.17 0.00 -2.23 0.00 0.00 60.65 58.31 1va9 s ILE 48 Cb -0.09 -1.97 -0.24 0.00 -1.58 0.00 0.00 42.46 38.58 1va9 s ILE 48 CO 0.42 0.56 0.37 0.54 -1.23 0.00 0.00 174.94 175.60 1va9 n ARG 49 N 3.07 0.66 0.00 2.79 1.74 -1.06 -4.86 116.66 119.00 1va9 n ARG 49 Ca -0.18 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1va9 n ARG 49 Cb 0.52 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1va9 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1va9 n GLY 50 N 1.60 -0.16 3.22 -0.13 0.00 -0.65 -3.18 105.19 105.89 1va9 n GLY 50 Ca -0.23 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 1va9 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1va9 s TYR 51 N -2.00 1.39 -0.17 1.61 1.51 -1.09 0.72 117.35 119.32 1va9 s TYR 51 Ca 0.00 -0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 55.51 1va9 s TYR 51 Cb 0.00 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 1va9 s TYR 51 CO 0.00 0.12 0.01 -0.65 -1.11 0.00 0.00 175.55 173.92 1va9 s GLN 52 N -2.16 3.78 -0.40 -0.62 -0.21 0.37 -3.22 119.66 117.21 1va9 s GLN 52 Ca 0.04 -0.45 -0.05 0.00 0.02 0.00 0.00 55.36 54.92 1va9 s GLN 52 Cb -0.08 -3.06 0.09 0.00 1.00 0.00 0.00 33.01 30.96 1va9 s GLN 52 CO 0.03 0.21 0.20 0.42 -2.12 0.00 0.00 175.29 174.03 1va9 s ILE 53 N 0.50 3.58 -0.47 1.08 1.09 -1.09 -1.10 121.20 124.79 1va9 s ILE 53 Ca -0.00 -1.75 -0.19 0.00 -1.10 0.00 0.00 60.65 57.61 1va9 s ILE 53 Cb -0.14 -3.31 0.04 0.00 -1.06 0.00 0.00 42.46 38.00 1va9 s ILE 53 CO 0.02 -0.56 0.57 -0.83 -0.10 0.00 0.00 174.94 174.04 1va9 s GLY 54 N 1.89 1.80 0.02 6.18 0.00 -0.58 -2.39 107.32 114.25 1va9 s GLY 54 Ca 0.04 -1.58 0.07 0.00 0.00 0.00 0.00 44.72 43.25 1va9 s GLY 54 CO -0.02 1.39 -0.21 -2.52 0.00 0.00 0.00 173.10 171.74 1va9 s TYR 55 N 2.50 1.87 -0.17 1.90 1.13 -0.07 0.61 117.35 125.12 1va9 s TYR 55 Ca 0.15 -0.37 -0.23 0.00 -1.41 0.00 0.00 57.07 55.22 1va9 s TYR 55 Cb -0.18 -1.16 0.06 0.00 -1.10 0.00 0.00 41.96 39.58 1va9 s TYR 55 CO 0.14 0.04 0.60 -0.98 -2.51 0.00 0.00 175.55 172.83 1va9 s ARG 56 N -0.88 0.79 0.49 -3.49 1.70 -1.15 0.08 118.95 116.50 1va9 s ARG 56 Ca 0.08 0.61 -0.21 0.00 -0.47 0.00 0.00 55.73 55.73 1va9 s ARG 56 Cb -0.09 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.58 1va9 s ARG 56 CO 0.01 -0.15 0.85 -1.91 -1.08 0.00 0.00 175.30 173.01 1va9 n GLU 57 N 2.18 0.99 -0.96 3.89 2.13 -1.26 -3.41 120.64 124.18 1va9 n GLU 57 Ca -0.16 0.36 -0.20 0.00 0.66 0.00 0.00 57.16 57.82 1va9 n GLU 57 Cb 0.56 -1.94 0.09 0.00 0.27 0.00 0.00 31.44 30.43 1va9 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1va9 n ASN 58 N 0.31 5.15 -4.79 4.31 5.03 -1.12 -4.86 115.26 119.29 1va9 n ASN 58 Ca 0.11 -3.24 -0.29 0.00 0.87 0.00 0.00 54.58 52.03 1va9 n ASN 58 Cb 0.43 -0.87 0.12 0.00 -1.02 0.00 0.00 39.78 38.43 1va9 n ASN 58 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1va9 s SER 59 N -0.64 3.93 -0.36 6.41 0.01 -1.26 -4.96 113.70 116.84 1va9 s SER 59 Ca 0.42 1.15 -0.29 0.00 1.31 0.00 0.00 55.95 58.55 1va9 s SER 59 Cb 0.34 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1va9 s SER 59 CO 0.04 -2.31 1.38 -2.16 0.41 0.00 0.00 173.24 170.60 1va9 s PRO 60 N -5.20 3.72 -1.26 12.44 0.04 -1.26 -3.91 135.00 139.58 1va9 s PRO 60 Ca 0.62 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.53 1va9 s PRO 60 Cb -0.15 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.46 1va9 s PRO 60 CO 0.54 -1.37 0.46 0.41 0.04 0.00 0.00 177.00 177.08 1va9 n GLY 61 N 4.74 -0.60 0.11 0.56 0.00 -1.26 -4.77 105.19 103.97 1va9 n GLY 61 Ca 0.16 0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.58 1va9 n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1va9 n SER 62 N -2.20 0.33 -4.26 1.61 2.88 -1.25 -4.90 113.62 105.83 1va9 n SER 62 Ca -0.17 -1.30 -0.35 0.00 -1.33 0.00 0.00 58.87 55.72 1va9 n SER 62 Cb 0.57 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 1va9 n SER 62 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1va9 n ASN 63 N -0.65 -0.28 -4.05 -3.46 5.15 -1.26 -4.86 115.26 105.84 1va9 n ASN 63 Ca 0.18 -1.28 -0.34 0.00 -0.60 0.00 0.00 54.58 52.54 1va9 n ASN 63 Cb 0.14 -1.58 -0.08 0.00 -0.53 0.00 0.00 39.78 37.72 1va9 n ASN 63 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1va9 s GLY 64 N -4.18 2.99 -0.03 8.20 0.00 -1.26 -5.06 107.32 107.99 1va9 s GLY 64 Ca 0.12 -3.79 -0.40 0.00 0.00 0.00 0.00 44.72 40.65 1va9 s GLY 64 CO 0.99 1.15 1.09 -1.06 0.00 0.00 0.00 173.10 175.28 1va9 n GLN 65 N 2.33 0.00 -1.28 2.90 3.00 -1.26 -4.52 117.38 118.54 1va9 n GLN 65 Ca 0.20 0.00 -0.56 0.00 -0.01 0.00 0.00 57.00 56.63 1va9 n GLN 65 Cb 0.36 -1.49 -0.12 0.00 0.00 0.00 0.00 30.24 28.99 1va9 n GLN 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1va9 n TYR 66 N 1.63 1.05 -1.72 1.08 4.01 -1.26 -4.73 117.16 117.21 1va9 n TYR 66 Ca 0.20 0.70 -0.42 0.00 -0.16 0.00 0.00 57.90 58.22 1va9 n TYR 66 Cb 0.07 -2.28 -0.03 0.00 -0.31 0.00 0.00 39.34 36.79 1va9 n TYR 66 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1va9 s SER 67 N 6.45 5.45 0.21 7.72 0.01 0.11 -4.61 113.70 129.05 1va9 s SER 67 Ca 1.21 1.60 -0.19 0.00 1.31 0.00 0.00 55.95 59.88 1va9 s SER 67 Cb -1.44 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 62.19 1va9 s SER 67 CO 0.62 -2.01 0.71 -0.63 0.41 0.00 0.00 173.24 172.35 1va9 s ILE 68 N 8.38 4.59 -0.13 1.44 -1.09 -1.26 -0.89 121.20 132.23 1va9 s ILE 68 Ca 0.94 1.25 -0.04 0.00 -2.23 0.00 0.00 60.65 60.57 1va9 s ILE 68 Cb -0.28 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1va9 s ILE 68 CO 0.33 0.22 0.07 0.68 -1.23 0.00 0.00 174.94 175.01 1va9 s VAL 69 N -1.51 -0.00 -0.04 2.92 -7.23 -1.01 -4.94 120.40 108.59 1va9 s VAL 69 Ca 0.42 -0.04 -0.26 0.00 -1.81 0.00 0.00 61.98 60.30 1va9 s VAL 69 Cb -0.17 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 1va9 s VAL 69 CO 0.21 -0.13 0.81 -0.70 -0.31 0.00 0.00 175.10 174.98 1va9 s GLU 70 N 2.11 4.48 -0.01 4.82 2.12 -1.26 -2.66 118.70 128.30 1va9 s GLU 70 Ca 0.03 1.08 -0.07 0.00 0.36 0.00 0.00 54.97 56.37 1va9 s GLU 70 Cb -0.15 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1va9 s GLU 70 CO -0.07 0.02 0.14 0.00 -0.54 0.00 0.00 175.26 174.81 1va9 s MET 71 N 0.87 0.44 0.52 4.30 0.23 -1.20 -5.06 119.30 119.41 1va9 s MET 71 Ca 0.43 -0.31 -0.20 0.00 -1.03 0.00 0.00 55.69 54.59 1va9 s MET 71 Cb -0.19 0.18 -0.07 0.00 -1.53 0.00 0.00 34.83 33.22 1va9 s MET 71 CO 0.22 -0.10 1.09 0.15 -2.03 0.00 0.00 175.02 174.34 1va9 s LYS 72 N -1.16 3.55 -0.46 3.16 1.02 -1.26 -2.68 119.74 121.92 1va9 s LYS 72 Ca -0.12 1.48 -0.21 0.00 0.02 0.00 0.00 55.97 57.14 1va9 s LYS 72 Cb -0.07 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1va9 s LYS 72 CO 0.01 -0.66 0.68 0.00 -0.92 0.00 0.00 175.35 174.46 1va9 s ALA 73 N -1.89 3.33 0.58 5.17 0.00 -1.19 -4.82 121.76 122.93 1va9 s ALA 73 Ca 0.70 -1.26 0.29 0.00 0.00 0.00 0.00 51.96 51.69 1va9 s ALA 73 Cb -0.20 -3.36 1.47 0.00 0.00 0.00 0.00 23.12 21.03 1va9 s ALA 73 CO 0.24 -1.87 1.90 1.79 0.00 0.00 0.00 175.76 177.82 1va9 h THR 74 N 5.90 0.42 0.00 0.00 1.35 -1.95 -3.47 112.91 115.17 1va9 h THR 74 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1va9 h THR 74 Cb 1.09 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1va9 h THR 74 CO 0.92 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 1va9 n GLY 75 N -1.55 -0.60 0.29 5.82 0.00 -1.26 -4.93 105.19 102.96 1va9 n GLY 75 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1va9 n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1va9 h ASP 76 N 0.00 0.43 -3.84 1.61 3.32 -2.00 -3.42 116.42 112.52 1va9 h ASP 76 Ca 0.00 -0.04 -0.69 0.00 0.02 0.00 0.00 57.03 56.33 1va9 h ASP 76 Cb 0.00 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 39.23 1va9 h ASP 76 CO 0.00 0.39 -0.86 -0.94 -1.72 0.00 0.00 179.24 176.11 1va9 s SER 77 N -6.74 3.39 0.09 6.45 1.04 -1.26 0.42 113.70 117.09 1va9 s SER 77 Ca -0.08 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.59 1va9 s SER 77 Cb 0.17 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1va9 s SER 77 CO 0.74 0.18 0.05 -1.61 0.98 0.00 0.00 173.24 173.57 1va9 s GLU 78 N -2.11 0.77 -0.03 4.02 8.01 -1.07 -4.09 118.70 124.20 1va9 s GLU 78 Ca 0.15 -1.25 -0.18 0.00 0.01 0.00 0.00 54.97 53.70 1va9 s GLU 78 Cb -0.10 0.25 0.03 0.00 -4.31 0.00 0.00 34.13 30.00 1va9 s GLU 78 CO 0.07 -0.20 0.39 0.54 0.01 0.00 0.00 175.26 176.07 1va9 s VAL 79 N -3.95 0.04 -0.01 2.63 0.11 -1.26 -2.31 120.40 115.65 1va9 s VAL 79 Ca 0.12 -0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 58.72 1va9 s VAL 79 Cb 0.07 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1va9 s VAL 79 CO -0.06 -0.19 0.21 -0.47 -3.33 0.00 0.00 175.10 171.25 1va9 s TYR 80 N -1.24 -0.06 -0.30 1.54 5.04 0.11 -4.98 117.35 117.46 1va9 s TYR 80 Ca -0.13 0.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.59 1va9 s TYR 80 Cb -0.04 0.02 0.07 0.00 0.35 0.00 0.00 41.96 42.35 1va9 s TYR 80 CO 0.05 -0.31 -0.03 0.99 -1.34 0.00 0.00 175.55 174.92 1va9 s THR 81 N -1.24 2.48 -0.55 4.34 2.01 -1.26 0.28 115.64 121.71 1va9 s THR 81 Ca -0.13 -1.76 -0.28 0.00 0.31 0.00 0.00 61.69 59.83 1va9 s THR 81 Cb -0.06 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.92 1va9 s THR 81 CO 0.02 -0.22 1.34 -0.76 -0.69 0.00 0.00 174.62 174.32 1va9 s LEU 82 N 1.10 3.45 0.44 4.42 2.01 -0.32 -4.83 118.68 124.96 1va9 s LEU 82 Ca -0.03 0.30 0.01 0.00 0.01 0.00 0.00 54.13 54.43 1va9 s LEU 82 Cb -0.20 -3.16 -0.00 0.00 0.01 0.00 0.00 46.19 42.83 1va9 s LEU 82 CO -0.05 -1.59 0.66 1.51 1.01 0.00 0.00 176.35 177.89 1va9 s ASP 83 N 3.87 5.83 -0.09 2.29 -4.77 -1.26 -1.92 116.67 120.61 1va9 s ASP 83 Ca 0.50 0.24 -0.00 0.00 -3.30 0.00 0.00 52.55 49.99 1va9 s ASP 83 Cb -0.10 -1.49 0.00 0.00 -1.09 0.00 0.00 42.92 40.24 1va9 s ASP 83 CO 0.26 -0.69 0.08 0.59 0.70 0.00 0.00 175.17 176.11 1va9 n ASN 84 N -2.05 -2.01 -4.68 2.11 3.02 0.93 -4.93 115.26 107.65 1va9 n ASN 84 Ca 0.01 -0.05 -0.23 0.00 -0.03 0.00 0.00 54.58 54.28 1va9 n ASN 84 Cb 0.58 -0.85 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 1va9 n ASN 84 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1va9 s LEU 85 N -2.31 3.19 1.02 3.41 1.43 -0.48 -4.99 118.68 119.95 1va9 s LEU 85 Ca 0.00 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1va9 s LEU 85 Cb -0.00 -1.67 0.21 0.00 0.03 0.00 0.00 46.19 44.76 1va9 s LEU 85 CO 0.06 -0.17 1.24 -0.54 0.23 0.00 0.00 176.35 177.17 1va9 s LYS 86 N -3.76 0.22 -0.17 1.70 3.01 -1.26 -4.28 119.74 115.21 1va9 s LYS 86 Ca 0.35 -0.23 -0.08 0.00 -1.01 0.00 0.00 55.97 54.99 1va9 s LYS 86 Cb -0.04 -1.78 -0.04 0.00 -1.01 0.00 0.00 37.83 34.96 1va9 s LYS 86 CO 0.21 -2.72 0.12 0.15 0.51 0.00 0.00 175.35 173.62 1va9 s LYS 87 N -5.69 3.88 -0.92 1.68 1.02 -1.25 -4.46 119.74 114.00 1va9 s LYS 87 Ca 0.72 -0.21 -0.09 0.00 0.02 0.00 0.00 55.97 56.40 1va9 s LYS 87 Cb -0.07 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1va9 s LYS 87 CO 0.54 0.47 0.66 0.34 -0.92 0.00 0.00 175.35 176.43 1va9 n PHE 88 N 2.97 -2.06 -3.78 3.18 7.35 -0.17 -4.95 117.46 120.01 1va9 n PHE 88 Ca -0.17 0.70 -0.13 0.00 -0.76 0.00 0.00 57.45 57.09 1va9 n PHE 88 Cb 0.53 -3.07 -0.12 0.00 0.35 0.00 0.00 39.48 37.17 1va9 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1va9 s ALA 89 N -3.15 -0.53 -0.14 3.13 0.00 -1.26 -4.82 121.76 115.00 1va9 s ALA 89 Ca 0.15 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 1va9 s ALA 89 Cb -0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1va9 s ALA 89 CO 0.88 -0.12 1.28 -1.14 0.00 0.00 0.00 175.76 176.66 1va9 s GLN 90 N 0.37 4.25 -0.15 0.00 0.74 -1.26 -2.40 119.66 121.20 1va9 s GLN 90 Ca -0.02 1.71 0.02 0.00 0.05 0.00 0.00 55.36 57.12 1va9 s GLN 90 Cb -0.04 -3.74 0.01 0.00 1.10 0.00 0.00 33.01 30.34 1va9 s GLN 90 CO -0.02 -0.67 -0.21 0.71 -0.55 0.00 0.00 175.29 174.55 1va9 s TYR 91 N 3.31 2.71 -0.20 1.67 2.02 -1.26 -2.80 117.35 122.81 1va9 s TYR 91 Ca 0.56 -1.44 -0.06 0.00 -0.37 0.00 0.00 57.07 55.76 1va9 s TYR 91 Cb -0.23 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1va9 s TYR 91 CO 0.17 -0.67 0.04 0.20 -1.57 0.00 0.00 175.55 173.71 1va9 s GLY 92 N 0.98 1.80 0.23 0.71 0.00 -1.22 -2.83 107.32 106.99 1va9 s GLY 92 Ca -0.03 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.82 1va9 s GLY 92 CO -0.06 0.21 -0.04 -1.34 0.00 0.00 0.00 173.10 171.87 1va9 s VAL 93 N 0.86 1.29 -0.09 1.40 -7.23 -0.97 -2.92 120.40 112.74 1va9 s VAL 93 Ca 0.02 -2.08 -0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1va9 s VAL 93 Cb -0.14 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.54 1va9 s VAL 93 CO 0.02 -0.40 -0.07 0.68 -0.31 0.00 0.00 175.10 175.02 1va9 s VAL 94 N -3.25 0.92 0.19 1.32 -7.23 0.20 -2.49 120.40 110.05 1va9 s VAL 94 Ca 0.27 -0.25 -0.14 0.00 -1.81 0.00 0.00 61.98 60.04 1va9 s VAL 94 Cb 0.04 -0.94 -0.07 0.00 0.56 0.00 0.00 36.38 35.97 1va9 s VAL 94 CO 0.08 0.34 0.59 -0.69 -0.31 0.00 0.00 175.10 175.11 1va9 s VAL 95 N 1.51 4.81 -0.18 1.32 1.01 -1.26 -1.52 120.40 126.10 1va9 s VAL 95 Ca 0.01 0.84 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 1va9 s VAL 95 Cb -0.13 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1va9 s VAL 95 CO -0.05 0.15 0.46 0.00 0.00 0.00 0.00 175.10 175.66 1va9 s GLN 96 N -2.19 0.51 -0.11 2.72 -2.07 -0.26 0.43 119.66 118.68 1va9 s GLN 96 Ca 0.41 0.72 -0.16 0.00 -1.82 0.00 0.00 55.36 54.51 1va9 s GLN 96 Cb -0.14 0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 31.91 1va9 s GLN 96 CO 0.20 -0.10 0.40 0.00 -1.32 0.00 0.00 175.29 174.47 1va9 s ALA 97 N 0.65 3.55 -0.02 2.60 0.00 -1.26 0.14 121.76 127.42 1va9 s ALA 97 Ca -0.03 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1va9 s ALA 97 Cb -0.05 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 1va9 s ALA 97 CO -0.04 0.12 -0.19 -0.59 0.00 0.00 0.00 175.76 175.05 1va9 s PHE 98 N 0.27 1.80 0.49 0.00 -0.12 0.22 -2.12 117.98 118.52 1va9 s PHE 98 Ca 0.22 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1va9 s PHE 98 Cb -0.15 -1.17 -0.01 0.00 -0.63 0.00 0.00 43.02 41.06 1va9 s PHE 98 CO 0.09 -0.07 0.03 0.54 -0.05 0.00 0.00 175.22 175.76 1va9 s ASN 99 N -0.34 3.85 0.56 1.98 2.20 0.44 -1.63 114.94 122.00 1va9 s ASN 99 Ca 0.04 -1.67 0.24 0.00 -0.94 0.00 0.00 52.86 50.54 1va9 s ASN 99 Cb -0.09 0.54 1.53 0.00 -2.00 0.00 0.00 41.25 41.23 1va9 s ASN 99 CO 0.00 -0.88 2.14 0.08 -2.94 0.00 0.00 177.10 175.50 1va9 h ARG 100 N 1.44 0.00 0.00 3.55 -0.00 -1.96 0.45 114.38 117.86 1va9 h ARG 100 Ca -0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.54 1va9 h ARG 100 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.27 1va9 h ARG 100 CO 0.70 0.00 -0.11 0.00 -0.00 0.00 0.00 179.97 180.57 1va9 h ALA 101 N 1.90 1.01 0.00 0.08 0.00 -1.88 -3.49 119.26 116.88 1va9 h ALA 101 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1va9 h ALA 101 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1va9 h ALA 101 CO -0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1va9 n GLY 102 N 0.19 0.89 3.70 0.00 0.00 0.16 -4.01 105.19 106.12 1va9 n GLY 102 Ca 0.01 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 1va9 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va9 s THR 103 N -3.10 3.94 0.00 2.61 2.01 -1.26 0.17 115.64 120.01 1va9 s THR 103 Ca 0.00 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 60.74 1va9 s THR 103 Cb 0.00 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1va9 s THR 103 CO 0.00 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 1va9 n GLY 104 N -0.02 3.88 3.81 4.40 0.00 -0.90 -4.45 105.19 111.90 1va9 n GLY 104 Ca -0.10 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 1va9 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va9 s PRO 105 N 1.02 2.07 0.22 1.61 0.04 -1.25 -4.81 135.00 133.90 1va9 s PRO 105 Ca 0.00 0.63 0.03 0.00 0.04 0.00 0.00 61.00 61.70 1va9 s PRO 105 Cb 0.00 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1va9 s PRO 105 CO 0.00 -1.63 0.35 -1.54 0.04 0.00 0.00 177.00 174.23 1va9 s SER 106 N -3.92 6.33 0.64 6.66 1.04 -1.26 -4.00 113.70 119.20 1va9 s SER 106 Ca 0.61 0.16 -0.06 0.00 0.48 0.00 0.00 55.95 57.13 1va9 s SER 106 Cb -0.14 -1.90 0.03 0.00 0.10 0.00 0.00 66.02 64.11 1va9 s SER 106 CO 0.54 -0.05 0.95 -0.94 0.98 0.00 0.00 173.24 174.73 1va9 s SER 107 N -3.68 5.25 0.99 7.02 1.04 0.17 -4.69 113.70 119.81 1va9 s SER 107 Ca 0.35 0.60 -0.17 0.00 0.48 0.00 0.00 55.95 57.21 1va9 s SER 107 Cb -0.10 -1.44 -0.15 0.00 0.10 0.00 0.00 66.02 64.43 1va9 s SER 107 CO 0.29 -1.30 -0.80 -1.20 0.98 0.00 0.00 173.24 171.21 1va9 n SER 108 N -2.73 -6.01 -4.55 7.02 7.64 -1.26 -4.41 113.62 109.31 1va9 n SER 108 Ca 0.06 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.70 1va9 n SER 108 Cb 0.59 -0.76 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 1va9 n SER 108 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1va9 s GLU 109 N -1.98 3.83 1.02 1.43 2.12 -1.26 -4.61 118.70 119.24 1va9 s GLU 109 Ca 0.40 -1.74 -0.12 0.00 0.36 0.00 0.00 54.97 53.86 1va9 s GLU 109 Cb -0.18 -5.37 0.20 0.00 0.26 0.00 0.00 34.13 29.04 1va9 s GLU 109 CO 0.82 -2.14 1.09 0.96 -0.54 0.00 0.00 175.26 175.45 1va9 s ILE 110 N 4.05 2.07 0.30 -3.70 -4.36 -1.04 -4.82 121.20 113.70 1va9 s ILE 110 Ca 0.48 0.02 -0.12 0.00 -0.26 0.00 0.00 60.65 60.78 1va9 s ILE 110 Cb 0.01 -2.46 0.01 0.00 1.25 0.00 0.00 42.46 41.27 1va9 s ILE 110 CO -0.01 -0.03 0.56 0.20 0.24 0.00 0.00 174.94 175.90 1va9 s ASN 111 N -3.35 0.15 0.00 4.36 0.01 -1.26 -2.29 114.94 112.56 1va9 s ASN 111 Ca 0.66 -1.07 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1va9 s ASN 111 Cb -0.19 0.67 0.00 0.00 0.41 0.00 0.00 41.25 42.13 1va9 s ASN 111 CO 0.58 -1.30 0.00 0.00 -1.51 0.00 0.00 177.10 174.88 1va9 n ALA 112 N -0.46 0.00 -2.08 0.60 0.00 -1.13 -4.23 120.51 113.21 1va9 n ALA 112 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1va9 n ALA 112 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1va9 n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1va9 s THR 113 N 0.00 3.26 1.19 0.00 2.01 -1.26 -4.01 115.64 116.83 1va9 s THR 113 Ca 0.00 0.78 -0.17 0.00 0.31 0.00 0.00 61.69 62.62 1va9 s THR 113 Cb 0.00 -3.50 0.22 0.00 0.01 0.00 0.00 72.50 69.23 1va9 s THR 113 CO 0.00 0.02 0.51 0.35 -0.69 0.00 0.00 174.62 174.82 1va9 n THR 114 N 4.41 0.00 -1.56 -0.82 -2.24 -1.01 -4.78 114.28 108.28 1va9 n THR 114 Ca 0.14 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 1va9 n THR 114 Cb 0.42 -0.79 0.20 0.00 -2.10 0.00 0.00 70.33 68.05 1va9 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1va9 s LEU 115 N -4.29 1.86 0.00 3.22 2.01 -1.26 -4.07 118.68 116.16 1va9 s LEU 115 Ca 0.61 0.50 0.26 0.00 0.01 0.00 0.00 54.13 55.51 1va9 s LEU 115 Cb -0.17 -2.47 1.53 0.00 0.01 0.00 0.00 46.19 45.09 1va9 s LEU 115 CO 0.62 -3.22 1.99 -0.62 1.01 0.00 0.00 176.35 176.14 1va9 n GLU 116 N -4.13 1.03 -2.77 1.70 1.02 -1.26 -1.00 120.64 115.23 1va9 n GLU 116 Ca 0.13 -0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1va9 n GLU 116 Cb 0.59 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1va9 n GLU 116 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1va9 n SER 117 N -0.86 -2.81 -3.61 1.62 7.64 -1.26 -4.88 113.62 109.46 1va9 n SER 117 Ca 0.20 1.22 -0.02 0.00 1.01 0.00 0.00 58.87 61.27 1va9 n SER 117 Cb 0.10 -3.99 -0.02 0.00 -1.01 0.00 0.00 64.21 59.29 1va9 n SER 117 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1va9 s GLY 118 N -0.44 -0.29 -0.52 0.23 0.00 -1.26 -5.11 107.32 99.94 1va9 s GLY 118 Ca -0.19 1.57 -0.28 0.00 0.00 0.00 0.00 44.72 45.82 1va9 s GLY 118 CO 0.53 0.50 1.48 2.56 0.00 0.00 0.00 173.10 178.16 1va9 s PRO 119 N -2.26 3.30 0.35 2.90 0.04 -1.26 -4.98 135.00 133.10 1va9 s PRO 119 Ca 0.11 0.63 0.06 0.00 0.04 0.00 0.00 61.00 61.83 1va9 s PRO 119 Cb 0.00 -4.13 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 1va9 s PRO 119 CO -0.04 -1.92 0.02 0.45 0.04 0.00 0.00 177.00 175.54 1va9 s SER 120 N 4.74 3.09 0.02 6.66 0.15 -1.26 -5.16 113.70 121.94 1va9 s SER 120 Ca 0.57 -1.34 0.07 0.00 0.70 0.00 0.00 55.95 55.95 1va9 s SER 120 Cb -0.12 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1va9 s SER 120 CO 0.27 -0.49 -0.21 -0.44 1.20 0.00 0.00 173.24 173.57 1va9 s SER 121 N -3.58 2.45 0.00 5.45 0.01 -1.26 -5.29 113.70 111.49 1va9 s SER 121 Ca 0.35 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1va9 s SER 121 Cb 0.08 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1va9 s SER 121 CO 0.16 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.62