#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 -0.24 0.61 1.61 0.15 -1.26 -5.15 113.70 109.42 1va9 s SER 2 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1va9 s SER 2 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1va9 s SER 2 CO 0.00 -0.36 0.00 -1.20 1.20 0.00 0.00 173.24 172.88 1va9 n SER 3 N 0.05 -7.86 -3.18 5.45 7.64 -1.26 -5.03 113.62 109.42 1va9 n SER 3 Ca -0.04 1.55 0.05 0.00 1.01 0.00 0.00 58.87 61.44 1va9 n SER 3 Cb 0.59 -4.92 -0.02 0.00 -1.01 0.00 0.00 64.21 58.85 1va9 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1va9 s GLY 4 N -6.72 -0.25 0.57 0.23 0.00 -1.26 -5.16 107.32 94.73 1va9 s GLY 4 Ca 0.00 2.91 -0.17 0.00 0.00 0.00 0.00 44.72 47.46 1va9 s GLY 4 CO 0.00 3.71 1.07 -0.56 0.00 0.00 0.00 173.10 177.32 1va9 s SER 5 N 2.81 5.83 0.16 1.64 0.01 -1.26 -5.04 113.70 117.85 1va9 s SER 5 Ca -0.02 1.90 -0.06 0.00 1.31 0.00 0.00 55.95 59.09 1va9 s SER 5 Cb -0.09 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 1va9 s SER 5 CO -0.12 -1.14 0.41 -0.94 0.41 0.00 0.00 173.24 171.86 1va9 s SER 6 N -2.47 6.52 0.00 2.44 1.04 -1.26 -4.98 113.70 114.99 1va9 s SER 6 Ca 0.66 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1va9 s SER 6 Cb -0.17 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1va9 s SER 6 CO 0.32 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.18 1va9 n GLY 7 N 0.04 2.50 3.57 7.32 0.00 -1.26 -5.04 105.19 112.33 1va9 n GLY 7 Ca -0.02 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 3.15 -0.37 -0.61 1.01 -1.26 -4.78 121.20 118.35 1va9 s ILE 8 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 1va9 s ILE 8 Cb 0.00 -3.29 0.20 0.00 0.01 0.00 0.00 42.46 39.38 1va9 s ILE 8 CO 0.00 -0.24 0.98 -0.94 0.00 0.00 0.00 174.94 174.74 1va9 s SER 9 N 9.25 -0.60 -0.08 3.58 1.04 -1.26 -5.00 113.70 120.63 1va9 s SER 9 Ca 0.90 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.90 1va9 s SER 9 Cb -0.22 0.78 0.38 0.00 0.10 0.00 0.00 66.02 67.06 1va9 s SER 9 CO 0.29 -0.04 1.17 0.41 0.98 0.00 0.00 173.24 176.05 1va9 n THR 10 N 3.25 1.07 -3.83 2.02 -1.04 -1.26 -4.62 114.28 109.87 1va9 n THR 10 Ca 0.10 -0.62 -0.30 0.00 -2.04 0.00 0.00 64.05 61.19 1va9 n THR 10 Cb 0.62 -0.17 -0.14 0.00 -1.82 0.00 0.00 70.33 68.82 1va9 n THR 10 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1va9 s GLU 11 N -1.75 1.24 0.59 -2.82 2.02 -1.26 -5.11 118.70 111.61 1va9 s GLU 11 Ca 0.26 -1.75 -0.00 0.00 0.02 0.00 0.00 54.97 53.50 1va9 s GLU 11 Cb 0.18 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.87 1va9 s GLU 11 CO 0.11 -1.04 0.83 -1.21 0.02 0.00 0.00 175.26 173.97 1va9 s GLU 12 N 0.83 2.44 0.02 1.61 8.01 -1.26 -5.12 118.70 125.23 1va9 s GLU 12 Ca 0.13 -0.69 0.01 0.00 0.01 0.00 0.00 54.97 54.43 1va9 s GLU 12 Cb -0.21 -2.42 -0.02 0.00 -4.31 0.00 0.00 34.13 27.18 1va9 s GLU 12 CO -0.10 -0.85 -0.05 0.00 0.01 0.00 0.00 175.26 174.27 1va9 s ALA 13 N -2.88 0.35 0.98 5.21 0.00 -1.25 -4.82 121.76 119.35 1va9 s ALA 13 Ca 0.58 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1va9 s ALA 13 Cb -0.10 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.96 1va9 s ALA 13 CO 0.40 -0.04 -0.51 0.00 0.00 0.00 0.00 175.76 175.60 1va9 n ALA 14 N 1.90 -4.79 -1.72 0.00 0.00 -1.17 -4.58 120.51 110.14 1va9 n ALA 14 Ca -0.21 -0.66 -0.33 0.00 0.00 0.00 0.00 53.44 52.25 1va9 n ALA 14 Cb 0.56 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.36 3.51 -0.53 0.00 0.04 -1.26 -4.63 135.00 129.76 1va9 s PRO 15 Ca 0.44 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.77 1va9 s PRO 15 Cb -0.19 -2.06 0.34 0.00 0.04 0.00 0.00 34.50 32.63 1va9 s PRO 15 CO 0.79 -0.66 0.89 -0.25 0.04 0.00 0.00 177.00 177.81 1va9 n ASP 16 N -1.70 3.59 0.00 6.66 9.92 -1.25 -4.27 116.55 129.49 1va9 n ASP 16 Ca 0.09 -3.51 0.00 0.00 -0.53 0.00 0.00 54.79 50.83 1va9 n ASP 16 Cb 0.53 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1va9 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1va9 n GLY 17 N -0.06 1.86 3.78 0.44 0.00 -1.26 -4.73 105.19 105.21 1va9 n GLY 17 Ca 0.29 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 1va9 n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va9 s PRO 18 N 0.00 0.77 0.89 1.61 0.04 -1.26 -4.65 135.00 132.40 1va9 s PRO 18 Ca 0.00 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.07 1va9 s PRO 18 Cb 0.00 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.86 1va9 s PRO 18 CO 0.00 -2.42 1.13 -1.25 0.04 0.00 0.00 177.00 174.50 1va9 s PRO 19 N -5.38 1.31 0.54 0.56 0.04 -1.26 -3.58 135.00 127.23 1va9 s PRO 19 Ca 0.66 0.35 0.06 0.00 0.04 0.00 0.00 61.00 62.11 1va9 s PRO 19 Cb -0.13 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1va9 s PRO 19 CO 0.54 -2.10 0.44 -1.64 0.04 0.00 0.00 177.00 174.28 1va9 s MET 20 N -5.26 2.28 -1.10 4.56 -1.94 -0.09 -4.58 119.30 113.17 1va9 s MET 20 Ca 0.63 -1.95 -0.08 0.00 -1.71 0.00 0.00 55.69 52.59 1va9 s MET 20 Cb -0.15 -2.17 0.06 0.00 2.01 0.00 0.00 34.83 34.59 1va9 s MET 20 CO 0.53 -0.61 0.34 -3.47 -0.01 0.00 0.00 175.02 171.81 1va9 n ASP 21 N -1.79 -3.16 -4.58 3.03 2.03 -1.26 0.19 116.55 111.01 1va9 n ASP 21 Ca 0.01 -0.23 -0.42 0.00 0.52 0.00 0.00 54.79 54.66 1va9 n ASP 21 Cb 0.64 -2.67 -0.02 0.00 -0.72 0.00 0.00 41.12 38.35 1va9 n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1va9 s VAL 22 N -2.76 3.94 0.10 5.18 1.01 -1.25 -3.45 120.40 123.16 1va9 s VAL 22 Ca 0.31 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 63.05 1va9 s VAL 22 Cb -0.17 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.64 1va9 s VAL 22 CO 0.38 -1.21 0.21 0.28 0.00 0.00 0.00 175.10 174.76 1va9 s THR 23 N 5.35 0.13 0.31 3.92 -1.32 -0.78 -5.01 115.64 118.26 1va9 s THR 23 Ca 0.48 -1.17 0.08 0.00 -1.21 0.00 0.00 61.69 59.88 1va9 s THR 23 Cb -0.09 -1.38 -0.04 0.00 -1.51 0.00 0.00 72.50 69.48 1va9 s THR 23 CO 0.26 -0.60 0.14 -0.76 -2.21 0.00 0.00 174.62 171.46 1va9 s LEU 24 N -2.87 3.37 -0.30 9.08 1.43 -1.26 -2.15 118.68 125.97 1va9 s LEU 24 Ca 0.06 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1va9 s LEU 24 Cb 0.05 -1.88 0.15 0.00 0.03 0.00 0.00 46.19 44.54 1va9 s LEU 24 CO -0.10 -0.22 0.81 -1.58 0.23 0.00 0.00 176.35 175.49 1va9 s GLN 25 N -3.83 0.44 -0.16 1.70 0.74 -0.15 -4.95 119.66 113.45 1va9 s GLN 25 Ca 0.36 1.05 -0.29 0.00 0.05 0.00 0.00 55.36 56.53 1va9 s GLN 25 Cb -0.04 0.63 -0.02 0.00 1.10 0.00 0.00 33.01 34.68 1va9 s GLN 25 CO 0.23 -0.21 1.27 -1.25 -0.55 0.00 0.00 175.29 174.79 1va9 s PRO 26 N 2.72 4.24 -0.23 1.67 0.04 -1.26 0.19 135.00 142.36 1va9 s PRO 26 Ca -0.01 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.75 1va9 s PRO 26 Cb -0.10 -3.76 -0.17 0.00 0.04 0.00 0.00 34.50 30.51 1va9 s PRO 26 CO -0.18 -0.70 -0.16 1.33 0.04 0.00 0.00 177.00 177.32 1va9 n VAL 27 N 5.35 1.39 -1.65 -0.36 0.24 -1.25 -4.60 118.33 117.44 1va9 n VAL 27 Ca 0.14 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1va9 n VAL 27 Cb 0.45 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 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 -3.12 0.00 -0.03 3.34 -2.24 -1.26 0.18 114.28 111.16 1va9 n THR 28 Ca -0.41 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 1va9 n THR 28 Cb 0.99 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.13 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 2.29 -2.45 3.42 7.64 -1.26 -3.38 113.62 119.87 1va9 n SER 29 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1va9 n SER 29 Cb 0.00 1.21 0.02 0.00 -1.01 0.00 0.00 64.21 64.43 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 -2.13 2.65 -3.63 1.43 6.02 -1.26 -4.13 117.38 116.33 1va9 n GLN 30 Ca -0.09 -3.92 -0.05 0.00 -0.01 0.00 0.00 57.00 52.93 1va9 n GLN 30 Cb 0.55 -1.92 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.55 -0.23 -0.06 1.08 0.15 -1.26 -1.15 113.70 108.68 1va9 s SER 31 Ca 0.40 -0.18 -0.17 0.00 0.70 0.00 0.00 55.95 56.70 1va9 s SER 31 Cb 0.39 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1va9 s SER 31 CO -0.04 -0.65 0.39 -0.63 1.20 0.00 0.00 173.24 173.52 1va9 s ILE 32 N -3.02 0.03 -0.31 6.45 1.01 -0.37 -3.90 121.20 121.09 1va9 s ILE 32 Ca 0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 1va9 s ILE 32 Cb -0.00 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 1va9 s ILE 32 CO -0.03 -0.14 0.26 -1.58 0.00 0.00 0.00 174.94 173.44 1va9 s GLN 33 N -0.81 3.76 -0.38 2.79 0.74 0.50 -0.56 119.66 125.70 1va9 s GLN 33 Ca -0.09 -0.39 -0.09 0.00 0.05 0.00 0.00 55.36 54.84 1va9 s GLN 33 Cb -0.04 -3.73 0.05 0.00 1.10 0.00 0.00 33.01 30.39 1va9 s GLN 33 CO 0.04 -0.32 0.20 0.08 -0.55 0.00 0.00 175.29 174.73 1va9 s VAL 34 N 1.83 4.28 -0.09 1.34 1.01 -0.60 -0.98 120.40 127.19 1va9 s VAL 34 Ca 0.08 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1va9 s VAL 34 Cb -0.16 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1va9 s VAL 34 CO 0.11 -0.31 -0.06 0.42 0.00 0.00 0.00 175.10 175.26 1va9 s THR 35 N 1.48 3.72 0.15 3.92 -4.23 -0.92 -1.22 115.64 118.55 1va9 s THR 35 Ca 0.01 -0.46 -0.10 0.00 -1.18 0.00 0.00 61.69 59.97 1va9 s THR 35 Cb -0.20 -2.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.09 1va9 s THR 35 CO 0.04 0.57 0.28 -1.66 -0.54 0.00 0.00 174.62 173.32 1va9 s TRP 36 N -0.52 0.27 0.42 3.99 -2.14 -0.68 -1.86 118.94 118.42 1va9 s TRP 36 Ca 0.08 -0.65 0.07 0.00 2.66 0.00 0.00 56.10 58.26 1va9 s TRP 36 Cb -0.12 -0.01 -0.07 0.00 -3.10 0.00 0.00 33.47 30.17 1va9 s TRP 36 CO 0.02 -0.69 0.03 0.15 -2.66 0.00 0.00 176.95 173.80 1va9 s LYS 37 N -3.93 2.00 0.39 3.25 1.02 0.51 -1.96 119.74 121.01 1va9 s LYS 37 Ca 0.13 -2.11 -0.24 0.00 0.02 0.00 0.00 55.97 53.77 1va9 s LYS 37 Cb 0.03 -1.66 -0.13 0.00 -0.52 0.00 0.00 37.83 35.55 1va9 s LYS 37 CO -0.04 -0.08 0.71 0.00 -0.92 0.00 0.00 175.35 175.03 1va9 n ALA 38 N -1.02 -1.06 -1.53 5.17 0.00 -0.73 -0.92 120.51 120.43 1va9 n ALA 38 Ca -0.06 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1va9 n ALA 38 Cb 0.67 -1.86 0.17 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.63 0.56 0.16 0.00 0.04 -1.26 -3.39 135.00 129.48 1va9 s PRO 39 Ca 0.63 0.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 1va9 s PRO 39 Cb -0.63 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 31.94 1va9 s PRO 39 CO 0.58 -2.55 0.71 1.63 0.04 0.00 0.00 177.00 177.41 1va9 n LYS 40 N -3.96 0.14 -0.05 4.56 4.01 -1.23 -4.85 118.16 116.77 1va9 n LYS 40 Ca 0.10 0.05 -0.13 0.00 -0.51 0.00 0.00 58.31 57.82 1va9 n LYS 40 Cb 0.59 -1.21 -0.07 0.00 -0.51 0.00 0.00 35.03 33.83 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 1.65 0.31 0.00 1.97 1.63 -1.97 -2.47 116.57 117.69 1va9 h LYS 41 Ca -0.35 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1va9 h LYS 41 Cb 1.43 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1va9 h LYS 41 CO 0.60 0.67 0.00 -0.85 -3.45 0.00 0.00 179.45 176.42 1va9 n GLU 42 N -4.62 0.48 -1.93 1.90 0.28 -1.26 -2.69 120.64 112.80 1va9 n GLU 42 Ca -0.06 0.05 -0.28 0.00 -0.16 0.00 0.00 57.16 56.70 1va9 n GLU 42 Cb 0.32 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.72 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 -1.14 5.77 -3.92 -1.84 4.77 -0.93 -4.90 117.00 114.81 1va9 n LEU 43 Ca 0.13 -4.73 -0.30 0.00 -0.03 0.00 0.00 56.01 51.07 1va9 n LEU 43 Cb 0.11 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 1va9 n LEU 43 CO 0.13 1.95 -0.28 -1.10 -1.33 0.00 0.00 177.39 176.77 1va9 s GLN 44 N -3.68 1.49 -0.31 3.23 -0.21 -1.09 -3.88 119.66 115.21 1va9 s GLN 44 Ca 0.54 -2.00 -0.05 0.00 0.02 0.00 0.00 55.36 53.87 1va9 s GLN 44 Cb 0.43 -2.97 -0.13 0.00 1.00 0.00 0.00 33.01 31.34 1va9 s GLN 44 CO -0.05 -1.02 3.25 0.09 -2.12 0.00 0.00 175.29 175.43 1va9 n ASN 45 N 3.93 5.99 0.00 5.90 3.02 -1.26 -4.83 115.26 128.01 1va9 n ASN 45 Ca 0.04 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 1va9 n ASN 45 Cb 0.38 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 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 1.97 2.93 3.06 7.41 0.00 -1.26 -3.93 105.19 115.37 1va9 n GLY 46 Ca 0.48 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1va9 n GLY 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1va9 n VAL 47 N 0.09 0.00 -4.02 1.61 3.14 -1.26 -4.95 118.33 112.93 1va9 n VAL 47 Ca 0.00 -0.43 -0.30 0.00 -2.96 0.00 0.00 64.34 60.65 1va9 n VAL 47 Cb 0.00 -0.09 -0.06 0.00 -1.06 0.00 0.00 33.84 32.64 1va9 n VAL 47 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1va9 s ILE 48 N -2.05 4.75 -0.05 1.55 -1.09 -1.26 -4.80 121.20 118.24 1va9 s ILE 48 Ca 0.42 -0.72 0.08 0.00 -2.23 0.00 0.00 60.65 58.21 1va9 s ILE 48 Cb -0.17 -3.32 -0.12 0.00 -1.58 0.00 0.00 42.46 37.28 1va9 s ILE 48 CO 0.80 0.09 0.11 0.54 -1.23 0.00 0.00 174.94 175.25 1va9 n ARG 49 N 0.29 1.49 0.00 2.79 5.12 -1.19 -4.96 116.66 120.19 1va9 n ARG 49 Ca -0.08 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1va9 n ARG 49 Cb 0.52 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 1va9 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1va9 n GLY 50 N 2.24 -0.65 2.90 -0.13 0.00 -0.92 -3.11 105.19 105.52 1va9 n GLY 50 Ca -0.08 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 0.62 0.56 1.61 1.51 -1.26 0.51 117.35 118.90 1va9 s TYR 51 Ca 0.00 -0.14 -0.14 0.00 -1.01 0.00 0.00 57.07 55.78 1va9 s TYR 51 Cb 0.00 -0.53 -0.06 0.00 -0.11 0.00 0.00 41.96 41.26 1va9 s TYR 51 CO 0.00 -0.13 1.00 -0.65 -1.11 0.00 0.00 175.55 174.66 1va9 s GLN 52 N 0.62 3.78 -0.25 -0.62 -1.52 0.43 -4.12 119.66 117.98 1va9 s GLN 52 Ca -0.08 0.84 -0.02 0.00 -1.95 0.00 0.00 55.36 54.15 1va9 s GLN 52 Cb -0.11 -2.12 0.08 0.00 -0.22 0.00 0.00 33.01 30.64 1va9 s GLN 52 CO -0.00 -0.40 0.07 0.42 -0.25 0.00 0.00 175.29 175.12 1va9 s ILE 53 N -2.88 0.57 -0.15 1.08 1.09 -1.09 -1.45 121.20 118.38 1va9 s ILE 53 Ca 0.57 -0.89 -0.06 0.00 -1.10 0.00 0.00 60.65 59.17 1va9 s ILE 53 Cb -0.10 -1.25 -0.04 0.00 -1.06 0.00 0.00 42.46 40.00 1va9 s ILE 53 CO 0.42 -0.44 0.06 -0.83 -0.10 0.00 0.00 174.94 174.05 1va9 s GLY 54 N 1.80 1.95 -0.10 6.18 0.00 0.50 -2.37 107.32 115.29 1va9 s GLY 54 Ca 0.04 -0.74 -0.18 0.00 0.00 0.00 0.00 44.72 43.84 1va9 s GLY 54 CO -0.18 -0.19 0.45 -2.52 0.00 0.00 0.00 173.10 170.67 1va9 s TYR 55 N -0.23 -0.43 -0.02 1.90 1.13 -1.04 0.19 117.35 118.84 1va9 s TYR 55 Ca 0.08 0.90 -0.25 0.00 -1.41 0.00 0.00 57.07 56.39 1va9 s TYR 55 Cb -0.12 0.19 0.05 0.00 -1.10 0.00 0.00 41.96 40.98 1va9 s TYR 55 CO 0.01 -0.36 0.55 -0.98 -2.51 0.00 0.00 175.55 172.26 1va9 s ARG 56 N -0.55 0.95 -0.11 -3.49 1.70 -0.77 -1.35 118.95 115.34 1va9 s ARG 56 Ca -0.07 0.03 -0.33 0.00 -0.47 0.00 0.00 55.73 54.89 1va9 s ARG 56 Cb -0.03 0.44 -0.11 0.00 -0.57 0.00 0.00 34.95 34.68 1va9 s ARG 56 CO 0.04 -0.30 1.95 -1.91 -1.08 0.00 0.00 175.30 174.00 1va9 n GLU 57 N 0.89 2.15 -1.11 3.89 2.13 -1.26 -2.75 120.64 124.59 1va9 n GLU 57 Ca -0.20 0.76 -0.20 0.00 0.66 0.00 0.00 57.16 58.19 1va9 n GLU 57 Cb 0.57 -2.73 -0.01 0.00 0.27 0.00 0.00 31.44 29.54 1va9 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1va9 n ASN 58 N 7.52 6.37 -4.46 4.31 2.85 -0.50 -4.70 115.26 126.66 1va9 n ASN 58 Ca 0.25 -3.07 -0.27 0.00 -0.11 0.00 0.00 54.58 51.38 1va9 n ASN 58 Cb 0.32 -1.15 -0.11 0.00 1.24 0.00 0.00 39.78 40.08 1va9 n ASN 58 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1va9 s SER 59 N 0.40 3.61 -1.17 1.20 0.01 -1.26 -4.86 113.70 111.63 1va9 s SER 59 Ca 0.43 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 1va9 s SER 59 Cb 0.29 -0.35 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 1va9 s SER 59 CO -0.08 0.11 2.49 -0.81 0.41 0.00 0.00 173.24 175.35 1va9 n PRO 60 N 0.14 2.73 0.00 12.44 -0.04 -1.26 -3.16 135.00 145.84 1va9 n PRO 60 Ca -0.12 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1va9 n PRO 60 Cb 0.56 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1va9 n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1va9 n GLY 61 N 3.64 0.00 0.00 0.55 0.00 -1.26 -5.17 105.19 102.95 1va9 n GLY 61 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 1.01 -0.05 1.61 2.88 -1.19 -5.07 113.62 112.81 1va9 n SER 62 Ca 0.00 -0.78 -0.21 0.00 -1.33 0.00 0.00 58.87 56.55 1va9 n SER 62 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1va9 n SER 62 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1va9 h ASN 63 N 0.00 0.18 0.00 -3.46 2.35 -1.92 -3.50 115.58 109.23 1va9 h ASN 63 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 1va9 h ASN 63 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1va9 h ASN 63 CO 0.00 1.58 0.00 0.61 -1.65 0.00 0.00 177.43 177.97 1va9 n GLY 64 N 1.64 2.38 3.23 2.83 0.00 -1.26 -5.07 105.19 108.94 1va9 n GLY 64 Ca -0.30 -0.70 -0.52 0.00 0.00 0.00 0.00 46.02 44.50 1va9 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va9 n GLN 65 N 0.00 0.00 -2.82 1.61 0.00 -1.26 -4.85 117.38 110.05 1va9 n GLN 65 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.00 56.59 1va9 n GLN 65 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 30.24 28.93 1va9 n GLN 65 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1va9 s TYR 66 N -0.24 3.67 -0.42 2.61 1.51 -1.26 -4.85 117.35 118.36 1va9 s TYR 66 Ca 0.78 1.58 -0.28 0.00 -1.01 0.00 0.00 57.07 58.14 1va9 s TYR 66 Cb -1.10 -3.00 -0.00 0.00 -0.11 0.00 0.00 41.96 37.74 1va9 s TYR 66 CO 0.53 0.07 1.61 -1.12 -1.11 0.00 0.00 175.55 175.53 1va9 s SER 67 N 0.72 6.02 0.01 2.29 0.01 -0.45 -4.75 113.70 117.55 1va9 s SER 67 Ca 0.46 0.87 -0.17 0.00 1.31 0.00 0.00 55.95 58.43 1va9 s SER 67 Cb -0.20 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.43 1va9 s SER 67 CO 0.25 -1.68 0.47 -0.63 0.41 0.00 0.00 173.24 172.06 1va9 s ILE 68 N 6.47 4.95 -0.14 1.44 -1.09 -1.26 -2.51 121.20 129.06 1va9 s ILE 68 Ca 0.68 0.98 -0.02 0.00 -2.23 0.00 0.00 60.65 60.05 1va9 s ILE 68 Cb -0.16 -3.78 0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1va9 s ILE 68 CO 0.31 0.55 0.03 0.68 -1.23 0.00 0.00 174.94 175.27 1va9 s VAL 69 N -0.94 0.42 0.36 2.92 -7.23 -1.00 -4.95 120.40 109.97 1va9 s VAL 69 Ca 0.26 -0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 59.93 1va9 s VAL 69 Cb -0.17 -0.80 -0.10 0.00 0.56 0.00 0.00 36.38 35.87 1va9 s VAL 69 CO 0.15 -0.03 0.95 -0.70 -0.31 0.00 0.00 175.10 175.16 1va9 s GLU 70 N 1.93 4.46 0.24 4.82 -6.30 -1.26 -2.68 118.70 119.90 1va9 s GLU 70 Ca 0.02 1.26 -0.03 0.00 -2.50 0.00 0.00 54.97 53.72 1va9 s GLU 70 Cb -0.15 -2.58 0.01 0.00 0.00 0.00 0.00 34.13 31.41 1va9 s GLU 70 CO -0.07 0.17 0.36 0.00 0.02 0.00 0.00 175.26 175.74 1va9 n MET 71 N 0.14 0.52 -4.30 4.30 0.00 -1.26 -5.04 117.12 111.49 1va9 n MET 71 Ca 0.04 -1.85 -0.26 0.00 0.00 0.00 0.00 57.70 55.63 1va9 n MET 71 Cb 0.51 1.85 -0.09 0.00 0.00 0.00 0.00 33.22 35.49 1va9 n MET 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1va9 s LYS 72 N -2.47 2.06 -0.50 3.17 -2.85 -1.26 -4.19 119.74 113.70 1va9 s LYS 72 Ca 0.18 -1.30 -0.19 0.00 -1.00 0.00 0.00 55.97 53.67 1va9 s LYS 72 Cb -0.01 -2.15 0.05 0.00 -2.06 0.00 0.00 37.83 33.67 1va9 s LYS 72 CO 0.13 0.43 0.63 0.00 0.10 0.00 0.00 175.35 176.63 1va9 s ALA 73 N -1.77 3.38 -2.04 0.59 0.00 -1.18 -4.79 121.76 115.95 1va9 s ALA 73 Ca 0.25 -1.70 0.25 0.00 0.00 0.00 0.00 51.96 50.76 1va9 s ALA 73 Cb -0.08 -3.35 1.42 0.00 0.00 0.00 0.00 23.12 21.12 1va9 s ALA 73 CO 0.15 -1.99 1.92 0.25 0.00 0.00 0.00 175.76 176.10 1va9 n THR 74 N 5.63 0.01 -3.88 0.00 -2.24 -1.26 -4.94 114.28 107.60 1va9 n THR 74 Ca -0.06 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1va9 n THR 74 Cb 0.46 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1va9 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1va9 n GLY 75 N 0.91 -1.03 0.19 3.38 0.00 -1.26 -4.97 105.19 102.41 1va9 n GLY 75 Ca 0.19 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 0.56 -3.15 1.61 5.19 -1.98 -3.42 116.42 115.23 1va9 h ASP 76 Ca 0.00 -0.18 -0.60 0.00 -0.62 0.00 0.00 57.03 55.63 1va9 h ASP 76 Cb 0.00 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.29 1va9 h ASP 76 CO 0.00 0.59 -0.24 -0.94 -3.12 0.00 0.00 179.24 175.53 1va9 s SER 77 N -5.88 6.65 0.09 6.45 1.04 -1.26 -1.78 113.70 119.01 1va9 s SER 77 Ca -0.13 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.11 1va9 s SER 77 Cb 0.10 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.96 1va9 s SER 77 CO 0.75 0.19 -0.12 -1.61 0.98 0.00 0.00 173.24 173.44 1va9 s GLU 78 N -0.22 0.85 -0.02 4.02 0.41 -0.83 -4.71 118.70 118.20 1va9 s GLU 78 Ca 0.22 -1.09 -0.10 0.00 -0.41 0.00 0.00 54.97 53.58 1va9 s GLU 78 Cb -0.15 -0.65 0.01 0.00 -1.78 0.00 0.00 34.13 31.57 1va9 s GLU 78 CO 0.09 0.12 0.21 0.54 -0.49 0.00 0.00 175.26 175.73 1va9 s VAL 79 N -2.04 0.06 -0.11 2.63 0.11 -1.26 -1.68 120.40 118.11 1va9 s VAL 79 Ca 0.03 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 1va9 s VAL 79 Cb -0.05 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.37 1va9 s VAL 79 CO 0.01 -0.29 0.23 -0.47 -3.33 0.00 0.00 175.10 171.26 1va9 s TYR 80 N -1.16 -0.34 -0.69 1.54 6.14 -0.35 -4.98 117.35 117.49 1va9 s TYR 80 Ca -0.12 0.84 -0.22 0.00 0.64 0.00 0.00 57.07 58.21 1va9 s TYR 80 Cb -0.06 -0.06 0.08 0.00 0.42 0.00 0.00 41.96 42.34 1va9 s TYR 80 CO 0.02 -0.30 0.96 0.99 0.64 0.00 0.00 175.55 177.86 1va9 s THR 81 N 2.08 4.43 -0.49 4.34 2.01 -1.26 -1.55 115.64 125.20 1va9 s THR 81 Ca -0.01 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 1va9 s THR 81 Cb -0.12 -4.68 0.00 0.00 0.01 0.00 0.00 72.50 67.72 1va9 s THR 81 CO -0.08 -1.43 1.51 -0.76 -0.69 0.00 0.00 174.62 173.16 1va9 s LEU 82 N 3.72 3.46 0.46 4.42 1.43 0.28 -4.81 118.68 127.63 1va9 s LEU 82 Ca 0.23 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.98 1va9 s LEU 82 Cb -0.16 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.88 1va9 s LEU 82 CO 0.07 -1.70 0.63 1.51 0.23 0.00 0.00 176.35 177.09 1va9 s ASP 83 N 4.87 5.53 -0.22 2.29 1.47 -1.26 -1.24 116.67 128.11 1va9 s ASP 83 Ca 0.60 -0.42 -0.01 0.00 1.18 0.00 0.00 52.55 53.90 1va9 s ASP 83 Cb -0.13 -0.57 -0.01 0.00 -0.34 0.00 0.00 42.92 41.87 1va9 s ASP 83 CO 0.28 -0.89 0.19 -3.20 0.68 0.00 0.00 175.17 172.23 1va9 n ASN 84 N -1.97 -2.92 -4.40 2.11 2.85 -0.30 -4.92 115.26 105.71 1va9 n ASN 84 Ca 0.09 -0.15 -0.30 0.00 -0.11 0.00 0.00 54.58 54.11 1va9 n ASN 84 Cb 0.59 -1.48 -0.07 0.00 1.24 0.00 0.00 39.78 40.07 1va9 n ASN 84 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1va9 n LEU 85 N -1.85 0.00 -4.97 1.20 4.77 -1.12 -5.00 117.00 110.04 1va9 n LEU 85 Ca -0.02 -3.10 -0.21 0.00 -0.03 0.00 0.00 56.01 52.65 1va9 n LEU 85 Cb 0.53 0.53 0.02 0.00 -2.33 0.00 0.00 43.42 42.17 1va9 n LEU 85 CO 0.12 -0.45 0.28 -0.75 -1.33 0.00 0.00 177.39 175.26 1va9 s LYS 86 N -3.72 2.80 0.08 3.23 2.20 -1.26 -4.67 119.74 118.40 1va9 s LYS 86 Ca 0.06 -0.78 -0.27 0.00 -0.36 0.00 0.00 55.97 54.62 1va9 s LYS 86 Cb 0.00 -2.58 -0.06 0.00 -1.51 0.00 0.00 37.83 33.68 1va9 s LYS 86 CO 0.04 -0.43 0.85 0.15 -0.36 0.00 0.00 175.35 175.60 1va9 s LYS 87 N -4.58 4.59 -0.63 4.03 1.02 -1.26 -4.21 119.74 118.70 1va9 s LYS 87 Ca 0.53 1.24 -0.10 0.00 0.02 0.00 0.00 55.97 57.66 1va9 s LYS 87 Cb -0.10 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1va9 s LYS 87 CO 0.37 0.26 0.40 0.34 -0.92 0.00 0.00 175.35 175.80 1va9 n PHE 88 N 2.76 -1.11 -4.26 3.18 7.35 -0.89 -4.91 117.46 119.57 1va9 n PHE 88 Ca -0.00 0.32 -0.17 0.00 -0.76 0.00 0.00 57.45 56.83 1va9 n PHE 88 Cb 0.50 -1.75 -0.14 0.00 0.35 0.00 0.00 39.48 38.44 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 -3.23 0.76 -0.32 3.13 0.00 -1.26 -4.81 121.76 116.03 1va9 s ALA 89 Ca 0.13 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1va9 s ALA 89 Cb -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1va9 s ALA 89 CO 0.60 0.14 1.43 -1.14 0.00 0.00 0.00 175.76 176.78 1va9 s GLN 90 N -0.71 3.75 -0.15 0.00 0.74 -1.26 -2.90 119.66 119.13 1va9 s GLN 90 Ca -0.00 1.24 0.02 0.00 0.05 0.00 0.00 55.36 56.67 1va9 s GLN 90 Cb -0.06 -3.97 0.01 0.00 1.10 0.00 0.00 33.01 30.09 1va9 s GLN 90 CO 0.00 -1.34 -0.21 0.71 -0.55 0.00 0.00 175.29 173.91 1va9 s TYR 91 N 5.01 2.64 -0.13 1.67 1.51 -1.26 -1.41 117.35 125.37 1va9 s TYR 91 Ca 0.62 -1.38 -0.15 0.00 -1.01 0.00 0.00 57.07 55.15 1va9 s TYR 91 Cb -0.18 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1va9 s TYR 91 CO 0.28 -0.65 0.36 0.20 -1.11 0.00 0.00 175.55 174.63 1va9 s GLY 92 N 0.93 2.29 0.17 0.71 0.00 -1.11 -3.15 107.32 107.16 1va9 s GLY 92 Ca -0.04 -0.35 0.10 0.00 0.00 0.00 0.00 44.72 44.42 1va9 s GLY 92 CO -0.04 0.50 -0.21 0.14 0.00 0.00 0.00 173.10 173.48 1va9 s VAL 93 N 0.35 2.04 -0.10 1.40 1.01 -1.22 -1.85 120.40 122.02 1va9 s VAL 93 Ca 0.20 -1.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1va9 s VAL 93 Cb -0.14 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.36 1va9 s VAL 93 CO 0.07 -0.19 0.17 0.68 0.00 0.00 0.00 175.10 175.83 1va9 s VAL 94 N -1.76 -0.27 0.03 2.92 -7.23 0.49 -3.25 120.40 111.32 1va9 s VAL 94 Ca 0.17 0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 60.61 1va9 s VAL 94 Cb -0.07 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1va9 s VAL 94 CO 0.08 0.10 0.20 -0.69 -0.31 0.00 0.00 175.10 174.48 1va9 s VAL 95 N 2.30 5.41 -0.13 1.32 1.01 -1.26 -0.37 120.40 128.68 1va9 s VAL 95 Ca 0.03 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1va9 s VAL 95 Cb -0.12 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1va9 s VAL 95 CO -0.07 0.23 0.48 0.00 0.00 0.00 0.00 175.10 175.74 1va9 s GLN 96 N -2.22 0.66 -0.13 2.72 -2.07 -0.53 -1.36 119.66 116.73 1va9 s GLN 96 Ca 0.31 0.43 -0.19 0.00 -1.82 0.00 0.00 55.36 54.09 1va9 s GLN 96 Cb -0.13 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 1va9 s GLN 96 CO 0.23 -0.13 0.51 0.00 -1.32 0.00 0.00 175.29 174.59 1va9 s ALA 97 N -0.29 3.47 -0.04 2.60 0.00 -1.26 0.16 121.76 126.40 1va9 s ALA 97 Ca -0.04 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.78 1va9 s ALA 97 Cb -0.03 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1va9 s ALA 97 CO 0.03 -0.09 -0.18 -0.59 0.00 0.00 0.00 175.76 174.92 1va9 s PHE 98 N 0.83 1.77 0.46 0.00 -0.12 0.18 -0.14 117.98 120.96 1va9 s PHE 98 Ca 0.27 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1va9 s PHE 98 Cb -0.15 -1.18 -0.02 0.00 -0.63 0.00 0.00 43.02 41.03 1va9 s PHE 98 CO 0.11 -0.14 0.06 0.54 -0.05 0.00 0.00 175.22 175.74 1va9 s ASN 99 N -0.09 3.52 0.62 1.98 2.20 0.41 -2.16 114.94 121.42 1va9 s ASN 99 Ca -0.01 -1.64 0.33 0.00 -0.94 0.00 0.00 52.86 50.60 1va9 s ASN 99 Cb -0.11 0.44 1.90 0.00 -2.00 0.00 0.00 41.25 41.48 1va9 s ASN 99 CO 0.02 -0.85 2.19 0.03 -2.94 0.00 0.00 177.10 175.54 1va9 h ARG 100 N 1.58 0.00 0.00 3.55 2.47 -1.96 0.56 114.38 120.58 1va9 h ARG 100 Ca -0.40 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.28 1va9 h ARG 100 Cb 1.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 1va9 h ARG 100 CO 0.67 0.00 -0.17 0.00 0.56 0.00 0.00 179.97 181.04 1va9 h ALA 101 N 1.83 0.97 0.00 0.04 0.00 -1.88 -3.49 119.26 116.73 1va9 h ALA 101 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1va9 h ALA 101 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1va9 h ALA 101 CO -0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1va9 n GLY 102 N 0.42 0.35 3.50 0.00 0.00 0.20 -3.07 105.19 106.59 1va9 n GLY 102 Ca 0.01 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.24 3.07 0.84 2.61 2.01 -1.26 0.16 115.64 119.83 1va9 s THR 103 Ca 0.00 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.91 1va9 s THR 103 Cb 0.00 -2.30 0.16 0.00 0.01 0.00 0.00 72.50 70.37 1va9 s THR 103 CO 0.00 0.39 1.15 -0.83 -0.69 0.00 0.00 174.62 174.64 1va9 s GLY 104 N -1.34 1.77 0.61 4.40 0.00 0.80 -4.44 107.32 109.11 1va9 s GLY 104 Ca 0.15 -1.44 -0.15 0.00 0.00 0.00 0.00 44.72 43.28 1va9 s GLY 104 CO 0.05 -0.78 1.05 2.56 0.00 0.00 0.00 173.10 175.98 1va9 s PRO 105 N -5.51 3.30 0.58 2.90 0.04 -1.26 -4.72 135.00 130.33 1va9 s PRO 105 Ca 0.70 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 1va9 s PRO 105 Cb -0.05 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1va9 s PRO 105 CO 0.49 -0.82 1.07 -1.54 0.04 0.00 0.00 177.00 176.23 1va9 s SER 106 N -3.06 5.80 0.83 6.66 1.04 -1.26 -4.18 113.70 119.52 1va9 s SER 106 Ca 0.62 1.90 -0.11 0.00 0.48 0.00 0.00 55.95 58.84 1va9 s SER 106 Cb -0.15 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.55 1va9 s SER 106 CO 0.41 -1.16 1.17 -0.94 0.98 0.00 0.00 173.24 173.70 1va9 s SER 107 N -2.49 4.05 -0.14 7.02 1.04 -0.46 -4.77 113.70 117.95 1va9 s SER 107 Ca 0.66 0.36 -0.30 0.00 0.48 0.00 0.00 55.95 57.15 1va9 s SER 107 Cb -0.17 -0.72 -0.08 0.00 0.10 0.00 0.00 66.02 65.15 1va9 s SER 107 CO 0.33 -2.12 2.10 -1.20 0.98 0.00 0.00 173.24 173.32 1va9 n SER 108 N -3.32 3.44 -4.59 7.02 7.64 -1.26 -4.76 113.62 117.79 1va9 n SER 108 Ca 0.12 0.55 -0.49 0.00 1.01 0.00 0.00 58.87 60.05 1va9 n SER 108 Cb 0.60 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.27 1va9 n SER 108 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1va9 n GLU 109 N 8.03 1.23 -3.16 1.43 2.13 -1.26 -4.95 120.64 124.08 1va9 n GLU 109 Ca 0.27 0.44 -0.13 0.00 0.66 0.00 0.00 57.16 58.40 1va9 n GLU 109 Cb 0.39 -1.98 -0.03 0.00 0.27 0.00 0.00 31.44 30.09 1va9 n GLU 109 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1va9 n ILE 110 N 1.74 0.00 -3.72 6.31 -5.35 -1.20 -5.01 119.36 112.12 1va9 n ILE 110 Ca 0.15 -1.10 -0.10 0.00 -0.27 0.00 0.00 62.75 61.43 1va9 n ILE 110 Cb 0.24 0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 38.41 1va9 n ILE 110 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1va9 s ASN 111 N -2.21 -0.16 -0.31 7.28 2.20 -1.26 -3.43 114.94 117.05 1va9 s ASN 111 Ca 0.05 -0.46 -0.07 0.00 -0.94 0.00 0.00 52.86 51.45 1va9 s ASN 111 Cb 0.00 0.47 0.19 0.00 -2.00 0.00 0.00 41.25 39.91 1va9 s ASN 111 CO 0.04 -0.88 0.94 0.00 -2.94 0.00 0.00 177.10 174.26 1va9 s ALA 112 N -3.84 -3.73 -0.17 3.54 0.00 -1.19 -4.74 121.76 111.63 1va9 s ALA 112 Ca 0.06 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 1va9 s ALA 112 Cb 0.02 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 1va9 s ALA 112 CO -0.09 -2.14 1.86 0.99 0.00 0.00 0.00 175.76 176.38 1va9 s THR 113 N 2.67 3.36 0.98 0.00 2.01 -1.26 -4.16 115.64 119.24 1va9 s THR 113 Ca 0.21 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 1va9 s THR 113 Cb -0.02 -3.38 0.13 0.00 0.01 0.00 0.00 72.50 69.24 1va9 s THR 113 CO -0.21 -0.16 0.14 0.35 -0.69 0.00 0.00 174.62 174.05 1va9 n THR 114 N 6.63 0.00 -2.60 -0.82 -2.24 -1.14 -4.75 114.28 109.36 1va9 n THR 114 Ca 0.22 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.56 1va9 n THR 114 Cb 0.44 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 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 1.10 4.37 0.00 3.22 1.43 -1.22 -3.66 118.68 123.92 1va9 s LEU 115 Ca 0.36 2.05 0.25 0.00 -1.03 0.00 0.00 54.13 55.76 1va9 s LEU 115 Cb -0.05 -3.91 0.51 0.00 0.03 0.00 0.00 46.19 42.77 1va9 s LEU 115 CO 0.37 -0.22 1.42 -1.84 0.23 0.00 0.00 176.35 176.31 1va9 n GLU 116 N 0.63 1.25 -3.65 1.70 0.00 -1.26 -2.10 120.64 117.21 1va9 n GLU 116 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 57.16 56.31 1va9 n GLU 116 Cb 0.48 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 30.37 1va9 n GLU 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1va9 s SER 117 N -2.36 -0.01 0.48 -1.84 0.15 -1.26 -4.89 113.70 103.97 1va9 s SER 117 Ca 0.25 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1va9 s SER 117 Cb 0.19 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1va9 s SER 117 CO 0.48 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.53 1va9 n GLY 118 N 2.53 -3.56 0.00 9.45 0.00 -1.26 -4.97 105.19 107.37 1va9 n GLY 118 Ca -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1va9 n GLY 118 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1va9 n PRO 119 N -3.02 -0.30 -3.69 1.61 -0.04 -1.26 -4.63 135.00 123.66 1va9 n PRO 119 Ca -0.03 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.04 1va9 n PRO 119 Cb 0.45 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 1va9 n PRO 119 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1va9 s SER 120 N -1.25 5.45 -0.43 3.54 0.15 0.48 -4.92 113.70 116.73 1va9 s SER 120 Ca 0.00 -1.26 -0.09 0.00 0.70 0.00 0.00 55.95 55.30 1va9 s SER 120 Cb 0.00 -1.92 0.09 0.00 -1.71 0.00 0.00 66.02 62.48 1va9 s SER 120 CO 0.00 -0.40 0.28 -0.55 1.20 0.00 0.00 173.24 173.77 1va9 s SER 121 N 1.63 5.62 0.00 5.45 0.15 -1.26 -4.90 113.70 120.39 1va9 s SER 121 Ca 0.00 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.01 1va9 s SER 121 Cb -0.21 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1va9 s SER 121 CO 0.03 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.50