#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 -0.26 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.37 1va9 s SER 2 Ca 0.00 -0.12 -0.31 0.00 0.48 0.00 0.00 55.95 55.99 1va9 s SER 2 Cb 0.00 0.44 0.19 0.00 0.10 0.00 0.00 66.02 66.74 1va9 s SER 2 CO 0.00 -0.73 1.39 -0.94 0.98 0.00 0.00 173.24 173.94 1va9 s SER 3 N -2.28 -0.01 0.00 7.02 1.04 -1.26 -5.19 113.70 113.02 1va9 s SER 3 Ca -0.02 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1va9 s SER 3 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1va9 s SER 3 CO -0.06 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1va9 n GLY 4 N 0.38 2.65 3.35 7.32 0.00 -1.26 -5.17 105.19 112.46 1va9 n GLY 4 Ca 0.02 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 2.40 0.15 1.61 0.15 -1.26 -5.16 113.70 111.59 1va9 s SER 5 Ca 0.00 -1.09 0.04 0.00 0.70 0.00 0.00 55.95 55.59 1va9 s SER 5 Cb 0.00 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1va9 s SER 5 CO 0.00 -0.29 -0.08 -0.94 1.20 0.00 0.00 173.24 173.13 1va9 s SER 6 N -3.33 1.69 0.00 5.45 1.04 -1.26 -5.13 113.70 112.16 1va9 s SER 6 Ca 0.24 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1va9 s SER 6 Cb 0.02 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1va9 s SER 6 CO 0.08 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1va9 n GLY 7 N -0.21 2.15 3.81 7.32 0.00 -1.26 -5.09 105.19 111.90 1va9 n GLY 7 Ca -0.10 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 1va9 n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1va9 s ILE 8 N -1.53 5.04 -1.04 -0.61 -0.00 -1.26 -5.01 121.20 116.79 1va9 s ILE 8 Ca 0.00 0.88 -0.03 0.00 -0.00 0.00 0.00 60.65 61.50 1va9 s ILE 8 Cb 0.00 -3.74 0.31 0.00 -0.00 0.00 0.00 42.46 39.02 1va9 s ILE 8 CO 0.00 0.52 1.49 -1.20 -0.00 0.00 0.00 174.94 175.75 1va9 n SER 9 N 2.22 6.40 0.00 4.36 7.64 -1.26 -4.95 113.62 128.03 1va9 n SER 9 Ca -0.12 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.29 1va9 n SER 9 Cb 0.52 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 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 1.06 0.00 -3.53 0.44 -1.04 -1.26 -5.14 114.28 104.81 1va9 n THR 10 Ca 0.29 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.30 1va9 n THR 10 Cb 0.33 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.79 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 3.56 0.39 0.39 -2.82 1.03 -1.26 -5.18 118.70 114.82 1va9 s GLU 11 Ca 0.00 0.85 0.08 0.00 0.03 0.00 0.00 54.97 55.93 1va9 s GLU 11 Cb 0.00 0.37 -0.07 0.00 -0.80 0.00 0.00 34.13 33.63 1va9 s GLU 11 CO 0.00 -0.11 0.01 -1.21 -1.33 0.00 0.00 175.26 172.61 1va9 s GLU 12 N 2.11 1.97 0.01 -4.83 8.01 -1.26 -5.01 118.70 119.70 1va9 s GLU 12 Ca -0.06 -2.01 0.03 0.00 0.01 0.00 0.00 54.97 52.95 1va9 s GLU 12 Cb -0.06 -1.72 -0.01 0.00 -4.31 0.00 0.00 34.13 28.03 1va9 s GLU 12 CO -0.17 0.00 -0.10 0.00 0.01 0.00 0.00 175.26 175.00 1va9 s ALA 13 N -2.66 0.79 0.61 5.21 0.00 -1.03 -4.72 121.76 119.96 1va9 s ALA 13 Ca 0.35 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1va9 s ALA 13 Cb 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 1va9 s ALA 13 CO 0.18 0.15 0.26 0.00 0.00 0.00 0.00 175.76 176.35 1va9 n ALA 14 N 2.36 -2.04 -2.35 0.00 0.00 -1.26 -4.61 120.51 112.61 1va9 n ALA 14 Ca -0.16 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1va9 n ALA 14 Cb 0.56 -1.67 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.90 3.50 -0.26 0.00 0.04 -1.26 -4.78 135.00 130.33 1va9 s PRO 15 Ca 0.63 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.46 1va9 s PRO 15 Cb -0.43 -4.06 -0.12 0.00 0.04 0.00 0.00 34.50 29.94 1va9 s PRO 15 CO 0.60 -1.67 3.23 -0.25 0.04 0.00 0.00 177.00 178.95 1va9 n ASP 16 N 9.08 5.91 0.00 6.66 8.00 -1.17 -3.59 116.55 141.44 1va9 n ASP 16 Ca 0.16 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.86 1va9 n ASP 16 Cb 0.48 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1va9 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1va9 n GLY 17 N 1.85 1.49 3.79 0.44 0.00 -1.26 -4.86 105.19 106.63 1va9 n GLY 17 Ca 0.47 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.85 1.33 0.60 1.61 0.04 -1.25 -4.54 135.00 131.94 1va9 s PRO 18 Ca 0.00 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.25 1va9 s PRO 18 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1va9 s PRO 18 CO 0.00 -2.08 1.05 -1.25 0.04 0.00 0.00 177.00 174.76 1va9 s PRO 19 N -5.26 3.33 0.55 0.56 0.04 -1.26 -4.38 135.00 128.58 1va9 s PRO 19 Ca 0.63 1.15 0.09 0.00 0.04 0.00 0.00 61.00 62.91 1va9 s PRO 19 Cb -0.15 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.42 1va9 s PRO 19 CO 0.53 -0.79 0.70 -1.64 0.04 0.00 0.00 177.00 175.84 1va9 s MET 20 N -4.20 2.37 -1.38 4.56 -1.94 -0.99 -4.45 119.30 113.27 1va9 s MET 20 Ca 0.62 -1.64 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1va9 s MET 20 Cb -0.15 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.11 1va9 s MET 20 CO 0.39 -0.73 0.00 -3.47 -0.01 0.00 0.00 175.02 171.19 1va9 n ASP 21 N -2.11 -4.37 -4.61 3.03 -0.08 -1.26 0.16 116.55 107.31 1va9 n ASP 21 Ca 0.12 0.20 -0.43 0.00 -1.51 0.00 0.00 54.79 53.17 1va9 n ASP 21 Cb 0.62 -3.77 -0.02 0.00 2.34 0.00 0.00 41.12 40.28 1va9 n ASP 21 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1va9 s VAL 22 N -2.61 4.00 -0.04 5.18 1.01 -1.22 -3.26 120.40 123.45 1va9 s VAL 22 Ca 0.00 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 1va9 s VAL 22 Cb 0.00 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.16 1va9 s VAL 22 CO 0.00 -0.75 0.44 0.28 0.00 0.00 0.00 175.10 175.07 1va9 s THR 23 N 5.08 0.04 0.32 3.92 -1.32 -0.84 -4.96 115.64 117.88 1va9 s THR 23 Ca 0.58 -0.29 0.06 0.00 -1.21 0.00 0.00 61.69 60.83 1va9 s THR 23 Cb -0.13 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 1va9 s THR 23 CO 0.31 -0.16 0.45 -0.76 -2.21 0.00 0.00 174.62 172.24 1va9 s LEU 24 N -1.18 3.98 -0.30 9.08 1.43 -1.26 -2.37 118.68 128.06 1va9 s LEU 24 Ca -0.12 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1va9 s LEU 24 Cb -0.03 -2.73 0.16 0.00 0.03 0.00 0.00 46.19 43.62 1va9 s LEU 24 CO 0.06 -0.39 0.88 -1.58 0.23 0.00 0.00 176.35 175.55 1va9 s GLN 25 N -4.14 0.37 -0.13 1.70 0.74 -0.24 -4.95 119.66 113.01 1va9 s GLN 25 Ca 0.44 0.91 -0.29 0.00 0.05 0.00 0.00 55.36 56.46 1va9 s GLN 25 Cb -0.09 0.55 -0.02 0.00 1.10 0.00 0.00 33.01 34.54 1va9 s GLN 25 CO 0.31 -0.16 1.26 -1.25 -0.55 0.00 0.00 175.29 174.90 1va9 s PRO 26 N 2.62 4.26 -0.10 1.67 0.04 -1.26 0.20 135.00 142.43 1va9 s PRO 26 Ca -0.02 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1va9 s PRO 26 Cb -0.08 -3.72 -0.09 0.00 0.04 0.00 0.00 34.50 30.65 1va9 s PRO 26 CO -0.18 -0.65 -0.04 1.33 0.04 0.00 0.00 177.00 177.50 1va9 n VAL 27 N 5.19 0.62 -3.91 -0.36 0.24 -1.25 -4.91 118.33 113.95 1va9 n VAL 27 Ca 0.13 -0.30 -0.01 0.00 -2.04 0.00 0.00 64.34 62.12 1va9 n VAL 27 Cb 0.45 -0.84 -0.00 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.60 0.00 0.08 3.34 -2.24 -1.25 -5.04 114.28 106.57 1va9 n THR 28 Ca -0.17 -0.10 0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1va9 n THR 28 Cb 0.74 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.25 0.81 -2.65 3.42 7.64 -1.26 -4.29 113.62 116.05 1va9 n SER 29 Ca -0.01 0.32 -0.10 0.00 1.01 0.00 0.00 58.87 60.10 1va9 n SER 29 Cb 0.03 0.45 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.71 1.67 -3.66 1.43 6.02 -1.26 -4.37 117.38 114.49 1va9 n GLN 30 Ca -0.03 -3.51 -0.04 0.00 -0.01 0.00 0.00 57.00 53.41 1va9 n GLN 30 Cb 0.62 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.37 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 -3.34 -0.21 -0.12 1.08 0.15 -1.26 -0.95 113.70 109.05 1va9 s SER 31 Ca 0.31 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 1va9 s SER 31 Cb 0.42 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 65.17 1va9 s SER 31 CO -0.01 -0.73 0.39 -0.63 1.20 0.00 0.00 173.24 173.47 1va9 s ILE 32 N -3.10 0.01 -0.22 6.45 1.01 -0.58 -3.85 121.20 120.91 1va9 s ILE 32 Ca 0.10 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 1va9 s ILE 32 Cb -0.01 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 1va9 s ILE 32 CO -0.02 -0.05 0.47 -1.58 0.00 0.00 0.00 174.94 173.76 1va9 s GLN 33 N -0.12 4.14 -0.16 2.79 0.74 0.53 -1.77 119.66 125.81 1va9 s GLN 33 Ca -0.03 0.29 -0.02 0.00 0.05 0.00 0.00 55.36 55.65 1va9 s GLN 33 Cb -0.03 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 1va9 s GLN 33 CO 0.02 -0.18 -0.08 0.08 -0.55 0.00 0.00 175.29 174.58 1va9 s VAL 34 N 1.74 3.43 0.04 1.34 1.01 -1.11 -1.08 120.40 125.76 1va9 s VAL 34 Ca 0.21 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1va9 s VAL 34 Cb -0.15 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1va9 s VAL 34 CO 0.09 0.49 -0.15 0.42 0.00 0.00 0.00 175.10 175.95 1va9 s THR 35 N 0.56 1.19 0.23 3.92 -4.23 -1.00 -2.11 115.64 114.20 1va9 s THR 35 Ca -0.05 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.19 1va9 s THR 35 Cb -0.15 -1.08 0.04 0.00 1.34 0.00 0.00 72.50 72.65 1va9 s THR 35 CO 0.03 0.01 0.65 -1.66 -0.54 0.00 0.00 174.62 173.11 1va9 s TRP 36 N -0.88 -0.29 0.48 3.99 -2.14 -1.00 -1.99 118.94 117.11 1va9 s TRP 36 Ca 0.02 -0.07 0.02 0.00 2.66 0.00 0.00 56.10 58.74 1va9 s TRP 36 Cb -0.08 0.61 -0.02 0.00 -3.10 0.00 0.00 33.47 30.88 1va9 s TRP 36 CO 0.01 -1.06 0.02 0.15 -2.66 0.00 0.00 176.95 173.42 1va9 s LYS 37 N -3.86 2.13 0.25 3.25 1.02 0.41 -2.34 119.74 120.60 1va9 s LYS 37 Ca 0.08 -2.34 -0.31 0.00 0.02 0.00 0.00 55.97 53.42 1va9 s LYS 37 Cb -0.04 -1.38 -0.14 0.00 -0.52 0.00 0.00 37.83 35.75 1va9 s LYS 37 CO -0.01 -0.35 1.31 0.00 -0.92 0.00 0.00 175.35 175.38 1va9 n ALA 38 N -1.18 0.75 -2.30 5.17 0.00 -0.60 -2.35 120.51 119.99 1va9 n ALA 38 Ca -0.16 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 1va9 n ALA 38 Cb 0.67 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.77 2.93 0.65 0.00 0.04 -1.26 -4.05 135.00 132.55 1va9 s PRO 39 Ca 0.66 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1va9 s PRO 39 Cb -0.67 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.60 1va9 s PRO 39 CO 0.53 -2.41 0.00 1.63 0.04 0.00 0.00 177.00 176.79 1va9 n LYS 40 N 9.26 0.00 -0.02 4.56 4.01 -1.26 -3.09 118.16 131.62 1va9 n LYS 40 Ca 0.12 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.88 1va9 n LYS 40 Cb 0.50 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.01 1va9 n LYS 40 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1va9 n LYS 41 N -0.64 0.08 0.00 1.97 3.00 -1.26 -4.28 118.16 117.03 1va9 n LYS 41 Ca 0.00 0.03 0.12 0.00 -0.00 0.00 0.00 58.31 58.47 1va9 n LYS 41 Cb 0.00 -0.66 0.66 0.00 0.00 0.00 0.00 35.03 35.03 1va9 n LYS 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1va9 n GLU 42 N -3.13 0.47 -0.09 1.64 0.28 -1.26 -2.67 120.64 115.87 1va9 n GLU 42 Ca -0.07 0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.85 1va9 n GLU 42 Cb 0.55 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.77 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 -1.22 0.81 -0.33 -1.84 4.77 -1.26 -4.31 117.00 113.62 1va9 n LEU 43 Ca 0.14 0.03 0.28 0.00 -0.03 0.00 0.00 56.01 56.42 1va9 n LEU 43 Cb 0.17 0.11 0.53 0.00 -2.33 0.00 0.00 43.42 41.90 1va9 n LEU 43 CO 0.18 0.59 1.10 1.56 -1.33 0.00 0.00 177.39 179.49 1va9 h GLN 44 N 0.00 0.18 -6.80 3.23 4.20 -1.44 -3.09 115.11 111.40 1va9 h GLN 44 Ca -0.52 -0.01 -0.56 0.00 0.06 0.00 0.00 58.65 57.62 1va9 h GLN 44 Cb 2.14 -0.04 -0.18 0.00 0.30 0.00 0.00 27.48 29.70 1va9 h GLN 44 CO 0.01 0.12 -0.89 0.09 -0.67 0.00 0.00 178.83 177.50 1va9 n ASN 45 N -5.12 -1.28 0.00 1.46 3.02 -1.26 -4.50 115.26 107.58 1va9 n ASN 45 Ca 0.34 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1va9 n ASN 45 Cb 1.12 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.83 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 -1.79 2.20 3.13 7.41 0.00 -1.26 -2.46 105.19 112.41 1va9 n GLY 46 Ca -0.13 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 1va9 n GLY 46 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1va9 n VAL 47 N 0.83 0.00 -4.63 1.61 0.24 -1.26 -5.01 118.33 110.12 1va9 n VAL 47 Ca 0.00 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.34 61.93 1va9 n VAL 47 Cb 0.00 -0.59 -0.14 0.00 -1.47 0.00 0.00 33.84 31.64 1va9 n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1va9 s ILE 48 N -2.13 1.64 -0.13 1.34 -1.09 -1.26 -4.91 121.20 114.65 1va9 s ILE 48 Ca 0.47 -1.19 0.21 0.00 -2.23 0.00 0.00 60.65 57.91 1va9 s ILE 48 Cb -0.09 -1.42 -0.18 0.00 -1.58 0.00 0.00 42.46 39.19 1va9 s ILE 48 CO 0.47 0.19 0.70 0.54 -1.23 0.00 0.00 174.94 175.62 1va9 n ARG 49 N 1.85 0.64 -3.90 2.79 5.12 -1.21 -4.81 116.66 117.13 1va9 n ARG 49 Ca -0.17 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1va9 n ARG 49 Cb 0.53 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 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 1.30 -2.33 3.12 -0.13 0.00 -0.98 -3.40 105.19 102.77 1va9 n GLY 50 Ca -0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.32 0.76 -0.18 1.61 1.51 -1.26 0.48 117.35 117.96 1va9 s TYR 51 Ca 0.00 -0.79 -0.07 0.00 -1.01 0.00 0.00 57.07 55.19 1va9 s TYR 51 Cb 0.00 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1va9 s TYR 51 CO 0.00 -0.16 0.07 -0.65 -1.11 0.00 0.00 175.55 173.70 1va9 s GLN 52 N -3.08 3.94 -0.42 -0.62 -0.21 0.29 -3.85 119.66 115.71 1va9 s GLN 52 Ca 0.04 -0.33 -0.05 0.00 0.02 0.00 0.00 55.36 55.04 1va9 s GLN 52 Cb 0.00 -3.21 0.11 0.00 1.00 0.00 0.00 33.01 30.91 1va9 s GLN 52 CO -0.04 0.31 0.23 0.42 -2.12 0.00 0.00 175.29 174.10 1va9 s ILE 53 N 0.26 3.54 -0.14 1.08 1.09 -1.17 -1.80 121.20 124.06 1va9 s ILE 53 Ca 0.04 -1.93 -0.06 0.00 -1.10 0.00 0.00 60.65 57.60 1va9 s ILE 53 Cb -0.12 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 37.87 1va9 s ILE 53 CO 0.00 -0.67 0.09 -0.83 -0.10 0.00 0.00 174.94 173.43 1va9 s GLY 54 N 2.01 2.02 -0.09 6.18 0.00 -0.49 -2.68 107.32 114.27 1va9 s GLY 54 Ca 0.07 -0.70 -0.18 0.00 0.00 0.00 0.00 44.72 43.90 1va9 s GLY 54 CO -0.03 -0.25 0.44 -2.52 0.00 0.00 0.00 173.10 170.74 1va9 s TYR 55 N -0.49 -0.41 0.11 1.90 1.13 -1.13 0.24 117.35 118.70 1va9 s TYR 55 Ca 0.11 0.85 -0.20 0.00 -1.41 0.00 0.00 57.07 56.42 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 0.02 -0.36 0.50 -0.98 -2.51 0.00 0.00 175.55 172.21 1va9 s ARG 56 N -0.61 1.13 0.52 -3.49 1.70 -1.08 -1.89 118.95 115.24 1va9 s ARG 56 Ca -0.07 -0.50 -0.22 0.00 -0.47 0.00 0.00 55.73 54.47 1va9 s ARG 56 Cb -0.03 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.79 1va9 s ARG 56 CO 0.04 -0.45 1.26 -1.91 -1.08 0.00 0.00 175.30 173.16 1va9 n GLU 57 N -0.10 1.60 -0.90 3.89 0.00 -1.26 -3.22 120.64 120.66 1va9 n GLU 57 Ca -0.17 0.59 -0.18 0.00 0.00 0.00 0.00 57.16 57.40 1va9 n GLU 57 Cb 0.63 -2.45 0.12 0.00 0.00 0.00 0.00 31.44 29.74 1va9 n GLU 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1va9 n ASN 58 N -0.64 4.01 -4.75 4.31 2.85 -1.00 -4.87 115.26 115.17 1va9 n ASN 58 Ca 0.10 -3.17 -0.37 0.00 -0.11 0.00 0.00 54.58 51.03 1va9 n ASN 58 Cb 0.44 -0.78 0.04 0.00 1.24 0.00 0.00 39.78 40.72 1va9 n ASN 58 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1va9 s SER 59 N -0.63 5.21 0.00 1.20 0.15 -1.26 -4.88 113.70 113.48 1va9 s SER 59 Ca 0.41 2.61 0.23 0.00 0.70 0.00 0.00 55.95 59.90 1va9 s SER 59 Cb 0.34 -2.62 1.22 0.00 -1.71 0.00 0.00 66.02 63.25 1va9 s SER 59 CO 0.07 -1.60 1.75 -0.81 1.20 0.00 0.00 173.24 173.85 1va9 n PRO 60 N -1.27 0.43 -2.76 5.44 -0.04 -1.26 -3.28 135.00 132.25 1va9 n PRO 60 Ca 0.12 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1va9 n PRO 60 Cb 0.47 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.61 1.86 3.85 0.55 0.00 -1.26 -5.12 105.19 105.68 1va9 n GLY 61 Ca 0.13 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1va9 n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1va9 s SER 62 N -2.69 6.79 -0.40 1.61 0.15 -1.21 -5.02 113.70 112.94 1va9 s SER 62 Ca 0.20 1.29 0.10 0.00 0.70 0.00 0.00 55.95 58.23 1va9 s SER 62 Cb 0.38 -2.37 0.31 0.00 -1.71 0.00 0.00 66.02 62.62 1va9 s SER 62 CO -0.07 -0.19 0.73 0.59 1.20 0.00 0.00 173.24 175.51 1va9 n ASN 63 N -0.28 -0.11 -3.56 5.45 4.13 -1.26 -5.02 115.26 114.61 1va9 n ASN 63 Ca 0.03 -3.03 -0.29 0.00 1.68 0.00 0.00 54.58 52.96 1va9 n ASN 63 Cb 0.53 -0.08 -0.14 0.00 -1.54 0.00 0.00 39.78 38.55 1va9 n ASN 63 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1va9 s GLY 64 N -1.84 0.76 -0.11 7.41 0.00 -1.26 -5.10 107.32 107.17 1va9 s GLY 64 Ca 0.35 -1.49 -0.36 0.00 0.00 0.00 0.00 44.72 43.22 1va9 s GLY 64 CO -0.10 1.97 1.05 -1.06 0.00 0.00 0.00 173.10 174.96 1va9 n GLN 65 N 4.75 0.00 -1.46 2.90 6.02 -1.26 -4.54 117.38 123.79 1va9 n GLN 65 Ca 0.01 0.00 -0.61 0.00 -0.01 0.00 0.00 57.00 56.38 1va9 n GLN 65 Cb 0.40 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 30.25 1va9 n GLN 65 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1va9 n TYR 66 N 1.85 1.43 -1.71 1.08 4.02 -1.26 -4.73 117.16 117.84 1va9 n TYR 66 Ca 0.20 0.94 -0.43 0.00 -0.01 0.00 0.00 57.90 58.60 1va9 n TYR 66 Cb 0.04 -2.14 -0.03 0.00 -0.02 0.00 0.00 39.34 37.19 1va9 n TYR 66 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1va9 s SER 67 N 4.06 5.53 0.07 7.72 0.01 -0.79 -4.64 113.70 125.67 1va9 s SER 67 Ca 1.06 1.72 -0.21 0.00 1.31 0.00 0.00 55.95 59.82 1va9 s SER 67 Cb -1.42 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 62.23 1va9 s SER 67 CO 0.71 -1.93 0.62 -0.63 0.41 0.00 0.00 173.24 172.43 1va9 s ILE 68 N 8.06 4.72 -0.16 1.44 -1.09 -1.26 -2.86 121.20 130.05 1va9 s ILE 68 Ca 0.95 1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 60.70 1va9 s ILE 68 Cb -0.30 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1va9 s ILE 68 CO 0.34 0.50 -0.07 0.68 -1.23 0.00 0.00 174.94 175.17 1va9 s VAL 69 N -0.81 1.18 0.19 2.92 -7.23 -1.09 -4.96 120.40 110.59 1va9 s VAL 69 Ca 0.31 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 1va9 s VAL 69 Cb -0.20 -1.29 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 1va9 s VAL 69 CO 0.20 0.21 0.91 -0.70 -0.31 0.00 0.00 175.10 175.40 1va9 s GLU 70 N 1.61 4.76 0.30 4.82 2.12 -1.26 -3.05 118.70 127.99 1va9 s GLU 70 Ca 0.02 1.40 -0.00 0.00 0.36 0.00 0.00 54.97 56.75 1va9 s GLU 70 Cb -0.15 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1va9 s GLU 70 CO -0.08 0.46 0.39 0.00 -0.54 0.00 0.00 175.26 175.48 1va9 n MET 71 N 1.83 0.56 -4.33 4.30 0.00 -1.25 -5.06 117.12 113.16 1va9 n MET 71 Ca -0.02 -2.47 -0.25 0.00 0.00 0.00 0.00 57.70 54.97 1va9 n MET 71 Cb 0.48 2.31 -0.09 0.00 0.00 0.00 0.00 33.22 35.91 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 -2.76 2.04 -0.38 3.17 -2.85 -1.26 -4.25 119.74 113.45 1va9 s LYS 72 Ca 0.26 -1.41 -0.21 0.00 -1.00 0.00 0.00 55.97 53.61 1va9 s LYS 72 Cb -0.00 -2.08 0.01 0.00 -2.06 0.00 0.00 37.83 33.69 1va9 s LYS 72 CO 0.19 0.40 0.69 0.00 0.10 0.00 0.00 175.35 176.72 1va9 s ALA 73 N -2.01 3.42 -2.24 0.59 0.00 -1.22 -4.83 121.76 115.48 1va9 s ALA 73 Ca 0.27 -0.85 0.25 0.00 0.00 0.00 0.00 51.96 51.63 1va9 s ALA 73 Cb -0.07 -3.27 1.17 0.00 0.00 0.00 0.00 23.12 20.95 1va9 s ALA 73 CO 0.16 -1.49 1.79 0.25 0.00 0.00 0.00 175.76 176.48 1va9 n THR 74 N 5.73 0.06 0.00 0.00 -2.24 -1.26 -4.98 114.28 111.58 1va9 n THR 74 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1va9 n THR 74 Cb 0.48 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.05 -0.45 0.13 3.38 0.00 -1.26 -4.94 105.19 103.10 1va9 n GLY 75 Ca 0.18 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 0.70 -3.55 1.61 3.32 -1.97 -3.44 116.42 113.10 1va9 h ASP 76 Ca 0.00 -0.77 -0.64 0.00 0.02 0.00 0.00 57.03 55.64 1va9 h ASP 76 Cb 0.00 -0.23 -0.20 0.00 0.22 0.00 0.00 39.33 39.13 1va9 h ASP 76 CO 0.00 1.61 -0.59 -0.94 -1.72 0.00 0.00 179.24 177.60 1va9 s SER 77 N -7.42 5.39 0.24 6.45 1.04 -1.26 -1.56 113.70 116.58 1va9 s SER 77 Ca -0.08 -0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.37 1va9 s SER 77 Cb 0.05 -1.96 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 1va9 s SER 77 CO 0.92 0.04 -0.16 -1.61 0.98 0.00 0.00 173.24 173.41 1va9 s GLU 78 N 1.17 1.80 -0.05 4.02 8.01 -0.99 -4.75 118.70 127.91 1va9 s GLU 78 Ca 0.05 -1.57 -0.16 0.00 0.01 0.00 0.00 54.97 53.30 1va9 s GLU 78 Cb -0.14 -1.91 0.03 0.00 -4.31 0.00 0.00 34.13 27.79 1va9 s GLU 78 CO 0.04 0.37 0.36 0.54 0.01 0.00 0.00 175.26 176.58 1va9 s VAL 79 N -2.14 0.04 -0.09 2.63 0.11 -1.26 -2.38 120.40 117.31 1va9 s VAL 79 Ca 0.27 -0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1va9 s VAL 79 Cb -0.07 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 34.21 1va9 s VAL 79 CO 0.15 -0.17 0.19 -0.47 -3.33 0.00 0.00 175.10 171.47 1va9 s TYR 80 N -0.89 -0.25 -0.79 1.54 6.14 -0.90 -4.99 117.35 117.21 1va9 s TYR 80 Ca -0.10 0.67 -0.22 0.00 0.64 0.00 0.00 57.07 58.06 1va9 s TYR 80 Cb -0.04 -0.11 0.08 0.00 0.42 0.00 0.00 41.96 42.31 1va9 s TYR 80 CO 0.04 -0.25 1.12 0.99 0.64 0.00 0.00 175.55 178.09 1va9 s THR 81 N 1.79 4.29 -0.52 4.34 2.01 -1.26 -2.77 115.64 123.52 1va9 s THR 81 Ca -0.03 -0.64 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 1va9 s THR 81 Cb -0.12 -4.80 0.01 0.00 0.01 0.00 0.00 72.50 67.61 1va9 s THR 81 CO -0.07 -1.60 1.45 -0.76 -0.69 0.00 0.00 174.62 172.95 1va9 s LEU 82 N 4.05 3.45 0.61 4.42 1.43 -0.73 -4.84 118.68 127.07 1va9 s LEU 82 Ca 0.30 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.94 1va9 s LEU 82 Cb -0.10 -3.18 0.10 0.00 0.03 0.00 0.00 46.19 43.04 1va9 s LEU 82 CO 0.03 -1.67 0.84 1.51 0.23 0.00 0.00 176.35 177.29 1va9 s ASP 83 N 4.52 4.92 -0.50 2.29 1.47 -1.26 -1.53 116.67 126.58 1va9 s ASP 83 Ca 0.56 -0.71 -0.03 0.00 1.18 0.00 0.00 52.55 53.55 1va9 s ASP 83 Cb -0.12 0.19 -0.03 0.00 -0.34 0.00 0.00 42.92 42.62 1va9 s ASP 83 CO 0.27 -1.46 0.44 0.59 0.68 0.00 0.00 175.17 175.69 1va9 n ASN 84 N -2.38 -4.22 -4.54 2.11 3.02 -0.12 -4.89 115.26 104.23 1va9 n ASN 84 Ca 0.15 -0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 54.08 1va9 n ASN 84 Cb 0.61 -2.75 -0.09 0.00 -0.61 0.00 0.00 39.78 36.95 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 -4.13 2.35 0.79 3.41 1.43 -1.15 -4.99 118.68 116.38 1va9 s LEU 85 Ca 0.22 -1.55 -0.05 0.00 -1.03 0.00 0.00 54.13 51.72 1va9 s LEU 85 Cb -0.03 -0.58 0.14 0.00 0.03 0.00 0.00 46.19 45.75 1va9 s LEU 85 CO 0.35 -0.74 1.08 -0.75 0.23 0.00 0.00 176.35 176.53 1va9 s LYS 86 N -3.80 1.43 -0.13 1.70 2.20 -1.26 -4.65 119.74 115.22 1va9 s LYS 86 Ca 0.21 -0.87 -0.08 0.00 -0.36 0.00 0.00 55.97 54.87 1va9 s LYS 86 Cb 0.05 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1va9 s LYS 86 CO 0.11 -1.70 0.15 0.15 -0.36 0.00 0.00 175.35 173.70 1va9 s LYS 87 N -5.35 3.63 -1.03 4.03 1.02 -1.26 -4.51 119.74 116.27 1va9 s LYS 87 Ca 0.68 -0.12 -0.22 0.00 0.02 0.00 0.00 55.97 56.33 1va9 s LYS 87 Cb -0.05 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1va9 s LYS 87 CO 0.47 0.67 0.41 0.34 -0.92 0.00 0.00 175.35 176.31 1va9 n PHE 88 N 2.32 -1.05 -4.12 3.18 7.35 0.18 -4.92 117.46 120.40 1va9 n PHE 88 Ca -0.19 0.14 -0.15 0.00 -0.76 0.00 0.00 57.45 56.49 1va9 n PHE 88 Cb 0.54 -2.18 -0.12 0.00 0.35 0.00 0.00 39.48 38.07 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 -3.90 0.72 0.02 3.13 0.00 -1.26 -4.87 121.76 115.60 1va9 s ALA 89 Ca 0.30 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1va9 s ALA 89 Cb -0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1va9 s ALA 89 CO 0.78 0.05 1.19 -1.14 0.00 0.00 0.00 175.76 176.63 1va9 s GLN 90 N -1.42 4.42 -0.07 0.00 0.74 -1.26 -2.74 119.66 119.33 1va9 s GLN 90 Ca -0.06 1.72 -0.00 0.00 0.05 0.00 0.00 55.36 57.06 1va9 s GLN 90 Cb -0.09 -3.42 0.02 0.00 1.10 0.00 0.00 33.01 30.62 1va9 s GLN 90 CO 0.01 -0.30 -0.03 0.71 -0.55 0.00 0.00 175.29 175.12 1va9 s TYR 91 N 1.42 0.88 -0.17 1.67 1.51 -1.26 -2.38 117.35 119.02 1va9 s TYR 91 Ca 0.57 -0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 56.20 1va9 s TYR 91 Cb -0.27 -0.86 -0.05 0.00 -0.11 0.00 0.00 41.96 40.67 1va9 s TYR 91 CO 0.27 -0.32 0.24 0.20 -1.11 0.00 0.00 175.55 174.83 1va9 s GLY 92 N 1.56 2.15 0.01 0.71 0.00 -1.20 -2.74 107.32 107.82 1va9 s GLY 92 Ca -0.01 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 44.25 1va9 s GLY 92 CO -0.04 0.35 -0.19 0.14 0.00 0.00 0.00 173.10 173.36 1va9 s VAL 93 N 0.47 1.55 -0.09 1.40 1.01 -0.74 -2.65 120.40 121.36 1va9 s VAL 93 Ca 0.14 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1va9 s VAL 93 Cb -0.12 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1va9 s VAL 93 CO 0.02 0.31 -0.11 0.68 0.00 0.00 0.00 175.10 176.00 1va9 s VAL 94 N -0.62 1.15 -0.03 2.92 -7.23 0.14 -2.87 120.40 113.86 1va9 s VAL 94 Ca 0.07 -0.44 -0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1va9 s VAL 94 Cb -0.08 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 1va9 s VAL 94 CO 0.00 0.37 0.03 -0.69 -0.31 0.00 0.00 175.10 174.50 1va9 s VAL 95 N 1.05 4.40 -0.08 1.32 1.01 -1.26 -1.39 120.40 125.45 1va9 s VAL 95 Ca -0.07 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 1va9 s VAL 95 Cb -0.15 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1va9 s VAL 95 CO -0.01 0.45 0.38 0.00 0.00 0.00 0.00 175.10 175.92 1va9 s GLN 96 N -1.39 0.61 -0.01 2.72 -2.07 -0.74 -2.35 119.66 116.42 1va9 s GLN 96 Ca 0.18 0.20 -0.17 0.00 -1.82 0.00 0.00 55.36 53.76 1va9 s GLN 96 Cb -0.12 0.28 -0.06 0.00 -1.09 0.00 0.00 33.01 32.03 1va9 s GLN 96 CO 0.09 -0.13 0.47 0.00 -1.32 0.00 0.00 175.29 174.40 1va9 s ALA 97 N -0.58 3.60 -0.04 2.60 0.00 -1.26 0.10 121.76 126.18 1va9 s ALA 97 Ca -0.07 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1va9 s ALA 97 Cb -0.04 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.57 1va9 s ALA 97 CO 0.03 0.32 -0.04 -0.59 0.00 0.00 0.00 175.76 175.47 1va9 s PHE 98 N -0.58 0.68 0.47 0.00 -0.12 0.18 -0.63 117.98 117.98 1va9 s PHE 98 Ca 0.26 -0.17 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1va9 s PHE 98 Cb -0.17 -0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 41.59 1va9 s PHE 98 CO 0.14 -0.17 0.06 0.54 -0.05 0.00 0.00 175.22 175.74 1va9 s ASN 99 N 0.82 3.57 0.60 1.98 2.20 0.27 -2.32 114.94 122.05 1va9 s ASN 99 Ca -0.11 -1.67 0.34 0.00 -0.94 0.00 0.00 52.86 50.49 1va9 s ASN 99 Cb -0.14 0.51 1.90 0.00 -2.00 0.00 0.00 41.25 41.53 1va9 s ASN 99 CO 0.00 -0.89 2.23 0.03 -2.94 0.00 0.00 177.10 175.54 1va9 h ARG 100 N 1.54 0.00 0.00 3.55 2.47 -1.98 0.11 114.38 120.07 1va9 h ARG 100 Ca -0.40 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.23 1va9 h ARG 100 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 1va9 h ARG 100 CO 0.67 0.03 -0.42 0.00 0.56 0.00 0.00 179.97 180.80 1va9 h ALA 101 N 1.97 0.91 0.00 0.04 0.00 -1.90 -3.49 119.26 116.79 1va9 h ALA 101 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1va9 h ALA 101 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1va9 h ALA 101 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1va9 n GLY 102 N 0.46 0.11 3.50 0.00 0.00 0.38 -4.25 105.19 105.38 1va9 n GLY 102 Ca 0.00 -1.50 -0.30 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 -2.88 2.92 0.56 2.61 2.01 -1.26 0.95 115.64 120.55 1va9 s THR 103 Ca 0.00 -1.44 0.09 0.00 0.31 0.00 0.00 61.69 60.66 1va9 s THR 103 Cb 0.00 -2.34 0.09 0.00 0.01 0.00 0.00 72.50 70.27 1va9 s THR 103 CO 0.00 0.12 0.78 0.61 -0.69 0.00 0.00 174.62 175.44 1va9 n GLY 104 N 0.85 1.94 3.81 4.40 0.00 0.20 -4.53 105.19 111.86 1va9 n GLY 104 Ca -0.15 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.35 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 -4.56 2.13 0.41 1.61 0.04 -1.24 -4.69 135.00 128.71 1va9 s PRO 105 Ca 0.59 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1va9 s PRO 105 Cb -0.05 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1va9 s PRO 105 CO 0.38 -1.59 0.63 -1.54 0.04 0.00 0.00 177.00 174.92 1va9 s SER 106 N -3.91 6.03 0.49 6.66 1.04 -1.26 -3.80 113.70 118.95 1va9 s SER 106 Ca 0.61 0.39 0.01 0.00 0.48 0.00 0.00 55.95 57.43 1va9 s SER 106 Cb -0.14 -1.76 0.01 0.00 0.10 0.00 0.00 66.02 64.23 1va9 s SER 106 CO 0.54 -0.55 0.71 -0.94 0.98 0.00 0.00 173.24 173.98 1va9 s SER 107 N -4.14 5.60 -0.20 7.02 1.04 -0.99 -4.65 113.70 117.38 1va9 s SER 107 Ca 0.45 0.14 -0.43 0.00 0.48 0.00 0.00 55.95 56.59 1va9 s SER 107 Cb -0.10 -1.23 -0.20 0.00 0.10 0.00 0.00 66.02 64.59 1va9 s SER 107 CO 0.38 -0.88 1.31 -1.20 0.98 0.00 0.00 173.24 173.82 1va9 n SER 108 N -2.18 0.61 -4.54 7.02 7.64 -1.26 -4.61 113.62 116.30 1va9 n SER 108 Ca 0.04 1.17 -0.13 0.00 1.01 0.00 0.00 58.87 60.96 1va9 n SER 108 Cb 0.59 -0.92 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 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 2.62 0.31 -1.19 1.43 2.13 -1.26 -4.88 120.64 119.79 1va9 n GLU 109 Ca 0.24 -1.10 -0.29 0.00 0.66 0.00 0.00 57.16 56.68 1va9 n GLU 109 Cb 0.03 -3.50 0.16 0.00 0.27 0.00 0.00 31.44 28.41 1va9 n GLU 109 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1va9 s ILE 110 N 14.28 2.23 0.24 6.31 -4.36 -1.14 -4.82 121.20 133.95 1va9 s ILE 110 Ca 0.86 0.08 -0.08 0.00 -0.26 0.00 0.00 60.65 61.24 1va9 s ILE 110 Cb -0.14 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 1va9 s ILE 110 CO 0.15 -0.10 0.38 0.54 0.24 0.00 0.00 174.94 176.15 1va9 s ASN 111 N -3.47 0.08 -0.30 4.36 4.22 -1.26 -1.78 114.94 116.79 1va9 s ASN 111 Ca 0.65 -1.12 -0.11 0.00 -2.14 0.00 0.00 52.86 50.14 1va9 s ASN 111 Cb -0.18 0.54 0.18 0.00 1.28 0.00 0.00 41.25 43.07 1va9 s ASN 111 CO 0.57 -1.07 1.04 0.00 -2.04 0.00 0.00 177.10 175.60 1va9 s ALA 112 N -3.96 -3.88 -0.40 3.54 0.00 -1.11 -4.53 121.76 111.43 1va9 s ALA 112 Ca 0.28 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.32 1va9 s ALA 112 Cb 0.02 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1va9 s ALA 112 CO 0.11 -1.94 1.80 0.99 0.00 0.00 0.00 175.76 176.73 1va9 s THR 113 N 2.95 3.46 1.00 0.00 2.01 -1.26 -4.12 115.64 119.68 1va9 s THR 113 Ca 0.20 0.44 -0.17 0.00 0.31 0.00 0.00 61.69 62.47 1va9 s THR 113 Cb -0.04 -3.73 -0.13 0.00 0.01 0.00 0.00 72.50 68.61 1va9 s THR 113 CO -0.20 -0.53 -0.70 0.35 -0.69 0.00 0.00 174.62 172.85 1va9 n THR 114 N 7.37 0.00 -0.53 -0.82 -2.24 -1.11 -4.77 114.28 112.18 1va9 n THR 114 Ca 0.22 -0.44 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1va9 n THR 114 Cb 0.48 -0.07 0.17 0.00 -2.10 0.00 0.00 70.33 68.81 1va9 n THR 114 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1va9 n LEU 115 N 2.93 -1.49 -0.04 3.22 7.99 -1.26 -3.54 117.00 124.81 1va9 n LEU 115 Ca -0.01 -0.38 0.12 0.00 -0.01 0.00 0.00 56.01 55.73 1va9 n LEU 115 Cb 0.57 -0.83 0.18 0.00 -0.11 0.00 0.00 43.42 43.22 1va9 n LEU 115 CO 0.52 -3.35 0.37 1.21 -1.51 0.00 0.00 177.39 174.63 1va9 n GLU 116 N -2.23 0.13 -2.45 3.23 4.07 -1.26 -0.65 120.64 121.48 1va9 n GLU 116 Ca 0.05 -0.08 -0.05 0.00 -0.06 0.00 0.00 57.16 57.02 1va9 n GLU 116 Cb 0.44 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.33 1va9 n GLU 116 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1va9 n SER 117 N -1.37 -6.25 -2.72 4.31 7.64 -1.26 -4.76 113.62 109.22 1va9 n SER 117 Ca 0.06 0.45 -0.00 0.00 1.01 0.00 0.00 58.87 60.39 1va9 n SER 117 Cb 0.34 -4.13 0.01 0.00 -1.01 0.00 0.00 64.21 59.42 1va9 n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va9 n GLY 118 N -0.27 0.59 3.82 0.23 0.00 -1.26 -5.13 105.19 103.17 1va9 n GLY 118 Ca 0.08 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1va9 n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va9 s PRO 119 N -2.02 3.10 0.15 1.61 0.04 -1.26 -5.08 135.00 131.54 1va9 s PRO 119 Ca 0.18 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 1va9 s PRO 119 Cb -0.01 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1va9 s PRO 119 CO 0.02 -0.98 0.53 0.45 0.04 0.00 0.00 177.00 177.06 1va9 s SER 120 N -3.47 -0.43 -0.28 6.66 0.15 -1.26 -5.15 113.70 109.92 1va9 s SER 120 Ca 0.60 -0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 1va9 s SER 120 Cb -0.14 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.83 1va9 s SER 120 CO 0.49 -0.95 0.78 -0.55 1.20 0.00 0.00 173.24 174.21 1va9 s SER 121 N -2.78 -0.82 0.00 5.45 0.15 -1.26 -5.32 113.70 109.12 1va9 s SER 121 Ca 0.02 1.29 0.18 0.00 0.70 0.00 0.00 55.95 58.15 1va9 s SER 121 Cb -0.00 1.38 1.09 0.00 -1.71 0.00 0.00 66.02 66.78 1va9 s SER 121 CO -0.11 -0.20 1.49 0.61 1.20 0.00 0.00 173.24 176.22