#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va9 n SER 2 N 0.00 0.77 -1.26 1.61 7.64 -1.26 -4.86 113.62 116.26 1va9 n SER 2 Ca 0.00 0.17 0.16 0.00 1.01 0.00 0.00 58.87 60.20 1va9 n SER 2 Cb 0.00 -0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 1va9 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1va9 n SER 3 N -3.41 -7.07 0.00 6.43 2.88 -1.26 -3.43 113.62 107.76 1va9 n SER 3 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1va9 n SER 3 Cb 0.07 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 1va9 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va9 n GLY 4 N -4.06 0.43 1.80 0.46 0.00 -1.26 -3.59 105.19 98.98 1va9 n GLY 4 Ca -0.07 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1va9 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1va9 n SER 5 N 5.80 0.07 -2.94 1.61 3.41 -1.26 -5.05 113.62 115.25 1va9 n SER 5 Ca 0.00 0.35 -0.05 0.00 -0.26 0.00 0.00 58.87 58.91 1va9 n SER 5 Cb 0.00 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1va9 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1va9 s SER 6 N -5.17 -1.15 0.00 4.04 0.15 -1.24 -5.05 113.70 105.29 1va9 s SER 6 Ca 0.00 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.06 1va9 s SER 6 Cb 0.00 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 1va9 s SER 6 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1va9 n GLY 7 N 3.35 2.02 1.38 9.45 0.00 -1.22 -4.92 105.19 115.25 1va9 n GLY 7 Ca 0.17 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1va9 n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1va9 n ILE 8 N 0.00 -4.69 0.00 -0.61 5.41 -1.26 -4.99 119.36 113.23 1va9 n ILE 8 Ca 0.00 2.05 0.00 0.00 1.00 0.00 0.00 62.75 65.80 1va9 n ILE 8 Cb 0.00 -2.84 0.00 0.00 -0.71 0.00 0.00 39.64 36.09 1va9 n ILE 8 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1va9 n SER 9 N -0.54 0.00 -0.35 4.38 2.88 -1.26 -5.11 113.62 113.62 1va9 n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1va9 n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1va9 n SER 9 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1va9 n THR 10 N 0.00 0.00 -3.96 2.46 -1.04 -1.26 -5.02 114.28 105.46 1va9 n THR 10 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1va9 n THR 10 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.49 1.84 0.73 -2.82 2.02 -1.26 -5.10 118.70 114.60 1va9 s GLU 11 Ca 0.00 -2.43 -0.06 0.00 0.02 0.00 0.00 54.97 52.50 1va9 s GLU 11 Cb 0.00 -3.27 0.08 0.00 0.10 0.00 0.00 34.13 31.05 1va9 s GLU 11 CO 0.00 -1.07 1.03 -1.21 0.02 0.00 0.00 175.26 174.03 1va9 s GLU 12 N 0.02 1.97 -0.05 1.61 8.01 -1.26 -5.11 118.70 123.89 1va9 s GLU 12 Ca 0.15 -0.43 -0.08 0.00 0.01 0.00 0.00 54.97 54.63 1va9 s GLU 12 Cb -0.24 -2.18 0.01 0.00 -4.31 0.00 0.00 34.13 27.41 1va9 s GLU 12 CO -0.02 -1.37 0.19 0.00 0.01 0.00 0.00 175.26 174.07 1va9 s ALA 13 N -3.27 -0.46 0.85 5.21 0.00 -1.25 -4.86 121.76 117.98 1va9 s ALA 13 Ca 0.62 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1va9 s ALA 13 Cb -0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.77 1va9 s ALA 13 CO 0.45 -0.14 -0.25 0.00 0.00 0.00 0.00 175.76 175.82 1va9 n ALA 14 N 2.36 -3.89 -1.78 0.00 0.00 -1.22 -4.71 120.51 111.28 1va9 n ALA 14 Ca -0.16 -0.48 -0.37 0.00 0.00 0.00 0.00 53.44 52.42 1va9 n ALA 14 Cb 0.57 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.21 4.28 -0.36 0.00 0.04 -1.26 -4.84 135.00 130.63 1va9 s PRO 15 Ca 0.50 1.58 0.06 0.00 0.04 0.00 0.00 61.00 63.18 1va9 s PRO 15 Cb -0.27 -2.70 0.46 0.00 0.04 0.00 0.00 34.50 32.03 1va9 s PRO 15 CO 0.73 -0.06 1.41 -0.25 0.04 0.00 0.00 177.00 178.87 1va9 n ASP 16 N 0.24 4.95 -3.64 6.66 9.92 -1.13 -3.97 116.55 129.57 1va9 n ASP 16 Ca 0.03 -3.78 -0.06 0.00 -0.53 0.00 0.00 54.79 50.46 1va9 n ASP 16 Cb 0.48 -0.53 -0.07 0.00 -0.64 0.00 0.00 41.12 40.37 1va9 n ASP 16 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1va9 s GLY 17 N -3.06 0.14 0.99 0.44 0.00 -1.26 -4.94 107.32 99.63 1va9 s GLY 17 Ca 0.52 3.16 -0.15 0.00 0.00 0.00 0.00 44.72 48.26 1va9 s GLY 17 CO 0.02 1.90 1.18 2.56 0.00 0.00 0.00 173.10 178.75 1va9 s PRO 18 N 0.12 0.46 0.89 2.90 0.04 -1.23 -4.64 135.00 133.53 1va9 s PRO 18 Ca 0.06 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.01 1va9 s PRO 18 Cb -0.05 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.83 1va9 s PRO 18 CO -0.12 -2.61 1.13 -1.25 0.04 0.00 0.00 177.00 174.20 1va9 s PRO 19 N -5.46 1.28 0.46 0.56 0.04 -1.26 -4.15 135.00 126.47 1va9 s PRO 19 Ca 0.68 0.34 0.07 0.00 0.04 0.00 0.00 61.00 62.13 1va9 s PRO 19 Cb -0.11 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 1va9 s PRO 19 CO 0.54 -2.11 0.36 -1.64 0.04 0.00 0.00 177.00 174.19 1va9 s MET 20 N -5.26 2.38 -1.61 4.56 -1.94 0.39 -4.61 119.30 113.21 1va9 s MET 20 Ca 0.63 -1.76 -0.15 0.00 -1.71 0.00 0.00 55.69 52.70 1va9 s MET 20 Cb -0.15 -2.22 0.12 0.00 2.01 0.00 0.00 34.83 34.59 1va9 s MET 20 CO 0.53 -0.34 0.86 -3.47 -0.01 0.00 0.00 175.02 172.59 1va9 n ASP 21 N -1.59 -3.78 -4.57 3.03 2.03 -1.26 0.16 116.55 110.57 1va9 n ASP 21 Ca 0.01 -0.91 -0.42 0.00 0.52 0.00 0.00 54.79 53.99 1va9 n ASP 21 Cb 0.63 -3.29 -0.03 0.00 -0.72 0.00 0.00 41.12 37.71 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 -3.34 4.09 0.04 5.18 1.01 -1.26 -3.57 120.40 122.56 1va9 s VAL 22 Ca 0.66 0.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.31 1va9 s VAL 22 Cb -0.34 -4.69 0.02 0.00 0.00 0.00 0.00 36.38 31.37 1va9 s VAL 22 CO 0.88 -1.28 0.33 0.28 0.00 0.00 0.00 175.10 175.31 1va9 s THR 23 N 4.76 0.07 0.35 3.92 -1.32 -1.09 -4.98 115.64 117.35 1va9 s THR 23 Ca 0.41 -0.62 0.07 0.00 -1.21 0.00 0.00 61.69 60.35 1va9 s THR 23 Cb -0.08 -0.94 -0.02 0.00 -1.51 0.00 0.00 72.50 69.94 1va9 s THR 23 CO 0.25 -0.34 0.32 -0.76 -2.21 0.00 0.00 174.62 171.88 1va9 s LEU 24 N -2.05 3.60 -0.30 9.08 1.43 -1.26 -2.71 118.68 126.47 1va9 s LEU 24 Ca -0.05 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 1va9 s LEU 24 Cb -0.01 -2.24 0.15 0.00 0.03 0.00 0.00 46.19 44.12 1va9 s LEU 24 CO -0.03 -0.41 0.80 -1.58 0.23 0.00 0.00 176.35 175.36 1va9 s GLN 25 N -4.03 0.45 -0.30 1.70 0.74 -0.31 -4.96 119.66 112.95 1va9 s GLN 25 Ca 0.42 1.08 -0.29 0.00 0.05 0.00 0.00 55.36 56.62 1va9 s GLN 25 Cb -0.06 0.64 -0.00 0.00 1.10 0.00 0.00 33.01 34.69 1va9 s GLN 25 CO 0.27 -0.20 1.35 -1.25 -0.55 0.00 0.00 175.29 174.91 1va9 s PRO 26 N 2.73 3.87 -0.15 1.67 0.04 -1.26 0.20 135.00 142.09 1va9 s PRO 26 Ca -0.02 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1va9 s PRO 26 Cb -0.10 -3.91 -0.23 0.00 0.04 0.00 0.00 34.50 30.30 1va9 s PRO 26 CO -0.18 -1.19 0.22 1.33 0.04 0.00 0.00 177.00 177.22 1va9 n VAL 27 N 6.32 1.65 -0.96 -0.36 0.24 -1.24 -4.86 118.33 119.12 1va9 n VAL 27 Ca 0.15 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1va9 n VAL 27 Cb 0.47 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 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 -3.30 0.00 -0.02 3.34 -2.24 -1.23 -5.06 114.28 105.78 1va9 n THR 28 Ca -0.34 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1va9 n THR 28 Cb 1.04 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 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 3.16 -2.02 3.42 7.64 -1.26 -3.35 113.62 121.21 1va9 n SER 29 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1va9 n SER 29 Cb 0.00 1.11 0.05 0.00 -1.01 0.00 0.00 64.21 64.37 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 -1.96 2.68 -3.54 1.43 6.02 -1.26 -3.94 117.38 116.81 1va9 n GLN 30 Ca -0.05 -3.77 -0.09 0.00 -0.01 0.00 0.00 57.00 53.08 1va9 n GLN 30 Cb 0.41 -1.90 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 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 -3.52 -0.33 0.01 1.08 0.15 -1.26 0.69 113.70 110.52 1va9 s SER 31 Ca 0.42 0.14 -0.04 0.00 0.70 0.00 0.00 55.95 57.17 1va9 s SER 31 Cb 0.38 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1va9 s SER 31 CO -0.01 -0.47 0.06 -0.63 1.20 0.00 0.00 173.24 173.40 1va9 s ILE 32 N -2.32 0.08 -0.30 6.45 1.01 0.26 -3.50 121.20 122.88 1va9 s ILE 32 Ca 0.03 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1va9 s ILE 32 Cb -0.01 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1va9 s ILE 32 CO -0.05 -0.38 0.30 -1.58 0.00 0.00 0.00 174.94 173.23 1va9 s GLN 33 N -1.23 3.79 -0.41 2.79 0.74 0.54 -0.88 119.66 124.99 1va9 s GLN 33 Ca -0.13 -0.30 -0.09 0.00 0.05 0.00 0.00 55.36 54.89 1va9 s GLN 33 Cb -0.08 -3.72 0.08 0.00 1.10 0.00 0.00 33.01 30.39 1va9 s GLN 33 CO 0.00 -0.35 0.25 0.08 -0.55 0.00 0.00 175.29 174.72 1va9 s VAL 34 N 1.91 4.17 -0.08 1.34 1.01 -0.64 -1.16 120.40 126.96 1va9 s VAL 34 Ca 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1va9 s VAL 34 Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1va9 s VAL 34 CO 0.11 -0.49 -0.06 0.42 0.00 0.00 0.00 175.10 175.08 1va9 s THR 35 N 1.41 3.81 0.09 3.92 -4.23 -1.10 -1.24 115.64 118.30 1va9 s THR 35 Ca 0.03 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 60.00 1va9 s THR 35 Cb -0.23 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1va9 s THR 35 CO 0.02 0.59 0.25 -1.66 -0.54 0.00 0.00 174.62 173.28 1va9 s TRP 36 N -0.72 0.03 0.16 3.99 -2.14 -0.82 -2.67 118.94 116.78 1va9 s TRP 36 Ca 0.11 -0.39 0.08 0.00 2.66 0.00 0.00 56.10 58.56 1va9 s TRP 36 Cb -0.11 0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.25 1va9 s TRP 36 CO 0.02 -0.57 -0.09 0.15 -2.66 0.00 0.00 176.95 173.80 1va9 s LYS 37 N -3.63 2.11 0.29 3.25 1.02 0.43 -2.02 119.74 121.18 1va9 s LYS 37 Ca 0.03 -1.19 -0.25 0.00 0.02 0.00 0.00 55.97 54.58 1va9 s LYS 37 Cb 0.03 -2.22 -0.16 0.00 -0.52 0.00 0.00 37.83 34.96 1va9 s LYS 37 CO -0.10 0.45 0.33 0.00 -0.92 0.00 0.00 175.35 175.12 1va9 n ALA 38 N 0.18 -2.93 -1.52 5.17 0.00 0.15 -0.46 120.51 121.11 1va9 n ALA 38 Ca -0.11 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1va9 n ALA 38 Cb 0.55 -1.55 0.18 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.00 0.28 0.45 0.00 0.04 -1.26 -3.88 135.00 129.64 1va9 s PRO 39 Ca 0.62 -0.03 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 1va9 s PRO 39 Cb -0.80 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 31.82 1va9 s PRO 39 CO 0.59 -2.71 -0.04 1.63 0.04 0.00 0.00 177.00 176.50 1va9 n LYS 40 N -4.06 0.00 0.00 4.56 4.01 -1.26 -4.68 118.16 116.73 1va9 n LYS 40 Ca 0.11 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.74 1va9 n LYS 40 Cb 0.59 -0.98 -0.12 0.00 -0.51 0.00 0.00 35.03 34.01 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 0.12 0.27 0.00 1.97 1.63 -1.99 0.15 116.57 118.72 1va9 h LYS 41 Ca -0.39 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.07 1va9 h LYS 41 Cb 1.42 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 1va9 h LYS 41 CO 0.43 1.09 0.00 -0.85 -3.45 0.00 0.00 179.45 176.67 1va9 n GLU 42 N -4.31 0.05 -0.00 1.90 0.28 -1.26 -2.08 120.64 115.22 1va9 n GLU 42 Ca -0.11 0.20 0.08 0.00 -0.16 0.00 0.00 57.16 57.17 1va9 n GLU 42 Cb 0.66 -1.59 -0.10 0.00 1.43 0.00 0.00 31.44 31.83 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 -1.69 0.46 -0.21 -1.84 4.77 -1.20 -4.46 117.00 112.83 1va9 n LEU 43 Ca 0.04 -0.31 0.01 0.00 -0.03 0.00 0.00 56.01 55.73 1va9 n LEU 43 Cb 0.25 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1va9 n LEU 43 CO 0.20 0.11 0.96 1.56 -1.33 0.00 0.00 177.39 178.89 1va9 h GLN 44 N 0.00 0.33 -6.11 3.23 4.20 -0.13 -3.00 115.11 113.63 1va9 h GLN 44 Ca 0.00 -0.02 -0.43 0.00 0.06 0.00 0.00 58.65 58.26 1va9 h GLN 44 Cb 0.52 -0.07 0.04 0.00 0.30 0.00 0.00 27.48 28.27 1va9 h GLN 44 CO 0.00 0.22 -0.81 0.09 -0.67 0.00 0.00 178.83 177.66 1va9 n ASN 45 N -5.06 -2.00 0.00 1.46 3.02 -1.26 -4.51 115.26 106.91 1va9 n ASN 45 Ca 0.10 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1va9 n ASN 45 Cb 0.33 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 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 -1.60 1.97 3.19 7.41 0.00 -1.26 -3.81 105.19 111.10 1va9 n GLY 46 Ca -0.23 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 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 1.79 0.00 -5.03 1.61 3.14 -1.26 -4.98 118.33 113.59 1va9 n VAL 47 Ca 0.00 -0.21 -0.32 0.00 -2.96 0.00 0.00 64.34 60.84 1va9 n VAL 47 Cb 0.00 -0.44 -0.14 0.00 -1.06 0.00 0.00 33.84 32.20 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 -2.16 2.68 -0.01 1.55 -1.09 -1.26 -4.90 121.20 116.01 1va9 s ILE 48 Ca 0.50 -0.85 0.07 0.00 -2.23 0.00 0.00 60.65 58.14 1va9 s ILE 48 Cb -0.05 -2.03 -0.24 0.00 -1.58 0.00 0.00 42.46 38.56 1va9 s ILE 48 CO 0.65 0.58 0.79 0.03 -1.23 0.00 0.00 174.94 175.76 1va9 h ARG 49 N 5.69 0.07 0.00 2.79 3.08 -1.92 -3.41 114.38 120.67 1va9 h ARG 49 Ca -0.40 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1va9 h ARG 49 Cb 1.16 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1va9 h ARG 49 CO 0.50 0.77 0.00 0.41 -1.07 0.00 0.00 179.97 180.58 1va9 n GLY 50 N 1.57 -0.21 3.12 0.04 0.00 -0.74 -2.56 105.19 106.42 1va9 n GLY 50 Ca -0.15 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 1.22 -0.13 1.61 1.51 -1.25 0.69 117.35 119.00 1va9 s TYR 51 Ca 0.00 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.60 1va9 s TYR 51 Cb 0.00 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1va9 s TYR 51 CO 0.00 0.01 0.41 -0.65 -1.11 0.00 0.00 175.55 174.21 1va9 s GLN 52 N -0.78 4.30 -0.46 -0.62 -0.21 0.11 -3.80 119.66 118.19 1va9 s GLN 52 Ca 0.03 0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.72 1va9 s GLN 52 Cb -0.07 -3.43 0.12 0.00 1.00 0.00 0.00 33.01 30.64 1va9 s GLN 52 CO 0.00 0.20 0.25 0.42 -2.12 0.00 0.00 175.29 174.04 1va9 s ILE 53 N 0.53 3.15 -0.34 1.08 1.09 -1.17 -1.93 121.20 123.61 1va9 s ILE 53 Ca 0.22 -2.48 -0.18 0.00 -1.10 0.00 0.00 60.65 57.11 1va9 s ILE 53 Cb -0.14 -3.15 -0.01 0.00 -1.06 0.00 0.00 42.46 38.10 1va9 s ILE 53 CO 0.08 -0.74 0.53 -0.83 -0.10 0.00 0.00 174.94 173.88 1va9 s GLY 54 N 1.15 1.81 0.03 6.18 0.00 -1.04 -3.04 107.32 112.40 1va9 s GLY 54 Ca 0.12 -0.94 0.06 0.00 0.00 0.00 0.00 44.72 43.96 1va9 s GLY 54 CO -0.04 1.29 -0.18 -2.52 0.00 0.00 0.00 173.10 171.65 1va9 s TYR 55 N 2.42 1.55 -0.23 1.90 1.13 -0.96 -0.08 117.35 123.08 1va9 s TYR 55 Ca 0.20 -0.34 -0.18 0.00 -1.41 0.00 0.00 57.07 55.34 1va9 s TYR 55 Cb -0.15 -0.94 0.06 0.00 -1.10 0.00 0.00 41.96 39.83 1va9 s TYR 55 CO 0.13 0.04 0.59 -0.98 -2.51 0.00 0.00 175.55 172.82 1va9 s ARG 56 N -0.94 0.65 0.06 -3.49 1.70 -1.00 -1.32 118.95 114.62 1va9 s ARG 56 Ca 0.05 0.92 -0.37 0.00 -0.47 0.00 0.00 55.73 55.86 1va9 s ARG 56 Cb -0.08 0.24 -0.18 0.00 -0.57 0.00 0.00 34.95 34.36 1va9 s ARG 56 CO 0.01 -0.11 1.11 -1.91 -1.08 0.00 0.00 175.30 173.32 1va9 n GLU 57 N 3.36 0.45 -1.14 3.89 2.13 -1.26 -3.00 120.64 125.06 1va9 n GLU 57 Ca -0.17 0.16 -0.20 0.00 0.66 0.00 0.00 57.16 57.61 1va9 n GLU 57 Cb 0.56 -1.66 -0.01 0.00 0.27 0.00 0.00 31.44 30.60 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 1.88 6.41 -4.86 4.31 2.85 -0.12 -4.80 115.26 120.93 1va9 n ASN 58 Ca 0.19 -3.09 -0.31 0.00 -0.11 0.00 0.00 54.58 51.25 1va9 n ASN 58 Cb 0.14 -1.15 0.00 0.00 1.24 0.00 0.00 39.78 40.02 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 0.35 6.28 -0.52 1.20 0.15 -1.26 -4.82 113.70 115.08 1va9 s SER 59 Ca 0.44 1.48 -0.28 0.00 0.70 0.00 0.00 55.95 58.29 1va9 s SER 59 Cb 0.30 -2.48 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1va9 s SER 59 CO -0.09 -0.83 1.47 -2.16 1.20 0.00 0.00 173.24 172.83 1va9 s PRO 60 N -4.85 3.31 0.00 5.44 0.04 -1.26 -3.07 135.00 134.60 1va9 s PRO 60 Ca 0.56 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1va9 s PRO 60 Cb -0.11 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1va9 s PRO 60 CO 0.48 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1va9 n GLY 61 N 5.27 0.69 3.80 0.56 0.00 -1.26 -5.05 105.19 109.20 1va9 n GLY 61 Ca 0.15 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1va9 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1va9 s SER 62 N -2.74 7.18 -0.50 1.61 1.04 -1.18 -5.02 113.70 114.10 1va9 s SER 62 Ca 0.00 1.54 0.06 0.00 0.48 0.00 0.00 55.95 58.03 1va9 s SER 62 Cb 0.00 -2.46 0.22 0.00 0.10 0.00 0.00 66.02 63.87 1va9 s SER 62 CO 0.00 0.06 0.53 0.59 0.98 0.00 0.00 173.24 175.40 1va9 n ASN 63 N 0.92 1.30 -3.46 7.02 3.02 -1.26 -5.02 115.26 117.77 1va9 n ASN 63 Ca -0.03 -2.87 -0.23 0.00 -0.03 0.00 0.00 54.58 51.42 1va9 n ASN 63 Cb 0.50 -0.64 -0.12 0.00 -0.61 0.00 0.00 39.78 38.91 1va9 n ASN 63 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1va9 s GLY 64 N -1.23 0.18 -0.25 7.41 0.00 -1.26 -5.11 107.32 107.07 1va9 s GLY 64 Ca 0.34 -0.74 -0.40 0.00 0.00 0.00 0.00 44.72 43.92 1va9 s GLY 64 CO -0.12 2.37 1.24 -1.06 0.00 0.00 0.00 173.10 175.54 1va9 n GLN 65 N 5.21 0.00 -1.70 2.90 3.00 -1.26 -4.61 117.38 120.92 1va9 n GLN 65 Ca -0.03 0.00 -0.65 0.00 -0.01 0.00 0.00 57.00 56.31 1va9 n GLN 65 Cb 0.44 -1.38 -0.09 0.00 0.00 0.00 0.00 30.24 29.21 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 2.60 1.62 -2.09 1.08 4.02 -1.26 -4.77 117.16 118.36 1va9 n TYR 66 Ca 0.24 1.05 -0.42 0.00 -0.01 0.00 0.00 57.90 58.76 1va9 n TYR 66 Cb 0.00 -2.24 -0.03 0.00 -0.02 0.00 0.00 39.34 37.06 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 2.54 5.79 0.04 7.72 0.01 -0.43 -4.73 113.70 124.65 1va9 s SER 67 Ca 1.02 0.89 -0.23 0.00 1.31 0.00 0.00 55.95 58.94 1va9 s SER 67 Cb -1.40 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 62.24 1va9 s SER 67 CO 0.75 -1.86 0.69 -0.63 0.41 0.00 0.00 173.24 172.60 1va9 s ILE 68 N 7.26 4.76 -0.14 1.44 -1.09 -1.26 -2.27 121.20 129.89 1va9 s ILE 68 Ca 0.72 1.46 -0.00 0.00 -2.23 0.00 0.00 60.65 60.60 1va9 s ILE 68 Cb -0.17 -4.03 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1va9 s ILE 68 CO 0.29 0.41 -0.10 0.68 -1.23 0.00 0.00 174.94 175.00 1va9 s VAL 69 N -0.29 1.29 0.22 2.92 -7.23 -1.17 -4.95 120.40 111.19 1va9 s VAL 69 Ca 0.35 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.69 1va9 s VAL 69 Cb -0.20 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 1va9 s VAL 69 CO 0.21 0.35 0.92 -0.70 -0.31 0.00 0.00 175.10 175.56 1va9 s GLU 70 N 1.59 4.80 0.35 4.82 2.12 -1.26 -3.07 118.70 128.04 1va9 s GLU 70 Ca 0.04 1.43 -0.01 0.00 0.36 0.00 0.00 54.97 56.79 1va9 s GLU 70 Cb -0.13 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1va9 s GLU 70 CO -0.09 0.50 0.46 0.00 -0.54 0.00 0.00 175.26 175.59 1va9 s MET 71 N -1.06 1.92 0.08 4.30 0.23 -1.25 -5.04 119.30 118.48 1va9 s MET 71 Ca 0.41 -1.80 0.10 0.00 -1.03 0.00 0.00 55.69 53.36 1va9 s MET 71 Cb -0.25 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1va9 s MET 71 CO 0.31 -0.79 -0.25 -1.59 -2.03 0.00 0.00 175.02 170.66 1va9 s LYS 72 N -3.04 1.54 -0.34 3.16 -2.85 -1.26 -3.89 119.74 113.06 1va9 s LYS 72 Ca 0.32 -1.18 -0.25 0.00 -1.00 0.00 0.00 55.97 53.85 1va9 s LYS 72 Cb -0.00 -1.84 0.01 0.00 -2.06 0.00 0.00 37.83 33.94 1va9 s LYS 72 CO 0.21 0.46 0.87 0.00 0.10 0.00 0.00 175.35 176.99 1va9 s ALA 73 N -0.93 3.47 0.11 0.59 0.00 -1.06 -4.85 121.76 119.09 1va9 s ALA 73 Ca 0.12 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1va9 s ALA 73 Cb -0.10 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 1va9 s ALA 73 CO 0.04 -1.43 1.35 1.79 0.00 0.00 0.00 175.76 177.51 1va9 h THR 74 N 5.72 1.28 0.00 0.00 1.35 -1.94 -3.48 112.91 115.83 1va9 h THR 74 Ca -0.23 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1va9 h THR 74 Cb 1.08 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1va9 h THR 74 CO 0.94 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 177.41 1va9 n GLY 75 N 0.54 3.16 0.14 5.82 0.00 -1.26 -5.03 105.19 108.56 1va9 n GLY 75 Ca -0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1va9 n GLY 75 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1va9 h ASP 76 N 0.00 0.67 -3.50 1.61 2.03 -1.98 -3.46 116.42 111.78 1va9 h ASP 76 Ca 0.00 -0.90 -0.67 0.00 -0.73 0.00 0.00 57.03 54.73 1va9 h ASP 76 Cb 0.00 -0.22 -0.16 0.00 -0.83 0.00 0.00 39.33 38.13 1va9 h ASP 76 CO 0.00 1.74 -0.68 -0.94 -1.03 0.00 0.00 179.24 178.33 1va9 s SER 77 N -7.36 4.81 0.15 4.15 1.04 -1.26 0.35 113.70 115.58 1va9 s SER 77 Ca -0.13 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.21 1va9 s SER 77 Cb 0.05 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.96 1va9 s SER 77 CO 0.88 0.27 -0.03 -1.61 0.98 0.00 0.00 173.24 173.73 1va9 s GLU 78 N -1.55 1.03 0.01 4.02 0.41 -0.86 -4.61 118.70 117.16 1va9 s GLU 78 Ca 0.19 -1.47 -0.14 0.00 -0.41 0.00 0.00 54.97 53.13 1va9 s GLU 78 Cb -0.11 -0.32 0.02 0.00 -1.78 0.00 0.00 34.13 31.93 1va9 s GLU 78 CO 0.09 -0.06 0.31 0.54 -0.49 0.00 0.00 175.26 175.65 1va9 s VAL 79 N -3.58 0.07 -0.12 2.63 0.11 -1.26 -1.94 120.40 116.31 1va9 s VAL 79 Ca 0.20 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.63 1va9 s VAL 79 Cb 0.05 -0.77 0.06 0.00 -1.53 0.00 0.00 36.38 34.19 1va9 s VAL 79 CO 0.01 -0.31 0.24 -0.47 -3.33 0.00 0.00 175.10 171.24 1va9 s TYR 80 N -1.90 -0.36 -0.84 1.54 6.14 -0.38 -4.99 117.35 116.56 1va9 s TYR 80 Ca -0.09 0.87 -0.20 0.00 0.64 0.00 0.00 57.07 58.28 1va9 s TYR 80 Cb -0.03 -0.03 0.10 0.00 0.42 0.00 0.00 41.96 42.42 1va9 s TYR 80 CO 0.01 -0.30 1.09 0.99 0.64 0.00 0.00 175.55 177.98 1va9 s THR 81 N 2.02 4.51 -0.53 4.34 2.01 -1.26 -1.61 115.64 125.12 1va9 s THR 81 Ca -0.02 -1.06 -0.28 0.00 0.31 0.00 0.00 61.69 60.64 1va9 s THR 81 Cb -0.11 -4.77 0.01 0.00 0.01 0.00 0.00 72.50 67.64 1va9 s THR 81 CO -0.08 -1.53 1.45 -0.76 -0.69 0.00 0.00 174.62 173.01 1va9 s LEU 82 N 3.39 3.44 0.74 4.42 1.43 -0.06 -4.82 118.68 127.22 1va9 s LEU 82 Ca 0.30 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1va9 s LEU 82 Cb -0.09 -3.14 0.14 0.00 0.03 0.00 0.00 46.19 43.13 1va9 s LEU 82 CO -0.02 -1.69 1.02 1.51 0.23 0.00 0.00 176.35 177.40 1va9 s ASP 83 N 4.58 4.22 -0.63 2.29 -4.77 -1.26 -0.58 116.67 120.53 1va9 s ASP 83 Ca 0.56 -0.44 -0.01 0.00 -3.30 0.00 0.00 52.55 49.36 1va9 s ASP 83 Cb -0.12 0.14 -0.01 0.00 -1.09 0.00 0.00 42.92 41.84 1va9 s ASP 83 CO 0.27 -1.96 0.59 0.59 0.70 0.00 0.00 175.17 175.35 1va9 n ASN 84 N -2.89 -6.57 -3.92 2.11 3.02 0.22 -4.83 115.26 102.39 1va9 n ASN 84 Ca 0.16 -0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.40 1va9 n ASN 84 Cb 0.61 -4.46 -0.16 0.00 -0.61 0.00 0.00 39.78 35.16 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 -3.77 1.56 0.43 3.41 1.43 -1.15 -4.94 118.68 115.65 1va9 s LEU 85 Ca 0.04 -0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.79 1va9 s LEU 85 Cb -0.01 -0.41 -0.11 0.00 0.03 0.00 0.00 46.19 45.69 1va9 s LEU 85 CO 0.60 -0.01 0.75 0.29 0.23 0.00 0.00 176.35 178.22 1va9 n LYS 86 N 3.65 0.87 -2.67 1.70 4.01 -1.26 -4.07 118.16 120.39 1va9 n LYS 86 Ca -0.22 0.32 -0.39 0.00 -0.51 0.00 0.00 58.31 57.51 1va9 n LYS 86 Cb 0.53 -1.75 -0.06 0.00 -0.51 0.00 0.00 35.03 33.24 1va9 n LYS 86 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1va9 s LYS 87 N -1.83 4.73 -1.08 1.97 1.02 -1.25 -3.96 119.74 119.33 1va9 s LYS 87 Ca 0.64 1.55 -0.21 0.00 0.02 0.00 0.00 55.97 57.97 1va9 s LYS 87 Cb -0.57 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 33.60 1va9 s LYS 87 CO 0.57 0.37 0.70 0.34 -0.92 0.00 0.00 175.35 176.41 1va9 n PHE 88 N 1.20 -1.77 -3.75 3.18 7.35 -0.48 -4.96 117.46 118.22 1va9 n PHE 88 Ca -0.01 0.40 -0.13 0.00 -0.76 0.00 0.00 57.45 56.95 1va9 n PHE 88 Cb 0.47 -3.05 -0.10 0.00 0.35 0.00 0.00 39.48 37.15 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 -3.36 -0.88 -0.05 3.13 0.00 -1.25 -4.89 121.76 114.45 1va9 s ALA 89 Ca 0.36 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 1va9 s ALA 89 Cb -0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1va9 s ALA 89 CO 0.91 -0.19 1.23 -1.14 0.00 0.00 0.00 175.76 176.57 1va9 s GLN 90 N -0.06 4.34 -0.14 0.00 0.74 -1.26 -2.28 119.66 120.99 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 -0.03 -3.57 0.01 0.00 1.10 0.00 0.00 33.01 30.53 1va9 s GLN 90 CO 0.01 -0.47 -0.21 0.71 -0.55 0.00 0.00 175.29 174.78 1va9 s TYR 91 N 2.28 2.60 -0.27 1.67 2.02 -1.25 -0.94 117.35 123.45 1va9 s TYR 91 Ca 0.57 -1.35 -0.10 0.00 -0.37 0.00 0.00 57.07 55.82 1va9 s TYR 91 Cb -0.25 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1va9 s TYR 91 CO 0.22 -0.63 0.15 0.20 -1.57 0.00 0.00 175.55 173.92 1va9 s GLY 92 N 0.93 1.88 0.15 0.71 0.00 -1.16 -2.80 107.32 107.02 1va9 s GLY 92 Ca -0.05 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.59 1va9 s GLY 92 CO -0.04 0.62 -0.11 0.54 0.00 0.00 0.00 173.10 174.12 1va9 s VAL 93 N 1.71 1.22 0.35 1.40 0.11 -1.18 -2.38 120.40 121.63 1va9 s VAL 93 Ca 0.07 -2.07 0.04 0.00 -2.93 0.00 0.00 61.98 57.09 1va9 s VAL 93 Cb -0.16 -1.86 -0.06 0.00 -1.53 0.00 0.00 36.38 32.77 1va9 s VAL 93 CO 0.08 -0.73 0.06 0.68 -3.33 0.00 0.00 175.10 171.87 1va9 s VAL 94 N -3.28 1.18 -0.03 2.04 -7.23 0.89 -3.09 120.40 110.88 1va9 s VAL 94 Ca 0.17 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 1va9 s VAL 94 Cb 0.02 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1va9 s VAL 94 CO 0.01 0.00 0.08 -0.69 -0.31 0.00 0.00 175.10 174.19 1va9 s VAL 95 N -3.22 -0.01 -0.07 1.32 1.01 -1.26 -2.51 120.40 115.67 1va9 s VAL 95 Ca 0.34 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1va9 s VAL 95 Cb 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.36 1va9 s VAL 95 CO 0.15 0.01 0.28 0.00 0.00 0.00 0.00 175.10 175.54 1va9 s GLN 96 N 0.15 0.47 -0.30 2.72 -2.07 -0.81 -1.86 119.66 117.96 1va9 s GLN 96 Ca -0.01 0.11 -0.20 0.00 -1.82 0.00 0.00 55.36 53.45 1va9 s GLN 96 Cb -0.02 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1va9 s GLN 96 CO -0.00 -0.10 0.59 0.00 -1.32 0.00 0.00 175.29 174.46 1va9 s ALA 97 N -0.53 3.54 -0.12 2.60 0.00 -1.26 0.05 121.76 126.04 1va9 s ALA 97 Ca -0.06 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1va9 s ALA 97 Cb -0.04 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1va9 s ALA 97 CO 0.02 -1.01 -0.11 -0.59 0.00 0.00 0.00 175.76 174.06 1va9 s PHE 98 N 2.52 2.84 0.47 0.00 -0.12 0.22 -2.30 117.98 121.60 1va9 s PHE 98 Ca 0.24 -0.51 0.02 0.00 -0.05 0.00 0.00 56.93 56.63 1va9 s PHE 98 Cb -0.15 -1.83 -0.02 0.00 -0.63 0.00 0.00 43.02 40.39 1va9 s PHE 98 CO 0.11 -0.12 0.06 0.54 -0.05 0.00 0.00 175.22 175.76 1va9 s ASN 99 N 0.19 3.56 0.60 1.98 2.20 0.27 -1.79 114.94 121.94 1va9 s ASN 99 Ca -0.07 -1.66 0.38 0.00 -0.94 0.00 0.00 52.86 50.57 1va9 s ASN 99 Cb -0.15 0.51 1.81 0.00 -2.00 0.00 0.00 41.25 41.42 1va9 s ASN 99 CO 0.05 -0.88 2.15 0.08 -2.94 0.00 0.00 177.10 175.55 1va9 h ARG 100 N 1.54 0.00 0.00 3.55 -0.00 -1.98 0.20 114.38 117.69 1va9 h ARG 100 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.58 1va9 h ARG 100 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.27 1va9 h ARG 100 CO 0.67 0.01 0.00 0.00 -0.00 0.00 0.00 179.97 180.65 1va9 h ALA 101 N 1.99 1.00 0.00 0.08 0.00 -1.89 -3.49 119.26 116.94 1va9 h ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1va9 h ALA 101 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1va9 h ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1va9 n GLY 102 N 1.08 0.80 3.37 0.00 0.00 0.06 -3.38 105.19 107.12 1va9 n GLY 102 Ca 0.05 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.78 2.20 0.51 2.61 2.01 -1.26 0.95 115.64 119.88 1va9 s THR 103 Ca 0.00 -1.67 0.08 0.00 0.31 0.00 0.00 61.69 60.41 1va9 s THR 103 Cb 0.00 -1.94 0.08 0.00 0.01 0.00 0.00 72.50 70.65 1va9 s THR 103 CO 0.00 0.14 0.64 0.61 -0.69 0.00 0.00 174.62 175.32 1va9 n GLY 104 N 1.10 2.12 3.81 4.40 0.00 -0.97 -4.50 105.19 111.15 1va9 n GLY 104 Ca -0.18 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.29 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 -4.26 3.31 0.91 1.61 0.04 -1.26 -4.71 135.00 130.64 1va9 s PRO 105 Ca 0.49 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 1va9 s PRO 105 Cb -0.04 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.64 1va9 s PRO 105 CO 0.31 -0.81 1.25 -1.12 0.04 0.00 0.00 177.00 176.67 1va9 s SER 106 N -3.00 3.44 0.34 6.66 0.01 -1.26 -3.55 113.70 116.34 1va9 s SER 106 Ca 0.62 0.19 0.07 0.00 1.31 0.00 0.00 55.95 58.14 1va9 s SER 106 Cb -0.15 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 1va9 s SER 106 CO 0.40 -2.52 0.41 -0.94 0.41 0.00 0.00 173.24 171.00 1va9 s SER 107 N -4.84 5.69 -0.29 2.44 1.04 -0.78 -4.54 113.70 112.41 1va9 s SER 107 Ca 0.72 -0.33 -0.42 0.00 0.48 0.00 0.00 55.95 56.40 1va9 s SER 107 Cb -0.05 -1.09 -0.18 0.00 0.10 0.00 0.00 66.02 64.81 1va9 s SER 107 CO 0.51 -0.43 1.60 -1.20 0.98 0.00 0.00 173.24 174.70 1va9 n SER 108 N -1.56 1.72 -4.65 7.02 7.64 -1.26 -4.65 113.62 117.89 1va9 n SER 108 Ca -0.00 1.12 -0.51 0.00 1.01 0.00 0.00 58.87 60.49 1va9 n SER 108 Cb 0.59 -1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 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 4.29 1.66 -2.89 1.43 2.13 -1.26 -4.95 120.64 121.06 1va9 n GLU 109 Ca 0.27 0.58 -0.17 0.00 0.66 0.00 0.00 57.16 58.50 1va9 n GLU 109 Cb 0.07 -2.46 0.03 0.00 0.27 0.00 0.00 31.44 29.34 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 5.45 0.00 -3.98 6.31 -5.35 -1.18 -4.99 119.36 115.63 1va9 n ILE 110 Ca 0.27 -1.56 -0.10 0.00 -0.27 0.00 0.00 62.75 61.10 1va9 n ILE 110 Cb 0.24 -0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 1va9 n ILE 110 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1va9 s ASN 111 N -3.57 0.18 -0.30 7.28 0.01 -1.26 -3.09 114.94 114.20 1va9 s ASN 111 Ca 0.34 -1.09 -0.16 0.00 -0.71 0.00 0.00 52.86 51.24 1va9 s ASN 111 Cb -0.03 0.67 0.18 0.00 0.41 0.00 0.00 41.25 42.48 1va9 s ASN 111 CO 0.22 -1.30 1.19 0.00 -1.51 0.00 0.00 177.10 175.70 1va9 s ALA 112 N -3.45 -4.46 -0.20 0.60 0.00 -1.12 -4.53 121.76 108.60 1va9 s ALA 112 Ca 0.22 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.32 1va9 s ALA 112 Cb -0.02 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1va9 s ALA 112 CO 0.12 -2.10 1.79 0.99 0.00 0.00 0.00 175.76 176.57 1va9 s THR 113 N 2.99 3.46 0.85 0.00 2.01 -1.26 -3.79 115.64 119.91 1va9 s THR 113 Ca 0.28 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.64 1va9 s THR 113 Cb -0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1va9 s THR 113 CO -0.20 -0.22 0.23 0.35 -0.69 0.00 0.00 174.62 174.09 1va9 n THR 114 N 6.65 0.66 -0.65 -0.82 -2.24 -0.97 -4.79 114.28 112.12 1va9 n THR 114 Ca 0.21 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 1va9 n THR 114 Cb 0.45 -0.54 0.18 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.01 -2.06 0.00 3.22 4.77 -1.21 -3.46 117.00 118.27 1va9 n LEU 115 Ca 0.07 -0.11 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 1va9 n LEU 115 Cb 0.52 -1.02 0.76 0.00 -2.33 0.00 0.00 43.42 41.36 1va9 n LEU 115 CO 0.51 -3.15 0.96 -0.62 -1.33 0.00 0.00 177.39 173.76 1va9 n GLU 116 N -2.54 0.87 -1.36 3.23 -0.58 -1.26 -1.38 120.64 117.62 1va9 n GLU 116 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1va9 n GLU 116 Cb 0.60 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1va9 n GLU 116 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1va9 n SER 117 N -0.96 -7.50 0.00 1.62 2.88 -1.26 -4.78 113.62 103.62 1va9 n SER 117 Ca 0.19 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1va9 n SER 117 Cb 0.09 -3.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.66 1va9 n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va9 n GLY 118 N -0.74 4.47 3.62 0.46 0.00 -1.26 -5.06 105.19 106.67 1va9 n GLY 118 Ca 0.00 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.27 3.76 -0.25 1.61 0.04 -1.26 -4.94 135.00 130.68 1va9 s PRO 119 Ca 0.00 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 1va9 s PRO 119 Cb 0.00 -3.96 0.17 0.00 0.04 0.00 0.00 34.50 30.75 1va9 s PRO 119 CO 0.00 -1.33 1.28 0.45 0.04 0.00 0.00 177.00 177.44 1va9 s SER 120 N 3.41 -0.10 -0.22 6.66 0.15 -1.26 -5.14 113.70 117.19 1va9 s SER 120 Ca 0.60 0.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.29 1va9 s SER 120 Cb -0.16 0.09 0.08 0.00 -1.71 0.00 0.00 66.02 64.32 1va9 s SER 120 CO 0.28 -0.11 0.10 -0.44 1.20 0.00 0.00 173.24 174.26 1va9 s SER 121 N -1.31 2.93 0.00 5.45 0.01 -1.26 -5.19 113.70 114.34 1va9 s SER 121 Ca 0.08 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1va9 s SER 121 Cb -0.01 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1va9 s SER 121 CO -0.05 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.82