#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 -8.57 -1.42 1.61 7.64 -1.26 -4.97 113.62 106.64 1va9 n SER 2 Ca 0.00 1.86 0.18 0.00 1.01 0.00 0.00 58.87 61.92 1va9 n SER 2 Cb 0.00 -5.13 -0.07 0.00 -1.01 0.00 0.00 64.21 58.00 1va9 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1va9 n SER 3 N -2.52 -8.53 0.00 6.43 7.64 -1.26 -5.07 113.62 110.31 1va9 n SER 3 Ca 0.00 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1va9 n SER 3 Cb 0.46 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1va9 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va9 n GLY 4 N -4.29 1.50 3.09 0.23 0.00 -1.26 -5.13 105.19 99.33 1va9 n GLY 4 Ca -0.04 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 1.00 -0.27 1.61 0.15 -1.26 -5.15 113.70 109.78 1va9 s SER 5 Ca 0.00 -0.61 -0.11 0.00 0.70 0.00 0.00 55.95 55.93 1va9 s SER 5 Cb 0.00 0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.45 1va9 s SER 5 CO 0.00 -0.22 0.61 -0.44 1.20 0.00 0.00 173.24 174.39 1va9 s SER 6 N -1.77 -0.91 -0.32 5.45 0.01 -1.26 -5.12 113.70 109.78 1va9 s SER 6 Ca -0.06 1.42 -0.02 0.00 1.31 0.00 0.00 55.95 58.60 1va9 s SER 6 Cb -0.08 1.79 0.11 0.00 0.21 0.00 0.00 66.02 68.05 1va9 s SER 6 CO 0.00 -0.23 0.13 -0.83 0.41 0.00 0.00 173.24 172.73 1va9 s GLY 7 N 2.40 0.88 0.05 3.44 0.00 -1.26 -5.01 107.32 107.81 1va9 s GLY 7 Ca -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1va9 s GLY 7 CO -0.18 1.83 0.00 1.39 0.00 0.00 0.00 173.10 176.14 1va9 n ILE 8 N 4.82 -9.98 0.00 0.90 5.41 -1.26 -5.09 119.36 114.15 1va9 n ILE 8 Ca -0.01 2.25 0.00 0.00 1.00 0.00 0.00 62.75 65.98 1va9 n ILE 8 Cb 0.41 -5.00 0.00 0.00 -0.71 0.00 0.00 39.64 34.34 1va9 n ILE 8 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1va9 n SER 9 N 1.28 0.00 -0.46 4.38 7.64 -1.26 -5.18 113.62 120.03 1va9 n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1va9 n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1va9 n SER 9 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1va9 n THR 10 N 0.00 0.00 -2.63 0.44 -1.04 -1.26 -5.04 114.28 104.75 1va9 n THR 10 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1va9 n THR 10 Cb 0.00 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.55 1va9 n THR 10 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1va9 n GLU 11 N 0.00 2.18 -0.78 -2.82 0.00 -1.26 -5.11 120.64 112.85 1va9 n GLU 11 Ca 0.00 -3.67 -0.34 0.00 0.00 0.00 0.00 57.16 53.15 1va9 n GLU 11 Cb 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 31.44 29.80 1va9 n GLU 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1va9 n GLU 12 N -0.60 -1.07 -3.71 3.44 2.13 -1.26 -5.03 120.64 114.53 1va9 n GLU 12 Ca 0.16 -0.30 -0.14 0.00 0.66 0.00 0.00 57.16 57.54 1va9 n GLU 12 Cb 0.84 -1.43 -0.09 0.00 0.27 0.00 0.00 31.44 31.03 1va9 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1va9 s ALA 13 N -2.14 -1.07 0.69 4.31 0.00 -1.09 -4.83 121.76 117.63 1va9 s ALA 13 Ca 0.48 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 53.14 1va9 s ALA 13 Cb -0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1va9 s ALA 13 CO 0.64 -0.26 0.39 0.00 0.00 0.00 0.00 175.76 176.54 1va9 n ALA 14 N 1.88 -1.81 -1.70 0.00 0.00 -1.26 -4.65 120.51 112.96 1va9 n ALA 14 Ca -0.18 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 52.73 1va9 n ALA 14 Cb 0.57 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.43 3.45 -0.49 0.00 0.04 -1.26 -4.76 135.00 129.55 1va9 s PRO 15 Ca 0.64 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.94 1va9 s PRO 15 Cb -0.37 -2.05 0.38 0.00 0.04 0.00 0.00 34.50 32.50 1va9 s PRO 15 CO 0.59 -0.71 0.98 -0.25 0.04 0.00 0.00 177.00 177.66 1va9 n ASP 16 N -1.86 3.90 0.00 6.66 8.00 -1.25 -4.20 116.55 127.79 1va9 n ASP 16 Ca 0.09 -3.54 0.00 0.00 0.71 0.00 0.00 54.79 52.04 1va9 n ASP 16 Cb 0.53 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.25 3.70 3.78 0.44 0.00 -1.26 -4.83 105.19 106.77 1va9 n GLY 17 Ca 0.31 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.37 0.79 0.88 1.61 0.04 -1.24 -4.65 135.00 131.07 1va9 s PRO 18 Ca 0.00 0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.08 1va9 s PRO 18 Cb 0.00 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.85 1va9 s PRO 18 CO 0.00 -2.41 1.13 -1.25 0.04 0.00 0.00 177.00 174.51 1va9 s PRO 19 N -5.37 1.36 0.51 0.56 0.04 -1.26 -4.28 135.00 126.55 1va9 s PRO 19 Ca 0.66 0.37 0.06 0.00 0.04 0.00 0.00 61.00 62.13 1va9 s PRO 19 Cb -0.13 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1va9 s PRO 19 CO 0.54 -2.06 0.38 -1.64 0.04 0.00 0.00 177.00 174.25 1va9 s MET 20 N -5.25 2.30 -1.17 4.56 -1.94 -0.12 -4.55 119.30 113.13 1va9 s MET 20 Ca 0.63 -1.91 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 1va9 s MET 20 Cb -0.15 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.56 1va9 s MET 20 CO 0.53 -0.49 0.00 -3.47 -0.01 0.00 0.00 175.02 171.59 1va9 n ASP 21 N -1.67 -3.61 -4.59 3.03 2.03 -1.26 0.12 116.55 110.60 1va9 n ASP 21 Ca -0.01 0.25 -0.42 0.00 0.52 0.00 0.00 54.79 55.13 1va9 n ASP 21 Cb 0.64 -3.21 -0.03 0.00 -0.72 0.00 0.00 41.12 37.80 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 -2.36 3.47 0.08 5.18 1.01 -1.25 -3.59 120.40 122.94 1va9 s VAL 22 Ca 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1va9 s VAL 22 Cb 0.00 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1va9 s VAL 22 CO 0.00 -0.51 0.38 0.28 0.00 0.00 0.00 175.10 175.25 1va9 s THR 23 N 7.28 0.07 0.36 3.92 -1.32 -0.78 -5.03 115.64 120.15 1va9 s THR 23 Ca 0.77 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 60.75 1va9 s THR 23 Cb -0.20 -1.06 -0.03 0.00 -1.51 0.00 0.00 72.50 69.70 1va9 s THR 23 CO 0.31 -0.32 0.28 -0.76 -2.21 0.00 0.00 174.62 171.92 1va9 s LEU 24 N -2.37 3.45 -0.30 9.08 1.43 -1.26 -1.74 118.68 126.96 1va9 s LEU 24 Ca -0.01 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1va9 s LEU 24 Cb 0.01 -2.03 0.16 0.00 0.03 0.00 0.00 46.19 44.35 1va9 s LEU 24 CO -0.07 -0.44 0.87 -1.58 0.23 0.00 0.00 176.35 175.37 1va9 s GLN 25 N -4.00 0.38 -0.42 1.70 0.74 0.17 -4.94 119.66 113.29 1va9 s GLN 25 Ca 0.42 0.88 -0.29 0.00 0.05 0.00 0.00 55.36 56.42 1va9 s GLN 25 Cb -0.04 0.52 0.01 0.00 1.10 0.00 0.00 33.01 34.60 1va9 s GLN 25 CO 0.26 -0.21 1.42 -1.25 -0.55 0.00 0.00 175.29 174.96 1va9 s PRO 26 N 2.68 3.56 -0.13 1.67 0.04 -1.26 0.18 135.00 141.74 1va9 s PRO 26 Ca -0.00 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.04 1va9 s PRO 26 Cb -0.09 -4.03 -0.23 0.00 0.04 0.00 0.00 34.50 30.18 1va9 s PRO 26 CO -0.17 -1.59 0.32 1.33 0.04 0.00 0.00 177.00 176.93 1va9 n VAL 27 N 7.09 1.58 -4.34 -0.36 0.24 -1.19 -4.89 118.33 116.46 1va9 n VAL 27 Ca 0.16 -0.75 -0.18 0.00 -2.04 0.00 0.00 64.34 61.54 1va9 n VAL 27 Cb 0.48 -1.12 -0.05 0.00 -1.47 0.00 0.00 33.84 31.68 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 -3.11 0.00 0.25 3.34 -2.24 -0.90 -5.06 114.28 106.57 1va9 n THR 28 Ca -0.28 -1.70 -0.11 0.00 -2.27 0.00 0.00 64.05 59.69 1va9 n THR 28 Cb 1.07 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.88 1va9 n THR 28 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1va9 h SER 29 N 1.19 -0.58 -2.05 3.42 0.02 -1.93 -3.34 113.55 110.28 1va9 h SER 29 Ca -0.22 -0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.01 1va9 h SER 29 Cb 0.86 0.15 -0.32 0.00 0.14 0.00 0.00 62.40 63.23 1va9 h SER 29 CO 0.34 -0.17 0.47 0.00 -1.14 0.00 0.00 176.83 176.34 1va9 n GLN 30 N -5.23 3.83 -3.65 3.45 6.02 -1.26 -4.28 117.38 116.26 1va9 n GLN 30 Ca -0.09 -4.29 -0.00 0.00 -0.01 0.00 0.00 57.00 52.61 1va9 n GLN 30 Cb 0.28 -2.33 -0.06 0.00 1.02 0.00 0.00 30.24 29.15 1va9 n GLN 30 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1va9 s SER 31 N -1.98 -0.27 0.18 1.08 1.04 -1.25 -1.96 113.70 110.53 1va9 s SER 31 Ca 0.47 0.44 0.10 0.00 0.48 0.00 0.00 55.95 57.44 1va9 s SER 31 Cb 0.32 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 67.45 1va9 s SER 31 CO -0.24 -0.07 -0.22 -0.63 0.98 0.00 0.00 173.24 173.06 1va9 s ILE 32 N 1.08 2.11 -0.16 -1.02 1.01 -0.57 -2.11 121.20 121.55 1va9 s ILE 32 Ca -0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 60.65 58.59 1va9 s ILE 32 Cb -0.03 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1va9 s ILE 32 CO -0.12 -0.19 -0.04 -1.58 0.00 0.00 0.00 174.94 173.01 1va9 s GLN 33 N -2.67 3.64 -0.26 2.79 0.74 0.49 -0.88 119.66 123.51 1va9 s GLN 33 Ca 0.18 -0.53 -0.01 0.00 0.05 0.00 0.00 55.36 55.05 1va9 s GLN 33 Cb -0.07 -2.90 0.04 0.00 1.10 0.00 0.00 33.01 31.17 1va9 s GLN 33 CO 0.08 0.23 -0.06 0.08 -0.55 0.00 0.00 175.29 175.07 1va9 s VAL 34 N 0.40 2.75 -0.07 1.34 1.01 0.53 0.43 120.40 126.80 1va9 s VAL 34 Ca -0.04 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1va9 s VAL 34 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1va9 s VAL 34 CO 0.03 0.10 -0.12 0.42 0.00 0.00 0.00 175.10 175.54 1va9 s THR 35 N 1.27 3.25 0.13 3.92 -4.23 -0.71 -1.06 115.64 118.21 1va9 s THR 35 Ca -0.02 -0.64 -0.13 0.00 -1.18 0.00 0.00 61.69 59.71 1va9 s THR 35 Cb -0.18 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1va9 s THR 35 CO -0.04 0.58 0.35 -1.66 -0.54 0.00 0.00 174.62 173.30 1va9 s TRP 36 N -0.51 -0.02 0.22 3.99 -2.14 -0.89 -1.86 118.94 117.74 1va9 s TRP 36 Ca 0.07 -0.34 0.10 0.00 2.66 0.00 0.00 56.10 58.59 1va9 s TRP 36 Cb -0.12 0.15 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 1va9 s TRP 36 CO 0.02 -0.69 -0.13 0.15 -2.66 0.00 0.00 176.95 173.64 1va9 s LYS 37 N -3.85 1.93 0.33 3.25 1.02 0.31 -2.42 119.74 120.31 1va9 s LYS 37 Ca 0.06 -1.45 -0.24 0.00 0.02 0.00 0.00 55.97 54.36 1va9 s LYS 37 Cb 0.02 -2.02 -0.16 0.00 -0.52 0.00 0.00 37.83 35.16 1va9 s LYS 37 CO -0.09 0.39 0.35 0.00 -0.92 0.00 0.00 175.35 175.09 1va9 n ALA 38 N -0.24 -2.58 -1.53 5.17 0.00 0.12 -0.94 120.51 120.50 1va9 n ALA 38 Ca -0.09 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 1va9 n ALA 38 Cb 0.57 -1.60 0.15 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.12 0.78 0.03 0.00 0.04 -1.26 -4.01 135.00 129.46 1va9 s PRO 39 Ca 0.62 0.15 -0.34 0.00 0.04 0.00 0.00 61.00 61.46 1va9 s PRO 39 Cb -0.74 -1.81 -0.18 0.00 0.04 0.00 0.00 34.50 31.82 1va9 s PRO 39 CO 0.60 -2.41 0.88 1.63 0.04 0.00 0.00 177.00 177.73 1va9 n LYS 40 N -3.89 0.00 0.25 4.56 4.01 -1.26 -4.83 118.16 117.00 1va9 n LYS 40 Ca 0.09 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.73 1va9 n LYS 40 Cb 0.59 -1.28 -0.08 0.00 -0.51 0.00 0.00 35.03 33.75 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 2.40 -0.58 0.00 1.97 1.63 -2.00 -1.11 116.57 118.88 1va9 h LYS 41 Ca -0.43 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1va9 h LYS 41 Cb 1.29 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1va9 h LYS 41 CO 0.58 -0.36 0.00 -0.85 -3.45 0.00 0.00 179.45 175.37 1va9 n GLU 42 N -5.33 0.13 -2.21 1.90 0.28 -1.26 -1.52 120.64 112.64 1va9 n GLU 42 Ca -0.11 0.60 -0.30 0.00 -0.16 0.00 0.00 57.16 57.18 1va9 n GLU 42 Cb 0.26 -1.91 0.02 0.00 1.43 0.00 0.00 31.44 31.24 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 -2.19 5.64 -0.04 -1.84 4.77 -0.44 -4.56 117.00 118.34 1va9 n LEU 43 Ca -0.01 -5.01 -0.06 0.00 -0.03 0.00 0.00 56.01 50.90 1va9 n LEU 43 Cb 0.05 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1va9 n LEU 43 CO 0.10 2.06 -0.76 0.00 -1.33 0.00 0.00 177.39 177.45 1va9 n GLN 44 N -0.55 0.20 -3.77 3.23 6.02 -0.57 -3.86 117.38 118.08 1va9 n GLN 44 Ca 0.45 0.05 -0.27 0.00 -0.01 0.00 0.00 57.00 57.22 1va9 n GLN 44 Cb 0.59 -1.15 0.05 0.00 1.02 0.00 0.00 30.24 30.75 1va9 n GLN 44 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1va9 n ASN 45 N -2.75 -4.94 0.00 1.08 3.02 -1.26 -4.48 115.26 105.92 1va9 n ASN 45 Ca -0.14 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1va9 n ASN 45 Cb 0.65 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.77 -1.65 3.78 7.41 0.00 -1.26 -2.68 105.19 109.01 1va9 n GLY 46 Ca -0.01 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 1va9 n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1va9 s VAL 47 N -0.65 3.43 -0.06 1.61 1.01 -1.26 -5.04 120.40 119.44 1va9 s VAL 47 Ca 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1va9 s VAL 47 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1va9 s VAL 47 CO 0.00 -0.59 0.03 -0.63 0.00 0.00 0.00 175.10 173.91 1va9 s ILE 48 N -2.88 4.51 -0.14 2.22 -1.09 -1.26 -4.91 121.20 117.65 1va9 s ILE 48 Ca 0.61 -0.27 -0.15 0.00 -2.23 0.00 0.00 60.65 58.61 1va9 s ILE 48 Cb -0.17 -2.95 -0.24 0.00 -1.58 0.00 0.00 42.46 37.52 1va9 s ILE 48 CO 0.55 0.53 0.39 0.03 -1.23 0.00 0.00 174.94 175.20 1va9 h ARG 49 N 4.82 0.16 -1.88 2.79 2.47 -1.92 -3.43 114.38 117.40 1va9 h ARG 49 Ca -0.51 -0.28 0.28 0.00 -1.26 0.00 0.00 59.98 58.21 1va9 h ARG 49 Cb 1.19 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 29.52 1va9 h ARG 49 CO 0.57 1.13 0.74 0.20 0.56 0.00 0.00 179.97 183.17 1va9 s GLY 50 N -5.10 -0.26 -0.03 0.04 0.00 -0.38 -1.21 107.32 100.38 1va9 s GLY 50 Ca -0.24 0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.85 1va9 s GLY 50 CO 0.71 1.27 -0.12 -0.19 0.00 0.00 0.00 173.10 174.76 1va9 s TYR 51 N -2.50 1.24 0.01 1.90 1.51 -1.26 0.56 117.35 118.81 1va9 s TYR 51 Ca 0.17 -0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 55.68 1va9 s TYR 51 Cb 0.02 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 1va9 s TYR 51 CO -0.01 -0.11 0.72 -0.65 -1.11 0.00 0.00 175.55 174.39 1va9 s GLN 52 N 0.05 4.45 -0.50 -0.62 -0.21 0.13 -4.10 119.66 118.86 1va9 s GLN 52 Ca -0.02 0.96 -0.03 0.00 0.02 0.00 0.00 55.36 56.29 1va9 s GLN 52 Cb -0.09 -3.37 0.13 0.00 1.00 0.00 0.00 33.01 30.68 1va9 s GLN 52 CO 0.01 0.26 0.31 0.42 -2.12 0.00 0.00 175.29 174.17 1va9 s ILE 53 N 0.07 3.53 -0.47 1.08 1.09 -1.16 -1.63 121.20 123.71 1va9 s ILE 53 Ca 0.37 -2.38 -0.21 0.00 -1.10 0.00 0.00 60.65 57.33 1va9 s ILE 53 Cb -0.19 -3.36 0.04 0.00 -1.06 0.00 0.00 42.46 37.88 1va9 s ILE 53 CO 0.21 -0.77 0.66 -0.83 -0.10 0.00 0.00 174.94 174.11 1va9 s GLY 54 N 1.47 1.71 0.02 6.18 0.00 -0.48 -3.27 107.32 112.95 1va9 s GLY 54 Ca 0.11 -1.37 0.08 0.00 0.00 0.00 0.00 44.72 43.54 1va9 s GLY 54 CO -0.04 1.56 -0.24 -2.52 0.00 0.00 0.00 173.10 171.86 1va9 s TYR 55 N 2.86 2.10 -0.16 1.90 1.13 -0.68 0.46 117.35 124.96 1va9 s TYR 55 Ca 0.21 -0.40 -0.22 0.00 -1.41 0.00 0.00 57.07 55.25 1va9 s TYR 55 Cb -0.15 -1.29 0.06 0.00 -1.10 0.00 0.00 41.96 39.47 1va9 s TYR 55 CO 0.17 0.06 0.59 -0.98 -2.51 0.00 0.00 175.55 172.88 1va9 s ARG 56 N -1.00 0.78 0.07 -3.49 1.70 -0.83 -0.39 118.95 115.78 1va9 s ARG 56 Ca 0.10 0.60 -0.37 0.00 -0.47 0.00 0.00 55.73 55.58 1va9 s ARG 56 Cb -0.09 0.37 -0.17 0.00 -0.57 0.00 0.00 34.95 34.49 1va9 s ARG 56 CO 0.01 -0.15 1.33 -1.91 -1.08 0.00 0.00 175.30 173.50 1va9 n GLU 57 N 2.19 1.04 -1.03 3.89 2.13 -1.26 -2.46 120.64 125.14 1va9 n GLU 57 Ca -0.16 0.37 -0.20 0.00 0.66 0.00 0.00 57.16 57.84 1va9 n GLU 57 Cb 0.56 -2.00 0.02 0.00 0.27 0.00 0.00 31.44 30.29 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 2.50 6.54 -4.83 4.31 2.85 -0.47 -4.78 115.26 121.39 1va9 n ASN 58 Ca 0.19 -3.13 -0.31 0.00 -0.11 0.00 0.00 54.58 51.22 1va9 n ASN 58 Cb 0.18 -1.09 0.06 0.00 1.24 0.00 0.00 39.78 40.17 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 0.10 5.22 -0.50 1.20 0.15 -1.26 -4.86 113.70 113.74 1va9 s SER 59 Ca 0.38 1.45 -0.28 0.00 0.70 0.00 0.00 55.95 58.20 1va9 s SER 59 Cb 0.29 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 1va9 s SER 59 CO -0.04 -1.52 1.46 -2.16 1.20 0.00 0.00 173.24 172.17 1va9 s PRO 60 N -5.13 3.36 -0.38 5.44 0.04 -1.26 -3.22 135.00 133.86 1va9 s PRO 60 Ca 0.58 0.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 1va9 s PRO 60 Cb -0.13 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1va9 s PRO 60 CO 0.54 -1.85 0.32 0.41 0.04 0.00 0.00 177.00 176.46 1va9 n GLY 61 N 5.23 0.25 3.85 0.56 0.00 -1.26 -5.03 105.19 108.78 1va9 n GLY 61 Ca 0.15 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.36 6.74 -0.52 1.61 1.04 -1.20 -5.03 113.70 112.98 1va9 s SER 62 Ca 0.03 1.37 0.07 0.00 0.48 0.00 0.00 55.95 57.90 1va9 s SER 62 Cb -0.01 -2.41 0.24 0.00 0.10 0.00 0.00 66.02 63.93 1va9 s SER 62 CO 0.22 -0.32 0.60 0.59 0.98 0.00 0.00 173.24 175.32 1va9 n ASN 63 N -0.75 1.87 -3.50 7.02 4.13 -1.26 -5.01 115.26 117.76 1va9 n ASN 63 Ca 0.04 -3.03 -0.28 0.00 1.68 0.00 0.00 54.58 53.00 1va9 n ASN 63 Cb 0.54 -0.66 -0.13 0.00 -1.54 0.00 0.00 39.78 37.99 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 -1.66 0.55 0.07 7.41 0.00 -1.26 -5.11 107.32 107.31 1va9 s GLY 64 Ca 0.36 -1.29 -0.33 0.00 0.00 0.00 0.00 44.72 43.46 1va9 s GLY 64 CO -0.08 2.14 0.81 0.61 0.00 0.00 0.00 173.10 176.58 1va9 n GLN 65 N 4.83 0.00 -1.53 2.90 10.64 -1.26 -4.60 117.38 128.35 1va9 n GLN 65 Ca 0.01 0.00 -0.57 0.00 -1.83 0.00 0.00 57.00 54.61 1va9 n GLN 65 Cb 0.41 -1.23 -0.08 0.00 -0.86 0.00 0.00 30.24 28.48 1va9 n GLN 65 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1va9 n TYR 66 N 0.90 1.70 -1.80 2.61 4.02 -1.26 -4.78 117.16 118.54 1va9 n TYR 66 Ca 0.18 0.57 -0.40 0.00 -0.01 0.00 0.00 57.90 58.24 1va9 n TYR 66 Cb 0.13 -2.42 -0.03 0.00 -0.02 0.00 0.00 39.34 37.00 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 5.18 5.23 0.29 7.72 0.01 0.48 -4.68 113.70 127.94 1va9 s SER 67 Ca 1.07 1.14 -0.17 0.00 1.31 0.00 0.00 55.95 59.30 1va9 s SER 67 Cb -1.14 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 62.48 1va9 s SER 67 CO 0.62 -2.26 0.75 -0.63 0.41 0.00 0.00 173.24 172.13 1va9 s ILE 68 N 9.24 4.61 -0.12 1.44 -1.09 -1.26 -1.69 121.20 132.34 1va9 s ILE 68 Ca 0.86 1.12 -0.04 0.00 -2.23 0.00 0.00 60.65 60.37 1va9 s ILE 68 Cb -0.21 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1va9 s ILE 68 CO 0.29 -0.03 0.18 0.68 -1.23 0.00 0.00 174.94 174.83 1va9 s VAL 69 N -1.81 -0.29 0.20 2.92 -7.23 -1.20 -4.95 120.40 108.04 1va9 s VAL 69 Ca 0.50 0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 60.60 1va9 s VAL 69 Cb -0.13 -0.41 -0.08 0.00 0.56 0.00 0.00 36.38 36.32 1va9 s VAL 69 CO 0.19 0.05 0.93 -0.70 -0.31 0.00 0.00 175.10 175.26 1va9 s GLU 70 N 2.31 4.79 0.21 4.82 -6.30 -1.26 -2.97 118.70 120.30 1va9 s GLU 70 Ca 0.04 1.45 0.01 0.00 -2.50 0.00 0.00 54.97 53.97 1va9 s GLU 70 Cb -0.13 -3.31 -0.00 0.00 0.00 0.00 0.00 34.13 30.69 1va9 s GLU 70 CO -0.08 0.44 0.25 0.00 0.02 0.00 0.00 175.26 175.89 1va9 n MET 71 N 1.86 0.36 -4.31 4.30 0.00 -1.26 -5.06 117.12 113.01 1va9 n MET 71 Ca -0.01 -1.83 -0.25 0.00 0.00 0.00 0.00 57.70 55.61 1va9 n MET 71 Cb 0.48 1.65 -0.12 0.00 0.00 0.00 0.00 33.22 35.22 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 -2.62 1.20 -0.20 3.17 -2.85 -1.26 -4.20 119.74 112.97 1va9 s LYS 72 Ca 0.20 -1.23 -0.29 0.00 -1.00 0.00 0.00 55.97 53.66 1va9 s LYS 72 Cb 0.00 -1.50 -0.00 0.00 -2.06 0.00 0.00 37.83 34.27 1va9 s LYS 72 CO 0.14 0.35 1.16 0.00 0.10 0.00 0.00 175.35 177.10 1va9 s ALA 73 N -1.21 3.66 -0.37 0.59 0.00 -0.35 -4.84 121.76 119.24 1va9 s ALA 73 Ca 0.09 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1va9 s ALA 73 Cb -0.10 -3.60 0.57 0.00 0.00 0.00 0.00 23.12 19.99 1va9 s ALA 73 CO 0.05 -1.15 1.67 0.25 0.00 0.00 0.00 175.76 176.58 1va9 n THR 74 N 5.40 2.62 0.00 0.00 -2.24 -1.26 -5.00 114.28 113.80 1va9 n THR 74 Ca 0.13 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1va9 n THR 74 Cb 0.45 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.47 0.37 0.08 3.38 0.00 -1.26 -4.74 105.19 102.55 1va9 n GLY 75 Ca 0.41 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 -3.58 1.61 3.32 -1.99 -3.45 116.42 112.34 1va9 h ASP 76 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1va9 h ASP 76 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 1va9 h ASP 76 CO 0.00 0.91 -0.69 -0.94 -1.72 0.00 0.00 179.24 176.81 1va9 s SER 77 N -6.59 4.69 0.02 6.45 1.04 -1.26 0.15 113.70 118.19 1va9 s SER 77 Ca 0.01 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1va9 s SER 77 Cb 0.09 -1.29 -0.02 0.00 0.10 0.00 0.00 66.02 64.91 1va9 s SER 77 CO 0.81 0.33 -0.06 -1.61 0.98 0.00 0.00 173.24 173.69 1va9 s GLU 78 N -0.62 0.42 0.02 4.02 8.01 -1.01 -4.41 118.70 125.13 1va9 s GLU 78 Ca 0.09 -0.53 -0.03 0.00 0.01 0.00 0.00 54.97 54.51 1va9 s GLU 78 Cb -0.12 -0.23 -0.01 0.00 -4.31 0.00 0.00 34.13 29.46 1va9 s GLU 78 CO 0.02 0.04 0.04 0.54 0.01 0.00 0.00 175.26 175.92 1va9 s VAL 79 N -0.97 0.11 -0.05 2.63 0.11 -1.26 -2.09 120.40 118.89 1va9 s VAL 79 Ca -0.07 -0.92 -0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1va9 s VAL 79 Cb -0.07 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1va9 s VAL 79 CO -0.00 -0.51 0.11 -0.47 -3.33 0.00 0.00 175.10 170.90 1va9 s TYR 80 N -1.77 -0.12 -0.46 1.54 6.14 -0.22 -4.97 117.35 117.49 1va9 s TYR 80 Ca -0.13 0.33 -0.10 0.00 0.64 0.00 0.00 57.07 57.82 1va9 s TYR 80 Cb -0.07 -0.03 0.11 0.00 0.42 0.00 0.00 41.96 42.40 1va9 s TYR 80 CO -0.01 -0.09 0.34 0.99 0.64 0.00 0.00 175.55 177.41 1va9 s THR 81 N 0.52 4.31 -0.55 4.34 2.01 -1.26 -0.34 115.64 124.67 1va9 s THR 81 Ca -0.04 -1.66 -0.28 0.00 0.31 0.00 0.00 61.69 60.02 1va9 s THR 81 Cb -0.05 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1va9 s THR 81 CO -0.02 -0.72 1.27 -0.76 -0.69 0.00 0.00 174.62 173.71 1va9 s LEU 82 N 1.40 3.47 0.00 4.42 2.01 -0.06 -4.85 118.68 125.07 1va9 s LEU 82 Ca 0.05 0.27 -0.01 0.00 0.01 0.00 0.00 54.13 54.45 1va9 s LEU 82 Cb -0.26 -3.22 0.11 0.00 0.01 0.00 0.00 46.19 42.84 1va9 s LEU 82 CO 0.00 -1.52 0.78 -0.90 1.01 0.00 0.00 176.35 175.72 1va9 n ASP 83 N 8.75 1.01 -3.26 2.29 5.68 -1.26 -1.51 116.55 128.24 1va9 n ASP 83 Ca 0.11 -1.86 -0.17 0.00 -0.50 0.00 0.00 54.79 52.37 1va9 n ASP 83 Cb 0.49 -0.51 0.08 0.00 -1.14 0.00 0.00 41.12 40.04 1va9 n ASP 83 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1va9 n ASN 84 N -2.95 -2.63 -4.83 -1.12 3.02 -0.83 -4.87 115.26 101.04 1va9 n ASN 84 Ca 0.13 -0.56 -0.22 0.00 -0.03 0.00 0.00 54.58 53.90 1va9 n ASN 84 Cb 0.45 -4.77 -0.04 0.00 -0.61 0.00 0.00 39.78 34.82 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 -6.15 3.42 1.06 3.41 1.43 -1.13 -5.00 118.68 115.72 1va9 s LEU 85 Ca 0.08 -0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 1va9 s LEU 85 Cb -0.04 -2.01 0.24 0.00 0.03 0.00 0.00 46.19 44.42 1va9 s LEU 85 CO 0.67 -0.48 1.27 -0.75 0.23 0.00 0.00 176.35 177.30 1va9 s LYS 86 N -4.02 -0.13 -0.19 1.70 2.20 -1.26 -4.42 119.74 113.62 1va9 s LYS 86 Ca 0.43 -0.38 -0.09 0.00 -0.36 0.00 0.00 55.97 55.57 1va9 s LYS 86 Cb -0.03 -1.75 -0.05 0.00 -1.51 0.00 0.00 37.83 34.49 1va9 s LYS 86 CO 0.26 -2.93 0.11 0.15 -0.36 0.00 0.00 175.35 172.58 1va9 s LYS 87 N -5.80 4.09 -0.96 4.03 1.02 -1.26 -4.33 119.74 116.53 1va9 s LYS 87 Ca 0.74 -0.25 -0.22 0.00 0.02 0.00 0.00 55.97 56.27 1va9 s LYS 87 Cb -0.04 -3.35 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1va9 s LYS 87 CO 0.54 0.32 0.58 0.34 -0.92 0.00 0.00 175.35 176.21 1va9 n PHE 88 N 3.44 -1.38 -4.04 3.18 7.35 -1.14 -4.92 117.46 119.96 1va9 n PHE 88 Ca -0.16 0.25 -0.13 0.00 -0.76 0.00 0.00 57.45 56.65 1va9 n PHE 88 Cb 0.52 -2.41 -0.12 0.00 0.35 0.00 0.00 39.48 37.81 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 -3.44 0.35 0.13 3.13 0.00 -1.26 -4.77 121.76 115.90 1va9 s ALA 89 Ca 0.30 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1va9 s ALA 89 Cb -0.17 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 1va9 s ALA 89 CO 0.84 -0.02 1.16 -1.14 0.00 0.00 0.00 175.76 176.60 1va9 s GLN 90 N -0.95 4.50 -0.03 0.00 0.74 -1.26 -2.14 119.66 120.53 1va9 s GLN 90 Ca -0.07 1.77 0.01 0.00 0.05 0.00 0.00 55.36 57.13 1va9 s GLN 90 Cb -0.06 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.76 1va9 s GLN 90 CO -0.00 -0.10 -0.05 0.71 -0.55 0.00 0.00 175.29 175.30 1va9 s TYR 91 N 0.34 0.62 -0.17 1.67 2.02 -1.26 -1.37 117.35 119.20 1va9 s TYR 91 Ca 0.54 -0.14 -0.02 0.00 -0.37 0.00 0.00 57.07 57.08 1va9 s TYR 91 Cb -0.30 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1va9 s TYR 91 CO 0.33 -0.11 -0.10 0.20 -1.57 0.00 0.00 175.55 174.31 1va9 s GLY 92 N 0.47 1.57 0.23 0.71 0.00 -1.03 -2.85 107.32 106.42 1va9 s GLY 92 Ca -0.06 -1.02 0.08 0.00 0.00 0.00 0.00 44.72 43.72 1va9 s GLY 92 CO -0.00 0.10 -0.12 0.54 0.00 0.00 0.00 173.10 173.61 1va9 s VAL 93 N 0.87 1.75 -0.04 1.40 0.11 -1.25 -1.97 120.40 121.25 1va9 s VAL 93 Ca -0.03 -2.20 -0.01 0.00 -2.93 0.00 0.00 61.98 56.82 1va9 s VAL 93 Cb -0.15 -2.17 0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1va9 s VAL 93 CO 0.00 -0.51 0.02 0.68 -3.33 0.00 0.00 175.10 171.97 1va9 s VAL 94 N -2.96 0.14 0.04 2.04 -7.23 0.17 -3.61 120.40 108.99 1va9 s VAL 94 Ca 0.25 0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 60.55 1va9 s VAL 94 Cb 0.00 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 1va9 s VAL 94 CO 0.09 0.18 0.28 -0.69 -0.31 0.00 0.00 175.10 174.64 1va9 s VAL 95 N 1.52 5.29 -0.04 1.32 1.01 -1.26 -1.38 120.40 126.86 1va9 s VAL 95 Ca -0.03 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1va9 s VAL 95 Cb -0.13 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1va9 s VAL 95 CO -0.03 0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.59 1va9 s GLN 96 N -2.00 0.45 -0.24 2.72 -2.07 -0.65 -0.96 119.66 116.92 1va9 s GLN 96 Ca 0.31 -0.03 -0.19 0.00 -1.82 0.00 0.00 55.36 53.63 1va9 s GLN 96 Cb -0.13 0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 31.96 1va9 s GLN 96 CO 0.19 -0.10 0.54 0.00 -1.32 0.00 0.00 175.29 174.60 1va9 s ALA 97 N -0.73 3.58 -0.07 2.60 0.00 -1.26 -0.69 121.76 125.18 1va9 s ALA 97 Ca -0.08 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1va9 s ALA 97 Cb -0.04 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1va9 s ALA 97 CO 0.02 -0.64 -0.17 -0.59 0.00 0.00 0.00 175.76 174.38 1va9 s PHE 98 N 2.09 1.86 0.46 0.00 -0.12 0.19 -1.58 117.98 120.88 1va9 s PHE 98 Ca 0.23 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 1va9 s PHE 98 Cb -0.16 -1.29 -0.02 0.00 -0.63 0.00 0.00 43.02 40.92 1va9 s PHE 98 CO 0.09 -0.29 0.05 0.54 -0.05 0.00 0.00 175.22 175.57 1va9 s ASN 99 N 0.39 3.52 0.61 1.98 2.20 0.33 -1.24 114.94 122.73 1va9 s ASN 99 Ca -0.13 -1.63 0.40 0.00 -0.94 0.00 0.00 52.86 50.57 1va9 s ASN 99 Cb -0.15 0.42 2.08 0.00 -2.00 0.00 0.00 41.25 41.60 1va9 s ASN 99 CO 0.05 -0.84 2.23 0.03 -2.94 0.00 0.00 177.10 175.62 1va9 h ARG 100 N 1.58 0.00 0.00 3.55 3.08 -1.96 0.11 114.38 120.74 1va9 h ARG 100 Ca -0.41 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 1va9 h ARG 100 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1va9 h ARG 100 CO 0.68 0.00 -0.52 0.00 -1.07 0.00 0.00 179.97 179.06 1va9 h ALA 101 N 2.01 0.70 0.00 0.04 0.00 -1.88 -3.50 119.26 116.63 1va9 h ALA 101 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1va9 h ALA 101 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1va9 h ALA 101 CO 0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1va9 n GLY 102 N 1.06 0.16 3.27 0.00 0.00 0.38 -4.21 105.19 105.85 1va9 n GLY 102 Ca 0.01 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.04 1.70 0.00 2.61 2.01 -1.26 0.12 115.64 117.78 1va9 s THR 103 Ca 0.00 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.63 1va9 s THR 103 Cb 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 71.00 1va9 s THR 103 CO 0.00 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1va9 n GLY 104 N 1.48 2.31 3.81 4.40 0.00 -0.61 -4.61 105.19 111.96 1va9 n GLY 104 Ca -0.18 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.37 1va9 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va9 s PRO 105 N -1.80 3.46 0.54 1.61 0.04 -1.26 -4.71 135.00 132.88 1va9 s PRO 105 Ca 0.00 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 1va9 s PRO 105 Cb 0.00 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1va9 s PRO 105 CO 0.00 -0.69 0.79 -1.12 0.04 0.00 0.00 177.00 176.01 1va9 s SER 106 N -2.69 5.49 0.42 6.66 0.01 -1.26 -3.58 113.70 118.75 1va9 s SER 106 Ca 0.64 0.29 -0.07 0.00 1.31 0.00 0.00 55.95 58.11 1va9 s SER 106 Cb -0.15 -1.30 -0.05 0.00 0.21 0.00 0.00 66.02 64.72 1va9 s SER 106 CO 0.34 -1.02 0.74 -0.94 0.41 0.00 0.00 173.24 172.77 1va9 s SER 107 N -4.34 6.40 1.00 2.44 1.04 -0.14 -4.66 113.70 115.44 1va9 s SER 107 Ca 0.54 0.97 -0.19 0.00 0.48 0.00 0.00 55.95 57.75 1va9 s SER 107 Cb -0.10 -2.26 -0.13 0.00 0.10 0.00 0.00 66.02 63.63 1va9 s SER 107 CO 0.40 -0.45 -0.78 -1.20 0.98 0.00 0.00 173.24 172.19 1va9 n SER 108 N -1.67 -4.73 -4.67 7.02 7.64 -1.26 -4.53 113.62 111.42 1va9 n SER 108 Ca 0.01 0.15 -0.40 0.00 1.01 0.00 0.00 58.87 59.63 1va9 n SER 108 Cb 0.54 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 1va9 n SER 108 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1va9 s GLU 109 N -2.27 4.25 0.17 1.43 2.12 -1.26 -4.77 118.70 118.37 1va9 s GLU 109 Ca 0.42 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.51 1va9 s GLU 109 Cb -0.12 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.72 1va9 s GLU 109 CO 0.77 -0.24 0.14 0.44 -0.54 0.00 0.00 175.26 175.83 1va9 n ILE 110 N 4.62 0.00 -3.72 -3.70 -5.35 -1.24 -5.00 119.36 104.98 1va9 n ILE 110 Ca 0.00 -0.66 -0.11 0.00 -0.27 0.00 0.00 62.75 61.72 1va9 n ILE 110 Cb 0.50 -0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.99 -0.12 -0.36 7.28 4.22 -1.26 -3.88 114.94 118.83 1va9 s ASN 111 Ca 0.10 -0.33 -0.02 0.00 -2.14 0.00 0.00 52.86 50.47 1va9 s ASN 111 Cb -0.01 0.40 0.19 0.00 1.28 0.00 0.00 41.25 43.11 1va9 s ASN 111 CO 0.07 -0.74 0.88 0.00 -2.04 0.00 0.00 177.10 175.26 1va9 s ALA 112 N -3.35 -3.60 0.23 3.54 0.00 -1.13 -4.72 121.76 112.73 1va9 s ALA 112 Ca 0.00 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.48 1va9 s ALA 112 Cb 0.02 -2.90 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 1va9 s ALA 112 CO -0.08 -2.38 1.65 2.41 0.00 0.00 0.00 175.76 177.36 1va9 n THR 113 N 3.96 0.34 -0.43 0.00 -1.04 -1.26 -4.24 114.28 111.62 1va9 n THR 113 Ca 0.08 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.70 1va9 n THR 113 Cb 0.61 -1.90 0.28 0.00 -1.82 0.00 0.00 70.33 67.50 1va9 n THR 113 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1va9 s THR 114 N 0.74 1.42 0.20 12.58 -4.23 -0.91 -4.75 115.64 120.68 1va9 s THR 114 Ca 0.72 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 61.01 1va9 s THR 114 Cb -0.53 -2.08 -0.08 0.00 1.34 0.00 0.00 72.50 71.15 1va9 s THR 114 CO 0.38 0.00 0.75 -0.76 -0.54 0.00 0.00 174.62 174.45 1va9 s LEU 115 N -7.68 4.45 0.00 4.79 1.43 -1.26 -4.02 118.68 116.39 1va9 s LEU 115 Ca 0.69 1.52 0.27 0.00 -1.03 0.00 0.00 54.13 55.58 1va9 s LEU 115 Cb -0.16 -3.45 0.85 0.00 0.03 0.00 0.00 46.19 43.46 1va9 s LEU 115 CO 0.60 0.11 1.63 1.21 0.23 0.00 0.00 176.35 180.13 1va9 n GLU 116 N 1.11 1.67 -2.32 1.70 2.13 -1.26 -2.87 120.64 120.80 1va9 n GLU 116 Ca -0.04 -1.07 -0.00 0.00 0.66 0.00 0.00 57.16 56.71 1va9 n GLU 116 Cb 0.50 -1.48 -0.00 0.00 0.27 0.00 0.00 31.44 30.73 1va9 n GLU 116 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1va9 n SER 117 N 0.27 -9.38 0.00 4.31 7.64 -1.26 -4.96 113.62 110.24 1va9 n SER 117 Ca 0.17 1.83 0.00 0.00 1.01 0.00 0.00 58.87 61.88 1va9 n SER 117 Cb 0.40 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.46 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 1.79 1.93 3.72 0.23 0.00 -1.26 -5.14 105.19 106.46 1va9 n GLY 118 Ca -0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 1.36 4.51 -0.40 1.61 0.04 -1.26 -5.01 135.00 135.85 1va9 s PRO 119 Ca 0.00 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1va9 s PRO 119 Cb 0.00 -3.32 0.09 0.00 0.04 0.00 0.00 34.50 31.30 1va9 s PRO 119 CO 0.00 -0.10 0.20 -1.12 0.04 0.00 0.00 177.00 176.02 1va9 s SER 120 N 0.54 5.38 -0.09 6.66 0.01 -1.26 -5.05 113.70 119.90 1va9 s SER 120 Ca 0.54 -1.67 -0.05 0.00 1.31 0.00 0.00 55.95 56.08 1va9 s SER 120 Cb -0.29 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.10 1va9 s SER 120 CO 0.32 -0.50 0.21 -0.55 0.41 0.00 0.00 173.24 173.13 1va9 s SER 121 N 1.90 -0.22 0.00 2.44 0.15 -1.26 -5.33 113.70 111.38 1va9 s SER 121 Ca 0.04 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1va9 s SER 121 Cb -0.23 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1va9 s SER 121 CO -0.01 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.89