#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 0.00 -2.12 1.61 2.88 -1.26 -5.13 113.62 109.59 1va9 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1va9 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1va9 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1va9 n SER 3 N 0.00 -9.08 -1.04 -3.46 7.64 -1.26 -5.05 113.62 101.37 1va9 n SER 3 Ca 0.00 1.48 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1va9 n SER 3 Cb 0.00 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.11 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 1.89 1.41 3.33 0.23 0.00 -1.26 -5.13 105.19 105.65 1va9 n GLY 4 Ca 0.00 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 1va9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1va9 s SER 5 N -1.00 2.44 0.04 1.61 1.04 -1.26 -5.08 113.70 111.50 1va9 s SER 5 Ca 0.00 -1.00 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 1va9 s SER 5 Cb 0.00 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 1va9 s SER 5 CO 0.00 -0.19 -0.06 -0.24 0.98 0.00 0.00 173.24 173.73 1va9 n SER 6 N -0.29 1.22 0.00 7.02 2.88 -1.26 -5.15 113.62 118.04 1va9 n SER 6 Ca -0.09 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1va9 n SER 6 Cb 0.60 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1va9 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va9 n GLY 7 N 3.10 3.53 2.41 0.46 0.00 -1.26 -5.10 105.19 108.33 1va9 n GLY 7 Ca -0.03 -1.12 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00-12.30 -2.98 -0.61 5.41 -1.26 -4.92 119.36 102.70 1va9 n ILE 8 Ca 0.00 2.84 -0.01 0.00 1.00 0.00 0.00 62.75 66.59 1va9 n ILE 8 Cb 0.00 -5.86 0.00 0.00 -0.71 0.00 0.00 39.64 33.07 1va9 n ILE 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1va9 s SER 9 N -0.57 -1.26 -0.25 4.38 0.01 -1.26 -4.64 113.70 110.11 1va9 s SER 9 Ca -0.07 -0.96 -0.30 0.00 1.31 0.00 0.00 55.95 55.94 1va9 s SER 9 Cb 0.00 1.62 0.17 0.00 0.21 0.00 0.00 66.02 68.03 1va9 s SER 9 CO 0.19 -0.10 1.26 0.28 0.41 0.00 0.00 173.24 175.27 1va9 s THR 10 N 1.50 0.00 -0.64 1.44 -1.32 -1.26 -5.02 115.64 110.34 1va9 s THR 10 Ca 0.21 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.62 1va9 s THR 10 Cb -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 1va9 s THR 10 CO -0.08 0.00 0.43 -1.84 -2.21 0.00 0.00 174.62 170.92 1va9 n GLU 11 N 0.51 -0.91 -3.42 7.08 0.28 -1.26 -4.89 120.64 118.03 1va9 n GLU 11 Ca -0.02 0.34 -0.29 0.00 -0.16 0.00 0.00 57.16 57.03 1va9 n GLU 11 Cb 0.59 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.94 1va9 n GLU 11 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1va9 s GLU 12 N -4.73 3.64 0.01 3.44 2.02 -1.26 -4.99 118.70 116.82 1va9 s GLU 12 Ca 0.09 -0.01 0.04 0.00 0.02 0.00 0.00 54.97 55.10 1va9 s GLU 12 Cb -0.05 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 1va9 s GLU 12 CO 0.63 0.27 -0.12 0.00 0.02 0.00 0.00 175.26 176.06 1va9 s ALA 13 N -1.99 0.99 0.69 5.21 0.00 -1.14 -4.71 121.76 120.81 1va9 s ALA 13 Ca 0.43 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 1va9 s ALA 13 Cb -0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1va9 s ALA 13 CO 0.28 0.21 0.50 0.00 0.00 0.00 0.00 175.76 176.76 1va9 n ALA 14 N 2.42 -1.50 -1.90 0.00 0.00 -1.26 -4.58 120.51 113.68 1va9 n ALA 14 Ca -0.16 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 1va9 n ALA 14 Cb 0.56 -1.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.58 4.63 -0.64 0.00 0.04 -1.26 -4.77 135.00 130.42 1va9 s PRO 15 Ca 0.66 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.47 1va9 s PRO 15 Cb -0.37 -3.23 0.39 0.00 0.04 0.00 0.00 34.50 31.33 1va9 s PRO 15 CO 0.58 0.16 1.59 -0.25 0.04 0.00 0.00 177.00 179.11 1va9 n ASP 16 N 1.76 6.18 0.00 6.66 8.00 -1.21 -3.91 116.55 134.03 1va9 n ASP 16 Ca 0.01 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.73 1va9 n ASP 16 Cb 0.45 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 -0.53 2.31 3.78 0.44 0.00 -1.26 -4.94 105.19 104.98 1va9 n GLY 17 Ca 0.47 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.34 0.39 0.91 1.61 0.04 -1.25 -4.59 135.00 130.76 1va9 s PRO 18 Ca 0.00 0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.93 1va9 s PRO 18 Cb 0.00 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.90 1va9 s PRO 18 CO 0.00 -2.65 1.14 -1.25 0.04 0.00 0.00 177.00 174.27 1va9 s PRO 19 N -5.48 1.19 0.30 0.56 0.04 -1.26 -4.05 135.00 126.31 1va9 s PRO 19 Ca 0.68 0.31 0.08 0.00 0.04 0.00 0.00 61.00 62.11 1va9 s PRO 19 Cb -0.10 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1va9 s PRO 19 CO 0.54 -2.17 0.13 -1.64 0.04 0.00 0.00 177.00 173.90 1va9 s MET 20 N -5.27 2.49 -1.27 4.56 -1.94 -0.68 -4.64 119.30 112.55 1va9 s MET 20 Ca 0.64 -1.40 -0.03 0.00 -1.71 0.00 0.00 55.69 53.19 1va9 s MET 20 Cb -0.15 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.42 1va9 s MET 20 CO 0.53 0.23 1.05 -3.47 -0.01 0.00 0.00 175.02 173.35 1va9 n ASP 21 N -1.11 -3.56 -4.52 3.03 2.03 -1.26 0.11 116.55 111.26 1va9 n ASP 21 Ca -0.05 -0.61 -0.43 0.00 0.52 0.00 0.00 54.79 54.23 1va9 n ASP 21 Cb 0.60 -5.01 -0.04 0.00 -0.72 0.00 0.00 41.12 35.95 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 -3.36 4.38 0.01 5.18 1.01 -1.26 -3.44 120.40 122.92 1va9 s VAL 22 Ca 0.22 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 1va9 s VAL 22 Cb -0.10 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1va9 s VAL 22 CO 0.74 -1.12 0.31 0.28 0.00 0.00 0.00 175.10 175.31 1va9 s THR 23 N 3.98 0.07 0.16 3.92 -1.32 -1.15 -4.95 115.64 116.34 1va9 s THR 23 Ca 0.31 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 60.29 1va9 s THR 23 Cb -0.12 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 1va9 s THR 23 CO 0.19 -0.30 0.08 -0.76 -2.21 0.00 0.00 174.62 171.62 1va9 s LEU 24 N -1.63 3.62 -0.20 9.08 2.01 -1.26 -2.71 118.68 127.59 1va9 s LEU 24 Ca -0.10 -0.22 -0.05 0.00 0.01 0.00 0.00 54.13 53.77 1va9 s LEU 24 Cb -0.03 -2.25 0.10 0.00 0.01 0.00 0.00 46.19 44.02 1va9 s LEU 24 CO 0.01 0.08 0.36 -1.58 1.01 0.00 0.00 176.35 176.23 1va9 s GLN 25 N -2.99 0.29 -0.39 1.70 0.74 -0.33 -4.95 119.66 113.73 1va9 s GLN 25 Ca 0.29 0.73 -0.29 0.00 0.05 0.00 0.00 55.36 56.15 1va9 s GLN 25 Cb -0.10 -0.16 0.01 0.00 1.10 0.00 0.00 33.01 33.86 1va9 s GLN 25 CO 0.21 -0.44 1.40 -1.25 -0.55 0.00 0.00 175.29 174.67 1va9 s PRO 26 N 2.53 3.63 -0.15 1.67 0.04 -1.26 0.12 135.00 141.58 1va9 s PRO 26 Ca 0.05 1.00 0.10 0.00 0.04 0.00 0.00 61.00 62.19 1va9 s PRO 26 Cb -0.14 -4.00 -0.23 0.00 0.04 0.00 0.00 34.50 30.17 1va9 s PRO 26 CO -0.13 -1.50 0.24 1.33 0.04 0.00 0.00 177.00 176.99 1va9 n VAL 27 N 6.93 1.54 -2.03 -0.36 0.24 -1.25 -4.93 118.33 118.46 1va9 n VAL 27 Ca 0.16 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1va9 n VAL 27 Cb 0.48 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 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 -3.05 0.00 0.18 3.34 -2.24 -1.25 -4.84 114.28 106.41 1va9 n THR 28 Ca -0.30 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1va9 n THR 28 Cb 1.08 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.56 -2.01 3.42 7.64 -1.26 -3.83 113.62 119.15 1va9 n SER 29 Ca 0.00 -0.39 -0.01 0.00 1.01 0.00 0.00 58.87 59.48 1va9 n SER 29 Cb 0.00 1.12 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 -1.38 1.28 -3.59 1.43 6.02 -1.26 -3.89 117.38 115.99 1va9 n GLN 30 Ca 0.00 -3.00 -0.09 0.00 -0.01 0.00 0.00 57.00 53.91 1va9 n GLN 30 Cb 0.13 -1.08 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 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 -3.05 -0.40 -0.12 1.08 0.15 -1.26 -1.27 113.70 108.84 1va9 s SER 31 Ca 0.33 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.67 1va9 s SER 31 Cb 0.36 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1va9 s SER 31 CO -0.08 -0.99 0.32 -0.63 1.20 0.00 0.00 173.24 173.05 1va9 s ILE 32 N -3.61 -0.00 -0.38 6.45 1.01 -0.01 -3.96 121.20 120.69 1va9 s ILE 32 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.52 1va9 s ILE 32 Cb -0.02 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 42.01 1va9 s ILE 32 CO -0.05 0.00 0.57 -1.58 0.00 0.00 0.00 174.94 173.88 1va9 s GLN 33 N 0.20 3.49 -0.39 2.79 0.74 0.32 -0.29 119.66 126.53 1va9 s GLN 33 Ca -0.00 -0.23 -0.13 0.00 0.05 0.00 0.00 55.36 55.05 1va9 s GLN 33 Cb -0.02 -3.86 0.03 0.00 1.10 0.00 0.00 33.01 30.25 1va9 s GLN 33 CO 0.00 -0.79 0.25 0.08 -0.55 0.00 0.00 175.29 174.29 1va9 s VAL 34 N 2.56 4.89 -0.04 1.34 1.01 -0.19 -1.18 120.40 128.80 1va9 s VAL 34 Ca 0.20 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1va9 s VAL 34 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1va9 s VAL 34 CO 0.15 -0.28 -0.10 0.42 0.00 0.00 0.00 175.10 175.29 1va9 s THR 35 N 1.61 3.39 0.19 3.92 -4.23 -1.10 -0.40 115.64 119.03 1va9 s THR 35 Ca 0.03 -0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.68 1va9 s THR 35 Cb -0.19 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.29 1va9 s THR 35 CO 0.08 0.53 0.52 -1.66 -0.54 0.00 0.00 174.62 173.55 1va9 s TRP 36 N -0.83 -0.12 0.35 3.99 -2.14 -0.72 -2.95 118.94 116.52 1va9 s TRP 36 Ca 0.13 -0.23 0.07 0.00 2.66 0.00 0.00 56.10 58.74 1va9 s TRP 36 Cb -0.11 0.39 -0.07 0.00 -3.10 0.00 0.00 33.47 30.58 1va9 s TRP 36 CO 0.03 -0.91 -0.03 0.15 -2.66 0.00 0.00 176.95 173.52 1va9 s LYS 37 N -3.87 1.78 0.41 3.25 1.02 0.30 -1.72 119.74 120.91 1va9 s LYS 37 Ca 0.09 -1.96 -0.23 0.00 0.02 0.00 0.00 55.97 53.90 1va9 s LYS 37 Cb -0.01 -1.44 -0.13 0.00 -0.52 0.00 0.00 37.83 35.73 1va9 s LYS 37 CO -0.03 0.01 0.55 0.00 -0.92 0.00 0.00 175.35 174.96 1va9 n ALA 38 N -0.79 -1.52 -1.30 5.17 0.00 -0.74 -1.68 120.51 119.65 1va9 n ALA 38 Ca -0.05 0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1va9 n ALA 38 Cb 0.65 -1.77 0.14 0.00 0.00 0.00 0.00 19.45 18.47 1va9 n ALA 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1va9 n PRO 39 N 0.62 -1.53 -1.35 0.00 -0.04 -1.26 -3.79 135.00 127.65 1va9 n PRO 39 Ca 0.12 -1.14 -0.46 0.00 -0.04 0.00 0.00 63.50 61.97 1va9 n PRO 39 Cb 0.39 -0.90 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1va9 n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1va9 n LYS 40 N -3.09 0.00 0.08 0.54 4.01 -1.26 -4.75 118.16 113.69 1va9 n LYS 40 Ca 0.10 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.77 1va9 n LYS 40 Cb 0.35 -0.97 -0.08 0.00 -0.51 0.00 0.00 35.03 33.82 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 0.97 -0.18 -1.86 1.97 1.63 -1.99 -2.10 116.57 115.01 1va9 h LYS 41 Ca -0.27 0.01 -0.39 0.00 -0.85 0.00 0.00 60.65 59.15 1va9 h LYS 41 Cb 1.39 0.04 -0.14 0.00 -0.60 0.00 0.00 32.23 32.91 1va9 h LYS 41 CO 0.55 0.12 0.27 -0.85 -3.45 0.00 0.00 179.45 176.09 1va9 n GLU 42 N -5.04 2.12 0.00 1.90 0.28 -1.26 -3.69 120.64 114.95 1va9 n GLU 42 Ca -0.09 -1.85 0.00 0.00 -0.16 0.00 0.00 57.16 55.07 1va9 n GLU 42 Cb 0.20 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.14 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 0.97 0.00 -0.22 -1.84 4.77 -1.14 -4.89 117.00 114.65 1va9 n LEU 43 Ca 0.41 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1va9 n LEU 43 Cb 0.61 0.09 0.23 0.00 -2.33 0.00 0.00 43.42 42.01 1va9 n LEU 43 CO 0.30 -0.24 0.55 0.00 -1.33 0.00 0.00 177.39 176.67 1va9 n GLN 44 N -1.99 -0.05 -3.30 3.23 6.02 -0.80 -3.32 117.38 117.17 1va9 n GLN 44 Ca 0.00 0.97 -0.16 0.00 -0.01 0.00 0.00 57.00 57.80 1va9 n GLN 44 Cb 0.00 -1.57 0.08 0.00 1.02 0.00 0.00 30.24 29.77 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 -4.80 -5.13 0.00 1.08 3.02 -1.26 -4.14 115.26 104.03 1va9 n ASN 45 Ca 0.17 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1va9 n ASN 45 Cb 0.56 -5.16 0.00 0.00 -0.61 0.00 0.00 39.78 34.57 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 -1.20 -2.65 3.61 7.41 0.00 -1.26 -2.89 105.19 108.20 1va9 n GLY 46 Ca -0.14 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 1va9 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va9 s VAL 47 N -0.71 1.93 -0.09 1.61 0.11 -1.26 -5.04 120.40 116.94 1va9 s VAL 47 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1va9 s VAL 47 Cb 0.00 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1va9 s VAL 47 CO 0.00 0.00 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.92 1va9 s ILE 48 N -2.84 1.92 0.06 7.04 -1.09 -1.26 -4.90 121.20 120.12 1va9 s ILE 48 Ca 0.67 -0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 58.08 1va9 s ILE 48 Cb -0.19 -1.67 -0.30 0.00 -1.58 0.00 0.00 42.46 38.73 1va9 s ILE 48 CO 0.59 0.53 1.08 0.03 -1.23 0.00 0.00 174.94 175.94 1va9 h ARG 49 N 6.72 0.33 0.00 2.79 2.47 -1.92 -3.42 114.38 121.35 1va9 h ARG 49 Ca -0.21 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 57.95 1va9 h ARG 49 Cb 1.23 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.76 1va9 h ARG 49 CO 0.47 1.26 0.00 0.41 0.56 0.00 0.00 179.97 182.67 1va9 n GLY 50 N 1.59 -0.13 3.17 0.04 0.00 -0.85 -2.65 105.19 106.36 1va9 n GLY 50 Ca -0.11 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 1.38 -0.12 1.61 1.51 -1.26 0.13 117.35 118.60 1va9 s TYR 51 Ca 0.00 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 55.57 1va9 s TYR 51 Cb 0.00 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 40.98 1va9 s TYR 51 CO 0.00 0.05 0.34 -0.65 -1.11 0.00 0.00 175.55 174.17 1va9 s GLN 52 N -1.09 4.14 -0.49 -0.62 -0.21 0.70 -3.78 119.66 118.30 1va9 s GLN 52 Ca 0.03 0.21 -0.03 0.00 0.02 0.00 0.00 55.36 55.59 1va9 s GLN 52 Cb -0.08 -3.37 0.13 0.00 1.00 0.00 0.00 33.01 30.69 1va9 s GLN 52 CO 0.01 0.36 0.29 0.42 -2.12 0.00 0.00 175.29 174.26 1va9 s ILE 53 N 0.06 3.45 -0.14 1.08 1.09 -1.13 -1.58 121.20 124.03 1va9 s ILE 53 Ca 0.20 -2.40 -0.20 0.00 -1.10 0.00 0.00 60.65 57.15 1va9 s ILE 53 Cb -0.14 -3.32 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 1va9 s ILE 53 CO 0.07 -0.76 0.55 -0.83 -0.10 0.00 0.00 174.94 173.86 1va9 s GLY 54 N 1.39 2.32 -0.02 6.18 0.00 0.08 -3.00 107.32 114.27 1va9 s GLY 54 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 1va9 s GLY 54 CO -0.04 0.98 0.15 -2.52 0.00 0.00 0.00 173.10 171.67 1va9 s TYR 55 N 1.05 -0.05 0.01 1.90 1.13 -0.46 0.19 117.35 121.12 1va9 s TYR 55 Ca 0.28 0.10 -0.23 0.00 -1.41 0.00 0.00 57.07 55.81 1va9 s TYR 55 Cb -0.16 -0.00 0.05 0.00 -1.10 0.00 0.00 41.96 40.75 1va9 s TYR 55 CO 0.11 -0.21 0.52 -0.98 -2.51 0.00 0.00 175.55 172.49 1va9 s ARG 56 N -0.79 0.98 0.48 -3.49 1.70 -1.19 0.12 118.95 116.77 1va9 s ARG 56 Ca -0.09 -0.11 -0.21 0.00 -0.47 0.00 0.00 55.73 54.85 1va9 s ARG 56 Cb -0.05 0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 34.71 1va9 s ARG 56 CO 0.01 -0.33 1.11 -2.00 -1.08 0.00 0.00 175.30 173.01 1va9 s GLU 57 N -1.95 3.70 -0.53 3.89 -6.30 -1.26 -3.19 118.70 113.05 1va9 s GLU 57 Ca -0.08 1.60 0.01 0.00 -2.50 0.00 0.00 54.97 54.00 1va9 s GLU 57 Cb -0.01 -2.23 0.57 0.00 0.00 0.00 0.00 34.13 32.45 1va9 s GLU 57 CO 0.02 -0.56 1.96 0.09 0.02 0.00 0.00 175.26 176.79 1va9 n ASN 58 N -0.79 5.40 -4.59 -1.70 3.02 -1.22 -4.79 115.26 110.60 1va9 n ASN 58 Ca 0.09 -3.66 -0.26 0.00 -0.03 0.00 0.00 54.58 50.72 1va9 n ASN 58 Cb 0.50 -0.90 -0.09 0.00 -0.61 0.00 0.00 39.78 38.69 1va9 n ASN 58 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1va9 s SER 59 N -1.48 4.33 -1.18 6.41 1.04 -1.26 -5.04 113.70 116.52 1va9 s SER 59 Ca 0.59 -0.61 -0.21 0.00 0.48 0.00 0.00 55.95 56.21 1va9 s SER 59 Cb 0.49 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 1va9 s SER 59 CO 0.06 0.07 1.80 -2.16 0.98 0.00 0.00 173.24 173.99 1va9 s PRO 60 N -3.10 3.22 0.00 4.02 0.04 -1.26 -3.17 135.00 134.75 1va9 s PRO 60 Ca 0.27 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 59.91 1va9 s PRO 60 Cb -0.08 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1va9 s PRO 60 CO 0.17 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.58 1va9 n GLY 61 N 5.88 0.12 3.97 0.56 0.00 -1.26 -5.17 105.19 109.28 1va9 n GLY 61 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.12 4.30 0.27 1.61 0.15 -1.19 -4.95 113.70 113.76 1va9 s SER 62 Ca 0.00 -0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.52 1va9 s SER 62 Cb 0.00 -0.39 0.41 0.00 -1.71 0.00 0.00 66.02 64.33 1va9 s SER 62 CO 0.00 -1.90 1.57 -1.13 1.20 0.00 0.00 173.24 172.98 1va9 h ASN 63 N -0.69 -0.89 0.00 5.45 -0.73 -1.94 -3.46 115.58 113.32 1va9 h ASN 63 Ca -0.40 0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.05 1va9 h ASN 63 Cb 1.27 0.58 0.00 0.00 0.27 0.00 0.00 38.32 40.45 1va9 h ASN 63 CO 0.45 -0.31 0.00 0.61 -0.37 0.00 0.00 177.43 177.81 1va9 n GLY 64 N -1.59 0.67 3.78 1.57 0.00 -1.26 -5.10 105.19 103.26 1va9 n GLY 64 Ca 0.14 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1va9 n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1va9 s GLN 65 N 0.00 3.08 -0.48 1.61 -2.07 -1.26 -5.01 119.66 115.54 1va9 s GLN 65 Ca 0.00 -0.46 -0.44 0.00 -1.82 0.00 0.00 55.36 52.64 1va9 s GLN 65 Cb 0.00 -2.88 -0.19 0.00 -1.09 0.00 0.00 33.01 28.86 1va9 s GLN 65 CO 0.00 0.66 1.77 0.66 -1.32 0.00 0.00 175.29 177.06 1va9 n TYR 66 N 1.30 1.43 -1.78 9.60 4.02 -1.26 -4.73 117.16 125.74 1va9 n TYR 66 Ca -0.14 0.94 -0.41 0.00 -0.01 0.00 0.00 57.90 58.28 1va9 n TYR 66 Cb 0.53 -2.17 -0.03 0.00 -0.02 0.00 0.00 39.34 37.65 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 4.19 5.43 0.35 7.72 0.01 0.33 -4.55 113.70 127.18 1va9 s SER 67 Ca 1.08 1.41 -0.14 0.00 1.31 0.00 0.00 55.95 59.61 1va9 s SER 67 Cb -1.44 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 62.19 1va9 s SER 67 CO 0.72 -2.06 0.75 -0.63 0.41 0.00 0.00 173.24 172.44 1va9 s ILE 68 N 8.49 4.70 -0.12 1.44 -1.09 -1.26 -1.36 121.20 132.00 1va9 s ILE 68 Ca 0.90 0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 60.17 1va9 s ILE 68 Cb -0.25 -3.64 0.06 0.00 -1.58 0.00 0.00 42.46 37.05 1va9 s ILE 68 CO 0.32 -0.27 0.16 0.68 -1.23 0.00 0.00 174.94 174.59 1va9 s VAL 69 N -2.09 -0.25 0.22 2.92 -7.23 -1.16 -4.94 120.40 107.88 1va9 s VAL 69 Ca 0.54 0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 60.62 1va9 s VAL 69 Cb -0.10 -0.40 -0.09 0.00 0.56 0.00 0.00 36.38 36.35 1va9 s VAL 69 CO 0.21 0.03 0.91 -0.70 -0.31 0.00 0.00 175.10 175.24 1va9 s GLU 70 N 2.28 4.80 0.35 4.82 2.12 -1.26 -2.84 118.70 128.97 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 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 30.98 1va9 s GLU 70 CO -0.07 0.52 0.46 0.00 -0.54 0.00 0.00 175.26 175.62 1va9 s MET 71 N -1.13 1.91 0.09 4.30 0.23 -1.25 -5.05 119.30 118.40 1va9 s MET 71 Ca 0.40 -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 33.44 1va9 s MET 71 CO 0.31 -0.78 -0.25 -1.59 -2.03 0.00 0.00 175.02 170.67 1va9 s LYS 72 N -3.06 1.50 -0.24 3.16 -2.85 -1.26 -4.03 119.74 112.97 1va9 s LYS 72 Ca 0.32 -1.20 -0.29 0.00 -1.00 0.00 0.00 55.97 53.79 1va9 s LYS 72 Cb -0.00 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1va9 s LYS 72 CO 0.21 0.45 1.15 0.00 0.10 0.00 0.00 175.35 177.26 1va9 s ALA 73 N -0.96 3.59 -0.35 0.59 0.00 -1.08 -4.88 121.76 118.68 1va9 s ALA 73 Ca 0.12 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.36 1va9 s ALA 73 Cb -0.10 -3.63 0.72 0.00 0.00 0.00 0.00 23.12 20.11 1va9 s ALA 73 CO 0.04 -1.28 1.78 0.25 0.00 0.00 0.00 175.76 176.55 1va9 n THR 74 N 5.58 2.86 -0.01 0.00 -2.24 -1.26 -5.00 114.28 114.20 1va9 n THR 74 Ca 0.13 -1.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1va9 n THR 74 Cb 0.46 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.16 0.67 0.11 3.38 0.00 -1.26 -4.89 105.19 103.04 1va9 n GLY 75 Ca 0.41 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 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 0.36 -2.88 1.61 3.32 -1.99 -3.45 116.42 113.39 1va9 h ASP 76 Ca 0.00 -0.86 -0.63 0.00 0.02 0.00 0.00 57.03 55.56 1va9 h ASP 76 Cb 0.00 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1va9 h ASP 76 CO 0.00 1.18 -0.39 -0.94 -1.72 0.00 0.00 179.24 177.38 1va9 s SER 77 N -6.64 6.50 0.09 6.45 1.04 -1.26 -1.78 113.70 118.09 1va9 s SER 77 Ca -0.15 0.56 0.02 0.00 0.48 0.00 0.00 55.95 56.86 1va9 s SER 77 Cb 0.01 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 1va9 s SER 77 CO 0.79 0.27 -0.07 -1.61 0.98 0.00 0.00 173.24 173.60 1va9 s GLU 78 N -1.67 0.79 -0.03 4.02 0.41 -0.70 -4.61 118.70 116.91 1va9 s GLU 78 Ca 0.26 -1.26 -0.16 0.00 -0.41 0.00 0.00 54.97 53.40 1va9 s GLU 78 Cb -0.13 -0.19 0.03 0.00 -1.78 0.00 0.00 34.13 32.05 1va9 s GLU 78 CO 0.15 -0.02 0.35 0.54 -0.49 0.00 0.00 175.26 175.79 1va9 s VAL 79 N -3.38 0.05 -0.12 2.63 0.11 -1.26 -1.76 120.40 116.67 1va9 s VAL 79 Ca 0.09 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1va9 s VAL 79 Cb 0.04 -0.64 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1va9 s VAL 79 CO -0.04 -0.21 0.24 -0.47 -3.33 0.00 0.00 175.10 171.28 1va9 s TYR 80 N -1.17 -0.37 -0.82 1.54 6.14 0.47 -4.98 117.35 118.16 1va9 s TYR 80 Ca -0.12 0.90 -0.21 0.00 0.64 0.00 0.00 57.07 58.28 1va9 s TYR 80 Cb -0.05 -0.08 0.10 0.00 0.42 0.00 0.00 41.96 42.35 1va9 s TYR 80 CO 0.04 -0.34 1.08 0.99 0.64 0.00 0.00 175.55 177.96 1va9 s THR 81 N 2.37 4.50 -0.43 4.34 2.01 -1.26 -1.02 115.64 126.15 1va9 s THR 81 Ca 0.01 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.74 1va9 s THR 81 Cb -0.12 -4.76 -0.01 0.00 0.01 0.00 0.00 72.50 67.62 1va9 s THR 81 CO -0.08 -1.51 1.72 -0.76 -0.69 0.00 0.00 174.62 173.29 1va9 s LEU 82 N 3.43 3.46 0.00 4.42 1.43 0.61 -4.77 118.68 127.26 1va9 s LEU 82 Ca 0.29 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 1va9 s LEU 82 Cb -0.10 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 42.96 1va9 s LEU 82 CO -0.01 -1.83 0.50 -0.90 0.23 0.00 0.00 176.35 174.34 1va9 n ASP 83 N 10.61 1.00 -3.11 2.29 5.68 -1.26 -0.83 116.55 130.93 1va9 n ASP 83 Ca 0.20 -1.77 -0.12 0.00 -0.50 0.00 0.00 54.79 52.61 1va9 n ASP 83 Cb 0.49 -0.30 0.06 0.00 -1.14 0.00 0.00 41.12 40.22 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 -2.77 -6.51 -3.99 -1.12 3.02 -0.40 -4.88 115.26 98.62 1va9 n ASN 84 Ca 0.09 -0.57 -0.25 0.00 -0.03 0.00 0.00 54.58 53.82 1va9 n ASN 84 Cb 0.34 -4.92 -0.05 0.00 -0.61 0.00 0.00 39.78 34.53 1va9 n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1va9 n LEU 85 N -2.90 0.00 -4.95 3.41 4.77 -0.98 -5.00 117.00 111.35 1va9 n LEU 85 Ca -0.06 -2.54 -0.23 0.00 -0.03 0.00 0.00 56.01 53.15 1va9 n LEU 85 Cb 0.60 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1va9 n LEU 85 CO 0.54 -0.37 0.24 -0.75 -1.33 0.00 0.00 177.39 175.73 1va9 s LYS 86 N -3.42 3.26 -0.02 3.23 2.36 -1.26 -4.70 119.74 119.19 1va9 s LYS 86 Ca 0.04 -0.40 -0.27 0.00 -2.55 0.00 0.00 55.97 52.79 1va9 s LYS 86 Cb 0.00 -2.60 -0.04 0.00 -1.05 0.00 0.00 37.83 34.15 1va9 s LYS 86 CO 0.02 -0.09 0.84 0.15 1.55 0.00 0.00 175.35 177.82 1va9 s LYS 87 N -4.46 4.51 -0.66 4.03 -0.14 -1.25 -4.28 119.74 117.48 1va9 s LYS 87 Ca 0.45 1.15 -0.09 0.00 -1.36 0.00 0.00 55.97 56.12 1va9 s LYS 87 Cb -0.10 -3.44 0.01 0.00 -1.68 0.00 0.00 37.83 32.62 1va9 s LYS 87 CO 0.37 0.04 0.56 0.34 -0.76 0.00 0.00 175.35 175.90 1va9 n PHE 88 N 3.70 -1.97 -3.81 3.18 7.35 0.71 -4.95 117.46 121.67 1va9 n PHE 88 Ca 0.02 0.82 -0.12 0.00 -0.76 0.00 0.00 57.45 57.40 1va9 n PHE 88 Cb 0.51 -2.25 -0.11 0.00 0.35 0.00 0.00 39.48 37.99 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 -2.50 -0.53 0.02 3.13 0.00 -1.26 -4.81 121.76 115.81 1va9 s ALA 89 Ca 0.09 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1va9 s ALA 89 Cb -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1va9 s ALA 89 CO 0.81 -0.16 1.19 -1.14 0.00 0.00 0.00 175.76 176.46 1va9 s GLN 90 N -0.54 4.41 -0.04 0.00 0.74 -1.26 -1.64 119.66 121.34 1va9 s GLN 90 Ca -0.06 1.72 0.03 0.00 0.05 0.00 0.00 55.36 57.10 1va9 s GLN 90 Cb -0.04 -3.42 -0.00 0.00 1.10 0.00 0.00 33.01 30.65 1va9 s GLN 90 CO 0.01 -0.31 -0.14 0.71 -0.55 0.00 0.00 175.29 175.02 1va9 s TYR 91 N 1.43 1.37 -0.27 1.67 1.51 -1.24 -3.42 117.35 118.41 1va9 s TYR 91 Ca 0.58 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1va9 s TYR 91 Cb -0.28 -0.94 0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1va9 s TYR 91 CO 0.27 -0.14 -0.04 0.20 -1.11 0.00 0.00 175.55 174.73 1va9 s GLY 92 N 0.11 1.68 0.27 0.71 0.00 -1.19 -2.48 107.32 106.41 1va9 s GLY 92 Ca -0.03 -1.58 0.11 0.00 0.00 0.00 0.00 44.72 43.21 1va9 s GLY 92 CO 0.01 0.59 -0.09 -1.34 0.00 0.00 0.00 173.10 172.27 1va9 s VAL 93 N 1.29 3.04 -0.04 1.40 -7.23 -1.26 -3.14 120.40 114.47 1va9 s VAL 93 Ca -0.02 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 1va9 s VAL 93 Cb -0.18 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.17 1va9 s VAL 93 CO -0.03 -0.39 -0.03 0.68 -0.31 0.00 0.00 175.10 175.02 1va9 s VAL 94 N -2.40 0.42 0.03 1.32 -7.23 0.50 -3.77 120.40 109.26 1va9 s VAL 94 Ca 0.31 -0.05 -0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1va9 s VAL 94 Cb -0.06 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1va9 s VAL 94 CO 0.18 0.20 0.16 -0.69 -0.31 0.00 0.00 175.10 174.64 1va9 s VAL 95 N 1.00 5.13 -0.09 1.32 1.01 -1.26 -0.74 120.40 126.78 1va9 s VAL 95 Ca -0.10 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1va9 s VAL 95 Cb -0.14 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1va9 s VAL 95 CO -0.01 0.23 0.45 0.00 0.00 0.00 0.00 175.10 175.77 1va9 s GLN 96 N -2.18 0.70 -0.24 2.72 -2.07 -0.61 -2.05 119.66 115.92 1va9 s GLN 96 Ca 0.30 0.25 -0.18 0.00 -1.82 0.00 0.00 55.36 53.90 1va9 s GLN 96 Cb -0.13 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.09 1va9 s GLN 96 CO 0.22 -0.16 0.54 0.00 -1.32 0.00 0.00 175.29 174.56 1va9 s ALA 97 N -0.65 3.58 -0.08 2.60 0.00 -1.26 -0.21 121.76 125.74 1va9 s ALA 97 Ca -0.07 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1va9 s ALA 97 Cb -0.03 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1va9 s ALA 97 CO 0.04 -0.66 -0.20 -0.59 0.00 0.00 0.00 175.76 174.35 1va9 s PHE 98 N 2.13 2.59 0.47 0.00 -0.12 0.12 -2.17 117.98 120.99 1va9 s PHE 98 Ca 0.23 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.50 1va9 s PHE 98 Cb -0.16 -1.68 -0.02 0.00 -0.63 0.00 0.00 43.02 40.54 1va9 s PHE 98 CO 0.09 -0.16 0.06 -0.80 -0.05 0.00 0.00 175.22 174.36 1va9 s ASN 99 N -0.09 3.54 0.49 1.98 0.01 0.10 -2.00 114.94 118.97 1va9 s ASN 99 Ca -0.04 -1.67 0.26 0.00 -0.71 0.00 0.00 52.86 50.70 1va9 s ASN 99 Cb -0.14 0.53 1.24 0.00 0.41 0.00 0.00 41.25 43.29 1va9 s ASN 99 CO 0.04 -0.90 1.97 0.03 -1.51 0.00 0.00 177.10 176.74 1va9 h ARG 100 N 1.54 0.00 0.00 -0.60 2.47 -1.97 -1.59 114.38 114.24 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 0.66 0.16 -0.43 0.00 0.56 0.00 0.00 179.97 180.92 1va9 h ALA 101 N 1.84 0.87 0.00 0.04 0.00 -1.89 -3.49 119.26 116.62 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 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1va9 h ALA 101 CO 0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1va9 n GLY 102 N 0.59 -0.65 3.69 0.00 0.00 -0.60 -4.38 105.19 103.85 1va9 n GLY 102 Ca 0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.13 4.13 0.00 2.61 2.01 -1.26 0.01 115.64 121.00 1va9 s THR 103 Ca 0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1va9 s THR 103 Cb 0.00 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1va9 s THR 103 CO 0.00 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1va9 n GLY 104 N 0.89 1.70 3.80 4.40 0.00 -0.92 -4.62 105.19 110.44 1va9 n GLY 104 Ca -0.12 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.00 1.83 0.46 1.61 0.04 -1.26 -4.79 135.00 130.89 1va9 s PRO 105 Ca 0.00 0.54 0.04 0.00 0.04 0.00 0.00 61.00 61.62 1va9 s PRO 105 Cb 0.00 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1va9 s PRO 105 CO 0.00 -1.78 0.64 -1.54 0.04 0.00 0.00 177.00 174.37 1va9 s SER 106 N -3.94 5.59 0.34 6.66 1.04 -1.26 -3.91 113.70 118.21 1va9 s SER 106 Ca 0.62 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.94 1va9 s SER 106 Cb -0.14 -0.94 -0.02 0.00 0.10 0.00 0.00 66.02 65.02 1va9 s SER 106 CO 0.54 -0.84 0.50 -0.94 0.98 0.00 0.00 173.24 173.47 1va9 s SER 107 N -4.33 6.08 -0.22 7.02 1.04 -0.87 -4.57 113.70 117.84 1va9 s SER 107 Ca 0.53 0.07 -0.38 0.00 0.48 0.00 0.00 55.95 56.66 1va9 s SER 107 Cb -0.10 -1.57 -0.14 0.00 0.10 0.00 0.00 66.02 64.31 1va9 s SER 107 CO 0.35 -0.38 1.84 -1.20 0.98 0.00 0.00 173.24 174.83 1va9 n SER 108 N -1.70 2.78 -4.62 7.02 7.64 -1.26 -4.65 113.62 118.83 1va9 n SER 108 Ca -0.03 0.98 -0.43 0.00 1.01 0.00 0.00 58.87 60.41 1va9 n SER 108 Cb 0.57 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 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 3.99 3.53 0.00 1.43 2.12 -1.26 -4.96 118.70 123.55 1va9 s GLU 109 Ca 0.97 1.77 0.00 0.00 0.36 0.00 0.00 54.97 58.07 1va9 s GLU 109 Cb -0.91 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 29.30 1va9 s GLU 109 CO 0.59 -1.63 0.00 -0.89 -0.54 0.00 0.00 175.26 172.80 1va9 n ILE 110 N 6.96 0.00 -3.71 -3.70 -0.00 -1.25 -4.94 119.36 112.72 1va9 n ILE 110 Ca 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.86 1va9 n ILE 110 Cb 0.45 -1.50 -0.10 0.00 -0.00 0.00 0.00 39.64 38.49 1va9 n ILE 110 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1va9 s ASN 111 N -1.00 -0.51 -0.28 4.38 4.22 -1.26 -4.14 114.94 116.35 1va9 s ASN 111 Ca 0.00 0.94 -0.01 0.00 -2.14 0.00 0.00 52.86 51.65 1va9 s ASN 111 Cb 0.00 0.91 0.13 0.00 1.28 0.00 0.00 41.25 43.57 1va9 s ASN 111 CO 0.00 -0.17 0.27 0.00 -2.04 0.00 0.00 177.10 175.16 1va9 s ALA 112 N 0.62 -0.35 -0.06 3.54 0.00 -1.03 -4.91 121.76 119.56 1va9 s ALA 112 Ca -0.03 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1va9 s ALA 112 Cb -0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1va9 s ALA 112 CO -0.04 -1.66 1.49 0.99 0.00 0.00 0.00 175.76 176.54 1va9 s THR 113 N 2.34 3.75 0.51 0.00 2.01 -1.26 -3.70 115.64 119.29 1va9 s THR 113 Ca 0.09 0.99 -0.07 0.00 0.31 0.00 0.00 61.69 63.01 1va9 s THR 113 Cb -0.14 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.84 1va9 s THR 113 CO -0.32 -0.06 0.25 0.35 -0.69 0.00 0.00 174.62 174.16 1va9 n THR 114 N 5.19 0.00 -3.48 -0.82 -2.24 -0.65 -4.76 114.28 107.52 1va9 n THR 114 Ca 0.15 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.69 1va9 n THR 114 Cb 0.43 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 1va9 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1va9 s LEU 115 N 0.00 4.07 0.00 3.22 1.43 -1.25 -4.25 118.68 121.89 1va9 s LEU 115 Ca 0.19 0.40 0.13 0.00 -1.03 0.00 0.00 54.13 53.83 1va9 s LEU 115 Cb -0.03 -3.25 0.04 0.00 0.03 0.00 0.00 46.19 42.97 1va9 s LEU 115 CO 0.16 -0.25 0.82 -1.84 0.23 0.00 0.00 176.35 175.47 1va9 n GLU 116 N -1.64 1.54 -3.64 1.70 0.28 -1.26 -0.21 120.64 117.41 1va9 n GLU 116 Ca -0.05 -0.93 -0.08 0.00 -0.16 0.00 0.00 57.16 55.94 1va9 n GLU 116 Cb 0.56 -1.21 -0.07 0.00 1.43 0.00 0.00 31.44 32.15 1va9 n GLU 116 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1va9 s SER 117 N -1.47 -0.72 0.35 -1.84 0.15 -1.26 -4.95 113.70 103.96 1va9 s SER 117 Ca 0.13 1.23 -0.25 0.00 0.70 0.00 0.00 55.95 57.76 1va9 s SER 117 Cb 0.11 1.28 -0.13 0.00 -1.71 0.00 0.00 66.02 65.57 1va9 s SER 117 CO 0.28 -0.20 0.76 0.61 1.20 0.00 0.00 173.24 175.88 1va9 n GLY 118 N 3.46 -0.94 0.08 9.45 0.00 -1.26 -4.92 105.19 111.06 1va9 n GLY 118 Ca -0.17 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1va9 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1va9 h PRO 119 N 1.31 -0.06 -6.30 1.61 0.13 -1.94 -3.45 132.00 123.30 1va9 h PRO 119 Ca -0.39 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.12 1va9 h PRO 119 Cb 1.38 0.01 0.12 0.00 0.13 0.00 0.00 31.00 32.65 1va9 h PRO 119 CO 0.56 0.57 -0.25 0.43 -0.23 0.00 0.00 178.00 179.08 1va9 n SER 120 N -4.78 -0.21 -3.53 1.44 7.64 -1.26 -4.98 113.62 107.94 1va9 n SER 120 Ca -0.08 1.06 -0.01 0.00 1.01 0.00 0.00 58.87 60.85 1va9 n SER 120 Cb 0.32 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 1va9 n SER 120 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1va9 s SER 121 N -0.82 -0.63 0.00 6.43 0.15 -1.26 -5.21 113.70 112.36 1va9 s SER 121 Ca 0.62 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1va9 s SER 121 Cb -0.72 1.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1va9 s SER 121 CO 0.58 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.50