#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi s SER 2 N 0.00 -0.50 0.31 7.83 0.01 -1.26 -5.12 113.70 114.97 1nxi s SER 2 Ca 0.00 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1nxi s SER 2 Cb 0.00 0.94 0.00 0.00 0.21 0.00 0.00 66.02 67.17 1nxi s SER 2 CO 0.00 -0.17 0.00 1.41 0.41 0.00 0.00 173.24 174.89 1nxi n HIS 3 N 2.98 -1.50 -0.13 2.43 8.25 -1.26 -4.59 115.22 121.40 1nxi n HIS 3 Ca -0.14 0.08 -0.24 0.00 -0.26 0.00 0.00 57.72 57.16 1nxi n HIS 3 Cb 0.57 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.51 1nxi n HIS 3 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1nxi n GLN 4 N -0.82 0.58 -3.28 -0.41 6.02 -1.26 -4.84 117.38 113.38 1nxi n GLN 4 Ca 0.00 0.20 -0.44 0.00 -0.01 0.00 0.00 57.00 56.76 1nxi n GLN 4 Cb 0.03 -1.46 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 1nxi n GLN 4 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1nxi s ASP 5 N -6.98 6.19 0.68 1.08 2.15 -1.26 -5.05 116.67 113.48 1nxi s ASP 5 Ca -0.35 -0.92 0.00 0.00 0.43 0.00 0.00 52.55 51.71 1nxi s ASP 5 Cb 0.12 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 1nxi s ASP 5 CO 0.50 -0.71 0.00 0.47 -0.17 0.00 0.00 175.17 175.26 1nxi n ASP 6 N 5.71 0.00 -4.21 -0.34 9.92 -1.26 -5.06 116.55 121.31 1nxi n ASP 6 Ca -0.08 -0.99 -0.34 0.00 -0.53 0.00 0.00 54.79 52.85 1nxi n ASP 6 Cb 0.46 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.79 1nxi n ASP 6 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1nxi s TYR 7 N -0.36 2.99 0.43 1.24 2.02 -1.26 -5.11 117.35 117.30 1nxi s TYR 7 Ca 0.00 -1.43 0.08 0.00 -0.37 0.00 0.00 57.07 55.35 1nxi s TYR 7 Cb 0.00 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1nxi s TYR 7 CO 0.00 -0.70 0.44 -0.48 -1.57 0.00 0.00 175.55 173.24 1nxi s LEU 8 N 1.35 3.41 -0.33 -1.29 2.34 -1.26 -5.11 118.68 117.80 1nxi s LEU 8 Ca 0.02 -0.70 -0.01 0.00 0.06 0.00 0.00 54.13 53.51 1nxi s LEU 8 Cb -0.15 -2.14 0.19 0.00 -0.56 0.00 0.00 46.19 43.53 1nxi s LEU 8 CO -0.06 -0.73 0.80 -0.44 -1.06 0.00 0.00 176.35 174.87 1nxi s SER 9 N -4.21 -1.05 0.57 1.48 0.01 -1.26 -4.98 113.70 104.25 1nxi s SER 9 Ca 0.50 -0.17 0.34 0.00 1.31 0.00 0.00 55.95 57.93 1nxi s SER 9 Cb -0.05 1.51 1.16 0.00 0.21 0.00 0.00 66.02 68.85 1nxi s SER 9 CO 0.29 -0.16 1.34 1.33 0.41 0.00 0.00 173.24 176.45 1nxi n VAL 10 N 4.74 0.00 0.19 3.43 0.24 -1.26 0.29 118.33 125.96 1nxi n VAL 10 Ca 0.08 1.29 -0.09 0.00 -2.04 0.00 0.00 64.34 63.58 1nxi n VAL 10 Cb 0.58 -2.25 -0.04 0.00 -1.47 0.00 0.00 33.84 30.65 1nxi n VAL 10 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1nxi h GLU 11 N 0.00 -0.53 -0.16 7.34 4.22 -1.99 0.88 114.58 124.35 1nxi h GLU 11 Ca 0.63 0.04 0.05 0.00 0.08 0.00 0.00 59.36 60.15 1nxi h GLU 11 Cb 3.12 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 32.49 1nxi h GLU 11 CO -0.01 -0.33 0.12 1.05 -2.18 0.00 0.00 179.01 177.66 1nxi h GLU 12 N -1.14 0.00 0.30 1.92 4.11 -0.56 -1.62 114.58 117.59 1nxi h GLU 12 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1nxi h GLU 12 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nxi h GLU 12 CO 0.09 0.00 -0.14 -0.07 0.07 0.00 0.00 179.01 178.96 1nxi h LEU 13 N 0.00 -0.34 -0.93 3.06 3.38 -0.99 -2.77 115.31 116.72 1nxi h LEU 13 Ca 0.08 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.33 1nxi h LEU 13 Cb 0.31 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.00 1nxi h LEU 13 CO -0.00 0.02 0.27 0.40 0.09 0.00 0.00 178.44 179.22 1nxi h ILE 14 N -0.93 0.22 0.50 1.22 2.04 -0.55 0.16 117.51 120.16 1nxi h ILE 14 Ca -0.04 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1nxi h ILE 14 Cb 0.31 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1nxi h ILE 14 CO 0.07 0.03 -0.44 -0.08 0.00 0.00 0.00 178.15 177.73 1nxi h GLU 15 N 0.16 -0.90 -0.37 2.37 4.57 -1.33 0.83 114.58 119.92 1nxi h GLU 15 Ca 0.62 0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.94 1nxi h GLU 15 Cb 1.34 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 30.05 1nxi h GLU 15 CO -0.72 -0.60 -0.17 0.82 -1.18 0.00 0.00 179.01 177.17 1nxi h ILE 16 N -0.93 0.48 -0.49 2.32 2.04 -0.47 -0.55 117.51 119.91 1nxi h ILE 16 Ca -0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.90 1nxi h ILE 16 Cb 0.80 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1nxi h ILE 16 CO -0.03 0.00 0.04 -0.61 0.00 0.00 0.00 178.15 177.55 1nxi h GLN 17 N -0.11 0.16 -0.46 2.37 5.75 -0.68 -0.76 115.11 121.39 1nxi h GLN 17 Ca 0.18 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.75 1nxi h GLN 17 Cb 0.39 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 1nxi h GLN 17 CO -0.44 0.11 0.09 -0.22 -2.65 0.00 0.00 178.83 175.72 1nxi h LYS 18 N 0.16 0.22 0.08 1.69 3.64 0.68 0.43 116.57 123.48 1nxi h LYS 18 Ca 0.25 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1nxi h LYS 18 Cb 0.36 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1nxi h LYS 18 CO -0.38 0.15 -0.06 0.93 -2.27 0.00 0.00 179.45 177.82 1nxi h GLU 19 N 0.23 -0.14 -0.42 1.90 4.39 -0.10 -0.37 114.58 120.07 1nxi h GLU 19 Ca 0.23 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.98 1nxi h GLU 19 Cb 0.29 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 1nxi h GLU 19 CO -0.30 -0.09 -0.38 0.93 -1.16 0.00 0.00 179.01 178.01 1nxi h GLU 20 N -0.14 -0.16 -0.29 2.33 5.08 -1.18 -1.39 114.58 118.83 1nxi h GLU 20 Ca -0.01 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1nxi h GLU 20 Cb 0.12 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1nxi h GLU 20 CO 0.00 -0.11 -0.17 2.41 -1.00 0.00 0.00 179.01 180.15 1nxi n THR 21 N -4.49 -0.19 -0.33 1.13 -1.04 0.13 0.77 114.28 110.25 1nxi n THR 21 Ca -0.01 1.68 0.09 0.00 -2.04 0.00 0.00 64.05 63.77 1nxi n THR 21 Cb 0.21 -2.17 0.18 0.00 -1.82 0.00 0.00 70.33 66.72 1nxi n THR 21 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1nxi n ARG 22 N -3.62 -0.08 0.14 -2.82 3.00 -0.15 0.53 116.66 113.65 1nxi n ARG 22 Ca 0.01 1.45 -0.13 0.00 -0.00 0.00 0.00 57.85 59.17 1nxi n ARG 22 Cb 0.07 -2.21 -0.06 0.00 0.00 0.00 0.00 32.46 30.27 1nxi n ARG 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1nxi h ASP 23 N 0.00 -0.75 0.47 6.15 3.58 0.14 0.84 116.42 126.84 1nxi h ASP 23 Ca 0.49 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 58.00 1nxi h ASP 23 Cb 0.85 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 1nxi h ASP 23 CO -0.94 -0.37 -0.28 0.40 -2.88 0.00 0.00 179.24 175.17 1nxi h ILE 24 N -0.51 0.00 -0.96 2.25 2.04 0.16 -1.59 117.51 118.90 1nxi h ILE 24 Ca 0.02 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.14 1nxi h ILE 24 Cb 0.51 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.42 1nxi h ILE 24 CO -0.12 0.00 0.04 0.40 0.00 0.00 0.00 178.15 178.47 1nxi h ILE 25 N -0.70 0.07 -0.74 -0.67 1.08 -0.74 0.97 117.51 116.78 1nxi h ILE 25 Ca -0.06 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 1nxi h ILE 25 Cb 0.56 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 1nxi h ILE 25 CO 0.07 0.01 0.45 1.56 -0.69 0.00 0.00 178.15 179.54 1nxi h GLN 26 N 0.03 0.83 -0.53 2.37 1.08 -0.43 -1.22 115.11 117.24 1nxi h GLN 26 Ca 0.58 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.71 1nxi h GLN 26 Cb 1.17 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 1nxi h GLN 26 CO -0.88 0.55 0.24 0.00 -0.95 0.00 0.00 178.83 177.79 1nxi h ALA 27 N 1.34 0.68 0.19 3.87 0.00 0.19 -1.05 119.26 124.48 1nxi h ALA 27 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1nxi h ALA 27 Cb 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1nxi h ALA 27 CO -0.14 0.26 -0.09 -0.07 0.00 0.00 0.00 179.25 179.21 1nxi h LEU 28 N 0.71 -0.21 0.33 0.00 3.38 -0.58 -1.83 115.31 117.10 1nxi h LEU 28 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nxi h LEU 28 Cb 0.14 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1nxi h LEU 28 CO -0.02 -0.12 -0.31 -0.07 0.09 0.00 0.00 178.44 178.01 1nxi h LEU 29 N -0.28 -0.84 -1.91 1.67 3.38 -1.12 -0.28 115.31 115.93 1nxi h LEU 29 Ca -0.03 0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.28 1nxi h LEU 29 Cb 0.22 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1nxi h LEU 29 CO 0.04 -0.45 0.74 -0.08 0.09 0.00 0.00 178.44 178.78 1nxi h GLU 30 N -0.67 0.00 0.00 1.13 4.81 -1.10 1.67 114.58 120.42 1nxi h GLU 30 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1nxi h GLU 30 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1nxi h GLU 30 CO -0.05 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 178.45 1nxi h ASP 31 N 0.00 0.00 -0.90 1.04 3.58 -0.16 -3.47 116.42 116.51 1nxi h ASP 31 Ca 0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.88 1nxi h ASP 31 Cb 1.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1nxi h ASP 31 CO -0.00 0.00 -0.02 0.61 -2.88 0.00 0.00 179.24 176.95 1nxi n GLY 32 N 0.33 0.79 0.00 -0.78 0.00 0.57 -5.05 105.19 101.04 1nxi n GLY 32 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nxi n SER 33 N 1.49 0.00 -3.10 1.61 3.41 -1.22 -4.98 113.62 110.83 1nxi n SER 33 Ca -0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1nxi n SER 33 Cb 0.50 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 1nxi n SER 33 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nxi n ASP 34 N 0.00 -0.47 0.00 4.04 8.00 -1.26 -4.95 116.55 121.91 1nxi n ASP 34 Ca 0.00 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.68 1nxi n ASP 34 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1nxi n ASP 34 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1nxi n PRO 35 N 1.46 0.00 0.11 -0.24 -0.02 -1.26 -0.72 135.00 134.33 1nxi n PRO 35 Ca 0.19 0.30 0.03 0.00 -2.02 0.00 0.00 63.50 62.00 1nxi n PRO 35 Cb 0.55 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1nxi n PRO 35 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1nxi h ASP 36 N 0.00 0.00 -0.33 2.55 1.82 -2.00 -3.26 116.42 115.21 1nxi h ASP 36 Ca 0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.49 1nxi h ASP 36 Cb 0.22 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.14 1nxi h ASP 36 CO 0.00 0.46 0.20 0.00 -1.61 0.00 0.00 179.24 178.28 1nxi n ALA 37 N -2.26 3.49 -1.25 -0.78 0.00 0.11 -5.00 120.51 114.82 1nxi n ALA 37 Ca -0.01 -0.96 0.14 0.00 0.00 0.00 0.00 53.44 52.61 1nxi n ALA 37 Cb 0.74 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 1nxi n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nxi n LEU 38 N -0.03 -0.78 -4.35 0.00 4.77 -1.23 -4.98 117.00 110.40 1nxi n LEU 38 Ca 0.19 1.82 -0.18 0.00 -0.03 0.00 0.00 56.01 57.82 1nxi n LEU 38 Cb 0.86 -3.06 -0.10 0.00 -2.33 0.00 0.00 43.42 38.79 1nxi n LEU 38 CO 0.20 -1.83 -0.29 -0.31 -1.33 0.00 0.00 177.39 173.82 1nxi s TYR 39 N -4.20 1.63 -0.12 -1.77 1.51 -0.43 -4.90 117.35 109.07 1nxi s TYR 39 Ca 0.00 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 1nxi s TYR 39 Cb 0.00 -0.98 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1nxi s TYR 39 CO 0.00 -0.14 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.13 1nxi s GLU 40 N -3.93 2.53 0.15 -0.62 2.12 -1.26 -0.96 118.70 116.73 1nxi s GLU 40 Ca 0.33 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 55.03 1nxi s GLU 40 Cb 0.07 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1nxi s GLU 40 CO 0.12 -0.06 0.15 0.42 -0.54 0.00 0.00 175.26 175.35 1nxi s ILE 41 N 0.96 4.65 -0.10 -3.70 1.09 -0.28 -4.44 121.20 119.39 1nxi s ILE 41 Ca -0.06 -0.96 -0.01 0.00 -1.10 0.00 0.00 60.65 58.52 1nxi s ILE 41 Cb -0.15 -3.36 0.03 0.00 -1.06 0.00 0.00 42.46 37.92 1nxi s ILE 41 CO -0.03 -0.07 -0.02 -0.70 -0.10 0.00 0.00 174.94 174.02 1nxi s GLU 42 N -3.02 0.92 0.11 2.79 2.12 -0.59 -1.69 118.70 119.35 1nxi s GLU 42 Ca 0.31 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.58 1nxi s GLU 42 Cb -0.11 -1.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 1nxi s GLU 42 CO 0.24 -0.33 0.20 -1.01 -0.54 0.00 0.00 175.26 173.81 1nxi s HIS 43 N 1.87 3.38 -0.09 5.30 3.76 0.56 -1.80 115.29 128.27 1nxi s HIS 43 Ca 0.04 0.13 0.03 0.00 -0.15 0.00 0.00 55.06 55.11 1nxi s HIS 43 Cb -0.13 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 31.91 1nxi s HIS 43 CO -0.06 0.54 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.59 1nxi s HIS 44 N -1.61 2.12 -0.03 1.40 2.46 0.11 -1.13 115.29 118.62 1nxi s HIS 44 Ca 0.33 -0.85 -0.02 0.00 0.47 0.00 0.00 55.06 54.99 1nxi s HIS 44 Cb -0.12 -1.46 0.01 0.00 -0.13 0.00 0.00 32.58 30.89 1nxi s HIS 44 CO 0.26 -0.36 0.07 -0.51 -2.47 0.00 0.00 174.74 171.72 1nxi s LEU 45 N 0.47 1.62 0.37 8.88 1.02 -1.06 -3.69 118.68 126.30 1nxi s LEU 45 Ca -0.17 0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.15 1nxi s LEU 45 Cb -0.17 0.20 -0.06 0.00 0.02 0.00 0.00 46.19 46.18 1nxi s LEU 45 CO 0.07 -0.04 0.05 0.72 0.02 0.00 0.00 176.35 177.17 1nxi s PHE 46 N 0.22 2.06 0.29 0.29 -0.71 -1.26 -1.79 117.98 117.08 1nxi s PHE 46 Ca -0.02 -0.93 -0.14 0.00 -1.04 0.00 0.00 56.93 54.80 1nxi s PHE 46 Cb -0.02 -1.41 0.01 0.00 -1.21 0.00 0.00 43.02 40.39 1nxi s PHE 46 CO -0.01 0.09 0.59 0.00 -1.34 0.00 0.00 175.22 174.55 1nxi s ALA 47 N -3.12 -0.42 -0.03 1.99 0.00 -0.94 -3.29 121.76 115.95 1nxi s ALA 47 Ca 0.32 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.54 1nxi s ALA 47 Cb 0.08 0.97 -0.11 0.00 0.00 0.00 0.00 23.12 24.05 1nxi s ALA 47 CO 0.15 -0.91 0.12 0.39 0.00 0.00 0.00 175.76 175.51 1nxi n GLU 48 N -0.45 1.14 -3.40 0.00 4.71 -1.26 -3.27 120.64 118.10 1nxi n GLU 48 Ca -0.03 -0.05 -0.45 0.00 -0.01 0.00 0.00 57.16 56.62 1nxi n GLU 48 Cb 0.61 -1.19 -0.04 0.00 -1.01 0.00 0.00 31.44 29.81 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1nxi s ASP 49 N -3.26 6.39 0.30 1.62 1.01 -1.26 -4.91 116.67 116.55 1nxi s ASP 49 Ca -0.03 -2.57 0.11 0.00 0.71 0.00 0.00 52.55 50.78 1nxi s ASP 49 Cb 0.04 -2.14 0.95 0.00 1.01 0.00 0.00 42.92 42.78 1nxi s ASP 49 CO 0.32 -0.58 1.35 2.22 0.21 0.00 0.00 175.17 178.69 1nxi n PHE 50 N 4.10 0.82 0.10 4.23 -1.74 -1.26 -0.38 117.46 123.33 1nxi n PHE 50 Ca 0.08 1.02 -0.06 0.00 -0.56 0.00 0.00 57.45 57.93 1nxi n PHE 50 Cb 0.44 -1.31 -0.03 0.00 1.52 0.00 0.00 39.48 40.10 1nxi n PHE 50 CO 0.00 0.00 0.00 0.22 -0.56 0.00 0.00 176.76 176.42 1nxi h ASP 51 N 0.00 -0.45 -0.89 5.98 1.82 -2.01 -0.84 116.42 120.03 1nxi h ASP 51 Ca 0.64 0.04 0.23 0.00 -0.39 0.00 0.00 57.03 57.55 1nxi h ASP 51 Cb 1.58 0.15 -0.05 0.00 0.68 0.00 0.00 39.33 41.69 1nxi h ASP 51 CO -0.72 -0.22 0.61 0.50 -1.61 0.00 0.00 179.24 177.80 1nxi h LYS 52 N -0.33 0.21 0.15 0.28 3.64 -1.13 -0.38 116.57 119.01 1nxi h LYS 52 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nxi h LYS 52 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1nxi h LYS 52 CO -0.02 0.14 -0.12 1.25 -2.27 0.00 0.00 179.45 178.43 1nxi h LEU 53 N 0.22 -0.32 -1.49 5.20 6.46 0.11 -1.82 115.31 123.67 1nxi h LEU 53 Ca 0.45 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 58.31 1nxi h LEU 53 Cb 1.42 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.41 1nxi h LEU 53 CO -0.11 -0.19 0.44 -0.33 -0.62 0.00 0.00 178.44 177.63 1nxi h GLU 54 N -0.29 0.59 0.14 1.25 5.08 0.28 -0.36 114.58 121.26 1nxi h GLU 54 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1nxi h GLU 54 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nxi h GLU 54 CO -0.01 0.39 -0.07 0.87 -1.00 0.00 0.00 179.01 179.19 1nxi h LYS 55 N 0.61 -0.18 -0.06 2.33 1.79 -1.00 0.95 116.57 121.00 1nxi h LYS 55 Ca 0.29 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.79 1nxi h LYS 55 Cb 0.36 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1nxi h LYS 55 CO -0.09 -0.12 0.19 0.00 -1.08 0.00 0.00 179.45 178.35 1nxi h ALA 56 N -1.89 1.38 0.02 3.86 0.00 -1.30 -2.10 119.26 119.21 1nxi h ALA 56 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nxi h ALA 56 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nxi h ALA 56 CO 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 1nxi h ALA 57 N 1.68 -0.02 -0.07 0.00 0.00 -0.83 -2.75 119.26 117.27 1nxi h ALA 57 Ca 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1nxi h ALA 57 Cb 0.41 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nxi h ALA 57 CO -0.00 -0.06 0.06 0.28 0.00 0.00 0.00 179.25 179.53 1nxi h VAL 58 N -0.92 0.69 0.06 0.00 2.07 -0.17 -1.25 116.25 116.73 1nxi h VAL 58 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1nxi h VAL 58 Cb 0.78 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1nxi h VAL 58 CO 0.00 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.48 1nxi h GLU 59 N 0.00 -0.08 -0.80 1.57 4.57 -1.47 -1.78 114.58 116.59 1nxi h GLU 59 Ca 0.03 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1nxi h GLU 59 Cb 0.15 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 1nxi h GLU 59 CO -0.00 0.52 0.49 0.00 -1.18 0.00 0.00 179.01 178.84 1nxi h ALA 60 N -0.04 1.09 -0.48 2.92 0.00 -1.14 0.80 119.26 122.41 1nxi h ALA 60 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1nxi h ALA 60 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1nxi h ALA 60 CO 0.01 0.23 -0.00 0.35 0.00 0.00 0.00 179.25 179.85 1nxi h PHE 61 N 0.91 0.84 0.00 0.00 3.57 -1.30 -1.70 116.94 119.26 1nxi h PHE 61 Ca 0.35 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1nxi h PHE 61 Cb 0.14 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1nxi h PHE 61 CO -0.04 0.78 0.00 -0.22 -2.23 0.00 0.00 178.31 176.60 1nxi h LYS 62 N 0.74 0.00 0.04 1.11 3.64 -0.28 -3.24 116.57 118.57 1nxi h LYS 62 Ca 0.14 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1nxi h LYS 62 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1nxi h LYS 62 CO 0.02 0.00 -0.02 1.98 -2.27 0.00 0.00 179.45 179.16 1nxi h MET 63 N 0.00 -0.05 0.00 1.90 4.05 0.02 -3.48 114.93 117.38 1nxi h MET 63 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1nxi h MET 63 Cb 0.64 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1nxi h MET 63 CO 0.00 0.61 0.00 0.41 0.23 0.00 0.00 176.91 178.16 1nxi n GLY 64 N 1.13 -0.04 3.92 1.39 0.00 -1.01 -5.11 105.19 105.47 1nxi n GLY 64 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1nxi n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nxi s PHE 65 N 0.00 2.99 -0.76 1.61 0.40 -0.98 -4.88 117.98 116.36 1nxi s PHE 65 Ca 0.00 0.59 0.02 0.00 -0.60 0.00 0.00 56.93 56.94 1nxi s PHE 65 Cb 0.00 -3.22 0.19 0.00 0.51 0.00 0.00 43.02 40.50 1nxi s PHE 65 CO 0.00 -1.43 0.58 -2.00 0.70 0.00 0.00 175.22 173.07 1nxi s GLU 66 N -5.32 2.75 0.34 0.44 2.56 0.17 -4.47 118.70 115.18 1nxi s GLU 66 Ca 0.60 -3.22 -0.28 0.00 0.00 0.00 0.00 54.97 52.07 1nxi s GLU 66 Cb -0.11 -3.64 -0.12 0.00 2.00 0.00 0.00 34.13 32.26 1nxi s GLU 66 CO 0.46 -1.26 1.30 1.55 -0.56 0.00 0.00 175.26 176.76 1nxi n VAL 67 N 2.28 1.99 -5.22 3.70 3.14 -1.26 -1.60 118.33 121.36 1nxi n VAL 67 Ca 0.19 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.76 1nxi n VAL 67 Cb 0.36 -1.59 -0.15 0.00 -1.06 0.00 0.00 33.84 31.39 1nxi n VAL 67 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1nxi s LEU 68 N -1.07 2.18 0.51 6.55 1.43 1.57 -4.90 118.68 124.96 1nxi s LEU 68 Ca 0.55 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 1nxi s LEU 68 Cb -0.56 -1.38 -0.14 0.00 0.03 0.00 0.00 46.19 44.14 1nxi s LEU 68 CO 0.62 0.32 0.05 -0.62 0.23 0.00 0.00 176.35 176.96 1nxi n GLU 69 N 2.40 0.13 -2.77 1.70 1.02 -1.26 -2.02 120.64 119.84 1nxi n GLU 69 Ca -0.16 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.82 1nxi n GLU 69 Cb 0.51 -1.17 0.07 0.00 -0.02 0.00 0.00 31.44 30.83 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nxi s ALA 70 N -1.91 4.12 -0.33 0.62 0.00 -1.26 -4.24 121.76 118.76 1nxi s ALA 70 Ca 0.60 -1.76 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1nxi s ALA 70 Cb -0.50 -1.82 0.11 0.00 0.00 0.00 0.00 23.12 20.91 1nxi s ALA 70 CO 0.63 -1.01 0.12 -1.83 0.00 0.00 0.00 175.76 173.67 1nxi s GLU 71 N -4.84 0.76 -0.45 0.00 1.03 -1.18 -4.88 118.70 109.14 1nxi s GLU 71 Ca 0.62 -1.20 -0.36 0.00 0.03 0.00 0.00 54.97 54.06 1nxi s GLU 71 Cb -0.07 -1.97 -0.16 0.00 -0.80 0.00 0.00 34.13 31.13 1nxi s GLU 71 CO 0.40 -1.02 1.84 0.39 -1.33 0.00 0.00 175.26 175.53 1nxi n GLU 72 N 4.64 0.00 0.00 -4.83 1.02 -1.26 -4.48 120.64 115.73 1nxi n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nxi n GLU 72 Cb 0.41 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1nxi n THR 73 N 5.53 0.00 -3.94 2.62 5.66 -1.08 -4.96 114.28 118.12 1nxi n THR 73 Ca 0.47 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.38 1nxi n THR 73 Cb -0.03 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.66 1nxi n THR 73 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nxi s GLU 74 N 1.94 0.62 0.00 1.09 -1.05 -1.26 -2.27 118.70 117.76 1nxi s GLU 74 Ca 0.00 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 1nxi s GLU 74 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1nxi s GLU 74 CO 0.00 -0.16 0.00 -3.47 0.95 0.00 0.00 175.26 172.58 1nxi n ASP 75 N 0.59 0.00 -1.22 0.83 2.03 -1.24 -4.91 116.55 112.63 1nxi n ASP 75 Ca -0.18 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.09 1nxi n ASP 75 Cb 0.59 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.04 1nxi n ASP 75 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1nxi n GLU 76 N 0.00 1.39 0.00 -0.67 4.07 -1.26 -3.42 120.64 120.74 1nxi n GLU 76 Ca 0.00 -0.71 0.00 0.00 -0.06 0.00 0.00 57.16 56.39 1nxi n GLU 76 Cb 0.00 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 1nxi n GLU 76 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1nxi n ASP 77 N 0.12 2.10 0.00 4.31 -0.08 -1.26 -5.02 116.55 116.72 1nxi n ASP 77 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1nxi n ASP 77 Cb 0.73 0.36 0.00 0.00 2.34 0.00 0.00 41.12 44.56 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nxi n GLY 78 N 1.18 0.94 3.68 0.27 0.00 -1.22 -5.06 105.19 104.97 1nxi n GLY 78 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1nxi n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nxi s ASN 79 N -2.06 6.67 0.12 1.61 3.84 -1.26 -4.91 114.94 118.95 1nxi s ASN 79 Ca 0.00 0.81 -0.30 0.00 0.21 0.00 0.00 52.86 53.57 1nxi s ASN 79 Cb 0.00 -2.32 -0.07 0.00 -0.55 0.00 0.00 41.25 38.31 1nxi s ASN 79 CO 0.00 -0.17 1.24 -1.59 -2.79 0.00 0.00 177.10 173.79 1nxi s LYS 80 N 1.45 4.43 0.00 0.43 -2.85 -1.26 -3.69 119.74 118.24 1nxi s LYS 80 Ca 0.27 1.88 0.00 0.00 -1.00 0.00 0.00 55.97 57.12 1nxi s LYS 80 Cb -0.16 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.33 1nxi s LYS 80 CO 0.11 -0.23 0.00 1.47 0.10 0.00 0.00 175.35 176.80 1nxi n LEU 81 N 3.34 0.00 -4.29 2.77 -0.00 -0.96 -5.01 117.00 112.85 1nxi n LEU 81 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.80 1nxi n LEU 81 Cb 0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.72 1nxi n LEU 81 CO 0.56 0.00 -0.55 -0.76 -0.00 0.00 0.00 177.39 176.64 1nxi s LEU 82 N 0.00 2.11 -0.25 1.47 1.02 -1.20 -2.62 118.68 119.21 1nxi s LEU 82 Ca 0.00 -0.50 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 1nxi s LEU 82 Cb 0.00 -1.20 0.08 0.00 0.02 0.00 0.00 46.19 45.09 1nxi s LEU 82 CO 0.00 0.26 0.06 0.00 0.02 0.00 0.00 176.35 176.69 1nxi s PHE 84 N 1.75 3.48 0.06 0.00 -0.71 -0.74 -3.12 117.98 118.70 1nxi s PHE 84 Ca 0.04 0.51 0.05 0.00 -1.04 0.00 0.00 56.93 56.49 1nxi s PHE 84 Cb -0.17 -2.00 -0.04 0.00 -1.21 0.00 0.00 43.02 39.60 1nxi s PHE 84 CO -0.17 0.21 -0.08 -0.51 -1.34 0.00 0.00 175.22 173.34 1nxi s ASP 85 N -3.35 4.55 -0.12 1.98 1.11 -0.85 -2.56 116.67 117.43 1nxi s ASP 85 Ca 0.42 -0.27 0.01 0.00 0.18 0.00 0.00 52.55 52.89 1nxi s ASP 85 Cb -0.11 -0.97 0.02 0.00 1.07 0.00 0.00 42.92 42.93 1nxi s ASP 85 CO 0.31 0.22 -0.12 0.00 1.18 0.00 0.00 175.17 176.76 1nxi s ALA 86 N -1.13 1.58 0.22 5.23 0.00 -0.28 0.45 121.76 127.82 1nxi s ALA 86 Ca 0.20 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1nxi s ALA 86 Cb -0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1nxi s ALA 86 CO 0.12 -0.26 0.20 0.95 0.00 0.00 0.00 175.76 176.76 1nxi s THR 87 N 1.34 4.58 -0.21 0.00 -4.23 -0.63 -0.32 115.64 116.17 1nxi s THR 87 Ca -0.00 -1.23 -0.26 0.00 -1.18 0.00 0.00 61.69 59.02 1nxi s THR 87 Cb -0.14 -3.43 0.07 0.00 1.34 0.00 0.00 72.50 70.34 1nxi s THR 87 CO -0.06 -0.26 0.69 -0.32 -0.54 0.00 0.00 174.62 174.13 1nxi s MET 88 N -3.61 0.87 -0.25 3.99 1.75 -0.68 0.45 119.30 121.82 1nxi s MET 88 Ca 0.32 0.80 -0.18 0.00 -1.25 0.00 0.00 55.69 55.38 1nxi s MET 88 Cb -0.09 0.42 -0.03 0.00 2.84 0.00 0.00 34.83 37.98 1nxi s MET 88 CO 0.25 -0.15 0.51 -0.65 -0.65 0.00 0.00 175.02 174.32 1nxi s GLN 89 N -0.01 4.10 0.04 4.11 -1.52 -1.26 -1.12 119.66 123.99 1nxi s GLN 89 Ca -0.03 0.33 -0.14 0.00 -1.95 0.00 0.00 55.36 53.57 1nxi s GLN 89 Cb -0.04 -3.63 0.02 0.00 -0.22 0.00 0.00 33.01 29.14 1nxi s GLN 89 CO 0.03 -0.30 0.30 0.45 -0.25 0.00 0.00 175.29 175.53 1nxi s SER 90 N 1.45 -0.13 0.59 5.90 0.15 -0.13 -4.96 113.70 116.56 1nxi s SER 90 Ca 0.21 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.53 1nxi s SER 90 Cb -0.16 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1nxi s SER 90 CO 0.09 -0.59 1.10 0.00 1.20 0.00 0.00 173.24 175.04 1nxi s ALA 91 N -2.39 2.64 -0.14 5.45 0.00 -1.26 -1.31 121.76 124.75 1nxi s ALA 91 Ca -0.06 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 1nxi s ALA 91 Cb -0.01 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1nxi s ALA 91 CO -0.02 -0.91 1.53 -1.17 0.00 0.00 0.00 175.76 175.18 1nxi s LEU 92 N -4.28 4.16 -0.29 0.00 2.96 -1.26 -4.83 118.68 115.13 1nxi s LEU 92 Ca 0.68 1.89 -0.21 0.00 -0.22 0.00 0.00 54.13 56.28 1nxi s LEU 92 Cb -0.20 -3.53 0.16 0.00 0.50 0.00 0.00 46.19 43.11 1nxi s LEU 92 CO 0.33 -0.97 1.13 -1.81 -1.32 0.00 0.00 176.35 173.71 1nxi s ASP 93 N 3.19 -0.33 0.00 3.68 1.01 -1.26 -5.05 116.67 117.92 1nxi s ASP 93 Ca 0.67 0.58 -0.04 0.00 0.71 0.00 0.00 52.55 54.47 1nxi s ASP 93 Cb -0.27 0.85 -0.02 0.00 1.01 0.00 0.00 42.92 44.49 1nxi s ASP 93 CO 0.25 -0.10 0.78 0.00 0.21 0.00 0.00 175.17 176.32 1nxi h ALA 94 N 4.74 -0.77 -0.88 5.23 0.00 -1.96 -2.45 119.26 123.17 1nxi h ALA 94 Ca -0.28 -0.03 0.36 0.00 0.00 0.00 0.00 54.91 54.97 1nxi h ALA 94 Cb 1.18 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 1nxi h ALA 94 CO 0.17 -0.76 0.49 1.63 0.00 0.00 0.00 179.25 180.78 1nxi n LYS 95 N -2.43 -0.05 0.46 0.00 5.02 -1.26 0.21 118.16 120.10 1nxi n LYS 95 Ca -0.02 1.17 -0.18 0.00 -2.02 0.00 0.00 58.31 57.27 1nxi n LYS 95 Cb 0.05 -2.12 -0.08 0.00 -0.02 0.00 0.00 35.03 32.85 1nxi n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nxi h LEU 96 N 0.00 -0.98 -2.04 -0.35 4.07 -1.91 -1.81 115.31 112.29 1nxi h LEU 96 Ca 0.73 0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.85 1nxi h LEU 96 Cb 1.97 0.25 -0.02 0.00 1.08 0.00 0.00 40.66 43.95 1nxi h LEU 96 CO -0.64 -0.69 0.34 0.40 -1.08 0.00 0.00 178.44 176.77 1nxi h ILE 97 N -1.19 0.64 0.36 1.22 2.04 0.25 -1.35 117.51 119.48 1nxi h ILE 97 Ca -0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1nxi h ILE 97 Cb 0.89 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1nxi h ILE 97 CO 0.19 0.00 -0.17 -0.78 0.00 0.00 0.00 178.15 177.39 1nxi h ASP 98 N 0.00 -0.41 -0.41 1.72 3.58 -0.41 0.10 116.42 120.59 1nxi h ASP 98 Ca 0.20 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1nxi h ASP 98 Cb 0.88 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 1nxi h ASP 98 CO -0.00 -0.12 0.24 -0.33 -2.88 0.00 0.00 179.24 176.14 1nxi h GLU 99 N -0.70 0.56 0.55 0.28 5.08 -0.51 -1.11 114.58 118.73 1nxi h GLU 99 Ca -0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1nxi h GLU 99 Cb 0.49 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1nxi h GLU 99 CO 0.08 0.44 -0.47 1.96 -1.00 0.00 0.00 179.01 180.02 1nxi h GLN 100 N 0.54 -0.97 -0.31 2.33 4.20 -1.22 -2.43 115.11 117.25 1nxi h GLN 100 Ca 0.15 0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1nxi h GLN 100 Cb 0.03 0.22 -0.08 0.00 0.30 0.00 0.00 27.48 27.95 1nxi h GLN 100 CO -0.03 -0.65 -0.26 0.28 -0.67 0.00 0.00 178.83 177.50 1nxi h VAL 101 N -1.01 0.34 -0.97 -0.54 2.07 -0.86 0.11 116.25 115.38 1nxi h VAL 101 Ca -0.07 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.77 1nxi h VAL 101 Cb 0.86 0.34 -0.17 0.00 -1.52 0.00 0.00 31.29 30.79 1nxi h VAL 101 CO -0.02 0.00 0.26 -0.08 0.02 0.00 0.00 177.57 177.75 1nxi h GLU 102 N -0.24 0.07 0.56 1.57 4.81 -0.90 0.23 114.58 120.68 1nxi h GLU 102 Ca 0.16 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1nxi h GLU 102 Cb 0.49 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1nxi h GLU 102 CO -0.45 0.04 -0.27 0.87 -0.73 0.00 0.00 179.01 178.48 1nxi h LYS 103 N 0.07 -0.73 0.00 1.92 1.57 -0.34 -0.94 116.57 118.12 1nxi h LYS 103 Ca 0.67 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 1nxi h LYS 103 Cb 1.54 0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.02 1nxi h LYS 103 CO -0.80 -0.43 0.44 -0.07 -0.57 0.00 0.00 179.45 178.02 1nxi h LEU 104 N -1.10 0.00 0.00 2.94 3.38 -0.06 0.11 115.31 120.58 1nxi h LEU 104 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1nxi h LEU 104 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1nxi h LEU 104 CO 0.13 0.00 -0.02 0.58 0.09 0.00 0.00 178.44 179.22 1nxi h VAL 105 N 0.00 0.00 -1.14 1.22 2.07 -0.13 -2.17 116.25 116.10 1nxi h VAL 105 Ca 0.00 -0.08 0.32 0.00 0.82 0.00 0.00 66.70 67.76 1nxi h VAL 105 Cb 0.88 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1nxi h VAL 105 CO 0.00 0.00 0.76 0.78 0.02 0.00 0.00 177.57 179.13 1nxi h ASN 106 N -0.08 0.28 0.08 0.57 -0.26 -0.71 0.17 115.58 115.63 1nxi h ASN 106 Ca 0.00 0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1nxi h ASN 106 Cb 0.02 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1nxi h ASN 106 CO 0.00 0.02 -0.04 0.25 -1.06 0.00 0.00 177.43 176.60 1nxi h LEU 107 N 0.23 -0.09 -0.00 1.61 6.46 -0.93 -0.99 115.31 121.59 1nxi h LEU 107 Ca 0.63 -0.45 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1nxi h LEU 107 Cb 1.93 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.84 1nxi h LEU 107 CO -0.23 0.44 -0.27 0.00 -0.62 0.00 0.00 178.44 177.75 1nxi h ALA 108 N 0.16 -0.37 -0.12 1.25 0.00 -0.08 0.11 119.26 120.21 1nxi h ALA 108 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nxi h ALA 108 Cb 0.54 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1nxi h ALA 108 CO 0.02 -0.78 0.09 0.93 0.00 0.00 0.00 179.25 179.51 1nxi h GLU 109 N -0.41 0.00 0.00 0.00 4.39 -1.04 0.11 114.58 117.62 1nxi h GLU 109 Ca 0.06 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1nxi h GLU 109 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1nxi h GLU 109 CO -0.24 0.00 -0.27 -0.22 -1.16 0.00 0.00 179.01 177.12 1nxi h LYS 110 N 0.00 0.00 0.00 2.33 3.64 0.60 -3.38 116.57 119.76 1nxi h LYS 110 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1nxi h LYS 110 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1nxi h LYS 110 CO -0.00 0.27 0.00 1.19 -2.27 0.00 0.00 179.45 178.64 1nxi n PHE 111 N -4.16 0.00 0.00 1.91 3.72 0.17 -5.06 117.46 114.04 1nxi n PHE 111 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1nxi n PHE 111 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1nxi n PHE 111 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nxi n ASP 112 N -1.75 0.00 -4.58 4.37 8.00 0.02 -5.10 116.55 117.52 1nxi n ASP 112 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1nxi n ASP 112 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1nxi s ILE 113 N 0.00 3.18 -0.47 0.53 -4.36 -1.18 -4.77 121.20 114.13 1nxi s ILE 113 Ca 0.00 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.44 1nxi s ILE 113 Cb 0.00 -2.61 0.05 0.00 1.25 0.00 0.00 42.46 41.15 1nxi s ILE 113 CO 0.00 -0.19 0.45 -0.51 0.24 0.00 0.00 174.94 174.93 1nxi s ILE 114 N -1.91 5.12 -0.48 8.37 1.10 -1.21 -4.45 121.20 127.74 1nxi s ILE 114 Ca 0.27 -0.75 -0.25 0.00 -0.51 0.00 0.00 60.65 59.40 1nxi s ILE 114 Cb -0.08 -4.13 0.03 0.00 0.15 0.00 0.00 42.46 38.43 1nxi s ILE 114 CO 0.16 -0.58 0.93 -0.47 -2.11 0.00 0.00 174.94 172.87 1nxi s TYR 115 N 1.99 2.89 -0.43 3.50 5.04 -1.26 -4.02 117.35 125.06 1nxi s TYR 115 Ca 0.08 0.31 0.03 0.00 -2.44 0.00 0.00 57.07 55.05 1nxi s TYR 115 Cb -0.21 -3.99 0.19 0.00 0.35 0.00 0.00 41.96 38.29 1nxi s TYR 115 CO 0.10 -1.15 0.79 0.34 -1.34 0.00 0.00 175.55 174.28 1nxi s ASP 116 N 2.38 -1.15 0.00 4.32 -1.08 -1.24 -5.06 116.67 114.83 1nxi s ASP 116 Ca 0.36 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1nxi s ASP 116 Cb -0.10 1.49 0.00 0.00 -1.46 0.00 0.00 42.92 42.85 1nxi s ASP 116 CO 0.25 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.46 1nxi n GLY 117 N 3.54 -1.73 3.39 2.66 0.00 -1.26 -4.92 105.19 106.87 1nxi n GLY 117 Ca 0.13 0.71 -0.31 0.00 0.00 0.00 0.00 46.02 46.55 1nxi n GLY 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nxi s TRP 118 N 0.00 2.44 0.13 1.61 1.48 -1.26 -0.71 118.94 122.63 1nxi s TRP 118 Ca 0.00 -0.33 -0.25 0.00 -1.06 0.00 0.00 56.10 54.46 1nxi s TRP 118 Cb 0.00 -1.45 0.08 0.00 -1.16 0.00 0.00 33.47 30.94 1nxi s TRP 118 CO 0.00 0.16 1.07 0.20 -4.06 0.00 0.00 176.95 174.32 1nxi s GLY 119 N -1.20 -0.10 0.23 3.67 0.00 -0.75 -5.01 107.32 104.17 1nxi s GLY 119 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 1nxi s GLY 119 CO 0.03 1.51 0.27 -1.08 0.00 0.00 0.00 173.10 173.83 1nxi s THR 120 N -2.56 0.00 0.02 0.90 -1.32 -1.26 -1.54 115.64 109.87 1nxi s THR 120 Ca 0.18 -1.79 0.02 0.00 -1.21 0.00 0.00 61.69 58.90 1nxi s THR 120 Cb -0.01 -2.42 -0.01 0.00 -1.51 0.00 0.00 72.50 68.55 1nxi s THR 120 CO 0.02 0.00 -0.08 -0.72 -2.21 0.00 0.00 174.62 171.64 1nxi s TYR 121 N -4.00 0.67 -0.29 9.09 1.13 -1.26 -5.06 117.35 117.63 1nxi s TYR 121 Ca 0.33 -0.27 -0.33 0.00 -1.41 0.00 0.00 57.07 55.40 1nxi s TYR 121 Cb 0.04 -0.41 -0.14 0.00 -1.10 0.00 0.00 41.96 40.34 1nxi s TYR 121 CO 0.13 -0.03 1.07 0.98 -2.51 0.00 0.00 175.55 175.19 1nxi n TYR 122 N 2.30 1.10 -1.71 -3.49 9.36 -1.26 -4.75 117.16 118.71 1nxi n TYR 122 Ca -0.17 0.81 -0.32 0.00 3.32 0.00 0.00 57.90 61.54 1nxi n TYR 122 Cb 0.56 -1.58 -0.02 0.00 -0.63 0.00 0.00 39.34 37.67 1nxi n TYR 122 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1nxi n GLU 123 N 2.51 2.87 -0.49 2.98 2.13 -1.26 -4.03 120.64 125.34 1nxi n GLU 123 Ca 0.21 -2.87 0.00 0.00 0.66 0.00 0.00 57.16 55.16 1nxi n GLU 123 Cb -0.02 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.45 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nxi n GLY 124 N 0.56 0.84 2.63 8.31 0.00 -1.26 -5.06 105.19 111.21 1nxi n GLY 124 Ca 0.51 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 1nxi n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nxi s LEU 125 N 0.00 0.96 0.00 0.99 1.43 -1.26 -4.93 118.68 115.88 1nxi s LEU 125 Ca 0.00 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1nxi s LEU 125 Cb 0.00 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.74 1nxi s LEU 125 CO 0.00 -0.40 0.00 -1.84 0.23 0.00 0.00 176.35 174.34 1nxi n GLU 126 N 5.14 0.00 -2.63 1.70 0.28 -1.26 -4.98 120.64 118.88 1nxi n GLU 126 Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.52 1nxi n GLU 126 Cb 0.44 -0.31 -0.01 0.00 1.43 0.00 0.00 31.44 32.99 1nxi n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1nxi s HIS 127 N -1.00 2.80 0.00 -1.84 2.46 -1.26 -4.96 115.29 111.49 1nxi s HIS 127 Ca 0.00 -1.44 0.00 0.00 0.47 0.00 0.00 55.06 54.09 1nxi s HIS 127 Cb 0.00 -4.67 0.00 0.00 -0.13 0.00 0.00 32.58 27.78 1nxi s HIS 127 CO 0.00 -1.79 0.00 -2.39 -2.47 0.00 0.00 174.74 168.09 1nxi n HIS 128 N 8.16 -1.63 0.00 3.88 1.44 -1.26 -5.11 115.22 120.69 1nxi n HIS 128 Ca 0.42 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.13 1nxi n HIS 128 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1nxi n HIS 128 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1nxi n HIS 129 N -0.81 0.00 -3.57 -1.40 -0.00 -1.26 -5.07 115.22 103.11 1nxi n HIS 129 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 1nxi n HIS 129 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 1nxi n HIS 129 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1nxi s HIS 130 N 3.82 3.48 0.15 1.57 2.46 -1.26 -5.04 115.29 120.48 1nxi s HIS 130 Ca 0.00 -2.10 -0.16 0.00 0.47 0.00 0.00 55.06 53.27 1nxi s HIS 130 Cb 0.00 -3.46 0.03 0.00 -0.13 0.00 0.00 32.58 29.02 1nxi s HIS 130 CO 0.00 -0.96 0.44 -1.01 -2.47 0.00 0.00 174.74 170.73 1nxi s HIS 131 N 0.91 -0.12 -2.00 3.88 3.76 -1.26 -5.38 115.29 115.09 1nxi s HIS 131 Ca 0.10 -0.21 0.15 0.00 -0.15 0.00 0.00 55.06 54.94 1nxi s HIS 131 Cb -0.23 0.28 0.90 0.00 1.11 0.00 0.00 32.58 34.64 1nxi s HIS 131 CO -0.03 -0.78 1.31 0.72 -0.85 0.00 0.00 174.74 175.11