#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi n SER 2 N 0.00 0.24 0.00 6.12 2.88 -1.26 -5.15 113.62 116.44 1nxi n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1nxi n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nxi n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1nxi n HIS 3 N 0.00 0.00 -3.81 0.66 8.25 -1.26 -5.06 115.22 114.00 1nxi n HIS 3 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1nxi n HIS 3 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1nxi n HIS 3 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1nxi s GLN 4 N 0.21 1.93 1.08 -0.41 -0.21 -1.26 -5.10 119.66 115.90 1nxi s GLN 4 Ca 0.00 -2.77 -0.17 0.00 0.02 0.00 0.00 55.36 52.44 1nxi s GLN 4 Cb 0.00 -2.93 0.24 0.00 1.00 0.00 0.00 33.01 31.32 1nxi s GLN 4 CO 0.00 -1.24 1.19 0.34 -2.12 0.00 0.00 175.29 173.47 1nxi s ASP 5 N -0.66 2.03 -0.36 5.90 2.15 -1.26 -4.96 116.67 119.51 1nxi s ASP 5 Ca 0.23 0.53 -0.25 0.00 0.43 0.00 0.00 52.55 53.49 1nxi s ASP 5 Cb -0.12 -0.74 0.01 0.00 -0.30 0.00 0.00 42.92 41.78 1nxi s ASP 5 CO -0.10 -3.43 0.88 -1.81 -0.17 0.00 0.00 175.17 170.54 1nxi s ASP 6 N -4.28 6.66 -0.47 -0.34 1.01 -1.26 -4.99 116.67 113.00 1nxi s ASP 6 Ca 0.71 0.56 0.03 0.00 0.71 0.00 0.00 52.55 54.56 1nxi s ASP 6 Cb -0.08 -2.44 0.13 0.00 1.01 0.00 0.00 42.92 41.54 1nxi s ASP 6 CO 0.55 -0.80 0.24 -0.47 0.21 0.00 0.00 175.17 174.89 1nxi s TYR 7 N 3.32 2.60 0.48 4.23 5.04 -1.26 -5.11 117.35 126.66 1nxi s TYR 7 Ca 0.36 -2.78 -0.07 0.00 -2.44 0.00 0.00 57.07 52.14 1nxi s TYR 7 Cb -0.13 -2.36 0.11 0.00 0.35 0.00 0.00 41.96 39.94 1nxi s TYR 7 CO 0.17 -0.77 0.26 1.28 -1.34 0.00 0.00 175.55 175.15 1nxi n LEU 8 N 3.41 0.00 -3.18 6.97 4.77 -1.26 -5.04 117.00 122.68 1nxi n LEU 8 Ca 0.06 -0.26 0.02 0.00 -0.03 0.00 0.00 56.01 55.80 1nxi n LEU 8 Cb 0.34 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1nxi n LEU 8 CO 0.28 -1.88 0.10 -0.44 -1.33 0.00 0.00 177.39 174.13 1nxi s SER 9 N -2.12 -1.21 0.60 -1.43 0.01 -1.26 -4.99 113.70 103.31 1nxi s SER 9 Ca 0.20 0.45 0.19 0.00 1.31 0.00 0.00 55.95 58.09 1nxi s SER 9 Cb -0.04 1.94 1.01 0.00 0.21 0.00 0.00 66.02 69.15 1nxi s SER 9 CO 0.17 -0.29 1.55 -0.37 0.41 0.00 0.00 173.24 174.71 1nxi h VAL 10 N 6.03 0.00 -0.34 3.43 -1.51 -1.98 0.19 116.25 122.07 1nxi h VAL 10 Ca -0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.32 1nxi h VAL 10 Cb 1.17 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 1nxi h VAL 10 CO 0.22 0.00 0.13 -0.33 -1.23 0.00 0.00 177.57 176.36 1nxi h GLU 11 N 0.00 0.52 0.22 5.19 4.39 -1.99 -0.16 114.58 122.75 1nxi h GLU 11 Ca 0.00 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1nxi h GLU 11 Cb 1.03 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1nxi h GLU 11 CO 0.00 0.52 -0.11 0.93 -1.16 0.00 0.00 179.01 179.20 1nxi h GLU 12 N 0.40 -0.28 -0.98 2.33 5.08 -1.04 -2.56 114.58 117.53 1nxi h GLU 12 Ca 0.11 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.79 1nxi h GLU 12 Cb 0.21 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.37 1nxi h GLU 12 CO -0.01 -0.09 0.52 -0.07 -1.00 0.00 0.00 179.01 178.36 1nxi h LEU 13 N -1.05 0.45 0.09 1.33 3.38 -1.58 -1.28 115.31 116.65 1nxi h LEU 13 Ca -0.03 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nxi h LEU 13 Cb 0.32 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1nxi h LEU 13 CO 0.05 -0.12 -0.04 0.40 0.09 0.00 0.00 178.44 178.82 1nxi h ILE 14 N 0.33 0.00 -0.78 1.22 2.04 -1.06 -0.26 117.51 119.00 1nxi h ILE 14 Ca 0.70 -0.02 0.29 0.00 1.00 0.00 0.00 64.86 66.83 1nxi h ILE 14 Cb 1.55 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.49 1nxi h ILE 14 CO -0.60 0.00 0.28 -0.62 0.00 0.00 0.00 178.15 177.21 1nxi n GLU 15 N -2.38 -0.05 0.26 2.37 -0.58 -0.77 -0.02 120.64 119.46 1nxi n GLU 15 Ca -0.01 1.11 -0.11 0.00 -0.42 0.00 0.00 57.16 57.73 1nxi n GLU 15 Cb 0.05 -1.92 -0.05 0.00 -0.57 0.00 0.00 31.44 28.95 1nxi n GLU 15 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1nxi h ILE 16 N 0.00 0.00 -1.12 -3.67 2.04 -1.10 -2.19 117.51 111.47 1nxi h ILE 16 Ca 0.60 -0.30 0.32 0.00 1.00 0.00 0.00 64.86 66.49 1nxi h ILE 16 Cb 1.50 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.46 1nxi h ILE 16 CO -0.65 0.00 0.70 1.56 0.00 0.00 0.00 178.15 179.77 1nxi h GLN 17 N -0.98 0.29 0.62 2.37 1.08 0.14 -0.21 115.11 118.41 1nxi h GLN 17 Ca -0.07 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1nxi h GLN 17 Cb 0.53 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1nxi h GLN 17 CO 0.12 0.19 -0.30 0.87 -0.95 0.00 0.00 178.83 178.76 1nxi h LYS 18 N 0.30 -0.80 -0.04 1.46 1.57 -0.52 0.14 116.57 118.67 1nxi h LYS 18 Ca 0.68 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.54 1nxi h LYS 18 Cb 1.83 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 34.27 1nxi h LYS 18 CO -0.39 -0.53 -0.50 1.49 -0.57 0.00 0.00 179.45 178.95 1nxi h GLU 19 N -0.86 -0.58 -0.22 3.15 4.81 -0.49 -0.90 114.58 119.49 1nxi h GLU 19 Ca -0.08 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1nxi h GLU 19 Cb 0.64 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1nxi h GLU 19 CO 0.14 -0.39 -0.29 1.49 -0.73 0.00 0.00 179.01 179.23 1nxi h GLU 20 N -0.60 -0.19 -0.42 1.92 4.81 -1.12 -0.79 114.58 118.20 1nxi h GLU 20 Ca 0.02 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1nxi h GLU 20 Cb 0.66 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1nxi h GLU 20 CO -0.35 -0.13 -0.25 2.41 -0.73 0.00 0.00 179.01 179.96 1nxi n THR 21 N -4.09 -0.28 -0.44 0.32 -1.04 0.47 0.26 114.28 109.48 1nxi n THR 21 Ca -0.02 1.77 0.36 0.00 -2.04 0.00 0.00 64.05 64.12 1nxi n THR 21 Cb 0.17 -2.26 0.65 0.00 -1.82 0.00 0.00 70.33 67.07 1nxi n THR 21 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1nxi h ARG 22 N 0.00 0.11 -0.20 -2.82 3.08 -0.42 0.78 114.38 114.92 1nxi h ARG 22 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1nxi h ARG 22 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1nxi h ARG 22 CO -0.39 0.08 0.13 0.22 -1.07 0.00 0.00 179.97 178.93 1nxi h ASP 23 N 0.12 0.22 0.66 7.04 1.82 0.49 -1.09 116.42 125.68 1nxi h ASP 23 Ca 0.78 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 57.39 1nxi h ASP 23 Cb 2.49 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 42.45 1nxi h ASP 23 CO -0.35 0.16 -0.32 0.40 -1.61 0.00 0.00 179.24 177.52 1nxi h ILE 24 N 0.27 0.04 -0.97 2.25 2.04 0.11 -2.63 117.51 118.62 1nxi h ILE 24 Ca 0.07 -0.35 0.18 0.00 1.00 0.00 0.00 64.86 65.77 1nxi h ILE 24 Cb -0.03 0.06 -0.18 0.00 -0.74 0.00 0.00 36.82 35.93 1nxi h ILE 24 CO -0.02 0.01 -0.28 0.40 0.00 0.00 0.00 178.15 178.26 1nxi h ILE 25 N -1.22 0.02 -0.30 -0.67 1.08 -1.27 0.64 117.51 115.79 1nxi h ILE 25 Ca -0.09 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1nxi h ILE 25 Cb 0.69 0.02 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 1nxi h ILE 25 CO 0.15 0.00 -0.12 1.56 -0.69 0.00 0.00 178.15 179.04 1nxi h GLN 26 N -0.00 -0.07 0.07 2.37 1.08 -1.15 -0.62 115.11 116.79 1nxi h GLN 26 Ca 0.43 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1nxi h GLN 26 Cb 0.68 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1nxi h GLN 26 CO -0.99 -0.05 -0.04 0.00 -0.95 0.00 0.00 178.83 176.81 1nxi h ALA 27 N 1.19 -1.00 -1.15 3.87 0.00 0.58 0.40 119.26 123.15 1nxi h ALA 27 Ca 0.15 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 55.45 1nxi h ALA 27 Cb 0.31 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 1nxi h ALA 27 CO -0.35 -0.99 0.73 1.28 0.00 0.00 0.00 179.25 179.91 1nxi n LEU 28 N -2.29 0.19 -0.04 0.00 4.32 -0.18 0.21 117.00 119.21 1nxi n LEU 28 Ca -0.01 1.20 -0.14 0.00 -0.02 0.00 0.00 56.01 57.04 1nxi n LEU 28 Cb 0.04 -0.59 -0.09 0.00 -1.62 0.00 0.00 43.42 41.16 1nxi n LEU 28 CO 0.03 -1.31 0.54 -0.07 -1.22 0.00 0.00 177.39 175.35 1nxi h LEU 29 N 0.00 0.32 -1.50 2.23 4.07 -0.50 -1.76 115.31 118.17 1nxi h LEU 29 Ca 0.75 -0.56 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 1nxi h LEU 29 Cb 2.38 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 44.02 1nxi h LEU 29 CO -0.42 0.82 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.66 1nxi h GLU 30 N -0.18 0.30 0.00 1.13 4.81 0.47 -1.52 114.58 119.59 1nxi h GLU 30 Ca 0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1nxi h GLU 30 Cb 0.77 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1nxi h GLU 30 CO 0.04 0.34 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.99 1nxi h ASP 31 N 0.29 0.00 0.00 1.04 3.32 -0.67 -3.46 116.42 116.94 1nxi h ASP 31 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1nxi h ASP 31 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nxi h ASP 31 CO 0.01 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 1nxi n GLY 32 N -0.85 1.59 0.31 2.75 0.00 -0.57 -5.10 105.19 103.31 1nxi n GLY 32 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1nxi n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nxi n SER 33 N 0.00 -1.80 -3.38 1.61 7.64 -0.68 -5.00 113.62 112.01 1nxi n SER 33 Ca 0.00 -0.07 -0.23 0.00 1.01 0.00 0.00 58.87 59.58 1nxi n SER 33 Cb 0.00 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 1nxi n SER 33 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1nxi s ASP 34 N -1.88 1.77 0.43 6.43 1.47 -1.26 -4.99 116.67 118.64 1nxi s ASP 34 Ca 0.05 -2.12 0.19 0.00 1.18 0.00 0.00 52.55 51.85 1nxi s ASP 34 Cb -0.01 0.07 1.12 0.00 -0.34 0.00 0.00 42.92 43.76 1nxi s ASP 34 CO 0.04 -0.25 1.85 -0.65 0.68 0.00 0.00 175.17 176.84 1nxi h PRO 35 N 6.65 0.36 -0.09 2.11 0.11 -1.94 0.15 132.00 139.35 1nxi h PRO 35 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1nxi h PRO 35 Cb 1.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1nxi h PRO 35 CO 0.25 0.24 0.00 -3.47 -0.21 0.00 0.00 178.00 174.80 1nxi n ASP 36 N -4.50 0.09 -0.83 -2.05 2.03 -1.26 -2.35 116.55 107.68 1nxi n ASP 36 Ca 0.20 -1.17 0.07 0.00 0.52 0.00 0.00 54.79 54.41 1nxi n ASP 36 Cb 0.74 -0.05 0.21 0.00 -0.72 0.00 0.00 41.12 41.31 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nxi n ALA 37 N -0.39 2.54 -1.31 -1.67 0.00 0.52 -5.08 120.51 115.12 1nxi n ALA 37 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.86 1nxi n ALA 37 Cb 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1nxi n ALA 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nxi n LEU 38 N 0.24 -1.81 -4.16 0.00 7.94 -0.99 -5.01 117.00 113.21 1nxi n LEU 38 Ca 0.16 2.48 -0.17 0.00 -1.11 0.00 0.00 56.01 57.37 1nxi n LEU 38 Cb 0.63 -2.35 -0.12 0.00 0.53 0.00 0.00 43.42 42.12 1nxi n LEU 38 CO 0.12 0.02 -0.45 -0.31 -1.11 0.00 0.00 177.39 175.66 1nxi s TYR 39 N -3.88 1.14 -0.25 1.96 2.02 -0.52 -4.90 117.35 112.93 1nxi s TYR 39 Ca 0.00 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.14 1nxi s TYR 39 Cb 0.00 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 1nxi s TYR 39 CO 0.00 0.04 0.09 -1.21 -1.57 0.00 0.00 175.55 172.90 1nxi s GLU 40 N -1.82 3.71 -0.03 -0.62 8.01 -1.26 -1.07 118.70 125.63 1nxi s GLU 40 Ca -0.02 -0.45 -0.15 0.00 0.01 0.00 0.00 54.97 54.36 1nxi s GLU 40 Cb -0.09 -3.38 -0.05 0.00 -4.31 0.00 0.00 34.13 26.29 1nxi s GLU 40 CO 0.02 -0.18 0.41 0.42 0.01 0.00 0.00 175.26 175.94 1nxi s ILE 41 N 1.62 5.06 -0.08 -1.63 -1.09 -0.73 -4.19 121.20 120.16 1nxi s ILE 41 Ca 0.06 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.35 1nxi s ILE 41 Cb -0.15 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1nxi s ILE 41 CO 0.05 0.53 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.47 1nxi s GLU 42 N -0.74 2.82 -0.08 2.79 2.56 -0.55 -2.04 118.70 123.45 1nxi s GLU 42 Ca 0.24 -0.66 0.01 0.00 0.00 0.00 0.00 54.97 54.56 1nxi s GLU 42 Cb -0.16 -2.50 0.02 0.00 2.00 0.00 0.00 34.13 33.49 1nxi s GLU 42 CO 0.12 0.51 -0.10 -1.01 -0.56 0.00 0.00 175.26 174.23 1nxi s HIS 43 N -0.42 1.40 -0.32 5.30 3.76 -0.17 -1.95 115.29 122.88 1nxi s HIS 43 Ca 0.05 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.30 1nxi s HIS 43 Cb -0.12 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.49 1nxi s HIS 43 CO 0.02 -0.35 0.14 -1.01 -0.85 0.00 0.00 174.74 172.68 1nxi s HIS 44 N 1.06 3.19 0.10 1.40 0.09 0.42 -0.84 115.29 120.71 1nxi s HIS 44 Ca -0.07 -0.85 0.10 0.00 -0.00 0.00 0.00 55.06 54.23 1nxi s HIS 44 Cb -0.14 -2.33 -0.04 0.00 -0.00 0.00 0.00 32.58 30.06 1nxi s HIS 44 CO -0.01 -0.56 -0.24 -0.51 -0.00 0.00 0.00 174.74 173.42 1nxi s LEU 45 N 1.55 2.38 0.12 0.89 1.02 -1.02 -4.17 118.68 119.45 1nxi s LEU 45 Ca 0.03 -0.64 0.03 0.00 0.02 0.00 0.00 54.13 53.57 1nxi s LEU 45 Cb -0.18 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 1nxi s LEU 45 CO 0.05 0.21 -0.09 -0.36 0.02 0.00 0.00 176.35 176.18 1nxi s PHE 46 N -1.00 1.10 0.07 0.29 0.08 -1.25 -1.51 117.98 115.75 1nxi s PHE 46 Ca 0.14 -0.82 -0.04 0.00 0.12 0.00 0.00 56.93 56.34 1nxi s PHE 46 Cb -0.10 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1nxi s PHE 46 CO 0.06 -0.02 0.05 0.00 -0.10 0.00 0.00 175.22 175.21 1nxi s ALA 47 N -3.41 0.27 -0.77 5.36 0.00 -0.98 -3.28 121.76 118.96 1nxi s ALA 47 Ca 0.14 -1.02 0.22 0.00 0.00 0.00 0.00 51.96 51.30 1nxi s ALA 47 Cb 0.03 0.39 -0.12 0.00 0.00 0.00 0.00 23.12 23.42 1nxi s ALA 47 CO -0.02 -0.43 0.91 -1.91 0.00 0.00 0.00 175.76 174.32 1nxi n GLU 48 N 0.03 0.16 -4.50 0.00 4.07 -1.26 -3.36 120.64 115.78 1nxi n GLU 48 Ca -0.14 -0.03 -0.33 0.00 -0.06 0.00 0.00 57.16 56.60 1nxi n GLU 48 Cb 0.62 -1.52 -0.16 0.00 -0.06 0.00 0.00 31.44 30.32 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1nxi s ASP 49 N -3.42 3.43 0.54 4.31 1.11 -1.26 -4.98 116.67 116.39 1nxi s ASP 49 Ca 0.05 -0.54 0.19 0.00 0.18 0.00 0.00 52.55 52.43 1nxi s ASP 49 Cb 0.16 -1.52 1.39 0.00 1.07 0.00 0.00 42.92 44.02 1nxi s ASP 49 CO 0.85 0.07 2.17 -0.26 1.18 0.00 0.00 175.17 179.17 1nxi h PHE 50 N 7.42 0.00 -0.06 4.23 0.04 -2.00 -0.89 116.94 125.69 1nxi h PHE 50 Ca -0.34 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.33 1nxi h PHE 50 Cb 1.18 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.34 1nxi h PHE 50 CO 0.49 0.00 -0.35 0.38 -0.60 0.00 0.00 178.31 178.23 1nxi h ASP 51 N 0.00 0.41 0.49 2.17 2.03 -2.00 -2.71 116.42 116.80 1nxi h ASP 51 Ca 0.00 -0.67 0.00 0.00 -0.73 0.00 0.00 57.03 55.63 1nxi h ASP 51 Cb 0.01 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.39 1nxi h ASP 51 CO -0.00 1.02 0.00 0.50 -1.03 0.00 0.00 179.24 179.73 1nxi h LYS 52 N -0.17 0.00 0.09 4.15 1.63 -1.79 -1.91 116.57 118.57 1nxi h LYS 52 Ca -0.03 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1nxi h LYS 52 Cb 1.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1nxi h LYS 52 CO 0.07 0.00 -0.04 1.25 -3.45 0.00 0.00 179.45 177.28 1nxi h LEU 53 N 0.00 -0.10 -1.22 5.20 6.46 -1.01 -2.38 115.31 122.27 1nxi h LEU 53 Ca 0.00 -0.49 -0.02 0.00 -0.12 0.00 0.00 57.88 57.25 1nxi h LEU 53 Cb 0.25 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 1nxi h LEU 53 CO 0.00 0.55 0.26 -0.33 -0.62 0.00 0.00 178.44 178.30 1nxi h GLU 54 N -0.87 0.81 0.45 1.25 5.08 -1.24 0.11 114.58 120.17 1nxi h GLU 54 Ca -0.01 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1nxi h GLU 54 Cb 0.58 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nxi h GLU 54 CO 0.02 0.63 -0.22 0.87 -1.00 0.00 0.00 179.01 179.32 1nxi h LYS 55 N 0.80 -0.59 -0.15 2.33 1.57 -1.41 0.83 116.57 119.95 1nxi h LYS 55 Ca 0.20 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1nxi h LYS 55 Cb 0.10 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1nxi h LYS 55 CO -0.02 -0.39 -0.06 0.00 -0.57 0.00 0.00 179.45 178.40 1nxi h ALA 56 N -1.61 0.07 -0.60 3.86 0.00 -1.39 -2.06 119.26 117.53 1nxi h ALA 56 Ca -0.06 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1nxi h ALA 56 Cb 0.47 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1nxi h ALA 56 CO 0.10 -0.50 0.20 0.00 0.00 0.00 0.00 179.25 179.05 1nxi h ALA 57 N 1.10 0.76 0.21 0.00 0.00 -0.82 -1.93 119.26 118.57 1nxi h ALA 57 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nxi h ALA 57 Cb 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1nxi h ALA 57 CO -0.17 -0.22 -0.40 0.28 0.00 0.00 0.00 179.25 178.74 1nxi h VAL 58 N 0.37 0.00 -0.50 0.00 2.07 -0.14 0.15 116.25 118.20 1nxi h VAL 58 Ca 0.30 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.97 1nxi h VAL 58 Cb 0.39 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1nxi h VAL 58 CO -0.32 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 177.80 1nxi h GLU 59 N -0.65 0.00 -0.02 1.57 4.81 -1.07 0.72 114.58 119.94 1nxi h GLU 59 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1nxi h GLU 59 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1nxi h GLU 59 CO -0.15 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.08 1nxi h ALA 60 N 1.25 0.03 -0.20 2.92 0.00 0.04 -2.30 119.26 121.00 1nxi h ALA 60 Ca 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1nxi h ALA 60 Cb 1.46 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1nxi h ALA 60 CO -0.00 -0.14 -0.07 0.35 0.00 0.00 0.00 179.25 179.39 1nxi h PHE 61 N -0.49 0.32 -0.14 0.00 3.04 0.09 -1.45 116.94 118.31 1nxi h PHE 61 Ca 0.00 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.80 1nxi h PHE 61 Cb 0.63 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1nxi h PHE 61 CO 0.13 0.38 -0.43 -0.22 -2.02 0.00 0.00 178.31 176.15 1nxi h LYS 62 N 0.29 0.34 -0.07 1.11 3.64 -1.29 -3.17 116.57 117.42 1nxi h LYS 62 Ca 0.06 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1nxi h LYS 62 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1nxi h LYS 62 CO 0.01 0.71 -0.18 0.52 -2.27 0.00 0.00 179.45 178.24 1nxi h MET 63 N 0.28 0.25 0.00 1.90 2.86 -0.79 -3.47 114.93 115.96 1nxi h MET 63 Ca 0.02 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1nxi h MET 63 Cb 0.88 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1nxi h MET 63 CO 0.07 0.79 0.00 0.41 1.06 0.00 0.00 176.91 179.24 1nxi n GLY 64 N 0.53 -0.32 3.51 8.32 0.00 -0.83 -5.12 105.19 111.29 1nxi n GLY 64 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 3.19 -0.94 1.61 0.40 -0.61 -4.70 117.98 116.93 1nxi s PHE 65 Ca 0.00 -0.23 -0.26 0.00 -0.60 0.00 0.00 56.93 55.85 1nxi s PHE 65 Cb 0.00 -2.78 -0.19 0.00 0.51 0.00 0.00 43.02 40.55 1nxi s PHE 65 CO 0.00 -0.58 2.24 0.39 0.70 0.00 0.00 175.22 177.97 1nxi n GLU 66 N 5.49 0.30 -1.92 0.44 -0.58 0.18 -3.74 120.64 120.81 1nxi n GLU 66 Ca -0.08 -1.28 -0.41 0.00 -0.42 0.00 0.00 57.16 54.97 1nxi n GLU 66 Cb 0.48 -3.77 -0.01 0.00 -0.57 0.00 0.00 31.44 27.57 1nxi n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1nxi s VAL 67 N 15.90 2.35 -0.05 2.62 0.11 -1.26 -1.77 120.40 138.31 1nxi s VAL 67 Ca 0.86 0.32 0.04 0.00 -2.93 0.00 0.00 61.98 60.28 1nxi s VAL 67 Cb -0.10 -3.21 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 1nxi s VAL 67 CO 0.14 0.06 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.60 1nxi s LEU 68 N -1.21 2.66 0.59 2.54 2.96 1.32 -4.92 118.68 122.62 1nxi s LEU 68 Ca 0.56 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 1nxi s LEU 68 Cb -0.44 -1.53 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 1nxi s LEU 68 CO 0.52 0.34 0.39 1.21 -1.32 0.00 0.00 176.35 177.50 1nxi n GLU 69 N 2.33 0.38 -3.80 1.98 4.07 -1.26 -2.03 120.64 122.32 1nxi n GLU 69 Ca -0.17 0.15 -0.21 0.00 -0.06 0.00 0.00 57.16 56.88 1nxi n GLU 69 Cb 0.52 -1.60 -0.02 0.00 -0.06 0.00 0.00 31.44 30.28 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nxi s ALA 70 N -1.80 3.94 -0.02 4.31 0.00 -1.26 -4.21 121.76 122.72 1nxi s ALA 70 Ca 0.66 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 51.23 1nxi s ALA 70 Cb -0.43 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1nxi s ALA 70 CO 0.57 0.10 -0.19 -2.00 0.00 0.00 0.00 175.76 174.24 1nxi s GLU 71 N -4.02 1.60 0.05 0.00 2.56 -1.23 -4.83 118.70 112.84 1nxi s GLU 71 Ca 0.39 -0.69 -0.30 0.00 0.00 0.00 0.00 54.97 54.37 1nxi s GLU 71 Cb -0.08 -1.53 -0.09 0.00 2.00 0.00 0.00 34.13 34.43 1nxi s GLU 71 CO 0.28 0.40 1.89 -1.83 -0.56 0.00 0.00 175.26 175.44 1nxi s GLU 72 N -0.41 4.15 0.00 4.30 1.03 -1.26 -3.90 118.70 122.61 1nxi s GLU 72 Ca 0.06 2.56 0.00 0.00 0.03 0.00 0.00 54.97 57.62 1nxi s GLU 72 Cb -0.08 -3.96 0.00 0.00 -0.80 0.00 0.00 34.13 29.29 1nxi s GLU 72 CO -0.00 -0.90 0.00 -2.37 -1.33 0.00 0.00 175.26 170.65 1nxi n THR 73 N 5.28 0.00 -3.84 1.83 5.66 -1.11 -5.01 114.28 117.08 1nxi n THR 73 Ca 0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.06 1nxi n THR 73 Cb 0.40 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.04 1nxi n THR 73 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1nxi s GLU 74 N -0.68 0.03 0.35 1.09 2.12 -1.26 -3.79 118.70 116.56 1nxi s GLU 74 Ca 0.00 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 1nxi s GLU 74 Cb 0.00 -0.03 0.07 0.00 0.26 0.00 0.00 34.13 34.44 1nxi s GLU 74 CO 0.00 -0.03 0.49 -0.40 -0.54 0.00 0.00 175.26 174.77 1nxi n ASP 75 N 3.25 0.60 -1.00 -1.70 5.75 -1.26 -4.90 116.55 117.29 1nxi n ASP 75 Ca -0.15 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1nxi n ASP 75 Cb 0.58 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nxi n GLU 76 N -1.91 0.75 0.00 0.11 1.02 -1.26 -3.51 120.64 115.84 1nxi n GLU 76 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1nxi n GLU 76 Cb 0.28 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1nxi n GLU 76 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1nxi n ASP 77 N 0.63 0.00 0.00 1.62 -0.08 -1.26 -5.08 116.55 112.37 1nxi n ASP 77 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1nxi n ASP 77 Cb 0.38 0.17 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 0.39 0.69 0.76 0.27 0.00 -1.23 -5.04 105.19 101.03 1nxi n GLY 78 Ca 0.00 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1nxi n GLY 78 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nxi n ASN 79 N 0.00 2.58 -3.01 1.61 4.05 -1.26 -4.97 115.26 114.26 1nxi n ASN 79 Ca 0.00 -1.79 -0.01 0.00 0.45 0.00 0.00 54.58 53.23 1nxi n ASN 79 Cb 0.00 0.12 -0.01 0.00 1.23 0.00 0.00 39.78 41.12 1nxi n ASN 79 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1nxi n LYS 80 N 0.90 -1.67 -4.36 1.20 4.81 -1.26 -5.00 118.16 112.77 1nxi n LYS 80 Ca 0.12 1.58 -0.18 0.00 -0.87 0.00 0.00 58.31 58.95 1nxi n LYS 80 Cb 0.51 -2.06 -0.10 0.00 0.02 0.00 0.00 35.03 33.40 1nxi n LYS 80 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1nxi s LEU 81 N -0.66 2.28 -0.08 3.14 0.05 -1.25 -4.99 118.68 117.17 1nxi s LEU 81 Ca -0.04 -1.21 -0.01 0.00 0.05 0.00 0.00 54.13 52.91 1nxi s LEU 81 Cb 0.00 -0.38 -0.03 0.00 -2.05 0.00 0.00 46.19 43.73 1nxi s LEU 81 CO 0.21 -0.47 -0.01 -0.76 -0.55 0.00 0.00 176.35 174.78 1nxi s LEU 82 N -3.35 3.51 -0.26 1.48 1.02 -1.21 -2.74 118.68 117.13 1nxi s LEU 82 Ca 0.29 0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.56 1nxi s LEU 82 Cb 0.05 -1.79 0.07 0.00 0.02 0.00 0.00 46.19 44.54 1nxi s LEU 82 CO 0.10 0.37 -0.03 0.00 0.02 0.00 0.00 176.35 176.81 1nxi s PHE 84 N 1.35 3.46 0.08 0.00 -0.71 -0.57 -3.52 117.98 118.06 1nxi s PHE 84 Ca -0.02 0.67 0.02 0.00 -1.04 0.00 0.00 56.93 56.56 1nxi s PHE 84 Cb -0.19 -2.10 -0.04 0.00 -1.21 0.00 0.00 43.02 39.48 1nxi s PHE 84 CO -0.08 0.32 0.13 -0.51 -1.34 0.00 0.00 175.22 173.73 1nxi s ASP 85 N -2.62 5.78 -0.01 1.98 1.11 -0.86 -2.44 116.67 119.62 1nxi s ASP 85 Ca 0.44 0.06 0.04 0.00 0.18 0.00 0.00 52.55 53.27 1nxi s ASP 85 Cb -0.11 -1.63 -0.01 0.00 1.07 0.00 0.00 42.92 42.24 1nxi s ASP 85 CO 0.25 0.16 -0.13 0.00 1.18 0.00 0.00 175.17 176.63 1nxi s ALA 86 N -1.46 1.06 0.03 5.23 0.00 -0.02 0.40 121.76 127.00 1nxi s ALA 86 Ca 0.31 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1nxi s ALA 86 Cb -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1nxi s ALA 86 CO 0.24 0.26 -0.20 0.95 0.00 0.00 0.00 175.76 177.01 1nxi s THR 87 N -0.31 1.62 -0.19 0.00 -4.23 -0.73 -0.99 115.64 110.80 1nxi s THR 87 Ca 0.05 -1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1nxi s THR 87 Cb -0.05 -1.39 0.09 0.00 1.34 0.00 0.00 72.50 72.49 1nxi s THR 87 CO -0.00 0.25 0.33 -0.32 -0.54 0.00 0.00 174.62 174.34 1nxi s MET 88 N -1.00 0.25 0.13 3.99 1.75 -0.87 0.50 119.30 124.04 1nxi s MET 88 Ca 0.07 0.68 -0.30 0.00 -1.25 0.00 0.00 55.69 54.89 1nxi s MET 88 Cb -0.08 -0.24 -0.07 0.00 2.84 0.00 0.00 34.83 37.28 1nxi s MET 88 CO 0.01 -0.43 1.10 -0.65 -0.65 0.00 0.00 175.02 174.40 1nxi s GLN 89 N 2.49 4.56 0.01 4.11 1.11 -1.26 -1.78 119.66 128.90 1nxi s GLN 89 Ca 0.05 1.67 -0.28 0.00 0.01 0.00 0.00 55.36 56.80 1nxi s GLN 89 Cb -0.14 -3.32 0.10 0.00 -1.01 0.00 0.00 33.01 28.64 1nxi s GLN 89 CO -0.12 -0.00 0.92 -1.54 0.01 0.00 0.00 175.29 174.56 1nxi s SER 90 N 0.28 -0.32 0.20 5.90 1.04 -0.23 -4.97 113.70 115.60 1nxi s SER 90 Ca 0.52 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 1nxi s SER 90 Cb -0.28 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.14 1nxi s SER 90 CO 0.32 -0.64 1.38 0.00 0.98 0.00 0.00 173.24 175.28 1nxi s ALA 91 N -3.10 3.58 -1.01 5.32 0.00 -1.26 -1.44 121.76 123.85 1nxi s ALA 91 Ca 0.06 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 1nxi s ALA 91 Cb -0.01 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 1nxi s ALA 91 CO -0.07 -0.63 2.05 -1.17 0.00 0.00 0.00 175.76 175.94 1nxi s LEU 92 N 0.04 2.93 -0.06 0.00 2.96 -1.26 -4.81 118.68 118.48 1nxi s LEU 92 Ca 0.59 -0.94 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1nxi s LEU 92 Cb -0.39 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 43.75 1nxi s LEU 92 CO 0.38 -3.42 -0.05 -1.81 -1.32 0.00 0.00 176.35 170.13 1nxi s ASP 93 N 8.09 1.35 0.13 3.68 1.01 -1.26 -4.94 116.67 124.73 1nxi s ASP 93 Ca 0.75 -0.16 -0.33 0.00 0.71 0.00 0.00 52.55 53.52 1nxi s ASP 93 Cb -0.05 -0.55 -0.10 0.00 1.01 0.00 0.00 42.92 43.22 1nxi s ASP 93 CO 0.09 -0.08 1.55 0.00 0.21 0.00 0.00 175.17 176.94 1nxi h ALA 94 N 7.52 -0.77 -0.81 5.23 0.00 -1.97 0.15 119.26 128.61 1nxi h ALA 94 Ca -0.32 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.77 1nxi h ALA 94 Cb 1.15 1.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.91 1nxi h ALA 94 CO 0.42 -1.05 -0.08 0.87 0.00 0.00 0.00 179.25 179.41 1nxi h LYS 95 N -0.40 0.04 0.47 0.00 1.79 -1.98 0.22 116.57 116.71 1nxi h LYS 95 Ca 0.07 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1nxi h LYS 95 Cb 0.60 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1nxi h LYS 95 CO -0.59 0.03 -0.29 -0.07 -1.08 0.00 0.00 179.45 177.44 1nxi h LEU 96 N 0.05 -0.74 -2.40 2.94 4.07 -1.13 -1.16 115.31 116.93 1nxi h LEU 96 Ca 0.42 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.46 1nxi h LEU 96 Cb 0.73 0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.69 1nxi h LEU 96 CO -0.77 -0.46 0.16 0.40 -1.08 0.00 0.00 178.44 176.69 1nxi h ILE 97 N -0.73 0.26 0.30 1.22 2.04 0.91 -0.44 117.51 121.07 1nxi h ILE 97 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1nxi h ILE 97 Cb 0.60 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1nxi h ILE 97 CO 0.05 0.00 -0.14 0.44 0.00 0.00 0.00 178.15 178.50 1nxi h ASP 98 N 0.00 -0.34 -0.14 1.72 3.32 0.60 -1.15 116.42 120.42 1nxi h ASP 98 Ca 0.04 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1nxi h ASP 98 Cb 0.37 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1nxi h ASP 98 CO -0.00 0.06 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.00 1nxi h GLU 99 N -0.80 0.60 0.10 3.56 5.08 -1.04 -1.40 114.58 120.67 1nxi h GLU 99 Ca -0.04 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1nxi h GLU 99 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1nxi h GLU 99 CO 0.07 0.80 -0.05 1.96 -1.00 0.00 0.00 179.01 180.79 1nxi h GLN 100 N 0.53 -0.12 -0.41 2.33 4.20 -1.09 -1.16 115.11 119.39 1nxi h GLN 100 Ca 0.07 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1nxi h GLN 100 Cb 0.71 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1nxi h GLN 100 CO 0.05 -0.07 0.12 0.28 -0.67 0.00 0.00 178.83 178.54 1nxi h VAL 101 N -0.14 1.22 -0.33 -0.54 2.07 -1.11 -2.06 116.25 115.37 1nxi h VAL 101 Ca -0.01 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 66.86 1nxi h VAL 101 Cb 0.11 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1nxi h VAL 101 CO 0.02 0.26 0.25 -0.08 0.02 0.00 0.00 177.57 178.04 1nxi h GLU 102 N 0.53 0.00 -0.07 1.57 4.81 -1.02 0.15 114.58 120.55 1nxi h GLU 102 Ca 0.13 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1nxi h GLU 102 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1nxi h GLU 102 CO -0.00 0.00 -0.22 0.87 -0.73 0.00 0.00 179.01 178.93 1nxi h LYS 103 N 0.00 0.27 -0.44 1.92 1.57 -0.51 -1.13 116.57 118.25 1nxi h LYS 103 Ca 0.16 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1nxi h LYS 103 Cb 0.65 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1nxi h LYS 103 CO -0.00 0.82 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.42 1nxi h LEU 104 N -0.24 0.92 -0.81 2.94 3.38 -0.94 -1.94 115.31 118.61 1nxi h LEU 104 Ca -0.01 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 1nxi h LEU 104 Cb 0.85 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1nxi h LEU 104 CO 0.05 1.10 -0.15 0.58 0.09 0.00 0.00 178.44 180.11 1nxi h VAL 105 N 0.78 1.26 0.67 1.22 2.07 -0.77 0.12 116.25 121.60 1nxi h VAL 105 Ca 0.10 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1nxi h VAL 105 Cb 0.76 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1nxi h VAL 105 CO 0.06 0.41 -0.32 0.78 0.02 0.00 0.00 177.57 178.52 1nxi h ASN 106 N 0.66 -0.76 -0.68 0.57 -0.26 -0.96 0.87 115.58 115.02 1nxi h ASN 106 Ca 0.11 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.90 1nxi h ASN 106 Cb 0.62 0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 38.04 1nxi h ASN 106 CO 0.04 -0.39 0.45 0.25 -1.06 0.00 0.00 177.43 176.72 1nxi h LEU 107 N -1.18 0.64 0.63 1.61 5.85 -1.36 0.24 115.31 121.73 1nxi h LEU 107 Ca -0.09 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1nxi h LEU 107 Cb 0.71 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.61 1nxi h LEU 107 CO 0.15 0.42 -0.30 0.00 -0.34 0.00 0.00 178.44 178.37 1nxi h ALA 108 N 1.62 -0.84 0.00 1.25 0.00 -0.61 -1.57 119.26 119.11 1nxi h ALA 108 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nxi h ALA 108 Cb 0.21 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nxi h ALA 108 CO -0.09 -0.85 0.00 1.49 0.00 0.00 0.00 179.25 179.81 1nxi h GLU 109 N -1.09 0.00 0.00 0.00 4.22 -0.54 -0.40 114.58 116.76 1nxi h GLU 109 Ca -0.09 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.27 1nxi h GLU 109 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1nxi h GLU 109 CO 0.14 0.00 -0.57 -0.22 -2.18 0.00 0.00 179.01 176.18 1nxi h LYS 110 N 0.00 0.00 0.00 1.92 1.63 -0.61 -3.41 116.57 116.09 1nxi h LYS 110 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nxi h LYS 110 Cb 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1nxi h LYS 110 CO 0.00 0.34 0.00 1.19 -3.45 0.00 0.00 179.45 177.53 1nxi n PHE 111 N -3.12 0.00 0.00 1.91 3.72 -0.23 -5.05 117.46 114.69 1nxi n PHE 111 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1nxi n PHE 111 Cb 0.70 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 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 -1.74 0.00 -4.65 4.37 9.92 -0.79 -5.10 116.55 118.56 1nxi n ASP 112 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1nxi n ASP 112 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1nxi s ILE 113 N 0.00 1.68 -0.10 0.53 -4.36 -1.20 -4.60 121.20 113.15 1nxi s ILE 113 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1nxi s ILE 113 Cb 0.00 -2.72 -0.02 0.00 1.25 0.00 0.00 42.46 40.97 1nxi s ILE 113 CO 0.00 0.00 -0.11 -0.51 0.24 0.00 0.00 174.94 174.56 1nxi s ILE 114 N -2.79 3.26 -0.73 8.37 2.07 -1.20 -4.50 121.20 125.68 1nxi s ILE 114 Ca 0.26 -0.62 -0.08 0.00 -1.41 0.00 0.00 60.65 58.80 1nxi s ILE 114 Cb 0.07 -2.34 0.19 0.00 0.13 0.00 0.00 42.46 40.51 1nxi s ILE 114 CO 0.13 0.56 0.61 -0.47 -1.91 0.00 0.00 174.94 173.85 1nxi s TYR 115 N -0.21 3.58 -0.44 3.50 5.04 -1.26 -3.90 117.35 123.67 1nxi s TYR 115 Ca 0.01 -2.43 0.05 0.00 -2.44 0.00 0.00 57.07 52.27 1nxi s TYR 115 Cb -0.13 -3.47 0.19 0.00 0.35 0.00 0.00 41.96 38.90 1nxi s TYR 115 CO 0.03 -0.90 0.49 -3.47 -1.34 0.00 0.00 175.55 170.36 1nxi n ASP 116 N 3.61 -1.31 0.00 4.32 2.03 -1.26 -4.98 116.55 118.97 1nxi n ASP 116 Ca 0.11 -2.60 0.00 0.00 0.52 0.00 0.00 54.79 52.82 1nxi n ASP 116 Cb 0.42 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1nxi n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nxi n GLY 117 N 2.62 -1.81 3.71 0.27 0.00 -1.26 -4.96 105.19 103.75 1nxi n GLY 117 Ca 0.25 0.77 -0.23 0.00 0.00 0.00 0.00 46.02 46.81 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 2.68 0.00 1.61 1.48 -1.26 -0.44 118.94 123.01 1nxi s TRP 118 Ca 0.00 -0.38 0.00 0.00 -1.06 0.00 0.00 56.10 54.66 1nxi s TRP 118 Cb 0.00 -1.60 0.00 0.00 -1.16 0.00 0.00 33.47 30.71 1nxi s TRP 118 CO 0.00 0.37 0.00 0.41 -4.06 0.00 0.00 176.95 173.67 1nxi n GLY 119 N -1.11 2.10 3.64 3.67 0.00 -0.82 -5.00 105.19 107.67 1nxi n GLY 119 Ca -0.03 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 1nxi n GLY 119 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nxi s THR 120 N -2.00 2.51 0.18 2.61 -1.32 -1.26 -1.48 115.64 114.88 1nxi s THR 120 Ca 0.00 -1.94 0.08 0.00 -1.21 0.00 0.00 61.69 58.62 1nxi s THR 120 Cb 0.00 -2.84 -0.04 0.00 -1.51 0.00 0.00 72.50 68.10 1nxi s THR 120 CO 0.00 -0.15 -0.15 -0.47 -2.21 0.00 0.00 174.62 171.64 1nxi s TYR 121 N -2.55 1.68 -0.94 9.09 6.14 -1.26 -5.01 117.35 124.49 1nxi s TYR 121 Ca 0.36 -0.55 -0.25 0.00 0.64 0.00 0.00 57.07 57.26 1nxi s TYR 121 Cb 0.02 -0.81 -0.19 0.00 0.42 0.00 0.00 41.96 41.40 1nxi s TYR 121 CO 0.20 0.31 1.95 0.66 0.64 0.00 0.00 175.55 179.31 1nxi n TYR 122 N -0.07 1.61 -4.19 4.97 4.01 -1.26 -4.10 117.16 118.12 1nxi n TYR 122 Ca -0.10 -0.91 -0.40 0.00 -0.16 0.00 0.00 57.90 56.32 1nxi n TYR 122 Cb 0.59 -2.26 -0.03 0.00 -0.31 0.00 0.00 39.34 37.33 1nxi n TYR 122 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1nxi n GLU 123 N 8.03 -0.54 -1.73 -0.72 2.13 -1.26 -4.20 120.64 122.35 1nxi n GLU 123 Ca 0.44 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1nxi n GLU 123 Cb 0.45 -2.96 0.00 0.00 0.27 0.00 0.00 31.44 29.20 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 -2.32 -4.28 3.31 8.31 0.00 -1.26 -5.05 105.19 103.90 1nxi n GLY 124 Ca -0.21 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.33 1nxi n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nxi s LEU 125 N -3.01 -0.31 -0.42 0.99 2.96 -1.26 -5.11 118.68 112.52 1nxi s LEU 125 Ca 0.00 0.43 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 1nxi s LEU 125 Cb 0.00 1.36 0.18 0.00 0.50 0.00 0.00 46.19 48.23 1nxi s LEU 125 CO 0.00 -0.06 0.41 -0.62 -1.32 0.00 0.00 176.35 174.76 1nxi n GLU 126 N 4.69 0.27 -2.68 1.98 -0.58 -1.26 -4.98 120.64 118.08 1nxi n GLU 126 Ca -0.08 -3.03 -0.05 0.00 -0.42 0.00 0.00 57.16 53.58 1nxi n GLU 126 Cb 0.54 -1.61 0.08 0.00 -0.57 0.00 0.00 31.44 29.88 1nxi n GLU 126 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1nxi n HIS 127 N 2.73 -0.87 -3.74 -0.32 -0.00 -1.26 -5.16 115.22 106.59 1nxi n HIS 127 Ca 0.28 -0.84 0.00 0.00 0.46 0.00 0.00 57.72 57.61 1nxi n HIS 127 Cb 0.49 1.16 0.00 0.00 -0.12 0.00 0.00 29.99 31.53 1nxi n HIS 127 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1nxi n HIS 128 N 1.41 0.00 -1.37 1.57 8.25 -1.26 -5.18 115.22 118.64 1nxi n HIS 128 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1nxi n HIS 128 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.81 1nxi n HIS 128 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1nxi n HIS 129 N 0.00 0.00 -1.26 4.41 1.44 -1.26 -5.06 115.22 113.50 1nxi n HIS 129 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1nxi n HIS 129 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1nxi n HIS 129 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1nxi n HIS 130 N 0.00 0.00 -2.59 -1.40 -0.00 -1.26 -5.06 115.22 104.91 1nxi n HIS 130 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1nxi n HIS 130 Cb 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 29.99 1nxi n HIS 130 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1nxi s HIS 131 N 0.00 2.50 -2.96 1.57 3.76 -1.26 -5.37 115.29 113.53 1nxi s HIS 131 Ca 0.00 -0.62 0.24 0.00 -0.15 0.00 0.00 55.06 54.52 1nxi s HIS 131 Cb 0.00 -4.64 0.19 0.00 1.11 0.00 0.00 32.58 29.24 1nxi s HIS 131 CO 0.00 -1.94 1.25 -2.39 -0.85 0.00 0.00 174.74 170.81