#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 6.58 -3.56 7.83 3.41 -1.26 -4.90 113.62 121.72 1nxi n SER 2 Ca 0.00 -3.75 -0.25 0.00 -0.26 0.00 0.00 58.87 54.61 1nxi n SER 2 Cb 0.00 -0.93 0.01 0.00 -0.26 0.00 0.00 64.21 63.03 1nxi n SER 2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1nxi n HIS 3 N -0.33 -2.45 -1.25 7.33 -0.00 -1.26 -4.57 115.22 112.68 1nxi n HIS 3 Ca 0.46 1.00 -0.27 0.00 -0.00 0.00 0.00 57.72 58.91 1nxi n HIS 3 Cb 0.33 -2.71 -0.11 0.00 -0.00 0.00 0.00 29.99 27.51 1nxi n HIS 3 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1nxi n GLN 4 N -1.61 0.30 -0.41 1.57 6.02 -1.26 -4.69 117.38 117.29 1nxi n GLN 4 Ca -0.18 -1.56 -0.02 0.00 -0.01 0.00 0.00 57.00 55.22 1nxi n GLN 4 Cb 0.65 -3.40 -0.03 0.00 1.02 0.00 0.00 30.24 28.49 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1nxi n ASP 5 N 15.16 3.51 0.00 1.08 5.68 -1.26 -2.63 116.55 138.09 1nxi n ASP 5 Ca 0.44 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1nxi n ASP 5 Cb 0.45 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1nxi n ASP 5 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1nxi n ASP 6 N 1.92 0.00 -3.66 -1.12 -0.08 -1.26 -5.06 116.55 107.29 1nxi n ASP 6 Ca 0.07 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.11 1nxi n ASP 6 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 1nxi n ASP 6 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1nxi n TYR 7 N -0.38 -1.50 -3.47 -0.67 4.02 -1.08 -4.89 117.16 109.18 1nxi n TYR 7 Ca 0.00 0.52 -0.27 0.00 -0.01 0.00 0.00 57.90 58.14 1nxi n TYR 7 Cb 0.00 -2.21 -0.10 0.00 -0.02 0.00 0.00 39.34 37.01 1nxi n TYR 7 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1nxi n LEU 8 N -2.71 0.52 0.02 7.72 7.94 -1.26 -4.88 117.00 124.36 1nxi n LEU 8 Ca -0.22 -4.64 0.00 0.00 -1.11 0.00 0.00 56.01 50.04 1nxi n LEU 8 Cb 0.54 0.24 0.00 0.00 0.53 0.00 0.00 43.42 44.72 1nxi n LEU 8 CO 0.54 1.88 0.00 -1.54 -1.11 0.00 0.00 177.39 177.15 1nxi n SER 9 N 2.37 -0.39 0.10 1.96 3.41 -1.26 -4.92 113.62 114.89 1nxi n SER 9 Ca 0.27 0.19 0.20 0.00 -0.26 0.00 0.00 58.87 59.27 1nxi n SER 9 Cb 0.46 0.57 0.71 0.00 -0.26 0.00 0.00 64.21 65.68 1nxi n SER 9 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1nxi h VAL 10 N 0.00 0.27 0.00 -3.33 -1.51 -2.01 0.85 116.25 110.51 1nxi h VAL 10 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.32 1nxi h VAL 10 Cb 0.00 0.57 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 1nxi h VAL 10 CO 0.00 0.00 -0.69 -0.08 -1.23 0.00 0.00 177.57 175.57 1nxi h GLU 11 N 0.00 0.00 0.23 5.19 4.81 -1.91 -2.91 114.58 120.00 1nxi h GLU 11 Ca 0.19 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1nxi h GLU 11 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1nxi h GLU 11 CO -0.00 0.69 -0.11 0.93 -0.73 0.00 0.00 179.01 179.79 1nxi h GLU 12 N 0.00 -0.30 -0.39 1.92 4.39 0.36 -2.02 114.58 118.54 1nxi h GLU 12 Ca -0.01 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1nxi h GLU 12 Cb 1.27 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.90 1nxi h GLU 12 CO 0.09 0.06 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.70 1nxi h LEU 13 N -0.89 -0.77 -1.28 1.33 3.38 -1.57 0.28 115.31 115.79 1nxi h LEU 13 Ca -0.03 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1nxi h LEU 13 Cb 0.51 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1nxi h LEU 13 CO 0.05 -0.25 0.54 0.40 0.09 0.00 0.00 178.44 179.27 1nxi h ILE 14 N -0.16 0.98 0.50 1.22 2.04 -1.57 -1.81 117.51 118.69 1nxi h ILE 14 Ca 0.19 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1nxi h ILE 14 Cb 0.46 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1nxi h ILE 14 CO -0.48 0.15 -0.24 -0.33 0.00 0.00 0.00 178.15 177.25 1nxi h GLU 15 N 0.82 -0.64 -0.44 2.37 4.39 0.20 -0.41 114.58 120.86 1nxi h GLU 15 Ca 0.38 0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.21 1nxi h GLU 15 Cb 0.39 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1nxi h GLU 15 CO -0.15 -0.34 -0.33 0.82 -1.16 0.00 0.00 179.01 177.85 1nxi h ILE 16 N -0.99 0.22 0.00 3.13 2.04 -0.48 0.79 117.51 122.21 1nxi h ILE 16 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1nxi h ILE 16 Cb 0.60 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1nxi h ILE 16 CO 0.11 0.00 0.00 -0.61 0.00 0.00 0.00 178.15 177.65 1nxi h GLN 17 N -0.24 0.00 -0.27 2.37 5.75 -1.36 -2.52 115.11 118.85 1nxi h GLN 17 Ca 0.18 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.64 1nxi h GLN 17 Cb 0.54 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1nxi h GLN 17 CO -0.57 0.00 -0.01 -0.22 -2.65 0.00 0.00 178.83 175.38 1nxi h LYS 18 N 0.00 0.48 0.16 1.69 3.64 0.24 0.14 116.57 122.91 1nxi h LYS 18 Ca 0.00 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1nxi h LYS 18 Cb 0.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1nxi h LYS 18 CO 0.00 0.65 -0.07 1.49 -2.27 0.00 0.00 179.45 179.24 1nxi h GLU 19 N 0.25 -0.20 -0.59 1.90 4.57 -1.07 -2.74 114.58 116.72 1nxi h GLU 19 Ca 0.07 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.36 1nxi h GLU 19 Cb 0.44 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.00 1nxi h GLU 19 CO 0.02 0.21 0.20 1.49 -1.18 0.00 0.00 179.01 179.75 1nxi h GLU 20 N -0.91 0.37 -0.17 1.92 4.81 -1.53 -1.67 114.58 117.40 1nxi h GLU 20 Ca -0.02 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1nxi h GLU 20 Cb 0.50 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1nxi h GLU 20 CO 0.04 0.24 -0.09 1.15 -0.73 0.00 0.00 179.01 179.62 1nxi h THR 21 N 0.38 0.71 -0.75 0.32 2.02 -0.78 -1.43 112.91 113.38 1nxi h THR 21 Ca 0.29 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.59 1nxi h THR 21 Cb 0.36 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 1nxi h THR 21 CO -0.31 0.00 0.35 0.03 0.37 0.00 0.00 175.52 175.96 1nxi h ARG 22 N -0.08 0.54 -0.24 6.66 3.08 -1.01 -1.19 114.38 122.14 1nxi h ARG 22 Ca 0.10 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1nxi h ARG 22 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1nxi h ARG 22 CO -0.22 0.36 0.13 0.22 -1.07 0.00 0.00 179.97 179.38 1nxi h ASP 23 N 0.55 0.20 0.24 7.04 3.58 -0.56 0.53 116.42 128.01 1nxi h ASP 23 Ca 0.39 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1nxi h ASP 23 Cb 0.50 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1nxi h ASP 23 CO -0.33 0.15 -0.14 0.40 -2.88 0.00 0.00 179.24 176.44 1nxi h ILE 24 N 0.27 0.00 -0.88 2.25 2.04 -0.33 -1.85 117.51 119.01 1nxi h ILE 24 Ca 0.10 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.19 1nxi h ILE 24 Cb 0.01 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.96 1nxi h ILE 24 CO -0.06 0.00 0.27 0.40 0.00 0.00 0.00 178.15 178.76 1nxi h ILE 25 N -0.36 0.35 0.04 -0.67 5.03 -1.30 -1.56 117.51 119.05 1nxi h ILE 25 Ca -0.03 -0.08 0.01 0.00 -0.12 0.00 0.00 64.86 64.63 1nxi h ILE 25 Cb 0.29 0.08 -0.02 0.00 -3.03 0.00 0.00 36.82 34.14 1nxi h ILE 25 CO 0.04 0.04 -0.22 1.56 -0.68 0.00 0.00 178.15 178.89 1nxi h GLN 26 N 0.25 -0.29 -0.95 2.37 1.08 -0.58 -0.08 115.11 116.90 1nxi h GLN 26 Ca 0.55 0.02 0.29 0.00 -1.45 0.00 0.00 58.65 58.06 1nxi h GLN 26 Cb 1.10 0.07 -0.18 0.00 -0.05 0.00 0.00 27.48 28.42 1nxi h GLN 26 CO -0.62 -0.20 0.13 0.00 -0.95 0.00 0.00 178.83 177.19 1nxi n ALA 27 N -2.65 0.60 0.13 3.87 0.00 -0.61 0.31 120.51 122.14 1nxi n ALA 27 Ca -0.03 1.01 0.02 0.00 0.00 0.00 0.00 53.44 54.44 1nxi n ALA 27 Cb 0.17 -0.79 0.38 0.00 0.00 0.00 0.00 19.45 19.20 1nxi n ALA 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nxi h LEU 28 N 0.00 0.20 0.22 0.00 3.38 -0.88 -1.58 115.31 116.65 1nxi h LEU 28 Ca 0.63 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 1nxi h LEU 28 Cb 1.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1nxi h LEU 28 CO -0.86 0.39 -0.11 -0.07 0.09 0.00 0.00 178.44 177.89 1nxi h LEU 29 N 0.19 -0.25 -2.67 1.67 4.07 0.65 0.35 115.31 119.33 1nxi h LEU 29 Ca 0.04 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1nxi h LEU 29 Cb 0.43 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1nxi h LEU 29 CO 0.03 0.24 0.00 -0.08 -1.08 0.00 0.00 178.44 177.55 1nxi h GLU 30 N -0.85 0.00 0.01 1.13 4.81 -1.13 -0.14 114.58 118.41 1nxi h GLU 30 Ca -0.03 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.98 1nxi h GLU 30 Cb 0.51 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1nxi h GLU 30 CO 0.05 0.00 -1.06 0.22 -0.73 0.00 0.00 179.01 177.49 1nxi h ASP 31 N 0.00 0.03 0.00 1.04 1.82 -1.10 -3.47 116.42 114.74 1nxi h ASP 31 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1nxi h ASP 31 Cb 0.01 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1nxi h ASP 31 CO 0.00 1.03 0.00 0.61 -1.61 0.00 0.00 179.24 179.27 1nxi n GLY 32 N 1.38 1.05 3.72 -0.78 0.00 -0.06 -5.09 105.19 105.40 1nxi n GLY 32 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1nxi n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nxi s SER 33 N -1.29 6.72 0.01 1.61 0.15 0.12 -5.00 113.70 116.02 1nxi s SER 33 Ca 0.00 2.48 -0.01 0.00 0.70 0.00 0.00 55.95 59.13 1nxi s SER 33 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1nxi s SER 33 CO 0.00 -0.71 0.11 -1.81 1.20 0.00 0.00 173.24 172.03 1nxi s ASP 34 N 0.95 5.87 0.06 5.45 1.01 -1.26 -4.70 116.67 124.05 1nxi s ASP 34 Ca 0.65 0.19 0.19 0.00 0.71 0.00 0.00 52.55 54.28 1nxi s ASP 34 Cb -0.40 -1.72 0.78 0.00 1.01 0.00 0.00 42.92 42.58 1nxi s ASP 34 CO 0.33 0.26 1.59 -0.81 0.21 0.00 0.00 175.17 176.74 1nxi n PRO 35 N 1.02 0.05 -0.06 8.23 -0.04 -1.26 -2.41 135.00 140.53 1nxi n PRO 35 Ca -0.12 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1nxi n PRO 35 Cb 0.52 -1.59 0.13 0.00 -0.04 0.00 0.00 33.50 32.53 1nxi n PRO 35 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nxi n ASP 36 N -1.68 3.09 0.13 3.54 5.68 -1.26 -4.20 116.55 121.84 1nxi n ASP 36 Ca 0.04 -1.97 0.02 0.00 -0.50 0.00 0.00 54.79 52.38 1nxi n ASP 36 Cb 0.21 -0.08 0.02 0.00 -1.14 0.00 0.00 41.12 40.13 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nxi h ALA 37 N 4.46 0.67 -1.22 2.12 0.00 -1.89 -3.50 119.26 119.90 1nxi h ALA 37 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nxi h ALA 37 Cb 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nxi h ALA 37 CO 0.00 0.64 -0.30 -0.11 0.00 0.00 0.00 179.25 179.48 1nxi n LEU 38 N -3.20 -1.33 -4.40 0.00 7.94 -1.26 -5.05 117.00 109.69 1nxi n LEU 38 Ca 0.01 1.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.71 1nxi n LEU 38 Cb 0.74 -0.32 -0.10 0.00 0.53 0.00 0.00 43.42 44.27 1nxi n LEU 38 CO 0.41 0.11 -0.36 -0.31 -1.11 0.00 0.00 177.39 176.13 1nxi s TYR 39 N -2.65 1.84 -0.41 1.96 1.51 0.44 -4.96 117.35 115.08 1nxi s TYR 39 Ca 0.00 -0.75 -0.05 0.00 -1.01 0.00 0.00 57.07 55.26 1nxi s TYR 39 Cb 0.00 -1.05 0.10 0.00 -0.11 0.00 0.00 41.96 40.90 1nxi s TYR 39 CO 0.00 0.20 0.22 -1.21 -1.11 0.00 0.00 175.55 173.65 1nxi s GLU 40 N -3.76 2.19 0.08 -0.62 2.02 -1.26 -1.58 118.70 115.77 1nxi s GLU 40 Ca 0.29 -1.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.24 1nxi s GLU 40 Cb 0.04 -3.65 -0.06 0.00 0.10 0.00 0.00 34.13 30.57 1nxi s GLU 40 CO 0.11 -1.05 1.16 0.42 0.02 0.00 0.00 175.26 175.92 1nxi s ILE 41 N 1.22 4.06 -0.17 -1.63 -1.09 -1.00 -3.32 121.20 119.28 1nxi s ILE 41 Ca 0.06 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 60.02 1nxi s ILE 41 Cb -0.23 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1nxi s ILE 41 CO -0.03 0.15 -0.15 -1.83 -1.23 0.00 0.00 174.94 171.85 1nxi s GLU 42 N 0.78 2.42 0.17 2.79 -1.05 0.20 -1.77 118.70 122.24 1nxi s GLU 42 Ca 0.56 -0.74 0.04 0.00 -0.15 0.00 0.00 54.97 54.69 1nxi s GLU 42 Cb -0.29 -2.34 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 1nxi s GLU 42 CO 0.30 -0.29 0.20 -1.01 0.95 0.00 0.00 175.26 175.41 1nxi s HIS 43 N 1.39 3.27 -0.25 4.83 3.76 -0.52 -1.24 115.29 126.52 1nxi s HIS 43 Ca 0.03 0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 1nxi s HIS 43 Cb -0.14 -1.56 0.08 0.00 1.11 0.00 0.00 32.58 32.07 1nxi s HIS 43 CO -0.10 0.51 0.06 -1.58 -0.85 0.00 0.00 174.74 172.78 1nxi s HIS 44 N -1.78 1.36 0.15 1.40 2.46 0.07 -1.13 115.29 117.82 1nxi s HIS 44 Ca 0.32 -1.30 0.09 0.00 0.47 0.00 0.00 55.06 54.64 1nxi s HIS 44 Cb -0.10 -1.35 -0.04 0.00 -0.13 0.00 0.00 32.58 30.96 1nxi s HIS 44 CO 0.25 -0.76 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.11 1nxi s LEU 45 N 1.74 2.81 0.18 8.88 1.02 -0.94 -4.23 118.68 128.14 1nxi s LEU 45 Ca 0.04 -0.58 0.02 0.00 0.02 0.00 0.00 54.13 53.63 1nxi s LEU 45 Cb -0.17 -1.57 -0.05 0.00 0.02 0.00 0.00 46.19 44.42 1nxi s LEU 45 CO -0.18 0.14 -0.02 0.72 0.02 0.00 0.00 176.35 177.04 1nxi s PHE 46 N -1.42 1.26 0.32 0.29 -0.71 -1.26 -1.34 117.98 115.13 1nxi s PHE 46 Ca 0.21 -0.96 -0.05 0.00 -1.04 0.00 0.00 56.93 55.09 1nxi s PHE 46 Cb -0.10 -0.71 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 1nxi s PHE 46 CO 0.12 -0.14 0.48 0.00 -1.34 0.00 0.00 175.22 174.35 1nxi s ALA 47 N -3.57 0.52 -0.07 1.99 0.00 -0.88 -3.86 121.76 115.89 1nxi s ALA 47 Ca 0.23 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1nxi s ALA 47 Cb 0.05 1.12 -0.10 0.00 0.00 0.00 0.00 23.12 24.20 1nxi s ALA 47 CO 0.04 -0.81 0.04 -1.91 0.00 0.00 0.00 175.76 173.13 1nxi n GLU 48 N -0.52 2.49 -3.27 0.00 2.13 -1.26 -3.21 120.64 117.01 1nxi n GLU 48 Ca -0.00 -0.01 -0.45 0.00 0.66 0.00 0.00 57.16 57.35 1nxi n GLU 48 Cb 0.62 -1.19 -0.05 0.00 0.27 0.00 0.00 31.44 31.09 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1nxi s ASP 49 N -3.79 6.19 0.33 4.31 1.01 -1.26 -4.92 116.67 118.53 1nxi s ASP 49 Ca -0.04 -1.64 0.10 0.00 0.71 0.00 0.00 52.55 51.68 1nxi s ASP 49 Cb 0.03 -2.23 1.00 0.00 1.01 0.00 0.00 42.92 42.72 1nxi s ASP 49 CO 0.31 -0.90 1.60 0.15 0.21 0.00 0.00 175.17 176.54 1nxi h PHE 50 N 8.95 0.47 0.53 4.23 3.57 -1.99 0.19 116.94 132.89 1nxi h PHE 50 Ca -0.30 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 1nxi h PHE 50 Cb 1.10 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1nxi h PHE 50 CO 0.75 -0.37 -0.50 -0.44 -2.23 0.00 0.00 178.31 175.52 1nxi h ASP 51 N 0.09 -1.35 -0.05 0.41 3.32 -2.00 0.33 116.42 117.16 1nxi h ASP 51 Ca 0.70 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.86 1nxi h ASP 51 Cb 1.62 0.44 -0.00 0.00 0.22 0.00 0.00 39.33 41.61 1nxi h ASP 51 CO -0.77 -0.67 0.14 0.50 -1.72 0.00 0.00 179.24 176.72 1nxi h LYS 52 N -1.02 0.00 0.19 3.56 1.63 -1.15 -1.96 116.57 117.83 1nxi h LYS 52 Ca -0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1nxi h LYS 52 Cb 0.87 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1nxi h LYS 52 CO -0.04 0.00 -0.09 1.25 -3.45 0.00 0.00 179.45 177.12 1nxi h LEU 53 N 0.00 -0.22 -2.20 5.20 6.46 0.10 -2.34 115.31 122.31 1nxi h LEU 53 Ca 0.02 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1nxi h LEU 53 Cb 0.31 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1nxi h LEU 53 CO -0.00 0.22 -0.06 -0.33 -0.62 0.00 0.00 178.44 177.65 1nxi h GLU 54 N -0.72 0.00 0.51 1.25 4.39 -0.57 -0.62 114.58 118.83 1nxi h GLU 54 Ca -0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1nxi h GLU 54 Cb 0.50 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1nxi h GLU 54 CO 0.04 0.06 -0.25 0.87 -1.16 0.00 0.00 179.01 178.58 1nxi h LYS 55 N 0.00 -0.67 -0.28 2.33 1.57 -1.24 0.13 116.57 118.42 1nxi h LYS 55 Ca -0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1nxi h LYS 55 Cb 0.20 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1nxi h LYS 55 CO 0.01 -0.44 0.18 0.00 -0.57 0.00 0.00 179.45 178.63 1nxi h ALA 56 N -1.27 0.35 -0.27 3.86 0.00 -1.28 -1.03 119.26 119.63 1nxi h ALA 56 Ca -0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1nxi h ALA 56 Cb 0.53 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1nxi h ALA 56 CO 0.12 -0.17 0.03 0.00 0.00 0.00 0.00 179.25 179.22 1nxi h ALA 57 N 1.10 0.26 -0.49 0.00 0.00 -1.18 0.16 119.26 119.10 1nxi h ALA 57 Ca 0.10 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1nxi h ALA 57 Cb -0.04 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1nxi h ALA 57 CO -0.02 -0.38 0.17 0.28 0.00 0.00 0.00 179.25 179.29 1nxi h VAL 58 N 0.12 0.82 -0.35 0.00 2.07 -0.33 0.16 116.25 118.74 1nxi h VAL 58 Ca 0.12 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1nxi h VAL 58 Cb 0.14 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1nxi h VAL 58 CO -0.18 0.06 0.04 -0.08 0.02 0.00 0.00 177.57 177.43 1nxi h GLU 59 N 0.34 0.53 0.27 1.57 4.22 -0.36 -2.45 114.58 118.70 1nxi h GLU 59 Ca 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 1nxi h GLU 59 Cb 0.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1nxi h GLU 59 CO -0.25 0.53 -0.13 0.00 -2.18 0.00 0.00 179.01 176.98 1nxi h ALA 60 N 1.54 -0.61 -1.06 2.92 0.00 0.12 -2.05 119.26 120.12 1nxi h ALA 60 Ca 0.12 -0.08 0.43 0.00 0.00 0.00 0.00 54.91 55.37 1nxi h ALA 60 Cb 0.27 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.03 1nxi h ALA 60 CO 0.00 -0.58 0.59 0.35 0.00 0.00 0.00 179.25 179.61 1nxi h PHE 61 N -0.62 0.79 -0.22 0.00 3.57 -0.79 1.22 116.94 120.90 1nxi h PHE 61 Ca -0.04 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1nxi h PHE 61 Cb 0.28 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1nxi h PHE 61 CO 0.06 -0.44 0.03 -0.22 -2.23 0.00 0.00 178.31 175.51 1nxi h LYS 62 N 0.01 0.36 -0.92 1.11 3.64 -1.38 -2.78 116.57 116.63 1nxi h LYS 62 Ca 0.85 -0.10 0.26 0.00 -1.27 0.00 0.00 60.65 60.39 1nxi h LYS 62 Cb 2.32 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 33.96 1nxi h LYS 62 CO -0.72 0.51 0.35 1.98 -2.27 0.00 0.00 179.45 179.31 1nxi h MET 63 N 0.16 0.27 0.00 1.90 4.05 0.23 -3.43 114.93 118.10 1nxi h MET 63 Ca 0.07 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1nxi h MET 63 Cb 0.33 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1nxi h MET 63 CO 0.01 0.18 0.00 0.41 0.23 0.00 0.00 176.91 177.73 1nxi n GLY 64 N -1.35 -0.93 3.96 1.39 0.00 -1.05 -5.12 105.19 102.09 1nxi n GLY 64 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 3.21 -0.61 1.61 0.40 -1.23 -4.89 117.98 116.48 1nxi s PHE 65 Ca 0.00 0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.42 1nxi s PHE 65 Cb 0.00 -2.26 0.16 0.00 0.51 0.00 0.00 43.02 41.42 1nxi s PHE 65 CO 0.00 -0.30 0.48 -1.21 0.70 0.00 0.00 175.22 174.89 1nxi s GLU 66 N -4.50 2.80 0.28 0.44 8.01 0.74 -4.20 118.70 122.26 1nxi s GLU 66 Ca 0.48 -2.16 -0.30 0.00 0.01 0.00 0.00 54.97 53.00 1nxi s GLU 66 Cb -0.10 -4.01 -0.11 0.00 -4.31 0.00 0.00 34.13 25.60 1nxi s GLU 66 CO 0.37 -1.22 1.57 0.54 0.01 0.00 0.00 175.26 176.53 1nxi s VAL 67 N 0.66 2.20 -0.04 2.63 0.11 -1.26 -1.32 120.40 123.38 1nxi s VAL 67 Ca 0.12 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1nxi s VAL 67 Cb -0.21 -3.10 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 1nxi s VAL 67 CO -0.03 0.03 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.45 1nxi s LEU 68 N -0.34 3.06 0.91 2.54 0.20 1.57 -4.92 118.68 121.70 1nxi s LEU 68 Ca 0.63 -0.11 -0.16 0.00 0.69 0.00 0.00 54.13 55.19 1nxi s LEU 68 Cb -0.47 -1.69 -0.09 0.00 -0.43 0.00 0.00 46.19 43.51 1nxi s LEU 68 CO 0.46 0.33 -0.29 -0.62 -0.29 0.00 0.00 176.35 175.94 1nxi n GLU 69 N 2.01 -0.05 -3.03 1.98 -0.58 -1.26 -2.08 120.64 117.64 1nxi n GLU 69 Ca -0.17 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.38 1nxi n GLU 69 Cb 0.53 -1.31 0.06 0.00 -0.57 0.00 0.00 31.44 30.14 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nxi s ALA 70 N -2.10 4.69 -0.22 0.62 0.00 -1.26 -3.95 121.76 119.55 1nxi s ALA 70 Ca 0.49 -2.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.31 1nxi s ALA 70 Cb -0.24 -1.48 0.10 0.00 0.00 0.00 0.00 23.12 21.50 1nxi s ALA 70 CO 0.75 -0.80 0.20 -2.00 0.00 0.00 0.00 175.76 173.91 1nxi s GLU 71 N -4.64 0.19 -0.82 0.00 2.12 -1.20 -4.90 118.70 109.47 1nxi s GLU 71 Ca 0.61 0.01 -0.14 0.00 0.36 0.00 0.00 54.97 55.81 1nxi s GLU 71 Cb -0.06 -1.20 -0.24 0.00 0.26 0.00 0.00 34.13 32.89 1nxi s GLU 71 CO 0.38 -0.77 1.93 0.39 -0.54 0.00 0.00 175.26 176.65 1nxi n GLU 72 N 5.30 0.00 -0.21 4.30 1.02 -1.26 -4.44 120.64 125.36 1nxi n GLU 72 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1nxi n GLU 72 Cb 0.48 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 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 5.11 0.00 -3.56 2.62 5.66 -1.18 -4.96 114.28 117.97 1nxi n THR 73 Ca 0.55 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.40 1nxi n THR 73 Cb 0.08 -0.45 -0.06 0.00 -1.55 0.00 0.00 70.33 68.35 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 1.38 0.84 0.00 1.09 -1.05 -1.26 -3.48 118.70 116.22 1nxi s GLU 74 Ca 0.00 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1nxi s GLU 74 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1nxi s GLU 74 CO 0.00 -0.24 0.51 -3.47 0.95 0.00 0.00 175.26 173.02 1nxi n ASP 75 N 1.13 1.48 0.00 0.83 2.03 -1.26 -4.60 116.55 116.16 1nxi n ASP 75 Ca -0.15 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.15 1nxi n ASP 75 Cb 0.57 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 1.02 0.00 0.11 -0.67 2.13 -1.26 -4.60 120.64 117.37 1nxi n GLU 76 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1nxi n GLU 76 Cb 0.21 -3.82 0.03 0.00 0.27 0.00 0.00 31.44 28.13 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nxi h ASP 77 N 0.00 0.00 0.00 4.31 5.19 -2.02 -3.48 116.42 120.43 1nxi h ASP 77 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1nxi h ASP 77 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1nxi h ASP 77 CO 0.00 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.75 1nxi n GLY 78 N 1.20 0.71 0.00 2.75 0.00 -1.26 -5.14 105.19 103.44 1nxi n GLY 78 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1nxi n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nxi n ASN 79 N 0.00 1.25 -3.69 1.61 4.13 -1.26 -5.04 115.26 112.26 1nxi n ASN 79 Ca 0.00 -0.28 -0.11 0.00 1.68 0.00 0.00 54.58 55.87 1nxi n ASN 79 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 1nxi n ASN 79 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1nxi s LYS 80 N 0.16 0.28 -0.14 3.52 2.36 -1.26 -4.63 119.74 120.02 1nxi s LYS 80 Ca 0.00 0.74 -0.29 0.00 -2.55 0.00 0.00 55.97 53.88 1nxi s LYS 80 Cb 0.00 0.00 0.08 0.00 -1.05 0.00 0.00 37.83 36.86 1nxi s LYS 80 CO 0.00 -0.20 0.75 -0.48 1.55 0.00 0.00 175.35 176.97 1nxi s LEU 81 N 1.72 -0.64 0.10 5.43 2.34 -1.23 -5.02 118.68 121.39 1nxi s LEU 81 Ca -0.06 0.91 -0.25 0.00 0.06 0.00 0.00 54.13 54.79 1nxi s LEU 81 Cb -0.10 2.41 -0.07 0.00 -0.56 0.00 0.00 46.19 47.87 1nxi s LEU 81 CO -0.11 -0.44 0.76 -0.76 -1.06 0.00 0.00 176.35 174.74 1nxi s LEU 82 N -0.62 4.52 -0.30 1.48 1.02 -1.20 -3.09 118.68 120.49 1nxi s LEU 82 Ca -0.06 1.52 0.00 0.00 0.02 0.00 0.00 54.13 55.62 1nxi s LEU 82 Cb -0.02 -3.24 0.10 0.00 0.02 0.00 0.00 46.19 43.04 1nxi s LEU 82 CO 0.05 0.11 0.07 0.00 0.02 0.00 0.00 176.35 176.61 1nxi s PHE 84 N 1.47 3.56 0.19 0.00 -0.71 -0.45 -3.26 117.98 118.79 1nxi s PHE 84 Ca 0.08 0.91 0.06 0.00 -1.04 0.00 0.00 56.93 56.94 1nxi s PHE 84 Cb -0.18 -2.26 -0.04 0.00 -1.21 0.00 0.00 43.02 39.34 1nxi s PHE 84 CO -0.20 0.43 0.13 0.34 -1.34 0.00 0.00 175.22 174.59 1nxi s ASP 85 N -1.88 5.39 0.12 1.98 2.15 -0.88 -2.20 116.67 121.34 1nxi s ASP 85 Ca 0.38 -0.22 0.07 0.00 0.43 0.00 0.00 52.55 53.21 1nxi s ASP 85 Cb -0.14 -1.35 -0.04 0.00 -0.30 0.00 0.00 42.92 41.09 1nxi s ASP 85 CO 0.19 0.04 -0.17 0.00 -0.17 0.00 0.00 175.17 175.06 1nxi s ALA 86 N -1.88 1.64 0.05 3.66 0.00 -0.28 0.45 121.76 125.40 1nxi s ALA 86 Ca 0.31 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1nxi s ALA 86 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1nxi s ALA 86 CO 0.23 0.22 -0.14 0.95 0.00 0.00 0.00 175.76 177.02 1nxi s THR 87 N -1.69 1.10 -0.28 0.00 -4.23 -0.43 -1.44 115.64 108.67 1nxi s THR 87 Ca 0.08 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1nxi s THR 87 Cb -0.07 -1.02 0.17 0.00 1.34 0.00 0.00 72.50 72.91 1nxi s THR 87 CO 0.04 -0.07 0.47 -0.32 -0.54 0.00 0.00 174.62 174.20 1nxi s MET 88 N -1.31 0.45 -0.28 3.99 0.00 -0.73 -0.19 119.30 121.23 1nxi s MET 88 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 55.69 55.89 1nxi s MET 88 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 34.83 34.64 1nxi s MET 88 CO 0.02 -0.85 1.58 -0.65 0.00 0.00 0.00 175.02 175.12 1nxi s GLN 89 N 2.66 3.69 0.33 4.11 -0.21 -1.26 -2.37 119.66 126.60 1nxi s GLN 89 Ca 0.13 1.44 0.06 0.00 0.02 0.00 0.00 55.36 57.01 1nxi s GLN 89 Cb -0.13 -4.04 -0.02 0.00 1.00 0.00 0.00 33.01 29.81 1nxi s GLN 89 CO -0.24 -1.43 0.32 -1.13 -2.12 0.00 0.00 175.29 170.70 1nxi n SER 90 N 8.76 -0.83 -3.06 5.90 3.41 -0.61 -4.94 113.62 122.25 1nxi n SER 90 Ca 0.19 -3.07 -0.16 0.00 -0.26 0.00 0.00 58.87 55.57 1nxi n SER 90 Cb 0.46 1.81 0.13 0.00 -0.26 0.00 0.00 64.21 66.35 1nxi n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nxi n ALA 91 N -0.77 -1.83 -3.73 7.33 0.00 -1.26 -0.42 120.51 119.84 1nxi n ALA 91 Ca -0.12 -0.85 -0.36 0.00 0.00 0.00 0.00 53.44 52.12 1nxi n ALA 91 Cb 0.58 -0.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 1nxi n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nxi s LEU 92 N 0.00 4.94 -0.21 0.00 2.96 -1.26 -4.41 118.68 120.70 1nxi s LEU 92 Ca 0.37 -1.85 -0.27 0.00 -0.22 0.00 0.00 54.13 52.16 1nxi s LEU 92 Cb -0.04 -1.80 0.08 0.00 0.50 0.00 0.00 46.19 44.92 1nxi s LEU 92 CO 0.28 -0.47 0.74 -1.81 -1.32 0.00 0.00 176.35 173.77 1nxi s ASP 93 N 1.67 -0.69 -0.01 3.68 1.01 -1.26 -4.92 116.67 116.14 1nxi s ASP 93 Ca 0.05 1.17 -0.26 0.00 0.71 0.00 0.00 52.55 54.23 1nxi s ASP 93 Cb -0.22 1.13 -0.20 0.00 1.01 0.00 0.00 42.92 44.65 1nxi s ASP 93 CO -0.03 -0.35 1.30 0.00 0.21 0.00 0.00 175.17 176.30 1nxi h ALA 94 N 4.31 -0.02 -0.32 5.23 0.00 -1.97 -1.31 119.26 125.19 1nxi h ALA 94 Ca -0.28 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.48 1nxi h ALA 94 Cb 1.16 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1nxi h ALA 94 CO 0.16 -0.29 -0.14 1.57 0.00 0.00 0.00 179.25 180.54 1nxi h LYS 95 N -0.47 -0.09 -0.54 0.00 2.10 -1.97 0.22 116.57 115.82 1nxi h LYS 95 Ca -0.00 0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nxi h LYS 95 Cb 0.45 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.77 1nxi h LYS 95 CO 0.00 -0.06 0.33 -0.07 -2.00 0.00 0.00 179.45 177.65 1nxi h LEU 96 N -0.09 0.65 -1.20 7.07 3.38 -1.97 0.03 115.31 123.18 1nxi h LEU 96 Ca 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1nxi h LEU 96 Cb 0.33 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nxi h LEU 96 CO -0.37 0.50 -0.07 0.40 0.09 0.00 0.00 178.44 178.99 1nxi h ILE 97 N 0.75 0.16 0.07 1.22 2.04 0.33 -2.74 117.51 119.35 1nxi h ILE 97 Ca 0.20 -0.75 -0.27 0.00 1.00 0.00 0.00 64.86 65.05 1nxi h ILE 97 Cb -0.03 1.64 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1nxi h ILE 97 CO -0.04 0.07 -1.13 0.44 0.00 0.00 0.00 178.15 177.49 1nxi h ASP 98 N 0.00 0.65 -0.08 1.72 5.19 0.13 -2.07 116.42 121.97 1nxi h ASP 98 Ca -0.00 -0.59 -0.02 0.00 -0.62 0.00 0.00 57.03 55.80 1nxi h ASP 98 Cb 0.63 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 1nxi h ASP 98 CO 0.01 1.41 -0.04 -0.33 -3.12 0.00 0.00 179.24 177.16 1nxi h GLU 99 N 0.22 0.16 0.17 3.56 5.08 -1.27 0.11 114.58 122.61 1nxi h GLU 99 Ca -0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1nxi h GLU 99 Cb 1.80 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1nxi h GLU 99 CO 0.20 0.55 -0.08 1.96 -1.00 0.00 0.00 179.01 180.63 1nxi h GLN 100 N -0.22 -0.22 0.00 2.33 7.50 -1.58 -1.55 115.11 121.37 1nxi h GLN 100 Ca 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 1nxi h GLN 100 Cb 0.50 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.08 1nxi h GLN 100 CO 0.01 -0.10 -0.03 0.28 -1.50 0.00 0.00 178.83 177.49 1nxi h VAL 101 N -0.29 0.79 -0.54 -0.54 2.07 -1.39 -1.64 116.25 114.72 1nxi h VAL 101 Ca -0.02 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1nxi h VAL 101 Cb 0.22 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1nxi h VAL 101 CO 0.04 0.03 0.16 -0.08 0.02 0.00 0.00 177.57 177.74 1nxi h GLU 102 N 0.00 0.84 -0.40 1.57 4.81 0.21 0.32 114.58 121.94 1nxi h GLU 102 Ca -0.00 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1nxi h GLU 102 Cb 0.07 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1nxi h GLU 102 CO 0.00 0.78 0.17 0.87 -0.73 0.00 0.00 179.01 180.10 1nxi h LYS 103 N 0.75 0.60 0.00 1.92 1.57 -0.76 -1.14 116.57 119.52 1nxi h LYS 103 Ca 0.17 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1nxi h LYS 103 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1nxi h LYS 103 CO -0.00 0.56 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.13 1nxi h LEU 104 N 0.51 0.00 0.30 2.94 3.38 -1.23 -0.33 115.31 120.88 1nxi h LEU 104 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1nxi h LEU 104 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nxi h LEU 104 CO -0.01 0.24 -0.14 0.58 0.09 0.00 0.00 178.44 179.19 1nxi h VAL 105 N 0.00 0.40 0.13 1.22 2.07 -0.20 -1.61 116.25 118.26 1nxi h VAL 105 Ca -0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1nxi h VAL 105 Cb 0.46 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1nxi h VAL 105 CO 0.03 0.10 -0.06 0.78 0.02 0.00 0.00 177.57 178.43 1nxi h ASN 106 N -1.00 -0.15 -0.54 0.57 -0.26 -1.18 -1.28 115.58 111.73 1nxi h ASN 106 Ca -0.04 -0.08 0.08 0.00 -0.56 0.00 0.00 56.30 55.70 1nxi h ASN 106 Cb 0.47 0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 37.71 1nxi h ASN 106 CO 0.07 -0.02 0.20 0.25 -1.06 0.00 0.00 177.43 176.86 1nxi h LEU 107 N -0.28 0.20 0.09 1.61 5.85 -1.17 0.16 115.31 121.78 1nxi h LEU 107 Ca -0.02 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1nxi h LEU 107 Cb 0.22 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1nxi h LEU 107 CO 0.03 0.14 -0.05 0.00 -0.34 0.00 0.00 178.44 178.21 1nxi h ALA 108 N 1.36 -0.14 0.00 1.25 0.00 -1.09 -1.34 119.26 119.30 1nxi h ALA 108 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nxi h ALA 108 Cb 0.29 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nxi h ALA 108 CO -0.26 -0.58 -0.06 0.93 0.00 0.00 0.00 179.25 179.28 1nxi h GLU 109 N -0.14 0.00 0.00 0.00 4.39 -0.69 -0.99 114.58 117.15 1nxi h GLU 109 Ca -0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1nxi h GLU 109 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1nxi h GLU 109 CO 0.01 0.06 -0.41 -0.22 -1.16 0.00 0.00 179.01 177.29 1nxi h LYS 110 N 0.00 0.00 0.00 2.33 3.64 0.31 -3.39 116.57 119.46 1nxi h LYS 110 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nxi h LYS 110 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1nxi h LYS 110 CO 0.01 0.41 0.00 1.19 -2.27 0.00 0.00 179.45 178.79 1nxi n PHE 111 N -3.24 0.00 0.00 1.91 3.72 -0.56 -5.04 117.46 114.25 1nxi n PHE 111 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1nxi n PHE 111 Cb 0.67 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 -2.08 0.00 -4.50 4.37 8.00 -0.49 -5.11 116.55 116.75 1nxi n ASP 112 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1nxi n ASP 112 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.54 0.12 0.53 -4.36 -1.06 -4.82 121.20 113.15 1nxi s ILE 113 Ca 0.00 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.43 1nxi s ILE 113 Cb 0.00 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 1nxi s ILE 113 CO 0.00 -0.06 -0.05 -0.51 0.24 0.00 0.00 174.94 174.55 1nxi s ILE 114 N -3.05 3.59 -0.45 8.37 2.07 -1.25 -4.16 121.20 126.32 1nxi s ILE 114 Ca 0.35 -1.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 1nxi s ILE 114 Cb 0.08 -2.72 0.12 0.00 0.13 0.00 0.00 42.46 40.07 1nxi s ILE 114 CO 0.16 0.04 0.20 -0.47 -1.91 0.00 0.00 174.94 172.97 1nxi s TYR 115 N -1.39 3.52 -0.41 3.50 5.04 -1.26 -4.08 117.35 122.28 1nxi s TYR 115 Ca 0.24 -2.85 0.05 0.00 -2.44 0.00 0.00 57.07 52.07 1nxi s TYR 115 Cb -0.11 -3.03 0.17 0.00 0.35 0.00 0.00 41.96 39.34 1nxi s TYR 115 CO 0.16 -0.89 0.47 0.34 -1.34 0.00 0.00 175.55 174.29 1nxi s ASP 116 N 0.82 0.36 0.00 4.32 -1.08 -1.26 -5.01 116.67 114.82 1nxi s ASP 116 Ca 0.13 -1.70 0.00 0.00 -0.52 0.00 0.00 52.55 50.46 1nxi s ASP 116 Cb -0.22 0.86 0.00 0.00 -1.46 0.00 0.00 42.92 42.10 1nxi s ASP 116 CO -0.04 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.06 1nxi n GLY 117 N 3.86 -1.45 3.57 2.66 0.00 -1.26 -4.95 105.19 107.62 1nxi n GLY 117 Ca 0.15 0.54 -0.24 0.00 0.00 0.00 0.00 46.02 46.48 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 2.52 0.13 1.61 1.48 -1.26 -0.75 118.94 122.67 1nxi s TRP 118 Ca 0.00 -0.27 -0.26 0.00 -1.06 0.00 0.00 56.10 54.51 1nxi s TRP 118 Cb 0.00 -1.11 0.07 0.00 -1.16 0.00 0.00 33.47 31.27 1nxi s TRP 118 CO 0.00 0.66 1.00 0.20 -4.06 0.00 0.00 176.95 174.75 1nxi s GLY 119 N -3.57 -0.25 -0.01 3.67 0.00 -0.37 -5.01 107.32 101.78 1nxi s GLY 119 Ca 0.31 0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.24 1nxi s GLY 119 CO 0.18 0.02 -0.04 -1.08 0.00 0.00 0.00 173.10 172.17 1nxi s THR 120 N -3.17 0.34 0.23 0.90 -1.32 -1.26 -0.63 115.64 110.73 1nxi s THR 120 Ca 0.13 -0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.33 1nxi s THR 120 Cb -0.01 -0.30 -0.07 0.00 -1.51 0.00 0.00 72.50 70.61 1nxi s THR 120 CO 0.01 0.11 0.59 -0.31 -2.21 0.00 0.00 174.62 172.81 1nxi s TYR 121 N 0.05 3.45 0.34 9.09 1.51 -1.21 -5.01 117.35 125.58 1nxi s TYR 121 Ca -0.00 0.98 0.08 0.00 -1.01 0.00 0.00 57.07 57.11 1nxi s TYR 121 Cb -0.03 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 1nxi s TYR 121 CO -0.00 0.27 0.19 -0.47 -1.11 0.00 0.00 175.55 174.43 1nxi s TYR 122 N -1.78 2.76 0.34 2.71 5.04 -1.26 -4.33 117.35 120.83 1nxi s TYR 122 Ca 0.47 -0.37 -0.06 0.00 -2.44 0.00 0.00 57.07 54.67 1nxi s TYR 122 Cb -0.12 -1.71 0.08 0.00 0.35 0.00 0.00 41.96 40.56 1nxi s TYR 122 CO 0.20 0.27 0.42 0.39 -1.34 0.00 0.00 175.55 175.50 1nxi n GLU 123 N -1.23 -0.73 0.00 4.97 1.02 -1.26 -4.93 120.64 118.48 1nxi n GLU 123 Ca -0.02 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 1nxi n GLU 123 Cb 0.61 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nxi n GLY 124 N 1.64 -1.80 3.20 0.62 0.00 -1.26 -5.02 105.19 102.57 1nxi n GLY 124 Ca 0.05 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 1nxi n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nxi n LEU 125 N 0.00 -5.62 -2.29 0.99 4.77 -1.26 -4.18 117.00 109.42 1nxi n LEU 125 Ca 0.00 -0.67 -0.03 0.00 -0.03 0.00 0.00 56.01 55.28 1nxi n LEU 125 Cb 0.00 -3.16 0.00 0.00 -2.33 0.00 0.00 43.42 37.94 1nxi n LEU 125 CO 0.00 0.05 0.07 1.21 -1.33 0.00 0.00 177.39 177.39 1nxi n GLU 126 N -3.13 -1.20 -3.23 3.23 4.07 -1.26 -5.05 120.64 114.06 1nxi n GLU 126 Ca -0.07 1.33 -0.02 0.00 -0.06 0.00 0.00 57.16 58.35 1nxi n GLU 126 Cb 0.61 -3.88 -0.02 0.00 -0.06 0.00 0.00 31.44 28.10 1nxi n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1nxi s HIS 127 N -2.18 -1.48 -0.17 4.31 2.46 -1.26 -5.13 115.29 111.85 1nxi s HIS 127 Ca 0.11 0.14 -0.03 0.00 0.47 0.00 0.00 55.06 55.75 1nxi s HIS 127 Cb -0.03 0.18 -0.02 0.00 -0.13 0.00 0.00 32.58 32.58 1nxi s HIS 127 CO 0.43 -1.13 -0.07 -1.01 -2.47 0.00 0.00 174.74 170.50 1nxi s HIS 128 N 1.88 2.94 0.26 3.88 3.76 -1.26 -4.76 115.29 121.98 1nxi s HIS 128 Ca 0.15 -0.57 -0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1nxi s HIS 128 Cb -0.07 -1.97 0.05 0.00 1.11 0.00 0.00 32.58 31.71 1nxi s HIS 128 CO -0.09 -0.23 0.35 1.58 -0.85 0.00 0.00 174.74 175.50 1nxi n HIS 129 N 3.89 -3.26 -0.55 1.40 -0.00 -1.26 -5.05 115.22 110.38 1nxi n HIS 129 Ca -0.18 -0.60 -0.29 0.00 0.46 0.00 0.00 57.72 57.11 1nxi n HIS 129 Cb 0.52 -0.26 0.23 0.00 -0.12 0.00 0.00 29.99 30.36 1nxi n HIS 129 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1nxi n HIS 130 N -1.92 -0.66 0.00 1.57 -0.00 -1.26 -4.95 115.22 108.00 1nxi n HIS 130 Ca 0.06 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1nxi n HIS 130 Cb 0.20 -1.78 0.00 0.00 -0.12 0.00 0.00 29.99 28.29 1nxi n HIS 130 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1nxi n HIS 131 N -4.72 0.00 1.59 1.57 8.25 -1.26 -5.32 115.22 115.33 1nxi n HIS 131 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 1nxi n HIS 131 Cb 0.54 0.00 0.76 0.00 1.12 0.00 0.00 29.99 32.40 1nxi n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70