#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 0.71 -3.36 7.83 7.64 -1.26 -4.83 113.62 120.36 1nxi n SER 2 Ca 0.00 -1.16 -0.28 0.00 1.01 0.00 0.00 58.87 58.44 1nxi n SER 2 Cb 0.00 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 61.70 1nxi n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1nxi n HIS 3 N -4.21 3.65 -1.13 1.43 -0.00 -1.26 -5.07 115.22 108.63 1nxi n HIS 3 Ca -0.27 -4.00 -0.43 0.00 -0.00 0.00 0.00 57.72 53.02 1nxi n HIS 3 Cb 0.62 -0.60 -0.05 0.00 -0.00 0.00 0.00 29.99 29.96 1nxi n HIS 3 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1nxi n GLN 4 N 0.62 0.00 -2.54 -0.41 7.27 -1.26 -4.74 117.38 116.32 1nxi n GLN 4 Ca 0.30 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.96 1nxi n GLN 4 Cb 0.40 -1.06 -0.03 0.00 2.41 0.00 0.00 30.24 31.96 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nxi s ASP 5 N -0.17 6.17 -0.30 1.69 1.01 -1.26 -4.91 116.67 118.90 1nxi s ASP 5 Ca 0.65 -0.53 -0.06 0.00 0.71 0.00 0.00 52.55 53.31 1nxi s ASP 5 Cb -0.91 -2.56 0.16 0.00 1.01 0.00 0.00 42.92 40.61 1nxi s ASP 5 CO 0.43 -1.82 0.64 -0.62 0.21 0.00 0.00 175.17 174.01 1nxi s ASP 6 N 3.99 -1.24 -0.43 0.27 2.15 -1.26 -5.08 116.67 115.07 1nxi s ASP 6 Ca 0.37 1.26 0.07 0.00 0.43 0.00 0.00 52.55 54.68 1nxi s ASP 6 Cb -0.07 2.23 0.26 0.00 -0.30 0.00 0.00 42.92 45.04 1nxi s ASP 6 CO 0.13 -0.23 0.71 -1.22 -0.17 0.00 0.00 175.17 174.38 1nxi n TYR 7 N 5.43 -1.63 -1.39 -5.34 4.01 -1.26 -5.11 117.16 111.87 1nxi n TYR 7 Ca -0.07 -2.80 0.05 0.00 -0.16 0.00 0.00 57.90 54.92 1nxi n TYR 7 Cb 0.50 0.50 -0.03 0.00 -0.31 0.00 0.00 39.34 40.00 1nxi n TYR 7 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1nxi n LEU 8 N 1.36 -1.14 -3.44 7.72 4.77 -1.26 -4.75 117.00 120.26 1nxi n LEU 8 Ca 0.16 2.12 -0.27 0.00 -0.03 0.00 0.00 56.01 57.99 1nxi n LEU 8 Cb 0.59 -2.81 -0.08 0.00 -2.33 0.00 0.00 43.42 38.78 1nxi n LEU 8 CO 0.12 -1.01 0.04 -1.20 -1.33 0.00 0.00 177.39 174.01 1nxi n SER 9 N -3.05 3.39 0.23 -1.43 7.64 -1.26 -4.89 113.62 114.25 1nxi n SER 9 Ca -0.03 -3.36 0.02 0.00 1.01 0.00 0.00 58.87 56.52 1nxi n SER 9 Cb 0.44 -0.67 0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1nxi n SER 9 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1nxi h VAL 10 N 3.20 0.00 0.15 0.44 2.07 -2.02 0.40 116.25 120.49 1nxi h VAL 10 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1nxi h VAL 10 Cb 0.69 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1nxi h VAL 10 CO 0.80 0.00 -0.07 -0.08 0.02 0.00 0.00 177.57 178.23 1nxi h GLU 11 N 0.00 -0.20 -1.02 1.57 4.57 -2.00 -2.66 114.58 114.84 1nxi h GLU 11 Ca 0.00 0.01 0.25 0.00 -1.18 0.00 0.00 59.36 58.44 1nxi h GLU 11 Cb 1.44 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.97 1nxi h GLU 11 CO 0.00 0.23 0.64 1.05 -1.18 0.00 0.00 179.01 179.75 1nxi h GLU 12 N -0.77 0.48 -0.09 1.92 4.11 -0.62 0.12 114.58 119.72 1nxi h GLU 12 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1nxi h GLU 12 Cb 0.53 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nxi h GLU 12 CO 0.03 0.32 0.02 -0.07 0.07 0.00 0.00 179.01 179.38 1nxi h LEU 13 N 0.49 0.14 -0.63 3.06 3.38 -1.54 -2.18 115.31 118.04 1nxi h LEU 13 Ca 0.60 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1nxi h LEU 13 Cb 1.33 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1nxi h LEU 13 CO -0.34 0.35 0.39 0.40 0.09 0.00 0.00 178.44 179.33 1nxi h ILE 14 N -0.07 1.08 0.22 1.22 2.04 -0.49 -0.35 117.51 121.16 1nxi h ILE 14 Ca 0.03 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nxi h ILE 14 Cb 0.26 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1nxi h ILE 14 CO 0.00 0.14 -0.18 -0.08 0.00 0.00 0.00 178.15 178.04 1nxi h GLU 15 N 0.77 -0.37 -0.82 2.37 4.81 -0.92 -0.21 114.58 120.21 1nxi h GLU 15 Ca 0.26 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.71 1nxi h GLU 15 Cb 0.02 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 29.36 1nxi h GLU 15 CO -0.11 -0.25 0.21 0.82 -0.73 0.00 0.00 179.01 178.96 1nxi h ILE 16 N -0.38 0.41 -0.79 2.32 5.03 -1.31 0.35 117.51 123.14 1nxi h ILE 16 Ca -0.03 -0.09 0.10 0.00 -0.12 0.00 0.00 64.86 64.72 1nxi h ILE 16 Cb 0.32 0.14 -0.07 0.00 -3.03 0.00 0.00 36.82 34.18 1nxi h ILE 16 CO 0.00 0.05 0.43 -0.61 -0.68 0.00 0.00 178.15 177.34 1nxi h GLN 17 N 0.25 0.69 -0.70 2.37 -0.00 -0.63 -0.29 115.11 116.81 1nxi h GLN 17 Ca 0.49 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 59.08 1nxi h GLN 17 Cb 0.91 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 28.21 1nxi h GLN 17 CO -0.59 0.46 0.36 0.87 0.00 0.00 0.00 178.83 179.93 1nxi h LYS 18 N 0.71 0.98 0.92 1.69 1.57 0.15 -2.41 116.57 120.19 1nxi h LYS 18 Ca 0.39 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1nxi h LYS 18 Cb 0.39 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1nxi h LYS 18 CO -0.26 0.74 -0.44 1.49 -0.57 0.00 0.00 179.45 180.40 1nxi h GLU 19 N 0.98 -1.20 -1.12 3.15 4.81 -0.50 -1.07 114.58 119.64 1nxi h GLU 19 Ca 0.25 0.08 0.31 0.00 -0.13 0.00 0.00 59.36 59.87 1nxi h GLU 19 Cb 0.06 0.27 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 1nxi h GLU 19 CO -0.04 -0.80 0.75 1.49 -0.73 0.00 0.00 179.01 179.69 1nxi h GLU 20 N -1.33 0.22 0.53 1.92 4.57 -1.31 -0.84 114.58 118.33 1nxi h GLU 20 Ca -0.13 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 1nxi h GLU 20 Cb 0.95 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1nxi h GLU 20 CO 0.21 0.14 -0.25 1.15 -1.18 0.00 0.00 179.01 179.08 1nxi h THR 21 N 0.22 0.17 -0.88 0.32 2.02 -0.95 -2.20 112.91 111.62 1nxi h THR 21 Ca 0.61 -0.48 0.24 0.00 0.77 0.00 0.00 66.41 67.54 1nxi h THR 21 Cb 1.88 0.26 -0.15 0.00 -1.74 0.00 0.00 68.15 68.40 1nxi h THR 21 CO -0.21 0.03 0.20 0.03 0.37 0.00 0.00 175.52 175.95 1nxi h ARG 22 N -1.11 0.17 -0.29 6.66 2.47 0.12 0.28 114.38 122.68 1nxi h ARG 22 Ca -0.07 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1nxi h ARG 22 Cb 0.59 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1nxi h ARG 22 CO 0.12 0.11 0.13 -0.44 0.56 0.00 0.00 179.97 180.45 1nxi h ASP 23 N 0.17 0.38 0.41 7.04 3.32 -1.33 -1.57 116.42 124.84 1nxi h ASP 23 Ca 0.55 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1nxi h ASP 23 Cb 1.12 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1nxi h ASP 23 CO -0.69 0.41 -0.20 0.40 -1.72 0.00 0.00 179.24 177.45 1nxi h ILE 24 N 0.32 0.55 -0.84 0.35 2.04 0.05 -2.58 117.51 117.39 1nxi h ILE 24 Ca 0.10 -0.40 0.24 0.00 1.00 0.00 0.00 64.86 65.80 1nxi h ILE 24 Cb 0.14 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1nxi h ILE 24 CO -0.01 0.07 0.61 0.40 0.00 0.00 0.00 178.15 179.22 1nxi h ILE 25 N -0.80 0.57 0.70 -0.67 1.08 -0.62 -1.84 117.51 115.92 1nxi h ILE 25 Ca -0.06 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1nxi h ILE 25 Cb 0.54 0.57 0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1nxi h ILE 25 CO 0.09 0.00 -0.34 1.56 -0.69 0.00 0.00 178.15 178.78 1nxi h GLN 26 N 0.00 -0.91 -0.72 2.37 1.08 -0.90 -0.39 115.11 115.65 1nxi h GLN 26 Ca 0.40 0.06 0.16 0.00 -1.45 0.00 0.00 58.65 57.82 1nxi h GLN 26 Cb 1.62 0.21 -0.12 0.00 -0.05 0.00 0.00 27.48 29.14 1nxi h GLN 26 CO -0.00 -0.60 0.08 0.00 -0.95 0.00 0.00 178.83 177.35 1nxi h ALA 27 N -1.25 0.82 0.07 3.87 0.00 -1.06 0.16 119.26 121.87 1nxi h ALA 27 Ca -0.10 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nxi h ALA 27 Cb 0.72 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1nxi h ALA 27 CO 0.16 -0.39 -0.03 -0.07 0.00 0.00 0.00 179.25 178.92 1nxi h LEU 28 N 0.17 -0.08 -1.21 0.00 3.38 -1.42 -2.47 115.31 113.68 1nxi h LEU 28 Ca 0.40 0.00 0.43 0.00 0.09 0.00 0.00 57.88 58.80 1nxi h LEU 28 Cb 0.68 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.30 1nxi h LEU 28 CO -0.57 -0.05 0.72 0.25 0.09 0.00 0.00 178.44 178.88 1nxi h LEU 29 N -0.11 0.29 0.13 1.67 7.12 -0.83 0.60 115.31 124.18 1nxi h LEU 29 Ca -0.01 0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1nxi h LEU 29 Cb 0.07 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1nxi h LEU 29 CO 0.02 -0.29 -0.11 -0.08 -0.13 0.00 0.00 178.44 177.85 1nxi h GLU 30 N 0.07 -0.24 -0.52 1.25 4.57 -0.52 -1.14 114.58 118.05 1nxi h GLU 30 Ca 0.84 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 59.18 1nxi h GLU 30 Cb 2.42 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 31.04 1nxi h GLU 30 CO -0.58 -0.16 0.39 -0.44 -1.18 0.00 0.00 179.01 177.04 1nxi h ASP 31 N -0.25 0.00 0.00 1.04 3.32 0.67 -3.44 116.42 117.76 1nxi h ASP 31 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nxi h ASP 31 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1nxi h ASP 31 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 1nxi n GLY 32 N -1.63 1.48 3.51 2.75 0.00 -0.43 -5.08 105.19 105.80 1nxi n GLY 32 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nxi n SER 33 N 0.00 0.09 -4.72 1.61 2.88 -1.21 -4.96 113.62 107.31 1nxi n SER 33 Ca 0.00 1.04 -0.32 0.00 -1.33 0.00 0.00 58.87 58.26 1nxi n SER 33 Cb 0.00 -1.19 -0.08 0.00 -0.75 0.00 0.00 64.21 62.19 1nxi n SER 33 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1nxi s ASP 34 N -0.80 5.30 0.49 -3.46 1.01 -1.26 -4.80 116.67 113.15 1nxi s ASP 34 Ca 0.62 0.01 0.32 0.00 0.71 0.00 0.00 52.55 54.21 1nxi s ASP 34 Cb -0.66 -1.41 1.31 0.00 1.01 0.00 0.00 42.92 43.16 1nxi s ASP 34 CO 0.58 0.25 1.94 1.55 0.21 0.00 0.00 175.17 179.70 1nxi h PRO 35 N 4.05 0.00 -0.25 8.23 0.13 -1.92 -2.59 132.00 139.66 1nxi h PRO 35 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1nxi h PRO 35 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nxi h PRO 35 CO 0.60 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 1nxi n ASP 36 N -2.92 1.57 0.01 1.44 8.00 -1.26 -3.61 116.55 119.78 1nxi n ASP 36 Ca 0.01 -1.87 0.12 0.00 0.71 0.00 0.00 54.79 53.76 1nxi n ASP 36 Cb 0.29 -0.16 0.22 0.00 -0.02 0.00 0.00 41.12 41.45 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nxi n ALA 37 N 0.31 3.54 -1.33 2.24 0.00 -0.97 -5.06 120.51 119.24 1nxi n ALA 37 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1nxi n ALA 37 Cb 0.27 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.56 -2.33 -4.07 0.00 7.94 -1.24 -5.02 117.00 110.71 1nxi n LEU 38 Ca 0.05 2.54 -0.16 0.00 -1.11 0.00 0.00 56.01 57.33 1nxi n LEU 38 Cb 0.35 -2.30 -0.13 0.00 0.53 0.00 0.00 43.42 41.87 1nxi n LEU 38 CO 0.36 0.30 -0.43 -0.31 -1.11 0.00 0.00 177.39 176.19 1nxi s TYR 39 N -3.06 0.86 -0.25 1.96 2.02 0.08 -4.94 117.35 114.02 1nxi s TYR 39 Ca 0.00 -0.35 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 1nxi s TYR 39 Cb 0.00 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 1nxi s TYR 39 CO 0.00 -0.02 0.11 -1.21 -1.57 0.00 0.00 175.55 172.87 1nxi s GLU 40 N -1.10 3.83 -0.17 -0.62 2.02 -1.26 -0.73 118.70 120.67 1nxi s GLU 40 Ca -0.03 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 54.38 1nxi s GLU 40 Cb -0.07 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1nxi s GLU 40 CO 0.01 -0.09 0.53 0.42 0.02 0.00 0.00 175.26 176.15 1nxi s ILE 41 N 1.41 5.12 -0.29 -1.63 -1.09 -1.00 -3.53 121.20 120.19 1nxi s ILE 41 Ca 0.06 1.00 -0.08 0.00 -2.23 0.00 0.00 60.65 59.40 1nxi s ILE 41 Cb -0.15 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 1nxi s ILE 41 CO 0.05 0.21 0.10 -0.70 -1.23 0.00 0.00 174.94 173.38 1nxi s GLU 42 N 1.34 3.35 -0.09 2.79 2.56 0.06 -1.87 118.70 126.84 1nxi s GLU 42 Ca 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 54.97 54.53 1nxi s GLU 42 Cb -0.15 -3.43 -0.03 0.00 2.00 0.00 0.00 34.13 32.52 1nxi s GLU 42 CO 0.10 -0.36 -0.07 -1.01 -0.56 0.00 0.00 175.26 173.36 1nxi s HIS 43 N 1.58 2.93 -0.09 5.30 3.76 0.59 -1.59 115.29 127.77 1nxi s HIS 43 Ca 0.04 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1nxi s HIS 43 Cb -0.16 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 1nxi s HIS 43 CO 0.04 0.22 -0.09 -1.01 -0.85 0.00 0.00 174.74 173.04 1nxi s HIS 44 N -0.50 2.87 0.00 1.40 3.76 -0.51 -1.22 115.29 121.10 1nxi s HIS 44 Ca 0.07 -0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 54.75 1nxi s HIS 44 Cb -0.12 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 1nxi s HIS 44 CO 0.02 0.11 0.00 -0.51 -0.85 0.00 0.00 174.74 173.51 1nxi s LEU 45 N -0.32 2.04 0.12 0.89 1.02 -1.03 -4.18 118.68 117.23 1nxi s LEU 45 Ca 0.04 -0.20 0.06 0.00 0.02 0.00 0.00 54.13 54.05 1nxi s LEU 45 Cb -0.13 0.10 -0.04 0.00 0.02 0.00 0.00 46.19 46.15 1nxi s LEU 45 CO 0.02 -0.14 -0.14 0.72 0.02 0.00 0.00 176.35 176.83 1nxi s PHE 46 N -0.66 1.36 0.26 0.29 -0.71 -1.25 -1.73 117.98 115.54 1nxi s PHE 46 Ca -0.07 -0.55 0.01 0.00 -1.04 0.00 0.00 56.93 55.28 1nxi s PHE 46 Cb -0.05 -0.72 -0.05 0.00 -1.21 0.00 0.00 43.02 41.00 1nxi s PHE 46 CO -0.00 0.13 0.12 0.00 -1.34 0.00 0.00 175.22 174.12 1nxi s ALA 47 N -2.09 1.72 -0.44 1.99 0.00 -0.90 -3.49 121.76 118.55 1nxi s ALA 47 Ca 0.08 -1.81 0.12 0.00 0.00 0.00 0.00 51.96 50.35 1nxi s ALA 47 Cb -0.05 1.12 -0.15 0.00 0.00 0.00 0.00 23.12 24.04 1nxi s ALA 47 CO 0.03 -0.49 0.46 0.39 0.00 0.00 0.00 175.76 176.15 1nxi n GLU 48 N -0.47 2.41 -4.01 0.00 4.71 -1.26 -3.39 120.64 118.63 1nxi n GLU 48 Ca 0.01 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.16 56.93 1nxi n GLU 48 Cb 0.66 -1.12 -0.17 0.00 -1.01 0.00 0.00 31.44 29.80 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 -2.44 0.93 0.51 1.62 1.01 -1.26 -4.96 116.67 112.08 1nxi s ASP 49 Ca 0.02 -0.09 0.32 0.00 0.71 0.00 0.00 52.55 53.52 1nxi s ASP 49 Cb 0.09 -0.38 1.77 0.00 1.01 0.00 0.00 42.92 45.41 1nxi s ASP 49 CO 0.50 -0.10 1.99 2.19 0.21 0.00 0.00 175.17 179.96 1nxi h PHE 50 N 7.45 0.00 0.11 4.23 -5.15 -1.98 -2.18 116.94 119.41 1nxi h PHE 50 Ca -0.35 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.41 1nxi h PHE 50 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.31 1nxi h PHE 50 CO 0.50 0.00 -0.05 0.22 -2.00 0.00 0.00 178.31 176.97 1nxi h ASP 51 N 0.00 -0.13 0.05 -0.68 1.82 -2.00 -1.18 116.42 114.31 1nxi h ASP 51 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1nxi h ASP 51 Cb 0.11 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 1nxi h ASP 51 CO 0.00 -0.08 -0.03 0.07 -1.61 0.00 0.00 179.24 177.59 1nxi h LYS 52 N -0.18 0.00 0.62 0.28 2.10 -1.95 -2.50 116.57 114.94 1nxi h LYS 52 Ca -0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 1nxi h LYS 52 Cb 0.11 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1nxi h LYS 52 CO 0.03 0.03 -0.30 1.25 -2.00 0.00 0.00 179.45 178.46 1nxi h LEU 53 N 0.00 -0.70 -0.79 7.07 6.46 -1.30 0.98 115.31 127.03 1nxi h LEU 53 Ca -0.00 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1nxi h LEU 53 Cb 0.07 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1nxi h LEU 53 CO 0.00 -0.45 0.49 -0.08 -0.62 0.00 0.00 178.44 177.78 1nxi h GLU 54 N -0.90 0.90 0.90 1.25 4.81 -0.89 0.15 114.58 120.80 1nxi h GLU 54 Ca -0.08 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1nxi h GLU 54 Cb 0.66 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1nxi h GLU 54 CO 0.14 0.60 -0.43 0.87 -0.73 0.00 0.00 179.01 179.45 1nxi h LYS 55 N 0.93 -1.17 0.25 1.92 1.57 -1.25 -0.70 116.57 118.12 1nxi h LYS 55 Ca 0.33 0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1nxi h LYS 55 Cb 0.09 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1nxi h LYS 55 CO -0.14 -0.78 -0.40 0.00 -0.57 0.00 0.00 179.45 177.56 1nxi h ALA 56 N -1.42 -0.79 -0.34 3.86 0.00 -0.62 -2.59 119.26 117.35 1nxi h ALA 56 Ca -0.12 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1nxi h ALA 56 Cb 0.93 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 1nxi h ALA 56 CO 0.20 -1.00 -0.41 0.00 0.00 0.00 0.00 179.25 178.04 1nxi h ALA 57 N -0.28 -0.63 -0.93 0.00 0.00 -0.70 0.44 119.26 117.16 1nxi h ALA 57 Ca -0.00 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1nxi h ALA 57 Cb 0.69 1.04 -0.17 0.00 0.00 0.00 0.00 17.79 19.36 1nxi h ALA 57 CO -0.16 -0.84 -0.28 0.28 0.00 0.00 0.00 179.25 178.25 1nxi n VAL 58 N -4.66 -0.43 0.22 0.00 0.31 -0.27 -0.15 118.33 113.35 1nxi n VAL 58 Ca -0.02 2.15 -0.16 0.00 -0.01 0.00 0.00 64.34 66.30 1nxi n VAL 58 Cb 0.24 -2.92 -0.08 0.00 -0.91 0.00 0.00 33.84 30.17 1nxi n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1nxi h GLU 59 N 0.00 -0.74 -1.00 5.55 3.07 -0.56 -1.85 114.58 119.04 1nxi h GLU 59 Ca 0.40 0.05 0.26 0.00 -0.50 0.00 0.00 59.36 59.58 1nxi h GLU 59 Cb 0.63 0.17 -0.19 0.00 -0.84 0.00 0.00 28.75 28.53 1nxi h GLU 59 CO -0.95 -0.50 -0.02 0.00 -1.40 0.00 0.00 179.01 176.15 1nxi h ALA 60 N -0.36 1.10 -0.76 3.43 0.00 0.41 1.29 119.26 124.37 1nxi h ALA 60 Ca -0.02 0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1nxi h ALA 60 Cb 0.70 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1nxi h ALA 60 CO -0.09 -0.55 0.30 0.35 0.00 0.00 0.00 179.25 179.26 1nxi h PHE 61 N 0.00 1.18 -0.87 0.00 3.04 -0.83 0.16 116.94 119.62 1nxi h PHE 61 Ca 0.59 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.45 1nxi h PHE 61 Cb 1.17 -0.35 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 1nxi h PHE 61 CO -0.55 0.90 0.56 0.87 -2.02 0.00 0.00 178.31 178.07 1nxi h LYS 62 N 1.11 1.17 -0.06 1.11 1.79 0.24 -2.85 116.57 119.08 1nxi h LYS 62 Ca 0.25 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1nxi h LYS 62 Cb 0.23 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1nxi h LYS 62 CO -0.02 0.79 -0.04 0.52 -1.08 0.00 0.00 179.45 179.62 1nxi h MET 63 N 1.19 0.13 0.00 3.15 2.86 -0.74 -3.47 114.93 118.05 1nxi h MET 63 Ca 0.32 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1nxi h MET 63 Cb -0.10 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1nxi h MET 63 CO -0.07 0.55 0.00 0.41 1.06 0.00 0.00 176.91 178.86 1nxi n GLY 64 N 0.13 0.00 3.37 8.32 0.00 -0.41 -5.12 105.19 111.48 1nxi n GLY 64 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.06 -0.99 1.61 0.08 0.45 -4.57 117.98 117.62 1nxi s PHE 65 Ca 0.00 -0.75 -0.24 0.00 0.12 0.00 0.00 56.93 56.06 1nxi s PHE 65 Cb 0.00 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.19 1nxi s PHE 65 CO 0.00 -0.48 1.96 -2.00 -0.10 0.00 0.00 175.22 174.59 1nxi s GLU 66 N 1.54 2.49 0.22 0.44 2.12 0.29 -3.66 118.70 122.14 1nxi s GLU 66 Ca 0.05 -0.55 -0.31 0.00 0.36 0.00 0.00 54.97 54.52 1nxi s GLU 66 Cb -0.15 -5.11 -0.11 0.00 0.26 0.00 0.00 34.13 29.02 1nxi s GLU 66 CO 0.01 -3.64 1.59 0.54 -0.54 0.00 0.00 175.26 173.22 1nxi s VAL 67 N 10.62 2.35 0.09 3.70 0.11 -1.26 -1.90 120.40 134.12 1nxi s VAL 67 Ca 0.70 0.27 0.05 0.00 -2.93 0.00 0.00 61.98 60.07 1nxi s VAL 67 Cb -0.05 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 1nxi s VAL 67 CO 0.04 0.03 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.61 1nxi s LEU 68 N 0.45 3.39 0.68 2.54 0.20 0.15 -4.91 118.68 121.17 1nxi s LEU 68 Ca 0.67 -0.22 -0.17 0.00 0.69 0.00 0.00 54.13 55.11 1nxi s LEU 68 Cb -0.46 -2.13 -0.07 0.00 -0.43 0.00 0.00 46.19 43.10 1nxi s LEU 68 CO 0.38 0.17 0.39 1.21 -0.29 0.00 0.00 176.35 178.21 1nxi n GLU 69 N 0.57 0.30 -3.32 1.98 2.13 -1.26 -2.45 120.64 118.59 1nxi n GLU 69 Ca -0.11 0.13 -0.18 0.00 0.66 0.00 0.00 57.16 57.66 1nxi n GLU 69 Cb 0.52 -1.67 -0.00 0.00 0.27 0.00 0.00 31.44 30.56 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nxi s ALA 70 N -1.88 4.31 -0.16 4.31 0.00 -1.26 -4.19 121.76 122.89 1nxi s ALA 70 Ca 0.64 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1nxi s ALA 70 Cb -0.38 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.25 1nxi s ALA 70 CO 0.59 -0.15 0.05 -2.00 0.00 0.00 0.00 175.76 174.25 1nxi s GLU 71 N -4.23 0.46 -0.85 0.00 2.12 -1.16 -4.88 118.70 110.16 1nxi s GLU 71 Ca 0.49 -0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.33 1nxi s GLU 71 Cb -0.09 -1.77 -0.19 0.00 0.26 0.00 0.00 34.13 32.34 1nxi s GLU 71 CO 0.31 -0.58 2.35 -0.85 -0.54 0.00 0.00 175.26 175.96 1nxi n GLU 72 N 5.14 0.00 0.00 4.30 0.00 -1.26 -4.39 120.64 124.42 1nxi n GLU 72 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1nxi n GLU 72 Cb 0.48 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 30.59 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1nxi n THR 73 N 6.57 0.00 -3.73 3.84 5.66 -1.22 -4.99 114.28 120.42 1nxi n THR 73 Ca 0.58 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.45 1nxi n THR 73 Cb 0.02 -0.58 -0.11 0.00 -1.55 0.00 0.00 70.33 68.11 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 3.17 0.42 0.00 1.09 -1.05 -1.26 -4.15 118.70 116.92 1nxi s GLU 74 Ca 0.00 0.60 -0.02 0.00 -0.15 0.00 0.00 54.97 55.39 1nxi s GLU 74 Cb 0.00 0.14 -0.11 0.00 -0.44 0.00 0.00 34.13 33.72 1nxi s GLU 74 CO 0.00 -0.09 1.79 -3.47 0.95 0.00 0.00 175.26 174.44 1nxi n ASP 75 N 3.31 2.40 -1.16 0.83 -0.08 -1.26 -4.54 116.55 116.06 1nxi n ASP 75 Ca -0.16 -1.91 0.00 0.00 -1.51 0.00 0.00 54.79 51.21 1nxi n ASP 75 Cb 0.57 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.39 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1nxi n GLU 76 N 2.63 -1.24 0.00 -0.67 1.02 -1.26 -4.35 120.64 116.77 1nxi n GLU 76 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1nxi n GLU 76 Cb 0.39 -3.81 0.00 0.00 -0.02 0.00 0.00 31.44 28.00 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 0.57 2.40 0.00 1.62 2.03 -1.26 -5.04 116.55 116.87 1nxi n ASP 77 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nxi n ASP 77 Cb 0.07 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nxi n GLY 78 N 1.87 0.97 0.00 0.27 0.00 -1.26 -5.15 105.19 101.88 1nxi n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.52 -3.18 1.61 3.02 -1.26 -4.97 115.26 111.01 1nxi n ASN 79 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1nxi n ASN 79 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1nxi n ASN 79 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1nxi s LYS 80 N 2.53 0.67 0.03 3.52 -2.85 -1.26 -4.59 119.74 117.79 1nxi s LYS 80 Ca 0.00 0.19 0.06 0.00 -1.00 0.00 0.00 55.97 55.22 1nxi s LYS 80 Cb 0.00 0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 1nxi s LYS 80 CO 0.00 -1.11 -0.17 -0.51 0.10 0.00 0.00 175.35 173.65 1nxi s LEU 81 N 2.39 2.15 0.09 2.77 1.02 -1.26 -5.01 118.68 120.84 1nxi s LEU 81 Ca 0.13 -0.46 -0.30 0.00 0.02 0.00 0.00 54.13 53.51 1nxi s LEU 81 Cb -0.07 -0.80 -0.06 0.00 0.02 0.00 0.00 46.19 45.28 1nxi s LEU 81 CO -0.18 0.11 1.06 -0.76 0.02 0.00 0.00 176.35 176.61 1nxi s LEU 82 N -1.05 4.44 -0.27 1.79 1.43 -1.22 -3.40 118.68 120.40 1nxi s LEU 82 Ca 0.05 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 1nxi s LEU 82 Cb -0.08 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1nxi s LEU 82 CO 0.01 -0.24 -0.03 0.00 0.23 0.00 0.00 176.35 176.32 1nxi s PHE 84 N 1.24 3.37 0.44 0.00 -0.71 -0.71 -2.98 117.98 118.62 1nxi s PHE 84 Ca -0.01 -0.02 0.07 0.00 -1.04 0.00 0.00 56.93 55.93 1nxi s PHE 84 Cb -0.19 -1.73 -0.02 0.00 -1.21 0.00 0.00 43.02 39.87 1nxi s PHE 84 CO -0.08 0.27 0.33 -0.51 -1.34 0.00 0.00 175.22 173.89 1nxi s ASP 85 N -4.04 4.81 -0.23 1.98 1.11 -1.03 -2.46 116.67 116.81 1nxi s ASP 85 Ca 0.38 -0.92 -0.11 0.00 0.18 0.00 0.00 52.55 52.08 1nxi s ASP 85 Cb -0.09 -0.38 0.08 0.00 1.07 0.00 0.00 42.92 43.61 1nxi s ASP 85 CO 0.31 -0.70 0.53 0.00 1.18 0.00 0.00 175.17 176.48 1nxi s ALA 86 N -2.56 -1.47 0.11 5.23 0.00 -0.36 0.30 121.76 123.02 1nxi s ALA 86 Ca 0.44 1.91 0.08 0.00 0.00 0.00 0.00 51.96 54.38 1nxi s ALA 86 Cb -0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1nxi s ALA 86 CO 0.25 -0.53 -0.14 0.99 0.00 0.00 0.00 175.76 176.33 1nxi s THR 87 N 2.03 3.13 -0.25 0.00 2.01 -0.80 -0.30 115.64 121.46 1nxi s THR 87 Ca -0.07 -1.37 -0.03 0.00 0.31 0.00 0.00 61.69 60.53 1nxi s THR 87 Cb -0.09 -2.45 0.14 0.00 0.01 0.00 0.00 72.50 70.11 1nxi s THR 87 CO -0.16 0.11 0.41 -0.32 -0.69 0.00 0.00 174.62 173.98 1nxi s MET 88 N -2.16 0.38 0.48 4.92 1.75 -0.78 0.11 119.30 124.00 1nxi s MET 88 Ca 0.20 0.65 -0.24 0.00 -1.25 0.00 0.00 55.69 55.05 1nxi s MET 88 Cb -0.11 -0.26 -0.07 0.00 2.84 0.00 0.00 34.83 37.23 1nxi s MET 88 CO 0.12 -0.60 1.32 1.04 -0.65 0.00 0.00 175.02 176.25 1nxi n GLN 89 N 5.38 1.86 -3.78 4.11 1.13 -1.26 -2.37 117.38 122.44 1nxi n GLN 89 Ca -0.04 0.67 -0.04 0.00 -1.94 0.00 0.00 57.00 55.65 1nxi n GLN 89 Cb 0.50 -2.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.34 1nxi n GLN 89 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1nxi s SER 90 N -0.70 -0.18 -0.25 1.08 1.04 0.10 -4.89 113.70 109.91 1nxi s SER 90 Ca 0.66 -0.47 -0.09 0.00 0.48 0.00 0.00 55.95 56.52 1nxi s SER 90 Cb -0.46 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1nxi s SER 90 CO 0.54 -1.00 0.13 0.00 0.98 0.00 0.00 173.24 173.90 1nxi s ALA 91 N -3.31 3.42 -0.71 5.32 0.00 -1.26 -0.74 121.76 124.47 1nxi s ALA 91 Ca 0.13 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 50.79 1nxi s ALA 91 Cb -0.02 -2.26 -0.17 0.00 0.00 0.00 0.00 23.12 20.66 1nxi s ALA 91 CO 0.03 -0.38 2.08 -0.11 0.00 0.00 0.00 175.76 177.38 1nxi n LEU 92 N 4.69 0.32 -3.17 0.00 7.94 -1.26 -4.78 117.00 120.74 1nxi n LEU 92 Ca -0.15 0.24 0.03 0.00 -1.11 0.00 0.00 56.01 55.02 1nxi n LEU 92 Cb 0.52 -0.74 -0.00 0.00 0.53 0.00 0.00 43.42 43.72 1nxi n LEU 92 CO 0.33 -0.59 0.09 -1.81 -1.11 0.00 0.00 177.39 174.30 1nxi s ASP 93 N 6.70 -1.55 0.27 1.96 1.01 -1.26 -4.94 116.67 118.86 1nxi s ASP 93 Ca 1.07 -0.10 0.01 0.00 0.71 0.00 0.00 52.55 54.24 1nxi s ASP 93 Cb -1.07 1.99 0.63 0.00 1.01 0.00 0.00 42.92 45.48 1nxi s ASP 93 CO 0.43 -0.27 1.36 0.00 0.21 0.00 0.00 175.17 176.90 1nxi n ALA 94 N 5.14 0.41 0.03 5.23 0.00 -1.26 0.92 120.51 130.99 1nxi n ALA 94 Ca 0.07 0.93 -0.11 0.00 0.00 0.00 0.00 53.44 54.32 1nxi n ALA 94 Cb 0.55 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1nxi n ALA 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nxi h LYS 95 N 0.00 -0.41 0.65 0.00 1.57 -1.96 0.13 116.57 116.56 1nxi h LYS 95 Ca 0.51 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.29 1nxi h LYS 95 Cb 1.03 0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.44 1nxi h LYS 95 CO -0.82 -0.27 -0.31 1.25 -0.57 0.00 0.00 179.45 178.72 1nxi h LEU 96 N -0.43 -0.74 -1.11 2.94 5.85 0.20 -2.45 115.31 119.58 1nxi h LEU 96 Ca 0.08 0.03 0.42 0.00 0.84 0.00 0.00 57.88 59.24 1nxi h LEU 96 Cb 0.54 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.61 1nxi h LEU 96 CO -0.30 -0.43 0.66 -0.38 -0.34 0.00 0.00 178.44 177.65 1nxi n ILE 97 N -4.90 -0.32 -0.16 4.05 5.41 0.40 0.26 119.36 124.10 1nxi n ILE 97 Ca -0.11 1.80 -0.11 0.00 1.00 0.00 0.00 62.75 65.34 1nxi n ILE 97 Cb 0.35 -2.94 -0.00 0.00 -0.71 0.00 0.00 39.64 36.33 1nxi n ILE 97 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1nxi h ASP 98 N 0.00 0.90 -0.64 4.38 3.32 -0.43 -1.78 116.42 122.17 1nxi h ASP 98 Ca 0.81 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 1nxi h ASP 98 Cb 2.37 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 41.65 1nxi h ASP 98 CO -0.59 1.05 0.36 -0.33 -1.72 0.00 0.00 179.24 178.01 1nxi h GLU 99 N 0.74 0.89 -0.47 3.56 4.39 0.40 0.95 114.58 125.04 1nxi h GLU 99 Ca 0.12 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1nxi h GLU 99 Cb 0.65 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1nxi h GLU 99 CO 0.04 0.66 0.19 1.96 -1.16 0.00 0.00 179.01 180.70 1nxi h GLN 100 N 0.87 0.71 0.53 2.33 4.20 -1.12 -2.71 115.11 119.91 1nxi h GLN 100 Ca 0.23 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1nxi h GLN 100 Cb 0.02 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1nxi h GLN 100 CO -0.04 0.64 -0.25 0.28 -0.67 0.00 0.00 178.83 178.79 1nxi h VAL 101 N 0.62 0.00 -0.79 -0.54 2.07 -0.91 -2.57 116.25 114.14 1nxi h VAL 101 Ca 0.16 -0.17 0.20 0.00 0.82 0.00 0.00 66.70 67.71 1nxi h VAL 101 Cb 0.20 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.82 1nxi h VAL 101 CO -0.01 0.00 -0.05 1.21 0.02 0.00 0.00 177.57 178.74 1nxi n GLU 102 N -4.38 -0.07 -0.26 1.57 2.13 0.29 0.27 120.64 120.20 1nxi n GLU 102 Ca -0.09 1.19 -0.05 0.00 0.66 0.00 0.00 57.16 58.88 1nxi n GLU 102 Cb 0.28 -1.86 0.06 0.00 0.27 0.00 0.00 31.44 30.18 1nxi n GLU 102 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1nxi h LYS 103 N 0.00 0.96 0.00 5.31 1.57 -1.37 -0.38 116.57 122.65 1nxi h LYS 103 Ca 0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1nxi h LYS 103 Cb 0.87 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1nxi h LYS 103 CO -0.76 0.65 0.00 -0.07 -0.57 0.00 0.00 179.45 178.70 1nxi h LEU 104 N 0.98 0.00 0.00 2.94 3.38 0.42 -2.06 115.31 120.97 1nxi h LEU 104 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1nxi h LEU 104 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1nxi h LEU 104 CO -0.05 0.00 -0.30 0.58 0.09 0.00 0.00 178.44 178.75 1nxi h VAL 105 N 0.00 1.42 -0.42 1.22 2.07 0.87 -2.32 116.25 119.09 1nxi h VAL 105 Ca 0.00 -2.18 -0.06 0.00 0.82 0.00 0.00 66.70 65.27 1nxi h VAL 105 Cb 0.50 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1nxi h VAL 105 CO 0.00 0.48 0.01 0.78 0.02 0.00 0.00 177.57 178.86 1nxi h ASN 106 N -1.00 0.72 0.03 0.57 2.35 -1.21 -2.37 115.58 114.67 1nxi h ASN 106 Ca -0.08 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1nxi h ASN 106 Cb 0.99 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1nxi h ASN 106 CO -0.05 0.84 -0.02 0.25 -1.65 0.00 0.00 177.43 176.81 1nxi h LEU 107 N 0.58 -0.04 -0.34 1.61 6.46 -1.53 -0.33 115.31 121.72 1nxi h LEU 107 Ca 0.12 -0.34 0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1nxi h LEU 107 Cb 0.47 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.32 1nxi h LEU 107 CO 0.02 0.32 -0.26 0.00 -0.62 0.00 0.00 178.44 177.90 1nxi h ALA 108 N 0.55 -0.08 0.00 1.25 0.00 -1.40 0.40 119.26 119.97 1nxi h ALA 108 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nxi h ALA 108 Cb 0.37 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nxi h ALA 108 CO 0.01 -0.66 0.00 0.93 0.00 0.00 0.00 179.25 179.53 1nxi h GLU 109 N -0.22 0.00 -0.12 0.00 4.39 -1.41 -2.55 114.58 114.66 1nxi h GLU 109 Ca 0.17 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 1nxi h GLU 109 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1nxi h GLU 109 CO -0.47 0.00 -0.35 -0.22 -1.16 0.00 0.00 179.01 176.81 1nxi h LYS 110 N 0.00 0.25 0.00 2.33 3.64 0.16 -3.39 116.57 119.57 1nxi h LYS 110 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1nxi h LYS 110 Cb 0.45 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1nxi h LYS 110 CO 0.00 0.58 0.00 1.19 -2.27 0.00 0.00 179.45 178.95 1nxi n PHE 111 N -4.08 0.00 0.00 1.91 3.72 -0.88 -5.04 117.46 113.10 1nxi n PHE 111 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1nxi n PHE 111 Cb 0.44 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 -1.68 0.00 -4.78 4.37 9.92 -1.00 -5.09 116.55 118.29 1nxi n ASP 112 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1nxi n ASP 112 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 1.92 -0.08 0.53 -4.36 -1.02 -4.68 121.20 113.51 1nxi s ILE 113 Ca 0.00 -1.71 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 1nxi s ILE 113 Cb 0.00 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1nxi s ILE 113 CO 0.00 0.00 -0.19 -0.51 0.24 0.00 0.00 174.94 174.48 1nxi s ILE 114 N -2.70 1.65 -0.65 8.37 2.07 -1.23 -4.20 121.20 124.52 1nxi s ILE 114 Ca 0.32 -0.80 -0.13 0.00 -1.41 0.00 0.00 60.65 58.64 1nxi s ILE 114 Cb 0.02 -1.44 0.16 0.00 0.13 0.00 0.00 42.46 41.33 1nxi s ILE 114 CO 0.18 0.47 0.58 -0.47 -1.91 0.00 0.00 174.94 173.79 1nxi s TYR 115 N 0.36 3.48 -0.42 3.50 5.04 -1.26 -3.95 117.35 124.11 1nxi s TYR 115 Ca -0.14 -1.75 0.04 0.00 -2.44 0.00 0.00 57.07 52.79 1nxi s TYR 115 Cb -0.16 -3.72 0.17 0.00 0.35 0.00 0.00 41.96 38.60 1nxi s TYR 115 CO 0.06 -0.99 0.37 0.34 -1.34 0.00 0.00 175.55 173.99 1nxi s ASP 116 N 2.71 1.17 0.00 4.32 -1.08 -1.26 -4.99 116.67 117.54 1nxi s ASP 116 Ca 0.10 -2.89 0.00 0.00 -0.52 0.00 0.00 52.55 49.24 1nxi s ASP 116 Cb -0.21 -0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.06 1nxi s ASP 116 CO -0.03 -0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.11 1nxi n GLY 117 N 2.91 -1.63 3.49 2.66 0.00 -1.26 -4.97 105.19 106.39 1nxi n GLY 117 Ca 0.28 0.71 -0.29 0.00 0.00 0.00 0.00 46.02 46.72 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 0.23 1.61 1.48 -1.26 -1.42 118.94 122.09 1nxi s TRP 118 Ca 0.00 -0.27 -0.22 0.00 -1.06 0.00 0.00 56.10 54.55 1nxi s TRP 118 Cb 0.00 -1.32 0.04 0.00 -1.16 0.00 0.00 33.47 31.02 1nxi s TRP 118 CO 0.00 0.40 0.73 0.20 -4.06 0.00 0.00 176.95 174.23 1nxi s GLY 119 N -2.23 -0.22 0.30 3.67 0.00 -0.62 -5.02 107.32 103.20 1nxi s GLY 119 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.90 1nxi s GLY 119 CO 0.10 -0.01 0.01 -1.08 0.00 0.00 0.00 173.10 172.12 1nxi s THR 120 N -3.78 1.35 -0.59 0.90 -1.32 -1.26 -0.76 115.64 110.18 1nxi s THR 120 Ca 0.09 -2.04 -0.24 0.00 -1.21 0.00 0.00 61.69 58.29 1nxi s THR 120 Cb -0.04 -2.63 0.05 0.00 -1.51 0.00 0.00 72.50 68.37 1nxi s THR 120 CO 0.02 -0.14 0.95 -0.47 -2.21 0.00 0.00 174.62 172.76 1nxi s TYR 121 N -3.20 2.75 0.56 9.09 6.14 -1.23 -4.97 117.35 126.49 1nxi s TYR 121 Ca 0.33 -0.20 -0.21 0.00 0.64 0.00 0.00 57.07 57.64 1nxi s TYR 121 Cb 0.07 -4.13 -0.04 0.00 0.42 0.00 0.00 41.96 38.27 1nxi s TYR 121 CO 0.13 -1.45 1.28 -0.47 0.64 0.00 0.00 175.55 175.68 1nxi s TYR 122 N 3.99 2.37 -1.05 4.97 6.14 -1.26 -4.89 117.35 127.62 1nxi s TYR 122 Ca 0.27 1.45 -0.11 0.00 0.64 0.00 0.00 57.07 59.33 1nxi s TYR 122 Cb -0.14 -3.63 0.25 0.00 0.42 0.00 0.00 41.96 38.86 1nxi s TYR 122 CO 0.16 -2.51 1.06 -2.00 0.64 0.00 0.00 175.55 172.90 1nxi s GLU 123 N -3.06 4.05 0.00 4.97 2.12 -1.26 -4.85 118.70 120.66 1nxi s GLU 123 Ca 0.74 -2.97 0.00 0.00 0.36 0.00 0.00 54.97 53.10 1nxi s GLU 123 Cb -0.35 -4.57 0.00 0.00 0.26 0.00 0.00 34.13 29.46 1nxi s GLU 123 CO 0.40 -1.30 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1nxi n GLY 124 N 3.16 1.14 2.85 -1.50 0.00 -1.26 -5.07 105.19 104.51 1nxi n GLY 124 Ca 0.22 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.59 1nxi n GLY 124 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nxi n LEU 125 N 0.00 -6.96 -4.83 0.99 7.94 -1.26 -4.98 117.00 107.91 1nxi n LEU 125 Ca 0.00 1.13 -0.34 0.00 -1.11 0.00 0.00 56.01 55.69 1nxi n LEU 125 Cb 0.00 -2.94 -0.06 0.00 0.53 0.00 0.00 43.42 40.95 1nxi n LEU 125 CO 0.00 -2.73 -0.21 -1.61 -1.11 0.00 0.00 177.39 171.73 1nxi s GLU 126 N -1.57 3.23 -0.32 1.96 2.02 -1.26 -4.75 118.70 118.00 1nxi s GLU 126 Ca 0.02 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 54.60 1nxi s GLU 126 Cb -0.01 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.25 1nxi s GLU 126 CO 0.62 0.68 0.16 0.72 0.02 0.00 0.00 175.26 177.46 1nxi n HIS 127 N 1.34 -3.65 -1.62 1.61 8.25 -1.26 -4.73 115.22 115.16 1nxi n HIS 127 Ca -0.14 1.58 -0.57 0.00 -0.26 0.00 0.00 57.72 58.33 1nxi n HIS 127 Cb 0.53 -3.83 -0.07 0.00 1.12 0.00 0.00 29.99 27.74 1nxi n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nxi n HIS 128 N 0.48 1.48 -3.61 4.41 8.25 -1.26 -4.88 115.22 120.09 1nxi n HIS 128 Ca 0.03 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 1nxi n HIS 128 Cb 0.15 -2.29 -0.01 0.00 1.12 0.00 0.00 29.99 28.96 1nxi n HIS 128 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1nxi s HIS 129 N 1.52 -0.06 0.00 4.41 5.04 -1.26 -5.18 115.29 119.76 1nxi s HIS 129 Ca 0.93 -0.01 0.00 0.00 -1.54 0.00 0.00 55.06 54.43 1nxi s HIS 129 Cb -1.14 0.53 0.00 0.00 0.04 0.00 0.00 32.58 32.01 1nxi s HIS 129 CO 0.59 -0.21 0.00 0.72 -2.34 0.00 0.00 174.74 173.50 1nxi n HIS 130 N -0.36 0.00 -2.69 3.88 -0.00 -1.26 -5.13 115.22 109.66 1nxi n HIS 130 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1nxi n HIS 130 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 1nxi n HIS 130 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1nxi n HIS 131 N 0.00 0.00 -0.44 4.41 -0.00 -1.26 -5.29 115.22 112.64 1nxi n HIS 131 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1nxi n HIS 131 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1nxi n HIS 131 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38