#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi s SER 2 N 0.00 -0.18 -0.41 7.83 0.01 -1.26 -5.08 113.70 114.61 1nxi s SER 2 Ca 0.00 0.13 -0.37 0.00 1.31 0.00 0.00 55.95 57.02 1nxi s SER 2 Cb 0.00 0.35 -0.16 0.00 0.21 0.00 0.00 66.02 66.42 1nxi s SER 2 CO 0.00 -0.38 1.53 1.41 0.41 0.00 0.00 173.24 176.21 1nxi n HIS 3 N 1.58 1.20 0.00 2.43 -0.00 -1.26 -4.84 115.22 114.33 1nxi n HIS 3 Ca -0.20 0.79 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 1nxi n HIS 3 Cb 0.56 -1.85 0.00 0.00 -0.00 0.00 0.00 29.99 28.70 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 4.69 0.00 0.00 -0.41 -0.06 -1.26 -5.16 117.38 115.17 1nxi n GLN 4 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.35 1nxi n GLN 4 Cb -0.04 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.14 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1nxi n ASP 5 N 0.00 0.00 -3.16 1.69 8.00 -1.26 -5.13 116.55 116.69 1nxi n ASP 5 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1nxi n ASP 5 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1nxi n ASP 5 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nxi s ASP 6 N -0.08 -1.35 0.38 -2.24 2.15 -1.26 -5.16 116.67 109.11 1nxi s ASP 6 Ca 0.00 0.84 0.06 0.00 0.43 0.00 0.00 52.55 53.88 1nxi s ASP 6 Cb 0.00 2.14 0.06 0.00 -0.30 0.00 0.00 42.92 44.82 1nxi s ASP 6 CO 0.00 -0.26 0.50 0.00 -0.17 0.00 0.00 175.17 175.23 1nxi n TYR 7 N 5.43 -2.27 0.00 -5.34 9.36 -1.26 -5.10 117.16 117.98 1nxi n TYR 7 Ca -0.01 -1.44 0.00 0.00 3.32 0.00 0.00 57.90 59.77 1nxi n TYR 7 Cb 0.51 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 1nxi n TYR 7 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1nxi n LEU 8 N 0.00 0.00 0.00 2.98 4.77 -1.26 -4.97 117.00 118.52 1nxi n LEU 8 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1nxi n LEU 8 Cb 0.40 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1nxi n LEU 8 CO 0.26 -0.20 0.00 -1.20 -1.33 0.00 0.00 177.39 174.92 1nxi n SER 9 N -1.71 0.00 0.04 -1.43 7.64 -1.26 -4.52 113.62 112.37 1nxi n SER 9 Ca 0.00 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.10 1nxi n SER 9 Cb 0.00 0.00 0.73 0.00 -1.01 0.00 0.00 64.21 63.93 1nxi n SER 9 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1nxi h VAL 10 N 0.00 0.43 0.25 0.44 -1.51 -1.99 -2.29 116.25 111.57 1nxi h VAL 10 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1nxi h VAL 10 Cb 0.00 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 29.79 1nxi h VAL 10 CO 0.00 0.00 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.14 1nxi h GLU 11 N 0.00 -0.33 -0.64 5.19 4.57 -1.99 -1.25 114.58 120.13 1nxi h GLU 11 Ca 0.24 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.53 1nxi h GLU 11 Cb 1.21 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.76 1nxi h GLU 11 CO -0.00 -0.22 -0.48 0.93 -1.18 0.00 0.00 179.01 178.06 1nxi h GLU 12 N -0.59 -0.20 0.10 1.92 4.39 -1.82 0.16 114.58 118.54 1nxi h GLU 12 Ca -0.03 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1nxi h GLU 12 Cb 0.26 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 1nxi h GLU 12 CO 0.06 -0.13 -0.51 -0.07 -1.16 0.00 0.00 179.01 177.19 1nxi h LEU 13 N -0.21 -1.55 -0.80 1.33 3.38 -1.52 -0.97 115.31 114.97 1nxi h LEU 13 Ca 0.17 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.49 1nxi h LEU 13 Cb 0.55 0.57 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1nxi h LEU 13 CO -0.73 -0.53 -0.01 0.40 0.09 0.00 0.00 178.44 177.66 1nxi h ILE 14 N -0.72 0.28 -0.22 1.22 2.04 0.05 0.26 117.51 120.43 1nxi h ILE 14 Ca -0.00 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1nxi h ILE 14 Cb 0.73 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1nxi h ILE 14 CO -0.29 0.02 -0.12 -0.08 0.00 0.00 0.00 178.15 177.68 1nxi h GLU 15 N 0.08 -0.09 0.00 2.37 4.81 0.49 0.26 114.58 122.51 1nxi h GLU 15 Ca 0.44 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1nxi h GLU 15 Cb 0.79 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 1nxi h GLU 15 CO -0.72 -0.06 -0.05 0.82 -0.73 0.00 0.00 179.01 178.27 1nxi h ILE 16 N -0.10 0.47 -0.13 2.32 2.04 0.54 -1.76 117.51 120.89 1nxi h ILE 16 Ca 0.12 -0.24 -0.22 0.00 1.00 0.00 0.00 64.86 65.52 1nxi h ILE 16 Cb 0.28 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1nxi h ILE 16 CO -0.28 0.05 -0.78 1.56 0.00 0.00 0.00 178.15 178.69 1nxi h GLN 17 N 0.00 0.76 -0.29 2.37 1.08 0.18 -2.03 115.11 117.19 1nxi h GLN 17 Ca -0.00 -0.65 -0.05 0.00 -1.45 0.00 0.00 58.65 56.51 1nxi h GLN 17 Cb 0.15 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1nxi h GLN 17 CO 0.01 1.25 -0.02 0.87 -0.95 0.00 0.00 178.83 179.98 1nxi h LYS 18 N 0.48 0.44 0.04 1.46 1.57 -0.19 -2.13 116.57 118.24 1nxi h LYS 18 Ca -0.06 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1nxi h LYS 18 Cb 1.42 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1nxi h LYS 18 CO 0.16 0.49 -0.02 0.93 -0.57 0.00 0.00 179.45 180.44 1nxi h GLU 19 N 0.42 -0.05 -0.45 3.15 5.08 -1.38 -2.28 114.58 119.07 1nxi h GLU 19 Ca 0.09 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1nxi h GLU 19 Cb 0.32 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1nxi h GLU 19 CO 0.01 -0.04 -0.27 -1.91 -1.00 0.00 0.00 179.01 175.81 1nxi n GLU 20 N -2.35 -0.20 -0.04 2.33 2.13 -0.77 -0.51 120.64 121.23 1nxi n GLU 20 Ca -0.01 1.20 -0.02 0.00 0.66 0.00 0.00 57.16 59.00 1nxi n GLU 20 Cb 0.02 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 29.93 1nxi n GLU 20 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1nxi h THR 21 N 0.00 0.00 -0.88 6.31 2.02 -1.53 0.44 112.91 119.27 1nxi h THR 21 Ca 0.07 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.56 1nxi h THR 21 Cb 0.18 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.43 1nxi h THR 21 CO -0.42 0.00 0.25 -1.14 0.37 0.00 0.00 175.52 174.58 1nxi n ARG 22 N -3.25 -0.06 -0.09 6.66 0.63 -0.55 0.18 116.66 120.19 1nxi n ARG 22 Ca -0.00 1.26 -0.10 0.00 -0.92 0.00 0.00 57.85 58.09 1nxi n ARG 22 Cb 0.06 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 30.81 1nxi n ARG 22 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1nxi h ASP 23 N 0.00 0.37 0.64 6.15 3.58 0.24 -1.97 116.42 125.44 1nxi h ASP 23 Ca 0.64 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 1nxi h ASP 23 Cb 1.55 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 42.51 1nxi h ASP 23 CO -0.75 0.39 -0.31 0.40 -2.88 0.00 0.00 179.24 176.10 1nxi h ILE 24 N 0.33 0.08 -0.99 2.25 2.04 0.37 -2.61 117.51 118.98 1nxi h ILE 24 Ca 0.10 -0.36 0.26 0.00 1.00 0.00 0.00 64.86 65.86 1nxi h ILE 24 Cb 0.12 0.11 -0.19 0.00 -0.74 0.00 0.00 36.82 36.12 1nxi h ILE 24 CO -0.01 0.01 -0.03 -0.38 0.00 0.00 0.00 178.15 177.74 1nxi n ILE 25 N -5.35 -0.42 -0.16 -0.67 2.08 0.38 0.14 119.36 115.37 1nxi n ILE 25 Ca -0.11 2.19 -0.05 0.00 0.56 0.00 0.00 62.75 65.34 1nxi n ILE 25 Cb 0.35 -3.17 0.04 0.00 -0.75 0.00 0.00 39.64 36.11 1nxi n ILE 25 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1nxi h GLN 26 N 0.00 0.51 -0.58 0.38 1.08 -1.25 0.91 115.11 116.14 1nxi h GLN 26 Ca 0.58 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.73 1nxi h GLN 26 Cb 1.14 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 1nxi h GLN 26 CO -0.95 0.33 0.32 0.00 -0.95 0.00 0.00 178.83 177.59 1nxi h ALA 27 N 1.24 0.75 0.45 3.87 0.00 0.17 0.79 119.26 126.53 1nxi h ALA 27 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nxi h ALA 27 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nxi h ALA 27 CO -0.13 0.27 -0.21 -0.07 0.00 0.00 0.00 179.25 179.11 1nxi h LEU 28 N 0.79 -0.51 0.01 0.00 3.38 -0.41 -1.33 115.31 117.24 1nxi h LEU 28 Ca 0.21 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1nxi h LEU 28 Cb 0.05 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1nxi h LEU 28 CO -0.03 -0.28 -0.41 -0.07 0.09 0.00 0.00 178.44 177.74 1nxi h LEU 29 N -0.77 -1.27 -0.90 1.67 4.07 -0.86 -0.91 115.31 116.35 1nxi h LEU 29 Ca -0.06 0.14 0.18 0.00 0.08 0.00 0.00 57.88 58.22 1nxi h LEU 29 Cb 0.46 0.48 -0.17 0.00 1.08 0.00 0.00 40.66 42.51 1nxi h LEU 29 CO 0.10 -0.41 -0.24 -0.08 -1.08 0.00 0.00 178.44 176.74 1nxi h GLU 30 N -0.53 -0.00 -0.78 1.13 4.22 -0.93 0.90 114.58 118.60 1nxi h GLU 30 Ca 0.01 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.58 1nxi h GLU 30 Cb 0.56 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 1nxi h GLU 30 CO -0.27 -0.00 0.37 0.22 -2.18 0.00 0.00 179.01 177.15 1nxi h ASP 31 N -0.00 0.43 0.00 1.04 1.82 0.00 -3.45 116.42 116.26 1nxi h ASP 31 Ca 0.42 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 1nxi h ASP 31 Cb 0.65 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1nxi h ASP 31 CO -0.92 0.20 0.00 0.61 -1.61 0.00 0.00 179.24 177.52 1nxi n GLY 32 N -1.32 -0.40 2.81 -0.78 0.00 0.31 -5.10 105.19 100.71 1nxi n GLY 32 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nxi n SER 33 N 0.00 -4.89 -3.91 1.61 3.41 -0.87 -4.91 113.62 104.06 1nxi n SER 33 Ca 0.00 0.30 -0.30 0.00 -0.26 0.00 0.00 58.87 58.60 1nxi n SER 33 Cb 0.00 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.09 1nxi n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1nxi s ASP 34 N -0.92 4.26 0.00 4.04 1.11 -1.26 -4.85 116.67 119.05 1nxi s ASP 34 Ca 0.41 -2.78 0.02 0.00 0.18 0.00 0.00 52.55 50.38 1nxi s ASP 34 Cb -0.25 -1.51 0.10 0.00 1.07 0.00 0.00 42.92 42.33 1nxi s ASP 34 CO 0.71 -0.26 0.47 -2.65 1.18 0.00 0.00 175.17 174.62 1nxi n PRO 35 N 3.40 0.08 0.14 8.23 -0.02 -1.26 -1.93 135.00 143.64 1nxi n PRO 35 Ca 0.05 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1nxi n PRO 35 Cb 0.34 -1.36 0.09 0.00 -0.02 0.00 0.00 33.50 32.55 1nxi n PRO 35 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1nxi h ASP 36 N 0.00 0.00 -0.63 2.55 3.58 -1.92 -3.28 116.42 116.72 1nxi h ASP 36 Ca 0.00 -0.02 -0.21 0.00 0.42 0.00 0.00 57.03 57.22 1nxi h ASP 36 Cb 0.00 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 40.92 1nxi h ASP 36 CO 0.00 0.01 0.27 0.00 -2.88 0.00 0.00 179.24 176.64 1nxi n ALA 37 N -2.11 4.31 -1.56 -0.78 0.00 -0.81 -5.03 120.51 114.54 1nxi n ALA 37 Ca 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.52 1nxi n ALA 37 Cb 0.53 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1nxi n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nxi n LEU 38 N -0.16 -1.65 -4.63 0.00 4.77 -1.24 -4.99 117.00 109.10 1nxi n LEU 38 Ca 0.35 2.58 -0.26 0.00 -0.03 0.00 0.00 56.01 58.65 1nxi n LEU 38 Cb 1.23 -3.01 -0.10 0.00 -2.33 0.00 0.00 43.42 39.22 1nxi n LEU 38 CO 0.38 -0.27 -0.28 -0.47 -1.33 0.00 0.00 177.39 175.41 1nxi s TYR 39 N -4.53 2.52 -0.05 -1.77 5.04 0.40 -4.94 117.35 114.01 1nxi s TYR 39 Ca 0.00 -0.57 0.05 0.00 -2.44 0.00 0.00 57.07 54.11 1nxi s TYR 39 Cb 0.00 -1.68 -0.01 0.00 0.35 0.00 0.00 41.96 40.62 1nxi s TYR 39 CO 0.00 0.43 -0.22 -2.00 -1.34 0.00 0.00 175.55 172.41 1nxi s GLU 40 N -3.73 2.31 0.10 4.97 2.56 -1.26 -2.20 118.70 121.44 1nxi s GLU 40 Ca 0.36 -0.81 0.06 0.00 0.00 0.00 0.00 54.97 54.58 1nxi s GLU 40 Cb 0.05 -1.97 -0.03 0.00 2.00 0.00 0.00 34.13 34.18 1nxi s GLU 40 CO 0.19 0.33 -0.16 0.42 -0.56 0.00 0.00 175.26 175.48 1nxi s ILE 41 N -0.09 1.33 0.07 -3.70 1.09 -0.80 -3.66 121.20 115.43 1nxi s ILE 41 Ca -0.04 -1.49 0.04 0.00 -1.10 0.00 0.00 60.65 58.06 1nxi s ILE 41 Cb -0.13 -1.33 -0.03 0.00 -1.06 0.00 0.00 42.46 39.91 1nxi s ILE 41 CO 0.03 -0.24 -0.13 -1.83 -0.10 0.00 0.00 174.94 172.67 1nxi s GLU 42 N -2.07 0.76 0.14 2.79 1.03 -0.58 -1.67 118.70 119.09 1nxi s GLU 42 Ca 0.03 -0.92 0.08 0.00 0.03 0.00 0.00 54.97 54.19 1nxi s GLU 42 Cb -0.08 -0.70 -0.04 0.00 -0.80 0.00 0.00 34.13 32.51 1nxi s GLU 42 CO 0.03 0.15 -0.19 -1.01 -1.33 0.00 0.00 175.26 172.91 1nxi s HIS 43 N -1.36 1.78 -0.27 4.83 3.76 0.18 -2.33 115.29 121.88 1nxi s HIS 43 Ca -0.03 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1nxi s HIS 43 Cb -0.10 -0.92 0.06 0.00 1.11 0.00 0.00 32.58 32.73 1nxi s HIS 43 CO 0.02 0.28 -0.08 -1.01 -0.85 0.00 0.00 174.74 173.10 1nxi s HIS 44 N -1.77 3.26 -0.08 1.40 3.76 -0.07 -2.30 115.29 119.50 1nxi s HIS 44 Ca 0.12 -2.17 0.03 0.00 -0.15 0.00 0.00 55.06 52.90 1nxi s HIS 44 Cb -0.07 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1nxi s HIS 44 CO 0.06 -0.85 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.40 1nxi s LEU 45 N 1.15 1.89 0.32 0.89 1.02 -1.04 -3.50 118.68 119.41 1nxi s LEU 45 Ca -0.08 -0.43 0.10 0.00 0.02 0.00 0.00 54.13 53.75 1nxi s LEU 45 Cb -0.20 -1.13 -0.06 0.00 0.02 0.00 0.00 46.19 44.83 1nxi s LEU 45 CO -0.04 0.11 -0.10 0.72 0.02 0.00 0.00 176.35 177.06 1nxi s PHE 46 N 0.41 2.41 0.31 0.29 -0.71 -1.19 -1.82 117.98 117.69 1nxi s PHE 46 Ca -0.15 -0.42 0.04 0.00 -1.04 0.00 0.00 56.93 55.36 1nxi s PHE 46 Cb -0.16 -1.27 -0.02 0.00 -1.21 0.00 0.00 43.02 40.36 1nxi s PHE 46 CO 0.06 0.61 0.31 0.00 -1.34 0.00 0.00 175.22 174.86 1nxi s ALA 47 N -2.54 1.48 0.00 1.99 0.00 -0.83 -3.15 121.76 118.70 1nxi s ALA 47 Ca 0.32 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1nxi s ALA 47 Cb -0.01 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.50 1nxi s ALA 47 CO 0.17 -0.69 0.24 -0.85 0.00 0.00 0.00 175.76 174.63 1nxi n GLU 48 N -0.56 2.54 -3.94 0.00 -0.00 -1.26 -3.31 120.64 114.11 1nxi n GLU 48 Ca 0.05 -0.24 -0.30 0.00 -0.00 0.00 0.00 57.16 56.67 1nxi n GLU 48 Cb 0.63 -0.72 -0.15 0.00 -0.00 0.00 0.00 31.44 31.19 1nxi n GLU 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1nxi s ASP 49 N -0.43 4.05 0.27 -1.84 2.15 -1.26 -4.99 116.67 114.62 1nxi s ASP 49 Ca 0.00 -1.39 0.04 0.00 0.43 0.00 0.00 52.55 51.63 1nxi s ASP 49 Cb 0.00 -1.24 0.70 0.00 -0.30 0.00 0.00 42.92 42.09 1nxi s ASP 49 CO 0.00 -0.27 1.30 0.33 -0.17 0.00 0.00 175.17 176.36 1nxi n PHE 50 N 4.61 0.59 0.05 -5.34 7.35 -1.26 -0.49 117.46 122.97 1nxi n PHE 50 Ca -0.09 1.00 -0.02 0.00 -0.76 0.00 0.00 57.45 57.58 1nxi n PHE 50 Cb 0.43 -1.16 -0.01 0.00 0.35 0.00 0.00 39.48 39.09 1nxi n PHE 50 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1nxi h ASP 51 N 0.00 -0.10 -1.72 -2.13 3.58 -2.00 -1.57 116.42 112.48 1nxi h ASP 51 Ca 0.53 0.00 0.53 0.00 0.42 0.00 0.00 57.03 58.51 1nxi h ASP 51 Cb 1.16 0.03 -0.10 0.00 1.72 0.00 0.00 39.33 42.14 1nxi h ASP 51 CO -0.76 -0.07 1.20 0.50 -2.88 0.00 0.00 179.24 177.23 1nxi h LYS 52 N -0.13 0.01 0.07 0.28 1.63 -1.37 0.85 116.57 117.92 1nxi h LYS 52 Ca -0.01 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1nxi h LYS 52 Cb 0.09 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1nxi h LYS 52 CO 0.02 0.01 -0.04 1.25 -3.45 0.00 0.00 179.45 177.24 1nxi h LEU 53 N 0.01 -0.08 -0.86 5.20 6.46 -0.28 -2.54 115.31 123.22 1nxi h LEU 53 Ca 0.90 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 58.34 1nxi h LEU 53 Cb 3.34 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 43.25 1nxi h LEU 53 CO -0.17 0.27 0.51 -0.33 -0.62 0.00 0.00 178.44 178.10 1nxi h GLU 54 N -0.45 1.17 0.31 1.25 5.08 0.17 0.82 114.58 122.92 1nxi h GLU 54 Ca -0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1nxi h GLU 54 Cb 0.39 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1nxi h GLU 54 CO 0.02 0.82 -0.32 0.87 -1.00 0.00 0.00 179.01 179.40 1nxi h LYS 55 N 1.18 -0.60 -0.53 2.33 1.57 -1.15 0.16 116.57 119.53 1nxi h LYS 55 Ca 0.31 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.17 1nxi h LYS 55 Cb -0.04 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1nxi h LYS 55 CO -0.06 -0.40 0.28 0.00 -0.57 0.00 0.00 179.45 178.71 1nxi h ALA 56 N -1.22 0.68 0.12 3.86 0.00 -1.37 -2.29 119.26 119.03 1nxi h ALA 56 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nxi h ALA 56 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1nxi h ALA 56 CO -0.04 -0.04 -0.31 0.00 0.00 0.00 0.00 179.25 178.86 1nxi h ALA 57 N 1.27 -0.85 -0.90 0.00 0.00 -0.54 -0.44 119.26 117.79 1nxi h ALA 57 Ca 0.23 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.31 1nxi h ALA 57 Cb 0.10 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 18.42 1nxi h ALA 57 CO -0.14 -0.91 0.25 0.28 0.00 0.00 0.00 179.25 178.73 1nxi h VAL 58 N -0.47 0.27 -0.68 0.00 2.07 -0.54 0.68 116.25 117.58 1nxi h VAL 58 Ca -0.01 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1nxi h VAL 58 Cb 0.46 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1nxi h VAL 58 CO -0.14 0.03 0.41 -0.33 0.02 0.00 0.00 177.57 177.56 1nxi h GLU 59 N 0.19 0.75 -0.32 1.57 4.39 -0.67 0.16 114.58 120.65 1nxi h GLU 59 Ca 0.58 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 60.19 1nxi h GLU 59 Cb 1.21 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1nxi h GLU 59 CO -0.68 0.50 0.03 0.00 -1.16 0.00 0.00 179.01 177.70 1nxi h ALA 60 N 1.32 0.42 0.00 3.43 0.00 0.18 -2.10 119.26 122.51 1nxi h ALA 60 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nxi h ALA 60 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1nxi h ALA 60 CO -0.14 0.14 0.00 0.35 0.00 0.00 0.00 179.25 179.60 1nxi h PHE 61 N 0.35 0.00 0.10 0.00 3.04 -0.43 -2.47 116.94 117.53 1nxi h PHE 61 Ca 0.09 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.76 1nxi h PHE 61 Cb 0.38 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.91 1nxi h PHE 61 CO 0.03 0.00 -1.19 -0.22 -2.02 0.00 0.00 178.31 174.91 1nxi h LYS 62 N 0.00 0.53 -0.00 1.11 3.64 -0.05 -3.32 116.57 118.47 1nxi h LYS 62 Ca 0.00 -0.70 -0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1nxi h LYS 62 Cb 0.33 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1nxi h LYS 62 CO 0.00 1.30 -0.00 0.52 -2.27 0.00 0.00 179.45 179.00 1nxi h MET 63 N 0.24 0.00 0.00 1.90 2.86 -1.00 -3.47 114.93 115.46 1nxi h MET 63 Ca -0.16 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1nxi h MET 63 Cb 1.86 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.52 1nxi h MET 63 CO 0.22 0.42 0.00 0.41 1.06 0.00 0.00 176.91 179.02 1nxi n GLY 64 N 0.05 0.07 3.73 8.32 0.00 -1.02 -5.13 105.19 111.21 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 3.06 -0.63 1.61 0.40 -1.00 -4.89 117.98 116.53 1nxi s PHE 65 Ca 0.00 0.77 -0.24 0.00 -0.60 0.00 0.00 56.93 56.86 1nxi s PHE 65 Cb 0.00 -3.88 0.05 0.00 0.51 0.00 0.00 43.02 39.70 1nxi s PHE 65 CO 0.00 -3.12 1.01 -2.00 0.70 0.00 0.00 175.22 171.80 1nxi s GLU 66 N 0.69 3.21 0.35 0.44 2.12 -0.70 -3.70 118.70 121.12 1nxi s GLU 66 Ca 0.66 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 55.19 1nxi s GLU 66 Cb -0.43 -4.15 -0.11 0.00 0.26 0.00 0.00 34.13 29.70 1nxi s GLU 66 CO 0.35 -1.75 1.41 0.54 -0.54 0.00 0.00 175.26 175.27 1nxi s VAL 67 N 4.30 2.35 -0.07 3.70 0.11 -1.26 -1.85 120.40 127.67 1nxi s VAL 67 Ca 0.27 0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.68 1nxi s VAL 67 Cb -0.14 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.46 1nxi s VAL 67 CO 0.14 0.08 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.14 1nxi s LEU 68 N -1.87 2.99 0.42 2.54 1.02 1.60 -4.92 118.68 120.45 1nxi s LEU 68 Ca 0.52 -0.11 -0.21 0.00 0.02 0.00 0.00 54.13 54.34 1nxi s LEU 68 Cb -0.44 -1.64 -0.15 0.00 0.02 0.00 0.00 46.19 43.99 1nxi s LEU 68 CO 0.58 0.33 0.15 -0.62 0.02 0.00 0.00 176.35 176.82 1nxi n GLU 69 N 2.41 0.10 -2.73 1.70 -0.58 -1.26 -2.30 120.64 117.98 1nxi n GLU 69 Ca -0.18 0.04 -0.22 0.00 -0.42 0.00 0.00 57.16 56.38 1nxi n GLU 69 Cb 0.53 -1.10 0.11 0.00 -0.57 0.00 0.00 31.44 30.40 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nxi n ALA 70 N -1.05 0.52 -3.48 0.62 0.00 -1.26 -4.33 120.51 111.54 1nxi n ALA 70 Ca 0.11 -2.05 -0.19 0.00 0.00 0.00 0.00 53.44 51.31 1nxi n ALA 70 Cb 0.41 0.41 -0.12 0.00 0.00 0.00 0.00 19.45 20.14 1nxi n ALA 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1nxi s GLU 71 N -5.03 0.22 -0.45 0.00 2.56 -1.19 -4.91 118.70 109.91 1nxi s GLU 71 Ca 0.66 0.07 -0.41 0.00 0.00 0.00 0.00 54.97 55.30 1nxi s GLU 71 Cb -0.04 -1.09 -0.17 0.00 2.00 0.00 0.00 34.13 34.82 1nxi s GLU 71 CO 0.43 -0.77 1.71 0.39 -0.56 0.00 0.00 175.26 176.47 1nxi n GLU 72 N 5.31 0.00 0.00 4.30 4.71 -1.26 -4.37 120.64 129.33 1nxi n GLU 72 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1nxi n GLU 72 Cb 0.48 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.57 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1nxi n THR 73 N 4.87 0.00 -3.92 2.62 5.66 -1.07 -4.95 114.28 117.49 1nxi n THR 73 Ca 0.40 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.31 1nxi n THR 73 Cb -0.04 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.67 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 1.03 1.07 -0.06 1.09 1.03 -1.26 -2.92 118.70 118.67 1nxi s GLU 74 Ca 0.00 -1.10 0.18 0.00 0.03 0.00 0.00 54.97 54.08 1nxi s GLU 74 Cb 0.00 0.37 0.36 0.00 -0.80 0.00 0.00 34.13 34.06 1nxi s GLU 74 CO 0.00 -0.38 1.16 -0.25 -1.33 0.00 0.00 175.26 174.46 1nxi n ASP 75 N -0.17 1.13 0.00 0.83 8.00 -1.26 -4.92 116.55 120.15 1nxi n ASP 75 Ca -0.10 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1nxi n ASP 75 Cb 0.63 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1nxi n ASP 75 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1nxi n GLU 76 N -0.09 -0.10 0.00 -1.24 2.13 -1.26 -4.42 120.64 115.65 1nxi n GLU 76 Ca 0.09 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1nxi n GLU 76 Cb 0.94 -3.60 0.00 0.00 0.27 0.00 0.00 31.44 29.06 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1nxi n ASP 77 N -0.05 0.00 -0.05 4.31 5.68 -1.26 -4.88 116.55 120.30 1nxi n ASP 77 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 1nxi n ASP 77 Cb 0.03 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.85 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nxi n GLY 78 N 0.00 -0.96 5.00 6.12 0.00 -1.26 -4.95 105.19 109.13 1nxi n GLY 78 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.47 0.00 -3.72 1.61 2.85 -1.26 -4.30 115.26 107.96 1nxi n ASN 79 Ca -0.18 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.01 1nxi n ASN 79 Cb 0.84 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.70 1nxi n ASN 79 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1nxi s LYS 80 N 0.00 0.64 0.25 1.20 2.20 -1.26 -4.39 119.74 118.38 1nxi s LYS 80 Ca 0.00 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1nxi s LYS 80 Cb 0.00 -1.99 -0.03 0.00 -1.51 0.00 0.00 37.83 34.30 1nxi s LYS 80 CO 0.00 -0.78 0.22 -0.48 -0.36 0.00 0.00 175.35 173.95 1nxi s LEU 81 N 1.81 1.23 -0.08 5.43 0.05 -1.15 -5.01 118.68 120.96 1nxi s LEU 81 Ca 0.03 -1.46 0.02 0.00 0.05 0.00 0.00 54.13 52.77 1nxi s LEU 81 Cb -0.17 0.62 -0.02 0.00 -2.05 0.00 0.00 46.19 44.56 1nxi s LEU 81 CO -0.16 -0.96 -0.12 -0.76 -0.55 0.00 0.00 176.35 173.81 1nxi s LEU 82 N -3.21 2.86 -0.30 1.48 1.02 -1.21 -2.59 118.68 116.73 1nxi s LEU 82 Ca 0.38 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.35 1nxi s LEU 82 Cb 0.05 -1.61 0.09 0.00 0.02 0.00 0.00 46.19 44.73 1nxi s LEU 82 CO 0.17 0.29 0.05 0.00 0.02 0.00 0.00 176.35 176.88 1nxi s PHE 84 N 1.33 3.48 0.06 0.00 -0.71 -0.76 -3.15 117.98 118.25 1nxi s PHE 84 Ca 0.07 0.64 0.06 0.00 -1.04 0.00 0.00 56.93 56.65 1nxi s PHE 84 Cb -0.18 -2.06 -0.04 0.00 -1.21 0.00 0.00 43.02 39.53 1nxi s PHE 84 CO -0.15 0.43 -0.11 0.34 -1.34 0.00 0.00 175.22 174.38 1nxi s ASP 85 N -2.31 4.30 0.02 1.98 2.15 -0.97 -2.48 116.67 119.35 1nxi s ASP 85 Ca 0.40 -0.34 0.06 0.00 0.43 0.00 0.00 52.55 53.11 1nxi s ASP 85 Cb -0.12 -0.84 -0.02 0.00 -0.30 0.00 0.00 42.92 41.64 1nxi s ASP 85 CO 0.23 0.22 -0.18 0.00 -0.17 0.00 0.00 175.17 175.27 1nxi s ALA 86 N -1.08 1.53 0.37 3.66 0.00 -0.97 0.45 121.76 125.71 1nxi s ALA 86 Ca 0.18 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.34 1nxi s ALA 86 Cb -0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 1nxi s ALA 86 CO 0.10 0.35 0.02 0.95 0.00 0.00 0.00 175.76 177.17 1nxi s THR 87 N -0.64 2.39 -0.28 0.00 -4.23 -0.77 -0.65 115.64 111.46 1nxi s THR 87 Ca 0.06 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.39 1nxi s THR 87 Cb -0.08 -2.84 0.12 0.00 1.34 0.00 0.00 72.50 71.05 1nxi s THR 87 CO 0.01 -0.13 0.96 -0.32 -0.54 0.00 0.00 174.62 174.59 1nxi s MET 88 N -3.72 0.50 0.13 3.99 -2.45 -0.67 -1.72 119.30 115.35 1nxi s MET 88 Ca 0.35 0.71 -0.10 0.00 -1.25 0.00 0.00 55.69 55.40 1nxi s MET 88 Cb 0.03 0.18 -0.06 0.00 1.25 0.00 0.00 34.83 36.22 1nxi s MET 88 CO 0.19 -0.08 0.47 1.14 1.05 0.00 0.00 175.02 177.79 1nxi s GLN 89 N 0.81 3.81 0.31 4.11 0.00 -1.26 -1.91 119.66 125.54 1nxi s GLN 89 Ca -0.03 0.25 -0.07 0.00 -0.00 0.00 0.00 55.36 55.51 1nxi s GLN 89 Cb -0.04 -2.90 0.03 0.00 0.00 0.00 0.00 33.01 30.10 1nxi s GLN 89 CO -0.11 0.48 0.54 -1.13 0.00 0.00 0.00 175.29 175.07 1nxi n SER 90 N 0.59 -1.53 -2.50 12.60 3.41 -0.94 -4.95 113.62 120.29 1nxi n SER 90 Ca -0.05 -2.46 -0.36 0.00 -0.26 0.00 0.00 58.87 55.74 1nxi n SER 90 Cb 0.52 2.67 0.06 0.00 -0.26 0.00 0.00 64.21 67.20 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 -1.02 6.36 -2.61 7.33 0.00 -1.26 -0.46 120.51 128.85 1nxi n ALA 91 Ca -0.13 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1nxi n ALA 91 Cb 0.49 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1nxi n ALA 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nxi n LEU 92 N -0.69 -3.15 -3.17 0.00 0.00 -1.26 -4.89 117.00 103.82 1nxi n LEU 92 Ca 0.58 0.47 0.04 0.00 0.00 0.00 0.00 56.01 57.10 1nxi n LEU 92 Cb 0.52 -1.26 -0.01 0.00 0.00 0.00 0.00 43.42 42.67 1nxi n LEU 92 CO 0.68 -1.50 0.17 -1.81 0.00 0.00 0.00 177.39 174.93 1nxi s ASP 93 N -0.55 -1.36 0.02 1.96 1.01 -1.26 -4.96 116.67 111.54 1nxi s ASP 93 Ca 0.00 0.90 -0.05 0.00 0.71 0.00 0.00 52.55 54.12 1nxi s ASP 93 Cb 0.00 2.16 -0.01 0.00 1.01 0.00 0.00 42.92 46.08 1nxi s ASP 93 CO 0.00 -0.25 1.00 0.00 0.21 0.00 0.00 175.17 176.13 1nxi n ALA 94 N 5.43 -0.09 -0.24 5.23 0.00 -1.26 0.10 120.51 129.68 1nxi n ALA 94 Ca -0.02 0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.70 1nxi n ALA 94 Cb 0.51 0.37 0.30 0.00 0.00 0.00 0.00 19.45 20.62 1nxi n ALA 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nxi n LYS 95 N -3.28 -0.05 0.20 0.00 4.81 -1.26 0.34 118.16 118.91 1nxi n LYS 95 Ca 0.00 1.03 -0.11 0.00 -0.87 0.00 0.00 58.31 58.37 1nxi n LYS 95 Cb 0.04 -1.73 -0.06 0.00 0.02 0.00 0.00 35.03 33.30 1nxi n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1nxi h LEU 96 N 0.00 -0.47 -1.68 3.14 4.07 0.28 -2.70 115.31 117.95 1nxi h LEU 96 Ca 0.50 -0.08 0.14 0.00 0.08 0.00 0.00 57.88 58.52 1nxi h LEU 96 Cb 1.18 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 1nxi h LEU 96 CO -0.62 -0.04 0.63 0.40 -1.08 0.00 0.00 178.44 177.73 1nxi h ILE 97 N -1.05 0.21 0.23 1.22 2.04 0.17 -0.77 117.51 119.57 1nxi h ILE 97 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1nxi h ILE 97 Cb 0.52 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1nxi h ILE 97 CO 0.09 0.00 -0.11 0.44 0.00 0.00 0.00 178.15 178.57 1nxi h ASP 98 N 0.00 -0.27 -1.00 1.72 5.19 -0.54 -0.81 116.42 120.71 1nxi h ASP 98 Ca 0.23 -0.16 0.09 0.00 -0.62 0.00 0.00 57.03 56.57 1nxi h ASP 98 Cb 1.49 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.99 1nxi h ASP 98 CO -0.00 0.24 0.64 -0.33 -3.12 0.00 0.00 179.24 176.67 1nxi h GLU 99 N -1.01 1.05 0.20 3.56 5.08 -0.87 0.17 114.58 122.75 1nxi h GLU 99 Ca -0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1nxi h GLU 99 Cb 0.41 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1nxi h GLU 99 CO 0.05 0.69 -0.09 1.96 -1.00 0.00 0.00 179.01 180.62 1nxi h GLN 100 N 1.08 -0.25 -0.49 2.33 7.50 -1.33 -2.29 115.11 121.66 1nxi h GLN 100 Ca 0.47 0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.69 1nxi h GLN 100 Cb 0.34 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.90 1nxi h GLN 100 CO -0.22 0.10 0.33 0.28 -1.50 0.00 0.00 178.83 177.82 1nxi h VAL 101 N -0.67 0.97 -0.56 -0.54 2.07 -0.73 -1.00 116.25 115.80 1nxi h VAL 101 Ca -0.03 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1nxi h VAL 101 Cb 0.48 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1nxi h VAL 101 CO 0.04 0.08 -0.04 -0.33 0.02 0.00 0.00 177.57 177.34 1nxi h GLU 102 N 0.43 1.00 0.16 1.57 5.08 -0.55 -1.91 114.58 120.36 1nxi h GLU 102 Ca 0.21 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1nxi h GLU 102 Cb 0.31 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nxi h GLU 102 CO -0.05 1.01 -0.08 0.87 -1.00 0.00 0.00 179.01 179.75 1nxi h LYS 103 N 0.91 -0.21 0.00 2.33 1.57 -0.60 -1.01 116.57 119.55 1nxi h LYS 103 Ca 0.16 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1nxi h LYS 103 Cb 0.58 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1nxi h LYS 103 CO 0.03 -0.11 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.70 1nxi h LEU 104 N -0.26 0.00 0.30 2.94 3.38 -1.39 -0.97 115.31 119.31 1nxi h LEU 104 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1nxi h LEU 104 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nxi h LEU 104 CO 0.04 0.03 -0.14 0.58 0.09 0.00 0.00 178.44 179.04 1nxi h VAL 105 N 0.00 0.00 -0.84 1.22 2.07 -0.46 0.12 116.25 118.36 1nxi h VAL 105 Ca -0.00 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.08 1nxi h VAL 105 Cb 0.09 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.79 1nxi h VAL 105 CO 0.00 0.00 0.49 0.78 0.02 0.00 0.00 177.57 178.86 1nxi h ASN 106 N -0.93 0.70 0.15 0.57 4.21 -1.09 -1.72 115.58 117.47 1nxi h ASN 106 Ca -0.04 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 1nxi h ASN 106 Cb 0.30 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1nxi h ASN 106 CO 0.07 0.40 -0.07 0.25 -1.29 0.00 0.00 177.43 176.78 1nxi h LEU 107 N 0.81 -0.18 -0.38 1.61 5.85 -1.25 0.12 115.31 121.90 1nxi h LEU 107 Ca 0.40 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1nxi h LEU 107 Cb 0.37 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 1nxi h LEU 107 CO -0.25 0.16 -0.41 0.00 -0.34 0.00 0.00 178.44 177.60 1nxi h ALA 108 N 0.26 -0.40 -0.55 1.25 0.00 -0.22 -1.12 119.26 118.48 1nxi h ALA 108 Ca -0.02 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1nxi h ALA 108 Cb 0.40 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1nxi h ALA 108 CO 0.03 -0.84 -0.04 0.93 0.00 0.00 0.00 179.25 179.33 1nxi h GLU 109 N -0.33 1.01 -0.82 0.00 4.39 -1.34 -1.36 114.58 116.12 1nxi h GLU 109 Ca 0.14 -0.34 0.24 0.00 0.34 0.00 0.00 59.36 59.73 1nxi h GLU 109 Cb 0.58 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1nxi h GLU 109 CO -0.55 1.02 0.66 -0.22 -1.16 0.00 0.00 179.01 178.77 1nxi h LYS 110 N 0.89 0.00 0.00 2.33 3.64 0.47 -3.26 116.57 120.64 1nxi h LYS 110 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1nxi h LYS 110 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1nxi h LYS 110 CO 0.04 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.41 1nxi n PHE 111 N -4.03 0.00 0.00 1.91 3.72 -0.77 -5.04 117.46 113.25 1nxi n PHE 111 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1nxi n PHE 111 Cb 0.95 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 -2.03 0.00 -4.36 4.37 8.00 -0.64 -5.12 116.55 116.78 1nxi n ASP 112 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 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 1.91 -0.02 0.53 -4.36 -0.61 -4.65 121.20 114.00 1nxi s ILE 113 Ca 0.00 -2.05 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1nxi s ILE 113 Cb 0.00 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 1nxi s ILE 113 CO 0.00 -0.37 0.04 -0.51 0.24 0.00 0.00 174.94 174.33 1nxi s ILE 114 N -2.28 4.45 -0.52 8.37 2.07 -1.19 -3.70 121.20 128.41 1nxi s ILE 114 Ca 0.19 -0.44 0.04 0.00 -1.41 0.00 0.00 60.65 59.03 1nxi s ILE 114 Cb -0.05 -2.99 0.13 0.00 0.13 0.00 0.00 42.46 39.69 1nxi s ILE 114 CO 0.08 0.41 0.26 -0.47 -1.91 0.00 0.00 174.94 173.30 1nxi s TYR 115 N -1.09 3.19 -0.46 3.50 5.04 -1.26 -3.18 117.35 123.08 1nxi s TYR 115 Ca 0.20 -3.17 0.05 0.00 -2.44 0.00 0.00 57.07 51.70 1nxi s TYR 115 Cb -0.12 -2.82 0.18 0.00 0.35 0.00 0.00 41.96 39.55 1nxi s TYR 115 CO 0.10 -0.74 0.39 -3.47 -1.34 0.00 0.00 175.55 170.49 1nxi n ASP 116 N 3.13 0.18 0.00 4.32 2.03 -1.23 -4.97 116.55 120.01 1nxi n ASP 116 Ca 0.05 -2.55 0.00 0.00 0.52 0.00 0.00 54.79 52.81 1nxi n ASP 116 Cb 0.32 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 2.53 -1.86 3.35 0.27 0.00 -1.26 -4.92 105.19 103.31 1nxi n GLY 117 Ca 0.28 0.87 -0.31 0.00 0.00 0.00 0.00 46.02 46.85 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 2.41 0.26 1.61 1.48 -1.26 -0.89 118.94 122.55 1nxi s TRP 118 Ca 0.00 -0.38 -0.16 0.00 -1.06 0.00 0.00 56.10 54.51 1nxi s TRP 118 Cb 0.00 -1.52 0.00 0.00 -1.16 0.00 0.00 33.47 30.79 1nxi s TRP 118 CO 0.00 0.02 0.57 0.20 -4.06 0.00 0.00 176.95 173.68 1nxi s GLY 119 N -0.67 0.30 -0.01 3.67 0.00 -0.98 -5.01 107.32 104.61 1nxi s GLY 119 Ca 0.10 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1nxi s GLY 119 CO -0.00 -0.43 -0.08 -1.08 0.00 0.00 0.00 173.10 171.51 1nxi s THR 120 N -3.98 0.64 0.26 0.90 -1.32 -1.26 -1.53 115.64 109.35 1nxi s THR 120 Ca 0.18 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 60.04 1nxi s THR 120 Cb -0.03 -0.55 -0.10 0.00 -1.51 0.00 0.00 72.50 70.31 1nxi s THR 120 CO 0.08 0.19 1.38 -0.47 -2.21 0.00 0.00 174.62 173.59 1nxi s TYR 121 N -0.06 3.07 -0.15 9.09 6.14 -1.24 -4.97 117.35 129.24 1nxi s TYR 121 Ca 0.01 1.17 -0.23 0.00 0.64 0.00 0.00 57.07 58.66 1nxi s TYR 121 Cb -0.05 -3.74 -0.03 0.00 0.42 0.00 0.00 41.96 38.57 1nxi s TYR 121 CO -0.00 -2.30 0.70 -0.47 0.64 0.00 0.00 175.55 174.12 1nxi s TYR 122 N -0.28 3.46 -0.82 4.97 5.04 -1.26 -4.85 117.35 123.61 1nxi s TYR 122 Ca 0.56 1.11 -0.24 0.00 -2.44 0.00 0.00 57.07 56.06 1nxi s TYR 122 Cb -0.40 -2.85 0.05 0.00 0.35 0.00 0.00 41.96 39.11 1nxi s TYR 122 CO 0.45 -0.09 1.25 -2.00 -1.34 0.00 0.00 175.55 173.81 1nxi s GLU 123 N 1.57 3.32 0.00 4.97 -6.30 -1.26 -4.28 118.70 116.71 1nxi s GLU 123 Ca 0.34 -0.72 0.00 0.00 -2.50 0.00 0.00 54.97 52.08 1nxi s GLU 123 Cb -0.17 -4.57 0.00 0.00 0.00 0.00 0.00 34.13 29.40 1nxi s GLU 123 CO 0.13 -2.07 0.00 0.41 0.02 0.00 0.00 175.26 173.76 1nxi n GLY 124 N 5.78 -1.46 3.29 -1.50 0.00 -1.26 -5.05 105.19 104.98 1nxi n GLY 124 Ca 0.11 0.51 -0.25 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.59 -2.63 0.99 7.94 -1.26 -4.17 117.00 113.28 1nxi n LEU 125 Ca 0.00 -0.01 -0.01 0.00 -1.11 0.00 0.00 56.01 54.88 1nxi n LEU 125 Cb 0.00 -2.34 -0.01 0.00 0.53 0.00 0.00 43.42 41.61 1nxi n LEU 125 CO 0.00 -0.84 -0.14 -0.62 -1.11 0.00 0.00 177.39 174.68 1nxi n GLU 126 N -0.60 -1.76 -3.72 1.96 -0.58 -1.26 -4.91 120.64 109.77 1nxi n GLU 126 Ca -0.04 1.43 -0.28 0.00 -0.42 0.00 0.00 57.16 57.86 1nxi n GLU 126 Cb 0.60 -1.70 -0.11 0.00 -0.57 0.00 0.00 31.44 29.66 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 2.20 2.86 0.00 -0.32 -0.00 -1.26 -4.94 115.22 113.76 1nxi n HIS 127 Ca -0.06 -4.16 0.00 0.00 -0.00 0.00 0.00 57.72 53.49 1nxi n HIS 127 Cb 0.10 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 29.57 1nxi n HIS 127 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1nxi n HIS 128 N 1.74 0.00 -1.27 1.57 -0.00 -1.26 -4.98 115.22 111.03 1nxi n HIS 128 Ca 0.23 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.41 1nxi n HIS 128 Cb 0.38 -0.06 -0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1nxi n HIS 128 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1nxi n HIS 129 N -0.71 0.00 -0.41 1.57 -0.00 -1.26 -4.96 115.22 109.44 1nxi n HIS 129 Ca 0.00 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1nxi n HIS 129 Cb 0.00 0.20 0.00 0.00 -0.12 0.00 0.00 29.99 30.07 1nxi n HIS 129 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1nxi n HIS 130 N 0.00 0.00 -2.33 1.57 1.44 -1.26 -5.05 115.22 109.59 1nxi n HIS 130 Ca -0.01 -0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.32 1nxi n HIS 130 Cb 0.14 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.23 1nxi n HIS 130 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1nxi s HIS 131 N -0.01 3.03 0.00 -1.40 2.46 -1.26 -5.23 115.29 112.89 1nxi s HIS 131 Ca 0.00 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.09 1nxi s HIS 131 Cb 0.00 -3.34 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 1nxi s HIS 131 CO 0.00 -1.26 0.00 0.72 -2.47 0.00 0.00 174.74 171.73