#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 2.28 -3.72 3.17 7.64 -1.26 -4.78 113.62 116.95 1nxi n SER 2 Ca 0.00 -1.73 -0.28 0.00 1.01 0.00 0.00 58.87 57.88 1nxi n SER 2 Cb 0.00 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 62.99 1nxi n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1nxi n HIS 3 N 0.35 2.34 -0.09 1.43 -0.00 -1.26 -5.09 115.22 112.90 1nxi n HIS 3 Ca 0.07 -4.07 0.00 0.00 0.46 0.00 0.00 57.72 54.18 1nxi n HIS 3 Cb 0.31 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 1nxi n HIS 3 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nxi n GLN 4 N 1.99 0.86 -3.40 1.57 0.00 -1.26 -5.06 117.38 112.08 1nxi n GLN 4 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 57.00 57.00 1nxi n GLN 4 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.53 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1nxi s ASP 5 N -1.17 1.97 -0.88 2.61 1.11 -1.26 -5.04 116.67 114.00 1nxi s ASP 5 Ca 0.00 -1.92 -0.00 0.00 0.18 0.00 0.00 52.55 50.81 1nxi s ASP 5 Cb 0.00 0.11 0.26 0.00 1.07 0.00 0.00 42.92 44.35 1nxi s ASP 5 CO 0.00 -0.28 0.98 0.47 1.18 0.00 0.00 175.17 177.53 1nxi n ASP 6 N 4.08 4.74 -4.53 0.27 9.92 -1.26 -5.06 116.55 124.72 1nxi n ASP 6 Ca 0.12 -3.31 -0.47 0.00 -0.53 0.00 0.00 54.79 50.61 1nxi n ASP 6 Cb 0.42 -1.00 -0.03 0.00 -0.64 0.00 0.00 41.12 39.87 1nxi n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nxi n TYR 7 N 1.57 0.73 -1.76 1.24 0.18 -1.26 -4.84 117.16 113.02 1nxi n TYR 7 Ca 0.26 0.79 -0.38 0.00 1.88 0.00 0.00 57.90 60.44 1nxi n TYR 7 Cb 0.37 -2.16 0.05 0.00 -0.38 0.00 0.00 39.34 37.21 1nxi n TYR 7 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 1nxi s LEU 8 N 1.24 3.80 -0.42 -3.48 2.34 -1.26 -4.97 118.68 115.92 1nxi s LEU 8 Ca 0.64 2.76 0.07 0.00 0.06 0.00 0.00 54.13 57.65 1nxi s LEU 8 Cb -0.81 -4.33 0.24 0.00 -0.56 0.00 0.00 46.19 40.73 1nxi s LEU 8 CO 0.57 -1.66 0.62 -1.20 -1.06 0.00 0.00 176.35 173.62 1nxi n SER 9 N -1.19 -0.87 0.32 1.48 7.64 -1.26 -4.95 113.62 114.79 1nxi n SER 9 Ca 0.11 -2.84 0.08 0.00 1.01 0.00 0.00 58.87 57.23 1nxi n SER 9 Cb 0.45 0.14 0.43 0.00 -1.01 0.00 0.00 64.21 64.22 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 2.60 0.00 -0.93 0.44 -1.51 -2.00 0.35 116.25 115.21 1nxi h VAL 10 Ca 0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.49 1nxi h VAL 10 Cb 0.93 0.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.39 1nxi h VAL 10 CO 0.40 0.00 0.54 -0.08 -1.23 0.00 0.00 177.57 177.20 1nxi h GLU 11 N 0.00 1.27 -0.36 5.19 4.81 -1.99 0.14 114.58 123.63 1nxi h GLU 11 Ca 0.01 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 1nxi h GLU 11 Cb 1.33 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1nxi h GLU 11 CO -0.00 0.90 -0.39 0.93 -0.73 0.00 0.00 179.01 179.71 1nxi h GLU 12 N 1.28 0.90 -0.38 1.92 4.39 -0.72 -1.99 114.58 119.98 1nxi h GLU 12 Ca 0.33 -0.49 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 1nxi h GLU 12 Cb -0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1nxi h GLU 12 CO -0.06 1.14 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.79 1nxi h LEU 13 N 0.71 0.71 0.80 1.33 3.38 -1.48 -2.76 115.31 118.00 1nxi h LEU 13 Ca 0.05 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1nxi h LEU 13 Cb 0.99 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1nxi h LEU 13 CO 0.10 0.90 -0.38 0.40 0.09 0.00 0.00 178.44 179.54 1nxi h ILE 14 N 0.52 0.10 -0.73 1.22 2.04 -0.71 -2.26 117.51 117.68 1nxi h ILE 14 Ca 0.10 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1nxi h ILE 14 Cb 0.58 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.67 1nxi h ILE 14 CO 0.03 0.01 -0.50 -0.08 0.00 0.00 0.00 178.15 177.61 1nxi h GLU 15 N -1.21 -0.16 -0.70 2.37 4.81 -1.41 0.37 114.58 118.65 1nxi h GLU 15 Ca -0.11 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.29 1nxi h GLU 15 Cb 0.83 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.14 1nxi h GLU 15 CO 0.18 -0.10 0.08 0.82 -0.73 0.00 0.00 179.01 179.25 1nxi h ILE 16 N -0.16 0.46 0.17 2.32 2.04 -1.45 -2.22 117.51 118.66 1nxi h ILE 16 Ca 0.18 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1nxi h ILE 16 Cb 0.53 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1nxi h ILE 16 CO -0.79 0.03 -0.22 1.56 0.00 0.00 0.00 178.15 178.73 1nxi h GLN 17 N 0.17 -0.39 -0.76 2.37 1.08 0.32 0.98 115.11 118.88 1nxi h GLN 17 Ca 0.39 0.03 0.27 0.00 -1.45 0.00 0.00 58.65 57.88 1nxi h GLN 17 Cb 0.66 0.09 -0.14 0.00 -0.05 0.00 0.00 27.48 28.04 1nxi h GLN 17 CO -0.56 -0.26 0.23 1.63 -0.95 0.00 0.00 178.83 178.92 1nxi n LYS 18 N -3.69 -0.05 0.06 1.46 5.02 -0.65 -0.95 118.16 119.36 1nxi n LYS 18 Ca -0.05 1.09 -0.03 0.00 -2.02 0.00 0.00 58.31 57.30 1nxi n LYS 18 Cb 0.19 -1.85 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 1nxi n LYS 18 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1nxi h GLU 19 N 0.00 -0.17 -0.75 1.97 4.81 -0.95 -2.62 114.58 116.87 1nxi h GLU 19 Ca 0.56 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 60.01 1nxi h GLU 19 Cb 1.37 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.64 1nxi h GLU 19 CO -0.64 -0.11 0.00 0.39 -0.73 0.00 0.00 179.01 177.92 1nxi n GLU 20 N -3.05 -0.06 0.47 1.92 -0.58 0.24 0.61 120.64 120.19 1nxi n GLU 20 Ca -0.02 1.13 -0.20 0.00 -0.42 0.00 0.00 57.16 57.66 1nxi n GLU 20 Cb 0.07 -1.79 -0.09 0.00 -0.57 0.00 0.00 31.44 29.05 1nxi n GLU 20 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1nxi h THR 21 N 0.00 0.11 -0.97 2.62 2.02 -1.16 -2.06 112.91 113.47 1nxi h THR 21 Ca 0.45 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 67.77 1nxi h THR 21 Cb 0.92 0.12 -0.17 0.00 -1.74 0.00 0.00 68.15 67.27 1nxi h THR 21 CO -0.71 0.00 -0.32 0.54 0.37 0.00 0.00 175.52 175.40 1nxi n ARG 22 N -5.59 -0.16 -0.35 6.66 1.74 0.20 0.17 116.66 119.33 1nxi n ARG 22 Ca -0.16 1.50 0.02 0.00 -0.77 0.00 0.00 57.85 58.44 1nxi n ARG 22 Cb 0.47 -2.23 0.16 0.00 -1.02 0.00 0.00 32.46 29.84 1nxi n ARG 22 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1nxi h ASP 23 N 0.00 0.96 0.17 0.55 1.82 -1.13 -0.57 116.42 118.21 1nxi h ASP 23 Ca 0.40 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 57.04 1nxi h ASP 23 Cb 0.64 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1nxi h ASP 23 CO -0.98 0.61 -0.08 0.40 -1.61 0.00 0.00 179.24 177.58 1nxi h ILE 24 N 1.09 0.00 -0.44 2.25 2.04 0.25 -2.69 117.51 120.01 1nxi h ILE 24 Ca 0.41 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 66.23 1nxi h ILE 24 Cb 0.17 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1nxi h ILE 24 CO -0.17 0.00 0.84 0.40 0.00 0.00 0.00 178.15 179.21 1nxi h ILE 25 N -0.39 0.08 0.27 -0.67 5.03 -0.69 0.17 117.51 121.32 1nxi h ILE 25 Ca -0.02 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.70 1nxi h ILE 25 Cb 0.17 0.26 0.00 0.00 -3.03 0.00 0.00 36.82 34.22 1nxi h ILE 25 CO 0.04 0.00 -0.13 1.56 -0.68 0.00 0.00 178.15 178.94 1nxi h GLN 26 N 0.00 -0.35 -0.91 2.37 1.08 -0.94 -2.01 115.11 114.34 1nxi h GLN 26 Ca 0.21 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.50 1nxi h GLN 26 Cb 1.88 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 29.33 1nxi h GLN 26 CO -0.00 -0.03 0.57 0.00 -0.95 0.00 0.00 178.83 178.42 1nxi h ALA 27 N -0.61 1.27 -0.07 3.87 0.00 -0.35 -0.50 119.26 122.88 1nxi h ALA 27 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nxi h ALA 27 Cb 0.49 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nxi h ALA 27 CO 0.06 0.33 0.04 -0.07 0.00 0.00 0.00 179.25 179.61 1nxi h LEU 28 N 1.04 0.08 -1.16 0.00 3.38 -1.41 -2.05 115.31 115.18 1nxi h LEU 28 Ca 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1nxi h LEU 28 Cb 0.19 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1nxi h LEU 28 CO -0.18 0.07 0.47 -0.07 0.09 0.00 0.00 178.44 178.82 1nxi h LEU 29 N 0.08 0.92 -1.77 1.67 -0.00 -0.69 -0.83 115.31 114.69 1nxi h LEU 29 Ca 0.02 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1nxi h LEU 29 Cb 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.42 1nxi h LEU 29 CO -0.00 0.70 0.09 -0.08 -0.00 0.00 0.00 178.44 179.15 1nxi h GLU 30 N 1.06 0.24 0.03 1.13 4.57 -0.52 -1.97 114.58 119.13 1nxi h GLU 30 Ca 0.28 -0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 58.19 1nxi h GLU 30 Cb -0.06 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1nxi h GLU 30 CO -0.05 0.19 -1.05 0.22 -1.18 0.00 0.00 179.01 177.13 1nxi h ASP 31 N 0.25 0.70 0.00 1.04 3.58 -0.51 -3.47 116.42 118.00 1nxi h ASP 31 Ca 0.06 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1nxi h ASP 31 Cb 0.02 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1nxi h ASP 31 CO -0.01 1.40 0.00 0.61 -2.88 0.00 0.00 179.24 178.36 1nxi n GLY 32 N 1.11 1.19 2.24 -0.78 0.00 -0.74 -5.10 105.19 103.11 1nxi n GLY 32 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.82 -3.80 1.61 2.88 -0.94 -4.90 113.62 104.65 1nxi n SER 33 Ca 0.00 0.24 -0.29 0.00 -1.33 0.00 0.00 58.87 57.49 1nxi n SER 33 Cb 0.00 -0.57 -0.13 0.00 -0.75 0.00 0.00 64.21 62.76 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 -0.73 3.94 0.57 -3.46 1.01 -1.26 -4.95 116.67 111.80 1nxi s ASP 34 Ca 0.33 -3.08 0.29 0.00 0.71 0.00 0.00 52.55 50.80 1nxi s ASP 34 Cb -0.21 -1.31 1.48 0.00 1.01 0.00 0.00 42.92 43.89 1nxi s ASP 34 CO 0.56 -0.20 1.92 -0.65 0.21 0.00 0.00 175.17 177.01 1nxi h PRO 35 N 6.24 0.00 0.00 8.23 0.11 -1.91 0.12 132.00 144.79 1nxi h PRO 35 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1nxi h PRO 35 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1nxi h PRO 35 CO 0.59 0.00 -0.07 0.22 -0.21 0.00 0.00 178.00 178.54 1nxi h ASP 36 N 0.00 0.00 -0.25 -2.05 3.58 -1.99 -1.37 116.42 114.35 1nxi h ASP 36 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1nxi h ASP 36 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1nxi h ASP 36 CO -0.00 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.42 1nxi n ALA 37 N -2.18 2.96 -1.49 -0.78 0.00 0.43 -5.01 120.51 114.43 1nxi n ALA 37 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.70 1nxi n ALA 37 Cb 0.22 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 0.28 -1.36 -4.24 0.00 4.77 -0.52 -4.98 117.00 110.95 1nxi n LEU 38 Ca 0.11 2.36 -0.20 0.00 -0.03 0.00 0.00 56.01 58.26 1nxi n LEU 38 Cb 0.57 -2.93 -0.12 0.00 -2.33 0.00 0.00 43.42 38.61 1nxi n LEU 38 CO 0.12 -0.78 -0.47 -0.31 -1.33 0.00 0.00 177.39 174.62 1nxi s TYR 39 N -5.13 1.48 0.03 -1.77 1.51 0.17 -4.93 117.35 108.71 1nxi s TYR 39 Ca 0.00 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1nxi s TYR 39 Cb 0.00 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1nxi s TYR 39 CO 0.00 0.16 0.01 -1.83 -1.11 0.00 0.00 175.55 172.78 1nxi s GLU 40 N -2.31 2.75 0.05 -0.62 1.03 -1.26 -0.32 118.70 118.03 1nxi s GLU 40 Ca 0.07 -0.67 0.08 0.00 0.03 0.00 0.00 54.97 54.48 1nxi s GLU 40 Cb -0.07 -2.66 -0.03 0.00 -0.80 0.00 0.00 34.13 30.57 1nxi s GLU 40 CO 0.03 0.60 -0.24 0.42 -1.33 0.00 0.00 175.26 174.75 1nxi s ILE 41 N -1.19 1.91 -0.25 1.83 -1.09 -0.74 -3.36 121.20 118.31 1nxi s ILE 41 Ca 0.22 -1.34 0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1nxi s ILE 41 Cb -0.12 -1.65 0.05 0.00 -1.58 0.00 0.00 42.46 39.17 1nxi s ILE 41 CO 0.14 0.25 -0.12 -1.83 -1.23 0.00 0.00 174.94 172.15 1nxi s GLU 42 N -1.32 2.30 -0.08 2.79 -1.05 -0.02 -2.01 118.70 119.32 1nxi s GLU 42 Ca 0.10 -1.26 -0.05 0.00 -0.15 0.00 0.00 54.97 53.60 1nxi s GLU 42 Cb -0.09 -2.83 -0.04 0.00 -0.44 0.00 0.00 34.13 30.73 1nxi s GLU 42 CO 0.02 -0.52 0.15 -1.01 0.95 0.00 0.00 175.26 174.85 1nxi s HIS 43 N 1.14 3.57 -0.14 4.83 3.76 0.08 -2.20 115.29 126.33 1nxi s HIS 43 Ca -0.07 0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 1nxi s HIS 43 Cb -0.19 -1.89 0.01 0.00 1.11 0.00 0.00 32.58 31.62 1nxi s HIS 43 CO -0.06 0.70 -0.20 -1.01 -0.85 0.00 0.00 174.74 173.32 1nxi s HIS 44 N -1.14 2.49 0.05 1.40 0.09 0.49 -1.28 115.29 117.39 1nxi s HIS 44 Ca 0.20 -1.26 0.05 0.00 -0.00 0.00 0.00 55.06 54.04 1nxi s HIS 44 Cb -0.12 -1.72 -0.03 0.00 -0.00 0.00 0.00 32.58 30.71 1nxi s HIS 44 CO 0.09 -0.60 -0.13 -0.51 -0.00 0.00 0.00 174.74 173.60 1nxi s LEU 45 N 0.91 2.23 0.10 0.89 1.02 -1.03 -3.99 118.68 118.81 1nxi s LEU 45 Ca -0.06 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.59 1nxi s LEU 45 Cb -0.15 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.51 1nxi s LEU 45 CO -0.03 -0.04 -0.10 0.72 0.02 0.00 0.00 176.35 176.92 1nxi s PHE 46 N -1.09 1.08 0.43 0.29 -0.71 -1.25 -1.56 117.98 115.17 1nxi s PHE 46 Ca -0.01 -0.67 0.04 0.00 -1.04 0.00 0.00 56.93 55.25 1nxi s PHE 46 Cb -0.09 -0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 41.11 1nxi s PHE 46 CO 0.02 0.01 0.14 0.00 -1.34 0.00 0.00 175.22 174.04 1nxi s ALA 47 N -2.54 3.04 -0.01 1.99 0.00 -0.99 -3.52 121.76 119.73 1nxi s ALA 47 Ca 0.07 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1nxi s ALA 47 Cb -0.02 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 1nxi s ALA 47 CO -0.00 -0.34 0.07 0.39 0.00 0.00 0.00 175.76 175.88 1nxi n GLU 48 N -0.96 0.47 -3.91 0.00 1.02 -1.26 -3.86 120.64 112.15 1nxi n GLU 48 Ca -0.07 -0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.75 1nxi n GLU 48 Cb 0.65 -1.08 -0.16 0.00 -0.02 0.00 0.00 31.44 30.83 1nxi n GLU 48 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nxi s ASP 49 N -2.50 3.72 0.51 1.62 2.15 -1.26 -4.96 116.67 115.94 1nxi s ASP 49 Ca -0.01 -1.13 0.02 0.00 0.43 0.00 0.00 52.55 51.86 1nxi s ASP 49 Cb 0.02 -1.09 0.11 0.00 -0.30 0.00 0.00 42.92 41.66 1nxi s ASP 49 CO 0.14 -0.25 0.95 0.15 -0.17 0.00 0.00 175.17 175.99 1nxi h PHE 50 N 8.00 0.00 0.00 -5.34 3.57 -1.99 -2.01 116.94 119.17 1nxi h PHE 50 Ca -0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1nxi h PHE 50 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1nxi h PHE 50 CO 0.47 0.00 0.00 -3.47 -2.23 0.00 0.00 178.31 173.08 1nxi n ASP 51 N -2.18 0.00 -0.15 0.41 2.03 -1.26 -2.32 116.55 113.08 1nxi n ASP 51 Ca -0.00 0.48 0.20 0.00 0.52 0.00 0.00 54.79 55.99 1nxi n ASP 51 Cb 0.84 -0.12 0.59 0.00 -0.72 0.00 0.00 41.12 41.70 1nxi n ASP 51 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1nxi h LYS 52 N 0.00 0.23 -0.08 -0.67 2.10 -1.81 -1.66 116.57 114.68 1nxi h LYS 52 Ca 0.00 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.68 1nxi h LYS 52 Cb 0.00 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 31.22 1nxi h LYS 52 CO 0.00 0.15 -0.36 1.25 -2.00 0.00 0.00 179.45 178.49 1nxi h LEU 53 N 0.24 -1.10 0.25 7.07 6.46 -1.44 0.69 115.31 127.47 1nxi h LEU 53 Ca 0.38 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 58.28 1nxi h LEU 53 Cb 1.14 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 1nxi h LEU 53 CO -0.08 -0.40 -0.12 -0.08 -0.62 0.00 0.00 178.44 177.14 1nxi h GLU 54 N -0.46 -0.32 -0.82 1.25 4.81 -0.90 0.97 114.58 119.10 1nxi h GLU 54 Ca 0.08 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.52 1nxi h GLU 54 Cb 0.59 0.07 -0.15 0.00 0.63 0.00 0.00 28.75 29.89 1nxi h GLU 54 CO -0.34 -0.08 -0.03 0.87 -0.73 0.00 0.00 179.01 178.70 1nxi h LYS 55 N -0.53 0.06 0.36 1.92 1.57 -1.12 -0.22 116.57 118.62 1nxi h LYS 55 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1nxi h LYS 55 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1nxi h LYS 55 CO 0.06 0.04 -0.17 0.00 -0.57 0.00 0.00 179.45 178.80 1nxi h ALA 56 N 1.79 -0.53 -0.78 3.86 0.00 -0.69 -2.62 119.26 120.29 1nxi h ALA 56 Ca 0.45 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.39 1nxi h ALA 56 Cb 0.81 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1nxi h ALA 56 CO -0.76 -0.50 -0.26 0.00 0.00 0.00 0.00 179.25 177.74 1nxi n ALA 57 N -2.66 0.03 0.22 0.00 0.00 0.32 0.82 120.51 119.22 1nxi n ALA 57 Ca -0.06 0.81 -0.15 0.00 0.00 0.00 0.00 53.44 54.04 1nxi n ALA 57 Cb 0.19 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 1nxi n ALA 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nxi h VAL 58 N 0.00 0.56 -0.95 0.00 2.07 -1.11 0.57 116.25 117.39 1nxi h VAL 58 Ca 0.32 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.05 1nxi h VAL 58 Cb 0.51 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 1nxi h VAL 58 CO -0.79 0.00 0.50 -0.08 0.02 0.00 0.00 177.57 177.23 1nxi h GLU 59 N -0.54 0.53 -0.24 1.57 4.22 0.81 0.49 114.58 121.42 1nxi h GLU 59 Ca -0.04 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.24 1nxi h GLU 59 Cb 0.44 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nxi h GLU 59 CO 0.04 0.35 -0.39 0.00 -2.18 0.00 0.00 179.01 176.83 1nxi h ALA 60 N 1.69 0.88 0.21 2.92 0.00 -0.11 -2.61 119.26 122.24 1nxi h ALA 60 Ca 0.58 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nxi h ALA 60 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nxi h ALA 60 CO -0.47 0.64 -0.10 0.35 0.00 0.00 0.00 179.25 179.66 1nxi h PHE 61 N 0.45 -0.26 -0.96 0.00 3.57 0.22 -2.47 116.94 117.49 1nxi h PHE 61 Ca 0.04 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1nxi h PHE 61 Cb 0.88 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.64 1nxi h PHE 61 CO 0.03 -0.10 0.61 -0.22 -2.23 0.00 0.00 178.31 176.41 1nxi h LYS 62 N -0.37 0.95 0.06 1.11 3.64 -1.14 -2.31 116.57 118.52 1nxi h LYS 62 Ca -0.03 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1nxi h LYS 62 Cb 0.29 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1nxi h LYS 62 CO 0.05 0.63 -0.43 1.98 -2.27 0.00 0.00 179.45 179.41 1nxi h MET 63 N 0.98 -0.60 0.00 1.90 4.05 -1.05 -3.45 114.93 116.76 1nxi h MET 63 Ca 0.45 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1nxi h MET 63 Cb 0.41 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1nxi h MET 63 CO -0.21 -0.40 0.00 0.41 0.23 0.00 0.00 176.91 176.94 1nxi n GLY 64 N -1.46 0.00 3.36 1.39 0.00 -0.87 -5.13 105.19 102.49 1nxi n GLY 64 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1nxi n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nxi s PHE 65 N 0.00 2.54 -1.17 1.61 0.40 -1.14 -4.87 117.98 115.35 1nxi s PHE 65 Ca 0.00 -0.44 -0.19 0.00 -0.60 0.00 0.00 56.93 55.70 1nxi s PHE 65 Cb 0.00 -1.60 0.08 0.00 0.51 0.00 0.00 43.02 42.01 1nxi s PHE 65 CO 0.00 -0.02 1.56 -2.00 0.70 0.00 0.00 175.22 175.45 1nxi s GLU 66 N -0.44 3.84 1.04 0.44 -6.30 -0.72 -4.31 118.70 112.26 1nxi s GLU 66 Ca 0.05 -1.78 -0.14 0.00 -2.50 0.00 0.00 54.97 50.59 1nxi s GLU 66 Cb -0.12 -5.37 0.12 0.00 0.00 0.00 0.00 34.13 28.76 1nxi s GLU 66 CO 0.01 -2.14 0.48 1.55 0.02 0.00 0.00 175.26 175.19 1nxi n VAL 67 N 6.24 0.00 -3.76 3.70 3.14 -1.26 -2.24 118.33 124.15 1nxi n VAL 67 Ca 0.40 -0.25 -0.13 0.00 -2.96 0.00 0.00 64.34 61.41 1nxi n VAL 67 Cb 0.47 -0.73 -0.14 0.00 -1.06 0.00 0.00 33.84 32.38 1nxi n VAL 67 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1nxi s LEU 68 N -3.00 0.85 0.95 6.55 0.20 1.08 -4.81 118.68 120.50 1nxi s LEU 68 Ca 0.60 0.34 -0.22 0.00 0.69 0.00 0.00 54.13 55.54 1nxi s LEU 68 Cb -0.19 0.46 -0.17 0.00 -0.43 0.00 0.00 46.19 45.87 1nxi s LEU 68 CO 0.65 -0.13 -1.16 -1.84 -0.29 0.00 0.00 176.35 173.59 1nxi n GLU 69 N 3.90 0.00 -4.38 1.98 0.28 -1.26 -1.60 120.64 119.56 1nxi n GLU 69 Ca -0.23 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.53 1nxi n GLU 69 Cb 0.54 -0.95 -0.09 0.00 1.43 0.00 0.00 31.44 32.37 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nxi s ALA 70 N -1.90 2.91 0.08 -1.84 0.00 -1.26 -3.82 121.76 115.94 1nxi s ALA 70 Ca 0.36 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.68 1nxi s ALA 70 Cb -0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1nxi s ALA 70 CO 0.70 0.31 -0.23 -1.83 0.00 0.00 0.00 175.76 174.71 1nxi s GLU 71 N -3.43 1.75 -0.16 0.00 1.03 -1.21 -4.81 118.70 111.87 1nxi s GLU 71 Ca 0.29 -1.16 -0.29 0.00 0.03 0.00 0.00 54.97 53.84 1nxi s GLU 71 Cb -0.06 -2.04 -0.05 0.00 -0.80 0.00 0.00 34.13 31.18 1nxi s GLU 71 CO 0.16 0.49 1.89 -1.21 -1.33 0.00 0.00 175.26 175.27 1nxi s GLU 72 N -1.73 3.68 0.00 -4.83 2.02 -1.26 -3.84 118.70 112.74 1nxi s GLU 72 Ca 0.14 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1nxi s GLU 72 Cb -0.10 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 29.96 1nxi s GLU 72 CO 0.06 -1.46 0.00 -2.37 0.02 0.00 0.00 175.26 171.51 1nxi n THR 73 N 6.61 0.00 0.00 3.63 5.66 -1.18 -5.01 114.28 123.99 1nxi n THR 73 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 1nxi n THR 73 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1nxi n THR 73 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1nxi n GLU 74 N 0.00 0.00 -0.40 1.09 0.28 -1.26 -4.22 120.64 116.13 1nxi n GLU 74 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1nxi n GLU 74 Cb 0.00 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.10 1nxi n GLU 74 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1nxi n ASP 75 N 0.00 -3.18 -1.00 -1.84 -0.08 -1.26 -4.74 116.55 104.45 1nxi n ASP 75 Ca 0.00 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.46 1nxi n ASP 75 Cb 0.00 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 42.64 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 -4.84 0.67 0.00 -0.67 -0.58 -1.26 -2.93 120.64 111.03 1nxi n GLU 76 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1nxi n GLU 76 Cb 0.49 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1nxi n ASP 77 N 0.66 0.00 0.00 1.62 9.92 -1.26 -5.09 116.55 122.40 1nxi n ASP 77 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1nxi n ASP 77 Cb 0.33 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nxi n GLY 78 N 0.46 0.64 0.00 0.44 0.00 -1.15 -5.05 105.19 100.54 1nxi n GLY 78 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 0.70 -2.72 1.61 3.02 -1.26 -4.93 115.26 111.68 1nxi n ASN 79 Ca 0.00 -0.72 -0.04 0.00 -0.03 0.00 0.00 54.58 53.79 1nxi n ASN 79 Cb 0.00 1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 1nxi n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1nxi n LYS 80 N -1.34 -3.68 -4.00 3.52 5.02 -1.26 -4.96 118.16 111.46 1nxi n LYS 80 Ca 0.02 2.84 -0.09 0.00 -2.02 0.00 0.00 58.31 59.06 1nxi n LYS 80 Cb 0.20 -3.83 -0.10 0.00 -0.02 0.00 0.00 35.03 31.27 1nxi n LYS 80 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1nxi s LEU 81 N -0.47 2.20 0.01 -0.35 2.34 -1.26 -5.00 118.68 116.15 1nxi s LEU 81 Ca -0.20 -0.64 -0.19 0.00 0.06 0.00 0.00 54.13 53.15 1nxi s LEU 81 Cb 0.01 0.25 -0.06 0.00 -0.56 0.00 0.00 46.19 45.84 1nxi s LEU 81 CO 0.54 -0.43 0.56 -0.76 -1.06 0.00 0.00 176.35 175.20 1nxi s LEU 82 N -2.03 4.44 -0.24 1.48 1.02 -1.25 -3.12 118.68 118.98 1nxi s LEU 82 Ca -0.07 1.14 -0.00 0.00 0.02 0.00 0.00 54.13 55.22 1nxi s LEU 82 Cb -0.03 -2.86 0.07 0.00 0.02 0.00 0.00 46.19 43.39 1nxi s LEU 82 CO -0.04 0.16 -0.00 0.00 0.02 0.00 0.00 176.35 176.48 1nxi s PHE 84 N 1.50 3.14 0.22 0.00 -0.71 -0.60 -3.33 117.98 118.20 1nxi s PHE 84 Ca -0.01 0.14 0.11 0.00 -1.04 0.00 0.00 56.93 56.12 1nxi s PHE 84 Cb -0.18 -2.36 -0.05 0.00 -1.21 0.00 0.00 43.02 39.23 1nxi s PHE 84 CO -0.09 -0.41 -0.20 -0.51 -1.34 0.00 0.00 175.22 172.66 1nxi s ASP 85 N -4.25 3.24 -0.03 1.98 1.11 -0.63 -2.48 116.67 115.61 1nxi s ASP 85 Ca 0.50 -0.94 -0.02 0.00 0.18 0.00 0.00 52.55 52.26 1nxi s ASP 85 Cb -0.10 -0.24 0.01 0.00 1.07 0.00 0.00 42.92 43.67 1nxi s ASP 85 CO 0.37 0.03 0.08 0.00 1.18 0.00 0.00 175.17 176.84 1nxi s ALA 86 N -2.16 -0.17 0.22 5.23 0.00 -0.40 0.35 121.76 124.82 1nxi s ALA 86 Ca 0.23 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.56 1nxi s ALA 86 Cb -0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1nxi s ALA 86 CO 0.11 -0.06 0.06 0.95 0.00 0.00 0.00 175.76 176.81 1nxi s THR 87 N 0.32 3.89 -0.26 0.00 -4.23 -0.95 -0.74 115.64 113.66 1nxi s THR 87 Ca -0.02 -1.55 -0.06 0.00 -1.18 0.00 0.00 61.69 58.88 1nxi s THR 87 Cb -0.03 -3.04 0.13 0.00 1.34 0.00 0.00 72.50 70.90 1nxi s THR 87 CO -0.01 -0.26 0.51 -0.32 -0.54 0.00 0.00 174.62 174.00 1nxi s MET 88 N -3.42 0.45 0.19 3.99 1.75 -0.85 -1.75 119.30 119.65 1nxi s MET 88 Ca 0.30 1.03 -0.30 0.00 -1.25 0.00 0.00 55.69 55.48 1nxi s MET 88 Cb -0.08 0.35 -0.08 0.00 2.84 0.00 0.00 34.83 37.86 1nxi s MET 88 CO 0.21 -0.40 1.01 -0.65 -0.65 0.00 0.00 175.02 174.54 1nxi s GLN 89 N 2.73 4.71 -0.10 4.11 -0.21 -1.26 -1.79 119.66 127.85 1nxi s GLN 89 Ca 0.05 1.58 -0.30 0.00 0.02 0.00 0.00 55.36 56.71 1nxi s GLN 89 Cb -0.13 -3.30 0.12 0.00 1.00 0.00 0.00 33.01 30.70 1nxi s GLN 89 CO -0.17 0.26 0.99 -1.54 -2.12 0.00 0.00 175.29 172.71 1nxi s SER 90 N -0.48 -0.33 1.18 5.90 1.04 0.57 -4.97 113.70 116.61 1nxi s SER 90 Ca 0.46 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.90 1nxi s SER 90 Cb -0.27 0.31 0.29 0.00 0.10 0.00 0.00 66.02 66.45 1nxi s SER 90 CO 0.33 -0.45 1.02 0.00 0.98 0.00 0.00 173.24 175.13 1nxi s ALA 91 N -2.24 -0.41 -0.84 5.32 0.00 -1.26 -0.66 121.76 121.67 1nxi s ALA 91 Ca 0.03 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 1nxi s ALA 91 Cb -0.01 -3.19 0.14 0.00 0.00 0.00 0.00 23.12 20.06 1nxi s ALA 91 CO -0.04 -3.85 0.98 -1.17 0.00 0.00 0.00 175.76 171.68 1nxi s LEU 92 N -7.20 5.41 -0.20 0.00 2.96 -1.26 -4.63 118.68 113.75 1nxi s LEU 92 Ca 0.68 -2.01 -0.09 0.00 -0.22 0.00 0.00 54.13 52.48 1nxi s LEU 92 Cb -0.23 -2.35 0.08 0.00 0.50 0.00 0.00 46.19 44.19 1nxi s LEU 92 CO 0.63 -1.00 0.46 -1.81 -1.32 0.00 0.00 176.35 173.32 1nxi s ASP 93 N 3.33 -0.52 0.09 3.68 1.01 -1.26 -4.94 116.67 118.06 1nxi s ASP 93 Ca 0.26 1.04 -0.27 0.00 0.71 0.00 0.00 52.55 54.29 1nxi s ASP 93 Cb -0.10 1.12 -0.11 0.00 1.01 0.00 0.00 42.92 44.84 1nxi s ASP 93 CO -0.06 -0.21 1.44 0.00 0.21 0.00 0.00 175.17 176.55 1nxi h ALA 94 N 7.49 -0.83 -0.75 5.23 0.00 -1.96 -0.48 119.26 127.96 1nxi h ALA 94 Ca -0.28 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.76 1nxi h ALA 94 Cb 1.16 0.90 -0.14 0.00 0.00 0.00 0.00 17.79 19.71 1nxi h ALA 94 CO 0.21 -0.98 -0.06 1.63 0.00 0.00 0.00 179.25 180.06 1nxi n LYS 95 N -4.86 -0.06 0.00 0.00 5.02 -1.26 -0.29 118.16 116.72 1nxi n LYS 95 Ca -0.05 1.14 -0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1nxi n LYS 95 Cb 0.31 -1.77 -0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1nxi n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nxi h LEU 96 N 0.00 -0.01 -0.74 -0.35 4.07 -1.50 -2.04 115.31 114.74 1nxi h LEU 96 Ca 0.42 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.53 1nxi h LEU 96 Cb 0.79 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1nxi h LEU 96 CO -0.73 -0.01 1.02 0.40 -1.08 0.00 0.00 178.44 178.05 1nxi h ILE 97 N -0.01 0.02 -0.02 1.22 2.04 -0.36 1.18 117.51 121.58 1nxi h ILE 97 Ca -0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 1nxi h ILE 97 Cb 0.01 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1nxi h ILE 97 CO 0.00 0.00 -0.42 0.44 0.00 0.00 0.00 178.15 178.17 1nxi h ASP 98 N 0.00 0.40 -0.33 1.72 3.32 -0.10 -2.16 116.42 119.27 1nxi h ASP 98 Ca 0.24 -0.74 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 1nxi h ASP 98 Cb 2.28 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 41.70 1nxi h ASP 98 CO -0.00 1.09 0.05 -0.33 -1.72 0.00 0.00 179.24 178.33 1nxi h GLU 99 N -0.25 0.54 0.88 3.56 4.39 0.21 0.17 114.58 124.07 1nxi h GLU 99 Ca -0.05 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1nxi h GLU 99 Cb 1.14 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1nxi h GLU 99 CO 0.08 0.63 -0.42 1.96 -1.16 0.00 0.00 179.01 180.10 1nxi h GLN 100 N 0.37 -1.13 -0.44 2.33 4.20 -1.46 -1.59 115.11 117.38 1nxi h GLN 100 Ca 0.10 0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.95 1nxi h GLN 100 Cb 0.35 0.26 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 1nxi h GLN 100 CO 0.01 -0.76 0.12 0.28 -0.67 0.00 0.00 178.83 177.81 1nxi h VAL 101 N -1.18 0.81 -1.00 -0.54 2.07 -1.42 0.62 116.25 115.61 1nxi h VAL 101 Ca -0.12 -0.09 0.25 0.00 0.82 0.00 0.00 66.70 67.56 1nxi h VAL 101 Cb 0.90 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 1nxi h VAL 101 CO 0.20 0.05 0.66 -0.08 0.02 0.00 0.00 177.57 178.42 1nxi h GLU 102 N 0.27 0.34 0.34 1.57 4.22 -0.54 0.10 114.58 120.89 1nxi h GLU 102 Ca 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.62 1nxi h GLU 102 Cb 0.24 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nxi h GLU 102 CO -0.25 0.22 -0.16 0.87 -2.18 0.00 0.00 179.01 177.51 1nxi h LYS 103 N 0.35 -0.44 -0.13 1.92 6.56 0.14 -2.44 116.57 122.52 1nxi h LYS 103 Ca 0.54 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 60.20 1nxi h LYS 103 Cb 1.46 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.22 1nxi h LYS 103 CO -0.22 -0.12 0.27 -0.07 -2.06 0.00 0.00 179.45 177.25 1nxi h LEU 104 N -0.93 0.00 0.08 2.94 3.38 -0.59 -0.80 115.31 119.39 1nxi h LEU 104 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nxi h LEU 104 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1nxi h LEU 104 CO 0.08 0.00 -0.04 0.58 0.09 0.00 0.00 178.44 179.15 1nxi h VAL 105 N 0.00 1.15 -0.82 1.22 2.07 -0.61 -0.93 116.25 118.33 1nxi h VAL 105 Ca 0.06 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 1nxi h VAL 105 Cb 0.60 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1nxi h VAL 105 CO -0.00 0.32 0.34 0.78 0.02 0.00 0.00 177.57 179.03 1nxi h ASN 106 N -0.81 1.11 0.41 0.57 2.35 -0.82 -2.60 115.58 115.80 1nxi h ASN 106 Ca -0.01 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1nxi h ASN 106 Cb 0.60 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1nxi h ASN 106 CO 0.02 0.97 -0.20 0.25 -1.65 0.00 0.00 177.43 176.82 1nxi h LEU 107 N 1.18 -0.47 -0.69 1.61 5.85 -1.25 0.81 115.31 122.35 1nxi h LEU 107 Ca 0.27 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1nxi h LEU 107 Cb 0.19 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 1nxi h LEU 107 CO -0.03 -0.13 -0.38 0.00 -0.34 0.00 0.00 178.44 177.57 1nxi h ALA 108 N -0.43 -0.09 0.00 1.25 0.00 -1.09 0.66 119.26 119.56 1nxi h ALA 108 Ca -0.06 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1nxi h ALA 108 Cb 0.55 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1nxi h ALA 108 CO 0.09 -0.72 -0.32 0.93 0.00 0.00 0.00 179.25 179.24 1nxi h GLU 109 N -0.14 0.00 -0.42 0.00 4.39 -1.45 -1.64 114.58 115.31 1nxi h GLU 109 Ca 0.24 0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.00 1nxi h GLU 109 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1nxi h GLU 109 CO -0.76 0.32 0.28 -0.22 -1.16 0.00 0.00 179.01 177.48 1nxi h LYS 110 N 0.00 0.32 0.00 2.33 3.64 0.29 -3.35 116.57 119.80 1nxi h LYS 110 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nxi h LYS 110 Cb 0.62 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1nxi h LYS 110 CO 0.04 0.21 0.00 1.19 -2.27 0.00 0.00 179.45 178.63 1nxi n PHE 111 N -4.48 0.00 0.00 1.91 3.72 -0.82 -5.05 117.46 112.75 1nxi n PHE 111 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1nxi n PHE 111 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.00 0.00 -4.63 4.37 8.00 -0.68 -5.09 116.55 116.52 1nxi n ASP 112 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1nxi n ASP 112 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1nxi s ILE 113 N 0.00 2.43 -0.08 0.53 -4.36 -0.80 -4.73 121.20 114.19 1nxi s ILE 113 Ca 0.00 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1nxi s ILE 113 Cb 0.00 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 1nxi s ILE 113 CO 0.00 -0.15 -0.11 -0.51 0.24 0.00 0.00 174.94 174.41 1nxi s ILE 114 N -2.57 3.29 -0.40 8.37 2.07 -1.23 -4.00 121.20 126.73 1nxi s ILE 114 Ca 0.35 -0.62 -0.12 0.00 -1.41 0.00 0.00 60.65 58.86 1nxi s ILE 114 Cb 0.02 -2.34 0.04 0.00 0.13 0.00 0.00 42.46 40.31 1nxi s ILE 114 CO 0.19 0.57 0.26 -0.47 -1.91 0.00 0.00 174.94 173.58 1nxi s TYR 115 N -0.40 3.26 -0.44 3.50 5.04 -1.26 -3.82 117.35 123.22 1nxi s TYR 115 Ca 0.05 -0.99 0.05 0.00 -2.44 0.00 0.00 57.07 53.75 1nxi s TYR 115 Cb -0.12 -2.64 0.17 0.00 0.35 0.00 0.00 41.96 39.72 1nxi s TYR 115 CO 0.02 -0.69 0.51 0.34 -1.34 0.00 0.00 175.55 174.39 1nxi s ASP 116 N 1.80 0.16 0.00 4.32 2.15 -1.26 -5.04 116.67 118.80 1nxi s ASP 116 Ca 0.03 -2.17 0.00 0.00 0.43 0.00 0.00 52.55 50.84 1nxi s ASP 116 Cb -0.20 0.75 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 1nxi s ASP 116 CO 0.07 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 1nxi n GLY 117 N 3.23 -0.97 3.10 2.66 0.00 -1.26 -4.93 105.19 107.02 1nxi n GLY 117 Ca 0.21 0.72 -0.23 0.00 0.00 0.00 0.00 46.02 46.71 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 1.36 0.20 1.61 1.48 -1.26 -0.38 118.94 121.94 1nxi s TRP 118 Ca 0.00 -0.31 -0.15 0.00 -1.06 0.00 0.00 56.10 54.58 1nxi s TRP 118 Cb 0.00 -0.90 0.02 0.00 -1.16 0.00 0.00 33.47 31.43 1nxi s TRP 118 CO 0.00 -0.07 0.47 0.20 -4.06 0.00 0.00 176.95 173.49 1nxi s GLY 119 N -0.15 0.09 0.25 3.67 0.00 -0.93 -5.01 107.32 105.24 1nxi s GLY 119 Ca 0.02 -0.43 0.11 0.00 0.00 0.00 0.00 44.72 44.42 1nxi s GLY 119 CO 0.00 -0.42 -0.20 -1.08 0.00 0.00 0.00 173.10 171.41 1nxi s THR 120 N -3.91 2.35 -0.13 0.90 -1.32 -1.26 -0.84 115.64 111.43 1nxi s THR 120 Ca 0.12 -2.31 -0.17 0.00 -1.21 0.00 0.00 61.69 58.12 1nxi s THR 120 Cb -0.00 -2.23 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 1nxi s THR 120 CO -0.01 -0.37 0.42 -0.47 -2.21 0.00 0.00 174.62 171.98 1nxi s TYR 121 N -2.41 3.49 -0.06 9.09 6.14 -1.21 -4.97 117.35 127.43 1nxi s TYR 121 Ca 0.27 0.79 -0.30 0.00 0.64 0.00 0.00 57.07 58.47 1nxi s TYR 121 Cb -0.05 -2.48 -0.05 0.00 0.42 0.00 0.00 41.96 39.80 1nxi s TYR 121 CO 0.13 0.19 1.53 -0.47 0.64 0.00 0.00 175.55 177.56 1nxi s TYR 122 N 0.59 2.35 -1.43 4.97 6.14 -1.26 -4.79 117.35 123.92 1nxi s TYR 122 Ca 0.23 0.49 -0.15 0.00 0.64 0.00 0.00 57.07 58.28 1nxi s TYR 122 Cb -0.14 -3.79 0.05 0.00 0.42 0.00 0.00 41.96 38.50 1nxi s TYR 122 CO 0.08 -3.15 2.15 0.39 0.64 0.00 0.00 175.55 175.67 1nxi n GLU 123 N 6.57 2.91 0.00 4.97 -0.58 -1.26 -4.31 120.64 128.94 1nxi n GLU 123 Ca 0.16 -2.71 0.00 0.00 -0.42 0.00 0.00 57.16 54.19 1nxi n GLU 123 Cb 0.43 -3.32 0.00 0.00 -0.57 0.00 0.00 31.44 27.99 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nxi n GLY 124 N 4.27 -1.88 2.49 0.62 0.00 -1.26 -4.98 105.19 104.45 1nxi n GLY 124 Ca 0.51 0.88 -0.27 0.00 0.00 0.00 0.00 46.02 47.14 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 0.88 -4.62 0.99 4.77 -1.26 -5.10 117.00 112.66 1nxi n LEU 125 Ca 0.00 -4.73 -0.28 0.00 -0.03 0.00 0.00 56.01 50.97 1nxi n LEU 125 Cb 0.00 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1nxi n LEU 125 CO 0.00 1.88 -0.27 -1.61 -1.33 0.00 0.00 177.39 176.07 1nxi s GLU 126 N -0.75 1.97 -0.89 3.23 0.41 -1.26 -5.03 118.70 116.38 1nxi s GLU 126 Ca 0.32 -2.17 -0.25 0.00 -0.41 0.00 0.00 54.97 52.46 1nxi s GLU 126 Cb 0.05 -1.37 -0.08 0.00 -1.78 0.00 0.00 34.13 30.95 1nxi s GLU 126 CO -0.16 -0.21 2.07 -3.38 -0.49 0.00 0.00 175.26 173.09 1nxi s HIS 127 N -2.91 1.63 0.11 1.61 -3.43 -1.26 -4.80 115.29 106.24 1nxi s HIS 127 Ca 0.26 1.02 0.00 0.00 -0.80 0.00 0.00 55.06 55.54 1nxi s HIS 127 Cb 0.07 -3.86 0.00 0.00 -1.43 0.00 0.00 32.58 27.35 1nxi s HIS 127 CO 0.13 -1.64 0.00 0.72 -2.00 0.00 0.00 174.74 171.95 1nxi n HIS 128 N 15.38 -2.52 0.00 0.38 8.25 -1.26 -4.73 115.22 130.72 1nxi n HIS 128 Ca 0.42 0.61 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 1nxi n HIS 128 Cb 0.46 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.45 1nxi n HIS 128 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1nxi n HIS 129 N -1.77 0.00 -2.64 4.41 -0.00 -1.26 -5.00 115.22 108.95 1nxi n HIS 129 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1nxi n HIS 129 Cb 0.22 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.07 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 -0.54 -0.22 0.00 1.57 -0.00 -1.26 -5.02 115.22 109.75 1nxi n HIS 130 Ca 0.00 -0.59 0.00 0.00 0.46 0.00 0.00 57.72 57.59 1nxi n HIS 130 Cb 0.00 1.10 0.00 0.00 -0.12 0.00 0.00 29.99 30.97 1nxi n HIS 130 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1nxi n HIS 131 N -0.48 -1.17 0.85 1.57 -0.00 -1.26 -5.32 115.22 109.41 1nxi n HIS 131 Ca -0.27 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.01 1nxi n HIS 131 Cb 0.62 0.28 0.08 0.00 -0.12 0.00 0.00 29.99 30.86 1nxi n HIS 131 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52