#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 3.87 -4.61 6.12 2.88 -1.26 -4.91 113.62 115.71 1nxi n SER 2 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1nxi n SER 2 Cb 0.00 0.71 -0.10 0.00 -0.75 0.00 0.00 64.21 64.07 1nxi n SER 2 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1nxi s HIS 3 N -1.59 3.24 -0.70 0.66 5.65 -1.26 -4.62 115.29 116.67 1nxi s HIS 3 Ca 0.00 0.03 -0.02 0.00 0.25 0.00 0.00 55.06 55.32 1nxi s HIS 3 Cb 0.00 -2.16 0.00 0.00 -1.18 0.00 0.00 32.58 29.24 1nxi s HIS 3 CO 0.00 0.04 0.69 1.04 -0.65 0.00 0.00 174.74 175.85 1nxi n GLN 4 N 4.01 -1.46 -3.71 2.88 1.13 -1.26 -5.03 117.38 113.94 1nxi n GLN 4 Ca -0.16 1.55 -0.15 0.00 -1.94 0.00 0.00 57.00 56.30 1nxi n GLN 4 Cb 0.52 -5.65 -0.15 0.00 0.11 0.00 0.00 30.24 25.07 1nxi n GLN 4 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1nxi s ASP 5 N -2.95 0.27 0.00 1.08 -1.08 -1.26 -4.77 116.67 107.96 1nxi s ASP 5 Ca 0.03 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.39 1nxi s ASP 5 Cb -0.01 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 1nxi s ASP 5 CO 0.76 -0.19 0.00 -0.90 0.52 0.00 0.00 175.17 175.35 1nxi n ASP 6 N 4.73 0.00 -3.75 -0.34 5.68 -1.26 -5.07 116.55 116.54 1nxi n ASP 6 Ca -0.16 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.99 1nxi n ASP 6 Cb 0.51 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.42 1nxi n ASP 6 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1nxi s TYR 7 N -0.02 1.05 -0.39 2.11 1.51 -1.26 -5.12 117.35 115.23 1nxi s TYR 7 Ca 0.00 -1.26 0.04 0.00 -1.01 0.00 0.00 57.07 54.84 1nxi s TYR 7 Cb 0.00 -0.29 0.11 0.00 -0.11 0.00 0.00 41.96 41.67 1nxi s TYR 7 CO 0.00 -0.89 0.11 -0.51 -1.11 0.00 0.00 175.55 173.15 1nxi s LEU 8 N -3.18 4.66 0.10 -1.29 1.43 -1.26 -4.87 118.68 114.27 1nxi s LEU 8 Ca 0.33 -2.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.04 1nxi s LEU 8 Cb 0.02 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1nxi s LEU 8 CO 0.16 -0.34 0.00 -1.20 0.23 0.00 0.00 176.35 175.20 1nxi n SER 9 N 3.94 -0.71 -0.55 2.29 7.64 -1.26 -4.80 113.62 120.17 1nxi n SER 9 Ca 0.04 0.19 0.45 0.00 1.01 0.00 0.00 58.87 60.55 1nxi n SER 9 Cb 0.39 0.94 0.75 0.00 -1.01 0.00 0.00 64.21 65.29 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 0.00 0.12 0.00 0.44 2.07 -2.01 2.19 116.25 119.06 1nxi h VAL 10 Ca 0.00 -0.01 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 1nxi h VAL 10 Cb 0.00 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1nxi h VAL 10 CO 0.00 0.01 -0.85 1.05 0.02 0.00 0.00 177.57 177.80 1nxi h GLU 11 N 0.03 0.02 -0.11 1.57 -0.00 -1.93 -3.18 114.58 110.98 1nxi h GLU 11 Ca 0.83 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 60.15 1nxi h GLU 11 Cb 3.09 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 31.85 1nxi h GLU 11 CO -0.14 0.86 -0.00 0.93 -0.00 0.00 0.00 179.01 180.65 1nxi h GLU 12 N 0.01 0.20 -0.60 1.06 4.39 0.33 -2.52 114.58 117.45 1nxi h GLU 12 Ca -0.01 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.71 1nxi h GLU 12 Cb 1.50 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.10 1nxi h GLU 12 CO 0.11 0.46 0.40 -0.07 -1.16 0.00 0.00 179.01 178.75 1nxi h LEU 13 N -0.08 0.40 0.09 1.33 3.38 -1.51 -2.00 115.31 116.92 1nxi h LEU 13 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1nxi h LEU 13 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1nxi h LEU 13 CO 0.01 0.25 -0.04 0.40 0.09 0.00 0.00 178.44 179.14 1nxi h ILE 14 N 0.45 1.07 0.14 1.22 2.04 -1.47 0.11 117.51 121.07 1nxi h ILE 14 Ca 0.27 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1nxi h ILE 14 Cb 0.48 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1nxi h ILE 14 CO -0.08 0.15 -0.37 -0.33 0.00 0.00 0.00 178.15 177.53 1nxi h GLU 15 N -0.41 -0.55 -0.61 2.37 4.39 -0.96 0.73 114.58 119.54 1nxi h GLU 15 Ca -0.01 0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1nxi h GLU 15 Cb 0.34 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1nxi h GLU 15 CO 0.02 -0.36 0.23 0.82 -1.16 0.00 0.00 179.01 178.56 1nxi h ILE 16 N -0.57 0.77 0.00 3.13 5.03 -1.50 0.41 117.51 124.78 1nxi h ILE 16 Ca -0.01 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 1nxi h ILE 16 Cb 0.55 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 1nxi h ILE 16 CO -0.17 0.08 0.05 -0.61 -0.68 0.00 0.00 178.15 176.82 1nxi h GLN 17 N 0.41 0.00 0.00 2.37 5.75 -0.03 -2.17 115.11 121.45 1nxi h GLN 17 Ca 0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 1nxi h GLN 17 Cb 0.38 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1nxi h GLN 17 CO -0.31 0.00 -0.17 0.87 -2.65 0.00 0.00 178.83 176.57 1nxi h LYS 18 N 0.00 0.00 -1.05 1.69 1.57 0.22 -2.64 116.57 116.36 1nxi h LYS 18 Ca 0.00 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.05 1nxi h LYS 18 Cb 0.10 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.32 1nxi h LYS 18 CO 0.00 0.00 0.68 0.93 -0.57 0.00 0.00 179.45 180.49 1nxi h GLU 19 N -0.96 0.36 0.09 3.15 4.39 -1.23 0.13 114.58 120.51 1nxi h GLU 19 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1nxi h GLU 19 Cb 0.17 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1nxi h GLU 19 CO 0.00 0.24 -0.04 1.49 -1.16 0.00 0.00 179.01 179.54 1nxi h GLU 20 N 0.37 -0.11 -0.57 2.33 4.57 -1.52 -2.69 114.58 116.97 1nxi h GLU 20 Ca 0.60 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.92 1nxi h GLU 20 Cb 1.55 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.13 1nxi h GLU 20 CO -0.29 0.34 0.39 1.15 -1.18 0.00 0.00 179.01 179.43 1nxi h THR 21 N -0.62 0.80 -0.10 0.32 2.02 -0.66 -1.32 112.91 113.35 1nxi h THR 21 Ca -0.01 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1nxi h THR 21 Cb 0.51 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1nxi h THR 21 CO 0.02 0.03 -0.03 0.03 0.37 0.00 0.00 175.52 175.95 1nxi h ARG 22 N 0.19 0.19 -0.13 6.66 2.47 -0.94 -1.54 114.38 121.28 1nxi h ARG 22 Ca 0.27 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.94 1nxi h ARG 22 Cb 0.81 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 1nxi h ARG 22 CO -0.05 0.51 0.01 -0.44 0.56 0.00 0.00 179.97 180.56 1nxi h ASP 23 N -0.14 -0.03 0.65 7.04 5.19 -0.93 -1.55 116.42 126.66 1nxi h ASP 23 Ca 0.02 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1nxi h ASP 23 Cb 0.44 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1nxi h ASP 23 CO 0.01 0.01 -0.39 0.40 -3.12 0.00 0.00 179.24 176.15 1nxi h ILE 24 N 0.06 0.21 -0.42 0.35 2.04 -1.37 -1.98 117.51 116.40 1nxi h ILE 24 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1nxi h ILE 24 Cb 0.06 0.21 -0.09 0.00 -0.74 0.00 0.00 36.82 36.27 1nxi h ILE 24 CO -0.09 0.00 -0.53 0.40 0.00 0.00 0.00 178.15 177.93 1nxi h ILE 25 N -0.98 0.02 -0.99 -0.67 5.03 -1.15 0.38 117.51 119.15 1nxi h ILE 25 Ca -0.08 0.00 0.27 0.00 -0.12 0.00 0.00 64.86 64.92 1nxi h ILE 25 Cb 0.78 0.02 -0.13 0.00 -3.03 0.00 0.00 36.82 34.47 1nxi h ILE 25 CO 0.09 0.00 0.56 1.56 -0.68 0.00 0.00 178.15 179.69 1nxi h GLN 26 N -0.38 0.47 0.22 2.37 1.08 -1.16 -1.14 115.11 116.57 1nxi h GLN 26 Ca 0.09 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1nxi h GLN 26 Cb 0.59 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1nxi h GLN 26 CO -0.60 0.31 -0.11 0.00 -0.95 0.00 0.00 178.83 177.48 1nxi h ALA 27 N 1.77 -0.66 -0.94 3.87 0.00 0.42 -2.19 119.26 121.53 1nxi h ALA 27 Ca 0.66 -0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.89 1nxi h ALA 27 Cb 1.35 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.09 1nxi h ALA 27 CO -0.52 -0.64 0.52 1.28 0.00 0.00 0.00 179.25 179.89 1nxi n LEU 28 N -3.23 0.30 0.24 0.00 4.77 0.18 -0.43 117.00 118.84 1nxi n LEU 28 Ca -0.04 1.47 -0.10 0.00 -0.03 0.00 0.00 56.01 57.32 1nxi n LEU 28 Cb 0.12 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1nxi n LEU 28 CO 0.09 -1.65 0.37 0.25 -1.33 0.00 0.00 177.39 175.12 1nxi h LEU 29 N 0.00 -0.54 -1.92 2.23 7.12 -1.16 -2.72 115.31 118.32 1nxi h LEU 29 Ca 0.77 0.02 0.50 0.00 0.13 0.00 0.00 57.88 59.30 1nxi h LEU 29 Cb 2.08 0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 42.27 1nxi h LEU 29 CO -0.67 -0.29 1.21 -0.08 -0.13 0.00 0.00 178.44 178.49 1nxi h GLU 30 N -0.84 0.01 0.00 1.25 4.22 -0.08 4.14 114.58 123.28 1nxi h GLU 30 Ca -0.07 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1nxi h GLU 30 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1nxi h GLU 30 CO 0.11 0.01 0.00 0.22 -2.18 0.00 0.00 179.01 177.17 1nxi h ASP 31 N 0.01 0.00 -0.27 1.04 3.58 -0.97 -3.46 116.42 116.35 1nxi h ASP 31 Ca 0.84 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.29 1nxi h ASP 31 Cb 3.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 44.31 1nxi h ASP 31 CO -0.07 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.90 1nxi n GLY 32 N 0.04 0.90 0.29 -0.78 0.00 1.36 -4.94 105.19 102.06 1nxi n GLY 32 Ca 0.01 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1nxi n GLY 32 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nxi h SER 33 N 0.00 0.00 -5.30 1.61 4.64 -1.59 -3.47 113.55 109.44 1nxi h SER 33 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1nxi h SER 33 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1nxi h SER 33 CO 0.00 0.03 -0.93 0.47 -0.87 0.00 0.00 176.83 175.52 1nxi n ASP 34 N -3.83 -7.87 0.00 4.97 8.00 -1.26 -4.73 116.55 111.82 1nxi n ASP 34 Ca -0.03 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1nxi n ASP 34 Cb 0.11 -4.97 0.00 0.00 -0.02 0.00 0.00 41.12 36.25 1nxi n ASP 34 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1nxi n PRO 35 N 0.60 0.00 0.21 -0.24 -0.02 -1.26 -2.43 135.00 131.86 1nxi n PRO 35 Ca 0.02 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.61 1nxi n PRO 35 Cb 0.12 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.58 1nxi n PRO 35 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nxi h ASP 36 N 0.00 0.00 -0.20 2.55 3.32 -2.01 -1.71 116.42 118.37 1nxi h ASP 36 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1nxi h ASP 36 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1nxi h ASP 36 CO 0.00 0.26 0.07 0.00 -1.72 0.00 0.00 179.24 177.85 1nxi n ALA 37 N -2.44 3.07 -1.34 3.45 0.00 -1.02 -5.00 120.51 117.23 1nxi n ALA 37 Ca -0.02 -0.63 0.16 0.00 0.00 0.00 0.00 53.44 52.95 1nxi n ALA 37 Cb 0.32 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 0.12 -0.85 -4.24 0.00 4.77 -0.64 -4.95 117.00 111.21 1nxi n LEU 38 Ca 0.11 1.98 -0.18 0.00 -0.03 0.00 0.00 56.01 57.89 1nxi n LEU 38 Cb 0.63 -3.48 -0.11 0.00 -2.33 0.00 0.00 43.42 38.14 1nxi n LEU 38 CO 0.12 -2.18 -0.45 -0.31 -1.33 0.00 0.00 177.39 173.24 1nxi s TYR 39 N -3.96 1.38 -0.23 -1.77 1.51 0.50 -4.91 117.35 109.87 1nxi s TYR 39 Ca 0.00 -0.57 -0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1nxi s TYR 39 Cb 0.00 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.10 1nxi s TYR 39 CO 0.00 0.14 0.05 -2.00 -1.11 0.00 0.00 175.55 172.63 1nxi s GLU 40 N -2.72 3.70 -0.06 -0.62 2.12 -1.26 -1.03 118.70 118.83 1nxi s GLU 40 Ca 0.09 -0.46 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 1nxi s GLU 40 Cb -0.04 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1nxi s GLU 40 CO 0.03 -0.07 0.18 0.42 -0.54 0.00 0.00 175.26 175.28 1nxi s ILE 41 N 1.28 5.44 -0.01 -3.70 -1.09 -0.52 -2.96 121.20 119.64 1nxi s ILE 41 Ca 0.05 0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1nxi s ILE 41 Cb -0.15 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1nxi s ILE 41 CO 0.03 0.47 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.42 1nxi s GLU 42 N -1.50 0.74 0.14 2.79 2.12 0.32 -2.14 118.70 121.17 1nxi s GLU 42 Ca 0.22 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.28 1nxi s GLU 42 Cb -0.13 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.51 1nxi s GLU 42 CO 0.12 0.18 -0.10 -1.01 -0.54 0.00 0.00 175.26 173.90 1nxi s HIS 43 N -0.15 1.23 -0.07 5.30 3.76 -0.47 -0.91 115.29 123.98 1nxi s HIS 43 Ca 0.03 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.18 1nxi s HIS 43 Cb -0.04 -0.63 0.03 0.00 1.11 0.00 0.00 32.58 33.04 1nxi s HIS 43 CO -0.00 0.07 -0.02 -1.01 -0.85 0.00 0.00 174.74 172.93 1nxi s HIS 44 N -3.20 0.76 0.10 1.40 3.76 0.38 -1.57 115.29 116.92 1nxi s HIS 44 Ca 0.15 -0.23 0.07 0.00 -0.15 0.00 0.00 55.06 54.89 1nxi s HIS 44 Cb 0.02 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1nxi s HIS 44 CO 0.00 -0.32 -0.17 -0.51 -0.85 0.00 0.00 174.74 172.90 1nxi s LEU 45 N 1.73 2.32 0.15 0.89 1.02 -1.05 -3.71 118.68 120.02 1nxi s LEU 45 Ca 0.02 -0.69 0.04 0.00 0.02 0.00 0.00 54.13 53.52 1nxi s LEU 45 Cb -0.13 -0.67 -0.05 0.00 0.02 0.00 0.00 46.19 45.36 1nxi s LEU 45 CO -0.04 -0.04 -0.08 0.72 0.02 0.00 0.00 176.35 176.93 1nxi s PHE 46 N -1.42 1.26 0.15 0.29 -0.71 -1.25 -1.68 117.98 114.62 1nxi s PHE 46 Ca 0.04 -0.82 -0.09 0.00 -1.04 0.00 0.00 56.93 55.02 1nxi s PHE 46 Cb -0.09 -0.67 -0.00 0.00 -1.21 0.00 0.00 43.02 41.05 1nxi s PHE 46 CO 0.03 0.02 0.28 0.00 -1.34 0.00 0.00 175.22 174.21 1nxi s ALA 47 N -3.40 -0.10 -1.11 1.99 0.00 -0.99 -3.63 121.76 114.52 1nxi s ALA 47 Ca 0.18 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1nxi s ALA 47 Cb 0.04 0.80 0.05 0.00 0.00 0.00 0.00 23.12 24.00 1nxi s ALA 47 CO 0.01 -0.63 0.74 0.39 0.00 0.00 0.00 175.76 176.27 1nxi n GLU 48 N -0.20 1.03 -4.53 0.00 -0.58 -1.26 -3.56 120.64 111.55 1nxi n GLU 48 Ca -0.09 -0.91 -0.33 0.00 -0.42 0.00 0.00 57.16 55.41 1nxi n GLU 48 Cb 0.63 -1.15 -0.16 0.00 -0.57 0.00 0.00 31.44 30.20 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1nxi s ASP 49 N -1.01 3.46 0.48 1.62 1.11 -1.26 -4.98 116.67 116.10 1nxi s ASP 49 Ca 0.10 -0.52 0.21 0.00 0.18 0.00 0.00 52.55 52.52 1nxi s ASP 49 Cb 0.08 -1.52 1.23 0.00 1.07 0.00 0.00 42.92 43.77 1nxi s ASP 49 CO 0.17 0.07 2.03 -0.26 1.18 0.00 0.00 175.17 178.36 1nxi h PHE 50 N 7.38 0.00 0.17 4.23 0.04 -1.98 0.64 116.94 127.41 1nxi h PHE 50 Ca -0.34 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.42 1nxi h PHE 50 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1nxi h PHE 50 CO 0.49 0.16 -0.08 -0.44 -0.60 0.00 0.00 178.31 177.84 1nxi h ASP 51 N 0.00 -0.19 0.03 2.17 5.19 -1.99 -2.53 116.42 119.11 1nxi h ASP 51 Ca -0.00 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 1nxi h ASP 51 Cb 0.33 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1nxi h ASP 51 CO 0.02 0.37 -0.09 0.50 -3.12 0.00 0.00 179.24 176.92 1nxi h LYS 52 N -0.91 0.14 -0.52 3.56 1.63 -1.95 -1.75 116.57 116.77 1nxi h LYS 52 Ca -0.02 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 1nxi h LYS 52 Cb 0.50 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1nxi h LYS 52 CO 0.04 0.25 0.11 1.25 -3.45 0.00 0.00 179.45 177.64 1nxi h LEU 53 N 0.14 0.80 -0.81 5.20 6.46 -0.89 -0.13 115.31 126.08 1nxi h LEU 53 Ca 0.03 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1nxi h LEU 53 Cb 0.26 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1nxi h LEU 53 CO 0.01 0.84 -0.09 -0.08 -0.62 0.00 0.00 178.44 178.50 1nxi h GLU 54 N 0.73 0.00 0.00 1.25 4.22 -0.96 -2.33 114.58 117.49 1nxi h GLU 54 Ca 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.60 1nxi h GLU 54 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1nxi h GLU 54 CO 0.01 0.09 -0.12 0.87 -2.18 0.00 0.00 179.01 177.68 1nxi h LYS 55 N 0.00 0.00 -0.62 1.92 1.57 -0.83 -2.20 116.57 116.41 1nxi h LYS 55 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1nxi h LYS 55 Cb 0.79 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1nxi h LYS 55 CO 0.01 0.03 0.41 0.00 -0.57 0.00 0.00 179.45 179.33 1nxi h ALA 56 N -0.97 1.87 -0.04 3.86 0.00 -1.14 -1.74 119.26 121.10 1nxi h ALA 56 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nxi h ALA 56 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nxi h ALA 56 CO -0.00 0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.11 1nxi h ALA 57 N 1.67 0.07 -0.65 0.00 0.00 -1.55 -1.92 119.26 116.89 1nxi h ALA 57 Ca 0.28 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1nxi h ALA 57 Cb 0.37 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1nxi h ALA 57 CO -0.08 0.00 0.28 0.28 0.00 0.00 0.00 179.25 179.73 1nxi h VAL 58 N -0.40 0.81 -0.47 0.00 2.07 -0.85 -1.45 116.25 115.95 1nxi h VAL 58 Ca -0.01 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 1nxi h VAL 58 Cb 0.80 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1nxi h VAL 58 CO 0.03 0.09 -0.22 -0.08 0.02 0.00 0.00 177.57 177.41 1nxi h GLU 59 N 0.50 0.97 -0.61 1.57 4.81 -1.37 -2.57 114.58 117.87 1nxi h GLU 59 Ca 0.32 -0.42 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1nxi h GLU 59 Cb 0.37 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.62 1nxi h GLU 59 CO -0.28 1.09 0.10 0.00 -0.73 0.00 0.00 179.01 179.18 1nxi h ALA 60 N 0.90 0.71 0.60 2.92 0.00 -0.43 -1.97 119.26 121.97 1nxi h ALA 60 Ca 0.11 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1nxi h ALA 60 Cb 0.80 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1nxi h ALA 60 CO 0.07 -0.33 -0.29 0.35 0.00 0.00 0.00 179.25 179.05 1nxi h PHE 61 N 0.22 -0.74 -1.28 0.00 3.57 -1.36 -2.88 116.94 114.47 1nxi h PHE 61 Ca 0.33 -0.02 0.42 0.00 3.53 0.00 0.00 57.97 62.23 1nxi h PHE 61 Cb 0.51 0.25 -0.11 0.00 2.79 0.00 0.00 35.95 39.39 1nxi h PHE 61 CO -0.28 -0.46 0.85 1.17 -2.23 0.00 0.00 178.31 177.36 1nxi n LYS 62 N -5.31 -0.02 0.13 1.11 4.81 -0.98 0.81 118.16 118.71 1nxi n LYS 62 Ca -0.10 1.03 -0.12 0.00 -0.87 0.00 0.00 58.31 58.25 1nxi n LYS 62 Cb 0.32 -2.10 -0.07 0.00 0.02 0.00 0.00 35.03 33.20 1nxi n LYS 62 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1nxi h MET 63 N 0.00 -0.38 0.00 1.64 2.86 -1.19 -3.48 114.93 114.38 1nxi h MET 63 Ca 0.76 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.42 1nxi h MET 63 Cb 2.57 0.09 0.00 0.00 0.06 0.00 0.00 31.60 34.32 1nxi h MET 63 CO -0.31 -0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.03 1nxi n GLY 64 N 0.16 0.20 3.67 8.32 0.00 0.24 -5.11 105.19 112.67 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 1.61 -1.02 1.61 0.40 -1.10 -4.84 117.98 114.64 1nxi s PHE 65 Ca 0.00 -0.31 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 1nxi s PHE 65 Cb 0.00 -4.23 -0.05 0.00 0.51 0.00 0.00 43.02 39.24 1nxi s PHE 65 CO 0.00 -5.36 1.90 -1.21 0.70 0.00 0.00 175.22 171.25 1nxi s GLU 66 N 3.77 2.65 0.54 0.44 8.01 0.61 -3.78 118.70 130.94 1nxi s GLU 66 Ca 0.86 -0.69 -0.22 0.00 0.01 0.00 0.00 54.97 54.92 1nxi s GLU 66 Cb -0.44 -5.16 -0.05 0.00 -4.31 0.00 0.00 34.13 24.16 1nxi s GLU 66 CO 0.40 -3.47 1.36 1.55 0.01 0.00 0.00 175.26 175.11 1nxi n VAL 67 N 7.74 3.72 -4.96 2.63 3.14 -1.26 -0.99 118.33 128.35 1nxi n VAL 67 Ca 0.42 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 61.02 1nxi n VAL 67 Cb 0.47 -1.67 -0.16 0.00 -1.06 0.00 0.00 33.84 31.41 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 -3.32 1.96 0.69 6.55 0.20 1.28 -4.89 118.68 121.15 1nxi s LEU 68 Ca 0.71 -0.39 -0.17 0.00 0.69 0.00 0.00 54.13 54.96 1nxi s LEU 68 Cb -0.42 -1.08 -0.14 0.00 -0.43 0.00 0.00 46.19 44.13 1nxi s LEU 68 CO 0.50 0.18 -0.26 -0.62 -0.29 0.00 0.00 176.35 175.86 1nxi n GLU 69 N 3.05 0.04 -4.10 1.98 -0.58 -1.26 -1.85 120.64 117.91 1nxi n GLU 69 Ca -0.18 0.02 -0.23 0.00 -0.42 0.00 0.00 57.16 56.36 1nxi n GLU 69 Cb 0.53 -1.11 -0.04 0.00 -0.57 0.00 0.00 31.44 30.24 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nxi s ALA 70 N -1.99 3.61 0.53 0.62 0.00 -1.26 -4.12 121.76 119.15 1nxi s ALA 70 Ca 0.52 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1nxi s ALA 70 Cb -0.37 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 1nxi s ALA 70 CO 0.71 0.30 0.01 -1.21 0.00 0.00 0.00 175.76 175.56 1nxi s GLU 71 N -3.71 2.24 -0.30 0.00 0.41 -1.19 -4.82 118.70 111.32 1nxi s GLU 71 Ca 0.33 -2.45 -0.19 0.00 -0.41 0.00 0.00 54.97 52.25 1nxi s GLU 71 Cb -0.08 -1.52 -0.01 0.00 -1.78 0.00 0.00 34.13 30.73 1nxi s GLU 71 CO 0.25 -0.42 0.58 -1.21 -0.49 0.00 0.00 175.26 173.97 1nxi s GLU 72 N -3.91 3.90 0.00 1.61 2.02 -1.26 -3.37 118.70 117.68 1nxi s GLU 72 Ca 0.01 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1nxi s GLU 72 Cb 0.00 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.51 1nxi s GLU 72 CO 0.01 -0.53 0.00 -2.37 0.02 0.00 0.00 175.26 172.39 1nxi n THR 73 N 5.34 0.00 -3.41 3.63 5.66 -1.16 -5.02 114.28 119.33 1nxi n THR 73 Ca -0.02 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.94 1nxi n THR 73 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.27 0.00 1.09 0.28 -1.26 -2.81 120.64 118.21 1nxi n GLU 74 Ca 0.00 -0.68 0.00 0.00 -0.16 0.00 0.00 57.16 56.32 1nxi n GLU 74 Cb 0.00 0.76 0.00 0.00 1.43 0.00 0.00 31.44 33.63 1nxi n GLU 74 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1nxi n ASP 75 N -1.47 0.00 -0.53 -1.84 5.68 -1.26 -4.95 116.55 112.18 1nxi n ASP 75 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1nxi n ASP 75 Cb 0.16 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nxi n GLU 76 N -0.16 0.00 0.00 0.11 1.02 -1.26 -4.90 120.64 115.45 1nxi n GLU 76 Ca 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 1nxi n GLU 76 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 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 0.01 0.00 -0.11 1.62 -0.08 -1.26 -5.00 116.55 111.73 1nxi n ASP 77 Ca -0.01 -0.40 -0.23 0.00 -1.51 0.00 0.00 54.79 52.64 1nxi n ASP 77 Cb 0.59 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.98 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nxi n GLY 78 N 0.00 -0.36 4.25 0.27 0.00 -1.26 -4.94 105.19 103.14 1nxi n GLY 78 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.01 0.00 -3.10 1.61 5.15 -1.26 -4.69 115.26 108.95 1nxi n ASN 79 Ca -0.42 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.61 1nxi n ASN 79 Cb 0.79 -1.68 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 1nxi n ASN 79 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1nxi s LYS 80 N -0.42 0.09 0.30 1.20 2.20 -1.26 -4.89 119.74 116.96 1nxi s LYS 80 Ca 0.00 0.07 -0.17 0.00 -0.36 0.00 0.00 55.97 55.51 1nxi s LYS 80 Cb 0.00 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1nxi s LYS 80 CO 0.00 -0.16 0.67 -0.48 -0.36 0.00 0.00 175.35 175.02 1nxi s LEU 81 N 2.85 -0.01 -0.03 5.43 0.05 -1.12 -5.03 118.68 120.83 1nxi s LEU 81 Ca 0.28 -0.85 0.03 0.00 0.05 0.00 0.00 54.13 53.65 1nxi s LEU 81 Cb -0.00 2.49 -0.03 0.00 -2.05 0.00 0.00 46.19 46.59 1nxi s LEU 81 CO -0.22 -1.38 -0.10 -0.76 -0.55 0.00 0.00 176.35 173.34 1nxi s LEU 82 N -2.99 2.98 -0.13 1.48 1.02 -1.23 -3.01 118.68 116.79 1nxi s LEU 82 Ca 0.15 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.13 1nxi s LEU 82 Cb -0.04 -1.67 0.04 0.00 0.02 0.00 0.00 46.19 44.54 1nxi s LEU 82 CO 0.09 0.32 0.01 0.00 0.02 0.00 0.00 176.35 176.79 1nxi s PHE 84 N 1.90 3.46 0.06 0.00 -0.71 -0.68 -3.16 117.98 118.86 1nxi s PHE 84 Ca 0.03 0.16 0.07 0.00 -1.04 0.00 0.00 56.93 56.14 1nxi s PHE 84 Cb -0.14 -1.76 -0.04 0.00 -1.21 0.00 0.00 43.02 39.88 1nxi s PHE 84 CO -0.07 0.25 -0.13 -0.51 -1.34 0.00 0.00 175.22 173.42 1nxi s ASP 85 N -4.02 4.15 -0.02 1.98 1.11 -0.77 -2.54 116.67 116.57 1nxi s ASP 85 Ca 0.37 -0.38 0.08 0.00 0.18 0.00 0.00 52.55 52.81 1nxi s ASP 85 Cb -0.09 -0.76 -0.02 0.00 1.07 0.00 0.00 42.92 43.12 1nxi s ASP 85 CO 0.33 0.23 -0.25 0.00 1.18 0.00 0.00 175.17 176.65 1nxi s ALA 86 N -1.06 2.11 0.07 5.23 0.00 -0.61 0.39 121.76 127.89 1nxi s ALA 86 Ca 0.18 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1nxi s ALA 86 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1nxi s ALA 86 CO 0.09 0.52 -0.18 0.95 0.00 0.00 0.00 175.76 177.14 1nxi s THR 87 N -0.60 1.44 -0.29 0.00 -4.23 -0.16 -1.37 115.64 110.42 1nxi s THR 87 Ca 0.10 -1.29 -0.14 0.00 -1.18 0.00 0.00 61.69 59.18 1nxi s THR 87 Cb -0.10 -1.30 0.10 0.00 1.34 0.00 0.00 72.50 72.54 1nxi s THR 87 CO -0.01 -0.02 0.70 -0.32 -0.54 0.00 0.00 174.62 174.43 1nxi s MET 88 N -1.53 0.64 -0.14 3.99 1.75 -0.91 0.23 119.30 123.33 1nxi s MET 88 Ca 0.04 1.26 -0.29 0.00 -1.25 0.00 0.00 55.69 55.45 1nxi s MET 88 Cb -0.09 0.38 -0.01 0.00 2.84 0.00 0.00 34.83 37.95 1nxi s MET 88 CO 0.03 -0.16 1.05 -0.65 -0.65 0.00 0.00 175.02 174.63 1nxi s GLN 89 N 2.04 4.36 0.08 4.11 1.11 -1.26 -1.44 119.66 128.65 1nxi s GLN 89 Ca -0.09 1.42 0.02 0.00 0.01 0.00 0.00 55.36 56.73 1nxi s GLN 89 Cb -0.07 -3.58 -0.01 0.00 -1.01 0.00 0.00 33.01 28.34 1nxi s GLN 89 CO -0.19 -0.44 0.07 -1.13 0.01 0.00 0.00 175.29 173.61 1nxi n SER 90 N 5.49 -0.18 -4.83 5.90 3.41 -0.20 -4.94 113.62 118.28 1nxi n SER 90 Ca 0.10 -1.52 -0.36 0.00 -0.26 0.00 0.00 58.87 56.83 1nxi n SER 90 Cb 0.47 0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.77 1nxi n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nxi s ALA 91 N -2.29 3.78 -0.44 7.33 0.00 -1.26 -0.37 121.76 128.50 1nxi s ALA 91 Ca 0.09 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 1nxi s ALA 91 Cb 0.00 -1.97 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 1nxi s ALA 91 CO 0.07 0.51 2.36 -0.11 0.00 0.00 0.00 175.76 178.59 1nxi n LEU 92 N 2.35 2.43 -3.63 0.00 7.94 -1.26 -4.82 117.00 120.00 1nxi n LEU 92 Ca -0.19 -0.19 -0.11 0.00 -1.11 0.00 0.00 56.01 54.41 1nxi n LEU 92 Cb 0.54 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 1nxi n LEU 92 CO 0.32 -1.20 0.61 -1.81 -1.11 0.00 0.00 177.39 174.19 1nxi s ASP 93 N 10.52 -0.58 0.00 1.96 1.01 -1.26 -4.99 116.67 123.33 1nxi s ASP 93 Ca 1.02 1.10 0.00 0.00 0.71 0.00 0.00 52.55 55.39 1nxi s ASP 93 Cb -0.35 1.12 0.00 0.00 1.01 0.00 0.00 42.92 44.70 1nxi s ASP 93 CO 0.32 -0.20 0.63 0.00 0.21 0.00 0.00 175.17 176.14 1nxi n ALA 94 N 2.39 -0.29 -0.27 5.23 0.00 -1.26 -1.57 120.51 124.74 1nxi n ALA 94 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1nxi n ALA 94 Cb 0.55 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.26 1nxi n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nxi n LYS 95 N -1.75 -0.06 0.24 0.00 5.02 -1.26 0.12 118.16 120.48 1nxi n LYS 95 Ca 0.00 1.15 -0.16 0.00 -2.02 0.00 0.00 58.31 57.29 1nxi n LYS 95 Cb 0.00 -1.86 -0.08 0.00 -0.02 0.00 0.00 35.03 33.07 1nxi n LYS 95 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1nxi h LEU 96 N 0.00 -0.59 -2.06 -0.35 7.12 -1.90 -1.23 115.31 116.30 1nxi h LEU 96 Ca 0.49 0.03 0.10 0.00 0.13 0.00 0.00 57.88 58.63 1nxi h LEU 96 Cb 1.05 0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.34 1nxi h LEU 96 CO -0.72 -0.39 0.27 0.40 -0.13 0.00 0.00 178.44 177.88 1nxi h ILE 97 N -0.62 0.69 -0.43 4.05 2.04 0.20 -0.31 117.51 123.13 1nxi h ILE 97 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1nxi h ILE 97 Cb 0.50 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1nxi h ILE 97 CO 0.06 0.00 0.11 -0.78 0.00 0.00 0.00 178.15 177.54 1nxi h ASP 98 N 0.00 0.66 0.14 1.72 3.58 0.27 0.31 116.42 123.09 1nxi h ASP 98 Ca 0.16 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1nxi h ASP 98 Cb 0.70 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1nxi h ASP 98 CO -0.00 0.71 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.67 1nxi h GLU 99 N 0.57 -0.18 0.59 0.28 4.39 -0.53 0.30 114.58 120.00 1nxi h GLU 99 Ca 0.14 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1nxi h GLU 99 Cb 0.31 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1nxi h GLU 99 CO 0.00 -0.08 -0.35 1.96 -1.16 0.00 0.00 179.01 179.38 1nxi h GLN 100 N -0.22 -0.85 -0.27 2.33 1.08 -1.37 -0.49 115.11 115.31 1nxi h GLN 100 Ca -0.02 0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.32 1nxi h GLN 100 Cb 0.18 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1nxi h GLN 100 CO 0.03 -0.57 0.39 0.28 -0.95 0.00 0.00 178.83 178.01 1nxi h VAL 101 N -0.88 0.28 -0.04 -0.54 2.07 -0.86 0.26 116.25 116.54 1nxi h VAL 101 Ca -0.07 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1nxi h VAL 101 Cb 0.71 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1nxi h VAL 101 CO 0.08 0.00 -0.27 -0.08 0.02 0.00 0.00 177.57 177.32 1nxi h GLU 102 N 0.00 0.25 -0.51 1.57 4.81 0.63 -1.52 114.58 119.81 1nxi h GLU 102 Ca 0.13 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1nxi h GLU 102 Cb 0.90 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1nxi h GLU 102 CO -0.00 0.89 0.20 -0.22 -0.73 0.00 0.00 179.01 179.15 1nxi h LYS 103 N -0.31 0.76 -0.02 1.92 1.63 0.08 0.62 116.57 121.25 1nxi h LYS 103 Ca -0.02 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.56 1nxi h LYS 103 Cb 0.95 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 1nxi h LYS 103 CO 0.06 0.68 -0.34 -0.07 -3.45 0.00 0.00 179.45 176.32 1nxi h LEU 104 N 0.69 0.04 0.00 5.20 3.38 -1.34 -0.32 115.31 122.95 1nxi h LEU 104 Ca 0.17 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nxi h LEU 104 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1nxi h LEU 104 CO -0.01 0.38 -0.00 0.58 0.09 0.00 0.00 178.44 179.48 1nxi h VAL 105 N 0.03 1.62 -0.08 1.22 2.07 -0.71 -1.26 116.25 119.14 1nxi h VAL 105 Ca 0.00 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 1nxi h VAL 105 Cb 0.63 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1nxi h VAL 105 CO 0.05 0.48 0.03 0.78 0.02 0.00 0.00 177.57 178.93 1nxi h ASN 106 N -0.80 0.11 -0.35 0.57 2.35 -0.84 -1.73 115.58 114.89 1nxi h ASN 106 Ca -0.00 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1nxi h ASN 106 Cb 0.79 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 1nxi h ASN 106 CO 0.00 0.25 0.16 0.25 -1.65 0.00 0.00 177.43 176.45 1nxi h LEU 107 N -0.03 0.46 0.55 1.61 5.85 -1.17 0.46 115.31 123.04 1nxi h LEU 107 Ca 0.03 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1nxi h LEU 107 Cb 0.17 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1nxi h LEU 107 CO -0.00 0.47 -0.51 0.00 -0.34 0.00 0.00 178.44 178.06 1nxi h ALA 108 N 1.01 -1.17 0.00 1.25 0.00 -1.11 -1.14 119.26 118.10 1nxi h ALA 108 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nxi h ALA 108 Cb 0.13 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1nxi h ALA 108 CO -0.01 -1.19 0.00 0.93 0.00 0.00 0.00 179.25 178.97 1nxi h GLU 109 N -1.04 0.00 0.00 0.00 4.39 -1.29 -1.66 114.58 114.99 1nxi h GLU 109 Ca -0.07 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 1nxi h GLU 109 Cb 0.89 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1nxi h GLU 109 CO -0.04 0.00 -0.58 -0.22 -1.16 0.00 0.00 179.01 177.01 1nxi h LYS 110 N 0.00 0.00 0.00 2.33 1.63 0.32 -3.39 116.57 117.46 1nxi h LYS 110 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nxi h LYS 110 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1nxi h LYS 110 CO 0.00 0.58 0.00 1.19 -3.45 0.00 0.00 179.45 177.77 1nxi n PHE 111 N -3.82 0.00 0.00 1.91 3.72 -0.67 -5.04 117.46 113.57 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 0.59 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.67 0.00 -4.51 4.37 8.00 -0.93 -5.12 116.55 116.69 1nxi n ASP 112 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1nxi n ASP 112 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.34 0.07 0.53 -4.36 -1.10 -4.77 121.20 112.90 1nxi s ILE 113 Ca 0.00 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.49 1nxi s ILE 113 Cb 0.00 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 1nxi s ILE 113 CO 0.00 0.00 -0.26 -0.51 0.24 0.00 0.00 174.94 174.41 1nxi s ILE 114 N -3.02 2.22 -0.48 8.37 2.07 -1.24 -4.07 121.20 125.06 1nxi s ILE 114 Ca 0.28 -1.46 -0.04 0.00 -1.41 0.00 0.00 60.65 58.02 1nxi s ILE 114 Cb 0.07 -1.90 0.13 0.00 0.13 0.00 0.00 42.46 40.88 1nxi s ILE 114 CO 0.14 0.30 0.29 -0.47 -1.91 0.00 0.00 174.94 173.29 1nxi s TYR 115 N -0.88 3.52 -0.42 3.50 5.04 -1.26 -3.76 117.35 123.09 1nxi s TYR 115 Ca 0.13 -2.40 0.04 0.00 -2.44 0.00 0.00 57.07 52.40 1nxi s TYR 115 Cb -0.10 -3.27 0.17 0.00 0.35 0.00 0.00 41.96 39.10 1nxi s TYR 115 CO 0.03 -0.95 0.34 -0.51 -1.34 0.00 0.00 175.55 173.12 1nxi s ASP 116 N 1.70 1.74 0.00 4.32 1.11 -1.24 -4.99 116.67 119.31 1nxi s ASP 116 Ca 0.10 -3.04 0.00 0.00 0.18 0.00 0.00 52.55 49.79 1nxi s ASP 116 Cb -0.23 -0.50 0.00 0.00 1.07 0.00 0.00 42.92 43.26 1nxi s ASP 116 CO -0.04 -0.18 0.00 0.61 1.18 0.00 0.00 175.17 176.75 1nxi n GLY 117 N 2.90 -1.71 3.19 0.21 0.00 -1.26 -4.87 105.19 103.65 1nxi n GLY 117 Ca 0.28 0.79 -0.34 0.00 0.00 0.00 0.00 46.02 46.75 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 3.04 0.12 1.61 1.48 -1.26 -0.47 118.94 123.46 1nxi s TRP 118 Ca 0.00 -1.56 0.03 0.00 -1.06 0.00 0.00 56.10 53.52 1nxi s TRP 118 Cb 0.00 -2.04 -0.04 0.00 -1.16 0.00 0.00 33.47 30.22 1nxi s TRP 118 CO 0.00 -0.73 -0.09 0.20 -4.06 0.00 0.00 176.95 172.27 1nxi s GLY 119 N 1.32 0.91 0.27 3.67 0.00 -0.09 -4.99 107.32 108.42 1nxi s GLY 119 Ca 0.01 -1.35 0.05 0.00 0.00 0.00 0.00 44.72 43.42 1nxi s GLY 119 CO -0.05 -1.44 -0.01 -1.08 0.00 0.00 0.00 173.10 170.52 1nxi s THR 120 N -3.10 1.31 -0.12 0.90 -1.32 -1.26 -0.53 115.64 111.53 1nxi s THR 120 Ca 0.12 -2.06 -0.06 0.00 -1.21 0.00 0.00 61.69 58.48 1nxi s THR 120 Cb 0.01 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 1nxi s THR 120 CO -0.01 -0.24 0.10 -0.47 -2.21 0.00 0.00 174.62 171.79 1nxi s TYR 121 N -3.23 3.47 -0.64 9.09 5.04 -1.15 -4.99 117.35 124.94 1nxi s TYR 121 Ca 0.31 0.42 -0.24 0.00 -2.44 0.00 0.00 57.07 55.11 1nxi s TYR 121 Cb 0.06 -1.92 0.05 0.00 0.35 0.00 0.00 41.96 40.50 1nxi s TYR 121 CO 0.11 0.63 1.05 -0.47 -1.34 0.00 0.00 175.55 175.53 1nxi s TYR 122 N -0.88 2.61 -0.50 4.97 5.04 -1.26 -4.58 117.35 122.75 1nxi s TYR 122 Ca 0.14 -0.23 -0.45 0.00 -2.44 0.00 0.00 57.07 54.08 1nxi s TYR 122 Cb -0.12 -4.33 -0.19 0.00 0.35 0.00 0.00 41.96 37.67 1nxi s TYR 122 CO 0.03 -1.67 1.87 -1.91 -1.34 0.00 0.00 175.55 172.53 1nxi n GLU 123 N 8.08 0.03 0.00 4.97 4.07 -1.26 -1.88 120.64 134.64 1nxi n GLU 123 Ca -0.00 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1nxi n GLU 123 Cb 0.47 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nxi n GLY 124 N 5.72 1.35 1.61 8.31 0.00 -1.26 -4.95 105.19 115.97 1nxi n GLY 124 Ca 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.42 1nxi n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nxi n LEU 125 N 0.00 5.40 -1.29 0.99 4.77 -0.79 -4.94 117.00 121.14 1nxi n LEU 125 Ca 0.00 -2.59 0.17 0.00 -0.03 0.00 0.00 56.01 53.56 1nxi n LEU 125 Cb 0.00 -1.17 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 1nxi n LEU 125 CO 0.00 1.13 -0.39 1.21 -1.33 0.00 0.00 177.39 178.01 1nxi n GLU 126 N 1.59 -2.78 -2.19 3.23 2.13 -1.26 -4.92 120.64 116.44 1nxi n GLU 126 Ca 0.09 2.05 -0.01 0.00 0.66 0.00 0.00 57.16 59.95 1nxi n GLU 126 Cb 0.57 -3.32 0.08 0.00 0.27 0.00 0.00 31.44 29.04 1nxi n GLU 126 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1nxi n HIS 127 N -4.10 -1.28 -3.88 4.31 1.44 -1.26 -5.06 115.22 105.40 1nxi n HIS 127 Ca -0.03 -1.07 -0.36 0.00 -2.01 0.00 0.00 57.72 54.25 1nxi n HIS 127 Cb 0.60 1.17 -0.08 0.00 0.12 0.00 0.00 29.99 31.80 1nxi n HIS 127 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1nxi s HIS 128 N 0.08 3.44 -0.62 -1.40 3.76 -1.26 -5.05 115.29 114.24 1nxi s HIS 128 Ca 0.06 0.35 -0.23 0.00 -0.15 0.00 0.00 55.06 55.09 1nxi s HIS 128 Cb 0.28 -2.04 0.06 0.00 1.11 0.00 0.00 32.58 31.99 1nxi s HIS 128 CO -0.08 0.45 0.93 -1.58 -0.85 0.00 0.00 174.74 173.61 1nxi s HIS 129 N -0.24 2.74 0.00 1.40 2.46 -1.26 -4.58 115.29 115.80 1nxi s HIS 129 Ca 0.10 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.24 1nxi s HIS 129 Cb -0.12 -4.17 0.00 0.00 -0.13 0.00 0.00 32.58 28.17 1nxi s HIS 129 CO 0.01 -1.51 0.03 1.58 -2.47 0.00 0.00 174.74 172.37 1nxi n HIS 130 N 7.51 0.00 -3.84 3.88 -0.00 -1.26 -5.13 115.22 116.38 1nxi n HIS 130 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1nxi n HIS 130 Cb 0.46 0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 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 -0.75 1.57 -0.00 -1.26 -5.32 115.22 109.45 1nxi n HIS 131 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1nxi n HIS 131 Cb 0.34 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 1nxi n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92