#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 3.23 -3.16 6.12 2.88 -1.26 -5.02 113.62 116.41 1nxi n SER 2 Ca 0.00 -3.07 -0.10 0.00 -1.33 0.00 0.00 58.87 54.37 1nxi n SER 2 Cb 0.00 -0.45 0.01 0.00 -0.75 0.00 0.00 64.21 63.02 1nxi n SER 2 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1nxi n HIS 3 N -0.48 -1.62 -3.47 0.66 -0.00 -1.26 -4.90 115.22 104.15 1nxi n HIS 3 Ca 0.25 0.69 -0.37 0.00 -0.00 0.00 0.00 57.72 58.30 1nxi n HIS 3 Cb 0.82 -1.95 -0.07 0.00 -0.00 0.00 0.00 29.99 28.79 1nxi n HIS 3 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1nxi s GLN 4 N -1.59 4.22 0.00 1.57 -1.52 -1.26 -5.03 119.66 116.06 1nxi s GLN 4 Ca 0.11 0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.77 1nxi s GLN 4 Cb -0.02 -3.40 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 1nxi s GLN 4 CO 0.41 0.28 0.00 -0.40 -0.25 0.00 0.00 175.29 175.33 1nxi n ASP 5 N 3.34 0.00 -3.91 5.90 5.68 -1.26 -4.92 116.55 121.38 1nxi n ASP 5 Ca -0.11 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.89 1nxi n ASP 5 Cb 0.52 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.52 1nxi n ASP 5 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1nxi n ASP 6 N -0.58 -3.97 -4.77 -1.12 -0.08 -1.26 -4.88 116.55 99.90 1nxi n ASP 6 Ca 0.00 -0.82 -0.39 0.00 -1.51 0.00 0.00 54.79 52.07 1nxi n ASP 6 Cb 0.00 -3.78 -0.01 0.00 2.34 0.00 0.00 41.12 39.68 1nxi n ASP 6 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1nxi s TYR 7 N -3.38 2.83 0.00 -0.67 2.02 -1.26 -5.02 117.35 111.87 1nxi s TYR 7 Ca 0.55 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.66 1nxi s TYR 7 Cb -0.28 -3.67 0.00 0.00 -0.40 0.00 0.00 41.96 37.61 1nxi s TYR 7 CO 0.84 -2.08 0.00 1.28 -1.57 0.00 0.00 175.55 174.02 1nxi n LEU 8 N 0.16 0.00 -0.11 -1.29 4.32 -1.26 -4.98 117.00 113.84 1nxi n LEU 8 Ca 0.04 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.14 1nxi n LEU 8 Cb 0.43 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.31 1nxi n LEU 8 CO 0.56 -0.39 0.25 -1.20 -1.22 0.00 0.00 177.39 175.39 1nxi n SER 9 N -2.31 1.02 -0.43 -1.43 7.64 -1.26 -4.22 113.62 112.62 1nxi n SER 9 Ca 0.00 -0.84 0.36 0.00 1.01 0.00 0.00 58.87 59.40 1nxi n SER 9 Cb 0.00 0.58 0.67 0.00 -1.01 0.00 0.00 64.21 64.44 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 0.54 0.25 0.00 0.44 2.07 -2.01 4.67 116.25 122.21 1nxi h VAL 10 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1nxi h VAL 10 Cb 0.54 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1nxi h VAL 10 CO 0.00 0.02 0.00 -0.33 0.02 0.00 0.00 177.57 177.28 1nxi h GLU 11 N 0.12 0.00 0.27 1.57 4.39 -1.98 -3.18 114.58 115.77 1nxi h GLU 11 Ca 0.73 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.42 1nxi h GLU 11 Cb 2.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.10 1nxi h GLU 11 CO -0.24 0.00 -0.13 0.93 -1.16 0.00 0.00 179.01 178.41 1nxi h GLU 12 N 0.00 -0.35 -0.60 2.33 4.39 0.90 -2.75 114.58 118.50 1nxi h GLU 12 Ca 0.00 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.85 1nxi h GLU 12 Cb 0.79 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.42 1nxi h GLU 12 CO 0.00 -0.04 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.74 1nxi h LEU 13 N -0.97 -0.27 0.09 1.33 3.38 -1.51 -1.38 115.31 115.97 1nxi h LEU 13 Ca -0.04 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nxi h LEU 13 Cb 0.47 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1nxi h LEU 13 CO 0.06 -0.11 -0.22 0.40 0.09 0.00 0.00 178.44 178.66 1nxi h ILE 14 N 0.12 0.00 -0.82 1.22 2.04 -1.60 0.14 117.51 118.61 1nxi h ILE 14 Ca 0.31 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.27 1nxi h ILE 14 Cb 0.50 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.46 1nxi h ILE 14 CO -0.51 0.00 -0.51 -0.33 0.00 0.00 0.00 178.15 176.80 1nxi h GLU 15 N -0.35 -0.10 -0.01 2.37 4.39 -1.11 0.14 114.58 119.90 1nxi h GLU 15 Ca -0.01 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1nxi h GLU 15 Cb 0.33 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1nxi h GLU 15 CO -0.10 -0.07 -0.14 0.82 -1.16 0.00 0.00 179.01 178.36 1nxi h ILE 16 N -0.11 0.00 -0.99 3.13 2.04 -0.83 -1.76 117.51 118.98 1nxi h ILE 16 Ca 0.19 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.20 1nxi h ILE 16 Cb 0.51 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.43 1nxi h ILE 16 CO -0.84 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 176.90 1nxi n GLN 17 N -3.26 -0.25 -0.38 2.37 3.00 0.45 -0.10 117.38 119.20 1nxi n GLN 17 Ca -0.02 1.53 -0.08 0.00 -0.01 0.00 0.00 57.00 58.42 1nxi n GLN 17 Cb 0.10 -2.26 -0.07 0.00 0.00 0.00 0.00 30.24 28.01 1nxi n GLN 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1nxi n LYS 18 N -5.44 -0.37 0.15 -1.09 3.00 0.38 -0.30 118.16 114.49 1nxi n LYS 18 Ca 0.09 1.40 -0.07 0.00 -0.00 0.00 0.00 58.31 59.74 1nxi n LYS 18 Cb 0.39 -2.07 -0.04 0.00 0.00 0.00 0.00 35.03 33.31 1nxi n LYS 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1nxi h GLU 19 N 0.00 -0.42 -0.81 1.64 5.08 -0.11 -2.10 114.58 117.87 1nxi h GLU 19 Ca 0.18 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.86 1nxi h GLU 19 Cb 0.41 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.61 1nxi h GLU 19 CO -0.88 -0.28 0.25 0.39 -1.00 0.00 0.00 179.01 177.49 1nxi n GLU 20 N -3.47 -0.06 0.42 2.33 -0.58 -0.55 0.17 120.64 118.91 1nxi n GLU 20 Ca -0.05 1.16 -0.18 0.00 -0.42 0.00 0.00 57.16 57.67 1nxi n GLU 20 Cb 0.19 -1.97 -0.09 0.00 -0.57 0.00 0.00 31.44 29.00 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 0.00 -0.93 2.62 2.02 0.00 -2.33 112.91 114.30 1nxi h THR 21 Ca 0.60 0.00 0.27 0.00 0.77 0.00 0.00 66.41 68.05 1nxi h THR 21 Cb 1.46 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.71 1nxi h THR 21 CO -0.69 0.00 0.18 -0.09 0.37 0.00 0.00 175.52 175.30 1nxi h ARG 22 N -1.11 0.10 -0.41 6.66 2.43 0.23 0.70 114.38 122.98 1nxi h ARG 22 Ca -0.11 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1nxi h ARG 22 Cb 0.87 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 1nxi h ARG 22 CO 0.14 0.07 0.07 -0.44 -1.51 0.00 0.00 179.97 178.30 1nxi h ASP 23 N 0.11 -0.02 0.14 -3.80 5.19 -0.96 -0.66 116.42 116.41 1nxi h ASP 23 Ca 0.60 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 57.07 1nxi h ASP 23 Cb 1.27 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1nxi h ASP 23 CO -0.77 0.03 -0.06 0.40 -3.12 0.00 0.00 179.24 175.72 1nxi h ILE 24 N 0.19 0.00 -1.55 0.35 2.04 0.78 -2.41 117.51 116.91 1nxi h ILE 24 Ca 0.20 -0.15 0.45 0.00 1.00 0.00 0.00 64.86 66.36 1nxi h ILE 24 Cb 0.25 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 1nxi h ILE 24 CO -0.27 0.00 1.18 -0.38 0.00 0.00 0.00 178.15 178.68 1nxi n ILE 25 N -2.91 0.00 -0.02 -0.67 2.08 0.35 0.12 119.36 118.31 1nxi n ILE 25 Ca -0.02 1.23 -0.11 0.00 0.56 0.00 0.00 62.75 64.40 1nxi n ILE 25 Cb 0.07 -2.07 -0.09 0.00 -0.75 0.00 0.00 39.64 36.80 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 -0.06 -0.45 0.38 1.08 -1.01 -2.49 115.11 112.55 1nxi h GLN 26 Ca 0.74 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 58.03 1nxi h GLN 26 Cb 3.09 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 30.45 1nxi h GLN 26 CO -0.01 0.56 -0.06 0.00 -0.95 0.00 0.00 178.83 178.37 1nxi h ALA 27 N -0.16 0.35 0.69 3.87 0.00 0.15 0.13 119.26 124.29 1nxi h ALA 27 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1nxi h ALA 27 Cb 0.65 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nxi h ALA 27 CO 0.01 -0.43 -0.33 -0.07 0.00 0.00 0.00 179.25 178.44 1nxi h LEU 28 N 0.04 -0.78 -0.60 0.00 3.38 -1.47 -1.03 115.31 114.85 1nxi h LEU 28 Ca 0.22 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1nxi h LEU 28 Cb 0.33 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 1nxi h LEU 28 CO -0.43 -0.55 -0.38 -0.07 0.09 0.00 0.00 178.44 177.10 1nxi h LEU 29 N -0.93 -1.31 -1.86 1.67 3.38 -1.18 1.01 115.31 116.08 1nxi h LEU 29 Ca -0.09 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.31 1nxi h LEU 29 Cb 0.71 0.63 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 1nxi h LEU 29 CO 0.15 -0.32 0.52 -0.08 0.09 0.00 0.00 178.44 178.80 1nxi h GLU 30 N -0.18 0.12 0.00 1.13 4.81 -0.66 0.61 114.58 120.41 1nxi h GLU 30 Ca 0.21 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1nxi h GLU 30 Cb 0.56 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1nxi h GLU 30 CO -0.70 0.08 -0.14 -0.44 -0.73 0.00 0.00 179.01 177.09 1nxi h ASP 31 N 0.13 0.00 -0.12 1.04 3.32 0.24 -3.46 116.42 117.57 1nxi h ASP 31 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1nxi h ASP 31 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1nxi h ASP 31 CO -0.05 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 1nxi n GLY 32 N -0.36 1.21 3.70 2.75 0.00 0.21 -5.03 105.19 107.66 1nxi n GLY 32 Ca -0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1nxi n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nxi s SER 33 N -2.43 7.05 -0.83 1.61 0.15 -1.24 -4.85 113.70 113.15 1nxi s SER 33 Ca 0.00 1.90 -0.35 0.00 0.70 0.00 0.00 55.95 58.20 1nxi s SER 33 Cb 0.00 -2.56 -0.21 0.00 -1.71 0.00 0.00 66.02 61.54 1nxi s SER 33 CO 0.00 -0.56 2.53 -0.67 1.20 0.00 0.00 173.24 175.74 1nxi n ASP 34 N 4.81 0.51 0.00 5.45 2.03 -1.26 -4.68 116.55 123.41 1nxi n ASP 34 Ca 0.10 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1nxi n ASP 34 Cb 0.46 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 1nxi n ASP 34 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1nxi n PRO 35 N 8.23 0.00 -0.06 -0.67 -0.02 -1.26 -0.70 135.00 140.52 1nxi n PRO 35 Ca 0.62 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 62.55 1nxi n PRO 35 Cb 0.03 -1.59 0.08 0.00 -0.02 0.00 0.00 33.50 32.00 1nxi n PRO 35 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nxi n ASP 36 N -1.40 2.28 -0.30 2.55 -0.08 -1.26 -4.46 116.55 113.87 1nxi n ASP 36 Ca 0.00 -2.58 0.10 0.00 -1.51 0.00 0.00 54.79 50.80 1nxi n ASP 36 Cb 0.09 -0.24 0.45 0.00 2.34 0.00 0.00 41.12 43.76 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nxi n ALA 37 N -0.93 2.56 -1.35 -1.67 0.00 0.12 -5.02 120.51 114.22 1nxi n ALA 37 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1nxi n ALA 37 Cb 0.47 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.19 -1.87 -4.33 0.00 4.77 -1.26 -5.02 117.00 109.11 1nxi n LEU 38 Ca 0.15 2.56 -0.18 0.00 -0.03 0.00 0.00 56.01 58.51 1nxi n LEU 38 Cb 0.21 -2.44 -0.10 0.00 -2.33 0.00 0.00 43.42 38.76 1nxi n LEU 38 CO 0.12 0.06 -0.43 -0.31 -1.33 0.00 0.00 177.39 175.50 1nxi s TYR 39 N -3.84 1.62 -0.17 -1.77 1.51 -0.64 -4.88 117.35 109.18 1nxi s TYR 39 Ca 0.00 -0.62 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1nxi s TYR 39 Cb 0.00 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1nxi s TYR 39 CO 0.00 0.30 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.49 1nxi s GLU 40 N -3.67 3.59 -0.17 -0.62 2.02 -1.26 -0.57 118.70 118.01 1nxi s GLU 40 Ca 0.22 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 1nxi s GLU 40 Cb 0.00 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 1nxi s GLU 40 CO 0.06 0.11 0.10 0.42 0.02 0.00 0.00 175.26 175.97 1nxi s ILE 41 N 0.70 5.16 -0.17 -1.63 -1.09 -0.81 -3.33 121.20 120.04 1nxi s ILE 41 Ca -0.02 0.09 -0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1nxi s ILE 41 Cb -0.14 -3.32 -0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1nxi s ILE 41 CO 0.02 0.49 -0.14 -0.70 -1.23 0.00 0.00 174.94 173.38 1nxi s GLU 42 N 0.07 3.22 -0.05 2.79 2.12 -0.57 -1.99 118.70 124.30 1nxi s GLU 42 Ca 0.08 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.71 1nxi s GLU 42 Cb -0.12 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 1nxi s GLU 42 CO -0.00 -0.03 -0.16 -1.01 -0.54 0.00 0.00 175.26 173.52 1nxi s HIS 43 N 0.95 2.67 -0.26 5.30 3.76 -0.46 -1.00 115.29 126.23 1nxi s HIS 43 Ca -0.03 -0.23 -0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1nxi s HIS 43 Cb -0.15 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 1nxi s HIS 43 CO -0.02 0.13 0.13 -1.01 -0.85 0.00 0.00 174.74 173.12 1nxi s HIS 44 N -0.63 3.15 -0.04 1.40 0.09 -0.06 -1.67 115.29 117.54 1nxi s HIS 44 Ca 0.09 -0.15 0.04 0.00 -0.00 0.00 0.00 55.06 55.04 1nxi s HIS 44 Cb -0.11 -2.31 -0.00 0.00 -0.00 0.00 0.00 32.58 30.16 1nxi s HIS 44 CO 0.01 -0.26 -0.15 -0.51 -0.00 0.00 0.00 174.74 173.83 1nxi s LEU 45 N 1.68 1.90 0.31 0.89 1.02 -1.02 -3.90 118.68 119.57 1nxi s LEU 45 Ca 0.07 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 53.96 1nxi s LEU 45 Cb -0.16 -0.87 -0.06 0.00 0.02 0.00 0.00 46.19 45.12 1nxi s LEU 45 CO 0.07 0.14 0.01 0.72 0.02 0.00 0.00 176.35 177.31 1nxi s PHE 46 N 0.01 2.01 0.34 0.29 -0.71 -1.25 -1.51 117.98 117.16 1nxi s PHE 46 Ca -0.02 -0.83 -0.08 0.00 -1.04 0.00 0.00 56.93 54.96 1nxi s PHE 46 Cb -0.10 -1.27 0.02 0.00 -1.21 0.00 0.00 43.02 40.46 1nxi s PHE 46 CO 0.01 0.15 0.57 0.00 -1.34 0.00 0.00 175.22 174.62 1nxi s ALA 47 N -3.13 0.18 -0.06 1.99 0.00 -0.98 -3.70 121.76 116.06 1nxi s ALA 47 Ca 0.34 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1nxi s ALA 47 Cb 0.07 1.00 -0.08 0.00 0.00 0.00 0.00 23.12 24.11 1nxi s ALA 47 CO 0.14 -0.86 0.04 -1.91 0.00 0.00 0.00 175.76 173.17 1nxi n GLU 48 N -0.53 2.65 -4.02 0.00 2.13 -1.26 -3.48 120.64 116.14 1nxi n GLU 48 Ca -0.02 -0.01 -0.33 0.00 0.66 0.00 0.00 57.16 57.46 1nxi n GLU 48 Cb 0.61 -1.16 -0.15 0.00 0.27 0.00 0.00 31.44 31.01 1nxi n GLU 48 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1nxi s ASP 49 N -3.65 4.48 0.66 4.31 -1.08 -1.26 -4.92 116.67 115.20 1nxi s ASP 49 Ca -0.03 -1.26 0.18 0.00 -0.52 0.00 0.00 52.55 50.92 1nxi s ASP 49 Cb 0.02 -1.60 0.95 0.00 -1.46 0.00 0.00 42.92 40.83 1nxi s ASP 49 CO 0.26 -0.19 1.53 2.19 0.52 0.00 0.00 175.17 179.48 1nxi h PHE 50 N 7.87 0.00 0.01 -5.34 -0.00 -1.98 -1.00 116.94 116.50 1nxi h PHE 50 Ca -0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.74 1nxi h PHE 50 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.01 1nxi h PHE 50 CO 0.62 0.00 -0.00 0.22 -0.00 0.00 0.00 178.31 179.14 1nxi h ASP 51 N 0.00 -0.01 -0.06 -0.68 3.58 -2.00 -0.43 116.42 116.82 1nxi h ASP 51 Ca 0.03 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1nxi h ASP 51 Cb 1.31 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.36 1nxi h ASP 51 CO -0.00 -0.00 0.06 0.07 -2.88 0.00 0.00 179.24 176.49 1nxi h LYS 52 N -0.01 0.00 0.75 0.28 2.10 -1.77 -2.63 116.57 115.29 1nxi h LYS 52 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1nxi h LYS 52 Cb 0.01 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1nxi h LYS 52 CO 0.00 0.00 -0.36 1.25 -2.00 0.00 0.00 179.45 178.34 1nxi h LEU 53 N 0.00 -0.85 -1.15 7.07 6.46 -1.14 -2.32 115.31 123.37 1nxi h LEU 53 Ca 0.03 0.02 0.22 0.00 -0.12 0.00 0.00 57.88 58.03 1nxi h LEU 53 Cb 0.15 0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 40.20 1nxi h LEU 53 CO -0.00 -0.48 0.62 -0.33 -0.62 0.00 0.00 178.44 177.63 1nxi h GLU 54 N -1.26 0.58 -0.04 1.25 5.08 -0.73 0.22 114.58 119.69 1nxi h GLU 54 Ca -0.10 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1nxi h GLU 54 Cb 0.78 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1nxi h GLU 54 CO 0.17 0.39 -0.03 0.87 -1.00 0.00 0.00 179.01 179.40 1nxi h LYS 55 N 0.60 -0.04 0.39 2.33 1.57 -1.30 0.45 116.57 120.57 1nxi h LYS 55 Ca 0.58 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.35 1nxi h LYS 55 Cb 1.13 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1nxi h LYS 55 CO -0.35 -0.03 -0.19 0.00 -0.57 0.00 0.00 179.45 178.32 1nxi h ALA 56 N 1.00 -0.79 -0.95 3.86 0.00 -0.46 -2.61 119.26 119.31 1nxi h ALA 56 Ca 0.03 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.07 1nxi h ALA 56 Cb 0.08 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 17.89 1nxi h ALA 56 CO -0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 179.25 178.40 1nxi h ALA 57 N -1.55 1.00 -0.25 0.00 0.00 -1.12 0.55 119.26 117.87 1nxi h ALA 57 Ca -0.05 0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1nxi h ALA 57 Cb 0.40 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1nxi h ALA 57 CO 0.09 -0.51 -0.08 0.28 0.00 0.00 0.00 179.25 179.03 1nxi h VAL 58 N 0.02 0.70 -0.91 0.00 2.07 -0.88 -0.84 116.25 116.41 1nxi h VAL 58 Ca 0.54 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.08 1nxi h VAL 58 Cb 1.04 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1nxi h VAL 58 CO -0.91 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 176.96 1nxi h GLU 59 N -0.03 1.19 0.84 1.57 4.39 0.42 -2.02 114.58 120.93 1nxi h GLU 59 Ca 0.13 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1nxi h GLU 59 Cb 0.22 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1nxi h GLU 59 CO -0.28 0.78 -0.43 0.00 -1.16 0.00 0.00 179.01 177.92 1nxi h ALA 60 N 1.44 -1.17 -0.70 3.43 0.00 0.18 -2.22 119.26 120.21 1nxi h ALA 60 Ca 0.34 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1nxi h ALA 60 Cb -0.12 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 1nxi h ALA 60 CO -0.08 -1.16 0.06 0.35 0.00 0.00 0.00 179.25 178.42 1nxi h PHE 61 N -1.16 0.05 -0.06 0.00 3.57 -0.99 -1.17 116.94 117.18 1nxi h PHE 61 Ca -0.11 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1nxi h PHE 61 Cb 0.90 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1nxi h PHE 61 CO -0.04 -0.17 -0.54 0.87 -2.23 0.00 0.00 178.31 176.21 1nxi h LYS 62 N 0.16 -0.61 -0.25 1.11 1.57 -1.02 -2.27 116.57 115.25 1nxi h LYS 62 Ca 0.38 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.24 1nxi h LYS 62 Cb 0.65 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 1nxi h LYS 62 CO -0.57 -0.41 -0.55 0.52 -0.57 0.00 0.00 179.45 177.88 1nxi h MET 63 N -0.63 -0.49 0.00 3.15 2.86 -0.64 -3.44 114.93 115.74 1nxi h MET 63 Ca 0.02 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1nxi h MET 63 Cb 0.70 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1nxi h MET 63 CO -0.40 -0.33 0.00 0.41 1.06 0.00 0.00 176.91 177.66 1nxi n GLY 64 N -1.41 0.00 3.86 8.32 0.00 -0.82 -5.13 105.19 110.00 1nxi n GLY 64 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 3.39 -1.07 1.61 0.08 -0.99 -4.81 117.98 116.19 1nxi s PHE 65 Ca 0.00 0.21 -0.10 0.00 0.12 0.00 0.00 56.93 57.15 1nxi s PHE 65 Cb 0.00 -1.72 0.26 0.00 -0.57 0.00 0.00 43.02 40.98 1nxi s PHE 65 CO 0.00 0.57 1.08 -1.21 -0.10 0.00 0.00 175.22 175.56 1nxi s GLU 66 N -2.29 4.08 0.11 0.44 8.01 0.13 -3.98 118.70 125.20 1nxi s GLU 66 Ca 0.31 -3.02 -0.31 0.00 0.01 0.00 0.00 54.97 51.96 1nxi s GLU 66 Cb -0.13 -4.58 -0.10 0.00 -4.31 0.00 0.00 34.13 25.01 1nxi s GLU 66 CO 0.23 -1.30 1.86 0.54 0.01 0.00 0.00 175.26 176.60 1nxi s VAL 67 N -0.72 2.60 -0.04 2.63 0.11 -1.26 -1.57 120.40 122.14 1nxi s VAL 67 Ca 0.30 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1nxi s VAL 67 Cb -0.09 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 1nxi s VAL 67 CO -0.08 -0.00 0.10 -0.22 -3.33 0.00 0.00 175.10 171.58 1nxi s LEU 68 N 3.06 4.05 1.00 2.54 0.20 1.16 -4.92 118.68 125.78 1nxi s LEU 68 Ca 0.83 0.25 -0.21 0.00 0.69 0.00 0.00 54.13 55.68 1nxi s LEU 68 Cb -0.46 -2.26 -0.17 0.00 -0.43 0.00 0.00 46.19 42.88 1nxi s LEU 68 CO 0.38 0.31 -1.11 1.21 -0.29 0.00 0.00 176.35 176.84 1nxi n GLU 69 N 1.39 -0.00 -4.05 1.98 4.07 -1.26 -1.97 120.64 120.80 1nxi n GLU 69 Ca -0.14 -0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.69 1nxi n GLU 69 Cb 0.53 -1.00 -0.03 0.00 -0.06 0.00 0.00 31.44 30.88 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nxi s ALA 70 N -2.00 4.15 0.07 4.31 0.00 -1.26 -3.68 121.76 123.35 1nxi s ALA 70 Ca 0.38 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1nxi s ALA 70 Cb -0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1nxi s ALA 70 CO 0.76 -0.30 -0.08 -2.00 0.00 0.00 0.00 175.76 174.14 1nxi s GLU 71 N -4.12 0.67 -0.57 0.00 -6.30 -1.16 -4.85 118.70 102.37 1nxi s GLU 71 Ca 0.33 -0.98 -0.28 0.00 -2.50 0.00 0.00 54.97 51.53 1nxi s GLU 71 Cb -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 34.13 33.81 1nxi s GLU 71 CO 0.19 0.04 1.45 -1.21 0.02 0.00 0.00 175.26 175.75 1nxi s GLU 72 N -2.38 3.25 0.00 4.30 0.41 -1.26 -3.38 118.70 119.64 1nxi s GLU 72 Ca -0.01 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 1nxi s GLU 72 Cb -0.05 -4.15 0.00 0.00 -1.78 0.00 0.00 34.13 28.16 1nxi s GLU 72 CO -0.01 -2.00 0.00 -2.37 -0.49 0.00 0.00 175.26 170.39 1nxi n THR 73 N 6.87 0.00 -3.67 3.63 5.66 -1.24 -4.97 114.28 120.56 1nxi n THR 73 Ca 0.13 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.11 1nxi n THR 73 Cb 0.49 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.26 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 4.00 0.77 0.00 1.09 -1.05 -1.26 -3.73 118.70 118.52 1nxi s GLU 74 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1nxi s GLU 74 Cb 0.00 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1nxi s GLU 74 CO 0.00 -0.35 0.00 -0.25 0.95 0.00 0.00 175.26 175.61 1nxi n ASP 75 N -0.43 0.00 -1.52 0.83 8.00 -1.26 -4.88 116.55 117.29 1nxi n ASP 75 Ca -0.07 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.50 1nxi n ASP 75 Cb 0.61 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 42.04 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nxi n GLU 76 N 0.00 3.73 0.00 -1.24 1.02 -1.26 -4.49 120.64 118.40 1nxi n GLU 76 Ca 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 1nxi n GLU 76 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nxi n ASP 77 N 0.77 0.00 -0.04 1.62 8.00 -1.26 -5.03 116.55 120.61 1nxi n ASP 77 Ca 0.23 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.60 1nxi n ASP 77 Cb 0.89 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.88 1nxi n ASP 77 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1nxi h GLY 78 N 0.00 -0.02 0.00 0.44 0.00 -1.91 -3.45 103.07 98.13 1nxi h GLY 78 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1nxi h GLY 78 CO 0.00 -0.01 0.00 -2.01 0.00 0.00 0.00 176.54 174.52 1nxi n ASN 79 N -4.72 0.00 -2.70 0.19 2.85 -1.26 -4.00 115.26 105.62 1nxi n ASN 79 Ca -0.09 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.33 1nxi n ASN 79 Cb 0.37 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.45 1nxi n ASN 79 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1nxi n LYS 80 N 0.00 0.35 -1.43 1.20 3.00 -1.24 -4.80 118.16 115.23 1nxi n LYS 80 Ca 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 58.31 57.15 1nxi n LYS 80 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 34.39 1nxi n LYS 80 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1nxi n LEU 81 N 1.95 0.00 -4.32 3.14 -0.00 -1.24 -4.98 117.00 111.54 1nxi n LEU 81 Ca 0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.78 1nxi n LEU 81 Cb 0.66 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.92 1nxi n LEU 81 CO -0.07 -0.02 -0.57 -0.76 -0.00 0.00 0.00 177.39 175.97 1nxi s LEU 82 N 0.00 2.09 -0.29 1.47 1.02 -1.23 -3.67 118.68 118.08 1nxi s LEU 82 Ca 0.00 -0.51 -0.00 0.00 0.02 0.00 0.00 54.13 53.63 1nxi s LEU 82 Cb 0.00 -1.31 0.09 0.00 0.02 0.00 0.00 46.19 44.99 1nxi s LEU 82 CO 0.00 0.30 0.07 0.00 0.02 0.00 0.00 176.35 176.74 1nxi s PHE 84 N 1.55 3.44 0.18 0.00 -0.71 -0.57 -3.00 117.98 118.86 1nxi s PHE 84 Ca 0.07 0.82 0.05 0.00 -1.04 0.00 0.00 56.93 56.83 1nxi s PHE 84 Cb -0.18 -2.21 -0.04 0.00 -1.21 0.00 0.00 43.02 39.39 1nxi s PHE 84 CO -0.20 0.30 0.20 -0.51 -1.34 0.00 0.00 175.22 173.68 1nxi s ASP 85 N -2.36 5.80 -0.05 1.98 1.01 -0.83 -2.44 116.67 119.79 1nxi s ASP 85 Ca 0.46 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.69 1nxi s ASP 85 Cb -0.11 -1.59 0.01 0.00 1.01 0.00 0.00 42.92 42.24 1nxi s ASP 85 CO 0.22 0.04 -0.09 0.00 0.21 0.00 0.00 175.17 175.55 1nxi s ALA 86 N -1.83 0.96 0.02 5.23 0.00 -0.67 0.37 121.76 125.83 1nxi s ALA 86 Ca 0.32 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.09 1nxi s ALA 86 Cb -0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1nxi s ALA 86 CO 0.25 0.08 -0.19 0.95 0.00 0.00 0.00 175.76 176.86 1nxi s THR 87 N 0.63 2.69 -0.18 0.00 -4.23 -0.61 -1.36 115.64 112.58 1nxi s THR 87 Ca -0.11 -1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1nxi s THR 87 Cb -0.14 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 71.70 1nxi s THR 87 CO 0.02 0.42 0.35 -0.32 -0.54 0.00 0.00 174.62 174.55 1nxi s MET 88 N -1.18 0.26 -0.12 3.99 1.75 -0.84 0.19 119.30 123.34 1nxi s MET 88 Ca 0.13 0.84 -0.29 0.00 -1.25 0.00 0.00 55.69 55.12 1nxi s MET 88 Cb -0.10 0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.58 1nxi s MET 88 CO 0.03 -0.33 1.47 -0.65 -0.65 0.00 0.00 175.02 174.89 1nxi s GLN 89 N 2.53 4.18 -0.03 4.11 -1.52 -1.26 -1.92 119.66 125.74 1nxi s GLN 89 Ca 0.01 1.90 -0.03 0.00 -1.95 0.00 0.00 55.36 55.30 1nxi s GLN 89 Cb -0.13 -3.89 0.01 0.00 -0.22 0.00 0.00 33.01 28.79 1nxi s GLN 89 CO -0.12 -0.81 0.09 0.45 -0.25 0.00 0.00 175.29 174.65 1nxi s SER 90 N 2.76 -0.08 0.45 5.90 0.15 0.26 -4.96 113.70 118.19 1nxi s SER 90 Ca 0.64 0.15 -0.25 0.00 0.70 0.00 0.00 55.95 57.19 1nxi s SER 90 Cb -0.27 0.18 -0.08 0.00 -1.71 0.00 0.00 66.02 64.13 1nxi s SER 90 CO 0.23 -0.05 1.44 0.00 1.20 0.00 0.00 173.24 176.06 1nxi n ALA 91 N 2.95 2.05 -1.57 5.45 0.00 -1.26 -1.63 120.51 126.50 1nxi n ALA 91 Ca -0.13 0.25 -0.44 0.00 0.00 0.00 0.00 53.44 53.12 1nxi n ALA 91 Cb 0.59 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 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 -0.21 3.07 -3.64 0.00 0.00 -1.26 -4.80 117.00 110.15 1nxi n LEU 92 Ca 0.05 0.22 -0.02 0.00 0.00 0.00 0.00 56.01 56.26 1nxi n LEU 92 Cb 0.41 -1.51 -0.07 0.00 0.00 0.00 0.00 43.42 42.26 1nxi n LEU 92 CO 0.59 -0.72 0.71 -1.81 0.00 0.00 0.00 177.39 176.16 1nxi s ASP 93 N 8.27 -0.47 0.06 1.96 1.11 -1.26 -5.04 116.67 121.30 1nxi s ASP 93 Ca 1.02 0.75 -0.24 0.00 0.18 0.00 0.00 52.55 54.27 1nxi s ASP 93 Cb -0.41 1.18 -0.16 0.00 1.07 0.00 0.00 42.92 44.59 1nxi s ASP 93 CO 0.37 -0.12 1.61 0.00 1.18 0.00 0.00 175.17 178.21 1nxi h ALA 94 N 5.92 -0.01 -0.69 5.23 0.00 -1.97 -1.97 119.26 125.77 1nxi h ALA 94 Ca -0.28 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 54.76 1nxi h ALA 94 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1nxi h ALA 94 CO 0.20 -0.44 0.53 -0.22 0.00 0.00 0.00 179.25 179.31 1nxi h LYS 95 N -0.14 0.00 0.02 0.00 3.64 -1.98 0.16 116.57 118.27 1nxi h LYS 95 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nxi h LYS 95 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nxi h LYS 95 CO 0.00 0.00 -0.01 1.25 -2.27 0.00 0.00 179.45 178.42 1nxi h LEU 96 N 0.00 -0.02 -1.63 5.20 7.12 -1.72 -2.74 115.31 121.52 1nxi h LEU 96 Ca 0.33 -0.68 -0.04 0.00 0.13 0.00 0.00 57.88 57.62 1nxi h LEU 96 Cb 1.38 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.51 1nxi h LEU 96 CO -0.00 0.69 -0.20 0.40 -0.13 0.00 0.00 178.44 179.19 1nxi h ILE 97 N -0.75 1.03 0.02 4.05 2.04 -0.62 -2.51 117.51 120.77 1nxi h ILE 97 Ca -0.00 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1nxi h ILE 97 Cb 0.70 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1nxi h ILE 97 CO 0.00 0.20 -0.01 -0.78 0.00 0.00 0.00 178.15 177.56 1nxi h ASP 98 N 0.00 -0.03 -0.24 1.72 3.58 -0.75 0.12 116.42 120.82 1nxi h ASP 98 Ca -0.00 -0.37 0.02 0.00 0.42 0.00 0.00 57.03 57.10 1nxi h ASP 98 Cb 0.38 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1nxi h ASP 98 CO 0.03 0.36 0.11 -0.33 -2.88 0.00 0.00 179.24 176.53 1nxi h GLU 99 N -0.41 0.23 -0.59 0.28 4.39 -1.28 -0.71 114.58 116.49 1nxi h GLU 99 Ca -0.00 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1nxi h GLU 99 Cb 0.39 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1nxi h GLU 99 CO 0.01 0.15 0.16 1.96 -1.16 0.00 0.00 179.01 180.13 1nxi h GLN 100 N 0.24 0.93 0.74 2.33 7.50 -1.45 -2.50 115.11 122.90 1nxi h GLN 100 Ca 0.10 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 59.00 1nxi h GLN 100 Cb 0.04 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.44 1nxi h GLN 100 CO -0.08 0.85 -0.42 0.28 -1.50 0.00 0.00 178.83 177.96 1nxi h VAL 101 N 0.84 0.00 -0.85 -0.54 2.07 -0.29 -1.81 116.25 115.67 1nxi h VAL 101 Ca 0.19 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.92 1nxi h VAL 101 Cb 0.33 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.96 1nxi h VAL 101 CO -0.00 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.45 1nxi h GLU 102 N -1.07 0.19 0.29 1.57 5.08 -1.14 0.20 114.58 119.70 1nxi h GLU 102 Ca -0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1nxi h GLU 102 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1nxi h GLU 102 CO 0.12 0.13 -0.33 0.87 -1.00 0.00 0.00 179.01 178.81 1nxi h LYS 103 N 0.20 -0.63 -0.37 2.33 1.79 -1.08 1.00 116.57 119.80 1nxi h LYS 103 Ca 0.52 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 59.01 1nxi h LYS 103 Cb 1.01 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 1nxi h LYS 103 CO -0.65 -0.42 0.15 -0.07 -1.08 0.00 0.00 179.45 177.38 1nxi h LEU 104 N -0.66 0.47 -0.29 2.94 3.38 -0.23 -1.94 115.31 118.99 1nxi h LEU 104 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1nxi h LEU 104 Cb 0.61 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1nxi h LEU 104 CO -0.09 0.43 -0.02 0.58 0.09 0.00 0.00 178.44 179.44 1nxi h VAL 105 N 0.52 1.26 0.52 1.22 2.07 0.06 0.12 116.25 122.03 1nxi h VAL 105 Ca 0.13 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1nxi h VAL 105 Cb 0.10 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1nxi h VAL 105 CO -0.01 0.31 -0.25 0.78 0.02 0.00 0.00 177.57 178.42 1nxi h ASN 106 N 0.30 -0.59 -0.30 0.57 -0.26 -0.44 -2.40 115.58 112.46 1nxi h ASN 106 Ca 0.08 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.80 1nxi h ASN 106 Cb 0.46 0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 1nxi h ASN 106 CO 0.02 -0.31 0.14 0.25 -1.06 0.00 0.00 177.43 176.47 1nxi h LEU 107 N -0.86 0.21 -0.78 1.61 5.85 -1.40 0.15 115.31 120.08 1nxi h LEU 107 Ca -0.07 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.84 1nxi h LEU 107 Cb 0.60 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 1nxi h LEU 107 CO 0.12 0.16 0.21 0.00 -0.34 0.00 0.00 178.44 178.59 1nxi h ALA 108 N 1.16 1.06 0.00 1.25 0.00 -0.70 0.42 119.26 122.44 1nxi h ALA 108 Ca 0.12 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1nxi h ALA 108 Cb 0.05 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1nxi h ALA 108 CO -0.09 -0.36 -0.48 1.49 0.00 0.00 0.00 179.25 179.81 1nxi h GLU 109 N 0.28 0.00 -0.16 0.00 4.22 -0.86 -1.71 114.58 116.35 1nxi h GLU 109 Ca 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.86 1nxi h GLU 109 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1nxi h GLU 109 CO -0.54 0.48 -0.05 -0.22 -2.18 0.00 0.00 179.01 176.50 1nxi h LYS 110 N 0.00 0.24 0.00 1.92 3.64 0.26 -3.37 116.57 119.26 1nxi h LYS 110 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1nxi h LYS 110 Cb 1.27 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1nxi h LYS 110 CO 0.06 0.30 0.00 1.19 -2.27 0.00 0.00 179.45 178.74 1nxi n PHE 111 N -4.35 0.00 0.00 1.91 3.72 -0.73 -5.05 117.46 112.96 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 0.21 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.75 0.00 -4.33 4.37 8.00 -0.99 -5.12 116.55 116.74 1nxi n ASP 112 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1nxi n ASP 112 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 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 2.34 -0.38 0.53 -4.36 -0.68 -4.75 121.20 113.91 1nxi s ILE 113 Ca 0.00 -0.98 -0.24 0.00 -0.26 0.00 0.00 60.65 59.17 1nxi s ILE 113 Cb 0.00 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.86 1nxi s ILE 113 CO 0.00 0.57 0.83 -0.51 0.24 0.00 0.00 174.94 176.08 1nxi s ILE 114 N -0.37 4.67 -0.51 8.37 1.10 -1.24 -4.22 121.20 129.00 1nxi s ILE 114 Ca 0.03 0.92 -0.16 0.00 -0.51 0.00 0.00 60.65 60.93 1nxi s ILE 114 Cb -0.12 -4.27 0.10 0.00 0.15 0.00 0.00 42.46 38.32 1nxi s ILE 114 CO 0.02 -0.51 0.45 -0.47 -2.11 0.00 0.00 174.94 172.31 1nxi s TYR 115 N 3.26 3.25 -0.40 3.50 5.04 -1.26 -3.92 117.35 126.82 1nxi s TYR 115 Ca 0.33 -1.10 0.05 0.00 -2.44 0.00 0.00 57.07 53.91 1nxi s TYR 115 Cb -0.13 -3.48 0.17 0.00 0.35 0.00 0.00 41.96 38.87 1nxi s TYR 115 CO 0.19 -0.91 0.49 0.34 -1.34 0.00 0.00 175.55 174.31 1nxi s ASP 116 N 3.09 0.12 0.00 4.32 2.15 -1.25 -4.97 116.67 120.13 1nxi s ASP 116 Ca 0.04 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 51.53 1nxi s ASP 116 Cb -0.27 1.04 0.00 0.00 -0.30 0.00 0.00 42.92 43.39 1nxi s ASP 116 CO 0.05 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1nxi n GLY 117 N 4.04 -1.77 3.50 2.66 0.00 -1.26 -4.93 105.19 107.43 1nxi n GLY 117 Ca 0.13 0.76 -0.34 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.03 1.61 1.48 -1.26 -0.88 118.94 122.89 1nxi s TRP 118 Ca 0.00 -0.30 -0.05 0.00 -1.06 0.00 0.00 56.10 54.69 1nxi s TRP 118 Cb 0.00 -1.98 0.01 0.00 -1.16 0.00 0.00 33.47 30.34 1nxi s TRP 118 CO 0.00 -0.05 0.12 0.20 -4.06 0.00 0.00 176.95 173.16 1nxi s GLY 119 N 0.45 -0.04 0.56 3.67 0.00 -0.17 -5.00 107.32 106.79 1nxi s GLY 119 Ca -0.03 0.18 0.10 0.00 0.00 0.00 0.00 44.72 44.97 1nxi s GLY 119 CO 0.03 0.11 0.77 -1.08 0.00 0.00 0.00 173.10 172.92 1nxi s THR 120 N -0.39 2.20 -0.04 0.90 -1.32 -1.26 -1.50 115.64 114.22 1nxi s THR 120 Ca -0.05 -1.01 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 1nxi s THR 120 Cb -0.03 -2.21 0.02 0.00 -1.51 0.00 0.00 72.50 68.77 1nxi s THR 120 CO 0.00 0.00 -0.05 -0.47 -2.21 0.00 0.00 174.62 171.90 1nxi s TYR 121 N -2.64 0.73 0.62 9.09 5.04 -1.21 -4.93 117.35 124.05 1nxi s TYR 121 Ca 0.61 -0.19 -0.18 0.00 -2.44 0.00 0.00 57.07 54.87 1nxi s TYR 121 Cb -0.06 -0.63 -0.04 0.00 0.35 0.00 0.00 41.96 41.58 1nxi s TYR 121 CO 0.38 -0.16 0.93 0.98 -1.34 0.00 0.00 175.55 176.34 1nxi n TYR 122 N 3.87 0.68 -0.53 4.97 4.19 -1.26 -4.52 117.16 124.57 1nxi n TYR 122 Ca -0.24 0.43 -0.03 0.00 3.31 0.00 0.00 57.90 61.37 1nxi n TYR 122 Cb 0.52 -2.12 -0.04 0.00 0.49 0.00 0.00 39.34 38.19 1nxi n TYR 122 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1nxi n GLU 123 N -1.08 1.06 0.00 2.98 2.13 -1.26 -4.84 120.64 119.62 1nxi n GLU 123 Ca 0.14 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1nxi n GLU 123 Cb 0.48 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nxi n GLY 124 N 1.85 1.85 3.14 8.31 0.00 -1.26 -5.09 105.19 114.00 1nxi n GLY 124 Ca 0.10 -2.22 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1nxi n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nxi s LEU 125 N 0.00 2.16 -0.53 0.99 1.43 -1.26 -5.09 118.68 116.38 1nxi s LEU 125 Ca 0.00 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1nxi s LEU 125 Cb 0.00 -0.60 0.20 0.00 0.03 0.00 0.00 46.19 45.81 1nxi s LEU 125 CO 0.00 0.04 0.48 -0.62 0.23 0.00 0.00 176.35 176.48 1nxi n GLU 126 N 1.96 1.15 0.00 1.70 1.02 -1.26 -4.77 120.64 120.44 1nxi n GLU 126 Ca -0.18 -3.82 0.00 0.00 -0.02 0.00 0.00 57.16 53.14 1nxi n GLU 126 Cb 0.55 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1nxi n GLU 126 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1nxi n HIS 127 N 2.00 0.00 -2.00 -0.32 8.25 -1.26 -5.13 115.22 116.76 1nxi n HIS 127 Ca 0.25 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.41 1nxi n HIS 127 Cb 0.44 0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.59 1nxi n HIS 127 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1nxi s HIS 128 N 0.00 3.46 0.01 4.41 3.76 -1.26 -5.08 115.29 120.59 1nxi s HIS 128 Ca 0.00 1.08 0.02 0.00 -0.15 0.00 0.00 55.06 56.01 1nxi s HIS 128 Cb 0.00 -2.82 -0.01 0.00 1.11 0.00 0.00 32.58 30.86 1nxi s HIS 128 CO 0.00 -0.86 -0.06 -3.38 -0.85 0.00 0.00 174.74 169.60 1nxi s HIS 129 N -3.19 0.50 0.34 1.40 -3.43 -1.26 -5.16 115.29 104.49 1nxi s HIS 129 Ca 0.55 -0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.66 1nxi s HIS 129 Cb -0.11 -0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 30.68 1nxi s HIS 129 CO 0.51 -0.03 0.09 -1.58 -2.00 0.00 0.00 174.74 171.74 1nxi s HIS 130 N -0.43 1.81 0.00 0.38 5.04 -1.26 -5.09 115.29 115.73 1nxi s HIS 130 Ca -0.01 -1.13 0.00 0.00 -1.54 0.00 0.00 55.06 52.38 1nxi s HIS 130 Cb -0.04 -1.15 0.00 0.00 0.04 0.00 0.00 32.58 31.43 1nxi s HIS 130 CO -0.00 -0.18 0.00 0.72 -2.34 0.00 0.00 174.74 172.94 1nxi n HIS 131 N -0.71 0.00 0.00 3.88 8.25 -1.26 -5.33 115.22 120.05 1nxi n HIS 131 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1nxi n HIS 131 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1nxi n HIS 131 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59