#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi h SER 2 N 0.00 0.00 0.00 3.17 0.87 -2.03 -3.43 113.55 112.12 1nxi h SER 2 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nxi h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1nxi h SER 2 CO 0.00 0.00 0.00 1.57 -0.53 0.00 0.00 176.83 177.87 1nxi n HIS 3 N -3.76 0.00 -2.80 2.24 -0.00 -1.26 -4.51 115.22 105.13 1nxi n HIS 3 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.82 1nxi n HIS 3 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.77 1nxi n HIS 3 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1nxi n GLN 4 N 0.00 -3.05 0.00 1.57 6.02 -1.26 -5.01 117.38 115.64 1nxi n GLN 4 Ca 0.00 2.50 0.00 0.00 -0.01 0.00 0.00 57.00 59.49 1nxi n GLN 4 Cb 0.00 -4.41 0.00 0.00 1.02 0.00 0.00 30.24 26.85 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1nxi n ASP 5 N 1.04 0.00 0.00 1.08 8.00 -1.26 -5.05 116.55 120.36 1nxi n ASP 5 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1nxi n ASP 5 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1nxi n ASP 5 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nxi n ASP 6 N 0.00 0.00 -3.06 -2.24 9.92 -1.26 -4.99 116.55 114.92 1nxi n ASP 6 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1nxi n ASP 6 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1nxi n ASP 6 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1nxi n TYR 7 N -0.42 -0.53 -1.40 1.24 4.01 -1.26 -5.05 117.16 113.75 1nxi n TYR 7 Ca 0.00 -3.36 -0.16 0.00 -0.16 0.00 0.00 57.90 54.22 1nxi n TYR 7 Cb 0.00 0.09 -0.15 0.00 -0.31 0.00 0.00 39.34 38.96 1nxi n TYR 7 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1nxi n LEU 8 N 0.27 -1.04 -4.60 7.72 4.32 -1.26 -4.78 117.00 117.63 1nxi n LEU 8 Ca 0.20 -0.95 -0.43 0.00 -0.02 0.00 0.00 56.01 54.80 1nxi n LEU 8 Cb 0.68 -0.75 -0.02 0.00 -1.62 0.00 0.00 43.42 41.71 1nxi n LEU 8 CO 0.17 -1.74 1.13 -0.55 -1.22 0.00 0.00 177.39 175.19 1nxi s SER 9 N 1.80 6.49 0.46 -1.43 0.15 -1.26 -4.84 113.70 115.07 1nxi s SER 9 Ca 0.95 0.67 0.30 0.00 0.70 0.00 0.00 55.95 58.57 1nxi s SER 9 Cb -0.53 -2.54 1.64 0.00 -1.71 0.00 0.00 66.02 62.88 1nxi s SER 9 CO 0.36 -1.34 1.92 -0.37 1.20 0.00 0.00 173.24 175.02 1nxi h VAL 10 N 6.34 0.00 0.41 4.45 -1.51 -1.99 -2.54 116.25 121.42 1nxi h VAL 10 Ca -0.25 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 1nxi h VAL 10 Cb 1.08 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1nxi h VAL 10 CO 1.11 0.00 -0.20 -0.33 -1.23 0.00 0.00 177.57 176.92 1nxi h GLU 11 N 0.00 -0.54 -0.65 5.19 5.08 -1.98 -0.21 114.58 121.48 1nxi h GLU 11 Ca 0.00 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1nxi h GLU 11 Cb 0.03 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1nxi h GLU 11 CO 0.00 -0.27 0.43 1.05 -1.00 0.00 0.00 179.01 179.22 1nxi h GLU 12 N -1.06 0.51 -0.26 2.33 4.11 -1.87 -0.91 114.58 117.43 1nxi h GLU 12 Ca -0.06 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 1nxi h GLU 12 Cb 0.52 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nxi h GLU 12 CO 0.09 0.34 -0.27 -0.07 0.07 0.00 0.00 179.01 179.18 1nxi h LEU 13 N 0.53 0.69 -1.11 3.06 3.38 -1.47 -2.56 115.31 117.83 1nxi h LEU 13 Ca 0.29 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1nxi h LEU 13 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1nxi h LEU 13 CO -0.09 1.02 0.39 0.40 0.09 0.00 0.00 178.44 180.25 1nxi h ILE 14 N 0.37 1.22 0.57 1.22 2.04 0.17 -2.55 117.51 120.54 1nxi h ILE 14 Ca 0.04 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1nxi h ILE 14 Cb 0.83 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1nxi h ILE 14 CO 0.07 0.25 -0.27 -0.33 0.00 0.00 0.00 178.15 177.86 1nxi h GLU 15 N 1.02 -0.74 -0.06 2.37 4.39 -1.09 -1.40 114.58 119.07 1nxi h GLU 15 Ca 0.26 0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.02 1nxi h GLU 15 Cb 0.04 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1nxi h GLU 15 CO -0.04 -0.44 -0.16 0.82 -1.16 0.00 0.00 179.01 178.03 1nxi h ILE 16 N -0.92 0.00 -1.04 3.13 2.04 -1.30 0.66 117.51 120.09 1nxi h ILE 16 Ca -0.08 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.09 1nxi h ILE 16 Cb 0.64 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.58 1nxi h ILE 16 CO 0.13 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.45 1nxi h GLN 17 N -0.16 0.35 -0.97 2.37 4.20 -1.51 0.75 115.11 120.14 1nxi h GLN 17 Ca 0.01 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1nxi h GLN 17 Cb 0.19 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 1nxi h GLN 17 CO -0.14 0.23 0.63 -0.22 -0.67 0.00 0.00 178.83 178.67 1nxi h LYS 18 N 0.36 1.15 0.21 1.46 3.64 0.26 0.01 116.57 123.65 1nxi h LYS 18 Ca 0.71 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 60.01 1nxi h LYS 18 Cb 1.66 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1nxi h LYS 18 CO -0.53 0.76 -0.10 0.93 -2.27 0.00 0.00 179.45 178.24 1nxi h GLU 19 N 1.18 -0.27 -0.11 1.90 5.08 0.15 -2.50 114.58 120.02 1nxi h GLU 19 Ca 0.40 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.80 1nxi h GLU 19 Cb 0.08 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1nxi h GLU 19 CO -0.14 0.03 -0.48 0.93 -1.00 0.00 0.00 179.01 178.36 1nxi h GLU 20 N -0.98 -0.50 -0.13 2.33 4.39 -1.13 -1.48 114.58 117.07 1nxi h GLU 20 Ca -0.03 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1nxi h GLU 20 Cb 0.43 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 1nxi h GLU 20 CO 0.05 -0.33 -0.37 1.15 -1.16 0.00 0.00 179.01 178.34 1nxi h THR 21 N -0.52 0.00 -1.18 1.13 2.02 -1.12 0.22 112.91 113.46 1nxi h THR 21 Ca 0.03 0.00 0.44 0.00 0.77 0.00 0.00 66.41 67.64 1nxi h THR 21 Cb 0.60 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.86 1nxi h THR 21 CO -0.38 0.00 0.72 -1.14 0.37 0.00 0.00 175.52 175.09 1nxi n ARG 22 N -4.52 -0.04 -0.05 6.66 0.63 -0.94 0.14 116.66 118.54 1nxi n ARG 22 Ca -0.04 1.25 -0.12 0.00 -0.92 0.00 0.00 57.85 58.02 1nxi n ARG 22 Cb 0.25 -2.37 -0.06 0.00 0.45 0.00 0.00 32.46 30.73 1nxi n ARG 22 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1nxi h ASP 23 N 0.00 0.27 0.76 6.15 5.19 0.46 -2.69 116.42 126.56 1nxi h ASP 23 Ca 0.83 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.86 1nxi h ASP 23 Cb 2.50 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 41.94 1nxi h ASP 23 CO -0.56 0.55 -0.36 0.40 -3.12 0.00 0.00 179.24 176.15 1nxi h ILE 24 N -0.01 0.00 -0.96 0.35 2.04 0.19 -2.22 117.51 116.90 1nxi h ILE 24 Ca 0.04 -0.15 0.23 0.00 1.00 0.00 0.00 64.86 65.99 1nxi h ILE 24 Cb 0.43 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.32 1nxi h ILE 24 CO 0.01 0.00 -0.09 -0.38 0.00 0.00 0.00 178.15 177.69 1nxi n ILE 25 N -5.14 -0.40 -0.25 -0.67 2.08 -0.38 0.17 119.36 114.78 1nxi n ILE 25 Ca -0.13 2.15 -0.05 0.00 0.56 0.00 0.00 62.75 65.28 1nxi n ILE 25 Cb 0.40 -3.07 0.05 0.00 -0.75 0.00 0.00 39.64 36.27 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 0.92 0.48 0.38 1.08 -1.33 -0.95 115.11 115.69 1nxi h GLN 26 Ca 0.53 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.65 1nxi h GLN 26 Cb 0.99 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1nxi h GLN 26 CO -0.94 0.61 -0.23 0.00 -0.95 0.00 0.00 178.83 177.32 1nxi h ALA 27 N 1.25 -1.11 -0.75 3.87 0.00 0.24 -2.06 119.26 120.70 1nxi h ALA 27 Ca 0.26 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1nxi h ALA 27 Cb -0.11 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 1nxi h ALA 27 CO -0.05 -1.06 -0.29 -0.07 0.00 0.00 0.00 179.25 177.78 1nxi h LEU 28 N -0.67 -1.03 -1.64 0.00 3.38 -1.10 1.28 115.31 115.53 1nxi h LEU 28 Ca -0.07 0.25 0.25 0.00 0.09 0.00 0.00 57.88 58.40 1nxi h LEU 28 Cb 0.49 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1nxi h LEU 28 CO 0.11 -0.28 0.65 -0.07 0.09 0.00 0.00 178.44 178.93 1nxi h LEU 29 N -0.06 0.28 -0.21 1.67 3.38 -1.07 4.57 115.31 123.86 1nxi h LEU 29 Ca 0.32 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 58.11 1nxi h LEU 29 Cb 0.57 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1nxi h LEU 29 CO -0.80 0.09 -0.83 -0.08 0.09 0.00 0.00 178.44 176.91 1nxi h GLU 30 N 0.27 0.60 -0.73 1.13 4.81 0.23 -3.18 114.58 117.71 1nxi h GLU 30 Ca 0.50 -0.54 -0.42 0.00 -0.13 0.00 0.00 59.36 58.77 1nxi h GLU 30 Cb 1.49 0.13 -0.41 0.00 0.63 0.00 0.00 28.75 30.58 1nxi h GLU 30 CO -0.15 1.16 -0.96 -0.25 -0.73 0.00 0.00 179.01 178.08 1nxi n ASP 31 N -3.86 3.30 -0.43 1.04 9.92 0.85 -4.75 116.55 122.62 1nxi n ASP 31 Ca -0.07 -2.99 -0.00 0.00 -0.53 0.00 0.00 54.79 51.20 1nxi n ASP 31 Cb 0.77 -0.42 -0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1nxi n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nxi n GLY 32 N -0.58 -0.33 3.53 0.44 0.00 1.47 -4.87 105.19 104.85 1nxi n GLY 32 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 1.26 -2.76 1.61 2.88 -1.13 -4.47 113.62 111.00 1nxi n SER 33 Ca -0.02 -2.51 -0.12 0.00 -1.33 0.00 0.00 58.87 54.90 1nxi n SER 33 Cb 0.23 -1.18 0.01 0.00 -0.75 0.00 0.00 64.21 62.53 1nxi n SER 33 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nxi n ASP 34 N 14.75 1.59 0.29 -3.46 9.92 -1.26 -4.90 116.55 133.47 1nxi n ASP 34 Ca 0.44 -2.86 0.19 0.00 -0.53 0.00 0.00 54.79 52.03 1nxi n ASP 34 Cb 0.45 -0.54 0.89 0.00 -0.64 0.00 0.00 41.12 41.27 1nxi n ASP 34 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nxi h PRO 35 N 2.97 0.00 -0.00 -0.24 0.13 -1.92 -1.84 132.00 131.10 1nxi h PRO 35 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1nxi h PRO 35 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1nxi h PRO 35 CO 0.53 0.00 -0.18 -3.47 -0.23 0.00 0.00 178.00 174.65 1nxi n ASP 36 N -2.98 0.46 -1.15 1.44 2.03 -1.26 -3.34 116.55 111.75 1nxi n ASP 36 Ca -0.01 -0.38 0.09 0.00 0.52 0.00 0.00 54.79 55.01 1nxi n ASP 36 Cb 0.19 -0.06 0.27 0.00 -0.72 0.00 0.00 41.12 40.80 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nxi n ALA 37 N -1.11 2.49 -1.34 -1.67 0.00 -0.69 -5.04 120.51 113.15 1nxi n ALA 37 Ca 0.11 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1nxi n ALA 37 Cb 0.31 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1nxi n ALA 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nxi n LEU 38 N 1.21 -1.97 -4.62 0.00 -0.00 -1.21 -5.02 117.00 105.38 1nxi n LEU 38 Ca 0.20 2.56 -0.27 0.00 -0.00 0.00 0.00 56.01 58.50 1nxi n LEU 38 Cb 0.54 -2.38 -0.10 0.00 -0.00 0.00 0.00 43.42 41.48 1nxi n LEU 38 CO 0.15 0.25 -0.29 -0.31 -0.00 0.00 0.00 177.39 177.19 1nxi s TYR 39 N -3.45 2.52 -0.20 1.96 1.51 -0.78 -4.93 117.35 113.97 1nxi s TYR 39 Ca 0.00 -0.64 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 1nxi s TYR 39 Cb 0.00 -1.75 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1nxi s TYR 39 CO 0.00 0.44 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.77 1nxi s GLU 40 N -3.72 2.13 0.33 -0.62 2.12 -1.26 -1.01 118.70 116.66 1nxi s GLU 40 Ca 0.35 -0.88 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 1nxi s GLU 40 Cb 0.08 -2.46 -0.06 0.00 0.26 0.00 0.00 34.13 31.95 1nxi s GLU 40 CO 0.18 -0.42 0.63 0.42 -0.54 0.00 0.00 175.26 175.53 1nxi s ILE 41 N 1.36 4.93 -0.05 -3.70 -1.09 -0.86 -3.72 121.20 118.07 1nxi s ILE 41 Ca -0.01 0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1nxi s ILE 41 Cb -0.16 -3.73 0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1nxi s ILE 41 CO -0.08 -0.38 0.02 -0.70 -1.23 0.00 0.00 174.94 172.58 1nxi s GLU 42 N -3.61 0.27 -0.05 2.79 2.12 0.16 -2.27 118.70 118.11 1nxi s GLU 42 Ca 0.47 0.21 0.05 0.00 0.36 0.00 0.00 54.97 56.05 1nxi s GLU 42 Cb -0.11 -0.68 -0.02 0.00 0.26 0.00 0.00 34.13 33.58 1nxi s GLU 42 CO 0.30 -0.28 -0.18 -1.01 -0.54 0.00 0.00 175.26 173.55 1nxi s HIS 43 N 1.84 2.59 -0.12 5.30 3.76 0.08 -1.03 115.29 127.72 1nxi s HIS 43 Ca 0.02 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1nxi s HIS 43 Cb -0.12 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 1nxi s HIS 43 CO -0.04 0.05 -0.13 -1.01 -0.85 0.00 0.00 174.74 172.76 1nxi s HIS 44 N -0.53 2.80 0.03 1.40 3.76 0.43 -0.40 115.29 122.78 1nxi s HIS 44 Ca 0.07 -0.58 0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1nxi s HIS 44 Cb -0.11 -1.82 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 1nxi s HIS 44 CO 0.01 -0.16 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.15 1nxi s LEU 45 N 0.22 2.20 0.05 0.89 1.02 -0.55 -4.15 118.68 118.36 1nxi s LEU 45 Ca -0.08 -0.46 0.03 0.00 0.02 0.00 0.00 54.13 53.64 1nxi s LEU 45 Cb -0.15 -0.23 -0.03 0.00 0.02 0.00 0.00 46.19 45.80 1nxi s LEU 45 CO 0.05 -0.13 -0.09 0.72 0.02 0.00 0.00 176.35 176.92 1nxi s PHE 46 N -1.09 0.82 0.30 0.29 -0.71 -1.26 -0.77 117.98 115.56 1nxi s PHE 46 Ca -0.07 -0.51 0.04 0.00 -1.04 0.00 0.00 56.93 55.35 1nxi s PHE 46 Cb -0.08 -0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 41.22 1nxi s PHE 46 CO 0.00 -0.05 0.28 0.00 -1.34 0.00 0.00 175.22 174.11 1nxi s ALA 47 N -1.49 1.50 -0.08 1.99 0.00 -0.96 -4.09 121.76 118.64 1nxi s ALA 47 Ca -0.07 -1.89 -0.06 0.00 0.00 0.00 0.00 51.96 49.95 1nxi s ALA 47 Cb -0.09 1.40 -0.04 0.00 0.00 0.00 0.00 23.12 24.39 1nxi s ALA 47 CO 0.01 -0.67 -0.14 0.39 0.00 0.00 0.00 175.76 175.34 1nxi n GLU 48 N -0.53 0.23 -2.53 0.00 1.02 -1.26 -3.70 120.64 113.86 1nxi n GLU 48 Ca 0.05 0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 1nxi n GLU 48 Cb 0.63 -0.89 -0.03 0.00 -0.02 0.00 0.00 31.44 31.13 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 -5.99 6.13 0.14 1.62 2.15 -1.26 -4.81 116.67 114.65 1nxi s ASP 49 Ca -0.14 -0.43 0.02 0.00 0.43 0.00 0.00 52.55 52.43 1nxi s ASP 49 Cb 0.05 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 40.21 1nxi s ASP 49 CO 0.19 -1.86 0.73 2.22 -0.17 0.00 0.00 175.17 176.28 1nxi n PHE 50 N 9.52 0.06 0.04 -5.34 1.16 -1.26 -1.23 117.46 120.40 1nxi n PHE 50 Ca 0.04 0.03 -0.02 0.00 -1.87 0.00 0.00 57.45 55.63 1nxi n PHE 50 Cb 0.49 -0.14 -0.01 0.00 -1.61 0.00 0.00 39.48 38.21 1nxi n PHE 50 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 1nxi h ASP 51 N 0.00 -0.12 0.00 5.98 5.19 -2.00 -2.66 116.42 122.81 1nxi h ASP 51 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nxi h ASP 51 Cb 0.98 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1nxi h ASP 51 CO 0.00 0.03 0.00 0.07 -3.12 0.00 0.00 179.24 176.22 1nxi h LYS 52 N -0.37 0.00 0.29 3.56 2.10 -1.58 -2.15 116.57 118.42 1nxi h LYS 52 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1nxi h LYS 52 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1nxi h LYS 52 CO 0.02 0.00 -0.14 1.25 -2.00 0.00 0.00 179.45 178.58 1nxi h LEU 53 N 0.00 -0.33 -2.93 7.07 6.46 -1.49 -1.35 115.31 122.74 1nxi h LEU 53 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1nxi h LEU 53 Cb 0.00 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1nxi h LEU 53 CO 0.00 -0.03 0.01 -0.08 -0.62 0.00 0.00 178.44 177.72 1nxi h GLU 54 N -0.81 0.00 0.08 1.25 4.81 -1.28 -0.51 114.58 118.13 1nxi h GLU 54 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1nxi h GLU 54 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1nxi h GLU 54 CO 0.07 0.00 -0.04 0.87 -0.73 0.00 0.00 179.01 179.18 1nxi h LYS 55 N 0.00 -0.10 -0.12 1.92 1.79 -1.36 -2.22 116.57 116.48 1nxi h LYS 55 Ca 0.00 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1nxi h LYS 55 Cb 0.02 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1nxi h LYS 55 CO -0.00 0.35 -0.07 0.00 -1.08 0.00 0.00 179.45 178.65 1nxi h ALA 56 N -0.45 1.65 0.10 3.86 0.00 -0.84 -2.71 119.26 120.88 1nxi h ALA 56 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nxi h ALA 56 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nxi h ALA 56 CO 0.02 0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 1nxi h ALA 57 N 1.75 -0.14 -0.14 0.00 0.00 -1.16 -2.49 119.26 117.08 1nxi h ALA 57 Ca 0.04 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1nxi h ALA 57 Cb 0.25 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1nxi h ALA 57 CO 0.01 -0.38 -0.38 0.28 0.00 0.00 0.00 179.25 178.77 1nxi h VAL 58 N -0.52 0.19 -0.46 0.00 2.07 -1.14 -1.28 116.25 115.11 1nxi h VAL 58 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1nxi h VAL 58 Cb 0.43 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.29 1nxi h VAL 58 CO 0.02 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.28 1nxi h GLU 59 N -0.45 -0.15 -0.74 1.57 4.57 -1.51 0.93 114.58 118.80 1nxi h GLU 59 Ca 0.09 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.44 1nxi h GLU 59 Cb 0.60 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 29.09 1nxi h GLU 59 CO -0.39 -0.10 -0.01 0.00 -1.18 0.00 0.00 179.01 177.32 1nxi h ALA 60 N 1.06 0.74 -0.12 2.92 0.00 -0.78 0.33 119.26 123.40 1nxi h ALA 60 Ca 0.21 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.41 1nxi h ALA 60 Cb 0.49 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1nxi h ALA 60 CO -0.56 -0.42 -0.28 0.35 0.00 0.00 0.00 179.25 178.35 1nxi h PHE 61 N 0.09 -0.76 -0.95 0.00 3.57 -0.03 0.21 116.94 119.08 1nxi h PHE 61 Ca 0.40 0.03 0.26 0.00 3.53 0.00 0.00 57.97 62.19 1nxi h PHE 61 Cb 0.69 0.35 -0.13 0.00 2.79 0.00 0.00 35.95 39.65 1nxi h PHE 61 CO -0.43 -0.36 0.48 -0.22 -2.23 0.00 0.00 178.31 175.55 1nxi h LYS 62 N -0.35 0.40 0.58 1.11 1.63 -0.51 -0.77 116.57 118.66 1nxi h LYS 62 Ca 0.10 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1nxi h LYS 62 Cb 0.50 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1nxi h LYS 62 CO -0.33 0.26 -0.28 0.52 -3.45 0.00 0.00 179.45 176.18 1nxi h MET 63 N 0.41 -0.76 0.00 1.90 2.86 -0.52 -3.47 114.93 115.35 1nxi h MET 63 Ca 0.63 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 1nxi h MET 63 Cb 1.28 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.12 1nxi h MET 63 CO -0.55 -0.45 0.00 0.41 1.06 0.00 0.00 176.91 177.38 1nxi n GLY 64 N -0.93 0.00 3.54 8.32 0.00 -0.29 -5.13 105.19 110.70 1nxi n GLY 64 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 2.73 -1.28 1.61 0.08 -1.17 -4.81 117.98 115.14 1nxi s PHE 65 Ca 0.00 -0.15 -0.10 0.00 0.12 0.00 0.00 56.93 56.81 1nxi s PHE 65 Cb 0.00 -1.51 0.17 0.00 -0.57 0.00 0.00 43.02 41.11 1nxi s PHE 65 CO 0.00 0.34 1.84 0.39 -0.10 0.00 0.00 175.22 177.70 1nxi n GLU 66 N 1.34 3.60 -1.42 0.44 4.71 0.52 -4.44 120.64 125.40 1nxi n GLU 66 Ca -0.15 -3.55 -0.39 0.00 -0.01 0.00 0.00 57.16 53.06 1nxi n GLU 66 Cb 0.52 -2.93 0.03 0.00 -1.01 0.00 0.00 31.44 28.04 1nxi n GLU 66 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1nxi n VAL 67 N 3.43 1.67 -4.13 2.62 3.14 -1.26 -2.32 118.33 121.48 1nxi n VAL 67 Ca 0.40 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 61.11 1nxi n VAL 67 Cb 0.37 -0.51 -0.12 0.00 -1.06 0.00 0.00 33.84 32.52 1nxi n VAL 67 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1nxi s LEU 68 N 1.87 2.27 1.21 6.55 1.43 0.34 -4.86 118.68 127.50 1nxi s LEU 68 Ca 0.65 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.99 1nxi s LEU 68 Cb -0.49 -0.39 0.25 0.00 0.03 0.00 0.00 46.19 45.59 1nxi s LEU 68 CO 0.58 -0.12 0.60 -0.62 0.23 0.00 0.00 176.35 177.01 1nxi n GLU 69 N 1.34 -2.76 -4.74 1.70 1.02 -1.26 -2.13 120.64 113.81 1nxi n GLU 69 Ca -0.22 -0.80 -0.33 0.00 -0.02 0.00 0.00 57.16 55.79 1nxi n GLU 69 Cb 0.54 -1.90 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nxi n ALA 70 N -4.97 0.45 -3.37 0.62 0.00 -1.26 -3.73 120.51 108.25 1nxi n ALA 70 Ca 0.04 -2.34 -0.13 0.00 0.00 0.00 0.00 53.44 51.01 1nxi n ALA 70 Cb 0.56 1.28 -0.12 0.00 0.00 0.00 0.00 19.45 21.16 1nxi n ALA 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1nxi s GLU 71 N -3.89 0.24 -0.50 0.00 2.12 -1.25 -4.88 118.70 110.54 1nxi s GLU 71 Ca 0.00 0.40 -0.44 0.00 0.36 0.00 0.00 54.97 55.29 1nxi s GLU 71 Cb -0.00 0.02 -0.19 0.00 0.26 0.00 0.00 34.13 34.22 1nxi s GLU 71 CO 0.00 -0.09 2.04 0.39 -0.54 0.00 0.00 175.26 177.06 1nxi n GLU 72 N 3.49 0.01 -0.93 4.30 1.02 -1.26 -4.25 120.64 123.03 1nxi n GLU 72 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1nxi n GLU 72 Cb 0.56 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1nxi n THR 73 N 6.03 0.00 -3.63 2.62 5.66 -0.40 -4.90 114.28 119.66 1nxi n THR 73 Ca 0.50 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.37 1nxi n THR 73 Cb -0.04 -0.34 -0.07 0.00 -1.55 0.00 0.00 70.33 68.32 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 -0.37 0.81 0.00 1.09 -1.05 -1.26 -2.87 118.70 115.05 1nxi s GLU 74 Ca 0.00 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.85 1nxi s GLU 74 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1nxi s GLU 74 CO 0.00 -0.11 0.00 -3.47 0.95 0.00 0.00 175.26 172.63 1nxi n ASP 75 N 2.94 0.00 -0.61 0.83 -0.08 -1.26 -4.91 116.55 113.47 1nxi n ASP 75 Ca -0.15 -0.54 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 1nxi n ASP 75 Cb 0.56 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.04 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 -0.54 1.18 0.00 -0.67 1.02 -1.26 -3.07 120.64 117.31 1nxi n GLU 76 Ca 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1nxi n GLU 76 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 0.06 2.12 -0.79 1.62 9.92 -1.26 -5.02 116.55 123.20 1nxi n ASP 77 Ca 0.01 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1nxi n ASP 77 Cb 0.32 0.63 0.00 0.00 -0.64 0.00 0.00 41.12 41.43 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 1.27 -0.06 3.34 0.44 0.00 -1.17 -5.11 105.19 103.89 1nxi n GLY 78 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 1nxi n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nxi s ASN 79 N -0.51 -0.48 -0.33 1.61 3.84 -1.26 -4.94 114.94 112.86 1nxi s ASN 79 Ca 0.00 1.09 -0.28 0.00 0.21 0.00 0.00 52.86 53.88 1nxi s ASN 79 Cb 0.00 1.60 -0.04 0.00 -0.55 0.00 0.00 41.25 42.26 1nxi s ASN 79 CO 0.00 -0.23 2.05 -0.54 -2.79 0.00 0.00 177.10 175.59 1nxi s LYS 80 N 2.69 3.02 0.30 0.43 1.02 -1.26 -4.05 119.74 121.89 1nxi s LYS 80 Ca -0.01 1.59 0.11 0.00 0.02 0.00 0.00 55.97 57.67 1nxi s LYS 80 Cb -0.12 -4.34 -0.05 0.00 -0.52 0.00 0.00 37.83 32.80 1nxi s LYS 80 CO -0.15 -2.23 -0.14 -0.51 -0.92 0.00 0.00 175.35 171.40 1nxi s LEU 81 N 8.39 2.73 -0.20 3.17 1.02 -1.14 -4.87 118.68 127.77 1nxi s LEU 81 Ca 0.89 -1.02 -0.10 0.00 0.02 0.00 0.00 54.13 53.92 1nxi s LEU 81 Cb -0.25 -1.17 -0.05 0.00 0.02 0.00 0.00 46.19 44.74 1nxi s LEU 81 CO 0.32 -0.04 0.13 -0.76 0.02 0.00 0.00 176.35 176.02 1nxi s LEU 82 N -3.57 4.18 -0.33 1.79 1.43 -1.24 -1.28 118.68 119.66 1nxi s LEU 82 Ca 0.31 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1nxi s LEU 82 Cb -0.03 -2.09 0.10 0.00 0.03 0.00 0.00 46.19 44.20 1nxi s LEU 82 CO 0.16 0.16 0.06 0.00 0.23 0.00 0.00 176.35 176.97 1nxi s PHE 84 N 1.13 3.51 0.44 0.00 -0.71 0.05 -3.81 117.98 118.58 1nxi s PHE 84 Ca 0.11 0.71 0.07 0.00 -1.04 0.00 0.00 56.93 56.77 1nxi s PHE 84 Cb -0.18 -2.19 -0.03 0.00 -1.21 0.00 0.00 43.02 39.41 1nxi s PHE 84 CO -0.13 -0.05 0.24 0.34 -1.34 0.00 0.00 175.22 174.28 1nxi s ASP 85 N -3.69 4.56 -0.24 1.98 -1.08 -0.91 -1.48 116.67 115.81 1nxi s ASP 85 Ca 0.46 -1.07 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 1nxi s ASP 85 Cb -0.10 -0.33 0.13 0.00 -1.46 0.00 0.00 42.92 41.16 1nxi s ASP 85 CO 0.37 -0.66 0.37 0.00 0.52 0.00 0.00 175.17 175.77 1nxi s ALA 86 N -2.61 -1.04 0.23 3.66 0.00 0.46 0.13 121.76 122.60 1nxi s ALA 86 Ca 0.40 0.91 0.06 0.00 0.00 0.00 0.00 51.96 53.33 1nxi s ALA 86 Cb 0.02 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1nxi s ALA 86 CO 0.22 -1.21 0.26 0.95 0.00 0.00 0.00 175.76 175.98 1nxi s THR 87 N 2.54 4.83 -0.30 0.00 -4.23 -0.98 -0.74 115.64 116.76 1nxi s THR 87 Ca 0.11 -1.17 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1nxi s THR 87 Cb -0.15 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.24 1nxi s THR 87 CO -0.15 -0.31 0.67 -0.32 -0.54 0.00 0.00 174.62 173.96 1nxi s MET 88 N -3.81 0.55 -0.10 3.99 1.75 -0.96 0.20 119.30 120.92 1nxi s MET 88 Ca 0.33 1.27 -0.30 0.00 -1.25 0.00 0.00 55.69 55.75 1nxi s MET 88 Cb -0.09 0.75 -0.02 0.00 2.84 0.00 0.00 34.83 38.31 1nxi s MET 88 CO 0.27 -0.31 1.18 -0.65 -0.65 0.00 0.00 175.02 174.86 1nxi s GLN 89 N 2.86 4.32 -0.00 4.11 -0.21 -1.26 -2.04 119.66 127.45 1nxi s GLN 89 Ca 0.02 1.62 -0.26 0.00 0.02 0.00 0.00 55.36 56.76 1nxi s GLN 89 Cb -0.12 -3.61 0.06 0.00 1.00 0.00 0.00 33.01 30.33 1nxi s GLN 89 CO -0.19 -0.51 0.57 0.45 -2.12 0.00 0.00 175.29 173.49 1nxi s SER 90 N 1.55 -0.52 1.01 5.90 0.15 -0.18 -4.96 113.70 116.65 1nxi s SER 90 Ca 0.54 0.42 -0.15 0.00 0.70 0.00 0.00 55.95 57.45 1nxi s SER 90 Cb -0.23 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1nxi s SER 90 CO 0.19 -0.64 0.15 0.00 1.20 0.00 0.00 173.24 174.13 1nxi n ALA 91 N 0.73 -3.38 -2.70 5.45 0.00 -1.26 -1.86 120.51 117.48 1nxi n ALA 91 Ca -0.19 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 51.96 1nxi n ALA 91 Cb 0.58 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1nxi n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nxi s LEU 92 N -0.34 4.70 -0.20 0.00 2.96 -1.26 -4.65 118.68 119.89 1nxi s LEU 92 Ca 0.55 -0.70 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1nxi s LEU 92 Cb -0.17 -2.57 0.09 0.00 0.50 0.00 0.00 46.19 44.04 1nxi s LEU 92 CO 0.68 -0.95 0.44 -1.81 -1.32 0.00 0.00 176.35 173.39 1nxi s ASP 93 N 2.63 -0.37 0.06 3.68 1.01 -1.26 -4.93 116.67 117.49 1nxi s ASP 93 Ca 0.20 1.03 -0.16 0.00 0.71 0.00 0.00 52.55 54.33 1nxi s ASP 93 Cb -0.17 1.35 -0.06 0.00 1.01 0.00 0.00 42.92 45.05 1nxi s ASP 93 CO 0.15 -0.23 1.26 0.00 0.21 0.00 0.00 175.17 176.56 1nxi h ALA 94 N 8.00 -0.62 -0.49 5.23 0.00 -1.98 -0.16 119.26 129.24 1nxi h ALA 94 Ca -0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1nxi h ALA 94 Cb 1.12 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1nxi h ALA 94 CO 0.14 -0.72 -0.29 0.87 0.00 0.00 0.00 179.25 179.25 1nxi h LYS 95 N -0.25 -0.01 -0.85 0.00 1.57 -1.99 0.28 116.57 115.33 1nxi h LYS 95 Ca 0.02 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1nxi h LYS 95 Cb 0.31 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.49 1nxi h LYS 95 CO -0.22 -0.00 -0.44 1.25 -0.57 0.00 0.00 179.45 179.46 1nxi h LEU 96 N -0.01 -1.59 -2.02 2.94 5.85 -1.86 2.40 115.31 121.03 1nxi h LEU 96 Ca 0.08 0.29 0.14 0.00 0.84 0.00 0.00 57.88 59.23 1nxi h LEU 96 Cb 0.21 0.76 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1nxi h LEU 96 CO -0.47 -0.29 0.40 0.40 -0.34 0.00 0.00 178.44 178.14 1nxi h ILE 97 N -0.08 0.56 0.33 4.05 2.04 0.13 -1.21 117.51 123.33 1nxi h ILE 97 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 1nxi h ILE 97 Cb 0.55 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1nxi h ILE 97 CO -0.87 0.00 -0.16 -0.78 0.00 0.00 0.00 178.15 176.34 1nxi h ASP 98 N 0.00 -0.38 -0.62 1.72 3.58 0.70 -0.90 116.42 120.52 1nxi h ASP 98 Ca 0.22 -0.16 0.10 0.00 0.42 0.00 0.00 57.03 57.61 1nxi h ASP 98 Cb 1.02 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 1nxi h ASP 98 CO -0.00 0.06 0.41 -0.33 -2.88 0.00 0.00 179.24 176.50 1nxi h GLU 99 N -0.94 0.43 0.44 0.28 5.08 -0.43 0.19 114.58 119.62 1nxi h GLU 99 Ca -0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1nxi h GLU 99 Cb 0.52 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nxi h GLU 99 CO 0.08 0.28 -0.21 1.96 -1.00 0.00 0.00 179.01 180.12 1nxi h GLN 100 N 0.44 -0.57 -0.73 2.33 4.20 -1.19 -1.91 115.11 117.69 1nxi h GLN 100 Ca 0.29 0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.16 1nxi h GLN 100 Cb 0.53 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.35 1nxi h GLN 100 CO -0.08 -0.38 0.31 0.28 -0.67 0.00 0.00 178.83 178.29 1nxi h VAL 101 N -0.95 0.71 -0.90 -0.54 2.07 -0.90 0.16 116.25 115.90 1nxi h VAL 101 Ca -0.06 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1nxi h VAL 101 Cb 0.45 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1nxi h VAL 101 CO 0.10 0.09 0.58 -0.08 0.02 0.00 0.00 177.57 178.28 1nxi h GLU 102 N 0.47 0.89 -0.43 1.57 4.81 -0.65 0.18 114.58 121.42 1nxi h GLU 102 Ca 0.39 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1nxi h GLU 102 Cb 0.55 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1nxi h GLU 102 CO -0.37 0.59 -0.05 0.87 -0.73 0.00 0.00 179.01 179.32 1nxi h LYS 103 N 0.92 0.79 -0.10 1.92 1.57 0.13 -1.78 116.57 120.02 1nxi h LYS 103 Ca 0.41 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1nxi h LYS 103 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1nxi h LYS 103 CO -0.18 0.88 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.13 1nxi h LEU 104 N 0.62 0.21 -0.52 2.94 3.38 -0.43 -2.45 115.31 119.05 1nxi h LEU 104 Ca 0.11 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1nxi h LEU 104 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nxi h LEU 104 CO 0.03 0.59 -0.26 0.58 0.09 0.00 0.00 178.44 179.47 1nxi h VAL 105 N 0.17 1.27 0.16 1.22 2.07 -0.39 -0.74 116.25 120.01 1nxi h VAL 105 Ca 0.02 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1nxi h VAL 105 Cb 0.77 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1nxi h VAL 105 CO 0.06 0.48 -0.08 0.78 0.02 0.00 0.00 177.57 178.84 1nxi h ASN 106 N 0.79 -0.18 0.04 0.57 -0.26 -1.14 -2.67 115.58 112.74 1nxi h ASN 106 Ca 0.09 -0.30 0.01 0.00 -0.56 0.00 0.00 56.30 55.54 1nxi h ASN 106 Cb 0.83 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 1nxi h ASN 106 CO 0.07 0.23 -0.06 0.25 -1.06 0.00 0.00 177.43 176.86 1nxi h LEU 107 N -0.63 -0.17 -0.47 1.61 5.85 -1.47 -0.07 115.31 119.96 1nxi h LEU 107 Ca -0.02 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1nxi h LEU 107 Cb 0.47 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 1nxi h LEU 107 CO 0.04 -0.10 -0.43 0.00 -0.34 0.00 0.00 178.44 177.61 1nxi h ALA 108 N 0.82 -0.39 0.00 1.25 0.00 -1.17 0.92 119.26 120.69 1nxi h ALA 108 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nxi h ALA 108 Cb 0.14 0.92 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nxi h ALA 108 CO -0.03 -0.85 0.00 0.93 0.00 0.00 0.00 179.25 179.29 1nxi h GLU 109 N -0.29 0.00 0.00 0.00 4.39 -1.24 -1.86 114.58 115.58 1nxi h GLU 109 Ca 0.15 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 1nxi h GLU 109 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1nxi h GLU 109 CO -0.62 0.00 -0.25 -0.22 -1.16 0.00 0.00 179.01 176.76 1nxi h LYS 110 N 0.00 0.00 0.00 2.33 3.64 0.28 -3.41 116.57 119.41 1nxi h LYS 110 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nxi h LYS 110 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1nxi h LYS 110 CO 0.00 0.25 0.00 1.19 -2.27 0.00 0.00 179.45 178.62 1nxi n PHE 111 N -3.25 0.00 0.00 1.91 3.01 -0.64 -5.06 117.46 113.43 1nxi n PHE 111 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1nxi n PHE 111 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1nxi n PHE 111 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nxi n ASP 112 N -1.64 0.00 -4.46 4.37 8.00 -0.93 -5.11 116.55 116.77 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 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1nxi s ILE 113 N 0.00 2.50 -0.25 0.53 -4.36 -1.14 -4.87 121.20 113.61 1nxi s ILE 113 Ca 0.00 -2.19 -0.08 0.00 -0.26 0.00 0.00 60.65 58.11 1nxi s ILE 113 Cb 0.00 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 1nxi s ILE 113 CO 0.00 -0.26 0.10 -0.51 0.24 0.00 0.00 174.94 174.51 1nxi s ILE 114 N -2.10 4.63 -0.40 8.37 1.10 -1.26 -4.29 121.20 127.26 1nxi s ILE 114 Ca 0.26 -0.06 -0.16 0.00 -0.51 0.00 0.00 60.65 60.17 1nxi s ILE 114 Cb -0.06 -3.17 0.01 0.00 0.15 0.00 0.00 42.46 39.38 1nxi s ILE 114 CO 0.13 0.32 0.38 -0.47 -2.11 0.00 0.00 174.94 173.20 1nxi s TYR 115 N 1.56 3.20 -0.52 3.50 6.14 -1.26 -4.30 117.35 125.66 1nxi s TYR 115 Ca 0.06 -0.32 0.07 0.00 0.64 0.00 0.00 57.07 57.52 1nxi s TYR 115 Cb -0.15 -2.76 0.19 0.00 0.42 0.00 0.00 41.96 39.66 1nxi s TYR 115 CO 0.06 -0.60 0.75 -0.40 0.64 0.00 0.00 175.55 175.99 1nxi n ASP 116 N 5.44 -3.41 0.00 4.32 5.75 -1.26 -5.04 116.55 122.35 1nxi n ASP 116 Ca -0.09 -2.94 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 1nxi n ASP 116 Cb 0.48 1.76 0.00 0.00 -1.03 0.00 0.00 41.12 42.33 1nxi n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nxi n GLY 117 N 2.83 -1.87 3.59 6.12 0.00 -1.26 -4.98 105.19 109.62 1nxi n GLY 117 Ca 0.17 0.84 -0.31 0.00 0.00 0.00 0.00 46.02 46.72 1nxi n GLY 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nxi s TRP 118 N 0.00 2.85 0.23 1.61 1.48 -1.26 -0.43 118.94 123.42 1nxi s TRP 118 Ca 0.00 -0.08 -0.22 0.00 -1.06 0.00 0.00 56.10 54.75 1nxi s TRP 118 Cb 0.00 -1.55 0.06 0.00 -1.16 0.00 0.00 33.47 30.81 1nxi s TRP 118 CO 0.00 0.39 0.91 0.20 -4.06 0.00 0.00 176.95 174.38 1nxi s GLY 119 N -1.69 0.02 0.21 3.67 0.00 -0.20 -5.01 107.32 104.31 1nxi s GLY 119 Ca 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.61 1nxi s GLY 119 CO 0.10 0.57 0.21 -1.08 0.00 0.00 0.00 173.10 172.90 1nxi s THR 120 N -2.88 0.00 -0.05 0.90 -1.32 -1.26 -0.66 115.64 110.37 1nxi s THR 120 Ca 0.15 -1.85 0.03 0.00 -1.21 0.00 0.00 61.69 58.82 1nxi s THR 120 Cb -0.03 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 1nxi s THR 120 CO 0.06 -0.02 -0.15 -0.31 -2.21 0.00 0.00 174.62 171.99 1nxi s TYR 121 N -4.12 1.58 0.22 9.09 1.51 -1.24 -5.00 117.35 119.39 1nxi s TYR 121 Ca 0.34 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 1nxi s TYR 121 Cb 0.05 -1.09 -0.08 0.00 -0.11 0.00 0.00 41.96 40.73 1nxi s TYR 121 CO 0.11 -0.20 1.03 -0.47 -1.11 0.00 0.00 175.55 174.91 1nxi s TYR 122 N 0.24 3.75 -0.57 2.71 5.04 -1.26 -4.60 117.35 122.66 1nxi s TYR 122 Ca -0.07 1.76 -0.27 0.00 -2.44 0.00 0.00 57.07 56.05 1nxi s TYR 122 Cb -0.13 -3.15 -0.01 0.00 0.35 0.00 0.00 41.96 39.02 1nxi s TYR 122 CO 0.03 -0.12 1.77 -1.21 -1.34 0.00 0.00 175.55 174.67 1nxi s GLU 123 N -0.88 2.83 0.00 4.97 8.01 -1.26 -4.66 118.70 127.71 1nxi s GLU 123 Ca 0.45 0.66 0.00 0.00 0.01 0.00 0.00 54.97 56.09 1nxi s GLU 123 Cb -0.28 -4.32 0.00 0.00 -4.31 0.00 0.00 34.13 25.22 1nxi s GLU 123 CO 0.35 -2.49 0.00 0.41 0.01 0.00 0.00 175.26 173.54 1nxi n GLY 124 N 5.59 0.24 3.51 -1.39 0.00 -1.26 -5.06 105.19 106.83 1nxi n GLY 124 Ca 0.19 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.99 -1.04 0.99 4.77 -1.26 -4.90 117.00 111.57 1nxi n LEU 125 Ca 0.00 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1nxi n LEU 125 Cb 0.00 -2.80 0.22 0.00 -2.33 0.00 0.00 43.42 38.51 1nxi n LEU 125 CO 0.00 0.32 0.71 -0.62 -1.33 0.00 0.00 177.39 176.46 1nxi n GLU 126 N -3.85 2.20 -3.30 3.23 1.02 -1.26 -4.84 120.64 113.84 1nxi n GLU 126 Ca -0.14 -3.03 -0.45 0.00 -0.02 0.00 0.00 57.16 53.52 1nxi n GLU 126 Cb 0.63 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1nxi n GLU 126 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1nxi n HIS 127 N -0.92 5.16 -1.83 -0.32 -0.00 -1.26 -4.90 115.22 111.14 1nxi n HIS 127 Ca 0.29 -3.83 -0.38 0.00 0.46 0.00 0.00 57.72 54.26 1nxi n HIS 127 Cb 0.98 -1.73 -0.02 0.00 -0.12 0.00 0.00 29.99 29.11 1nxi n HIS 127 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1nxi n HIS 128 N 2.82 2.42 -3.14 1.57 1.44 -1.26 -4.70 115.22 114.37 1nxi n HIS 128 Ca 0.25 -2.75 0.05 0.00 -2.01 0.00 0.00 57.72 53.26 1nxi n HIS 128 Cb 0.39 -1.87 0.00 0.00 0.12 0.00 0.00 29.99 28.63 1nxi n HIS 128 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1nxi s HIS 129 N -0.73 -0.80 0.00 -1.40 3.76 -1.26 -5.01 115.29 109.84 1nxi s HIS 129 Ca 0.57 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 1nxi s HIS 129 Cb 0.21 0.14 0.00 0.00 1.11 0.00 0.00 32.58 34.03 1nxi s HIS 129 CO -0.10 -0.47 0.13 -2.39 -0.85 0.00 0.00 174.74 171.06 1nxi n HIS 130 N 5.13 0.00 -1.21 1.40 1.44 -1.26 -4.86 115.22 115.85 1nxi n HIS 130 Ca 0.08 -0.01 -0.20 0.00 -2.01 0.00 0.00 57.72 55.58 1nxi n HIS 130 Cb 0.57 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.56 1nxi n HIS 130 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1nxi n HIS 131 N -0.01 0.82 -0.09 -1.40 -0.00 -1.26 -5.32 115.22 107.96 1nxi n HIS 131 Ca 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 57.72 55.86 1nxi n HIS 131 Cb 0.21 -1.66 0.00 0.00 -0.00 0.00 0.00 29.99 28.55 1nxi n HIS 131 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06