#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxh n GLY 4 N 0.00 1.31 0.11 -1.84 0.00 -1.26 -4.22 105.19 99.30 1nxh n GLY 4 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1nxh n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nxh h GLU 5 N 2.38 0.09 0.00 1.61 4.22 -2.12 -3.28 114.58 117.48 1nxh h GLU 5 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1nxh h GLU 5 Cb 0.45 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nxh h GLU 5 CO 0.00 0.06 0.00 -0.11 -2.18 0.00 0.00 179.01 176.78 1nxh n LEU 6 N -5.12 0.00 0.00 1.64 7.94 -1.26 -2.38 117.00 117.82 1nxh n LEU 6 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1nxh n LEU 6 Cb 0.11 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1nxh n LEU 6 CO 0.26 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 177.08 1nxh n ARG 8 N 0.00 0.00 0.00 1.96 5.12 -1.24 -4.66 116.66 117.84 1nxh n ARG 8 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1nxh n ARG 8 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1nxh n ARG 8 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1nxh n LEU 9 N 0.00 2.44 0.00 0.55 7.94 -1.00 -2.00 117.00 124.92 1nxh n LEU 9 Ca 0.00 -1.22 0.00 0.00 -1.11 0.00 0.00 56.01 53.68 1nxh n LEU 9 Cb 0.00 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.47 1nxh n LEU 9 CO 0.00 0.43 0.00 2.29 -1.11 0.00 0.00 177.39 179.00 1nxh n LYS 11 N 0.40 0.00 0.10 1.96 2.85 -1.26 0.12 118.16 122.33 1nxh n LYS 11 Ca 0.00 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.45 1nxh n LYS 11 Cb 0.43 0.00 0.75 0.00 -0.65 0.00 0.00 35.03 35.56 1nxh n LYS 11 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1nxh h ARG 12 N 0.00 0.00 -0.24 -1.58 9.65 -1.78 0.45 114.38 120.88 1nxh h ARG 12 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1nxh h ARG 12 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1nxh h ARG 12 CO 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 179.97 182.71 1nxh h ARG 13 N 0.00 0.46 -0.17 0.20 3.08 -0.59 -2.11 114.38 115.25 1nxh h ARG 13 Ca 0.17 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1nxh h ARG 13 Cb 0.84 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1nxh h ARG 13 CO -0.00 0.68 0.00 0.82 -1.07 0.00 0.00 179.97 180.40 1nxh h ILE 14 N 0.20 1.25 -0.65 2.04 2.04 -0.44 -1.81 117.51 120.13 1nxh h ILE 14 Ca 0.06 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1nxh h ILE 14 Cb 0.51 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1nxh h ILE 14 CO 0.02 0.25 0.43 -0.07 0.00 0.00 0.00 178.15 178.79 1nxh h LEU 15 N 0.06 0.61 0.00 1.44 3.38 -1.14 0.56 115.31 120.22 1nxh h LEU 15 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nxh h LEU 15 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1nxh h LEU 15 CO 0.01 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.33 1nxh n GLU 16 N -4.47 0.99 -0.58 1.13 1.02 -0.79 -4.08 120.64 113.86 1nxh n GLU 16 Ca 0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.93 1nxh n GLU 16 Cb 0.19 -1.34 0.22 0.00 -0.02 0.00 0.00 31.44 30.50 1nxh n GLU 16 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nxh s SER 17 N -1.67 1.67 -0.13 1.62 0.15 0.19 -4.88 113.70 110.66 1nxh s SER 17 Ca 0.32 1.80 -0.13 0.00 0.70 0.00 0.00 55.95 58.64 1nxh s SER 17 Cb 0.15 -2.43 -0.11 0.00 -1.71 0.00 0.00 66.02 61.92 1nxh s SER 17 CO 0.25 -3.82 0.27 0.22 1.20 0.00 0.00 173.24 171.36 1nxh h TYR 18 N -2.36 0.00 -0.94 3.44 3.20 -1.88 -2.90 116.97 115.53 1nxh h TYR 18 Ca -0.54 0.00 0.24 0.00 3.14 0.00 0.00 58.73 61.56 1nxh h TYR 18 Cb 1.31 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.51 1nxh h TYR 18 CO 0.36 0.47 0.63 0.07 -1.64 0.00 0.00 178.16 178.06 1nxh h ARG 19 N -1.00 0.28 0.36 1.82 0.11 -1.94 -0.40 114.38 113.62 1nxh h ARG 19 Ca -0.03 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1nxh h ARG 19 Cb 0.51 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.53 1nxh h ARG 19 CO -0.02 0.19 -0.17 -1.49 0.10 0.00 0.00 179.97 178.58 1nxh h TRP 20 N 0.29 -0.45 -0.97 4.08 4.06 -1.85 -1.69 115.95 119.43 1nxh h TRP 20 Ca 0.49 -0.01 0.28 0.00 2.06 0.00 0.00 58.89 61.71 1nxh h TRP 20 Cb 1.41 0.15 -0.14 0.00 -1.00 0.00 0.00 29.16 29.58 1nxh h TRP 20 CO -0.00 -0.28 0.49 1.96 -3.56 0.00 0.00 178.44 177.05 1nxh h GLN 21 N -0.96 0.34 0.04 0.49 1.08 -1.15 0.58 115.11 115.53 1nxh h GLN 21 Ca -0.05 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 56.88 1nxh h GLN 21 Cb 0.37 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1nxh h GLN 21 CO 0.08 0.23 -1.27 0.93 -0.95 0.00 0.00 178.83 177.84 1nxh h GLU 22 N 0.35 0.09 0.00 1.46 4.39 -1.18 -2.12 114.58 117.58 1nxh h GLU 22 Ca 0.67 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1nxh h GLU 22 Cb 1.44 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1nxh h GLU 22 CO -0.59 0.97 -1.51 -0.25 -1.16 0.00 0.00 179.01 176.47 1nxh n ASP 23 N -3.35 0.64 0.00 1.42 10.43 -0.57 -4.41 116.55 120.72 1nxh n ASP 23 Ca -0.08 -0.38 0.00 0.00 2.57 0.00 0.00 54.79 56.90 1nxh n ASP 23 Cb 0.99 1.54 0.00 0.00 1.84 0.00 0.00 41.12 45.50 1nxh n ASP 23 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1nxh n VAL 24 N -1.90 0.00 -0.17 2.53 0.31 0.19 -4.71 118.33 114.58 1nxh n VAL 24 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1nxh n VAL 24 Cb 0.43 -0.38 0.07 0.00 -0.91 0.00 0.00 33.84 33.06 1nxh n VAL 24 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1nxh h VAL 25 N 0.00 0.62 0.20 2.52 2.07 -1.66 -1.19 116.25 118.81 1nxh h VAL 25 Ca 0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1nxh h VAL 25 Cb 0.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1nxh h VAL 25 CO 0.00 0.03 -0.10 0.50 0.02 0.00 0.00 177.57 178.02 1nxh h LYS 26 N 0.16 -0.26 -0.91 1.57 3.64 -1.60 -3.35 116.57 115.83 1nxh h LYS 26 Ca 0.27 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.92 1nxh h LYS 26 Cb 0.41 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.13 1nxh h LYS 26 CO -0.41 -0.12 0.16 -1.35 -2.27 0.00 0.00 179.45 175.46 1nxh h PRO 27 N -1.06 0.11 -2.60 1.90 0.11 -1.73 -2.24 132.00 126.48 1nxh h PRO 27 Ca -0.03 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 1nxh h PRO 27 Cb 0.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1nxh h PRO 27 CO 0.05 0.07 0.15 1.28 -0.21 0.00 0.00 178.00 179.34 1nxh n LEU 28 N -5.33 2.10 -0.50 2.35 4.77 -0.45 -3.66 117.00 116.27 1nxh n LEU 28 Ca 0.22 -1.57 0.13 0.00 -0.03 0.00 0.00 56.01 54.75 1nxh n LEU 28 Cb 0.72 -0.57 0.30 0.00 -2.33 0.00 0.00 43.42 41.54 1nxh n LEU 28 CO 0.01 0.38 0.65 -1.20 -1.33 0.00 0.00 177.39 175.90 1nxh n SER 29 N 2.81 1.73 0.00 -1.43 7.64 -0.85 -4.32 113.62 119.20 1nxh n SER 29 Ca 0.17 -1.40 0.02 0.00 1.01 0.00 0.00 58.87 58.67 1nxh n SER 29 Cb 0.37 0.13 0.13 0.00 -1.01 0.00 0.00 64.21 63.83 1nxh n SER 29 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nxh n ARG 30 N 0.10 0.15 -1.85 1.43 5.12 -1.24 -1.84 116.66 118.54 1nxh n ARG 30 Ca 0.14 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.77 1nxh n ARG 30 Cb 0.42 -1.45 0.04 0.00 -1.16 0.00 0.00 32.46 30.31 1nxh n ARG 30 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1nxh n GLU 31 N -0.95 3.24 -1.03 5.56 4.71 -1.26 -4.71 120.64 126.19 1nxh n GLU 31 Ca 0.03 -3.88 -0.05 0.00 -0.01 0.00 0.00 57.16 53.26 1nxh n GLU 31 Cb 0.02 -2.28 -0.02 0.00 -1.01 0.00 0.00 31.44 28.15 1nxh n GLU 31 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1nxh n LEU 32 N -0.74 0.32 -0.29 -4.62 4.77 -1.09 -2.95 117.00 112.40 1nxh n LEU 32 Ca 0.50 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1nxh n LEU 32 Cb 0.78 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 1nxh n LEU 32 CO 0.53 -0.89 0.00 1.21 -1.33 0.00 0.00 177.39 176.91 1nxh n GLU 33 N 0.10 -0.47 -2.52 3.23 4.07 -0.76 -3.82 120.64 120.46 1nxh n GLU 33 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1nxh n GLU 33 Cb 0.48 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 1nxh n GLU 33 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1nxh n ILE 34 N -0.29 0.00 -2.01 6.31 -6.64 -1.15 -2.65 119.36 112.93 1nxh n ILE 34 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1nxh n ILE 34 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 1nxh n ILE 34 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1nxh n ASP 35 N 0.60 -2.03 -0.15 7.28 9.92 -1.25 -3.98 116.55 126.94 1nxh n ASP 35 Ca 0.00 1.17 -0.01 0.00 -0.53 0.00 0.00 54.79 55.43 1nxh n ASP 35 Cb 0.00 -2.30 0.01 0.00 -0.64 0.00 0.00 41.12 38.19 1nxh n ASP 35 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1nxh n VAL 36 N 1.91 -0.21 -0.17 2.53 0.31 -1.08 0.28 118.33 121.90 1nxh n VAL 36 Ca 0.00 0.91 -0.05 0.00 -0.01 0.00 0.00 64.34 65.20 1nxh n VAL 36 Cb 0.00 -1.19 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 1nxh n VAL 36 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1nxh n GLU 37 N -4.56 -0.18 0.15 5.55 2.13 -1.26 -0.93 120.64 121.53 1nxh n GLU 37 Ca 0.04 0.88 -0.14 0.00 0.66 0.00 0.00 57.16 58.59 1nxh n GLU 37 Cb 0.15 -1.29 -0.08 0.00 0.27 0.00 0.00 31.44 30.48 1nxh n GLU 37 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1nxh h GLU 38 N 0.00 -0.69 -0.83 5.31 5.08 -0.30 -2.40 114.58 120.75 1nxh h GLU 38 Ca 0.07 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 1nxh h GLU 38 Cb 0.17 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.43 1nxh h GLU 38 CO -0.39 -0.46 -0.25 0.34 -1.00 0.00 0.00 179.01 177.25 1nxh n PHE 39 N -5.02 0.19 -0.25 4.33 7.35 -0.11 0.18 117.46 124.13 1nxh n PHE 39 Ca -0.08 1.02 0.06 0.00 -0.76 0.00 0.00 57.45 57.68 1nxh n PHE 39 Cb 0.36 -0.91 0.19 0.00 0.35 0.00 0.00 39.48 39.47 1nxh n PHE 39 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1nxh h GLN 40 N 0.00 0.33 -0.22 -4.13 4.15 -0.68 0.30 115.11 114.86 1nxh h GLN 40 Ca 0.36 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.67 1nxh h GLN 40 Cb 0.56 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1nxh h GLN 40 CO -0.84 0.22 -0.24 -0.44 -1.93 0.00 0.00 178.83 175.59 1nxh h ASP 41 N 0.34 0.41 -0.06 -0.69 3.32 0.21 -2.84 116.42 117.11 1nxh h ASP 41 Ca 0.42 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1nxh h ASP 41 Cb 0.69 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1nxh h ASP 41 CO -0.47 0.65 0.02 0.40 -1.72 0.00 0.00 179.24 178.12 1nxh h ILE 42 N 0.36 1.18 0.00 0.35 2.04 0.12 0.81 117.51 122.37 1nxh h ILE 42 Ca 0.06 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1nxh h ILE 42 Cb 0.63 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1nxh h ILE 42 CO 0.04 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.53 1nxh n LEU 43 N -4.92 0.00 0.00 1.44 4.77 0.64 0.87 117.00 119.80 1nxh n LEU 43 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1nxh n LEU 43 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1nxh n LEU 43 CO 0.34 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.73 1nxh n ASP 45 N 0.66 0.00 -0.01 -1.43 -0.08 0.28 -1.29 116.55 114.68 1nxh n ASP 45 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1nxh n ASP 45 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 1nxh n ASP 45 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1nxh h LYS 46 N 0.00 0.00 -6.84 -0.67 1.79 0.24 -3.47 116.57 107.62 1nxh h LYS 46 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1nxh h LYS 46 Cb 0.00 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.73 1nxh h LYS 46 CO 0.00 0.00 0.76 -0.51 -1.08 0.00 0.00 179.45 178.62 1nxh s LEU 47 N -4.95 4.37 0.00 2.94 1.43 -0.41 -5.16 118.68 116.89 1nxh s LEU 47 Ca -0.02 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1nxh s LEU 47 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1nxh s LEU 47 CO 0.02 -0.75 0.00 -0.90 0.23 0.00 0.00 176.35 174.96 1nxh n ASP 48 N 1.50 0.00 0.00 2.29 5.75 -1.26 -4.88 116.55 119.94 1nxh n ASP 48 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1nxh n ASP 48 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1nxh n ASP 48 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1nxh n SER 50 N 0.00 0.00 0.17 -1.12 7.64 -1.26 -1.81 113.62 117.23 1nxh n SER 50 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1nxh n SER 50 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1nxh n SER 50 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1nxh h SER 51 N 0.00 -1.06 -0.62 6.43 0.02 -1.99 -2.97 113.55 113.37 1nxh h SER 51 Ca 0.00 0.11 0.12 0.00 -0.84 0.00 0.00 61.79 61.17 1nxh h SER 51 Cb 0.00 0.38 -0.09 0.00 0.14 0.00 0.00 62.40 62.84 1nxh h SER 51 CO 0.00 -0.48 0.15 -0.07 -1.14 0.00 0.00 176.83 175.28 1nxh h LEU 52 N -0.68 0.03 -5.41 5.07 3.38 -1.70 -0.74 115.31 115.27 1nxh h LEU 52 Ca 0.00 0.11 -0.70 0.00 0.09 0.00 0.00 57.88 57.39 1nxh h LEU 52 Cb 0.66 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 1nxh h LEU 52 CO -0.15 0.02 2.41 -0.62 0.09 0.00 0.00 178.44 180.19 1nxh n GLU 53 N -5.11 4.21 0.00 1.13 1.02 -1.12 -3.21 120.64 117.56 1nxh n GLU 53 Ca 0.09 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 1nxh n GLU 53 Cb 0.33 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1nxh n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nxh n ALA 54 N 1.95 0.00 0.44 0.62 0.00 -0.76 -4.93 120.51 117.83 1nxh n ALA 54 Ca 0.64 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.89 1nxh n ALA 54 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 1nxh n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nxh h LEU 55 N 0.00 -1.11 -0.50 0.00 3.38 -1.13 -3.29 115.31 112.66 1nxh h LEU 55 Ca 0.00 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1nxh h LEU 55 Cb 0.00 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1nxh h LEU 55 CO 0.00 -0.73 -0.39 -0.74 0.09 0.00 0.00 178.44 176.68 1nxh h HIS 56 N -1.18 -1.22 -0.58 1.13 2.76 -1.89 0.88 115.15 115.06 1nxh h HIS 56 Ca -0.11 0.07 0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1nxh h HIS 56 Cb 0.93 0.60 -0.11 0.00 1.55 0.00 0.00 27.41 30.37 1nxh h HIS 56 CO -0.04 -0.28 -0.24 -1.35 -1.30 0.00 0.00 177.93 174.72 1nxh h PRO 57 N -0.11 -0.09 -0.69 5.26 0.11 -1.97 0.88 132.00 135.38 1nxh h PRO 57 Ca 0.08 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.30 1nxh h PRO 57 Cb 0.33 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 1nxh h PRO 57 CO -0.53 -0.06 0.46 -0.09 -0.21 0.00 0.00 178.00 177.57 1nxh h ARG 58 N -0.09 0.53 -0.30 1.05 2.43 -1.11 -0.42 114.38 116.46 1nxh h ARG 58 Ca 0.26 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 1nxh h ARG 58 Cb 0.50 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1nxh h ARG 58 CO -0.64 0.35 -0.30 0.35 -1.51 0.00 0.00 179.97 178.22 1nxh h PHE 59 N 0.54 0.88 -0.12 2.20 3.57 0.74 -3.09 116.94 121.66 1nxh h PHE 59 Ca 0.32 -0.26 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1nxh h PHE 59 Cb 0.52 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1nxh h PHE 59 CO -0.00 1.02 -0.22 0.93 -2.23 0.00 0.00 178.31 177.81 1nxh h GLU 60 N 0.49 0.21 -0.00 1.11 4.39 0.14 -1.43 114.58 119.49 1nxh h GLU 60 Ca 0.05 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1nxh h GLU 60 Cb 0.87 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1nxh h GLU 60 CO 0.07 0.43 -0.03 -1.13 -1.16 0.00 0.00 179.01 177.20 1nxh n SER 61 N -4.19 0.11 -0.00 1.42 3.41 -0.59 -3.47 113.62 110.31 1nxh n SER 61 Ca -0.01 -0.35 0.02 0.00 -0.26 0.00 0.00 58.87 58.27 1nxh n SER 61 Cb 0.33 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1nxh n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nxh n ALA 62 N -1.17 2.27 -0.31 7.33 0.00 -1.01 -4.65 120.51 122.97 1nxh n ALA 62 Ca 0.15 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1nxh n ALA 62 Cb 0.23 -0.14 0.27 0.00 0.00 0.00 0.00 19.45 19.82 1nxh n ALA 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1nxh h ARG 63 N 0.00 0.07 0.51 0.00 9.65 -1.30 0.12 114.38 123.42 1nxh h ARG 63 Ca 0.00 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1nxh h ARG 63 Cb 0.15 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1nxh h ARG 63 CO 0.00 0.05 -0.24 -1.00 2.80 0.00 0.00 179.97 181.57 1nxh h PRO 64 N 0.07 -0.65 -0.68 0.20 0.13 -1.82 -2.22 132.00 127.02 1nxh h PRO 64 Ca 0.56 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 65.86 1nxh h PRO 64 Cb 1.14 0.15 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1nxh h PRO 64 CO -0.81 -0.38 0.20 -0.09 -0.23 0.00 0.00 178.00 176.69 1nxh h ARG 65 N -0.81 0.32 0.00 0.86 2.43 -1.53 -0.35 114.38 115.31 1nxh h ARG 65 Ca -0.07 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1nxh h ARG 65 Cb 0.58 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1nxh h ARG 65 CO 0.11 0.21 -0.23 0.00 -1.51 0.00 0.00 179.97 178.56 1nxh h ILE 67 N 0.00 1.31 -0.25 0.00 2.04 -0.47 -2.60 117.51 117.54 1nxh h ILE 67 Ca -0.00 -2.41 0.03 0.00 1.00 0.00 0.00 64.86 63.48 1nxh h ILE 67 Cb 0.54 2.69 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 1nxh h ILE 67 CO 0.03 0.73 0.07 0.03 0.00 0.00 0.00 178.15 179.01 1nxh h ARG 68 N 0.21 0.17 -0.24 2.37 3.08 -1.05 0.19 114.38 119.11 1nxh h ARG 68 Ca -0.17 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.93 1nxh h ARG 68 Cb 1.83 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.77 1nxh h ARG 68 CO 0.22 0.11 -0.29 0.93 -1.07 0.00 0.00 179.97 179.87 1nxh h GLU 69 N 0.17 -0.29 -0.36 0.04 5.08 -1.46 0.39 114.58 118.16 1nxh h GLU 69 Ca 0.11 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1nxh h GLU 69 Cb 0.10 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1nxh h GLU 69 CO -0.13 -0.19 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.46 1nxh h LYS 70 N -0.30 0.09 0.22 2.33 3.64 -0.97 -1.30 116.57 120.28 1nxh h LYS 70 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1nxh h LYS 70 Cb 0.51 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1nxh h LYS 70 CO -0.41 0.06 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.54 1nxh h LEU 71 N 0.10 -0.61 -0.72 5.20 3.38 0.57 0.26 115.31 123.49 1nxh h LEU 71 Ca 0.18 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.36 1nxh h LEU 71 Cb 0.25 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.08 1nxh h LEU 71 CO -0.30 -0.33 0.03 -0.74 0.09 0.00 0.00 178.44 177.19 1nxh h HIS 72 N -0.48 -0.00 0.48 1.13 2.76 0.17 0.23 115.15 119.43 1nxh h HIS 72 Ca -0.00 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1nxh h HIS 72 Cb 0.45 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1nxh h HIS 72 CO -0.16 -0.20 -0.23 1.03 -1.30 0.00 0.00 177.93 177.07 1nxh h SER 73 N 0.13 -0.54 -0.94 3.26 0.87 -0.68 -0.69 113.55 114.96 1nxh h SER 73 Ca 0.39 0.02 0.25 0.00 -1.23 0.00 0.00 61.79 61.22 1nxh h SER 73 Cb 0.67 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.72 1nxh h SER 73 CO -0.61 -0.30 0.65 0.44 -0.53 0.00 0.00 176.83 176.49 1nxh h ASP 74 N -0.82 0.16 -0.42 6.23 3.45 -0.14 0.90 116.42 125.78 1nxh h ASP 74 Ca -0.07 0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.29 1nxh h ASP 74 Cb 0.49 -0.01 -0.08 0.00 -0.56 0.00 0.00 39.33 39.18 1nxh h ASP 74 CO 0.11 0.05 0.16 0.18 -1.57 0.00 0.00 179.24 178.17 1nxh n LEU 75 N -4.37 4.24 -4.44 1.55 4.77 0.77 -4.90 117.00 114.62 1nxh n LEU 75 Ca 0.20 -2.19 -0.40 0.00 -0.03 0.00 0.00 56.01 53.59 1nxh n LEU 75 Cb 0.91 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1nxh n LEU 75 CO 0.35 0.61 -0.18 0.00 -1.33 0.00 0.00 177.39 176.84 1nxh n GLN 76 N 0.01 -1.26 0.17 3.23 1.13 0.31 -4.80 117.38 116.17 1nxh n GLN 76 Ca 0.23 0.18 0.12 0.00 -1.94 0.00 0.00 57.00 55.60 1nxh n GLN 76 Cb 0.94 -4.62 0.25 0.00 0.11 0.00 0.00 30.24 26.91 1nxh n GLN 76 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1nxh h LEU 77 N -1.14 0.00 -0.97 1.08 3.38 -1.29 -1.37 115.31 115.00 1nxh h LEU 77 Ca -0.61 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.40 1nxh h LEU 77 Cb 1.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 1nxh h LEU 77 CO 0.84 0.00 0.63 0.00 0.09 0.00 0.00 178.44 180.00 1nxh h TRP 79 N 1.19 0.00 -0.55 0.00 4.06 -1.92 -1.39 115.95 117.34 1nxh h TRP 79 Ca 0.40 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.51 1nxh h TRP 79 Cb 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1nxh h TRP 79 CO -0.01 0.17 0.50 -0.07 -3.56 0.00 0.00 178.44 175.47 1nxh h LEU 80 N -1.00 0.00 0.00 -4.49 4.07 -1.28 -3.12 115.31 109.50 1nxh h LEU 80 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1nxh h LEU 80 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1nxh h LEU 80 CO -0.01 0.00 0.00 0.52 -1.08 0.00 0.00 178.44 177.87 1nxh n VAL 81 N -3.93 0.00 -0.36 1.22 0.31 -0.36 -0.40 118.33 114.81 1nxh n VAL 81 Ca 0.11 0.02 0.26 0.00 -0.01 0.00 0.00 64.34 64.72 1nxh n VAL 81 Cb 0.72 -0.76 0.51 0.00 -0.91 0.00 0.00 33.84 33.40 1nxh n VAL 81 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1nxh h ASP 82 N 0.00 0.46 0.08 4.52 3.45 -1.43 -1.57 116.42 121.92 1nxh h ASP 82 Ca 0.00 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1nxh h ASP 82 Cb 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1nxh h ASP 82 CO 0.00 -0.08 -0.62 0.52 -1.57 0.00 0.00 179.24 177.49 1nxh n VAL 83 N -4.87 0.00 0.00 -1.35 0.31 -0.54 -5.02 118.33 106.86 1nxh n VAL 83 Ca 0.31 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1nxh n VAL 83 Cb 1.04 0.95 0.00 0.00 -0.91 0.00 0.00 33.84 34.92 1nxh n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nxh n GLU 85 N -0.74 0.00 0.24 5.55 1.02 -0.59 -5.05 120.64 121.08 1nxh n GLU 85 Ca 0.08 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1nxh n GLU 85 Cb 0.39 0.00 0.60 0.00 -0.02 0.00 0.00 31.44 32.41 1nxh n GLU 85 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1nxh h ILE 86 N 0.00 0.52 -3.38 -3.67 2.04 -0.99 -3.42 117.51 108.60 1nxh h ILE 86 Ca 0.00 -0.84 -0.57 0.00 1.00 0.00 0.00 64.86 64.45 1nxh h ILE 86 Cb 0.00 1.57 -0.33 0.00 -0.74 0.00 0.00 36.82 37.32 1nxh h ILE 86 CO 0.00 0.17 -0.84 -0.63 0.00 0.00 0.00 178.15 176.85 1nxh s ILE 87 N -3.87 1.45 0.61 -0.67 1.01 -0.70 -4.98 121.20 114.04 1nxh s ILE 87 Ca -0.01 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 1nxh s ILE 87 Cb 0.11 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1nxh s ILE 87 CO 0.61 0.43 1.32 -0.94 0.00 0.00 0.00 174.94 176.35 1nxh s SER 88 N 0.59 4.86 0.20 3.58 1.04 -1.26 -4.60 113.70 118.10 1nxh s SER 88 Ca -0.15 2.68 -0.11 0.00 0.48 0.00 0.00 55.95 58.85 1nxh s SER 88 Cb -0.16 -2.63 0.14 0.00 0.10 0.00 0.00 66.02 63.47 1nxh s SER 88 CO 0.05 -1.84 1.85 0.58 0.98 0.00 0.00 173.24 174.86 1nxh h VAL 89 N 0.89 1.20 -0.14 5.02 2.07 -1.98 0.14 116.25 123.45 1nxh h VAL 89 Ca -0.51 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1nxh h VAL 89 Cb 1.32 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1nxh h VAL 89 CO 0.55 0.21 -0.19 0.44 0.02 0.00 0.00 177.57 178.59 1nxh h ASP 90 N 0.98 -0.60 0.13 0.57 3.45 -2.00 0.27 116.42 119.23 1nxh h ASP 90 Ca 0.26 0.11 0.02 0.00 0.43 0.00 0.00 57.03 57.84 1nxh h ASP 90 Cb -0.05 0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 1nxh h ASP 90 CO -0.05 -0.24 -0.30 0.44 -1.57 0.00 0.00 179.24 177.52 1nxh h ASP 91 N -0.24 -0.86 -0.32 6.45 3.45 -1.78 -1.84 116.42 121.29 1nxh h ASP 91 Ca 0.10 0.10 0.07 0.00 0.43 0.00 0.00 57.03 57.73 1nxh h ASP 91 Cb 0.39 0.32 -0.08 0.00 -0.56 0.00 0.00 39.33 39.40 1nxh h ASP 91 CO -0.28 -0.39 -0.29 0.00 -1.57 0.00 0.00 179.24 176.70 1nxh h ALA 92 N 0.15 -0.17 -0.11 3.45 0.00 -0.09 -0.13 119.26 122.35 1nxh h ALA 92 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nxh h ALA 92 Cb 0.55 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1nxh h ALA 92 CO -0.17 -0.71 0.04 1.49 0.00 0.00 0.00 179.25 179.91 1nxh h GLU 93 N -0.26 0.10 -0.22 0.00 4.57 -0.37 -0.70 114.58 117.71 1nxh h GLU 93 Ca 0.15 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.39 1nxh h GLU 93 Cb 0.51 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 1nxh h GLU 93 CO -0.47 0.07 -0.30 0.00 -1.18 0.00 0.00 179.01 177.13 1nxh h ALA 94 N 1.06 -0.27 -0.65 2.92 0.00 -0.78 0.10 119.26 121.64 1nxh h ALA 94 Ca 0.05 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1nxh h ALA 94 Cb 0.02 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1nxh h ALA 94 CO -0.04 -0.75 0.31 1.25 0.00 0.00 0.00 179.25 180.02 1nxh h LEU 95 N -0.32 0.38 -1.17 0.00 5.85 -0.67 -0.40 115.31 118.97 1nxh h LEU 95 Ca 0.12 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1nxh h LEU 95 Cb 0.52 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1nxh h LEU 95 CO -0.40 0.23 -0.09 0.11 -0.34 0.00 0.00 178.44 177.95 1nxh h LYS 96 N 0.54 0.47 0.75 1.25 1.57 -0.28 -2.26 116.57 118.61 1nxh h LYS 96 Ca 0.32 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1nxh h LYS 96 Cb 0.34 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.60 1nxh h LYS 96 CO -0.26 0.57 -0.36 -0.44 -0.57 0.00 0.00 179.45 178.38 1nxh h ASP 97 N 0.44 -0.86 -0.91 0.86 3.32 0.84 -1.02 116.42 119.10 1nxh h ASP 97 Ca 0.09 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.27 1nxh h ASP 97 Cb 0.43 0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.13 1nxh h ASP 97 CO 0.02 -0.61 0.55 1.05 -1.72 0.00 0.00 179.24 178.53 1nxh h GLU 98 N -1.02 0.88 -0.27 3.56 4.11 -1.34 0.69 114.58 121.19 1nxh h GLU 98 Ca -0.10 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.22 1nxh h GLU 98 Cb 0.77 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nxh h GLU 98 CO 0.17 0.59 -0.03 0.82 0.07 0.00 0.00 179.01 180.62 1nxh h ILE 99 N 0.91 1.27 -0.76 -1.06 1.08 -1.41 -1.99 117.51 115.55 1nxh h ILE 99 Ca 0.43 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1nxh h ILE 99 Cb 0.37 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 1nxh h ILE 99 CO -0.24 0.32 0.50 0.74 -0.69 0.00 0.00 178.15 178.77 1nxh h THR 100 N 0.26 1.20 -0.65 -0.27 2.02 -0.47 -1.01 112.91 113.99 1nxh h THR 100 Ca 0.07 -0.38 0.13 0.00 0.77 0.00 0.00 66.41 67.00 1nxh h THR 100 Cb 0.48 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 66.88 1nxh h THR 100 CO 0.02 0.20 0.13 -0.08 0.37 0.00 0.00 175.52 176.16 1nxh h GLU 101 N 1.04 0.25 0.62 6.66 4.81 0.68 0.72 114.58 129.35 1nxh h GLU 101 Ca 0.28 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1nxh h GLU 101 Cb -0.11 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.22 1nxh h GLU 101 CO -0.06 0.16 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.01 1nxh h LEU 102 N 0.25 -0.74 -1.58 1.64 3.38 -0.47 -2.41 115.31 115.38 1nxh h LEU 102 Ca 0.35 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.52 1nxh h LEU 102 Cb 0.55 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1nxh h LEU 102 CO -0.45 -0.52 0.55 1.62 0.09 0.00 0.00 178.44 179.73 1nxh h VAL 103 N -0.85 0.73 0.00 1.22 3.04 -0.95 0.74 116.25 120.18 1nxh h VAL 103 Ca -0.09 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 1nxh h VAL 103 Cb 0.65 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1nxh h VAL 103 CO 0.13 0.07 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.67 1nxh h LEU 104 N 0.38 0.00 -3.18 3.16 4.07 -0.73 -2.24 115.31 116.77 1nxh h LEU 104 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1nxh h LEU 104 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1nxh h LEU 104 CO -0.14 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 177.25 1nxh n ALA 105 N -2.11 3.55 0.00 1.53 0.00 0.25 -4.89 120.51 118.84 1nxh n ALA 105 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1nxh n ALA 105 Cb 0.30 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1nxh n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nxh n GLY 106 N 0.72 2.71 3.64 0.00 0.00 -0.84 -5.05 105.19 106.37 1nxh n GLY 106 Ca 0.25 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.81 1nxh n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nxh n ARG 107 N -1.40 1.76 -2.07 1.61 0.00 -1.00 -4.87 116.66 110.69 1nxh n ARG 107 Ca 0.00 0.63 -0.42 0.00 -0.00 0.00 0.00 57.85 58.05 1nxh n ARG 107 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 32.46 30.19 1nxh n ARG 107 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1nxh s GLU 108 N -0.33 4.20 0.14 -0.14 2.56 -1.26 -4.31 118.70 119.56 1nxh s GLU 108 Ca 0.70 2.12 -0.27 0.00 0.00 0.00 0.00 54.97 57.51 1nxh s GLU 108 Cb -0.72 -3.88 -0.06 0.00 2.00 0.00 0.00 34.13 31.47 1nxh s GLU 108 CO 0.50 -0.79 1.43 0.98 -0.56 0.00 0.00 175.26 176.82 1nxh n TYR 109 N 6.75 -0.39 -0.10 5.30 9.36 -1.26 0.82 117.16 137.64 1nxh n TYR 109 Ca 0.16 1.11 -0.03 0.00 3.32 0.00 0.00 57.90 62.46 1nxh n TYR 109 Cb 0.43 -0.57 -0.02 0.00 -0.63 0.00 0.00 39.34 38.55 1nxh n TYR 109 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1nxh n SER 110 N -5.03 -0.26 -0.20 2.98 7.64 -1.26 0.85 113.62 118.35 1nxh n SER 110 Ca 0.02 1.09 -0.01 0.00 1.01 0.00 0.00 58.87 60.98 1nxh n SER 110 Cb 0.23 -0.39 0.09 0.00 -1.01 0.00 0.00 64.21 63.13 1nxh n SER 110 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1nxh h GLU 111 N 0.00 0.46 -0.97 1.43 5.08 -1.18 -2.36 114.58 117.04 1nxh h GLU 111 Ca 0.04 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1nxh h GLU 111 Cb 0.10 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1nxh h GLU 111 CO -0.23 0.31 0.64 0.00 -1.00 0.00 0.00 179.01 178.73 1nxh h ALA 112 N 1.37 1.28 -0.91 3.43 0.00 0.41 -2.23 119.26 122.62 1nxh h ALA 112 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1nxh h ALA 112 Cb 0.29 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1nxh h ALA 112 CO -0.25 0.54 0.50 1.25 0.00 0.00 0.00 179.25 181.30 1nxh h LEU 113 N 1.25 1.13 -0.42 0.00 6.46 0.99 -1.72 115.31 123.00 1nxh h LEU 113 Ca 0.38 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 58.09 1nxh h LEU 113 Cb -0.03 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 39.58 1nxh h LEU 113 CO -0.12 0.90 0.19 0.28 -0.62 0.00 0.00 178.44 179.07 1nxh h SER 114 N 1.27 0.26 -0.42 1.25 0.02 -1.15 0.18 113.55 114.95 1nxh h SER 114 Ca 0.32 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1nxh h SER 114 Cb 0.02 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1nxh h SER 114 CO -0.05 0.19 0.18 -0.08 -1.14 0.00 0.00 176.83 175.93 1nxh h GLU 115 N 0.39 0.68 -0.15 3.45 4.22 -1.25 -0.85 114.58 121.07 1nxh h GLU 115 Ca 0.18 -0.10 -0.12 0.00 0.08 0.00 0.00 59.36 59.40 1nxh h GLU 115 Cb 0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1nxh h GLU 115 CO -0.15 0.57 -0.43 0.78 -2.18 0.00 0.00 179.01 177.60 1nxh h GLY 116 N 0.83 0.40 0.92 1.92 0.00 -0.28 -1.01 103.07 105.86 1nxh h GLY 116 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1nxh h GLY 116 CO -0.01 0.36 0.09 -0.09 0.00 0.00 0.00 176.54 176.89 1nxh h ARG 117 N 0.30 0.26 0.41 4.80 9.65 0.19 -0.68 114.38 129.32 1nxh h ARG 117 Ca 0.02 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1nxh h ARG 117 Cb 0.89 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 1nxh h ARG 117 CO 0.07 0.28 -0.42 0.00 2.80 0.00 0.00 179.97 182.71 1nxh h ARG 118 N 0.17 -0.80 -0.08 0.20 3.08 -0.73 -0.47 114.38 115.76 1nxh h ARG 118 Ca 0.06 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1nxh h ARG 118 Cb 0.10 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1nxh h ARG 118 CO -0.01 -0.53 0.10 -0.09 -1.07 0.00 0.00 179.97 178.37 1nxh h ARG 119 N -0.83 0.00 0.63 0.04 2.43 -1.17 -1.39 114.38 114.10 1nxh h ARG 119 Ca -0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1nxh h ARG 119 Cb 0.72 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1nxh h ARG 119 CO -0.05 0.00 -0.30 1.25 -1.51 0.00 0.00 179.97 179.35 1nxh h LEU 120 N 0.00 -0.72 -0.91 3.80 5.85 -0.38 -2.01 115.31 120.93 1nxh h LEU 120 Ca 0.04 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.04 1nxh h LEU 120 Cb 0.24 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.31 1nxh h LEU 120 CO -0.00 -0.35 0.26 0.45 -0.34 0.00 0.00 178.44 178.46 1nxh h HIS 121 N -1.18 0.39 0.06 1.25 3.86 -0.43 0.37 115.15 119.47 1nxh h HIS 121 Ca -0.09 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1nxh h HIS 121 Cb 0.65 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 1nxh h HIS 121 CO 0.01 -0.25 -0.42 1.49 0.86 0.00 0.00 177.93 179.62 1nxh h GLU 122 N 0.18 -0.55 -0.40 2.45 4.81 -1.15 0.52 114.58 120.45 1nxh h GLU 122 Ca 0.59 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.94 1nxh h GLU 122 Cb 1.25 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.66 1nxh h GLU 122 CO -0.69 -0.37 -0.21 0.82 -0.73 0.00 0.00 179.01 177.83 1nxh h ILE 123 N -0.57 0.39 -0.77 2.32 2.04 0.37 -0.64 117.51 120.65 1nxh h ILE 123 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1nxh h ILE 123 Cb 0.58 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 1nxh h ILE 123 CO -0.24 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.17 1nxh h LEU 124 N -0.14 0.35 -5.24 1.44 3.38 -0.36 -2.19 115.31 112.55 1nxh h LEU 124 Ca 0.19 0.10 -0.66 0.00 0.09 0.00 0.00 57.88 57.61 1nxh h LEU 124 Cb 0.44 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 1nxh h LEU 124 CO -0.48 0.14 2.17 0.54 0.09 0.00 0.00 178.44 180.90 1nxh n ARG 125 N -4.96 3.92 0.00 1.13 1.74 0.13 -5.10 116.66 113.52 1nxh n ARG 125 Ca 0.15 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 1nxh n ARG 125 Cb 0.41 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 1nxh n ARG 125 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54