#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dti n VAL 1 N 0.00 0.00 -3.49 3.17 0.31 -1.26 -5.10 118.33 111.95 1dti n VAL 1 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1dti n VAL 1 Cb 0.00 -0.22 -0.05 0.00 -0.91 0.00 0.00 33.84 32.66 1dti n VAL 1 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1dti s LEU 2 N -6.03 4.27 0.78 7.52 1.02 -1.26 -5.09 118.68 119.88 1dti s LEU 2 Ca 0.00 0.85 -0.12 0.00 0.02 0.00 0.00 54.13 54.89 1dti s LEU 2 Cb 0.00 -3.35 0.06 0.00 0.02 0.00 0.00 46.19 42.92 1dti s LEU 2 CO 0.00 0.05 1.11 -0.94 0.02 0.00 0.00 176.35 176.59 1dti s SER 3 N -2.09 4.73 0.23 2.29 1.04 -1.26 -4.86 113.70 113.78 1dti s SER 3 Ca 0.40 1.19 -0.06 0.00 0.48 0.00 0.00 55.95 57.96 1dti s SER 3 Cb -0.13 -1.91 0.33 0.00 0.10 0.00 0.00 66.02 64.41 1dti s SER 3 CO 0.21 -1.81 1.80 -0.08 0.98 0.00 0.00 173.24 174.34 1dti h GLU 4 N -0.98 0.70 -0.36 4.02 4.57 -1.99 -1.33 114.58 119.21 1dti h GLU 4 Ca -0.47 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 1dti h GLU 4 Cb 1.27 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1dti h GLU 4 CO 0.61 0.46 0.08 0.78 -1.18 0.00 0.00 179.01 179.77 1dti h GLY 5 N 0.72 0.56 0.89 1.92 0.00 -1.99 -1.09 103.07 104.07 1dti h GLY 5 Ca 0.36 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1dti h GLY 5 CO -0.23 0.27 -0.36 0.83 0.00 0.00 0.00 176.54 177.05 1dti h GLU 6 N 0.51 0.56 -0.58 4.80 5.08 -1.68 -2.56 114.58 120.71 1dti h GLU 6 Ca 0.12 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1dti h GLU 6 Cb 0.20 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1dti h GLU 6 CO -0.00 0.97 0.39 -1.49 -1.00 0.00 0.00 179.01 177.88 1dti h TRP 7 N 0.22 0.74 0.00 4.33 4.06 -0.88 -1.57 115.95 122.84 1dti h TRP 7 Ca 0.01 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 1dti h TRP 7 Cb 0.95 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 1dti h TRP 7 CO 0.09 0.46 -0.53 1.96 -3.56 0.00 0.00 178.44 176.86 1dti h GLN 8 N 0.79 0.00 -0.49 0.49 4.20 -0.94 -1.54 115.11 117.62 1dti h GLN 8 Ca 0.21 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 1dti h GLN 8 Cb -0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1dti h GLN 8 CO -0.05 0.53 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.43 1dti h LEU 9 N 0.00 0.96 -0.44 1.46 3.38 -1.03 -1.03 115.31 118.61 1dti h LEU 9 Ca -0.01 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1dti h LEU 9 Cb 1.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1dti h LEU 9 CO 0.07 1.10 0.10 0.58 0.09 0.00 0.00 178.44 180.38 1dti h VAL 10 N 0.84 1.24 0.00 1.22 2.07 -0.84 -2.69 116.25 118.09 1dti h VAL 10 Ca 0.12 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 1dti h VAL 10 Cb 0.70 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1dti h VAL 10 CO 0.05 0.29 -0.48 -0.07 0.02 0.00 0.00 177.57 177.38 1dti h LEU 11 N 0.58 0.00 -0.25 2.57 3.38 -1.17 -1.15 115.31 119.28 1dti h LEU 11 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1dti h LEU 11 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1dti h LEU 11 CO 0.00 0.48 0.04 -0.74 0.09 0.00 0.00 178.44 178.31 1dti h HIS 12 N 0.00 0.44 0.01 1.13 2.76 -1.12 -1.89 115.15 116.48 1dti h HIS 12 Ca -0.00 -0.06 -0.19 0.00 -2.20 0.00 0.00 60.37 57.91 1dti h HIS 12 Cb 1.07 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.89 1dti h HIS 12 CO 0.00 0.54 -0.87 -0.24 -1.30 0.00 0.00 177.93 176.05 1dti h VAL 13 N 0.22 1.55 -0.20 5.26 3.04 -1.35 -3.03 116.25 121.74 1dti h VAL 13 Ca 0.08 -2.78 0.02 0.00 -1.01 0.00 0.00 66.70 63.00 1dti h VAL 13 Cb 0.34 2.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 1dti h VAL 13 CO 0.01 0.80 0.13 -0.25 -1.01 0.00 0.00 177.57 177.25 1dti h TRP 14 N 0.05 0.20 -0.37 3.17 2.91 -1.14 -0.51 115.95 120.26 1dti h TRP 14 Ca -0.03 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.02 1dti h TRP 14 Cb 1.52 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 30.08 1dti h TRP 14 CO 0.02 0.12 0.25 0.00 -1.03 0.00 0.00 178.44 177.79 1dti h ALA 15 N 1.88 1.82 -0.20 2.65 0.00 -1.21 -0.77 119.26 123.43 1dti h ALA 15 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1dti h ALA 15 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dti h ALA 15 CO -0.02 0.14 -0.43 0.87 0.00 0.00 0.00 179.25 179.81 1dti h LYS 16 N 0.42 0.49 -0.81 0.00 6.56 -1.16 -2.83 116.57 119.25 1dti h LYS 16 Ca 0.15 -0.26 0.01 0.00 -1.06 0.00 0.00 60.65 59.49 1dti h LYS 16 Cb 0.07 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.69 1dti h LYS 16 CO -0.03 0.83 0.53 0.28 -2.06 0.00 0.00 179.45 179.00 1dti h VAL 17 N 0.40 1.19 0.00 0.50 2.07 -0.93 -2.55 116.25 116.93 1dti h VAL 17 Ca 0.03 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1dti h VAL 17 Cb 0.92 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1dti h VAL 17 CO 0.08 0.20 -0.00 -0.33 0.02 0.00 0.00 177.57 177.53 1dti h GLU 18 N 1.07 0.00 0.00 1.57 5.08 -1.12 -1.15 114.58 120.03 1dti h GLU 18 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1dti h GLU 18 Cb -0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1dti h GLU 18 CO -0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 177.93 1dti h ALA 19 N 2.00 1.01 -0.02 3.43 0.00 -1.33 -3.36 119.26 120.99 1dti h ALA 19 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1dti h ALA 19 Cb 0.21 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 1dti h ALA 19 CO 0.00 0.01 -0.46 -3.47 0.00 0.00 0.00 179.25 175.32 1dti n ASP 20 N -3.10 -2.82 -0.33 0.00 4.64 -0.45 -5.01 116.55 109.47 1dti n ASP 20 Ca -0.01 -3.21 -0.04 0.00 -1.38 0.00 0.00 54.79 50.15 1dti n ASP 20 Cb 0.22 1.77 0.08 0.00 -1.04 0.00 0.00 41.12 42.16 1dti n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1dti h VAL 21 N 2.93 1.26 -0.44 5.18 2.07 -1.67 -2.34 116.25 123.25 1dti h VAL 21 Ca -0.15 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1dti h VAL 21 Cb 1.04 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1dti h VAL 21 CO 0.29 0.30 0.17 0.00 0.02 0.00 0.00 177.57 178.35 1dti h ALA 22 N 1.26 0.57 -0.36 1.67 0.00 -1.91 0.37 119.26 120.86 1dti h ALA 22 Ca 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1dti h ALA 22 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dti h ALA 22 CO -0.05 0.18 0.14 0.78 0.00 0.00 0.00 179.25 180.31 1dti h GLY 23 N 0.57 0.59 0.98 0.00 0.00 -1.91 -1.45 103.07 101.84 1dti h GLY 23 Ca 0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1dti h GLY 23 CO -0.01 0.30 0.14 0.45 0.00 0.00 0.00 176.54 177.42 1dti h HIS 24 N 0.44 0.85 -0.37 5.60 3.86 -1.32 -1.96 115.15 122.25 1dti h HIS 24 Ca 0.12 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1dti h HIS 24 Cb 0.19 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1dti h HIS 24 CO -0.00 0.74 0.18 0.78 0.86 0.00 0.00 177.93 180.49 1dti h GLY 25 N 0.71 0.50 0.49 2.45 0.00 -0.80 -0.13 103.07 106.29 1dti h GLY 25 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.42 1dti h GLY 25 CO -0.00 0.09 -0.01 1.46 0.00 0.00 0.00 176.54 178.08 1dti h GLN 26 N 0.38 0.07 -0.80 4.80 4.20 -1.17 -1.58 115.11 121.01 1dti h GLN 26 Ca 0.16 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1dti h GLN 26 Cb 0.07 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1dti h GLN 26 CO -0.11 0.05 0.48 -0.44 -0.67 0.00 0.00 178.83 178.13 1dti h ASP 27 N 0.07 0.95 -0.06 1.46 5.19 -1.00 -1.15 116.42 121.89 1dti h ASP 27 Ca 0.15 -0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.35 1dti h ASP 27 Cb 0.20 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 39.48 1dti h ASP 27 CO -0.26 0.73 -0.56 0.40 -3.12 0.00 0.00 179.24 176.43 1dti h ILE 28 N 1.10 1.39 -0.49 0.35 2.04 -0.70 -1.53 117.51 119.66 1dti h ILE 28 Ca 0.29 -1.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.13 1dti h ILE 28 Cb -0.05 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1dti h ILE 28 CO -0.05 0.57 -0.01 -0.07 0.00 0.00 0.00 178.15 178.59 1dti h LEU 29 N 0.04 0.85 -0.68 1.44 3.38 -1.20 -1.43 115.31 117.71 1dti h LEU 29 Ca -0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1dti h LEU 29 Cb 1.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1dti h LEU 29 CO 0.11 0.96 0.37 0.40 0.09 0.00 0.00 178.44 180.37 1dti h ILE 30 N 0.72 1.21 -0.54 1.22 2.04 -1.20 -1.46 117.51 119.51 1dti h ILE 30 Ca 0.14 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1dti h ILE 30 Cb 0.52 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1dti h ILE 30 CO 0.03 0.24 0.35 -0.09 0.00 0.00 0.00 178.15 178.67 1dti h ARG 31 N 0.94 0.71 -0.14 2.37 9.65 -1.13 -0.38 114.38 126.41 1dti h ARG 31 Ca 0.24 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.11 1dti h ARG 31 Cb 0.05 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1dti h ARG 31 CO -0.04 0.48 -0.09 1.25 2.80 0.00 0.00 179.97 184.38 1dti h LEU 32 N 0.72 -0.28 -0.72 3.80 5.85 -0.97 -1.34 115.31 122.39 1dti h LEU 32 Ca 0.20 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 1dti h LEU 32 Cb -0.07 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1dti h LEU 32 CO -0.04 -0.12 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.29 1dti h PHE 33 N -0.08 0.62 -0.39 1.25 0.04 -0.86 0.12 116.94 117.64 1dti h PHE 33 Ca 0.08 -0.17 -0.13 0.00 2.80 0.00 0.00 57.97 60.55 1dti h PHE 33 Cb 0.21 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1dti h PHE 33 CO -0.22 0.84 -0.26 0.87 -0.60 0.00 0.00 178.31 178.94 1dti h LYS 34 N 0.43 0.82 0.06 1.51 1.79 -1.00 -2.56 116.57 117.62 1dti h LYS 34 Ca 0.04 -0.36 -0.30 0.00 -2.18 0.00 0.00 60.65 57.86 1dti h LYS 34 Cb 0.88 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.48 1dti h LYS 34 CO 0.08 0.99 -1.58 0.66 -1.08 0.00 0.00 179.45 178.51 1dti h SER 35 N 0.70 0.21 -2.42 0.86 4.64 -1.03 -3.40 113.55 113.11 1dti h SER 35 Ca 0.09 -0.34 -0.59 0.00 -0.47 0.00 0.00 61.79 60.47 1dti h SER 35 Cb 0.80 -0.07 -0.39 0.00 -0.31 0.00 0.00 62.40 62.43 1dti h SER 35 CO 0.07 1.29 -0.92 1.41 -0.87 0.00 0.00 176.83 177.81 1dti n HIS 36 N -3.31 0.02 -0.02 4.77 8.25 0.41 -4.98 115.22 120.37 1dti n HIS 36 Ca -0.16 -3.54 0.21 0.00 -0.26 0.00 0.00 57.72 53.96 1dti n HIS 36 Cb 1.03 -0.01 0.69 0.00 1.12 0.00 0.00 29.99 32.82 1dti n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1dti h PRO 37 N 5.28 0.01 0.00 -0.41 0.11 -1.65 0.54 132.00 135.88 1dti h PRO 37 Ca 0.22 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1dti h PRO 37 Cb 0.87 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1dti h PRO 37 CO 0.46 0.01 -0.01 1.05 -0.21 0.00 0.00 178.00 179.29 1dti h GLU 38 N 0.01 0.00 0.00 1.05 9.09 -1.93 -1.38 114.58 121.42 1dti h GLU 38 Ca 0.27 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.62 1dti h GLU 38 Cb 1.06 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 1dti h GLU 38 CO -0.01 0.01 -0.26 1.79 0.05 0.00 0.00 179.01 180.60 1dti h THR 39 N 0.00 0.78 -0.01 -1.06 1.35 -1.23 -2.87 112.91 109.88 1dti h THR 39 Ca -0.00 -1.08 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 1dti h THR 39 Cb 0.06 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1dti h THR 39 CO 0.00 0.26 -0.17 0.25 -0.25 0.00 0.00 175.52 175.61 1dti h LEU 40 N 0.00 0.01 -2.50 3.87 5.85 -1.40 -1.57 115.31 119.57 1dti h LEU 40 Ca -0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1dti h LEU 40 Cb 0.65 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1dti h LEU 40 CO 0.03 0.18 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.96 1dti h GLU 41 N 0.01 0.00 0.00 1.25 4.39 -1.63 -0.60 114.58 118.00 1dti h GLU 41 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1dti h GLU 41 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1dti h GLU 41 CO 0.02 0.02 0.00 1.63 -1.16 0.00 0.00 179.01 179.52 1dti n LYS 42 N -3.37 0.20 -3.49 2.33 4.76 -0.59 -4.53 118.16 113.47 1dti n LYS 42 Ca -0.02 0.37 -0.42 0.00 -2.87 0.00 0.00 58.31 55.37 1dti n LYS 42 Cb 0.13 -1.85 -0.08 0.00 -1.84 0.00 0.00 35.03 31.40 1dti n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1dti s PHE 43 N -3.26 3.38 0.44 2.13 0.08 -0.23 -4.92 117.98 115.60 1dti s PHE 43 Ca 0.06 -1.73 0.12 0.00 0.12 0.00 0.00 56.93 55.49 1dti s PHE 43 Cb 0.10 -3.57 0.98 0.00 -0.57 0.00 0.00 43.02 39.96 1dti s PHE 43 CO 0.43 -1.00 2.02 0.38 -0.10 0.00 0.00 175.22 176.96 1dti h ASP 44 N 8.56 0.17 1.18 1.36 2.03 -1.83 -1.82 116.42 126.06 1dti h ASP 44 Ca -0.23 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1dti h ASP 44 Cb 1.08 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1dti h ASP 44 CO 0.90 0.23 0.00 -2.11 -1.03 0.00 0.00 179.24 177.23 1dti n ARG 45 N -4.40 0.24 0.00 4.15 1.85 -1.26 -3.81 116.66 113.44 1dti n ARG 45 Ca -0.01 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 1dti n ARG 45 Cb 0.17 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 1dti n ARG 45 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1dti n PHE 46 N -2.29 0.00 0.15 2.89 3.72 -0.84 -4.74 117.46 116.35 1dti n PHE 46 Ca 0.04 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.61 1dti n PHE 46 Cb 0.35 0.00 0.77 0.00 -0.94 0.00 0.00 39.48 39.66 1dti n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1dti h LYS 47 N 0.00 0.00 0.00 -1.08 1.57 -1.45 -0.59 116.57 115.01 1dti h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dti h LYS 47 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1dti h LYS 47 CO 0.00 0.00 0.00 -2.39 -0.57 0.00 0.00 179.45 176.49 1dti n HIS 48 N -3.98 0.00 -2.63 -1.35 1.44 -1.26 -4.81 115.22 102.63 1dti n HIS 48 Ca 0.04 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.32 1dti n HIS 48 Cb 0.40 -0.48 -0.02 0.00 0.12 0.00 0.00 29.99 30.00 1dti n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1dti s LEU 49 N -2.97 4.16 -0.05 2.39 1.02 -0.23 -4.92 118.68 118.08 1dti s LEU 49 Ca 0.13 1.49 0.13 0.00 0.02 0.00 0.00 54.13 55.90 1dti s LEU 49 Cb 0.16 -3.55 -0.20 0.00 0.02 0.00 0.00 46.19 42.63 1dti s LEU 49 CO 0.45 -0.61 0.23 0.29 0.02 0.00 0.00 176.35 176.73 1dti n LYS 50 N 5.89 0.86 -4.27 1.70 4.76 -1.26 -4.98 118.16 120.86 1dti n LYS 50 Ca 0.11 -0.09 -0.15 0.00 -2.87 0.00 0.00 58.31 55.31 1dti n LYS 50 Cb 0.47 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.23 1dti n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1dti s THR 51 N -2.77 0.66 0.28 -0.18 -4.23 -1.26 -5.05 115.64 103.09 1dti s THR 51 Ca -0.05 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1dti s THR 51 Cb 0.07 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.88 1dti s THR 51 CO 0.56 -0.31 1.92 -0.08 -0.54 0.00 0.00 174.62 176.16 1dti h GLU 52 N 2.58 1.14 -0.55 3.99 4.81 -1.99 -1.84 114.58 122.72 1dti h GLU 52 Ca -0.37 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1dti h GLU 52 Cb 1.22 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1dti h GLU 52 CO 0.62 0.75 0.26 0.00 -0.73 0.00 0.00 179.01 179.91 1dti h ALA 53 N 1.45 0.71 -0.68 2.92 0.00 -1.98 0.13 119.26 121.80 1dti h ALA 53 Ca 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1dti h ALA 53 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1dti h ALA 53 CO -0.13 0.28 0.20 1.49 0.00 0.00 0.00 179.25 181.09 1dti h GLU 54 N 0.74 1.07 -0.09 0.00 4.81 -1.91 -0.79 114.58 118.41 1dti h GLU 54 Ca 0.19 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1dti h GLU 54 Cb 0.13 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1dti h GLU 54 CO -0.02 0.93 0.04 0.52 -0.73 0.00 0.00 179.01 179.75 1dti h MET 55 N 1.00 0.12 -0.26 1.92 2.86 -0.71 -2.55 114.93 117.32 1dti h MET 55 Ca 0.22 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1dti h MET 55 Cb 0.31 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1dti h MET 55 CO -0.00 0.20 0.14 0.87 1.06 0.00 0.00 176.91 179.18 1dti h LYS 56 N 0.02 0.34 -0.00 1.72 1.57 -0.35 -2.04 116.57 117.82 1dti h LYS 56 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dti h LYS 56 Cb 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1dti h LYS 56 CO -0.00 0.25 -0.17 0.00 -0.57 0.00 0.00 179.45 178.96 1dti n ALA 57 N -2.50 2.82 -2.62 3.86 0.00 -0.34 -4.83 120.51 116.91 1dti n ALA 57 Ca 0.01 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1dti n ALA 57 Cb 0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1dti n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dti s SER 58 N -2.73 6.78 0.24 0.00 0.15 -0.77 -4.89 113.70 112.49 1dti s SER 58 Ca 0.21 0.79 -0.07 0.00 0.70 0.00 0.00 55.95 57.59 1dti s SER 58 Cb 0.19 -2.49 0.26 0.00 -1.71 0.00 0.00 66.02 62.27 1dti s SER 58 CO 0.54 -0.84 1.91 -0.08 1.20 0.00 0.00 173.24 175.96 1dti h GLU 59 N 8.28 1.19 -0.49 5.44 4.57 -1.88 -2.27 114.58 129.42 1dti h GLU 59 Ca -0.22 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 57.81 1dti h GLU 59 Cb 1.07 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 1dti h GLU 59 CO 0.99 0.79 -0.01 0.22 -1.18 0.00 0.00 179.01 179.82 1dti h ASP 60 N 1.23 0.85 -0.53 1.04 -0.00 -1.96 -0.91 116.42 116.14 1dti h ASP 60 Ca 0.35 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1dti h ASP 60 Cb -0.09 -0.23 -0.03 0.00 -0.00 0.00 0.00 39.33 38.99 1dti h ASP 60 CO -0.09 0.96 0.32 0.25 -0.00 0.00 0.00 179.24 180.67 1dti h LEU 61 N 0.72 0.63 -0.73 2.28 6.46 -1.89 -0.99 115.31 121.80 1dti h LEU 61 Ca 0.14 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1dti h LEU 61 Cb 0.52 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1dti h LEU 61 CO 0.03 0.50 0.04 0.50 -0.62 0.00 0.00 178.44 178.89 1dti h LYS 62 N 0.71 1.01 -0.58 1.25 3.64 -1.06 -0.45 116.57 121.10 1dti h LYS 62 Ca 0.19 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1dti h LYS 62 Cb -0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1dti h LYS 62 CO -0.04 0.97 0.15 0.87 -2.27 0.00 0.00 179.45 179.14 1dti h LYS 63 N 0.94 0.92 -0.70 1.90 1.57 -0.94 -2.52 116.57 117.75 1dti h LYS 63 Ca 0.18 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1dti h LYS 63 Cb 0.49 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1dti h LYS 63 CO 0.02 0.85 0.23 1.25 -0.57 0.00 0.00 179.45 181.23 1dti h HIS 64 N 0.83 1.12 -0.82 -1.35 2.76 -0.97 -1.62 115.15 115.11 1dti h HIS 64 Ca 0.18 -0.11 0.17 0.00 -2.20 0.00 0.00 60.37 58.42 1dti h HIS 64 Cb 0.33 -0.33 -0.11 0.00 1.55 0.00 0.00 27.41 28.86 1dti h HIS 64 CO 0.02 0.89 0.35 0.78 -1.30 0.00 0.00 177.93 178.67 1dti h GLY 65 N 1.03 1.32 1.01 5.26 0.00 -0.79 0.64 103.07 111.54 1dti h GLY 65 Ca 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1dti h GLY 65 CO -0.01 -0.15 -0.08 -2.08 0.00 0.00 0.00 176.54 174.21 1dti h VAL 66 N 0.45 1.27 -0.30 4.60 2.07 -1.01 -1.58 116.25 121.74 1dti h VAL 66 Ca 0.48 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1dti h VAL 66 Cb 0.79 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1dti h VAL 66 CO -0.45 0.41 0.15 0.74 0.02 0.00 0.00 177.57 178.43 1dti h THR 67 N 0.69 0.99 0.03 2.57 2.02 -0.44 -0.87 112.91 117.91 1dti h THR 67 Ca 0.12 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1dti h THR 67 Cb 0.62 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1dti h THR 67 CO 0.04 0.06 -0.05 0.58 0.37 0.00 0.00 175.52 176.52 1dti h VAL 68 N 0.31 0.88 0.00 3.16 2.07 -0.79 -2.12 116.25 119.77 1dti h VAL 68 Ca 0.13 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.53 1dti h VAL 68 Cb 0.05 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1dti h VAL 68 CO -0.09 0.00 -0.53 -0.07 0.02 0.00 0.00 177.57 176.90 1dti h LEU 69 N -0.10 0.00 -0.31 2.57 3.38 -1.15 -1.62 115.31 118.08 1dti h LEU 69 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1dti h LEU 69 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1dti h LEU 69 CO -0.03 0.53 0.14 0.74 0.09 0.00 0.00 178.44 179.92 1dti h THR 70 N 0.00 1.17 -0.33 0.22 2.02 -1.12 0.39 112.91 115.25 1dti h THR 70 Ca -0.01 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1dti h THR 70 Cb 1.12 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1dti h THR 70 CO 0.07 0.17 0.03 0.00 0.37 0.00 0.00 175.52 176.16 1dti h ALA 71 N 0.99 0.45 -0.78 6.16 0.00 -1.09 -1.85 119.26 123.14 1dti h ALA 71 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1dti h ALA 71 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1dti h ALA 71 CO -0.01 0.17 0.28 1.25 0.00 0.00 0.00 179.25 180.94 1dti h LEU 72 N 0.39 1.10 -0.69 0.00 5.85 -1.21 -2.56 115.31 118.18 1dti h LEU 72 Ca 0.10 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1dti h LEU 72 Cb 0.40 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1dti h LEU 72 CO 0.01 1.00 0.16 1.23 -0.34 0.00 0.00 178.44 180.50 1dti h GLY 73 N 1.15 1.20 1.38 3.75 0.00 -0.81 0.47 103.07 110.22 1dti h GLY 73 Ca 0.26 -0.76 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1dti h GLY 73 CO -0.01 0.71 0.40 0.00 0.00 0.00 0.00 176.54 177.63 1dti h ALA 74 N 1.08 1.60 -0.07 3.60 0.00 -1.14 -0.97 119.26 123.36 1dti h ALA 74 Ca 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1dti h ALA 74 Cb 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dti h ALA 74 CO 0.00 0.36 -0.17 0.82 0.00 0.00 0.00 179.25 180.27 1dti h ILE 75 N 0.79 1.42 -0.70 0.00 2.04 -0.95 -3.21 117.51 116.89 1dti h ILE 75 Ca 0.23 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.59 1dti h ILE 75 Cb -0.05 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1dti h ILE 75 CO -0.05 0.42 0.47 -0.07 0.00 0.00 0.00 178.15 178.92 1dti h LEU 76 N -0.25 0.80 -0.95 1.44 3.38 -0.54 -1.42 115.31 117.77 1dti h LEU 76 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1dti h LEU 76 Cb 0.77 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1dti h LEU 76 CO 0.04 0.58 0.00 0.11 0.09 0.00 0.00 178.44 179.25 1dti h LYS 77 N 0.95 0.00 0.00 1.13 1.57 -1.19 -1.72 116.57 117.30 1dti h LYS 77 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1dti h LYS 77 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1dti h LYS 77 CO -0.06 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.45 1dti n LYS 78 N -2.30 0.09 -3.86 3.15 4.76 -0.54 -4.94 118.16 114.52 1dti n LYS 78 Ca 0.01 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.20 1dti n LYS 78 Cb 0.18 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.89 1dti n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1dti n LYS 79 N -1.46 -4.58 0.00 1.97 5.02 -0.65 -2.09 118.16 116.38 1dti n LYS 79 Ca 0.08 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1dti n LYS 79 Cb 0.31 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 1dti n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dti n GLY 80 N -1.69 3.37 2.73 0.72 0.00 -1.26 -4.94 105.19 104.11 1dti n GLY 80 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1dti n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dti n HIS 81 N -1.73 2.62 -0.65 1.61 8.25 -0.89 -4.71 115.22 119.72 1dti n HIS 81 Ca 0.00 -2.68 0.05 0.00 -0.26 0.00 0.00 57.72 54.83 1dti n HIS 81 Cb 0.00 -1.54 0.06 0.00 1.12 0.00 0.00 29.99 29.63 1dti n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1dti n HIS 82 N 1.57 0.00 -0.20 4.41 1.44 -1.26 -4.80 115.22 116.38 1dti n HIS 82 Ca 0.45 -0.68 -0.04 0.00 -2.01 0.00 0.00 57.72 55.43 1dti n HIS 82 Cb 0.29 -0.09 0.02 0.00 0.12 0.00 0.00 29.99 30.33 1dti n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1dti h GLU 83 N 0.00 -0.13 -0.74 -1.40 9.09 -1.99 0.12 114.58 119.52 1dti h GLU 83 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1dti h GLU 83 Cb 0.80 0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.90 1dti h GLU 83 CO 0.00 -0.09 0.37 0.00 0.05 0.00 0.00 179.01 179.34 1dti h ALA 84 N 1.11 0.96 0.00 1.06 0.00 -2.01 -2.42 119.26 117.96 1dti h ALA 84 Ca 0.25 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1dti h ALA 84 Cb 0.54 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1dti h ALA 84 CO -0.67 0.51 -0.82 0.93 0.00 0.00 0.00 179.25 179.20 1dti h GLU 85 N 1.04 0.06 0.10 0.00 3.07 -1.78 -3.32 114.58 113.74 1dti h GLU 85 Ca 0.26 -0.07 -0.27 0.00 -0.50 0.00 0.00 59.36 58.78 1dti h GLU 85 Cb 0.10 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1dti h GLU 85 CO -0.03 0.85 -1.16 1.25 -1.40 0.00 0.00 179.01 178.51 1dti h LEU 86 N 0.03 0.55 -0.14 1.33 5.85 -0.62 -3.36 115.31 118.96 1dti h LEU 86 Ca -0.02 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.21 1dti h LEU 86 Cb 1.44 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 1dti h LEU 86 CO 0.11 1.37 -0.08 0.50 -0.34 0.00 0.00 178.44 180.00 1dti h LYS 87 N 0.16 -0.07 -0.05 1.25 3.11 -1.54 -1.14 116.57 118.29 1dti h LYS 87 Ca -0.13 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.68 1dti h LYS 87 Cb 1.85 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 33.09 1dti h LYS 87 CO 0.20 -0.05 -0.13 -1.35 -2.81 0.00 0.00 179.45 175.31 1dti h PRO 88 N -0.07 0.07 -0.42 1.90 0.11 -1.75 -2.01 132.00 129.83 1dti h PRO 88 Ca 0.08 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1dti h PRO 88 Cb 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1dti h PRO 88 CO -0.19 0.21 0.05 1.25 -0.21 0.00 0.00 178.00 179.11 1dti h LEU 89 N 0.07 0.69 -0.71 2.35 6.46 -1.53 -1.39 115.31 121.25 1dti h LEU 89 Ca 0.01 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1dti h LEU 89 Cb 0.28 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1dti h LEU 89 CO 0.02 0.80 0.41 0.00 -0.62 0.00 0.00 178.44 179.04 1dti h ALA 90 N 0.92 0.91 -0.32 1.25 0.00 -0.94 -1.81 119.26 119.27 1dti h ALA 90 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1dti h ALA 90 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1dti h ALA 90 CO 0.01 0.40 0.12 0.37 0.00 0.00 0.00 179.25 180.15 1dti h GLN 91 N 0.97 0.48 0.00 0.00 4.15 -1.17 -1.16 115.11 118.39 1dti h GLN 91 Ca 0.25 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1dti h GLN 91 Cb 0.00 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1dti h GLN 91 CO -0.04 0.50 -0.04 0.66 -1.93 0.00 0.00 178.83 177.97 1dti h SER 92 N 0.37 0.00 -0.20 -0.69 4.64 -1.11 -1.52 113.55 115.04 1dti h SER 92 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1dti h SER 92 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1dti h SER 92 CO -0.01 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 1dti n HIS 93 N -3.17 0.23 0.00 4.77 8.25 -0.69 -2.95 115.22 121.66 1dti n HIS 93 Ca -0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1dti n HIS 93 Cb 0.28 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1dti n HIS 93 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dti n ALA 94 N 1.41 1.88 0.03 -1.41 0.00 -0.48 -0.58 120.51 121.37 1dti n ALA 94 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1dti n ALA 94 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1dti n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dti n THR 95 N -1.40 0.59 0.08 0.00 -2.24 -0.59 -4.76 114.28 105.97 1dti n THR 95 Ca 0.00 0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1dti n THR 95 Cb 0.00 -1.42 -0.07 0.00 -2.10 0.00 0.00 70.33 66.74 1dti n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1dti h LYS 96 N 0.00 -0.51 -6.62 -0.78 6.56 -1.66 -3.42 116.57 110.14 1dti h LYS 96 Ca 0.00 0.03 -0.66 0.00 -1.06 0.00 0.00 60.65 58.97 1dti h LYS 96 Cb 0.39 0.12 -0.18 0.00 -0.57 0.00 0.00 32.23 31.99 1dti h LYS 96 CO 0.00 -0.34 -0.82 -0.51 -2.06 0.00 0.00 179.45 175.72 1dti s ASP 97 N -3.95 3.48 -0.53 0.86 1.11 -1.15 -5.07 116.67 111.42 1dti s ASP 97 Ca -0.11 -0.85 -0.02 0.00 0.18 0.00 0.00 52.55 51.76 1dti s ASP 97 Cb 0.04 -0.28 0.14 0.00 1.07 0.00 0.00 42.92 43.89 1dti s ASP 97 CO 0.42 0.12 0.32 -0.75 1.18 0.00 0.00 175.17 176.46 1dti s LYS 98 N -2.66 2.25 -0.34 8.23 2.36 -1.25 -1.83 119.74 126.50 1dti s LYS 98 Ca 0.21 -2.28 -0.09 0.00 -2.55 0.00 0.00 55.97 51.25 1dti s LYS 98 Cb -0.08 -3.60 0.02 0.00 -1.05 0.00 0.00 37.83 33.12 1dti s LYS 98 CO 0.10 -1.12 0.16 0.42 1.55 0.00 0.00 175.35 176.46 1dti s ILE 99 N 0.34 4.41 0.71 5.43 -1.09 0.26 -5.01 121.20 126.24 1dti s ILE 99 Ca 0.14 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 57.68 1dti s ILE 99 Cb -0.22 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1dti s ILE 99 CO -0.03 -0.09 1.19 -2.84 -1.23 0.00 0.00 174.94 171.93 1dti s PRO 100 N 1.55 2.33 0.41 2.79 0.02 -1.26 -4.89 135.00 135.95 1dti s PRO 100 Ca 0.02 1.69 0.08 0.00 0.02 0.00 0.00 61.00 62.82 1dti s PRO 100 Cb -0.18 -1.86 0.88 0.00 0.02 0.00 0.00 34.50 33.36 1dti s PRO 100 CO 0.05 -1.67 2.03 0.82 -0.33 0.00 0.00 177.00 177.90 1dti h ILE 101 N -0.14 1.05 -0.77 2.83 1.08 -1.93 -0.50 117.51 119.13 1dti h ILE 101 Ca -0.48 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 63.94 1dti h ILE 101 Cb 1.29 0.45 -0.09 0.00 -3.07 0.00 0.00 36.82 35.40 1dti h ILE 101 CO 0.51 0.10 0.35 0.50 -0.69 0.00 0.00 178.15 178.92 1dti h LYS 102 N 0.55 0.52 0.00 2.37 1.63 -1.93 -0.70 116.57 119.01 1dti h LYS 102 Ca 0.20 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 1dti h LYS 102 Cb 0.12 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1dti h LYS 102 CO -0.05 0.34 -0.40 1.88 -3.45 0.00 0.00 179.45 177.78 1dti h TYR 103 N 0.54 0.00 0.00 1.91 0.99 -1.44 -1.90 116.97 117.07 1dti h TYR 103 Ca 0.41 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.04 1dti h TYR 103 Cb 0.57 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.28 1dti h TYR 103 CO -0.13 0.40 -0.48 -0.07 -0.00 0.00 0.00 178.16 177.87 1dti h LEU 104 N 0.00 0.00 -0.39 3.88 3.38 -1.03 -1.39 115.31 119.76 1dti h LEU 104 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1dti h LEU 104 Cb 0.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1dti h LEU 104 CO 0.05 0.48 0.11 -0.33 0.09 0.00 0.00 178.44 178.84 1dti h GLU 105 N 0.00 0.61 -0.50 1.13 5.08 -0.51 -1.49 114.58 118.90 1dti h GLU 105 Ca -0.00 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1dti h GLU 105 Cb 0.94 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1dti h GLU 105 CO 0.06 0.63 0.17 0.74 -1.00 0.00 0.00 179.01 179.61 1dti h PHE 106 N 0.48 0.80 0.00 4.33 0.05 -0.98 -2.10 116.94 119.52 1dti h PHE 106 Ca 0.12 -0.07 -0.13 0.00 3.82 0.00 0.00 57.97 61.71 1dti h PHE 106 Cb 0.28 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 37.98 1dti h PHE 106 CO 0.01 0.68 -0.60 0.97 -0.18 0.00 0.00 178.31 179.20 1dti h ILE 107 N 0.68 1.38 -0.48 -0.55 2.10 -1.20 -2.26 117.51 117.18 1dti h ILE 107 Ca 0.16 -2.08 -0.00 0.00 1.08 0.00 0.00 64.86 64.02 1dti h ILE 107 Cb 0.25 2.14 -0.02 0.00 -1.09 0.00 0.00 36.82 38.10 1dti h ILE 107 CO -0.01 0.59 0.28 0.28 -1.08 0.00 0.00 178.15 178.21 1dti h SER 108 N 0.00 0.58 -0.65 2.19 0.02 -0.94 -0.96 113.55 113.79 1dti h SER 108 Ca -0.01 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1dti h SER 108 Cb 1.09 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 1dti h SER 108 CO 0.08 0.47 0.42 -0.33 -1.14 0.00 0.00 176.83 176.33 1dti h GLU 109 N 0.63 0.82 -0.69 3.45 5.08 -1.15 -1.76 114.58 120.96 1dti h GLU 109 Ca 0.17 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1dti h GLU 109 Cb 0.00 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1dti h GLU 109 CO -0.03 0.54 0.45 0.00 -1.00 0.00 0.00 179.01 178.97 1dti h ALA 110 N 1.25 0.88 -0.31 3.43 0.00 -1.12 -0.53 119.26 122.87 1dti h ALA 110 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1dti h ALA 110 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1dti h ALA 110 CO -0.07 0.27 0.17 0.82 0.00 0.00 0.00 179.25 180.43 1dti h ILE 111 N 0.91 1.13 -0.71 0.00 2.04 -0.86 -1.88 117.51 118.14 1dti h ILE 111 Ca 0.26 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1dti h ILE 111 Cb -0.07 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1dti h ILE 111 CO -0.07 0.13 0.24 0.40 0.00 0.00 0.00 178.15 178.85 1dti h ILE 112 N 0.37 1.25 -0.32 -0.67 2.04 -1.10 -1.80 117.51 117.29 1dti h ILE 112 Ca 0.11 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1dti h ILE 112 Cb 0.07 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1dti h ILE 112 CO -0.02 0.34 0.21 -0.74 0.00 0.00 0.00 178.15 177.93 1dti h HIS 113 N 1.04 0.40 -0.31 1.37 2.76 -0.81 -1.69 115.15 117.91 1dti h HIS 113 Ca 0.23 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.28 1dti h HIS 113 Cb 0.27 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 1dti h HIS 113 CO 0.02 0.26 -0.31 0.28 -1.30 0.00 0.00 177.93 176.89 1dti h VAL 114 N 0.42 1.29 -0.83 5.26 2.07 -1.16 -0.87 116.25 122.44 1dti h VAL 114 Ca 0.12 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 1dti h VAL 114 Cb -0.04 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1dti h VAL 114 CO -0.02 0.48 0.51 -0.07 0.02 0.00 0.00 177.57 178.49 1dti h LEU 115 N 0.52 0.97 -0.47 2.57 3.38 -1.23 -1.01 115.31 120.04 1dti h LEU 115 Ca 0.05 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1dti h LEU 115 Cb 0.88 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1dti h LEU 115 CO 0.08 0.73 -0.62 -0.74 0.09 0.00 0.00 178.44 177.98 1dti h HIS 116 N 1.13 0.65 -0.46 1.13 2.76 -1.10 -0.59 115.15 118.67 1dti h HIS 116 Ca 0.30 -0.25 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 1dti h HIS 116 Cb -0.08 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1dti h HIS 116 CO 0.00 0.99 -0.06 0.77 -1.30 0.00 0.00 177.93 178.33 1dti h SER 117 N 0.37 0.84 0.43 3.26 0.02 -0.74 -3.24 113.55 114.49 1dti h SER 117 Ca -0.01 -0.34 -0.30 0.00 -0.84 0.00 0.00 61.79 60.30 1dti h SER 117 Cb 1.17 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 1dti h SER 117 CO 0.11 0.98 -1.77 0.54 -1.14 0.00 0.00 176.83 175.56 1dti n ARG 118 N -4.31 0.65 -2.54 3.45 1.74 -0.42 -4.62 116.66 110.61 1dti n ARG 118 Ca -0.00 0.29 -0.17 0.00 -0.77 0.00 0.00 57.85 57.20 1dti n ARG 118 Cb 0.35 -1.78 0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1dti n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1dti n HIS 119 N -3.10 2.25 -0.10 -1.55 8.25 -0.23 -4.91 115.22 115.81 1dti n HIS 119 Ca -0.19 -2.82 0.05 0.00 -0.26 0.00 0.00 57.72 54.50 1dti n HIS 119 Cb 1.05 -0.24 0.39 0.00 1.12 0.00 0.00 29.99 32.31 1dti n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1dti h PRO 120 N 2.72 0.65 0.00 -0.41 0.13 -1.73 0.64 132.00 134.00 1dti h PRO 120 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1dti h PRO 120 Cb 1.11 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1dti h PRO 120 CO 0.64 0.43 0.00 0.78 -0.23 0.00 0.00 178.00 179.62 1dti h GLY 121 N 0.67 0.00 -0.28 1.56 0.00 -1.91 -2.58 103.07 100.53 1dti h GLY 121 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1dti h GLY 121 CO -0.07 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.17 1dti n ASN 122 N -2.79 2.20 -3.19 0.19 3.02 0.13 -4.80 115.26 110.03 1dti n ASN 122 Ca -0.01 -2.01 -0.20 0.00 -0.03 0.00 0.00 54.58 52.33 1dti n ASN 122 Cb 0.15 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1dti n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1dti n PHE 123 N -0.28 0.08 -0.83 3.10 7.35 -0.65 -4.79 117.46 121.43 1dti n PHE 123 Ca 0.03 -3.74 0.00 0.00 -0.76 0.00 0.00 57.45 52.98 1dti n PHE 123 Cb 0.29 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 39.72 1dti n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dti n GLY 124 N 0.65 -0.29 0.29 7.13 0.00 -1.25 -4.66 105.19 107.06 1dti n GLY 124 Ca 0.24 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 1dti n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dti h ALA 125 N -1.65 0.92 -0.61 4.61 0.00 -1.99 -0.57 119.26 119.97 1dti h ALA 125 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1dti h ALA 125 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dti h ALA 125 CO 0.00 0.38 0.04 -0.44 0.00 0.00 0.00 179.25 179.23 1dti h ASP 126 N 0.98 1.00 -0.02 0.00 3.45 -1.99 -0.96 116.42 118.88 1dti h ASP 126 Ca 0.26 -0.26 -0.19 0.00 0.43 0.00 0.00 57.03 57.27 1dti h ASP 126 Cb -0.06 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.45 1dti h ASP 126 CO -0.05 1.03 -0.66 0.00 -1.57 0.00 0.00 179.24 177.99 1dti h ALA 127 N 1.08 0.52 -0.59 3.45 0.00 -1.77 -1.92 119.26 120.02 1dti h ALA 127 Ca 0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1dti h ALA 127 Cb 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1dti h ALA 127 CO 0.02 0.71 0.28 1.96 0.00 0.00 0.00 179.25 182.22 1dti h GLN 128 N 0.47 0.85 -0.42 0.00 4.20 -0.96 -0.82 115.11 118.42 1dti h GLN 128 Ca -0.02 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1dti h GLN 128 Cb 1.25 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1dti h GLN 128 CO 0.13 0.69 0.22 0.78 -0.67 0.00 0.00 178.83 179.97 1dti h GLY 129 N 0.80 0.64 0.95 3.46 0.00 -1.08 0.02 103.07 107.86 1dti h GLY 129 Ca 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1dti h GLY 129 CO -0.03 0.29 0.16 0.00 0.00 0.00 0.00 176.54 176.97 1dti h ALA 130 N 1.06 0.55 -0.63 3.60 0.00 -1.16 -1.58 119.26 121.11 1dti h ALA 130 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1dti h ALA 130 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1dti h ALA 130 CO -0.02 0.17 0.10 1.98 0.00 0.00 0.00 179.25 181.48 1dti h MET 131 N 0.54 1.04 -0.68 0.00 -1.53 -1.07 -1.50 114.93 111.74 1dti h MET 131 Ca 0.14 -0.28 0.03 0.00 -3.44 0.00 0.00 59.70 56.15 1dti h MET 131 Cb 0.21 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.10 1dti h MET 131 CO -0.01 0.97 0.42 -0.97 0.14 0.00 0.00 176.91 177.46 1dti h ASN 132 N 0.96 0.69 -0.58 1.39 -0.73 -0.79 -1.43 115.58 115.08 1dti h ASN 132 Ca 0.19 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 1dti h ASN 132 Cb 0.43 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 1dti h ASN 132 CO 0.01 0.48 0.26 0.11 -0.37 0.00 0.00 177.43 177.92 1dti h LYS 133 N 0.83 0.85 -0.45 6.67 1.57 -1.05 0.08 116.57 125.06 1dti h LYS 133 Ca 0.27 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1dti h LYS 133 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1dti h LYS 133 CO -0.11 0.71 -0.10 0.00 -0.57 0.00 0.00 179.45 179.38 1dti h ALA 134 N 1.10 0.97 -0.04 3.86 0.00 -0.81 0.21 119.26 124.54 1dti h ALA 134 Ca 0.20 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1dti h ALA 134 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dti h ALA 134 CO -0.02 0.61 -0.61 -0.07 0.00 0.00 0.00 179.25 179.16 1dti h LEU 135 N 0.74 0.17 -0.33 0.00 3.38 -1.14 -1.83 115.31 116.29 1dti h LEU 135 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1dti h LEU 135 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1dti h LEU 135 CO 0.04 0.74 0.09 -0.33 0.09 0.00 0.00 178.44 179.07 1dti h GLU 136 N 0.11 0.52 -0.73 1.13 5.08 -0.56 -1.66 114.58 118.48 1dti h GLU 136 Ca -0.01 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1dti h GLU 136 Cb 1.10 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1dti h GLU 136 CO 0.09 0.57 0.48 1.25 -1.00 0.00 0.00 179.01 180.40 1dti h LEU 137 N 0.38 0.84 -0.55 1.33 5.85 -0.82 -0.79 115.31 121.55 1dti h LEU 137 Ca 0.11 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1dti h LEU 137 Cb 0.27 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1dti h LEU 137 CO -0.00 0.61 0.26 0.15 -0.34 0.00 0.00 178.44 179.13 1dti h PHE 138 N 0.99 0.48 -0.30 1.25 3.04 -1.23 -1.59 116.94 119.58 1dti h PHE 138 Ca 0.27 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.11 1dti h PHE 138 Cb -0.10 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.27 1dti h PHE 138 CO -0.02 0.21 -0.30 0.00 -2.02 0.00 0.00 178.31 176.18 1dti h ARG 139 N 0.50 0.73 -0.48 1.11 3.08 -0.81 -1.35 114.38 117.15 1dti h ARG 139 Ca 0.25 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1dti h ARG 139 Cb 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1dti h ARG 139 CO -0.19 1.01 0.30 -0.22 -1.07 0.00 0.00 179.97 179.79 1dti h LYS 140 N 0.48 0.58 -0.01 0.04 3.64 -1.02 -1.60 116.57 118.68 1dti h LYS 140 Ca 0.05 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 1dti h LYS 140 Cb 0.87 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1dti h LYS 140 CO 0.07 0.39 -0.88 -0.44 -2.27 0.00 0.00 179.45 176.32 1dti h ASP 141 N 0.60 0.42 0.75 4.20 3.32 -1.13 -2.48 116.42 122.10 1dti h ASP 141 Ca 0.19 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 1dti h ASP 141 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1dti h ASP 141 CO -0.07 1.12 -0.59 -0.29 -1.72 0.00 0.00 179.24 177.69 1dti h ILE 142 N 0.19 1.31 -0.55 0.35 2.10 -1.18 -2.74 117.51 117.00 1dti h ILE 142 Ca -0.06 -2.10 -0.04 0.00 1.08 0.00 0.00 64.86 63.74 1dti h ILE 142 Cb 1.50 2.17 -0.02 0.00 -1.09 0.00 0.00 36.82 39.38 1dti h ILE 142 CO 0.15 0.58 0.18 0.00 -1.08 0.00 0.00 178.15 177.98 1dti h ALA 143 N 1.41 0.72 -0.93 0.18 0.00 -1.15 0.10 119.26 119.59 1dti h ALA 143 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1dti h ALA 143 Cb 1.12 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1dti h ALA 143 CO 0.08 0.37 0.59 0.00 0.00 0.00 0.00 179.25 180.29 1dti h ALA 144 N 1.04 1.19 -0.20 0.00 0.00 -1.29 -2.22 119.26 117.77 1dti h ALA 144 Ca 0.18 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1dti h ALA 144 Cb 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1dti h ALA 144 CO -0.01 0.62 -0.62 0.87 0.00 0.00 0.00 179.25 180.11 1dti h LYS 145 N 1.28 0.71 -0.47 0.00 1.79 -1.14 -2.35 116.57 116.39 1dti h LYS 145 Ca 0.34 -0.49 0.10 0.00 -2.18 0.00 0.00 60.65 58.41 1dti h LYS 145 Cb -0.10 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 30.53 1dti h LYS 145 CO -0.07 1.12 -0.19 1.88 -1.08 0.00 0.00 179.45 181.11 1dti h TYR 146 N 0.53 -0.47 -0.63 -1.35 0.99 -0.62 -2.30 116.97 113.12 1dti h TYR 146 Ca -0.01 0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1dti h TYR 146 Cb 1.21 0.28 -0.02 0.00 1.00 0.00 0.00 36.73 39.20 1dti h TYR 146 CO 0.06 -0.28 0.05 0.87 -0.00 0.00 0.00 178.16 178.86 1dti h LYS 147 N -0.09 1.08 -0.57 4.88 1.57 -1.16 -1.25 116.57 121.03 1dti h LYS 147 Ca 0.22 -0.32 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1dti h LYS 147 Cb 0.44 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1dti h LYS 147 CO -0.53 1.02 0.38 1.49 -0.57 0.00 0.00 179.45 181.24 1dti h GLU 148 N 0.99 0.43 -0.01 3.15 4.81 -1.09 -0.74 114.58 122.13 1dti h GLU 148 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1dti h GLU 148 Cb 0.51 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1dti h GLU 148 CO 0.02 0.29 -0.17 1.28 -0.73 0.00 0.00 179.01 179.70 1dti n LEU 149 N -4.47 0.71 0.00 1.64 4.77 -0.82 -4.93 117.00 113.89 1dti n LEU 149 Ca 0.09 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1dti n LEU 149 Cb 0.31 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1dti n LEU 149 CO 0.34 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1dti n GLY 150 N 1.31 0.90 3.23 -0.72 0.00 -0.28 -5.04 105.19 104.58 1dti n GLY 150 Ca 0.13 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1dti n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dti s TYR 151 N -2.00 2.66 -0.48 1.61 6.04 -0.54 -5.00 117.35 119.64 1dti s TYR 151 Ca 0.00 -1.08 0.24 0.00 0.04 0.00 0.00 57.07 56.26 1dti s TYR 151 Cb 0.00 -1.79 0.39 0.00 -1.04 0.00 0.00 41.96 39.53 1dti s TYR 151 CO 0.00 -0.46 1.56 1.96 -1.54 0.00 0.00 175.55 177.07 1dti h GLN 152 N 6.98 0.00 0.00 4.97 1.08 -1.92 -2.86 115.11 123.37 1dti h GLN 152 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1dti h GLN 152 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1dti h GLN 152 CO 0.52 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.81