#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtm s LEU 2 N 0.00 3.08 0.76 6.55 1.02 -1.26 -5.12 118.68 123.71 1dtm s LEU 2 Ca 0.00 -0.27 -0.11 0.00 0.02 0.00 0.00 54.13 53.77 1dtm s LEU 2 Cb 0.00 -1.83 0.05 0.00 0.02 0.00 0.00 46.19 44.43 1dtm s LEU 2 CO 0.00 0.23 1.09 -0.94 0.02 0.00 0.00 176.35 176.75 1dtm s SER 3 N -1.79 4.86 0.27 2.29 1.04 -1.26 -4.84 113.70 114.27 1dtm s SER 3 Ca 0.19 1.37 -0.00 0.00 0.48 0.00 0.00 55.95 57.99 1dtm s SER 3 Cb -0.11 -2.16 0.51 0.00 0.10 0.00 0.00 66.02 64.37 1dtm s SER 3 CO 0.11 -1.74 1.82 -0.08 0.98 0.00 0.00 173.24 174.32 1dtm h GLU 4 N -0.93 0.87 -0.64 4.02 4.57 -2.00 0.34 114.58 120.80 1dtm h GLU 4 Ca -0.46 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1dtm h GLU 4 Cb 1.25 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 1dtm h GLU 4 CO 0.59 0.57 0.38 0.78 -1.18 0.00 0.00 179.01 180.15 1dtm h GLY 5 N 0.89 0.94 1.23 1.92 0.00 -1.99 -0.66 103.07 105.39 1dtm h GLY 5 Ca 0.47 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.26 1dtm h GLY 5 CO -0.27 0.39 -0.30 0.83 0.00 0.00 0.00 176.54 177.18 1dtm h GLU 6 N 0.87 0.87 -0.53 4.80 5.08 -1.53 -2.55 114.58 121.59 1dtm h GLU 6 Ca 0.23 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1dtm h GLU 6 Cb -0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1dtm h GLU 6 CO -0.04 1.05 0.10 -1.49 -1.00 0.00 0.00 179.01 177.63 1dtm h TRP 7 N 0.73 0.85 -0.08 4.33 4.06 0.36 -1.69 115.95 124.51 1dtm h TRP 7 Ca 0.08 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.85 1dtm h TRP 7 Cb 0.86 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 1dtm h TRP 7 CO 0.05 0.73 -0.36 1.96 -3.56 0.00 0.00 178.44 177.26 1dtm h GLN 8 N 0.79 0.17 -0.58 0.49 4.20 -0.75 -0.06 115.11 119.36 1dtm h GLN 8 Ca 0.17 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1dtm h GLN 8 Cb 0.33 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1dtm h GLN 8 CO 0.00 0.52 0.28 -0.07 -0.67 0.00 0.00 178.83 178.89 1dtm h LEU 9 N 0.15 0.76 -0.46 1.46 3.38 -1.23 0.22 115.31 119.59 1dtm h LEU 9 Ca 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1dtm h LEU 9 Cb 0.72 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1dtm h LEU 9 CO 0.05 0.67 0.16 0.58 0.09 0.00 0.00 178.44 180.00 1dtm h VAL 10 N 0.79 1.22 0.00 1.22 2.07 -0.35 -1.86 116.25 119.34 1dtm h VAL 10 Ca 0.20 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1dtm h VAL 10 Cb 0.12 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1dtm h VAL 10 CO -0.03 0.26 -0.15 -0.07 0.02 0.00 0.00 177.57 177.60 1dtm h LEU 11 N 0.60 0.00 -0.36 2.57 3.38 -0.87 0.30 115.31 120.93 1dtm h LEU 11 Ca 0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1dtm h LEU 11 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1dtm h LEU 11 CO -0.01 0.15 -0.32 -0.74 0.09 0.00 0.00 178.44 177.61 1dtm h HIS 12 N 0.00 1.02 -0.00 1.13 2.76 -0.19 -2.20 115.15 117.66 1dtm h HIS 12 Ca -0.00 -0.30 -0.17 0.00 -2.20 0.00 0.00 60.37 57.70 1dtm h HIS 12 Cb 0.86 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1dtm h HIS 12 CO 0.00 1.09 -0.80 0.28 -1.30 0.00 0.00 177.93 177.21 1dtm h VAL 13 N 0.66 1.51 -0.85 5.26 2.07 -1.00 -3.17 116.25 120.73 1dtm h VAL 13 Ca 0.06 -2.57 0.17 0.00 0.82 0.00 0.00 66.70 65.18 1dtm h VAL 13 Cb 0.90 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 33.01 1dtm h VAL 13 CO 0.08 0.74 0.56 -0.25 0.02 0.00 0.00 177.57 178.72 1dtm h TRP 14 N 0.06 0.63 -0.91 1.57 2.91 0.16 -2.20 115.95 118.16 1dtm h TRP 14 Ca -0.02 0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.17 1dtm h TRP 14 Cb 1.39 -0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 29.75 1dtm h TRP 14 CO 0.01 0.21 0.52 0.00 -1.03 0.00 0.00 178.44 178.15 1dtm h ALA 15 N 1.62 1.41 -0.11 2.65 0.00 -1.38 0.08 119.26 123.53 1dtm h ALA 15 Ca 0.43 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 1dtm h ALA 15 Cb 0.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1dtm h ALA 15 CO -0.17 -0.02 -0.57 0.87 0.00 0.00 0.00 179.25 179.36 1dtm h LYS 16 N 0.73 0.34 -0.72 0.00 1.79 -1.53 -2.38 116.57 114.80 1dtm h LYS 16 Ca 0.50 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.69 1dtm h LYS 16 Cb 0.68 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 1dtm h LYS 16 CO -0.35 0.81 0.20 0.28 -1.08 0.00 0.00 179.45 179.31 1dtm h VAL 17 N 0.26 1.26 -0.09 0.50 2.07 -0.86 -2.70 116.25 116.69 1dtm h VAL 17 Ca 0.00 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.61 1dtm h VAL 17 Cb 1.07 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1dtm h VAL 17 CO 0.09 0.36 0.10 -0.33 0.02 0.00 0.00 177.57 177.81 1dtm h GLU 18 N 1.07 0.00 0.00 1.57 5.08 -0.68 -2.00 114.58 119.62 1dtm h GLU 18 Ca 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1dtm h GLU 18 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1dtm h GLU 18 CO -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 177.83 1dtm h ALA 19 N 1.89 1.52 -1.18 3.43 0.00 -1.33 -3.36 119.26 120.23 1dtm h ALA 19 Ca 0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 54.91 54.37 1dtm h ALA 19 Cb 0.23 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 17.71 1dtm h ALA 19 CO -0.00 0.23 -0.86 -3.47 0.00 0.00 0.00 179.25 175.15 1dtm n ASP 20 N -4.06 -1.01 -0.18 0.00 4.64 -0.77 -5.00 116.55 110.16 1dtm n ASP 20 Ca -0.02 -2.99 -0.07 0.00 -1.38 0.00 0.00 54.79 50.32 1dtm n ASP 20 Cb 0.26 0.38 0.02 0.00 -1.04 0.00 0.00 41.12 40.74 1dtm n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1dtm h VAL 21 N 2.33 1.18 -0.84 5.18 2.07 -1.68 0.91 116.25 125.41 1dtm h VAL 21 Ca -0.02 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1dtm h VAL 21 Cb 0.95 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1dtm h VAL 21 CO 0.40 0.20 0.55 0.00 0.02 0.00 0.00 177.57 178.74 1dtm h ALA 22 N 1.11 1.51 -0.04 1.67 0.00 -1.91 0.26 119.26 121.87 1dtm h ALA 22 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1dtm h ALA 22 Cb 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dtm h ALA 22 CO -0.03 0.39 -0.42 0.78 0.00 0.00 0.00 179.25 179.98 1dtm h GLY 23 N 1.01 0.40 1.19 0.00 0.00 -1.75 -0.42 103.07 103.50 1dtm h GLY 23 Ca 0.34 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1dtm h GLY 23 CO -0.11 0.54 0.38 0.45 0.00 0.00 0.00 176.54 177.81 1dtm h HIS 24 N -0.16 1.04 0.05 5.60 3.86 -0.69 -2.62 115.15 122.22 1dtm h HIS 24 Ca -0.04 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1dtm h HIS 24 Cb 1.10 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 29.20 1dtm h HIS 24 CO 0.14 0.74 -0.34 0.78 0.86 0.00 0.00 177.93 180.11 1dtm h GLY 25 N 1.09 -0.61 1.40 2.45 0.00 -0.26 -0.79 103.07 106.35 1dtm h GLY 25 Ca 0.26 0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.94 1dtm h GLY 25 CO -0.04 -0.24 0.01 1.46 0.00 0.00 0.00 176.54 177.73 1dtm h GLN 26 N -0.53 0.74 -0.59 4.80 4.20 -1.06 -2.92 115.11 119.74 1dtm h GLN 26 Ca 0.05 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1dtm h GLN 26 Cb 0.59 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1dtm h GLN 26 CO -0.25 0.74 0.21 -0.44 -0.67 0.00 0.00 178.83 178.42 1dtm h ASP 27 N 0.69 0.85 -0.40 1.46 3.32 -0.81 -1.35 116.42 120.18 1dtm h ASP 27 Ca 0.14 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.07 1dtm h ASP 27 Cb 0.41 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 1dtm h ASP 27 CO 0.02 0.81 -0.01 0.40 -1.72 0.00 0.00 179.24 178.73 1dtm h ILE 28 N 0.83 0.68 -0.38 0.35 2.04 -1.10 0.15 117.51 120.08 1dtm h ILE 28 Ca 0.19 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.91 1dtm h ILE 28 Cb 0.25 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1dtm h ILE 28 CO -0.01 0.02 -0.24 -0.07 0.00 0.00 0.00 178.15 177.85 1dtm h LEU 29 N 0.09 0.79 -0.85 1.44 3.38 -1.38 -0.80 115.31 117.98 1dtm h LEU 29 Ca 0.20 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1dtm h LEU 29 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1dtm h LEU 29 CO -0.34 1.00 -0.24 0.40 0.09 0.00 0.00 178.44 179.35 1dtm h ILE 30 N 0.67 1.27 -0.18 1.22 2.04 -0.71 -1.90 117.51 119.92 1dtm h ILE 30 Ca 0.09 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 1dtm h ILE 30 Cb 0.75 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1dtm h ILE 30 CO 0.06 0.42 -0.05 -0.09 0.00 0.00 0.00 178.15 178.49 1dtm h ARG 31 N 0.51 0.35 0.20 2.37 9.65 -0.83 -1.52 114.38 125.11 1dtm h ARG 31 Ca 0.07 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1dtm h ARG 31 Cb 0.69 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 1dtm h ARG 31 CO 0.05 0.62 -0.34 1.25 2.80 0.00 0.00 179.97 184.35 1dtm h LEU 32 N 0.05 -0.98 -0.57 3.80 5.85 -0.86 0.82 115.31 123.43 1dtm h LEU 32 Ca 0.04 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1dtm h LEU 32 Cb 0.50 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1dtm h LEU 32 CO 0.02 -0.45 0.22 -0.26 -0.34 0.00 0.00 178.44 177.63 1dtm h PHE 33 N -0.62 0.38 -0.23 1.25 0.04 -1.37 0.72 116.94 117.12 1dtm h PHE 33 Ca 0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1dtm h PHE 33 Cb 0.62 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1dtm h PHE 33 CO -0.27 0.12 0.03 0.87 -0.60 0.00 0.00 178.31 178.45 1dtm h LYS 34 N 0.41 0.39 0.00 1.51 6.56 -0.86 -1.97 116.57 122.60 1dtm h LYS 34 Ca 0.28 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1dtm h LYS 34 Cb 0.31 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1dtm h LYS 34 CO -0.27 0.54 -0.07 0.66 -2.06 0.00 0.00 179.45 178.25 1dtm h SER 35 N 0.18 0.00 -1.38 0.86 4.64 0.16 -3.40 113.55 114.61 1dtm h SER 35 Ca 0.07 -0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.02 1dtm h SER 35 Cb 0.35 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.18 1dtm h SER 35 CO 0.01 0.00 -0.74 1.41 -0.87 0.00 0.00 176.83 176.64 1dtm n HIS 36 N -2.87 -2.32 0.29 4.77 8.25 0.16 -5.00 115.22 118.50 1dtm n HIS 36 Ca 0.04 -2.38 0.17 0.00 -0.26 0.00 0.00 57.72 55.29 1dtm n HIS 36 Cb 0.51 0.84 0.83 0.00 1.12 0.00 0.00 29.99 33.28 1dtm n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1dtm h PRO 37 N 4.83 0.00 0.00 -0.41 0.13 -1.52 -2.20 132.00 132.83 1dtm h PRO 37 Ca 0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1dtm h PRO 37 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1dtm h PRO 37 CO 0.25 0.00 -0.14 1.05 -0.23 0.00 0.00 178.00 178.94 1dtm h GLU 38 N 0.00 0.00 0.00 0.86 9.09 -1.93 -0.26 114.58 122.34 1dtm h GLU 38 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1dtm h GLU 38 Cb 0.16 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1dtm h GLU 38 CO 0.00 0.14 -0.12 1.79 0.05 0.00 0.00 179.01 180.86 1dtm h THR 39 N 0.00 0.63 -0.29 -1.06 1.35 -1.76 -3.07 112.91 108.71 1dtm h THR 39 Ca -0.00 -0.53 -0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1dtm h THR 39 Cb 0.35 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1dtm h THR 39 CO 0.02 0.12 0.18 0.25 -0.25 0.00 0.00 175.52 175.84 1dtm h LEU 40 N 0.00 0.34 -1.95 3.87 5.85 -1.21 -2.19 115.31 120.03 1dtm h LEU 40 Ca -0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1dtm h LEU 40 Cb 0.33 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1dtm h LEU 40 CO 0.02 0.27 0.41 -0.33 -0.34 0.00 0.00 178.44 178.46 1dtm h GLU 41 N 0.40 0.00 0.00 1.25 3.07 -1.67 0.76 114.58 118.40 1dtm h GLU 41 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1dtm h GLU 41 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1dtm h GLU 41 CO -0.02 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.22 1dtm n LYS 42 N -3.32 0.25 -3.75 2.33 4.76 -0.82 -4.58 118.16 113.02 1dtm n LYS 42 Ca 0.03 0.25 -0.37 0.00 -2.87 0.00 0.00 58.31 55.35 1dtm n LYS 42 Cb 0.52 -1.82 -0.12 0.00 -1.84 0.00 0.00 35.03 31.77 1dtm n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1dtm s PHE 43 N -3.14 3.16 -0.01 2.13 0.08 0.27 -4.94 117.98 115.53 1dtm s PHE 43 Ca 0.10 -0.98 -0.03 0.00 0.12 0.00 0.00 56.93 56.13 1dtm s PHE 43 Cb 0.12 -2.26 -0.28 0.00 -0.57 0.00 0.00 43.02 40.03 1dtm s PHE 43 CO 0.56 -0.58 0.82 -0.44 -0.10 0.00 0.00 175.22 175.48 1dtm h ASP 44 N 8.24 0.39 0.01 1.36 3.32 -1.81 -2.76 116.42 125.18 1dtm h ASP 44 Ca -0.31 -0.56 -0.04 0.00 0.02 0.00 0.00 57.03 56.14 1dtm h ASP 44 Cb 1.12 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1dtm h ASP 44 CO 0.61 1.47 -0.10 0.08 -1.72 0.00 0.00 179.24 179.58 1dtm h ARG 45 N 0.07 0.22 0.00 3.56 0.11 -1.94 -2.81 114.38 113.59 1dtm h ARG 45 Ca -0.26 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1dtm h ARG 45 Cb 2.02 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 33.07 1dtm h ARG 45 CO 0.16 0.33 -0.96 1.19 0.10 0.00 0.00 179.97 180.79 1dtm n PHE 46 N -4.31 0.59 -0.29 4.08 3.72 -1.25 -4.44 117.46 115.57 1dtm n PHE 46 Ca -0.01 0.17 0.08 0.00 -0.05 0.00 0.00 57.45 57.64 1dtm n PHE 46 Cb 0.24 -0.70 0.19 0.00 -0.94 0.00 0.00 39.48 38.27 1dtm n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1dtm h LYS 47 N 0.00 0.06 0.00 -1.08 6.56 -1.20 0.12 116.57 121.03 1dtm h LYS 47 Ca 0.00 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1dtm h LYS 47 Cb 0.85 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1dtm h LYS 47 CO 0.00 0.04 0.00 -2.39 -2.06 0.00 0.00 179.45 175.04 1dtm n HIS 48 N -5.41 0.00 -2.64 -1.35 1.44 -1.26 -4.69 115.22 101.31 1dtm n HIS 48 Ca 0.16 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.46 1dtm n HIS 48 Cb 0.55 -0.26 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 1dtm n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1dtm s LEU 49 N -2.53 3.72 0.35 2.39 1.43 0.41 -4.90 118.68 119.56 1dtm s LEU 49 Ca 0.14 -1.26 0.18 0.00 -1.03 0.00 0.00 54.13 52.16 1dtm s LEU 49 Cb 0.10 -2.53 0.54 0.00 0.03 0.00 0.00 46.19 44.33 1dtm s LEU 49 CO 0.21 -1.52 1.66 0.11 0.23 0.00 0.00 176.35 177.05 1dtm h LYS 50 N 9.69 0.00 -4.52 1.70 1.57 -1.88 -3.46 116.57 119.68 1dtm h LYS 50 Ca 0.04 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 1dtm h LYS 50 Cb 1.03 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.19 1dtm h LYS 50 CO 1.33 0.40 -0.68 0.95 -0.57 0.00 0.00 179.45 180.87 1dtm s THR 51 N -3.43 0.47 0.25 -0.16 -4.23 -1.26 -5.04 115.64 102.24 1dtm s THR 51 Ca 0.01 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1dtm s THR 51 Cb 0.10 -1.75 0.26 0.00 1.34 0.00 0.00 72.50 72.45 1dtm s THR 51 CO 0.70 -0.80 1.93 -0.08 -0.54 0.00 0.00 174.62 175.83 1dtm h GLU 52 N 2.97 1.32 -0.70 3.99 4.81 -1.97 1.17 114.58 126.16 1dtm h GLU 52 Ca -0.35 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1dtm h GLU 52 Cb 1.17 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1dtm h GLU 52 CO 0.64 0.87 0.29 0.00 -0.73 0.00 0.00 179.01 180.08 1dtm h ALA 53 N 1.37 0.91 0.00 2.92 0.00 -1.98 0.91 119.26 123.39 1dtm h ALA 53 Ca 0.37 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1dtm h ALA 53 Cb -0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1dtm h ALA 53 CO -0.08 0.52 -0.87 0.93 0.00 0.00 0.00 179.25 179.75 1dtm h GLU 54 N 0.99 0.00 -0.31 0.00 5.08 -1.07 -2.59 114.58 116.68 1dtm h GLU 54 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1dtm h GLU 54 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1dtm h GLU 54 CO -0.02 0.87 0.20 0.52 -1.00 0.00 0.00 179.01 179.58 1dtm h MET 55 N 0.00 0.42 -0.07 2.33 2.86 0.22 -2.66 114.93 118.02 1dtm h MET 55 Ca -0.01 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1dtm h MET 55 Cb 1.59 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 1dtm h MET 55 CO 0.11 0.30 0.11 0.87 1.06 0.00 0.00 176.91 179.36 1dtm h LYS 56 N 0.41 0.00 0.00 1.72 1.57 0.91 -2.61 116.57 118.56 1dtm h LYS 56 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1dtm h LYS 56 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1dtm h LYS 56 CO -0.02 0.00 -0.72 0.00 -0.57 0.00 0.00 179.45 178.14 1dtm n ALA 57 N -2.24 3.07 -2.23 3.86 0.00 -0.99 -4.93 120.51 117.05 1dtm n ALA 57 Ca -0.01 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 1dtm n ALA 57 Cb 0.20 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 1dtm n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dtm s SER 58 N -4.08 7.47 0.11 0.00 0.15 -0.99 -4.94 113.70 111.42 1dtm s SER 58 Ca 0.06 1.83 0.10 0.00 0.70 0.00 0.00 55.95 58.64 1dtm s SER 58 Cb 0.14 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.68 1dtm s SER 58 CO 0.74 -0.08 1.17 1.05 1.20 0.00 0.00 173.24 177.32 1dtm h GLU 59 N 5.50 0.00 -0.22 5.44 9.09 -1.91 -3.07 114.58 129.40 1dtm h GLU 59 Ca -0.43 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.94 1dtm h GLU 59 Cb 1.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.30 1dtm h GLU 59 CO 0.72 0.81 -0.02 0.22 0.05 0.00 0.00 179.01 180.78 1dtm h ASP 60 N 0.00 0.40 -0.58 3.06 -0.00 -1.96 0.22 116.42 117.55 1dtm h ASP 60 Ca -0.07 -0.34 -0.08 0.00 -0.00 0.00 0.00 57.03 56.55 1dtm h ASP 60 Cb 1.76 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 40.95 1dtm h ASP 60 CO 0.11 0.64 0.08 0.25 -0.00 0.00 0.00 179.24 180.31 1dtm h LEU 61 N 0.15 0.97 -0.55 2.28 7.12 -1.88 -1.75 115.31 121.65 1dtm h LEU 61 Ca 0.06 -0.23 -0.14 0.00 0.13 0.00 0.00 57.88 57.70 1dtm h LEU 61 Cb 0.45 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1dtm h LEU 61 CO 0.02 0.98 -0.34 0.50 -0.13 0.00 0.00 178.44 179.47 1dtm h LYS 62 N 0.95 0.80 -0.53 1.25 3.64 -1.36 0.11 116.57 121.42 1dtm h LYS 62 Ca 0.19 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1dtm h LYS 62 Cb 0.44 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1dtm h LYS 62 CO 0.01 1.02 0.28 0.87 -2.27 0.00 0.00 179.45 179.36 1dtm h LYS 63 N 0.67 0.76 -0.52 1.90 1.57 -0.41 -0.25 116.57 120.28 1dtm h LYS 63 Ca 0.07 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1dtm h LYS 63 Cb 0.89 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1dtm h LYS 63 CO 0.08 0.60 0.21 1.25 -0.57 0.00 0.00 179.45 181.02 1dtm h HIS 64 N 0.71 0.80 -0.42 -1.35 2.76 -1.10 0.51 115.15 117.06 1dtm h HIS 64 Ca 0.19 -0.06 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 1dtm h HIS 64 Cb 0.08 -0.24 -0.06 0.00 1.55 0.00 0.00 27.41 28.75 1dtm h HIS 64 CO -0.01 0.66 0.08 0.78 -1.30 0.00 0.00 177.93 178.14 1dtm h GLY 65 N 0.71 0.49 0.89 5.26 0.00 -0.56 -0.66 103.07 109.19 1dtm h GLY 65 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1dtm h GLY 65 CO -0.01 -0.05 -0.00 -2.08 0.00 0.00 0.00 176.54 174.40 1dtm h VAL 66 N 0.21 1.26 -0.85 4.60 2.07 0.34 -2.39 116.25 121.48 1dtm h VAL 66 Ca 0.20 -0.95 0.12 0.00 0.82 0.00 0.00 66.70 66.90 1dtm h VAL 66 Cb 0.25 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1dtm h VAL 66 CO -0.27 0.31 0.47 0.74 0.02 0.00 0.00 177.57 178.83 1dtm h THR 67 N 0.34 0.82 -0.02 2.57 2.02 0.90 -2.30 112.91 117.24 1dtm h THR 67 Ca 0.09 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1dtm h THR 67 Cb 0.44 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1dtm h THR 67 CO 0.02 0.13 0.01 0.58 0.37 0.00 0.00 175.52 176.62 1dtm h VAL 68 N 0.72 1.15 -0.47 3.16 2.07 -1.02 -2.95 116.25 118.92 1dtm h VAL 68 Ca 0.44 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1dtm h VAL 68 Cb 0.53 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1dtm h VAL 68 CO -0.31 0.11 -0.02 -0.07 0.02 0.00 0.00 177.57 177.31 1dtm h LEU 69 N -0.15 0.76 -0.44 2.57 3.38 -1.20 -1.49 115.31 118.74 1dtm h LEU 69 Ca 0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1dtm h LEU 69 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1dtm h LEU 69 CO -0.00 0.84 0.02 0.74 0.09 0.00 0.00 178.44 180.13 1dtm h THR 70 N 0.73 1.26 0.61 0.22 2.02 -1.49 0.27 112.91 116.52 1dtm h THR 70 Ca 0.14 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1dtm h THR 70 Cb 0.48 1.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1dtm h THR 70 CO 0.02 0.34 -0.29 0.00 0.37 0.00 0.00 175.52 175.96 1dtm h ALA 71 N 0.92 -0.82 -1.01 6.16 0.00 -1.34 0.29 119.26 123.46 1dtm h ALA 71 Ca 0.13 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.06 1dtm h ALA 71 Cb 0.46 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1dtm h ALA 71 CO 0.02 -0.89 0.61 1.25 0.00 0.00 0.00 179.25 180.24 1dtm h LEU 72 N -0.96 0.68 -0.27 0.00 5.85 -1.29 -0.28 115.31 119.05 1dtm h LEU 72 Ca -0.08 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1dtm h LEU 72 Cb 0.67 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1dtm h LEU 72 CO 0.14 0.17 -0.02 1.23 -0.34 0.00 0.00 178.44 179.61 1dtm h GLY 73 N 0.62 0.53 1.52 3.75 0.00 -0.71 -1.39 103.07 107.40 1dtm h GLY 73 Ca 0.61 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1dtm h GLY 73 CO -0.41 0.37 0.17 0.00 0.00 0.00 0.00 176.54 176.67 1dtm h ALA 74 N 0.80 1.48 -0.15 3.60 0.00 0.79 -2.30 119.26 123.49 1dtm h ALA 74 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dtm h ALA 74 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1dtm h ALA 74 CO 0.02 0.40 0.09 0.82 0.00 0.00 0.00 179.25 180.57 1dtm h ILE 75 N 0.62 1.08 -0.26 0.00 2.04 -1.01 -3.23 117.51 116.76 1dtm h ILE 75 Ca 0.15 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1dtm h ILE 75 Cb 0.13 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1dtm h ILE 75 CO -0.01 0.08 -0.20 -0.07 0.00 0.00 0.00 178.15 177.95 1dtm h LEU 76 N 0.16 0.45 0.00 1.44 3.38 -0.83 -1.88 115.31 118.03 1dtm h LEU 76 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1dtm h LEU 76 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1dtm h LEU 76 CO -0.01 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.47 1dtm n LYS 77 N -4.16 0.34 0.00 1.13 5.02 -0.90 -1.71 118.16 117.88 1dtm n LYS 77 Ca -0.00 0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.50 1dtm n LYS 77 Cb 0.36 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.33 1dtm n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dtm n LYS 78 N -1.15 0.52 -4.06 1.97 4.01 -0.70 -4.94 118.16 113.81 1dtm n LYS 78 Ca 0.09 -0.25 -0.35 0.00 -0.51 0.00 0.00 58.31 57.29 1dtm n LYS 78 Cb 0.09 -1.49 -0.02 0.00 -0.51 0.00 0.00 35.03 33.09 1dtm n LYS 78 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1dtm n LYS 79 N -1.02 -1.26 0.00 1.97 5.02 -0.69 0.69 118.16 122.86 1dtm n LYS 79 Ca 0.11 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1dtm n LYS 79 Cb 0.32 -3.52 0.00 0.00 -0.02 0.00 0.00 35.03 31.81 1dtm n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dtm n GLY 80 N -2.16 1.80 2.69 0.72 0.00 -1.26 -4.92 105.19 102.06 1dtm n GLY 80 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1dtm n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dtm n HIS 81 N -2.00 2.79 -0.44 1.61 8.25 0.22 -4.78 115.22 120.87 1dtm n HIS 81 Ca 0.00 -2.51 0.07 0.00 -0.26 0.00 0.00 57.72 55.01 1dtm n HIS 81 Cb 0.00 -1.23 0.19 0.00 1.12 0.00 0.00 29.99 30.07 1dtm n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1dtm n HIS 82 N -0.05 0.63 -0.22 4.41 1.44 -1.26 -4.79 115.22 115.37 1dtm n HIS 82 Ca 0.49 -0.62 -0.04 0.00 -2.01 0.00 0.00 57.72 55.55 1dtm n HIS 82 Cb 0.26 -0.12 0.02 0.00 0.12 0.00 0.00 29.99 30.27 1dtm n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1dtm h GLU 83 N 2.00 -0.12 -0.88 -1.40 3.07 -1.97 0.97 114.58 116.24 1dtm h GLU 83 Ca 0.00 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.01 1dtm h GLU 83 Cb 0.97 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 28.81 1dtm h GLU 83 CO 0.07 -0.08 0.48 0.00 -1.40 0.00 0.00 179.01 178.09 1dtm h ALA 84 N 1.16 1.34 0.07 3.43 0.00 -2.01 0.21 119.26 123.46 1dtm h ALA 84 Ca 0.26 0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 1dtm h ALA 84 Cb 0.55 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1dtm h ALA 84 CO -0.71 -0.03 -1.11 0.93 0.00 0.00 0.00 179.25 178.32 1dtm h GLU 85 N 0.70 0.46 -0.20 0.00 3.07 -1.41 -3.33 114.58 113.87 1dtm h GLU 85 Ca 0.47 -0.59 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1dtm h GLU 85 Cb 0.64 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1dtm h GLU 85 CO -0.34 1.23 -0.37 1.25 -1.40 0.00 0.00 179.01 179.38 1dtm h LEU 86 N 0.22 0.68 -0.39 1.33 6.46 0.16 -3.36 115.31 120.41 1dtm h LEU 86 Ca -0.13 -0.54 0.06 0.00 -0.12 0.00 0.00 57.88 57.15 1dtm h LEU 86 Cb 1.78 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 41.43 1dtm h LEU 86 CO 0.20 1.09 -0.48 0.50 -0.62 0.00 0.00 178.44 179.13 1dtm h LYS 87 N 0.29 -0.36 -0.93 1.25 3.64 -0.73 -1.33 116.57 118.40 1dtm h LYS 87 Ca 0.01 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.61 1dtm h LYS 87 Cb 0.97 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.79 1dtm h LYS 87 CO 0.08 -0.24 0.60 -1.35 -2.27 0.00 0.00 179.45 176.28 1dtm h PRO 88 N -0.37 0.51 -0.10 1.90 0.10 -1.73 0.28 132.00 132.58 1dtm h PRO 88 Ca 0.11 -0.03 -0.18 0.00 0.10 0.00 0.00 66.00 66.00 1dtm h PRO 88 Cb 0.60 -0.11 -0.00 0.00 0.10 0.00 0.00 31.00 31.58 1dtm h PRO 88 CO -0.58 0.34 -0.70 -0.07 0.10 0.00 0.00 178.00 177.09 1dtm h LEU 89 N 0.52 0.55 -0.72 2.35 3.38 -1.45 -0.39 115.31 119.55 1dtm h LEU 89 Ca 0.50 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1dtm h LEU 89 Cb 1.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1dtm h LEU 89 CO -0.23 1.09 -0.08 0.00 0.09 0.00 0.00 178.44 179.31 1dtm h ALA 90 N 0.90 0.91 0.05 1.53 0.00 -0.80 0.15 119.26 122.02 1dtm h ALA 90 Ca -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1dtm h ALA 90 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1dtm h ALA 90 CO 0.12 0.63 -0.03 1.96 0.00 0.00 0.00 179.25 181.94 1dtm h GLN 91 N 0.81 -0.07 -0.22 0.00 1.08 -0.74 0.46 115.11 116.43 1dtm h GLN 91 Ca 0.14 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1dtm h GLN 91 Cb 0.60 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1dtm h GLN 91 CO 0.04 0.16 0.01 0.66 -0.95 0.00 0.00 178.83 178.75 1dtm h SER 92 N -0.30 0.29 1.92 1.46 4.64 -0.94 -0.04 113.55 120.57 1dtm h SER 92 Ca -0.01 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1dtm h SER 92 Cb 0.27 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1dtm h SER 92 CO 0.01 0.34 -0.02 1.23 -0.87 0.00 0.00 176.83 177.52 1dtm h GLY 93 N 0.60 0.00 1.32 -0.77 0.00 0.47 -0.41 103.07 104.28 1dtm h GLY 93 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1dtm h GLY 93 CO 0.00 0.00 -1.09 0.00 0.00 0.00 0.00 176.54 175.46 1dtm h ALA 94 N 1.98 0.65 0.00 3.60 0.00 0.46 -0.42 119.26 125.52 1dtm h ALA 94 Ca -0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 1dtm h ALA 94 Cb 0.99 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1dtm h ALA 94 CO 0.00 0.75 -1.94 0.25 0.00 0.00 0.00 179.25 178.32 1dtm n THR 95 N -2.98 0.94 -0.01 0.00 -2.24 -0.08 -4.67 114.28 105.23 1dtm n THR 95 Ca -0.05 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1dtm n THR 95 Cb 0.78 -1.25 -0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1dtm n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1dtm n LYS 96 N -3.19 0.03 0.05 -0.78 4.76 -0.24 -4.76 118.16 114.04 1dtm n LYS 96 Ca -0.30 0.22 -0.11 0.00 -2.87 0.00 0.00 58.31 55.25 1dtm n LYS 96 Cb 0.79 -0.77 0.01 0.00 -1.84 0.00 0.00 35.03 33.22 1dtm n LYS 96 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dtm h HIS 97 N -0.07 0.57 -5.20 2.13 -0.00 -1.58 -3.49 115.15 107.50 1dtm h HIS 97 Ca 0.00 -0.27 -0.23 0.00 -0.00 0.00 0.00 60.37 59.88 1dtm h HIS 97 Cb 0.04 -0.08 0.18 0.00 -0.00 0.00 0.00 27.41 27.55 1dtm h HIS 97 CO -0.02 1.04 -0.77 1.63 -0.00 0.00 0.00 177.93 179.81 1dtm n LYS 98 N -3.81 -2.08 -3.48 2.45 5.02 -0.21 -4.95 118.16 111.09 1dtm n LYS 98 Ca -0.05 0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 56.65 1dtm n LYS 98 Cb 0.74 -5.40 -0.08 0.00 -0.02 0.00 0.00 35.03 30.27 1dtm n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1dtm s ILE 99 N -3.35 5.25 0.51 -0.18 -1.09 -0.92 -5.04 121.20 116.38 1dtm s ILE 99 Ca 0.41 0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 59.15 1dtm s ILE 99 Cb -0.05 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1dtm s ILE 99 CO 0.66 0.28 1.08 -2.16 -1.23 0.00 0.00 174.94 173.58 1dtm s PRO 100 N 1.24 3.60 0.56 2.79 0.04 -1.26 -4.85 135.00 137.11 1dtm s PRO 100 Ca 0.15 1.47 0.27 0.00 0.04 0.00 0.00 61.00 62.93 1dtm s PRO 100 Cb -0.14 -2.05 1.47 0.00 0.04 0.00 0.00 34.50 33.81 1dtm s PRO 100 CO 0.07 -0.62 1.99 0.82 0.04 0.00 0.00 177.00 179.30 1dtm h ILE 101 N 1.39 0.59 -0.25 0.56 1.08 -1.97 0.15 117.51 119.07 1dtm h ILE 101 Ca -0.50 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 1dtm h ILE 101 Cb 1.24 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 1dtm h ILE 101 CO 0.58 0.00 0.11 0.50 -0.69 0.00 0.00 178.15 178.65 1dtm h LYS 102 N 0.00 0.36 -0.97 2.37 1.63 -2.00 -0.19 116.57 117.77 1dtm h LYS 102 Ca 0.22 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1dtm h LYS 102 Cb 0.97 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.48 1dtm h LYS 102 CO -0.00 0.37 0.64 1.88 -3.45 0.00 0.00 179.45 178.89 1dtm h TYR 103 N 0.26 1.20 0.00 1.91 0.99 -1.05 -0.62 116.97 119.66 1dtm h TYR 103 Ca 0.08 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 1dtm h TYR 103 Cb 0.13 -0.40 -0.01 0.00 1.00 0.00 0.00 36.73 37.45 1dtm h TYR 103 CO -0.02 0.71 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.49 1dtm h LEU 104 N 1.25 0.00 -0.67 3.88 3.38 -0.84 -2.01 115.31 120.30 1dtm h LEU 104 Ca 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 1dtm h LEU 104 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dtm h LEU 104 CO -0.11 0.29 -0.33 -0.33 0.09 0.00 0.00 178.44 178.05 1dtm h GLU 105 N 0.00 0.00 -0.15 1.13 5.08 0.47 -1.77 114.58 119.35 1dtm h GLU 105 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1dtm h GLU 105 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1dtm h GLU 105 CO 0.04 0.33 -0.10 0.74 -1.00 0.00 0.00 179.01 179.02 1dtm h PHE 106 N 0.00 0.38 -0.67 4.33 0.05 -0.82 -2.13 116.94 118.09 1dtm h PHE 106 Ca -0.00 -0.10 -0.03 0.00 3.82 0.00 0.00 57.97 61.66 1dtm h PHE 106 Cb 0.99 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 38.83 1dtm h PHE 106 CO 0.00 0.68 0.31 0.97 -0.18 0.00 0.00 178.31 180.09 1dtm h ILE 107 N -0.02 1.22 -0.71 -0.55 2.10 -1.33 -1.83 117.51 116.38 1dtm h ILE 107 Ca 0.03 -0.62 0.05 0.00 1.08 0.00 0.00 64.86 65.40 1dtm h ILE 107 Cb 0.59 0.37 -0.05 0.00 -1.09 0.00 0.00 36.82 36.64 1dtm h ILE 107 CO 0.03 0.26 0.42 0.28 -1.08 0.00 0.00 178.15 178.06 1dtm h SER 108 N 0.94 0.66 0.19 2.19 0.02 -1.13 -0.85 113.55 115.58 1dtm h SER 108 Ca 0.23 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1dtm h SER 108 Cb 0.11 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1dtm h SER 108 CO -0.03 0.44 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.48 1dtm h GLU 109 N 0.79 -0.53 -0.96 3.45 4.39 -0.67 -1.73 114.58 119.33 1dtm h GLU 109 Ca 0.31 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.14 1dtm h GLU 109 Cb 0.13 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.82 1dtm h GLU 109 CO -0.16 -0.35 0.60 0.00 -1.16 0.00 0.00 179.01 177.94 1dtm h ALA 110 N 0.10 1.40 0.44 3.43 0.00 -1.08 -1.35 119.26 122.20 1dtm h ALA 110 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dtm h ALA 110 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1dtm h ALA 110 CO -0.12 0.25 -0.33 0.82 0.00 0.00 0.00 179.25 179.87 1dtm h ILE 111 N 0.99 0.31 -0.21 0.00 2.04 -0.56 -1.10 117.51 118.98 1dtm h ILE 111 Ca 0.46 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.34 1dtm h ILE 111 Cb 0.37 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1dtm h ILE 111 CO -0.24 0.00 0.06 0.40 0.00 0.00 0.00 178.15 178.37 1dtm h ILE 112 N -0.77 0.92 -0.69 -0.67 2.04 -1.09 -1.20 117.51 116.07 1dtm h ILE 112 Ca -0.04 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1dtm h ILE 112 Cb 0.65 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1dtm h ILE 112 CO 0.01 0.03 0.36 -0.74 0.00 0.00 0.00 178.15 177.81 1dtm h HIS 113 N 0.15 0.66 -0.44 1.37 2.76 -1.07 0.13 115.15 118.71 1dtm h HIS 113 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1dtm h HIS 113 Cb 0.08 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 1dtm h HIS 113 CO -0.13 0.28 0.28 0.28 -1.30 0.00 0.00 177.93 177.34 1dtm h VAL 114 N 0.65 1.13 -0.32 5.26 2.07 -0.80 -1.13 116.25 123.10 1dtm h VAL 114 Ca 0.32 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1dtm h VAL 114 Cb 0.26 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1dtm h VAL 114 CO -0.22 0.13 0.04 -0.07 0.02 0.00 0.00 177.57 177.47 1dtm h LEU 115 N 0.59 0.44 -0.01 2.57 3.38 -0.18 -0.27 115.31 121.84 1dtm h LEU 115 Ca 0.16 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 1dtm h LEU 115 Cb -0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1dtm h LEU 115 CO -0.03 0.48 -1.05 -0.74 0.09 0.00 0.00 178.44 177.19 1dtm h HIS 116 N 0.47 0.19 -0.11 1.13 2.76 -0.10 -0.08 115.15 119.41 1dtm h HIS 116 Ca 0.11 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1dtm h HIS 116 Cb 0.25 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 1dtm h HIS 116 CO 0.01 1.08 -0.04 0.77 -1.30 0.00 0.00 177.93 178.44 1dtm h SER 117 N 0.03 0.24 0.50 3.26 0.02 -0.54 -2.92 113.55 114.13 1dtm h SER 117 Ca -0.05 -0.39 -0.18 0.00 -0.84 0.00 0.00 61.79 60.32 1dtm h SER 117 Cb 1.79 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1dtm h SER 117 CO 0.15 0.58 -0.80 0.03 -1.14 0.00 0.00 176.83 175.65 1dtm h ARG 118 N -0.11 0.23 -1.00 3.45 3.08 -1.13 -3.39 114.38 115.51 1dtm h ARG 118 Ca 0.03 -0.22 -0.47 0.00 0.07 0.00 0.00 59.98 59.39 1dtm h ARG 118 Cb 0.48 0.06 -0.41 0.00 0.08 0.00 0.00 29.97 30.17 1dtm h ARG 118 CO 0.01 0.91 -0.93 0.72 -1.07 0.00 0.00 179.97 179.62 1dtm n HIS 119 N -3.73 2.35 -0.35 3.04 8.25 -0.04 -4.92 115.22 119.81 1dtm n HIS 119 Ca -0.03 -2.63 -0.07 0.00 -0.26 0.00 0.00 57.72 54.72 1dtm n HIS 119 Cb 0.75 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.56 1dtm n HIS 119 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1dtm n PRO 120 N -0.47 -0.33 0.00 -0.41 -0.02 -1.10 -0.60 135.00 132.07 1dtm n PRO 120 Ca 0.28 1.29 0.11 0.00 -2.02 0.00 0.00 63.50 63.16 1dtm n PRO 120 Cb 0.80 -1.90 0.63 0.00 -0.02 0.00 0.00 33.50 33.01 1dtm n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dtm n GLY 121 N -1.26 -0.68 0.07 -1.23 0.00 -1.26 -2.39 105.19 98.44 1dtm n GLY 121 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1dtm n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dtm n ASP 122 N -0.99 1.21 -2.98 1.61 9.92 0.23 -4.81 116.55 120.74 1dtm n ASP 122 Ca 0.16 -1.14 -0.25 0.00 -0.53 0.00 0.00 54.79 53.03 1dtm n ASP 122 Cb 0.07 -0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.51 1dtm n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1dtm n PHE 123 N 0.05 3.16 -1.78 1.24 7.35 -0.86 -4.82 117.46 121.80 1dtm n PHE 123 Ca 0.01 -3.93 -0.21 0.00 -0.76 0.00 0.00 57.45 52.56 1dtm n PHE 123 Cb 0.06 -0.46 0.14 0.00 0.35 0.00 0.00 39.48 39.57 1dtm n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dtm n GLY 124 N -0.14 -1.16 0.31 7.13 0.00 -1.26 -4.66 105.19 105.41 1dtm n GLY 124 Ca 0.30 -1.74 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 1dtm n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dtm h ALA 125 N -1.69 1.37 0.12 4.61 0.00 -1.97 0.27 119.26 121.96 1dtm h ALA 125 Ca -0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1dtm h ALA 125 Cb 0.88 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dtm h ALA 125 CO 0.23 0.47 -0.06 0.38 0.00 0.00 0.00 179.25 180.28 1dtm h ASP 126 N 0.75 -0.13 -0.54 0.00 -0.00 -1.98 0.16 116.42 114.68 1dtm h ASP 126 Ca 0.18 -0.19 -0.06 0.00 -0.00 0.00 0.00 57.03 56.96 1dtm h ASP 126 Cb 0.16 0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 39.50 1dtm h ASP 126 CO -0.02 0.11 0.11 0.00 -0.00 0.00 0.00 179.24 179.45 1dtm h ALA 127 N 0.47 1.09 -0.34 4.15 0.00 -1.75 -0.64 119.26 122.24 1dtm h ALA 127 Ca -0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1dtm h ALA 127 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1dtm h ALA 127 CO 0.03 0.60 -0.38 0.37 0.00 0.00 0.00 179.25 179.86 1dtm h GLN 128 N 0.88 0.82 -0.48 0.00 4.15 -0.37 0.34 115.11 120.44 1dtm h GLN 128 Ca 0.18 -0.42 -0.09 0.00 0.77 0.00 0.00 58.65 59.09 1dtm h GLN 128 Cb 0.37 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1dtm h GLN 128 CO 0.01 1.06 -0.06 0.78 -1.93 0.00 0.00 178.83 178.68 1dtm h GLY 129 N 0.88 0.91 1.10 2.39 0.00 -0.10 -0.92 103.07 107.33 1dtm h GLY 129 Ca 0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 1dtm h GLY 129 CO 0.09 0.61 -0.13 0.00 0.00 0.00 0.00 176.54 177.11 1dtm h ALA 130 N 1.15 0.74 0.00 3.60 0.00 -0.85 -2.53 119.26 121.36 1dtm h ALA 130 Ca 0.14 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1dtm h ALA 130 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1dtm h ALA 130 CO 0.03 0.67 -0.53 1.98 0.00 0.00 0.00 179.25 181.41 1dtm h MET 131 N 0.91 0.00 -0.51 0.00 -1.53 0.21 -2.69 114.93 111.32 1dtm h MET 131 Ca 0.13 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 1dtm h MET 131 Cb 0.71 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.73 1dtm h MET 131 CO 0.05 0.53 0.33 -0.97 0.14 0.00 0.00 176.91 176.99 1dtm h ASN 132 N 0.00 0.59 -0.45 1.39 -1.24 -0.92 -1.91 115.58 113.04 1dtm h ASN 132 Ca -0.01 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 1dtm h ASN 132 Cb 0.97 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.86 1dtm h ASN 132 CO 0.07 0.44 0.13 0.11 -1.29 0.00 0.00 177.43 176.89 1dtm h LYS 133 N 0.68 0.71 -0.29 6.67 1.57 -1.42 -0.25 116.57 124.25 1dtm h LYS 133 Ca 0.18 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1dtm h LYS 133 Cb -0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1dtm h LYS 133 CO -0.04 0.69 -0.28 0.00 -0.57 0.00 0.00 179.45 179.26 1dtm h ALA 134 N 0.99 0.98 0.00 3.86 0.00 -1.30 -0.57 119.26 123.21 1dtm h ALA 134 Ca 0.14 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1dtm h ALA 134 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dtm h ALA 134 CO -0.00 0.60 -0.33 -0.07 0.00 0.00 0.00 179.25 179.45 1dtm h LEU 135 N 0.51 0.00 -0.17 0.00 3.38 -0.99 -1.99 115.31 116.05 1dtm h LEU 135 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1dtm h LEU 135 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1dtm h LEU 135 CO 0.06 0.33 -0.47 -0.08 0.09 0.00 0.00 178.44 178.37 1dtm h GLU 136 N 0.00 0.62 -0.30 1.13 4.81 -0.64 -1.29 114.58 118.91 1dtm h GLU 136 Ca -0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1dtm h GLU 136 Cb 0.84 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1dtm h GLU 136 CO 0.04 1.06 0.19 1.25 -0.73 0.00 0.00 179.01 180.82 1dtm h LEU 137 N 0.28 0.35 0.26 1.64 5.85 -0.85 0.17 115.31 123.00 1dtm h LEU 137 Ca -0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1dtm h LEU 137 Cb 1.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1dtm h LEU 137 CO 0.10 0.27 -0.19 0.15 -0.34 0.00 0.00 178.44 178.43 1dtm h PHE 138 N 0.40 -0.49 -0.62 1.25 3.04 -1.38 -2.12 116.94 117.02 1dtm h PHE 138 Ca 0.11 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1dtm h PHE 138 Cb -0.03 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 1dtm h PHE 138 CO -0.05 -0.29 0.31 0.00 -2.02 0.00 0.00 178.31 176.27 1dtm h ARG 139 N -0.44 0.87 -0.59 1.11 3.08 -0.95 -1.58 114.38 115.87 1dtm h ARG 139 Ca -0.02 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1dtm h ARG 139 Cb 0.39 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1dtm h ARG 139 CO -0.00 0.66 0.20 -0.22 -1.07 0.00 0.00 179.97 179.54 1dtm h LYS 140 N 0.87 0.90 -0.28 0.04 3.64 -0.77 0.11 116.57 121.09 1dtm h LYS 140 Ca 0.22 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1dtm h LYS 140 Cb 0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1dtm h LYS 140 CO -0.03 0.80 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.42 1dtm h ASP 141 N 0.82 0.56 0.10 4.20 5.19 -1.32 -2.14 116.42 123.84 1dtm h ASP 141 Ca 0.19 -0.38 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1dtm h ASP 141 Cb 0.26 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1dtm h ASP 141 CO -0.01 0.82 -0.14 0.40 -3.12 0.00 0.00 179.24 177.18 1dtm h ILE 142 N 0.31 0.67 -1.01 0.35 1.08 -1.14 -2.47 117.51 115.30 1dtm h ILE 142 Ca 0.07 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.68 1dtm h ILE 142 Cb 0.58 0.67 -0.09 0.00 -3.07 0.00 0.00 36.82 34.90 1dtm h ILE 142 CO 0.03 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 178.12 1dtm h ALA 143 N 0.56 1.58 0.00 1.87 0.00 -0.47 -0.77 119.26 122.04 1dtm h ALA 143 Ca 0.02 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1dtm h ALA 143 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1dtm h ALA 143 CO -0.07 0.13 -0.53 0.00 0.00 0.00 0.00 179.25 178.78 1dtm h ALA 144 N 1.58 0.74 -0.06 0.00 0.00 -1.29 -2.84 119.26 117.39 1dtm h ALA 144 Ca 0.53 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1dtm h ALA 144 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1dtm h ALA 144 CO -0.31 0.66 -0.59 0.87 0.00 0.00 0.00 179.25 179.88 1dtm h LYS 145 N 0.00 0.21 -0.37 0.00 1.79 -0.77 -2.59 116.57 114.84 1dtm h LYS 145 Ca -0.01 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1dtm h LYS 145 Cb 1.28 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1dtm h LYS 145 CO 0.07 0.74 0.23 1.88 -1.08 0.00 0.00 179.45 181.29 1dtm h TYR 146 N 0.16 0.44 0.06 -1.35 0.99 -1.07 -1.94 116.97 114.26 1dtm h TYR 146 Ca -0.00 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dtm h TYR 146 Cb 1.09 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 38.67 1dtm h TYR 146 CO 0.02 0.27 -0.03 0.87 -0.00 0.00 0.00 178.16 179.29 1dtm h LYS 147 N 0.47 -0.07 -0.44 4.88 1.57 -1.39 0.45 116.57 122.04 1dtm h LYS 147 Ca 0.14 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.05 1dtm h LYS 147 Cb -0.03 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1dtm h LYS 147 CO -0.05 -0.00 0.51 1.05 -0.57 0.00 0.00 179.45 180.38 1dtm h GLU 148 N -0.12 0.00 -0.34 3.15 4.11 -1.26 2.01 114.58 122.13 1dtm h GLU 148 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1dtm h GLU 148 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1dtm h GLU 148 CO 0.01 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.37 1dtm n LEU 149 N -3.61 3.22 0.00 3.06 4.77 -0.54 -4.94 117.00 118.96 1dtm n LEU 149 Ca 0.08 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 1dtm n LEU 149 Cb 0.68 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1dtm n LEU 149 CO 0.26 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1dtm n GLY 150 N 1.46 0.54 0.43 -0.72 0.00 0.68 -4.97 105.19 102.61 1dtm n GLY 150 Ca 0.19 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 1dtm n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1dtm n TYR 151 N -2.74 0.00 0.00 1.61 -0.00 0.15 -4.96 117.16 111.22 1dtm n TYR 151 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1dtm n TYR 151 Cb 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 39.34 38.70 1dtm n TYR 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86