#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mls s VAL 1 N 0.00 0.07 0.33 3.17 1.01 -1.26 -5.07 120.40 118.65 1mls s VAL 1 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1mls s VAL 1 Cb 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 1mls s VAL 1 CO 0.00 0.13 0.67 -0.76 0.00 0.00 0.00 175.10 175.14 1mls s LEU 2 N 1.15 3.99 0.74 3.92 1.02 -1.26 -5.08 118.68 123.16 1mls s LEU 2 Ca -0.08 1.04 -0.10 0.00 0.02 0.00 0.00 54.13 55.01 1mls s LEU 2 Cb -0.13 -3.86 0.05 0.00 0.02 0.00 0.00 46.19 42.27 1mls s LEU 2 CO -0.02 -0.25 1.09 -0.94 0.02 0.00 0.00 176.35 176.24 1mls s SER 3 N -2.81 4.89 0.35 2.29 1.04 -1.26 -4.89 113.70 113.30 1mls s SER 3 Ca 0.50 0.75 0.09 0.00 0.48 0.00 0.00 55.95 57.77 1mls s SER 3 Cb -0.11 -1.40 0.65 0.00 0.10 0.00 0.00 66.02 65.27 1mls s SER 3 CO 0.26 -1.62 1.83 -0.08 0.98 0.00 0.00 173.24 174.60 1mls h GLU 4 N -0.76 0.22 -0.47 4.02 4.57 -1.99 -1.80 114.58 118.38 1mls h GLU 4 Ca -0.45 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 57.58 1mls h GLU 4 Cb 1.30 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1mls h GLU 4 CO 0.63 0.47 -0.01 0.78 -1.18 0.00 0.00 179.01 179.70 1mls h GLY 5 N 0.96 0.83 0.92 1.92 0.00 -1.99 -0.19 103.07 105.52 1mls h GLY 5 Ca 0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1mls h GLY 5 CO 0.04 0.52 -0.06 0.83 0.00 0.00 0.00 176.54 177.87 1mls h GLU 6 N 0.72 0.63 -0.42 4.80 5.08 -1.76 -2.47 114.58 121.17 1mls h GLU 6 Ca 0.14 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1mls h GLU 6 Cb 0.46 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1mls h GLU 6 CO 0.02 0.79 0.17 -1.49 -1.00 0.00 0.00 179.01 177.50 1mls h TRP 7 N 0.42 0.58 -0.57 4.33 -0.00 -1.05 -1.57 115.95 118.08 1mls h TRP 7 Ca 0.09 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 58.86 1mls h TRP 7 Cb 0.55 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.50 1mls h TRP 7 CO 0.05 0.45 -0.02 1.96 -0.00 0.00 0.00 178.44 180.88 1mls h GLN 8 N 0.59 1.03 -0.36 0.49 1.08 -0.74 0.73 115.11 117.92 1mls h GLN 8 Ca 0.14 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 56.97 1mls h GLN 8 Cb 0.11 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1mls h GLN 8 CO -0.02 1.02 0.05 -0.07 -0.95 0.00 0.00 178.83 178.87 1mls h LEU 9 N 0.91 0.51 -0.16 1.46 3.38 -0.94 -0.70 115.31 119.76 1mls h LEU 9 Ca 0.16 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1mls h LEU 9 Cb 0.57 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1mls h LEU 9 CO 0.03 0.54 -0.53 0.58 0.09 0.00 0.00 178.44 179.16 1mls h VAL 10 N 0.53 1.33 0.00 1.22 2.07 -0.83 -2.81 116.25 117.75 1mls h VAL 10 Ca 0.12 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1mls h VAL 10 Cb 0.27 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1mls h VAL 10 CO 0.00 0.55 -0.12 0.18 0.02 0.00 0.00 177.57 178.21 1mls n LEU 11 N -4.16 0.12 0.05 2.57 4.77 0.21 -1.32 117.00 119.24 1mls n LEU 11 Ca -0.07 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.09 1mls n LEU 11 Cb 0.61 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 1mls n LEU 11 CO 0.48 0.03 0.06 -0.74 -1.33 0.00 0.00 177.39 175.88 1mls h HIS 12 N 0.00 0.58 0.00 -1.77 2.76 -1.00 -1.50 115.15 114.22 1mls h HIS 12 Ca 0.00 -0.41 -0.16 0.00 -2.20 0.00 0.00 60.37 57.60 1mls h HIS 12 Cb 0.50 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 1mls h HIS 12 CO 0.00 1.31 -0.76 -0.24 -1.30 0.00 0.00 177.93 176.93 1mls h VAL 13 N -0.31 1.53 -0.08 5.26 3.04 -1.34 -3.02 116.25 121.33 1mls h VAL 13 Ca -0.14 -2.63 -0.05 0.00 -1.01 0.00 0.00 66.70 62.87 1mls h VAL 13 Cb 1.63 2.43 -0.01 0.00 -2.01 0.00 0.00 31.29 33.33 1mls h VAL 13 CO 0.16 0.75 -0.18 -0.25 -1.01 0.00 0.00 177.57 177.03 1mls h TRP 14 N 0.00 0.13 0.00 3.17 2.91 -1.09 -1.45 115.95 119.62 1mls h TRP 14 Ca -0.01 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 1mls h TRP 14 Cb 1.37 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.98 1mls h TRP 14 CO 0.00 0.31 -0.17 0.00 -1.03 0.00 0.00 178.44 177.55 1mls h ALA 15 N 1.70 1.41 0.02 2.65 0.00 -1.14 -1.10 119.26 122.80 1mls h ALA 15 Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1mls h ALA 15 Cb 0.40 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mls h ALA 15 CO 0.03 0.21 -0.30 0.87 0.00 0.00 0.00 179.25 180.06 1mls h LYS 16 N 0.00 0.18 -0.85 0.00 1.79 -1.35 -3.12 116.57 113.22 1mls h LYS 16 Ca -0.00 -0.21 0.18 0.00 -2.18 0.00 0.00 60.65 58.44 1mls h LYS 16 Cb 0.37 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 30.97 1mls h LYS 16 CO 0.02 0.98 0.37 0.28 -1.08 0.00 0.00 179.45 180.02 1mls h VAL 17 N -0.53 0.58 0.00 0.50 2.07 -0.90 -1.57 116.25 116.39 1mls h VAL 17 Ca -0.04 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1mls h VAL 17 Cb 1.09 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1mls h VAL 17 CO 0.06 0.08 0.00 -0.62 0.02 0.00 0.00 177.57 177.11 1mls n GLU 18 N -5.00 0.10 0.24 1.57 1.02 -0.46 -1.26 120.64 116.85 1mls n GLU 18 Ca 0.19 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.95 1mls n GLU 18 Cb 0.54 -1.77 0.55 0.00 -0.02 0.00 0.00 31.44 30.75 1mls n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mls h ALA 19 N 2.14 1.04 -2.13 0.62 0.00 -1.27 -3.37 119.26 116.30 1mls h ALA 19 Ca 0.00 -0.14 -0.52 0.00 0.00 0.00 0.00 54.91 54.25 1mls h ALA 19 Cb 0.12 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.54 1mls h ALA 19 CO 0.00 0.19 -0.91 -3.47 0.00 0.00 0.00 179.25 175.06 1mls n ASP 20 N -3.34 -0.93 -0.06 0.00 2.03 -0.39 -5.01 116.55 108.85 1mls n ASP 20 Ca -0.00 -2.47 -0.13 0.00 0.52 0.00 0.00 54.79 52.71 1mls n ASP 20 Cb 0.37 -0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 40.56 1mls n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mls h VAL 21 N 4.57 1.29 -0.36 5.18 2.07 -1.72 -2.24 116.25 125.02 1mls h VAL 21 Ca 0.23 -1.74 -0.14 0.00 0.82 0.00 0.00 66.70 65.87 1mls h VAL 21 Cb 0.94 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1mls h VAL 21 CO 0.32 0.56 -0.35 0.00 0.02 0.00 0.00 177.57 178.12 1mls h ALA 22 N 0.78 0.70 -0.51 1.67 0.00 -1.91 -0.19 119.26 119.80 1mls h ALA 22 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1mls h ALA 22 Cb 1.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1mls h ALA 22 CO 0.12 0.67 0.24 0.78 0.00 0.00 0.00 179.25 181.05 1mls h GLY 23 N 0.89 0.79 1.10 0.00 0.00 -1.92 -1.40 103.07 102.52 1mls h GLY 23 Ca 0.07 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1mls h GLY 23 CO 0.08 0.38 -0.12 0.45 0.00 0.00 0.00 176.54 177.33 1mls h HIS 24 N 0.68 1.16 -0.92 5.60 3.86 -1.20 -1.94 115.15 122.39 1mls h HIS 24 Ca 0.17 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1mls h HIS 24 Cb 0.13 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.27 1mls h HIS 24 CO -0.00 1.07 0.61 0.78 0.86 0.00 0.00 177.93 181.25 1mls h GLY 25 N 0.91 1.30 0.80 2.45 0.00 -0.78 -1.76 103.07 105.99 1mls h GLY 25 Ca 0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1mls h GLY 25 CO 0.05 0.46 -0.15 -1.61 0.00 0.00 0.00 176.54 175.29 1mls h GLN 26 N 1.23 -0.40 -0.62 4.80 4.15 -1.17 -1.93 115.11 121.16 1mls h GLN 26 Ca 0.34 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.88 1mls h GLN 26 Cb -0.11 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.60 1mls h GLN 26 CO -0.08 -0.14 0.27 -0.44 -1.93 0.00 0.00 178.83 176.51 1mls h ASP 27 N -0.62 0.32 0.12 -0.69 5.19 -1.20 -1.14 116.42 118.40 1mls h ASP 27 Ca -0.04 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1mls h ASP 27 Cb 0.44 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1mls h ASP 27 CO 0.07 0.19 -0.06 0.40 -3.12 0.00 0.00 179.24 176.73 1mls h ILE 28 N 0.48 0.93 -0.48 0.35 2.04 -1.24 -0.98 117.51 118.61 1mls h ILE 28 Ca 0.31 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 1mls h ILE 28 Cb 0.34 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1mls h ILE 28 CO -0.27 0.04 0.12 -0.07 0.00 0.00 0.00 178.15 177.96 1mls h LEU 29 N -0.22 0.66 -0.34 1.44 3.38 -1.14 -0.48 115.31 118.60 1mls h LEU 29 Ca -0.02 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1mls h LEU 29 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1mls h LEU 29 CO 0.03 0.65 -0.34 0.40 0.09 0.00 0.00 178.44 179.27 1mls h ILE 30 N 0.69 1.29 -0.54 1.22 2.04 -1.19 -0.03 117.51 120.99 1mls h ILE 30 Ca 0.16 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 1mls h ILE 30 Cb 0.25 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1mls h ILE 30 CO -0.00 0.50 0.25 -0.09 0.00 0.00 0.00 178.15 178.80 1mls h ARG 31 N 0.62 0.76 -0.11 2.37 9.65 -0.97 0.28 114.38 126.99 1mls h ARG 31 Ca 0.05 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1mls h ARG 31 Cb 0.92 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1mls h ARG 31 CO 0.08 0.60 -0.03 1.25 2.80 0.00 0.00 179.97 184.67 1mls h LEU 32 N 0.76 0.21 -0.71 3.80 5.85 -0.58 -0.69 115.31 123.95 1mls h LEU 32 Ca 0.19 -0.38 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 1mls h LEU 32 Cb 0.10 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1mls h LEU 32 CO -0.02 0.54 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.29 1mls h PHE 33 N -0.12 1.02 0.05 1.25 0.04 -0.72 0.13 116.94 118.58 1mls h PHE 33 Ca 0.03 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1mls h PHE 33 Cb 0.45 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1mls h PHE 33 CO 0.05 0.95 -0.02 0.87 -0.60 0.00 0.00 178.31 179.56 1mls h LYS 34 N 0.84 -0.07 -0.78 1.51 1.57 -0.27 -2.81 116.57 116.56 1mls h LYS 34 Ca 0.14 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1mls h LYS 34 Cb 0.59 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1mls h LYS 34 CO 0.04 0.31 0.30 0.77 -0.57 0.00 0.00 179.45 180.30 1mls h SER 35 N -0.45 1.08 -2.51 0.86 0.02 -0.99 -3.38 113.55 108.18 1mls h SER 35 Ca -0.01 -0.18 -0.60 0.00 -0.84 0.00 0.00 61.79 60.17 1mls h SER 35 Cb 0.40 -0.28 -0.39 0.00 0.14 0.00 0.00 62.40 62.27 1mls h SER 35 CO 0.01 0.96 -0.87 1.41 -1.14 0.00 0.00 176.83 177.20 1mls n HIS 36 N -4.29 0.30 0.14 3.45 8.25 0.42 -5.00 115.22 118.51 1mls n HIS 36 Ca 0.07 -3.60 0.19 0.00 -0.26 0.00 0.00 57.72 54.11 1mls n HIS 36 Cb 0.19 -0.03 0.78 0.00 1.12 0.00 0.00 29.99 32.05 1mls n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mls h PRO 37 N 5.39 0.00 0.00 -0.41 0.11 -1.68 -0.13 132.00 135.29 1mls h PRO 37 Ca 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1mls h PRO 37 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1mls h PRO 37 CO 0.48 0.00 -0.04 1.05 -0.21 0.00 0.00 178.00 179.28 1mls h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.03 114.58 121.76 1mls h GLU 38 Ca 0.14 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.50 1mls h GLU 38 Cb 0.76 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.86 1mls h GLU 38 CO -0.00 0.04 -0.25 1.79 0.05 0.00 0.00 179.01 180.64 1mls h THR 39 N 0.00 0.66 0.00 -1.06 1.35 -1.35 -2.10 112.91 110.41 1mls h THR 39 Ca -0.00 -1.14 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 1mls h THR 39 Cb 0.13 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1mls h THR 39 CO 0.01 0.25 -0.19 0.25 -0.25 0.00 0.00 175.52 175.58 1mls h LEU 40 N 0.00 0.00 -2.05 3.87 5.85 -1.34 -2.00 115.31 119.63 1mls h LEU 40 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1mls h LEU 40 Cb 0.72 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1mls h LEU 40 CO 0.03 0.19 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.91 1mls h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.48 -1.67 114.58 117.76 1mls h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mls h GLU 41 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1mls h GLU 41 CO 0.02 0.08 0.00 0.87 -1.00 0.00 0.00 179.01 178.99 1mls h LYS 42 N 0.00 0.00 -4.30 2.33 1.79 -1.50 -3.40 116.57 111.49 1mls h LYS 42 Ca -0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 1mls h LYS 42 Cb 0.19 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.62 1mls h LYS 42 CO 0.01 0.00 -0.01 -0.06 -1.08 0.00 0.00 179.45 178.31 1mls s PHE 43 N -3.36 3.23 0.53 -1.35 0.40 -0.63 -4.88 117.98 111.93 1mls s PHE 43 Ca 0.05 -1.29 0.34 0.00 -0.60 0.00 0.00 56.93 55.43 1mls s PHE 43 Cb 0.09 -3.90 1.88 0.00 0.51 0.00 0.00 43.02 41.60 1mls s PHE 43 CO 0.51 -1.13 2.22 -0.44 0.70 0.00 0.00 175.22 177.08 1mls h ASP 44 N 8.82 0.00 0.88 1.36 5.19 -1.83 -0.45 116.42 130.39 1mls h ASP 44 Ca -0.22 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.06 1mls h ASP 44 Cb 1.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 1mls h ASP 44 CO 1.02 0.03 -0.62 -0.09 -3.12 0.00 0.00 179.24 176.46 1mls h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.93 -3.34 114.38 115.10 1mls h ARG 45 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mls h ARG 45 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1mls h ARG 45 CO 0.00 0.62 -0.92 1.19 -1.51 0.00 0.00 179.97 179.36 1mls n PHE 46 N -3.55 0.00 -0.22 2.20 3.72 -0.54 -4.77 117.46 114.29 1mls n PHE 46 Ca -0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 1mls n PHE 46 Cb 0.67 -0.10 0.33 0.00 -0.94 0.00 0.00 39.48 39.45 1mls n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mls n LYS 47 N -1.51 -0.04 0.00 -1.08 4.81 -0.29 -1.65 118.16 118.39 1mls n LYS 47 Ca -0.00 0.95 0.09 0.00 -0.87 0.00 0.00 58.31 58.48 1mls n LYS 47 Cb 0.16 -1.65 0.41 0.00 0.02 0.00 0.00 35.03 33.97 1mls n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1mls n HIS 48 N -4.64 0.00 -2.27 5.64 1.44 -1.26 -4.83 115.22 109.30 1mls n HIS 48 Ca 0.22 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.51 1mls n HIS 48 Cb 0.76 -0.43 -0.02 0.00 0.12 0.00 0.00 29.99 30.42 1mls n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mls s LEU 49 N -2.85 4.18 -0.05 2.39 1.43 -0.66 -4.91 118.68 118.21 1mls s LEU 49 Ca 0.12 1.83 0.07 0.00 -1.03 0.00 0.00 54.13 55.11 1mls s LEU 49 Cb 0.12 -3.54 -0.24 0.00 0.03 0.00 0.00 46.19 42.56 1mls s LEU 49 CO 0.31 -0.87 0.63 0.11 0.23 0.00 0.00 176.35 176.75 1mls h LYS 50 N 8.90 0.08 -5.10 1.70 1.57 -1.90 -3.49 116.57 118.32 1mls h LYS 50 Ca -0.31 -0.14 -0.42 0.00 -1.87 0.00 0.00 60.65 57.91 1mls h LYS 50 Cb 1.13 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.35 1mls h LYS 50 CO 0.97 0.73 -0.61 0.95 -0.57 0.00 0.00 179.45 180.92 1mls s THR 51 N -2.59 0.97 0.34 -0.16 -4.23 -1.26 -5.02 115.64 103.68 1mls s THR 51 Ca -0.09 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.59 1mls s THR 51 Cb 0.08 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 71.36 1mls s THR 51 CO 0.81 -0.03 1.86 -0.08 -0.54 0.00 0.00 174.62 176.65 1mls h GLU 52 N 2.23 0.00 -0.17 3.99 4.81 -1.99 -0.07 114.58 123.39 1mls h GLU 52 Ca -0.40 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.68 1mls h GLU 52 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1mls h GLU 52 CO 0.66 0.31 -0.52 0.00 -0.73 0.00 0.00 179.01 178.73 1mls h ALA 53 N 1.69 0.78 -0.28 2.92 0.00 -1.99 0.96 119.26 123.34 1mls h ALA 53 Ca -0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1mls h ALA 53 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1mls h ALA 53 CO 0.04 0.68 -0.34 0.93 0.00 0.00 0.00 179.25 180.56 1mls h GLU 54 N 0.38 0.61 -0.44 0.00 5.08 -1.46 -2.35 114.58 116.40 1mls h GLU 54 Ca 0.01 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1mls h GLU 54 Cb 1.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1mls h GLU 54 CO 0.09 0.87 0.18 0.52 -1.00 0.00 0.00 179.01 179.67 1mls h MET 55 N 0.51 0.65 -0.13 2.33 2.86 -0.68 -2.45 114.93 118.03 1mls h MET 55 Ca 0.06 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1mls h MET 55 Cb 0.84 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1mls h MET 55 CO 0.07 0.60 -0.04 0.87 1.06 0.00 0.00 176.91 179.47 1mls h LYS 56 N 0.56 0.18 -0.01 1.72 1.57 -0.59 -1.75 116.57 118.26 1mls h LYS 56 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1mls h LYS 56 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1mls h LYS 56 CO -0.01 0.24 -0.17 0.00 -0.57 0.00 0.00 179.45 178.93 1mls n ALA 57 N -2.50 2.91 -2.56 3.86 0.00 -0.90 -4.85 120.51 116.47 1mls n ALA 57 Ca -0.01 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1mls n ALA 57 Cb 0.18 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1mls n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mls s SER 58 N -2.36 6.90 0.17 0.00 0.15 -0.66 -4.88 113.70 113.02 1mls s SER 58 Ca 0.29 1.25 -0.07 0.00 0.70 0.00 0.00 55.95 58.11 1mls s SER 58 Cb 0.20 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1mls s SER 58 CO 0.47 -0.87 1.52 -0.08 1.20 0.00 0.00 173.24 175.48 1mls h GLU 59 N 8.28 0.80 -0.01 5.44 4.57 -1.88 -2.64 114.58 129.14 1mls h GLU 59 Ca -0.22 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 57.55 1mls h GLU 59 Cb 1.08 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1mls h GLU 59 CO 1.01 1.05 -0.06 -0.44 -1.18 0.00 0.00 179.01 179.39 1mls h ASP 60 N 0.66 -0.17 -0.58 1.04 5.19 -1.97 -0.99 116.42 119.59 1mls h ASP 60 Ca 0.06 0.03 0.10 0.00 -0.62 0.00 0.00 57.03 56.60 1mls h ASP 60 Cb 0.95 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.46 1mls h ASP 60 CO 0.09 -0.09 0.15 0.25 -3.12 0.00 0.00 179.24 176.52 1mls h LEU 61 N -0.10 0.07 -1.29 1.55 5.85 -1.88 -1.73 115.31 117.79 1mls h LEU 61 Ca 0.03 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1mls h LEU 61 Cb 0.14 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1mls h LEU 61 CO -0.07 0.05 -0.03 0.50 -0.34 0.00 0.00 178.44 178.55 1mls h LYS 62 N 0.30 0.44 -0.49 1.25 3.64 -1.30 -0.94 116.57 119.48 1mls h LYS 62 Ca 0.30 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1mls h LYS 62 Cb 0.42 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1mls h LYS 62 CO -0.36 0.50 -0.15 0.87 -2.27 0.00 0.00 179.45 178.04 1mls h LYS 63 N 0.43 0.93 -0.24 1.90 1.57 -0.85 -2.30 116.57 118.01 1mls h LYS 63 Ca 0.09 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 1mls h LYS 63 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1mls h LYS 63 CO 0.01 1.01 -0.39 1.25 -0.57 0.00 0.00 179.45 180.76 1mls h HIS 64 N 0.82 0.66 -0.42 -1.35 2.76 -1.07 -1.92 115.15 114.62 1mls h HIS 64 Ca 0.12 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1mls h HIS 64 Cb 0.69 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 1mls h HIS 64 CO 0.04 0.86 0.24 0.78 -1.30 0.00 0.00 177.93 178.56 1mls h GLY 65 N 1.06 0.61 0.86 5.26 0.00 -0.64 0.28 103.07 110.49 1mls h GLY 65 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1mls h GLY 65 CO 0.08 0.24 -0.27 -2.08 0.00 0.00 0.00 176.54 174.51 1mls h VAL 66 N 0.58 1.34 -0.51 4.60 2.07 -0.98 -1.14 116.25 122.20 1mls h VAL 66 Ca 0.15 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.24 1mls h VAL 66 Cb 0.00 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1mls h VAL 66 CO -0.03 0.45 0.27 0.74 0.02 0.00 0.00 177.57 179.02 1mls h THR 67 N 0.19 0.97 0.43 2.57 2.02 -0.82 -0.21 112.91 118.06 1mls h THR 67 Ca 0.02 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1mls h THR 67 Cb 0.84 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1mls h THR 67 CO 0.06 0.10 -0.22 0.25 0.37 0.00 0.00 175.52 176.08 1mls h LEU 68 N 0.53 -0.52 -0.81 2.58 6.46 -0.87 -2.11 115.31 120.56 1mls h LEU 68 Ca 0.22 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.91 1mls h LEU 68 Cb 0.12 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1mls h LEU 68 CO -0.15 -0.36 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.09 1mls h LEU 69 N -0.59 0.72 -0.58 2.25 3.38 -1.13 -1.96 115.31 117.40 1mls h LEU 69 Ca -0.06 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1mls h LEU 69 Cb 0.46 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1mls h LEU 69 CO 0.09 0.89 0.37 0.74 0.09 0.00 0.00 178.44 180.61 1mls h THR 70 N 0.65 1.11 -0.77 0.22 2.02 -0.94 -0.06 112.91 115.15 1mls h THR 70 Ca 0.11 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1mls h THR 70 Cb 0.62 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1mls h THR 70 CO 0.04 0.14 0.31 0.00 0.37 0.00 0.00 175.52 176.38 1mls h ALA 71 N 1.23 1.00 -0.11 6.16 0.00 -1.11 -1.90 119.26 124.53 1mls h ALA 71 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1mls h ALA 71 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1mls h ALA 71 CO -0.07 0.62 0.02 1.25 0.00 0.00 0.00 179.25 181.07 1mls h LEU 72 N 1.12 0.18 -0.74 0.00 5.85 -1.21 -2.63 115.31 117.88 1mls h LEU 72 Ca 0.26 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1mls h LEU 72 Cb 0.21 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 1mls h LEU 72 CO -0.02 0.39 0.33 1.23 -0.34 0.00 0.00 178.44 180.02 1mls h GLY 73 N -0.04 1.12 2.00 3.75 0.00 -0.93 -0.29 103.07 108.69 1mls h GLY 73 Ca 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1mls h GLY 73 CO 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 176.54 176.34 1mls h ALA 74 N 1.50 1.59 0.21 3.60 0.00 -1.13 -1.73 119.26 123.30 1mls h ALA 74 Ca 0.39 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 1mls h ALA 74 Cb 0.53 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.32 1mls h ALA 74 CO -0.35 0.20 -1.25 0.82 0.00 0.00 0.00 179.25 178.67 1mls h ILE 75 N 0.00 1.36 -0.35 0.00 2.04 -0.97 -3.10 117.51 116.49 1mls h ILE 75 Ca -0.00 -2.63 -0.07 0.00 1.00 0.00 0.00 64.86 63.16 1mls h ILE 75 Cb 0.32 3.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 1mls h ILE 75 CO 0.02 0.78 -0.08 -0.07 0.00 0.00 0.00 178.15 178.80 1mls h LEU 76 N -0.02 0.55 -1.30 1.44 3.38 -0.85 -1.83 115.31 116.70 1mls h LEU 76 Ca -0.22 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1mls h LEU 76 Cb 1.99 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1mls h LEU 76 CO 0.24 0.68 0.00 0.11 0.09 0.00 0.00 178.44 179.55 1mls h LYS 77 N 0.54 0.00 0.00 1.13 1.57 -1.28 -1.73 116.57 116.80 1mls h LYS 77 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1mls h LYS 77 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1mls h LYS 77 CO 0.02 0.00 -0.02 0.87 -0.57 0.00 0.00 179.45 179.75 1mls h LYS 78 N 0.00 0.00 -5.88 3.15 1.79 -1.26 -3.48 116.57 110.89 1mls h LYS 78 Ca 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 1mls h LYS 78 Cb 0.39 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.16 1mls h LYS 78 CO 0.00 0.02 -0.69 1.63 -1.08 0.00 0.00 179.45 179.34 1mls n LYS 79 N -3.12 -7.78 0.00 3.15 5.02 -0.65 -1.61 118.16 113.17 1mls n LYS 79 Ca 0.01 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1mls n LYS 79 Cb 0.33 -5.86 0.00 0.00 -0.02 0.00 0.00 35.03 29.48 1mls n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mls n GLY 80 N -1.99 3.16 2.85 0.72 0.00 -1.26 -4.96 105.19 103.71 1mls n GLY 80 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1mls n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mls n HIS 81 N -1.46 2.67 0.00 1.61 8.25 -0.63 -4.62 115.22 121.04 1mls n HIS 81 Ca 0.00 -2.71 0.01 0.00 -0.26 0.00 0.00 57.72 54.76 1mls n HIS 81 Cb 0.00 -1.70 0.03 0.00 1.12 0.00 0.00 29.99 29.44 1mls n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mls n HIS 82 N 2.73 0.08 -0.31 4.41 1.44 -1.26 -4.73 115.22 117.58 1mls n HIS 82 Ca 0.38 -0.36 0.02 0.00 -2.01 0.00 0.00 57.72 55.75 1mls n HIS 82 Cb 0.34 -0.03 0.07 0.00 0.12 0.00 0.00 29.99 30.48 1mls n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1mls n GLU 83 N -0.14 -0.14 -0.17 -1.40 4.71 -1.26 -1.15 120.64 121.09 1mls n GLU 83 Ca 0.02 1.29 -0.10 0.00 -0.01 0.00 0.00 57.16 58.36 1mls n GLU 83 Cb 0.23 -1.92 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 1mls n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1mls h ALA 84 N 1.37 0.64 -0.19 0.62 0.00 -2.00 -2.55 119.26 117.14 1mls h ALA 84 Ca 0.34 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1mls h ALA 84 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1mls h ALA 84 CO -0.84 0.42 -0.07 0.93 0.00 0.00 0.00 179.25 179.68 1mls h GLU 85 N 0.68 0.29 0.00 0.00 3.07 -1.76 -3.21 114.58 113.65 1mls h GLU 85 Ca 0.14 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.85 1mls h GLU 85 Cb 0.47 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1mls h GLU 85 CO 0.02 0.38 -0.42 1.25 -1.40 0.00 0.00 179.01 178.84 1mls h LEU 86 N 0.28 0.00 0.70 1.33 5.85 -0.72 -3.36 115.31 119.39 1mls h LEU 86 Ca 0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1mls h LEU 86 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1mls h LEU 86 CO 0.01 0.42 -0.39 0.11 -0.34 0.00 0.00 178.44 178.26 1mls h LYS 87 N 0.00 -0.97 0.00 1.25 1.57 -1.51 0.37 116.57 117.28 1mls h LYS 87 Ca -0.00 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1mls h LYS 87 Cb 0.99 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1mls h LYS 87 CO 0.05 -0.65 -0.20 -1.00 -0.57 0.00 0.00 179.45 177.08 1mls h PRO 88 N -1.01 0.00 0.05 3.15 0.13 -1.77 -0.78 132.00 131.77 1mls h PRO 88 Ca -0.09 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.79 1mls h PRO 88 Cb 0.80 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.93 1mls h PRO 88 CO 0.12 0.20 -1.06 1.25 -0.23 0.00 0.00 178.00 178.29 1mls h LEU 89 N 0.00 0.54 -0.37 1.56 5.85 -1.63 -1.96 115.31 119.30 1mls h LEU 89 Ca -0.00 -0.47 -0.19 0.00 0.84 0.00 0.00 57.88 58.05 1mls h LEU 89 Cb 0.46 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1mls h LEU 89 CO 0.03 1.30 -0.75 0.00 -0.34 0.00 0.00 178.44 178.67 1mls h ALA 90 N 0.65 0.56 -0.31 1.25 0.00 -0.72 -1.34 119.26 119.35 1mls h ALA 90 Ca -0.11 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1mls h ALA 90 Cb 1.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1mls h ALA 90 CO 0.18 0.77 -0.33 0.37 0.00 0.00 0.00 179.25 180.24 1mls h GLN 91 N 0.28 0.68 0.12 0.00 4.15 -0.97 -0.68 115.11 118.69 1mls h GLN 91 Ca -0.04 -0.32 -0.27 0.00 0.77 0.00 0.00 58.65 58.79 1mls h GLN 91 Cb 1.34 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.03 1mls h GLN 91 CO 0.13 0.92 -1.22 0.66 -1.93 0.00 0.00 178.83 177.39 1mls h SER 92 N 0.57 0.50 0.84 -0.69 4.64 -1.27 -0.69 113.55 117.45 1mls h SER 92 Ca 0.06 -0.51 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 1mls h SER 92 Cb 0.84 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1mls h SER 92 CO 0.07 1.38 -0.68 0.45 -0.87 0.00 0.00 176.83 177.18 1mls h HIS 93 N 0.11 0.00 0.21 4.77 3.86 -1.19 0.06 115.15 122.97 1mls h HIS 93 Ca -0.14 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.73 1mls h HIS 93 Cb 1.92 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.41 1mls h HIS 93 CO 0.07 0.68 -1.65 0.00 0.86 0.00 0.00 177.93 177.89 1mls h ALA 94 N 1.32 0.04 0.05 2.45 0.00 -1.06 0.62 119.26 122.69 1mls h ALA 94 Ca -0.01 -1.04 -0.38 0.00 0.00 0.00 0.00 54.91 53.49 1mls h ALA 94 Cb 1.28 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1mls h ALA 94 CO 0.09 0.89 -2.28 2.41 0.00 0.00 0.00 179.25 180.36 1mls n THR 95 N -3.65 1.61 -0.08 0.00 -1.04 -0.27 -3.80 114.28 107.04 1mls n THR 95 Ca -0.22 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.05 61.09 1mls n THR 95 Cb 1.08 -1.56 -0.05 0.00 -1.82 0.00 0.00 70.33 67.98 1mls n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1mls h LYS 96 N 0.01 0.00 0.11 -2.82 3.64 -1.29 -3.42 116.57 112.80 1mls h LYS 96 Ca -0.52 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.59 1mls h LYS 96 Cb 1.95 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.78 1mls h LYS 96 CO -0.02 0.37 -1.19 0.45 -2.27 0.00 0.00 179.45 176.78 1mls h HIS 97 N -1.00 0.63 -4.28 1.91 3.86 -1.22 -3.49 115.15 111.56 1mls h HIS 97 Ca -0.12 -0.42 -0.09 0.00 -1.16 0.00 0.00 60.37 58.59 1mls h HIS 97 Cb 0.76 -0.04 0.07 0.00 1.06 0.00 0.00 27.41 29.25 1mls h HIS 97 CO -0.08 1.30 -0.30 1.63 0.86 0.00 0.00 177.93 181.34 1mls n LYS 98 N -3.63 -1.02 -3.59 2.45 4.01 -0.43 -5.00 118.16 110.95 1mls n LYS 98 Ca -0.09 0.66 -0.40 0.00 -0.51 0.00 0.00 58.31 57.97 1mls n LYS 98 Cb 0.98 -3.79 -0.11 0.00 -0.51 0.00 0.00 35.03 31.60 1mls n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mls s ILE 99 N -3.13 4.86 0.61 -0.18 -1.09 0.08 -5.02 121.20 117.33 1mls s ILE 99 Ca 0.16 -0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 57.94 1mls s ILE 99 Cb -0.02 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1mls s ILE 99 CO 0.39 -0.04 1.17 -2.16 -1.23 0.00 0.00 174.94 173.07 1mls s PRO 100 N 1.64 2.93 0.36 2.79 0.04 -1.26 -4.80 135.00 136.70 1mls s PRO 100 Ca 0.05 1.68 0.12 0.00 0.04 0.00 0.00 61.00 62.88 1mls s PRO 100 Cb -0.18 -1.94 0.90 0.00 0.04 0.00 0.00 34.50 33.33 1mls s PRO 100 CO 0.08 -1.21 1.83 0.82 0.04 0.00 0.00 177.00 178.56 1mls h ILE 101 N 0.65 0.72 -0.93 0.56 1.08 -1.82 0.90 117.51 118.67 1mls h ILE 101 Ca -0.49 -0.21 0.13 0.00 -0.39 0.00 0.00 64.86 63.90 1mls h ILE 101 Cb 1.28 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 1mls h ILE 101 CO 0.55 0.11 0.59 0.50 -0.69 0.00 0.00 178.15 179.21 1mls h LYS 102 N 0.60 0.78 -0.01 2.37 1.63 -1.91 -0.75 116.57 119.27 1mls h LYS 102 Ca 0.51 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 60.14 1mls h LYS 102 Cb 0.99 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1mls h LYS 102 CO -0.26 0.52 -0.55 1.88 -3.45 0.00 0.00 179.45 177.59 1mls h TYR 103 N 0.80 0.05 -0.06 1.91 -1.99 -1.17 -1.43 116.97 115.08 1mls h TYR 103 Ca 0.46 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 61.06 1mls h TYR 103 Cb 0.62 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 1mls h TYR 103 CO -0.00 0.58 -0.47 -0.07 -0.00 0.00 0.00 178.16 178.20 1mls h LEU 104 N 0.03 0.16 -0.35 3.88 3.38 -1.09 -1.43 115.31 119.89 1mls h LEU 104 Ca -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1mls h LEU 104 Cb 0.99 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1mls h LEU 104 CO 0.07 0.61 0.02 -0.33 0.09 0.00 0.00 178.44 178.91 1mls h GLU 105 N 0.12 0.60 -0.76 1.13 5.08 -0.65 -1.78 114.58 118.34 1mls h GLU 105 Ca 0.01 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1mls h GLU 105 Cb 0.88 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1mls h GLU 105 CO 0.07 0.70 0.48 0.74 -1.00 0.00 0.00 179.01 180.00 1mls h PHE 106 N 0.42 0.90 0.00 4.33 0.04 -1.09 -1.33 116.94 120.22 1mls h PHE 106 Ca 0.10 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1mls h PHE 106 Cb 0.42 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1mls h PHE 106 CO 0.03 0.51 -0.12 0.97 -0.60 0.00 0.00 178.31 179.10 1mls h ILE 107 N 0.93 0.26 -0.49 -0.55 2.10 -1.15 -1.94 117.51 116.66 1mls h ILE 107 Ca 0.30 -0.97 -0.10 0.00 1.08 0.00 0.00 64.86 65.17 1mls h ILE 107 Cb 0.02 1.78 -0.02 0.00 -1.09 0.00 0.00 36.82 37.52 1mls h ILE 107 CO -0.11 0.12 -0.08 0.28 -1.08 0.00 0.00 178.15 177.27 1mls h SER 108 N 0.00 0.92 -0.84 2.19 0.02 -0.53 0.95 113.55 116.26 1mls h SER 108 Ca -0.00 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1mls h SER 108 Cb 0.77 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 1mls h SER 108 CO 0.02 1.05 0.39 -0.08 -1.14 0.00 0.00 176.83 177.07 1mls h GLU 109 N 0.78 1.22 -0.34 3.45 4.81 -0.94 -1.75 114.58 121.81 1mls h GLU 109 Ca 0.13 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1mls h GLU 109 Cb 0.62 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1mls h GLU 109 CO 0.04 0.94 -0.30 0.00 -0.73 0.00 0.00 179.01 178.97 1mls h ALA 110 N 1.23 0.85 -0.38 2.92 0.00 -0.58 -1.13 119.26 122.16 1mls h ALA 110 Ca 0.29 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mls h ALA 110 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1mls h ALA 110 CO -0.03 0.64 0.05 0.82 0.00 0.00 0.00 179.25 180.73 1mls h ILE 111 N 0.61 1.24 -0.29 0.00 2.04 -0.52 -1.78 117.51 118.82 1mls h ILE 111 Ca 0.07 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1mls h ILE 111 Cb 0.81 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1mls h ILE 111 CO 0.07 0.29 -0.16 0.40 0.00 0.00 0.00 178.15 178.75 1mls h ILE 112 N 0.47 1.24 -0.18 -0.67 2.04 -1.17 -1.45 117.51 117.79 1mls h ILE 112 Ca 0.11 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1mls h ILE 112 Cb 0.37 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1mls h ILE 112 CO 0.01 0.36 -0.00 -0.74 0.00 0.00 0.00 178.15 177.77 1mls h HIS 113 N 0.46 0.34 -0.32 1.37 2.76 -0.99 -1.15 115.15 117.62 1mls h HIS 113 Ca 0.08 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1mls h HIS 113 Cb 0.55 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1mls h HIS 113 CO 0.02 0.52 0.09 0.28 -1.30 0.00 0.00 177.93 177.55 1mls h VAL 114 N 0.06 1.21 -0.76 5.26 2.07 -1.15 -0.85 116.25 122.09 1mls h VAL 114 Ca 0.05 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1mls h VAL 114 Cb 0.39 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1mls h VAL 114 CO 0.01 0.23 0.30 -0.07 0.02 0.00 0.00 177.57 178.07 1mls h LEU 115 N 0.37 1.03 -0.81 2.57 3.38 -1.21 -0.10 115.31 120.54 1mls h LEU 115 Ca 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1mls h LEU 115 Cb 0.27 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1mls h LEU 115 CO -0.00 0.91 0.48 -0.74 0.09 0.00 0.00 178.44 179.18 1mls h HIS 116 N 1.10 1.08 -0.38 1.13 2.76 -0.99 0.64 115.15 120.49 1mls h HIS 116 Ca 0.25 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.25 1mls h HIS 116 Cb 0.20 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 1mls h HIS 116 CO 0.02 0.73 -0.40 0.77 -1.30 0.00 0.00 177.93 177.75 1mls h SER 117 N 1.12 1.01 0.77 3.26 0.02 -0.69 -3.31 113.55 115.72 1mls h SER 117 Ca 0.29 -0.47 -0.20 0.00 -0.84 0.00 0.00 61.79 60.57 1mls h SER 117 Cb -0.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 1mls h SER 117 CO -0.05 1.27 -1.34 0.03 -1.14 0.00 0.00 176.83 175.60 1mls h ARG 118 N 0.76 0.00 -1.88 3.45 3.08 -0.91 -3.40 114.38 115.48 1mls h ARG 118 Ca 0.06 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.57 1mls h ARG 118 Cb 1.00 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.63 1mls h ARG 118 CO 0.10 0.44 -0.84 0.72 -1.07 0.00 0.00 179.97 179.32 1mls n HIS 119 N -3.02 2.81 -0.32 3.04 8.25 0.21 -4.94 115.22 121.24 1mls n HIS 119 Ca -0.09 -3.59 0.02 0.00 -0.26 0.00 0.00 57.72 53.80 1mls n HIS 119 Cb 0.90 -0.35 0.20 0.00 1.12 0.00 0.00 29.99 31.85 1mls n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mls h PRO 120 N 2.88 1.09 0.00 -0.41 0.13 -1.73 -0.51 132.00 133.45 1mls h PRO 120 Ca 0.14 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 1mls h PRO 120 Cb 0.78 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1mls h PRO 120 CO 0.73 0.72 -0.31 0.78 -0.23 0.00 0.00 178.00 179.69 1mls h GLY 121 N 1.12 0.00 -1.72 1.56 0.00 -1.92 -2.78 103.07 99.33 1mls h GLY 121 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1mls h GLY 121 CO -0.13 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.11 1mls n ASN 122 N -3.92 3.80 -2.73 0.19 3.02 -0.34 -4.61 115.26 110.66 1mls n ASN 122 Ca -0.02 -2.71 -0.10 0.00 -0.03 0.00 0.00 54.58 51.73 1mls n ASN 122 Cb 0.38 -0.47 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1mls n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mls n PHE 123 N -0.07 0.64 -0.42 3.10 7.35 -0.37 -4.64 117.46 123.06 1mls n PHE 123 Ca 0.19 -2.83 0.00 0.00 -0.76 0.00 0.00 57.45 54.05 1mls n PHE 123 Cb 0.79 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.44 1mls n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mls n GLY 124 N -0.06 -2.32 0.25 7.13 0.00 -1.25 -4.63 105.19 104.31 1mls n GLY 124 Ca 0.10 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 1mls n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mls h ALA 125 N -2.00 0.72 -0.47 4.61 0.00 -1.98 -0.30 119.26 119.84 1mls h ALA 125 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1mls h ALA 125 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1mls h ALA 125 CO 0.00 0.32 -0.16 -0.44 0.00 0.00 0.00 179.25 178.97 1mls h ASP 126 N 0.76 0.95 0.11 0.00 3.32 -1.99 -0.53 116.42 119.04 1mls h ASP 126 Ca 0.19 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.78 1mls h ASP 126 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1mls h ASP 126 CO -0.02 1.12 -0.27 0.00 -1.72 0.00 0.00 179.24 178.35 1mls h ALA 127 N 0.87 1.29 -0.04 3.45 0.00 -1.81 -0.45 119.26 122.57 1mls h ALA 127 Ca 0.11 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1mls h ALA 127 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1mls h ALA 127 CO 0.06 0.48 -0.80 0.37 0.00 0.00 0.00 179.25 179.36 1mls h GLN 128 N 0.23 0.34 -0.30 0.00 4.15 -0.81 -0.20 115.11 118.52 1mls h GLN 128 Ca 0.04 -0.31 -0.10 0.00 0.77 0.00 0.00 58.65 59.04 1mls h GLN 128 Cb 0.60 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1mls h GLN 128 CO 0.04 0.98 -0.24 0.78 -1.93 0.00 0.00 178.83 178.46 1mls h GLY 129 N 1.43 0.64 1.11 2.39 0.00 -0.64 0.80 103.07 108.80 1mls h GLY 129 Ca -0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 47.33 46.59 1mls h GLY 129 CO 0.13 0.49 -0.46 0.00 0.00 0.00 0.00 176.54 176.70 1mls h ALA 130 N 1.22 0.48 -0.65 3.60 0.00 -0.80 -0.63 119.26 122.48 1mls h ALA 130 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1mls h ALA 130 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1mls h ALA 130 CO 0.05 0.63 0.17 1.98 0.00 0.00 0.00 179.25 182.09 1mls h MET 131 N 0.65 1.03 -0.63 0.00 -1.53 -0.74 -0.53 114.93 113.19 1mls h MET 131 Ca 0.03 -0.24 -0.00 0.00 -3.44 0.00 0.00 59.70 56.05 1mls h MET 131 Cb 1.06 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.94 1mls h MET 131 CO 0.11 0.92 0.38 -0.97 0.14 0.00 0.00 176.91 177.49 1mls h ASN 132 N 0.96 0.75 -0.63 1.39 -1.24 -0.66 -0.47 115.58 115.67 1mls h ASN 132 Ca 0.21 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.19 1mls h ASN 132 Cb 0.34 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 1mls h ASN 132 CO -0.00 0.58 0.39 0.50 -1.29 0.00 0.00 177.43 177.61 1mls h LYS 133 N 0.85 0.75 -0.55 6.67 3.64 -0.80 0.94 116.57 128.06 1mls h LYS 133 Ca 0.23 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1mls h LYS 133 Cb -0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1mls h LYS 133 CO -0.04 0.49 0.10 0.00 -2.27 0.00 0.00 179.45 177.73 1mls h ALA 134 N 1.27 1.14 0.01 5.00 0.00 -0.59 0.43 119.26 126.51 1mls h ALA 134 Ca 0.25 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1mls h ALA 134 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1mls h ALA 134 CO -0.10 0.57 -0.89 -0.07 0.00 0.00 0.00 179.25 178.76 1mls h LEU 135 N 0.83 0.23 -0.74 0.00 3.38 -0.82 -1.12 115.31 117.07 1mls h LEU 135 Ca 0.18 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1mls h LEU 135 Cb 0.35 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1mls h LEU 135 CO 0.00 1.01 0.11 -0.33 0.09 0.00 0.00 178.44 179.32 1mls h GLU 136 N 0.09 1.07 0.19 1.13 5.08 -0.55 -0.31 114.58 121.28 1mls h GLU 136 Ca -0.04 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1mls h GLU 136 Cb 1.53 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1mls h GLU 136 CO 0.13 0.98 -0.09 1.25 -1.00 0.00 0.00 179.01 180.28 1mls h LEU 137 N 1.00 -0.22 -0.65 1.33 5.85 -0.69 0.09 115.31 122.03 1mls h LEU 137 Ca 0.20 -0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1mls h LEU 137 Cb 0.42 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 1mls h LEU 137 CO 0.01 -0.10 -0.03 0.15 -0.34 0.00 0.00 178.44 178.13 1mls h PHE 138 N -0.32 -0.10 -0.51 1.25 3.57 -1.03 -1.18 116.94 118.62 1mls h PHE 138 Ca -0.03 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1mls h PHE 138 Cb 0.25 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1mls h PHE 138 CO -0.05 -0.20 0.09 0.00 -2.23 0.00 0.00 178.31 175.92 1mls h ARG 139 N 0.09 0.85 -0.56 1.11 3.08 -0.72 0.12 114.38 118.36 1mls h ARG 139 Ca 0.34 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1mls h ARG 139 Cb 0.55 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1mls h ARG 139 CO -0.58 0.83 0.26 -0.22 -1.07 0.00 0.00 179.97 179.20 1mls h LYS 140 N 0.73 0.82 -0.34 0.04 3.64 -0.74 0.19 116.57 120.90 1mls h LYS 140 Ca 0.16 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 1mls h LYS 140 Cb 0.39 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1mls h LYS 140 CO 0.01 0.68 -0.45 -0.44 -2.27 0.00 0.00 179.45 176.98 1mls h ASP 141 N 0.76 0.96 -0.67 4.20 5.19 -1.00 -1.69 116.42 124.17 1mls h ASP 141 Ca 0.19 -0.47 -0.08 0.00 -0.62 0.00 0.00 57.03 56.05 1mls h ASP 141 Cb 0.14 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1mls h ASP 141 CO -0.02 1.26 0.10 0.40 -3.12 0.00 0.00 179.24 177.86 1mls h ILE 142 N 0.71 1.27 -0.46 0.35 1.08 -0.86 -1.77 117.51 117.82 1mls h ILE 142 Ca 0.04 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1mls h ILE 142 Cb 1.04 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1mls h ILE 142 CO 0.10 0.40 0.22 0.00 -0.69 0.00 0.00 178.15 178.18 1mls h ALA 143 N 1.05 1.51 -0.30 1.87 0.00 -0.34 0.57 119.26 123.62 1mls h ALA 143 Ca 0.20 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1mls h ALA 143 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1mls h ALA 143 CO 0.01 0.39 -0.41 0.00 0.00 0.00 0.00 179.25 179.24 1mls h ALA 144 N 1.59 0.70 -0.23 0.00 0.00 -1.04 -2.27 119.26 118.01 1mls h ALA 144 Ca 0.16 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1mls h ALA 144 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1mls h ALA 144 CO -0.02 0.67 -0.46 0.87 0.00 0.00 0.00 179.25 180.30 1mls h LYS 145 N 0.60 0.59 -0.99 0.00 6.56 -0.71 -2.54 116.57 120.08 1mls h LYS 145 Ca 0.05 -0.33 0.07 0.00 -1.06 0.00 0.00 60.65 59.37 1mls h LYS 145 Cb 0.97 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.58 1mls h LYS 145 CO 0.09 0.93 0.64 1.88 -2.06 0.00 0.00 179.45 180.94 1mls h TYR 146 N 0.47 1.18 -0.36 -1.35 -1.99 -0.63 0.17 116.97 114.47 1mls h TYR 146 Ca 0.03 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1mls h TYR 146 Cb 0.99 -0.39 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 1mls h TYR 146 CO 0.04 0.60 0.14 -0.22 -0.00 0.00 0.00 178.16 178.72 1mls h LYS 147 N 1.15 0.54 -0.25 4.88 3.64 -1.05 -0.44 116.57 125.05 1mls h LYS 147 Ca 0.43 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1mls h LYS 147 Cb 0.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1mls h LYS 147 CO -0.18 0.53 -0.02 0.93 -2.27 0.00 0.00 179.45 178.45 1mls h GLU 148 N 0.43 0.37 0.00 1.90 5.08 -0.97 -1.22 114.58 120.17 1mls h GLU 148 Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1mls h GLU 148 Cb 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1mls h GLU 148 CO -0.01 0.42 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 1mls n LEU 149 N -4.32 0.82 0.00 1.33 4.77 -0.02 -4.93 117.00 114.65 1mls n LEU 149 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1mls n LEU 149 Cb 0.22 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1mls n LEU 149 CO 0.38 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1mls n GLY 150 N 1.28 1.02 0.52 -0.72 0.00 -0.29 -4.98 105.19 102.03 1mls n GLY 150 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1mls n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mls n TYR 151 N -1.93 0.00 -3.68 1.61 9.36 -0.53 -5.02 117.16 116.97 1mls n TYR 151 Ca 0.00 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.00 1mls n TYR 151 Cb 0.00 -0.44 0.01 0.00 -0.63 0.00 0.00 39.34 38.28 1mls n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1mls n GLN 152 N -3.42 -0.68 0.00 2.98 -0.06 -1.09 -4.89 117.38 110.22 1mls n GLN 152 Ca -0.23 0.02 0.04 0.00 -2.00 0.00 0.00 57.00 54.82 1mls n GLN 152 Cb 0.68 -1.03 0.03 0.00 -4.06 0.00 0.00 30.24 25.86 1mls n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27