#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myi s LEU 2 N 0.00 3.66 0.94 0.99 1.02 -1.26 -5.09 118.68 118.94 1myi s LEU 2 Ca 0.00 0.04 -0.13 0.00 0.02 0.00 0.00 54.13 54.06 1myi s LEU 2 Cb 0.00 -2.13 0.16 0.00 0.02 0.00 0.00 46.19 44.24 1myi s LEU 2 CO 0.00 0.27 1.16 -0.94 0.02 0.00 0.00 176.35 176.86 1myi s SER 3 N -1.68 3.25 0.29 2.29 1.04 -1.26 -4.83 113.70 112.81 1myi s SER 3 Ca 0.21 0.83 -0.02 0.00 0.48 0.00 0.00 55.95 57.46 1myi s SER 3 Cb -0.12 -1.30 0.45 0.00 0.10 0.00 0.00 66.02 65.16 1myi s SER 3 CO 0.12 -2.70 1.94 0.44 0.98 0.00 0.00 173.24 174.03 1myi h ASP 4 N -1.60 0.96 -0.63 7.02 3.32 -1.99 -1.65 116.42 121.84 1myi h ASP 4 Ca -0.49 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 1myi h ASP 4 Cb 1.32 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1myi h ASP 4 CO 0.56 0.67 0.08 1.23 -1.72 0.00 0.00 179.24 180.07 1myi h GLY 5 N 1.12 1.14 0.86 2.75 0.00 -2.00 -2.23 103.07 104.71 1myi h GLY 5 Ca 0.34 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1myi h GLY 5 CO -0.10 0.72 -0.12 0.83 0.00 0.00 0.00 176.54 177.87 1myi h GLU 6 N 0.97 0.52 -0.99 4.80 5.08 -1.79 -2.71 114.58 120.47 1myi h GLU 6 Ca 0.19 -0.23 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1myi h GLU 6 Cb 0.46 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1myi h GLU 6 CO 0.02 0.79 0.63 -1.49 -1.00 0.00 0.00 179.01 177.95 1myi h TRP 7 N 0.25 1.15 -0.04 4.33 4.06 -1.23 -1.77 115.95 122.70 1myi h TRP 7 Ca 0.06 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 1myi h TRP 7 Cb 0.63 -0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1myi h TRP 7 CO 0.06 0.51 0.02 1.96 -3.56 0.00 0.00 178.44 177.44 1myi h GLN 8 N 1.06 0.05 -0.82 0.49 1.08 -1.24 -0.61 115.11 115.11 1myi h GLN 8 Ca 0.47 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.69 1myi h GLN 8 Cb 0.35 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 1myi h GLN 8 CO -0.23 0.11 0.53 -0.07 -0.95 0.00 0.00 178.83 178.22 1myi h LEU 9 N -0.01 0.88 0.07 1.46 3.38 -1.08 0.06 115.31 120.06 1myi h LEU 9 Ca 0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1myi h LEU 9 Cb 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1myi h LEU 9 CO -0.00 0.61 -0.24 0.58 0.09 0.00 0.00 178.44 179.47 1myi h VAL 10 N 1.03 0.46 -0.65 1.22 2.07 -1.04 -1.85 116.25 117.49 1myi h VAL 10 Ca 0.33 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 1myi h VAL 10 Cb 0.00 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1myi h VAL 10 CO -0.11 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.81 1myi h LEU 11 N -0.41 0.77 -0.36 2.57 3.38 -0.91 -1.00 115.31 119.34 1myi h LEU 11 Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1myi h LEU 11 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1myi h LEU 11 CO -0.17 0.59 0.15 -1.13 0.09 0.00 0.00 178.44 177.97 1myi h ASN 12 N 0.88 0.49 -0.77 -0.43 -0.73 -0.86 -1.99 115.58 112.17 1myi h ASN 12 Ca 0.23 -0.16 -0.05 0.00 1.87 0.00 0.00 56.30 58.19 1myi h ASN 12 Cb -0.05 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.38 1myi h ASN 12 CO -0.05 0.51 0.26 0.58 -0.37 0.00 0.00 177.43 178.37 1myi h VAL 13 N 0.44 1.26 -0.54 2.57 2.07 -1.03 -2.96 116.25 118.06 1myi h VAL 13 Ca 0.12 -0.88 0.09 0.00 0.82 0.00 0.00 66.70 66.84 1myi h VAL 13 Cb 0.17 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1myi h VAL 13 CO -0.01 0.35 0.37 -0.25 0.02 0.00 0.00 177.57 178.05 1myi h TRP 14 N 1.13 0.39 -0.98 1.57 2.91 -1.05 -2.22 115.95 117.70 1myi h TRP 14 Ca 0.25 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.44 1myi h TRP 14 Cb 0.28 -0.13 -0.10 0.00 -0.51 0.00 0.00 29.16 28.70 1myi h TRP 14 CO 0.02 0.19 0.59 0.78 -1.03 0.00 0.00 178.44 179.00 1myi h GLY 15 N 0.38 1.68 0.93 2.65 0.00 -1.18 0.10 103.07 107.63 1myi h GLY 15 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1myi h GLY 15 CO -0.06 0.02 0.12 0.50 0.00 0.00 0.00 176.54 177.12 1myi h LYS 16 N 0.83 0.58 -0.56 4.80 1.79 -1.54 -2.83 116.57 119.64 1myi h LYS 16 Ca 0.53 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.87 1myi h LYS 16 Cb 0.72 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1myi h LYS 16 CO -0.34 0.58 0.28 0.28 -1.08 0.00 0.00 179.45 179.18 1myi h VAL 17 N 0.46 1.20 0.00 0.50 2.07 -1.27 -2.96 116.25 116.24 1myi h VAL 17 Ca 0.12 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1myi h VAL 17 Cb 0.24 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1myi h VAL 17 CO -0.01 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.47 1myi h GLU 18 N 0.75 0.00 0.00 1.57 5.08 -0.78 0.13 114.58 121.33 1myi h GLU 18 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1myi h GLU 18 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1myi h GLU 18 CO -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 1myi n ALA 19 N -2.00 2.29 -2.73 3.43 0.00 -1.10 -4.31 120.51 116.09 1myi n ALA 19 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1myi n ALA 19 Cb 0.16 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.24 1myi n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1myi n ASP 20 N -1.39 -2.45 0.06 0.00 2.03 -0.05 -5.06 116.55 109.69 1myi n ASP 20 Ca 0.10 -3.14 -0.13 0.00 0.52 0.00 0.00 54.79 52.14 1myi n ASP 20 Cb 0.26 1.69 -0.08 0.00 -0.72 0.00 0.00 41.12 42.27 1myi n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myi h VAL 21 N 2.64 1.04 -0.30 5.18 2.07 -1.52 -2.66 116.25 122.70 1myi h VAL 21 Ca -0.16 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1myi h VAL 21 Cb 1.08 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1myi h VAL 21 CO 0.19 0.09 -0.16 0.00 0.02 0.00 0.00 177.57 177.72 1myi h ALA 22 N 0.65 1.18 -0.31 1.67 0.00 -1.89 -0.07 119.26 120.49 1myi h ALA 22 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1myi h ALA 22 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1myi h ALA 22 CO 0.02 0.52 0.16 0.78 0.00 0.00 0.00 179.25 180.73 1myi h GLY 23 N 0.96 0.46 0.97 0.00 0.00 -1.91 -1.66 103.07 101.90 1myi h GLY 23 Ca 0.08 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1myi h GLY 23 CO 0.04 0.21 -0.11 0.45 0.00 0.00 0.00 176.54 177.13 1myi h HIS 24 N 0.37 0.85 -0.19 5.60 3.86 -1.29 -3.08 115.15 121.26 1myi h HIS 24 Ca 0.11 -0.19 0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1myi h HIS 24 Cb 0.09 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 1myi h HIS 24 CO -0.02 0.90 -0.04 0.78 0.86 0.00 0.00 177.93 180.40 1myi h GLY 25 N 0.56 0.15 0.83 2.45 0.00 -0.90 -1.52 103.07 104.63 1myi h GLY 25 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.49 1myi h GLY 25 CO 0.04 -0.07 -0.10 -1.61 0.00 0.00 0.00 176.54 174.81 1myi h GLN 26 N 0.01 -0.19 -0.92 4.80 4.15 -1.38 -2.37 115.11 119.21 1myi h GLN 26 Ca 0.09 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.56 1myi h GLN 26 Cb 0.14 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 1myi h GLN 26 CO -0.19 -0.13 0.61 0.93 -1.93 0.00 0.00 178.83 178.12 1myi h GLU 27 N -0.20 1.11 -0.25 1.69 4.39 -1.44 -1.29 114.58 118.60 1myi h GLU 27 Ca 0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1myi h GLU 27 Cb 0.21 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1myi h GLU 27 CO -0.06 0.74 0.12 0.28 -1.16 0.00 0.00 179.01 178.93 1myi h VAL 28 N 1.15 1.14 -0.64 3.13 2.07 -1.12 -1.98 116.25 120.01 1myi h VAL 28 Ca 0.37 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1myi h VAL 28 Cb 0.04 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1myi h VAL 28 CO -0.12 0.14 0.21 -0.07 0.02 0.00 0.00 177.57 177.75 1myi h LEU 29 N 0.27 0.92 -0.78 2.57 3.38 -1.23 -1.02 115.31 119.42 1myi h LEU 29 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1myi h LEU 29 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1myi h LEU 29 CO -0.01 0.88 0.46 0.40 0.09 0.00 0.00 178.44 180.26 1myi h ILE 30 N 0.91 1.22 -0.52 1.22 2.04 -1.14 0.73 117.51 121.98 1myi h ILE 30 Ca 0.21 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1myi h ILE 30 Cb 0.28 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1myi h ILE 30 CO -0.01 0.24 0.24 0.03 0.00 0.00 0.00 178.15 178.65 1myi h ARG 31 N 1.07 0.75 0.31 2.37 3.08 -1.17 -1.89 114.38 118.90 1myi h ARG 31 Ca 0.28 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1myi h ARG 31 Cb -0.02 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1myi h ARG 31 CO -0.05 0.63 -0.16 1.25 -1.07 0.00 0.00 179.97 180.58 1myi h LEU 32 N 0.69 -0.38 -1.03 3.04 5.85 -0.85 0.17 115.31 122.80 1myi h LEU 32 Ca 0.18 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1myi h LEU 32 Cb 0.14 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1myi h LEU 32 CO -0.02 -0.26 0.35 -0.26 -0.34 0.00 0.00 178.44 177.90 1myi h PHE 33 N -0.43 1.03 0.22 1.25 0.04 -0.75 -0.23 116.94 118.08 1myi h PHE 33 Ca -0.04 -0.04 -0.32 0.00 2.80 0.00 0.00 57.97 60.36 1myi h PHE 33 Cb 0.34 -0.32 0.03 0.00 2.20 0.00 0.00 35.95 38.19 1myi h PHE 33 CO -0.06 0.75 -1.45 0.87 -0.60 0.00 0.00 178.31 177.82 1myi h LYS 34 N 1.03 0.47 0.00 1.51 1.57 -1.40 -2.96 116.57 116.79 1myi h LYS 34 Ca 0.25 -0.80 -0.14 0.00 -1.87 0.00 0.00 60.65 58.09 1myi h LYS 34 Cb 0.11 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1myi h LYS 34 CO -0.03 1.38 -0.84 0.78 -0.57 0.00 0.00 179.45 180.17 1myi h GLY 35 N 0.57 0.00 -5.89 3.86 0.00 -0.34 -3.42 103.07 97.86 1myi h GLY 35 Ca -0.24 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.65 1myi h GLY 35 CO 0.25 0.00 -0.83 1.42 0.00 0.00 0.00 176.54 177.38 1myi n HIS 36 N -3.17 -1.85 0.14 5.60 8.25 -0.12 -5.02 115.22 119.04 1myi n HIS 36 Ca -0.02 -2.69 0.17 0.00 -0.26 0.00 0.00 57.72 54.92 1myi n HIS 36 Cb 0.81 0.63 0.75 0.00 1.12 0.00 0.00 29.99 33.30 1myi n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myi h PRO 37 N 5.27 0.00 0.00 -0.41 0.11 -1.71 0.46 132.00 135.72 1myi h PRO 37 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1myi h PRO 37 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1myi h PRO 37 CO 0.27 0.00 -0.13 1.05 -0.21 0.00 0.00 178.00 178.98 1myi h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -0.52 114.58 122.28 1myi h GLU 38 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1myi h GLU 38 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1myi h GLU 38 CO -0.00 0.13 0.00 1.79 0.05 0.00 0.00 179.01 180.97 1myi h THR 39 N 0.00 0.00 -0.44 -1.06 1.35 -0.41 -3.06 112.91 109.29 1myi h THR 39 Ca -0.00 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 65.21 1myi h THR 39 Cb 0.25 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1myi h THR 39 CO 0.02 0.00 0.16 0.25 -0.25 0.00 0.00 175.52 175.69 1myi h LEU 40 N 0.00 0.58 -1.87 3.87 5.85 -1.21 -2.72 115.31 119.81 1myi h LEU 40 Ca 0.00 -0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.84 1myi h LEU 40 Cb 0.64 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1myi h LEU 40 CO 0.00 0.54 0.50 1.05 -0.34 0.00 0.00 178.44 180.19 1myi h GLU 41 N 0.63 0.12 0.00 1.25 -0.00 -1.65 -0.79 114.58 114.14 1myi h GLU 41 Ca 0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 1myi h GLU 41 Cb 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.88 1myi h GLU 41 CO -0.01 0.08 0.00 1.63 -0.00 0.00 0.00 179.01 180.71 1myi n LYS 42 N -4.38 0.01 -3.78 1.06 5.02 -1.03 -4.57 118.16 110.49 1myi n LYS 42 Ca 0.14 0.18 -0.37 0.00 -2.02 0.00 0.00 58.31 56.24 1myi n LYS 42 Cb 0.70 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 34.09 1myi n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1myi s PHE 43 N -2.99 3.32 0.11 2.13 0.40 -0.30 -4.95 117.98 115.70 1myi s PHE 43 Ca 0.09 -1.72 -0.26 0.00 -0.60 0.00 0.00 56.93 54.45 1myi s PHE 43 Cb 0.12 -2.45 -0.09 0.00 0.51 0.00 0.00 43.02 41.11 1myi s PHE 43 CO 0.33 -0.80 1.66 -0.44 0.70 0.00 0.00 175.22 176.68 1myi h ASP 44 N 8.15 -0.52 -0.45 1.36 3.32 -1.84 -0.74 116.42 125.69 1myi h ASP 44 Ca -0.21 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.03 1myi h ASP 44 Cb 1.07 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1myi h ASP 44 CO 0.61 -0.27 0.70 0.77 -1.72 0.00 0.00 179.24 179.34 1myi h SER 45 N -0.36 0.00 0.00 6.45 4.64 -1.95 -2.69 113.55 119.64 1myi h SER 45 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1myi h SER 45 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1myi h SER 45 CO -0.11 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.34 1myi n PHE 46 N -3.27 0.00 0.32 4.77 3.72 -0.39 -4.81 117.46 117.80 1myi n PHE 46 Ca 0.09 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.58 1myi n PHE 46 Cb 0.87 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.82 1myi n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1myi n LYS 47 N -0.14 0.12 0.12 -1.08 2.85 -0.57 -1.87 118.16 117.59 1myi n LYS 47 Ca 0.00 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.83 1myi n LYS 47 Cb 0.03 -1.76 0.41 0.00 -0.65 0.00 0.00 35.03 33.06 1myi n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1myi h HIS 48 N 0.00 0.00 -3.16 5.58 2.07 -1.87 -3.45 115.15 114.32 1myi h HIS 48 Ca 0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 1myi h HIS 48 Cb 0.22 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.13 1myi h HIS 48 CO 0.00 0.00 0.68 -0.51 -3.07 0.00 0.00 177.93 175.03 1myi s LEU 49 N -4.64 4.11 -0.00 6.12 1.43 -0.78 -4.93 118.68 119.99 1myi s LEU 49 Ca 0.10 1.30 0.21 0.00 -1.03 0.00 0.00 54.13 54.70 1myi s LEU 49 Cb 0.11 -3.44 -0.24 0.00 0.03 0.00 0.00 46.19 42.65 1myi s LEU 49 CO 0.57 -0.60 0.82 0.29 0.23 0.00 0.00 176.35 177.66 1myi n LYS 50 N 6.06 0.26 -3.72 1.70 4.76 -1.26 -4.98 118.16 120.98 1myi n LYS 50 Ca 0.10 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.41 1myi n LYS 50 Cb 0.47 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 1myi n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1myi s SER 51 N -3.15 -0.27 0.29 4.39 1.04 -1.26 -5.01 113.70 109.73 1myi s SER 51 Ca 0.06 -0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 1myi s SER 51 Cb 0.15 0.57 0.50 0.00 0.10 0.00 0.00 66.02 67.34 1myi s SER 51 CO 0.85 -1.03 1.89 -0.08 0.98 0.00 0.00 173.24 175.85 1myi h GLU 52 N 2.20 1.04 -0.84 4.02 4.81 -1.99 0.21 114.58 124.03 1myi h GLU 52 Ca -0.29 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1myi h GLU 52 Cb 1.26 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 1myi h GLU 52 CO 0.38 0.69 0.44 -0.44 -0.73 0.00 0.00 179.01 179.36 1myi h ASP 53 N 1.07 1.07 -0.33 1.04 5.19 -1.98 0.47 116.42 122.95 1myi h ASP 53 Ca 0.42 -0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.64 1myi h ASP 53 Cb 0.24 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1myi h ASP 53 CO -0.17 0.88 -0.09 -0.33 -3.12 0.00 0.00 179.24 176.40 1myi h GLU 54 N 1.19 0.64 -0.64 3.56 5.08 -1.65 -2.65 114.58 120.11 1myi h GLU 54 Ca 0.30 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1myi h GLU 54 Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1myi h GLU 54 CO -0.04 0.82 0.24 0.52 -1.00 0.00 0.00 179.01 179.55 1myi h MET 55 N 0.42 0.97 0.00 2.33 2.86 -0.54 -2.81 114.93 118.16 1myi h MET 55 Ca 0.08 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1myi h MET 55 Cb 0.59 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1myi h MET 55 CO 0.03 0.82 -0.24 0.87 1.06 0.00 0.00 176.91 179.46 1myi h LYS 56 N 0.90 0.00 0.00 1.72 1.57 -0.03 -2.97 116.57 117.77 1myi h LYS 56 Ca 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1myi h LYS 56 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1myi h LYS 56 CO -0.01 0.24 -0.06 0.00 -0.57 0.00 0.00 179.45 179.04 1myi h ALA 57 N 1.76 0.97 -2.04 3.86 0.00 -1.22 -3.46 119.26 119.13 1myi h ALA 57 Ca -0.00 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 1myi h ALA 57 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1myi h ALA 57 CO 0.03 0.07 1.24 0.45 0.00 0.00 0.00 179.25 181.05 1myi s SER 58 N -6.14 6.11 0.09 0.00 0.15 -1.12 -4.91 113.70 107.87 1myi s SER 58 Ca 0.05 1.77 -0.14 0.00 0.70 0.00 0.00 55.95 58.33 1myi s SER 58 Cb 0.06 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.70 1myi s SER 58 CO 0.65 -1.46 1.31 -0.08 1.20 0.00 0.00 173.24 174.86 1myi h GLU 59 N 11.99 0.72 -0.03 5.44 4.81 -1.90 -2.92 114.58 132.69 1myi h GLU 59 Ca -0.37 -0.54 -0.09 0.00 -0.13 0.00 0.00 59.36 58.22 1myi h GLU 59 Cb 1.19 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1myi h GLU 59 CO 0.99 1.16 -0.42 -0.44 -0.73 0.00 0.00 179.01 179.57 1myi h ASP 60 N 0.42 0.06 -0.48 1.04 5.19 -1.97 -2.24 116.42 118.44 1myi h ASP 60 Ca -0.03 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1myi h ASP 60 Cb 1.24 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1myi h ASP 60 CO 0.13 0.47 0.17 0.25 -3.12 0.00 0.00 179.24 177.14 1myi h LEU 61 N 0.05 0.68 -0.48 1.55 6.46 -1.89 -1.33 115.31 120.35 1myi h LEU 61 Ca 0.00 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1myi h LEU 61 Cb 0.76 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 1myi h LEU 61 CO 0.06 0.69 0.14 0.50 -0.62 0.00 0.00 178.44 179.20 1myi h LYS 62 N 0.63 0.75 -0.50 1.25 3.64 -1.22 -1.15 116.57 119.97 1myi h LYS 62 Ca 0.16 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1myi h LYS 62 Cb 0.24 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1myi h LYS 62 CO -0.01 0.72 0.15 0.87 -2.27 0.00 0.00 179.45 178.91 1myi h LYS 63 N 0.64 0.78 -0.50 1.90 1.57 -1.37 -1.83 116.57 117.76 1myi h LYS 63 Ca 0.15 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1myi h LYS 63 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1myi h LYS 63 CO -0.00 0.73 0.07 1.25 -0.57 0.00 0.00 179.45 180.93 1myi h HIS 64 N 0.68 0.90 -0.36 -1.35 2.76 -1.00 -2.34 115.15 114.43 1myi h HIS 64 Ca 0.16 -0.13 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1myi h HIS 64 Cb 0.28 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.94 1myi h HIS 64 CO 0.02 0.82 0.07 0.78 -1.30 0.00 0.00 177.93 178.31 1myi h GLY 65 N 0.71 0.41 0.86 5.26 0.00 -0.90 -1.85 103.07 107.57 1myi h GLY 65 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.49 1myi h GLY 65 CO 0.01 -0.03 0.40 -0.57 0.00 0.00 0.00 176.54 176.35 1myi h ASN 66 N 0.19 0.65 -0.47 0.19 -0.73 -1.04 -2.34 115.58 112.03 1myi h ASN 66 Ca 0.17 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 1myi h ASN 66 Cb 0.20 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 1myi h ASN 66 CO -0.23 0.45 0.21 0.74 -0.37 0.00 0.00 177.43 178.23 1myi h THR 67 N 0.78 1.20 0.22 -3.57 2.02 -0.97 0.11 112.91 112.70 1myi h THR 67 Ca 0.26 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1myi h THR 67 Cb 0.03 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1myi h THR 67 CO -0.11 0.22 -0.11 0.58 0.37 0.00 0.00 175.52 176.47 1myi h VAL 68 N 0.61 0.84 -0.01 3.16 2.07 -1.23 -2.08 116.25 119.62 1myi h VAL 68 Ca 0.16 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1myi h VAL 68 Cb 0.15 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1myi h VAL 68 CO -0.02 0.08 -0.59 -0.07 0.02 0.00 0.00 177.57 176.99 1myi h LEU 69 N -0.48 0.02 -0.10 2.57 3.38 -1.36 -1.85 115.31 117.50 1myi h LEU 69 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1myi h LEU 69 Cb 0.36 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1myi h LEU 69 CO 0.05 0.61 0.01 0.74 0.09 0.00 0.00 178.44 179.94 1myi h THR 70 N 0.02 1.22 -0.45 0.22 2.02 -0.73 -0.47 112.91 114.74 1myi h THR 70 Ca -0.01 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 66.50 1myi h THR 70 Cb 1.05 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1myi h THR 70 CO 0.08 0.20 0.24 0.00 0.37 0.00 0.00 175.52 176.41 1myi h ALA 71 N 0.77 0.57 -0.41 6.16 0.00 -1.27 -2.51 119.26 122.57 1myi h ALA 71 Ca 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1myi h ALA 71 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1myi h ALA 71 CO 0.00 -0.10 -0.19 1.25 0.00 0.00 0.00 179.25 180.21 1myi h LEU 72 N 0.48 0.89 -1.09 0.00 5.85 -1.23 -2.99 115.31 117.22 1myi h LEU 72 Ca 0.19 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1myi h LEU 72 Cb 0.06 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1myi h LEU 72 CO -0.11 1.09 0.62 1.23 -0.34 0.00 0.00 178.44 180.92 1myi h GLY 73 N 0.68 1.37 1.26 3.75 0.00 -0.95 -1.31 103.07 107.87 1myi h GLY 73 Ca 0.09 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1myi h GLY 73 CO 0.06 0.38 0.12 -1.33 0.00 0.00 0.00 176.54 175.77 1myi h GLY 74 N 1.16 0.99 0.81 4.60 0.00 -1.31 -1.88 103.07 107.44 1myi h GLY 74 Ca 0.38 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1myi h GLY 74 CO -0.12 0.56 -0.21 -2.22 0.00 0.00 0.00 176.54 174.55 1myi h ILE 75 N 0.88 1.34 -0.83 2.60 2.04 -1.18 -3.28 117.51 119.07 1myi h ILE 75 Ca 0.19 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1myi h ILE 75 Cb 0.35 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1myi h ILE 75 CO 0.00 0.42 0.54 -0.07 0.00 0.00 0.00 178.15 179.05 1myi h LEU 76 N 0.11 0.93 -1.94 1.44 3.38 -1.15 -1.57 115.31 116.51 1myi h LEU 76 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1myi h LEU 76 Cb 0.76 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1myi h LEU 76 CO 0.05 0.66 0.00 0.11 0.09 0.00 0.00 178.44 179.35 1myi h LYS 77 N 1.10 0.00 -0.02 1.13 1.57 -1.40 -0.40 116.57 118.54 1myi h LYS 77 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1myi h LYS 77 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1myi h LYS 77 CO -0.08 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.43 1myi n LYS 78 N -2.95 1.20 -4.12 3.15 4.76 -0.59 -4.95 118.16 114.66 1myi n LYS 78 Ca -0.01 -0.30 -0.30 0.00 -2.87 0.00 0.00 58.31 54.84 1myi n LYS 78 Cb 0.20 -1.44 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 1myi n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myi n LYS 79 N -0.59 -2.67 0.00 1.97 5.02 -0.16 -1.19 118.16 120.54 1myi n LYS 79 Ca 0.20 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1myi n LYS 79 Cb 0.17 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 1myi n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myi n GLY 80 N -1.94 2.76 2.53 0.72 0.00 -1.26 -4.92 105.19 103.08 1myi n GLY 80 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1myi n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myi n HIS 81 N -0.50 2.25 -0.61 1.61 8.25 -0.33 -4.64 115.22 121.25 1myi n HIS 81 Ca 0.00 -2.41 0.07 0.00 -0.26 0.00 0.00 57.72 55.11 1myi n HIS 81 Cb 0.00 -1.55 0.17 0.00 1.12 0.00 0.00 29.99 29.74 1myi n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myi n HIS 82 N 1.05 0.51 -0.25 4.41 1.44 -1.26 -4.77 115.22 116.35 1myi n HIS 82 Ca 0.55 -0.73 0.05 0.00 -2.01 0.00 0.00 57.72 55.58 1myi n HIS 82 Cb 0.37 -0.16 0.16 0.00 0.12 0.00 0.00 29.99 30.47 1myi n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1myi h GLU 83 N 1.34 0.12 -0.36 -1.40 3.07 -1.99 -1.69 114.58 113.67 1myi h GLU 83 Ca 0.00 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1myi h GLU 83 Cb 1.02 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1myi h GLU 83 CO 0.09 0.08 0.22 0.00 -1.40 0.00 0.00 179.01 177.99 1myi h ALA 84 N 1.69 0.45 -0.75 3.43 0.00 -2.01 -1.35 119.26 120.72 1myi h ALA 84 Ca 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1myi h ALA 84 Cb 0.72 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1myi h ALA 84 CO -0.64 -0.12 0.24 0.93 0.00 0.00 0.00 179.25 179.66 1myi h GLU 85 N 0.45 1.17 0.00 0.00 3.07 -1.86 -3.17 114.58 114.23 1myi h GLU 85 Ca 0.14 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1myi h GLU 85 Cb -0.01 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1myi h GLU 85 CO -0.06 0.98 -0.26 1.25 -1.40 0.00 0.00 179.01 179.53 1myi h LEU 86 N 1.12 0.00 0.05 1.33 6.46 -1.01 -3.37 115.31 119.89 1myi h LEU 86 Ca 0.24 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1myi h LEU 86 Cb 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1myi h LEU 86 CO -0.01 0.01 -0.02 0.74 -0.62 0.00 0.00 178.44 178.54 1myi h THR 87 N 0.00 1.06 -0.92 1.05 2.02 -1.22 0.33 112.91 115.22 1myi h THR 87 Ca -0.00 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 66.93 1myi h THR 87 Cb 1.01 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 68.64 1myi h THR 87 CO 0.00 0.09 0.59 1.55 0.37 0.00 0.00 175.52 178.12 1myi h PRO 88 N -0.22 0.90 -0.45 6.66 0.13 -1.72 -1.32 132.00 135.98 1myi h PRO 88 Ca -0.01 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 1myi h PRO 88 Cb 0.20 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1myi h PRO 88 CO 0.01 0.60 -0.05 1.25 -0.23 0.00 0.00 178.00 179.58 1myi h LEU 89 N 0.93 0.82 -0.68 1.56 6.46 -1.60 -1.23 115.31 121.58 1myi h LEU 89 Ca 0.43 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1myi h LEU 89 Cb 0.40 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1myi h LEU 89 CO -0.19 0.96 0.28 0.00 -0.62 0.00 0.00 178.44 178.87 1myi h ALA 90 N 0.89 0.88 0.34 1.25 0.00 -0.54 -1.13 119.26 120.94 1myi h ALA 90 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1myi h ALA 90 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1myi h ALA 90 CO 0.03 0.48 -0.16 1.96 0.00 0.00 0.00 179.25 181.56 1myi h GLN 91 N 0.95 -0.44 -0.13 0.00 4.20 -1.11 -0.17 115.11 118.42 1myi h GLN 91 Ca 0.23 0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 1myi h GLN 91 Cb 0.19 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1myi h GLN 91 CO -0.02 -0.24 -0.46 0.66 -0.67 0.00 0.00 178.83 178.10 1myi h SER 92 N -0.53 0.34 0.74 1.46 4.64 -1.13 -0.72 113.55 118.35 1myi h SER 92 Ca -0.05 -0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 1myi h SER 92 Cb 0.40 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1myi h SER 92 CO 0.08 0.75 -0.60 0.45 -0.87 0.00 0.00 176.83 176.64 1myi h HIS 93 N 0.26 0.00 0.15 4.77 3.86 -1.12 0.20 115.15 123.27 1myi h HIS 93 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1myi h HIS 93 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1myi h HIS 93 CO 0.02 0.60 -0.07 0.00 0.86 0.00 0.00 177.93 179.34 1myi h ALA 94 N 1.40 -0.38 0.12 2.45 0.00 -0.92 0.43 119.26 122.35 1myi h ALA 94 Ca -0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1myi h ALA 94 Cb 1.13 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1myi h ALA 94 CO 0.08 -0.37 -1.89 1.79 0.00 0.00 0.00 179.25 178.86 1myi h THR 95 N -0.50 0.68 0.00 0.00 1.35 -1.23 -3.13 112.91 110.09 1myi h THR 95 Ca -0.02 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1myi h THR 95 Cb 0.16 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1myi h THR 95 CO 0.03 0.84 0.00 0.29 -0.25 0.00 0.00 175.52 176.43 1myi n LYS 96 N -3.60 0.00 -0.01 4.72 4.76 0.21 -4.59 118.16 119.65 1myi n LYS 96 Ca -0.31 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.15 1myi n LYS 96 Cb 1.01 -0.61 0.36 0.00 -1.84 0.00 0.00 35.03 33.95 1myi n LYS 96 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1myi h HIS 97 N 0.00 0.54 -5.39 2.13 3.86 -0.90 -3.48 115.15 111.90 1myi h HIS 97 Ca 0.00 -0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 58.96 1myi h HIS 97 Cb 0.00 -0.17 0.18 0.00 1.06 0.00 0.00 27.41 28.48 1myi h HIS 97 CO 0.00 0.42 -0.80 1.63 0.86 0.00 0.00 177.93 180.05 1myi n LYS 98 N -4.39 -2.15 -3.41 2.45 4.76 0.70 -4.98 118.16 111.14 1myi n LYS 98 Ca 0.03 0.88 -0.43 0.00 -2.87 0.00 0.00 58.31 55.92 1myi n LYS 98 Cb 0.14 -5.74 -0.10 0.00 -1.84 0.00 0.00 35.03 27.49 1myi n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1myi s ILE 99 N -3.36 5.20 0.86 -0.18 -1.09 0.12 -5.01 121.20 117.73 1myi s ILE 99 Ca 0.43 -0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 58.19 1myi s ILE 99 Cb -0.06 -3.97 0.11 0.00 -1.58 0.00 0.00 42.46 36.97 1myi s ILE 99 CO 0.72 -0.35 1.15 -2.16 -1.23 0.00 0.00 174.94 173.08 1myi s PRO 100 N 1.85 1.42 0.53 2.79 0.04 -1.26 -4.79 135.00 135.57 1myi s PRO 100 Ca 0.08 1.53 0.31 0.00 0.04 0.00 0.00 61.00 62.96 1myi s PRO 100 Cb -0.18 -1.77 1.36 0.00 0.04 0.00 0.00 34.50 33.95 1myi s PRO 100 CO 0.11 -2.33 2.00 -0.39 0.04 0.00 0.00 177.00 176.43 1myi h VAL 101 N -1.46 0.28 0.00 -0.36 -1.51 -1.97 -2.40 116.25 108.83 1myi h VAL 101 Ca -0.44 -0.64 -0.02 0.00 -1.23 0.00 0.00 66.70 64.37 1myi h VAL 101 Cb 1.27 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1myi h VAL 101 CO 0.45 0.09 -0.09 0.07 -1.23 0.00 0.00 177.57 176.85 1myi h LYS 102 N 0.00 0.00 -0.18 5.19 2.10 -2.00 -0.80 116.57 120.87 1myi h LYS 102 Ca -0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1myi h LYS 102 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1myi h LYS 102 CO 0.01 0.09 -0.28 1.88 -2.00 0.00 0.00 179.45 179.15 1myi h TYR 103 N 0.00 0.39 -0.48 0.07 -1.99 -1.79 -0.24 116.97 112.93 1myi h TYR 103 Ca -0.00 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.60 1myi h TYR 103 Cb 0.26 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 1myi h TYR 103 CO 0.00 0.60 0.11 -0.07 -0.00 0.00 0.00 178.16 178.80 1myi h LEU 104 N 0.31 0.68 -0.58 3.88 3.38 -1.14 -1.43 115.31 120.41 1myi h LEU 104 Ca 0.04 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1myi h LEU 104 Cb 0.66 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1myi h LEU 104 CO 0.05 0.68 -0.68 -0.33 0.09 0.00 0.00 178.44 178.25 1myi h GLU 105 N 0.71 0.17 -0.71 1.13 5.08 -1.01 -1.70 114.58 118.25 1myi h GLU 105 Ca 0.16 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1myi h GLU 105 Cb 0.28 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1myi h GLU 105 CO -0.00 0.78 0.31 0.74 -1.00 0.00 0.00 179.01 179.84 1myi h PHE 106 N 0.12 1.05 0.00 4.33 0.04 -0.33 -1.82 116.94 120.32 1myi h PHE 106 Ca -0.01 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 1myi h PHE 106 Cb 1.21 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 1myi h PHE 106 CO 0.02 0.79 -0.64 0.97 -0.60 0.00 0.00 178.31 178.85 1myi h ILE 107 N 1.00 1.43 -0.81 -0.55 2.10 -1.18 -2.17 117.51 117.32 1myi h ILE 107 Ca 0.24 -2.20 -0.02 0.00 1.08 0.00 0.00 64.86 63.95 1myi h ILE 107 Cb 0.16 2.20 -0.04 0.00 -1.09 0.00 0.00 36.82 38.05 1myi h ILE 107 CO -0.03 0.62 0.41 0.28 -1.08 0.00 0.00 178.15 178.36 1myi h SER 108 N 0.00 1.04 -0.33 2.19 0.02 -1.10 -1.59 113.55 113.78 1myi h SER 108 Ca -0.01 -0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 1myi h SER 108 Cb 1.15 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1myi h SER 108 CO 0.08 0.87 -0.36 -0.08 -1.14 0.00 0.00 176.83 176.20 1myi h GLU 109 N 1.14 0.88 -0.81 3.45 4.81 -0.96 -1.94 114.58 121.14 1myi h GLU 109 Ca 0.28 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1myi h GLU 109 Cb 0.08 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1myi h GLU 109 CO -0.04 1.09 0.46 0.00 -0.73 0.00 0.00 179.01 179.79 1myi h ALA 110 N 0.86 1.27 0.00 2.92 0.00 -1.20 -0.64 119.26 122.47 1myi h ALA 110 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1myi h ALA 110 Cb 0.94 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1myi h ALA 110 CO 0.09 0.60 -0.11 0.82 0.00 0.00 0.00 179.25 180.64 1myi h ILE 111 N 1.13 0.72 -0.66 0.00 2.04 -1.05 -0.77 117.51 118.93 1myi h ILE 111 Ca 0.29 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 1myi h ILE 111 Cb 0.01 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1myi h ILE 111 CO -0.05 0.00 0.37 0.40 0.00 0.00 0.00 178.15 178.87 1myi h ILE 112 N -0.19 1.20 -0.74 -0.67 2.04 -1.12 -2.17 117.51 115.86 1myi h ILE 112 Ca 0.04 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1myi h ILE 112 Cb 0.24 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1myi h ILE 112 CO -0.11 0.22 0.37 1.56 0.00 0.00 0.00 178.15 180.19 1myi h GLN 113 N 0.90 1.04 -0.38 2.37 4.20 -0.87 -0.94 115.11 121.44 1myi h GLN 113 Ca 0.23 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1myi h GLN 113 Cb 0.03 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1myi h GLN 113 CO -0.04 0.79 0.14 0.28 -0.67 0.00 0.00 178.83 179.33 1myi h VAL 114 N 1.04 1.20 -0.42 -0.54 2.07 -0.89 -1.07 116.25 117.65 1myi h VAL 114 Ca 0.26 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1myi h VAL 114 Cb 0.08 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1myi h VAL 114 CO -0.04 0.23 0.23 -0.07 0.02 0.00 0.00 177.57 177.94 1myi h LEU 115 N 0.47 0.53 -0.53 2.57 3.38 -1.25 0.26 115.31 120.75 1myi h LEU 115 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1myi h LEU 115 Cb 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1myi h LEU 115 CO -0.01 0.48 0.35 -0.61 0.09 0.00 0.00 178.44 178.74 1myi h GLN 116 N 0.55 0.70 0.03 1.13 5.75 -1.06 0.23 115.11 122.44 1myi h GLN 116 Ca 0.15 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1myi h GLN 116 Cb 0.06 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1myi h GLN 116 CO -0.02 0.47 -0.01 0.77 -2.65 0.00 0.00 178.83 177.38 1myi h SER 117 N 0.72 -0.03 1.02 -0.69 0.02 -0.81 -3.14 113.55 110.64 1myi h SER 117 Ca 0.19 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 1myi h SER 117 Cb -0.08 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1myi h SER 117 CO -0.04 0.16 -1.04 0.11 -1.14 0.00 0.00 176.83 174.88 1myi h LYS 118 N -0.22 0.00 -1.62 3.45 1.57 -0.45 -3.41 116.57 115.90 1myi h LYS 118 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1myi h LYS 118 Cb 0.21 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.11 1myi h LYS 118 CO 0.01 0.35 -0.99 0.72 -0.57 0.00 0.00 179.45 178.96 1myi n HIS 119 N -3.00 1.94 -0.06 -1.35 8.25 0.81 -4.94 115.22 116.87 1myi n HIS 119 Ca -0.05 -3.36 0.14 0.00 -0.26 0.00 0.00 57.72 54.20 1myi n HIS 119 Cb 0.78 -0.34 0.55 0.00 1.12 0.00 0.00 29.99 32.09 1myi n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myi h PRO 120 N 2.90 0.29 0.00 -0.41 0.13 -1.69 0.23 132.00 133.46 1myi h PRO 120 Ca 0.08 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 1myi h PRO 120 Cb 0.94 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1myi h PRO 120 CO 0.64 0.19 -0.59 0.78 -0.23 0.00 0.00 178.00 178.79 1myi h GLY 121 N 0.30 0.00 0.00 1.56 0.00 -1.92 -3.13 103.07 99.89 1myi h GLY 121 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1myi h GLY 121 CO -0.06 0.00 -1.08 1.22 0.00 0.00 0.00 176.54 176.62 1myi n ASP 122 N -3.28 0.92 -3.66 0.19 9.92 -0.22 -4.58 116.55 115.85 1myi n ASP 122 Ca 0.01 -0.92 -0.38 0.00 -0.53 0.00 0.00 54.79 52.97 1myi n ASP 122 Cb 0.75 1.08 -0.00 0.00 -0.64 0.00 0.00 41.12 42.31 1myi n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1myi n PHE 123 N -1.56 2.85 -1.00 1.24 7.35 0.65 -4.86 117.46 122.13 1myi n PHE 123 Ca 0.03 -2.96 0.00 0.00 -0.76 0.00 0.00 57.45 53.77 1myi n PHE 123 Cb 0.35 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.14 1myi n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myi n GLY 124 N 0.55 -0.37 0.19 7.13 0.00 -1.26 -4.61 105.19 106.82 1myi n GLY 124 Ca 0.35 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 1myi n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myi h ALA 125 N -1.61 0.55 -0.05 4.61 0.00 -1.96 0.23 119.26 121.03 1myi h ALA 125 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1myi h ALA 125 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1myi h ALA 125 CO 0.00 -0.24 0.02 -0.44 0.00 0.00 0.00 179.25 178.59 1myi h ASP 126 N 0.32 0.07 -0.50 0.00 3.32 -1.99 -1.66 116.42 115.98 1myi h ASP 126 Ca 0.22 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1myi h ASP 126 Cb 0.23 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1myi h ASP 126 CO -0.23 0.18 -0.10 0.00 -1.72 0.00 0.00 179.24 177.37 1myi h ALA 127 N 0.89 0.68 -0.62 3.45 0.00 -1.86 -1.84 119.26 119.95 1myi h ALA 127 Ca 0.02 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1myi h ALA 127 Cb 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1myi h ALA 127 CO -0.00 0.58 0.34 1.96 0.00 0.00 0.00 179.25 182.12 1myi h GLN 128 N 0.80 0.61 -0.62 0.00 4.20 -0.42 -1.82 115.11 117.87 1myi h GLN 128 Ca 0.13 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1myi h GLN 128 Cb 0.65 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1myi h GLN 128 CO 0.05 0.40 0.26 0.78 -0.67 0.00 0.00 178.83 179.65 1myi h GLY 129 N 0.63 0.98 0.92 3.46 0.00 -1.06 -0.28 103.07 107.73 1myi h GLY 129 Ca 0.28 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1myi h GLY 129 CO -0.18 0.50 0.01 0.00 0.00 0.00 0.00 176.54 176.87 1myi h ALA 130 N 1.10 0.49 -0.84 3.60 0.00 -1.19 -2.07 119.26 120.34 1myi h ALA 130 Ca 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1myi h ALA 130 Cb 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1myi h ALA 130 CO -0.02 0.25 0.40 1.98 0.00 0.00 0.00 179.25 181.86 1myi h MET 131 N 0.46 1.22 -0.06 0.00 -1.53 -1.21 -1.59 114.93 112.21 1myi h MET 131 Ca 0.10 -0.18 -0.11 0.00 -3.44 0.00 0.00 59.70 56.07 1myi h MET 131 Cb 0.45 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.27 1myi h MET 131 CO 0.02 0.94 -0.47 1.03 0.14 0.00 0.00 176.91 178.57 1myi h SER 132 N 1.20 0.17 -0.11 1.39 0.87 -0.89 -0.93 113.55 115.25 1myi h SER 132 Ca 0.29 -0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 1myi h SER 132 Cb 0.13 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1myi h SER 132 CO -0.04 0.61 -0.35 0.11 -0.53 0.00 0.00 176.83 176.64 1myi h LYS 133 N 0.13 0.61 -0.52 2.24 1.57 -0.99 -0.27 116.57 119.35 1myi h LYS 133 Ca 0.01 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1myi h LYS 133 Cb 0.88 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1myi h LYS 133 CO 0.07 0.87 0.17 0.00 -0.57 0.00 0.00 179.45 179.99 1myi h ALA 134 N 1.10 0.67 -0.24 3.86 0.00 -1.00 -2.02 119.26 121.63 1myi h ALA 134 Ca 0.05 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1myi h ALA 134 Cb 0.84 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1myi h ALA 134 CO 0.07 0.32 -0.54 -0.07 0.00 0.00 0.00 179.25 179.03 1myi h LEU 135 N 0.70 0.80 -1.38 0.00 3.38 -1.07 -1.95 115.31 115.80 1myi h LEU 135 Ca 0.17 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1myi h LEU 135 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1myi h LEU 135 CO -0.01 1.19 0.11 -0.08 0.09 0.00 0.00 178.44 179.74 1myi h GLU 136 N 0.56 0.53 -0.01 1.13 4.81 -0.88 0.49 114.58 121.21 1myi h GLU 136 Ca 0.01 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1myi h GLU 136 Cb 1.12 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1myi h GLU 136 CO 0.11 0.47 0.00 1.25 -0.73 0.00 0.00 179.01 180.12 1myi h LEU 137 N 0.53 0.01 -0.22 1.64 5.85 -1.22 0.38 115.31 122.27 1myi h LEU 137 Ca 0.13 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1myi h LEU 137 Cb 0.17 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1myi h LEU 137 CO -0.01 0.17 -0.02 0.15 -0.34 0.00 0.00 178.44 178.40 1myi h PHE 138 N -0.16 -0.04 -0.53 1.25 3.57 -1.05 -0.53 116.94 119.46 1myi h PHE 138 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1myi h PHE 138 Cb 0.17 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1myi h PHE 138 CO -0.02 -0.05 0.23 0.00 -2.23 0.00 0.00 178.31 176.23 1myi h ARG 139 N 0.05 0.77 -0.66 1.11 3.08 -0.58 -1.21 114.38 116.94 1myi h ARG 139 Ca 0.10 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1myi h ARG 139 Cb 0.14 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1myi h ARG 139 CO -0.19 0.67 0.35 -0.91 -1.07 0.00 0.00 179.97 178.82 1myi h ASN 140 N 0.71 0.51 0.59 7.04 -0.26 -0.71 -1.11 115.58 122.34 1myi h ASN 140 Ca 0.18 0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.86 1myi h ASN 140 Cb 0.17 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1myi h ASN 140 CO -0.02 0.32 -0.46 0.44 -1.06 0.00 0.00 177.43 176.66 1myi h ASP 141 N 0.64 0.00 0.11 5.81 5.19 -0.92 -2.29 116.42 124.96 1myi h ASP 141 Ca 0.30 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1myi h ASP 141 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1myi h ASP 141 CO -0.20 0.46 -0.05 0.24 -3.12 0.00 0.00 179.24 176.57 1myi h MET 142 N 0.00 -0.14 -0.27 3.56 2.86 -0.74 -2.59 114.93 117.60 1myi h MET 142 Ca -0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1myi h MET 142 Cb 0.88 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1myi h MET 142 CO 0.06 0.05 0.13 0.00 1.06 0.00 0.00 176.91 178.21 1myi h ALA 143 N 0.56 1.72 -0.24 6.32 0.00 -1.15 -0.05 119.26 126.42 1myi h ALA 143 Ca -0.02 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1myi h ALA 143 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1myi h ALA 143 CO 0.02 0.23 -0.48 0.00 0.00 0.00 0.00 179.25 179.03 1myi h ALA 144 N 1.77 0.70 0.03 0.00 0.00 -1.34 -2.29 119.26 118.13 1myi h ALA 144 Ca 0.10 -0.48 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 1myi h ALA 144 Cb 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1myi h ALA 144 CO -0.01 0.67 -1.09 -0.22 0.00 0.00 0.00 179.25 178.60 1myi h LYS 145 N 0.52 0.64 -0.90 0.00 1.63 -0.95 -2.96 116.57 114.54 1myi h LYS 145 Ca 0.03 -0.73 0.05 0.00 -0.85 0.00 0.00 60.65 59.14 1myi h LYS 145 Cb 1.02 0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 32.82 1myi h LYS 145 CO 0.10 1.31 0.59 1.88 -3.45 0.00 0.00 179.45 179.88 1myi h TYR 146 N 0.34 1.06 0.00 1.91 -1.99 -0.97 -1.42 116.97 115.90 1myi h TYR 146 Ca -0.14 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 1myi h TYR 146 Cb 1.74 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 40.11 1myi h TYR 146 CO 0.10 0.58 -0.50 1.57 -0.00 0.00 0.00 178.16 179.92 1myi h LYS 147 N 1.07 0.00 0.00 4.88 2.10 -1.38 0.80 116.57 124.04 1myi h LYS 147 Ca 0.37 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.99 1myi h LYS 147 Cb 0.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1myi h LYS 147 CO -0.13 0.22 -0.14 1.49 -2.00 0.00 0.00 179.45 178.90 1myi h GLU 148 N 0.00 0.00 0.00 0.07 4.81 -1.34 -2.71 114.58 115.41 1myi h GLU 148 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1myi h GLU 148 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1myi h GLU 148 CO 0.03 0.14 -0.06 1.28 -0.73 0.00 0.00 179.01 179.66 1myi n LEU 149 N -3.16 0.46 0.00 1.64 4.77 -0.55 -4.89 117.00 115.26 1myi n LEU 149 Ca 0.02 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1myi n LEU 149 Cb 0.52 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1myi n LEU 149 CO 0.34 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1myi n GLY 150 N 1.40 0.83 3.83 -0.72 0.00 -0.98 -5.08 105.19 104.47 1myi n GLY 150 Ca 0.06 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 1myi n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1myi s PHE 151 N -2.00 3.75 0.00 1.61 5.36 0.28 -4.90 117.98 122.07 1myi s PHE 151 Ca 0.00 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1myi s PHE 151 Cb 0.00 -2.40 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 1myi s PHE 151 CO 0.00 0.59 0.00 0.00 -1.46 0.00 0.00 175.22 174.35 1myi n GLN 152 N 1.60 0.00 0.00 10.12 -0.00 -1.26 -3.80 117.38 124.04 1myi n GLN 152 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.89 1myi n GLN 152 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.75 1myi n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47