#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 3.60 0.79 0.99 1.02 -1.26 -5.11 118.68 118.71 1myi s LEU 2 Ca 0.00 -0.26 -0.12 0.00 0.02 0.00 0.00 54.13 53.77 1myi s LEU 2 Cb 0.00 -2.21 0.06 0.00 0.02 0.00 0.00 46.19 44.06 1myi s LEU 2 CO 0.00 0.06 1.10 -0.94 0.02 0.00 0.00 176.35 176.59 1myi s SER 3 N -3.15 4.63 0.26 2.29 1.04 -1.26 -4.85 113.70 112.66 1myi s SER 3 Ca 0.30 1.24 -0.02 0.00 0.48 0.00 0.00 55.95 57.96 1myi s SER 3 Cb -0.09 -1.98 0.48 0.00 0.10 0.00 0.00 66.02 64.53 1myi s SER 3 CO 0.22 -1.88 1.81 0.44 0.98 0.00 0.00 173.24 174.82 1myi h ASP 4 N -1.02 0.76 -0.68 7.02 3.32 -1.99 -1.48 116.42 122.34 1myi h ASP 4 Ca -0.47 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1myi h ASP 4 Cb 1.27 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1myi h ASP 4 CO 0.60 0.41 0.26 1.23 -1.72 0.00 0.00 179.24 180.02 1myi h GLY 5 N 0.85 1.12 0.74 2.75 0.00 -2.00 -2.06 103.07 104.47 1myi h GLY 5 Ca 0.45 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1myi h GLY 5 CO -0.27 0.57 -0.10 0.83 0.00 0.00 0.00 176.54 177.57 1myi h GLU 6 N 1.01 0.33 -0.61 4.80 5.08 -1.79 -2.48 114.58 120.92 1myi h GLU 6 Ca 0.23 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1myi h GLU 6 Cb 0.22 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1myi h GLU 6 CO -0.02 0.67 0.37 -1.49 -1.00 0.00 0.00 179.01 177.55 1myi h TRP 7 N -0.02 0.79 0.15 4.33 -0.00 -1.21 -2.43 115.95 117.56 1myi h TRP 7 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.92 1myi h TRP 7 Cb 0.59 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 29.49 1myi h TRP 7 CO 0.07 0.53 -0.07 0.37 -0.00 0.00 0.00 178.44 179.34 1myi h GLN 8 N 0.84 -0.20 -0.68 0.49 5.75 -1.24 -1.62 115.11 118.45 1myi h GLN 8 Ca 0.22 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.81 1myi h GLN 8 Cb -0.04 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 1myi h GLN 8 CO -0.04 -0.08 0.36 -0.07 -2.65 0.00 0.00 178.83 176.35 1myi h LEU 9 N -0.27 0.50 0.26 -2.39 3.38 -1.07 -1.10 115.31 114.62 1myi h LEU 9 Ca -0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1myi h LEU 9 Cb 0.21 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1myi h LEU 9 CO 0.03 0.31 -0.35 0.58 0.09 0.00 0.00 178.44 179.11 1myi h VAL 10 N 0.64 0.28 -0.86 1.22 2.07 -1.34 -1.51 116.25 116.75 1myi h VAL 10 Ca 0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1myi h VAL 10 Cb 0.27 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1myi h VAL 10 CO -0.22 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 177.84 1myi h LEU 11 N -0.66 1.00 -0.16 2.57 3.38 -1.17 0.58 115.31 120.86 1myi h LEU 11 Ca -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1myi h LEU 11 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1myi h LEU 11 CO -0.12 0.75 0.06 -1.13 0.09 0.00 0.00 178.44 178.09 1myi h ASN 12 N 1.17 0.21 -0.70 -0.43 -1.24 -1.09 -2.31 115.58 111.18 1myi h ASN 12 Ca 0.31 -0.16 -0.07 0.00 0.71 0.00 0.00 56.30 57.09 1myi h ASN 12 Cb -0.10 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 38.87 1myi h ASN 12 CO -0.06 0.31 0.16 1.62 -1.29 0.00 0.00 177.43 178.17 1myi h VAL 13 N 0.10 1.26 -0.54 2.57 3.04 -0.80 -2.84 116.25 119.05 1myi h VAL 13 Ca 0.05 -0.99 0.12 0.00 -1.01 0.00 0.00 66.70 64.87 1myi h VAL 13 Cb 0.16 0.55 -0.03 0.00 -2.01 0.00 0.00 31.29 29.96 1myi h VAL 13 CO -0.00 0.38 0.37 -0.25 -1.01 0.00 0.00 177.57 177.05 1myi h TRP 14 N 1.07 0.24 -0.41 3.17 2.91 -0.78 -2.30 115.95 119.85 1myi h TRP 14 Ca 0.22 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.32 1myi h TRP 14 Cb 0.39 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1myi h TRP 14 CO 0.03 0.11 0.28 0.78 -1.03 0.00 0.00 178.44 178.61 1myi h GLY 15 N 0.22 0.29 0.94 2.65 0.00 -1.15 -0.29 103.07 105.73 1myi h GLY 15 Ca 0.25 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 1myi h GLY 15 CO -0.05 0.07 -0.25 0.50 0.00 0.00 0.00 176.54 176.81 1myi h LYS 16 N 0.23 0.65 -0.38 4.80 1.79 -1.55 -2.90 116.57 119.21 1myi h LYS 16 Ca 0.18 -0.34 -0.07 0.00 -2.18 0.00 0.00 60.65 58.25 1myi h LYS 16 Cb 0.44 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1myi h LYS 16 CO -0.03 0.94 -0.02 0.28 -1.08 0.00 0.00 179.45 179.53 1myi h VAL 17 N 0.38 1.26 0.00 0.50 2.07 -1.19 -3.04 116.25 116.24 1myi h VAL 17 Ca 0.05 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1myi h VAL 17 Cb 0.81 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1myi h VAL 17 CO 0.06 0.35 -0.00 -0.33 0.02 0.00 0.00 177.57 177.67 1myi h GLU 18 N 0.51 0.00 0.00 1.57 5.08 -1.05 0.16 114.58 120.85 1myi h GLU 18 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1myi h GLU 18 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1myi h GLU 18 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1myi n ALA 19 N -2.18 1.90 -2.73 3.43 0.00 -1.10 -4.32 120.51 115.52 1myi n ALA 19 Ca -0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1myi n ALA 19 Cb 0.08 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.69 -2.49 0.23 0.00 2.03 0.46 -5.05 116.55 110.03 1myi n ASP 20 Ca 0.04 -3.15 -0.15 0.00 0.52 0.00 0.00 54.79 52.05 1myi n ASP 20 Cb 0.25 1.70 -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 2.67 0.60 -0.18 5.18 2.07 -1.46 -2.40 116.25 122.74 1myi h VAL 21 Ca -0.16 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1myi h VAL 21 Cb 1.08 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1myi h VAL 21 CO 0.20 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.56 1myi h ALA 22 N 0.08 1.28 -0.31 1.67 0.00 -1.88 -0.11 119.26 119.98 1myi h ALA 22 Ca -0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1myi h ALA 22 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1myi h ALA 22 CO 0.08 0.48 -0.08 0.78 0.00 0.00 0.00 179.25 180.51 1myi h GLY 23 N 0.97 0.66 1.30 0.00 0.00 -1.90 -0.58 103.07 103.50 1myi h GLY 23 Ca 0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 1myi h GLY 23 CO 0.04 0.50 -0.00 0.45 0.00 0.00 0.00 176.54 177.53 1myi h HIS 24 N 0.38 0.91 -0.15 5.60 3.86 -1.28 -2.87 115.15 121.60 1myi h HIS 24 Ca 0.08 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1myi h HIS 24 Cb 0.58 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1myi h HIS 24 CO 0.05 0.83 0.09 0.78 0.86 0.00 0.00 177.93 180.55 1myi h GLY 25 N 0.98 0.21 0.75 2.45 0.00 -0.81 -1.92 103.07 104.74 1myi h GLY 25 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1myi h GLY 25 CO 0.02 0.07 -0.21 -1.61 0.00 0.00 0.00 176.54 174.81 1myi h GLN 26 N 0.19 -0.45 -0.47 4.80 4.15 -1.13 -0.66 115.11 121.55 1myi h GLN 26 Ca 0.06 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.52 1myi h GLN 26 Cb -0.02 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1myi h GLN 26 CO -0.02 -0.30 0.32 0.93 -1.93 0.00 0.00 178.83 177.83 1myi h GLU 27 N -0.46 0.57 -0.13 1.69 5.08 -1.40 -1.61 114.58 118.31 1myi h GLU 27 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1myi h GLU 27 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1myi h GLU 27 CO -0.05 0.38 0.05 0.28 -1.00 0.00 0.00 179.01 178.66 1myi h VAL 28 N 0.58 1.17 -0.17 3.13 2.07 -1.06 -1.13 116.25 120.84 1myi h VAL 28 Ca 0.18 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1myi h VAL 28 Cb 0.02 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1myi h VAL 28 CO -0.04 0.15 -0.38 -0.07 0.02 0.00 0.00 177.57 177.25 1myi h LEU 29 N 0.04 0.39 -0.66 2.57 3.38 -0.63 -2.03 115.31 118.37 1myi h LEU 29 Ca 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1myi h LEU 29 Cb 0.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1myi h LEU 29 CO -0.00 0.74 0.30 0.40 0.09 0.00 0.00 178.44 179.96 1myi h ILE 30 N 0.31 1.23 -0.36 1.22 2.04 -1.18 -1.52 117.51 119.26 1myi h ILE 30 Ca 0.03 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1myi h ILE 30 Cb 0.81 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1myi h ILE 30 CO 0.07 0.27 0.16 0.03 0.00 0.00 0.00 178.15 178.68 1myi h ARG 31 N 0.92 0.33 -0.06 2.37 3.08 -1.04 -0.80 114.38 119.19 1myi h ARG 31 Ca 0.22 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1myi h ARG 31 Cb 0.15 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1myi h ARG 31 CO -0.02 0.22 0.04 1.25 -1.07 0.00 0.00 179.97 180.38 1myi h LEU 32 N 0.34 0.07 -0.67 3.04 5.85 -1.28 -0.86 115.31 121.80 1myi h LEU 32 Ca 0.15 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1myi h LEU 32 Cb 0.08 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1myi h LEU 32 CO -0.12 0.09 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.27 1myi h PHE 33 N 0.04 0.43 -0.07 1.25 0.04 -1.02 -0.34 116.94 117.27 1myi h PHE 33 Ca 0.02 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 1myi h PHE 33 Cb 0.03 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1myi h PHE 33 CO -0.06 0.81 -0.28 0.87 -0.60 0.00 0.00 178.31 179.05 1myi h LYS 34 N 0.27 0.32 -0.22 1.51 6.56 -1.20 -3.15 116.57 120.66 1myi h LYS 34 Ca 0.01 -0.24 -0.21 0.00 -1.06 0.00 0.00 60.65 59.14 1myi h LYS 34 Cb 1.03 0.05 0.01 0.00 -0.57 0.00 0.00 32.23 32.75 1myi h LYS 34 CO 0.09 0.88 -0.67 0.78 -2.06 0.00 0.00 179.45 178.47 1myi h GLY 35 N -0.17 0.92 -6.38 3.86 0.00 -1.03 -3.40 103.07 96.86 1myi h GLY 35 Ca -0.01 -1.19 -0.55 0.00 0.00 0.00 0.00 47.33 45.57 1myi h GLY 35 CO 0.06 1.06 -0.89 0.30 0.00 0.00 0.00 176.54 177.07 1myi s HIS 36 N -3.92 0.74 0.60 5.60 3.76 -0.15 -5.05 115.29 116.87 1myi s HIS 36 Ca -0.11 -1.90 0.32 0.00 -0.15 0.00 0.00 55.06 53.22 1myi s HIS 36 Cb 0.09 -0.82 1.86 0.00 1.11 0.00 0.00 32.58 34.82 1myi s HIS 36 CO 0.90 -0.86 2.22 -1.35 -0.85 0.00 0.00 174.74 174.80 1myi h PRO 37 N 6.19 0.00 0.00 8.40 0.11 -1.74 -1.22 132.00 143.74 1myi h PRO 37 Ca 0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1myi h PRO 37 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1myi h PRO 37 CO 0.30 0.00 -0.26 1.05 -0.21 0.00 0.00 178.00 178.89 1myi h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.52 114.58 120.28 1myi h GLU 38 Ca 0.02 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.38 1myi h GLU 38 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1myi h GLU 38 CO -0.00 0.26 -0.27 1.79 0.05 0.00 0.00 179.01 180.83 1myi h THR 39 N 0.00 0.63 0.00 -1.06 1.35 -1.55 -3.13 112.91 109.14 1myi h THR 39 Ca -0.00 -1.31 -0.04 0.00 -0.55 0.00 0.00 66.41 64.51 1myi h THR 39 Cb 0.69 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 1myi h THR 39 CO 0.03 0.27 -0.19 0.25 -0.25 0.00 0.00 175.52 175.63 1myi h LEU 40 N 0.00 0.00 -2.50 3.87 5.85 -1.60 -1.99 115.31 118.95 1myi h LEU 40 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1myi h LEU 40 Cb 0.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1myi h LEU 40 CO 0.04 0.19 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.98 1myi h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.68 -1.79 114.58 116.75 1myi h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1myi h GLU 41 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1myi h GLU 41 CO 0.02 0.02 -0.07 1.63 -1.16 0.00 0.00 179.01 179.45 1myi n LYS 42 N -3.28 0.09 -3.46 2.33 4.76 -0.75 -4.60 118.16 113.25 1myi n LYS 42 Ca -0.02 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 1myi n LYS 42 Cb 0.14 -1.60 -0.09 0.00 -1.84 0.00 0.00 35.03 31.64 1myi n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1myi s PHE 43 N -3.04 3.26 0.15 2.13 0.40 -0.67 -4.94 117.98 115.28 1myi s PHE 43 Ca 0.12 -1.00 -0.17 0.00 -0.60 0.00 0.00 56.93 55.29 1myi s PHE 43 Cb 0.17 -2.97 0.06 0.00 0.51 0.00 0.00 43.02 40.79 1myi s PHE 43 CO 0.57 -0.76 1.72 -0.44 0.70 0.00 0.00 175.22 177.01 1myi h ASP 44 N 8.64 -0.03 0.00 1.36 3.32 -1.85 -1.03 116.42 126.82 1myi h ASP 44 Ca -0.27 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1myi h ASP 44 Cb 1.11 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1myi h ASP 44 CO 0.81 0.02 0.46 0.77 -1.72 0.00 0.00 179.24 179.59 1myi h SER 45 N 0.16 0.00 0.00 6.45 4.64 -1.95 -2.75 113.55 120.09 1myi h SER 45 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1myi h SER 45 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1myi h SER 45 CO -0.23 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.22 1myi n PHE 46 N -2.76 0.00 0.30 4.77 3.72 -0.47 -4.80 117.46 118.23 1myi n PHE 46 Ca -0.02 -0.07 0.17 0.00 -0.05 0.00 0.00 57.45 57.49 1myi n PHE 46 Cb 0.50 -0.01 0.79 0.00 -0.94 0.00 0.00 39.48 39.82 1myi n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1myi h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.05 -1.98 116.57 114.56 1myi h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1myi h LYS 47 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1myi h LYS 47 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 1myi n HIS 48 N -2.79 0.00 -2.78 0.07 8.25 -1.26 -4.72 115.22 111.99 1myi n HIS 48 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1myi n HIS 48 Cb 0.18 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.85 1myi n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1myi s LEU 49 N -2.82 4.14 -0.00 2.41 1.43 -0.75 -4.90 118.68 118.19 1myi s LEU 49 Ca 0.13 1.27 0.13 0.00 -1.03 0.00 0.00 54.13 54.64 1myi s LEU 49 Cb 0.13 -3.38 0.39 0.00 0.03 0.00 0.00 46.19 43.35 1myi s LEU 49 CO 0.32 -0.52 1.32 2.29 0.23 0.00 0.00 176.35 179.99 1myi n LYS 50 N 5.71 2.85 -3.72 1.70 0.00 -1.26 -4.99 118.16 118.45 1myi n LYS 50 Ca 0.08 -2.20 -0.05 0.00 -0.00 0.00 0.00 58.31 56.14 1myi n LYS 50 Cb 0.48 -1.34 -0.02 0.00 -0.00 0.00 0.00 35.03 34.15 1myi n LYS 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1myi s SER 51 N -1.00 -0.24 0.32 -5.58 1.04 -1.26 -4.96 113.70 102.01 1myi s SER 51 Ca 0.29 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1myi s SER 51 Cb 0.15 0.52 0.54 0.00 0.10 0.00 0.00 66.02 67.33 1myi s SER 51 CO 0.20 -0.93 1.95 -0.08 0.98 0.00 0.00 173.24 175.36 1myi h GLU 52 N 2.00 0.97 -0.23 4.02 4.81 -1.98 0.48 114.58 124.66 1myi h GLU 52 Ca -0.23 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 1myi h GLU 52 Cb 1.24 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1myi h GLU 52 CO 0.27 0.64 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.41 1myi h ASP 53 N 1.00 0.50 -0.17 1.04 3.32 -1.99 0.76 116.42 120.87 1myi h ASP 53 Ca 0.32 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 1myi h ASP 53 Cb 0.04 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1myi h ASP 53 CO -0.10 0.81 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.42 1myi h GLU 54 N 0.41 0.74 -0.63 3.56 5.08 -1.48 -2.86 114.58 119.41 1myi h GLU 54 Ca 0.05 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1myi h GLU 54 Cb 0.79 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1myi h GLU 54 CO 0.06 1.06 0.19 0.52 -1.00 0.00 0.00 179.01 179.84 1myi h MET 55 N 0.59 0.98 0.00 2.33 2.86 -0.52 -2.97 114.93 118.20 1myi h MET 55 Ca 0.03 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1myi h MET 55 Cb 1.05 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1myi h MET 55 CO 0.10 0.87 -0.13 -0.22 1.06 0.00 0.00 176.91 178.59 1myi h LYS 56 N 0.91 0.00 0.00 1.72 1.63 -0.81 -3.09 116.57 116.93 1myi h LYS 56 Ca 0.20 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.93 1myi h LYS 56 Cb 0.31 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1myi h LYS 56 CO -0.00 0.13 -0.61 0.00 -3.45 0.00 0.00 179.45 175.52 1myi h ALA 57 N 1.87 0.73 -1.98 5.00 0.00 -1.35 -3.47 119.26 120.06 1myi h ALA 57 Ca -0.00 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.99 1myi h ALA 57 Cb 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1myi h ALA 57 CO 0.02 0.43 1.30 0.45 0.00 0.00 0.00 179.25 181.45 1myi s SER 58 N -6.12 5.93 0.15 0.00 0.15 -1.16 -4.87 113.70 107.78 1myi s SER 58 Ca 0.03 1.65 0.05 0.00 0.70 0.00 0.00 55.95 58.38 1myi s SER 58 Cb 0.07 -2.52 -0.08 0.00 -1.71 0.00 0.00 66.02 61.78 1myi s SER 58 CO 0.74 -1.62 1.34 1.05 1.20 0.00 0.00 173.24 175.96 1myi h GLU 59 N 12.78 0.09 -0.04 5.44 4.11 -1.90 -2.99 114.58 132.07 1myi h GLU 59 Ca -0.37 -0.12 -0.16 0.00 0.07 0.00 0.00 59.36 58.78 1myi h GLU 59 Cb 1.19 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1myi h GLU 59 CO 1.00 0.96 -0.69 -0.44 0.07 0.00 0.00 179.01 179.90 1myi h ASP 60 N 0.04 0.24 -0.43 3.06 3.32 -1.97 -1.86 116.42 118.82 1myi h ASP 60 Ca -0.03 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1myi h ASP 60 Cb 1.62 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.08 1myi h ASP 60 CO 0.13 0.86 0.19 0.25 -1.72 0.00 0.00 179.24 178.95 1myi h LEU 61 N 0.14 0.58 -0.59 1.55 6.46 -1.90 -2.13 115.31 119.42 1myi h LEU 61 Ca -0.02 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 1myi h LEU 61 Cb 1.24 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 1myi h LEU 61 CO 0.11 0.57 0.29 0.50 -0.62 0.00 0.00 178.44 179.29 1myi h LYS 62 N 0.55 0.84 -0.64 1.25 3.64 -1.34 -1.48 116.57 119.40 1myi h LYS 62 Ca 0.15 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1myi h LYS 62 Cb 0.16 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1myi h LYS 62 CO -0.01 0.68 0.16 0.87 -2.27 0.00 0.00 179.45 178.87 1myi h LYS 63 N 0.80 1.03 -0.36 1.90 1.57 -1.30 -2.43 116.57 117.78 1myi h LYS 63 Ca 0.20 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1myi h LYS 63 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1myi h LYS 63 CO -0.03 0.92 0.05 1.25 -0.57 0.00 0.00 179.45 181.08 1myi h HIS 64 N 0.95 0.64 -0.50 -1.35 2.76 -1.14 -2.20 115.15 114.30 1myi h HIS 64 Ca 0.20 -0.09 0.10 0.00 -2.20 0.00 0.00 60.37 58.38 1myi h HIS 64 Cb 0.36 -0.17 -0.10 0.00 1.55 0.00 0.00 27.41 29.04 1myi h HIS 64 CO 0.03 0.66 -0.25 0.78 -1.30 0.00 0.00 177.93 177.84 1myi h GLY 65 N 0.43 0.04 0.51 5.26 0.00 -1.18 -1.72 103.07 106.40 1myi h GLY 65 Ca 0.11 0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.83 1myi h GLY 65 CO 0.01 -0.22 0.12 -0.57 0.00 0.00 0.00 176.54 175.88 1myi h ASN 66 N -0.14 0.07 -0.50 0.19 -0.73 -1.17 -2.62 115.58 110.67 1myi h ASN 66 Ca 0.22 0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.42 1myi h ASN 66 Cb 0.50 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.14 1myi h ASN 66 CO -0.58 0.07 0.16 0.74 -0.37 0.00 0.00 177.43 177.45 1myi h THR 67 N 0.26 1.23 0.11 -3.57 2.02 -1.01 0.21 112.91 112.17 1myi h THR 67 Ca 0.21 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1myi h THR 67 Cb 0.25 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1myi h THR 67 CO -0.25 0.28 -0.05 0.58 0.37 0.00 0.00 175.52 176.44 1myi h VAL 68 N 0.69 1.00 -0.02 3.16 2.07 -1.19 -2.33 116.25 119.62 1myi h VAL 68 Ca 0.16 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 1myi h VAL 68 Cb 0.28 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1myi h VAL 68 CO -0.00 0.10 -0.66 -0.07 0.02 0.00 0.00 177.57 176.95 1myi h LEU 69 N -0.35 0.12 -0.30 2.57 3.38 -1.43 -0.71 115.31 118.59 1myi h LEU 69 Ca -0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1myi h LEU 69 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1myi h LEU 69 CO 0.03 0.75 0.04 0.74 0.09 0.00 0.00 178.44 180.09 1myi h THR 70 N 0.07 1.24 -0.17 0.22 2.02 -0.54 -1.36 112.91 114.40 1myi h THR 70 Ca -0.01 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 1myi h THR 70 Cb 1.18 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1myi h THR 70 CO 0.09 0.27 0.06 0.00 0.37 0.00 0.00 175.52 176.31 1myi h ALA 71 N 0.88 0.22 -0.91 6.16 0.00 -1.32 -2.76 119.26 121.53 1myi h ALA 71 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1myi h ALA 71 Cb 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1myi h ALA 71 CO 0.01 -0.19 0.52 1.25 0.00 0.00 0.00 179.25 180.84 1myi h LEU 72 N 0.11 1.11 -1.17 0.00 5.85 -1.05 -2.87 115.31 117.30 1myi h LEU 72 Ca 0.06 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1myi h LEU 72 Cb 0.19 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1myi h LEU 72 CO -0.00 0.87 0.58 1.23 -0.34 0.00 0.00 178.44 180.77 1myi h GLY 73 N 1.26 1.27 1.22 3.75 0.00 -1.19 -1.32 103.07 108.07 1myi h GLY 73 Ca 0.32 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1myi h GLY 73 CO -0.06 0.31 -0.10 -1.33 0.00 0.00 0.00 176.54 175.37 1myi h GLY 74 N 1.02 0.99 0.71 4.60 0.00 -1.27 -1.97 103.07 107.15 1myi h GLY 74 Ca 0.37 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1myi h GLY 74 CO -0.13 0.71 -0.04 -2.22 0.00 0.00 0.00 176.54 174.86 1myi h ILE 75 N 0.82 1.30 -0.73 2.60 2.04 -1.26 -3.26 117.51 119.03 1myi h ILE 75 Ca 0.13 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1myi h ILE 75 Cb 0.63 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1myi h ILE 75 CO 0.04 0.29 0.44 -0.07 0.00 0.00 0.00 178.15 178.85 1myi h LEU 76 N -0.12 0.86 -1.66 1.44 3.38 -1.17 -2.54 115.31 115.51 1myi h LEU 76 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1myi h LEU 76 Cb 0.47 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1myi h LEU 76 CO 0.01 0.66 0.00 0.11 0.09 0.00 0.00 178.44 179.31 1myi h LYS 77 N 1.00 0.00 0.00 1.13 1.57 -1.40 -1.29 116.57 117.57 1myi h LYS 77 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1myi h LYS 77 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1myi h LYS 77 CO -0.05 0.00 -0.29 1.63 -0.57 0.00 0.00 179.45 180.17 1myi n LYS 78 N -2.60 0.02 -3.98 3.15 4.76 -0.96 -4.96 118.16 113.60 1myi n LYS 78 Ca -0.01 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.18 1myi n LYS 78 Cb 0.14 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.79 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 -1.56 -3.36 0.00 1.97 5.02 -0.49 -1.11 118.16 118.64 1myi n LYS 79 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1myi n LYS 79 Cb 0.35 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.73 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 -1.91 3.27 2.84 0.72 0.00 -1.26 -4.95 105.19 103.89 1myi n GLY 80 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.22 2.50 -0.50 1.61 8.25 -0.26 -4.73 115.22 120.87 1myi n HIS 81 Ca 0.00 -2.63 0.05 0.00 -0.26 0.00 0.00 57.72 54.89 1myi n HIS 81 Cb 0.00 -1.42 0.11 0.00 1.12 0.00 0.00 29.99 29.80 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 1.49 0.24 -0.36 4.41 1.44 -1.26 -4.82 115.22 116.36 1myi n HIS 82 Ca 0.37 -0.70 -0.01 0.00 -2.01 0.00 0.00 57.72 55.37 1myi n HIS 82 Cb 0.31 -0.12 0.04 0.00 0.12 0.00 0.00 29.99 30.35 1myi n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1myi n GLU 83 N -0.58 -0.21 0.06 -1.40 -0.58 -1.26 -0.27 120.64 116.40 1myi n GLU 83 Ca 0.10 1.43 -0.03 0.00 -0.42 0.00 0.00 57.16 58.24 1myi n GLU 83 Cb 0.50 -2.12 0.21 0.00 -0.57 0.00 0.00 31.44 29.46 1myi n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1myi h ALA 84 N 1.31 1.09 0.00 0.62 0.00 -2.01 -0.19 119.26 120.08 1myi h ALA 84 Ca 0.33 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1myi h ALA 84 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1myi h ALA 84 CO -0.92 0.58 -0.92 0.93 0.00 0.00 0.00 179.25 178.91 1myi h GLU 85 N 0.30 0.00 0.11 0.00 3.07 -1.54 -3.36 114.58 113.16 1myi h GLU 85 Ca 0.04 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.63 1myi h GLU 85 Cb 0.76 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1myi h GLU 85 CO 0.06 0.92 -1.21 1.25 -1.40 0.00 0.00 179.01 178.63 1myi h LEU 86 N 0.00 0.35 -0.26 1.33 5.85 -0.36 -3.38 115.31 118.83 1myi h LEU 86 Ca -0.01 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.38 1myi h LEU 86 Cb 1.67 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 1myi h LEU 86 CO 0.12 1.30 -0.04 0.74 -0.34 0.00 0.00 178.44 180.22 1myi h THR 87 N 0.06 0.76 -0.47 1.05 2.02 -1.18 -1.57 112.91 113.58 1myi h THR 87 Ca -0.12 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 67.13 1myi h THR 87 Cb 1.94 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 1myi h THR 87 CO 0.19 0.01 0.32 -0.65 0.37 0.00 0.00 175.52 175.75 1myi h PRO 88 N 0.03 0.31 0.04 6.66 0.11 -1.78 0.30 132.00 137.67 1myi h PRO 88 Ca 0.13 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.95 1myi h PRO 88 Cb 0.18 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.24 1myi h PRO 88 CO -0.25 0.21 -1.09 1.25 -0.21 0.00 0.00 178.00 177.91 1myi h LEU 89 N 0.32 0.76 -0.17 2.35 5.85 -1.53 -1.54 115.31 121.35 1myi h LEU 89 Ca 0.21 -0.65 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1myi h LEU 89 Cb 0.43 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1myi h LEU 89 CO -0.05 1.46 -0.12 0.00 -0.34 0.00 0.00 178.44 179.39 1myi h ALA 90 N 0.48 0.25 0.48 1.25 0.00 -0.62 -1.75 119.26 119.35 1myi h ALA 90 Ca -0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1myi h ALA 90 Cb 1.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1myi h ALA 90 CO 0.20 0.10 -0.33 1.96 0.00 0.00 0.00 179.25 181.18 1myi h GLN 91 N 0.05 -0.76 -0.75 0.00 4.20 -0.40 -2.51 115.11 114.94 1myi h GLN 91 Ca 0.03 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1myi h GLN 91 Cb 0.62 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 1myi h GLN 91 CO 0.03 -0.51 0.45 0.66 -0.67 0.00 0.00 178.83 178.80 1myi h SER 92 N -0.79 0.90 0.21 1.46 4.64 -1.25 -2.66 113.55 116.06 1myi h SER 92 Ca -0.05 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.06 1myi h SER 92 Cb 0.66 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1myi h SER 92 CO 0.03 0.69 -0.61 0.45 -0.87 0.00 0.00 176.83 176.52 1myi h HIS 93 N 1.04 0.51 0.01 4.77 3.86 -1.27 0.70 115.15 124.77 1myi h HIS 93 Ca 0.27 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1myi h HIS 93 Cb -0.04 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1myi h HIS 93 CO 0.00 0.90 -0.00 0.00 0.86 0.00 0.00 177.93 179.69 1myi h ALA 94 N 1.05 -0.01 0.00 2.45 0.00 -1.46 0.51 119.26 121.81 1myi h ALA 94 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1myi h ALA 94 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1myi h ALA 94 CO 0.10 -0.09 -1.94 0.25 0.00 0.00 0.00 179.25 177.57 1myi n THR 95 N -4.70 0.63 -0.02 0.00 -2.24 -1.00 -3.77 114.28 103.18 1myi n THR 95 Ca -0.09 -0.64 -0.03 0.00 -2.27 0.00 0.00 64.05 61.03 1myi n THR 95 Cb 0.39 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 1myi n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1myi n LYS 96 N -2.53 0.07 0.11 -0.78 4.81 0.20 -4.70 118.16 115.35 1myi n LYS 96 Ca -0.13 0.02 0.11 0.00 -0.87 0.00 0.00 58.31 57.44 1myi n LYS 96 Cb 0.78 -0.88 0.02 0.00 0.02 0.00 0.00 35.03 34.96 1myi n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1myi h HIS 97 N -0.05 0.00 -6.10 5.64 3.86 0.20 -3.49 115.15 115.22 1myi h HIS 97 Ca -0.07 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.75 1myi h HIS 97 Cb 1.09 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.66 1myi h HIS 97 CO -0.00 0.05 -0.89 1.63 0.86 0.00 0.00 177.93 179.58 1myi n LYS 98 N -2.76 -1.36 -3.46 2.45 5.02 0.30 -4.98 118.16 113.37 1myi n LYS 98 Ca -0.00 0.57 -0.41 0.00 -2.02 0.00 0.00 58.31 56.45 1myi n LYS 98 Cb 0.57 -4.36 -0.10 0.00 -0.02 0.00 0.00 35.03 31.12 1myi n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1myi s ILE 99 N -3.41 5.22 0.84 -0.18 -1.09 0.15 -4.99 121.20 117.74 1myi s ILE 99 Ca 0.44 -0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.58 1myi s ILE 99 Cb -0.14 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.03 1myi s ILE 99 CO 0.84 -0.10 1.15 -2.16 -1.23 0.00 0.00 174.94 173.44 1myi s PRO 100 N 1.87 1.56 0.39 2.79 0.04 -1.26 -4.71 135.00 135.67 1myi s PRO 100 Ca 0.09 1.53 0.19 0.00 0.04 0.00 0.00 61.00 62.84 1myi s PRO 100 Cb -0.17 -1.79 0.74 0.00 0.04 0.00 0.00 34.50 33.32 1myi s PRO 100 CO 0.11 -2.22 1.77 -0.39 0.04 0.00 0.00 177.00 176.30 1myi h VAL 101 N -1.31 0.89 0.00 -0.36 -1.51 0.14 -2.32 116.25 111.78 1myi h VAL 101 Ca -0.44 -1.42 -0.02 0.00 -1.23 0.00 0.00 66.70 63.59 1myi h VAL 101 Cb 1.27 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.29 1myi h VAL 101 CO 0.46 0.35 -0.08 0.07 -1.23 0.00 0.00 177.57 177.13 1myi h LYS 102 N 0.00 0.00 -0.02 5.19 2.10 -1.93 0.15 116.57 122.06 1myi h LYS 102 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1myi h LYS 102 Cb 0.83 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1myi h LYS 102 CO 0.05 0.08 -0.36 1.88 -2.00 0.00 0.00 179.45 179.10 1myi h TYR 103 N 0.00 0.03 0.00 0.07 -1.99 -1.76 -1.98 116.97 111.35 1myi h TYR 103 Ca -0.00 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 1myi h TYR 103 Cb 0.40 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1myi h TYR 103 CO 0.00 0.39 -0.31 -0.07 -0.00 0.00 0.00 178.16 178.17 1myi h LEU 104 N 0.03 0.00 -0.31 3.88 3.38 -1.00 -2.52 115.31 118.76 1myi h LEU 104 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1myi h LEU 104 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1myi h LEU 104 CO 0.05 0.31 -0.51 -0.08 0.09 0.00 0.00 178.44 178.30 1myi h GLU 105 N 0.00 0.90 -0.28 1.13 4.81 -1.30 -1.88 114.58 117.97 1myi h GLU 105 Ca -0.00 -0.55 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 1myi h GLU 105 Cb 0.57 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1myi h GLU 105 CO 0.04 1.19 -0.17 0.74 -0.73 0.00 0.00 179.01 180.08 1myi h PHE 106 N 0.70 0.54 -0.06 0.92 0.04 -1.10 -1.47 116.94 116.52 1myi h PHE 106 Ca 0.02 -0.09 -0.16 0.00 2.80 0.00 0.00 57.97 60.54 1myi h PHE 106 Cb 1.12 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1myi h PHE 106 CO 0.07 0.65 -0.65 0.97 -0.60 0.00 0.00 178.31 178.75 1myi h ILE 107 N 0.45 1.40 -0.50 -0.55 2.10 -1.39 -2.47 117.51 116.55 1myi h ILE 107 Ca 0.08 -2.08 0.03 0.00 1.08 0.00 0.00 64.86 63.97 1myi h ILE 107 Cb 0.56 2.07 -0.04 0.00 -1.09 0.00 0.00 36.82 38.32 1myi h ILE 107 CO 0.04 0.61 0.28 0.28 -1.08 0.00 0.00 178.15 178.29 1myi h SER 108 N 0.18 0.44 -0.23 2.19 0.02 -0.93 0.41 113.55 115.63 1myi h SER 108 Ca -0.01 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1myi h SER 108 Cb 1.18 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1myi h SER 108 CO 0.10 0.31 -0.15 1.05 -1.14 0.00 0.00 176.83 177.01 1myi h GLU 109 N 0.56 0.64 -0.66 3.45 4.11 -1.15 -0.82 114.58 120.71 1myi h GLU 109 Ca 0.21 -0.21 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 1myi h GLU 109 Cb 0.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1myi h GLU 109 CO -0.12 0.76 0.08 0.00 0.07 0.00 0.00 179.01 179.81 1myi h ALA 110 N 1.26 0.88 -0.24 1.06 0.00 -0.94 -0.36 119.26 120.92 1myi h ALA 110 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1myi h ALA 110 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1myi h ALA 110 CO 0.04 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.90 1myi h ILE 111 N 1.03 1.00 -0.73 0.00 2.04 -0.64 0.13 117.51 120.35 1myi h ILE 111 Ca 0.20 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1myi h ILE 111 Cb 0.48 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1myi h ILE 111 CO 0.02 0.05 0.32 0.40 0.00 0.00 0.00 178.15 178.94 1myi h ILE 112 N 0.26 1.24 -0.63 -0.67 2.04 -0.87 -1.81 117.51 117.08 1myi h ILE 112 Ca 0.10 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1myi h ILE 112 Cb 0.02 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1myi h ILE 112 CO -0.06 0.29 0.28 1.56 0.00 0.00 0.00 178.15 180.22 1myi h GLN 113 N 1.04 0.90 -0.20 2.37 4.20 -0.71 -1.65 115.11 121.06 1myi h GLN 113 Ca 0.25 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1myi h GLN 113 Cb 0.15 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1myi h GLN 113 CO -0.03 0.71 -0.00 0.28 -0.67 0.00 0.00 178.83 179.12 1myi h VAL 114 N 0.89 1.26 -0.84 -0.54 2.07 -0.26 -1.16 116.25 117.66 1myi h VAL 114 Ca 0.22 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1myi h VAL 114 Cb 0.13 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1myi h VAL 114 CO -0.02 0.27 0.53 -0.07 0.02 0.00 0.00 177.57 178.30 1myi h LEU 115 N 0.11 0.86 -0.20 2.57 3.38 -1.15 -0.41 115.31 120.47 1myi h LEU 115 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1myi h LEU 115 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1myi h LEU 115 CO 0.01 0.58 0.02 -0.61 0.09 0.00 0.00 178.44 178.53 1myi h GLN 116 N 1.01 0.35 -0.40 1.13 5.75 -1.25 0.21 115.11 121.92 1myi h GLN 116 Ca 0.35 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 1myi h GLN 116 Cb 0.08 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1myi h GLN 116 CO -0.14 0.52 0.17 0.77 -2.65 0.00 0.00 178.83 177.50 1myi h SER 117 N 0.13 0.54 0.81 -0.69 0.02 -1.00 -3.13 113.55 110.23 1myi h SER 117 Ca 0.06 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 60.70 1myi h SER 117 Cb 0.35 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1myi h SER 117 CO 0.01 0.55 -1.29 0.11 -1.14 0.00 0.00 176.83 175.07 1myi h LYS 118 N 0.50 0.00 -1.51 3.45 1.57 -1.10 -3.41 116.57 116.07 1myi h LYS 118 Ca 0.13 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.45 1myi h LYS 118 Cb 0.17 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.07 1myi h LYS 118 CO -0.01 0.32 -1.02 0.72 -0.57 0.00 0.00 179.45 178.88 1myi n HIS 119 N -2.93 1.80 -0.27 -1.35 8.25 0.75 -4.96 115.22 116.51 1myi n HIS 119 Ca -0.08 -3.25 -0.04 0.00 -0.26 0.00 0.00 57.72 54.09 1myi n HIS 119 Cb 0.82 -0.33 0.07 0.00 1.12 0.00 0.00 29.99 31.67 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 0.97 -0.38 -0.41 0.13 -1.66 0.42 132.00 133.97 1myi h PRO 120 Ca 0.07 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1myi h PRO 120 Cb 0.99 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1myi h PRO 120 CO 0.62 0.64 0.25 0.78 -0.23 0.00 0.00 178.00 180.06 1myi h GLY 121 N 1.00 0.50 0.00 1.56 0.00 -1.93 -2.54 103.07 101.66 1myi h GLY 121 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1myi h GLY 121 CO -0.07 0.17 -0.97 1.22 0.00 0.00 0.00 176.54 176.89 1myi n ASP 122 N -4.48 0.88 -3.71 0.19 8.00 -0.74 -4.66 116.55 112.02 1myi n ASP 122 Ca 0.03 -0.65 -0.38 0.00 0.71 0.00 0.00 54.79 54.49 1myi n ASP 122 Cb 0.10 1.18 -0.01 0.00 -0.02 0.00 0.00 41.12 42.37 1myi n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1myi n PHE 123 N -1.53 2.77 -0.97 1.24 7.35 0.14 -4.84 117.46 121.62 1myi n PHE 123 Ca 0.01 -2.94 -0.00 0.00 -0.76 0.00 0.00 57.45 53.76 1myi n PHE 123 Cb 0.28 -1.06 0.00 0.00 0.35 0.00 0.00 39.48 39.05 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 0.70 -1.23 0.24 7.13 0.00 -1.26 -4.60 105.19 106.17 1myi n GLY 124 Ca 0.33 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 0.80 -0.01 4.61 0.00 -1.96 0.30 119.26 121.01 1myi h ALA 125 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1myi h ALA 125 Cb 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1myi h ALA 125 CO 0.00 -0.19 0.00 -0.44 0.00 0.00 0.00 179.25 178.63 1myi h ASP 126 N 0.42 0.02 -0.72 0.00 5.19 -1.98 -0.61 116.42 118.73 1myi h ASP 126 Ca 0.31 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1myi h ASP 126 Cb 0.39 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 1myi h ASP 126 CO -0.31 0.31 0.31 0.00 -3.12 0.00 0.00 179.24 176.43 1myi h ALA 127 N 0.71 0.93 -0.31 3.45 0.00 -1.84 -1.47 119.26 120.72 1myi h ALA 127 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1myi h ALA 127 Cb 0.30 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1myi h ALA 127 CO 0.00 0.53 0.07 1.96 0.00 0.00 0.00 179.25 181.82 1myi h GLN 128 N 1.02 0.19 -0.67 0.00 4.20 -0.22 0.07 115.11 119.70 1myi h GLN 128 Ca 0.24 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1myi h GLN 128 Cb 0.18 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1myi h GLN 128 CO -0.02 0.12 0.20 0.78 -0.67 0.00 0.00 178.83 179.24 1myi h GLY 129 N 0.19 1.12 0.88 3.46 0.00 -0.82 -1.26 103.07 106.63 1myi h GLY 129 Ca 0.14 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1myi h GLY 129 CO -0.18 0.61 0.04 0.00 0.00 0.00 0.00 176.54 177.01 1myi h ALA 130 N 1.21 0.38 -1.00 3.60 0.00 -0.95 -1.95 119.26 120.55 1myi h ALA 130 Ca 0.22 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1myi h ALA 130 Cb 0.30 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1myi h ALA 130 CO -0.01 0.08 0.64 1.98 0.00 0.00 0.00 179.25 181.94 1myi h MET 131 N 0.29 1.10 -0.08 0.00 -1.53 -0.90 -1.53 114.93 112.28 1myi h MET 131 Ca 0.09 -0.07 -0.14 0.00 -3.44 0.00 0.00 59.70 56.14 1myi h MET 131 Cb 0.35 -0.25 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 1myi h MET 131 CO 0.01 0.73 -0.58 1.03 0.14 0.00 0.00 176.91 178.23 1myi h SER 132 N 1.13 0.30 0.42 1.39 0.87 -1.06 -0.95 113.55 115.65 1myi h SER 132 Ca 0.45 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 1myi h SER 132 Cb 0.24 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1myi h SER 132 CO -0.19 0.81 -0.49 0.11 -0.53 0.00 0.00 176.83 176.54 1myi h LYS 133 N 0.20 0.09 -0.26 2.24 1.57 -0.97 0.19 116.57 119.62 1myi h LYS 133 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1myi h LYS 133 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1myi h LYS 133 CO 0.09 0.56 0.05 0.00 -0.57 0.00 0.00 179.45 179.58 1myi h ALA 134 N 1.43 0.35 -0.10 3.86 0.00 -1.11 -0.14 119.26 123.55 1myi h ALA 134 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1myi h ALA 134 Cb 0.89 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1myi h ALA 134 CO 0.07 0.02 -0.70 -0.07 0.00 0.00 0.00 179.25 178.57 1myi h LEU 135 N 0.25 0.52 -1.15 0.00 3.38 -1.06 -2.66 115.31 114.60 1myi h LEU 135 Ca 0.08 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1myi h LEU 135 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1myi h LEU 135 CO 0.00 1.06 0.16 -0.33 0.09 0.00 0.00 178.44 179.43 1myi h GLU 136 N 0.31 0.76 -0.15 1.13 5.08 -0.67 -1.99 114.58 119.05 1myi h GLU 136 Ca -0.02 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1myi h GLU 136 Cb 1.26 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1myi h GLU 136 CO 0.12 0.66 -0.05 1.25 -1.00 0.00 0.00 179.01 179.99 1myi h LEU 137 N 0.75 -0.18 0.13 1.33 5.85 -0.88 -0.64 115.31 121.68 1myi h LEU 137 Ca 0.17 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1myi h LEU 137 Cb 0.22 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1myi h LEU 137 CO -0.01 -0.07 -0.27 0.15 -0.34 0.00 0.00 178.44 177.90 1myi h PHE 138 N -0.02 -0.73 -0.31 1.25 3.57 -1.19 0.22 116.94 119.72 1myi h PHE 138 Ca 0.08 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1myi h PHE 138 Cb 0.14 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1myi h PHE 138 CO -0.20 -0.38 0.02 0.00 -2.23 0.00 0.00 178.31 175.52 1myi h ARG 139 N -0.49 0.11 -0.29 1.11 3.08 -1.16 -1.75 114.38 114.99 1myi h ARG 139 Ca 0.03 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1myi h ARG 139 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1myi h ARG 139 CO -0.15 0.07 0.15 -0.91 -1.07 0.00 0.00 179.97 178.06 1myi h ASN 140 N 0.11 0.23 -0.31 7.04 -0.26 -0.93 0.79 115.58 122.26 1myi h ASN 140 Ca 0.15 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.84 1myi h ASN 140 Cb 0.19 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 1myi h ASN 140 CO -0.24 0.17 0.00 0.44 -1.06 0.00 0.00 177.43 176.75 1myi h ASP 141 N 0.32 0.61 -0.16 5.81 5.19 -0.63 -2.39 116.42 125.18 1myi h ASP 141 Ca 0.12 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1myi h ASP 141 Cb 0.03 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.37 1myi h ASP 141 CO -0.08 0.68 -0.15 0.24 -3.12 0.00 0.00 179.24 176.81 1myi h MET 142 N 0.61 0.38 -0.47 3.56 2.86 -0.85 -2.06 114.93 118.97 1myi h MET 142 Ca 0.13 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1myi h MET 142 Cb 0.38 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1myi h MET 142 CO 0.01 0.75 0.31 0.00 1.06 0.00 0.00 176.91 179.05 1myi h ALA 143 N 0.62 1.67 -0.62 6.32 0.00 0.87 -1.03 119.26 127.09 1myi h ALA 143 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1myi h ALA 143 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1myi h ALA 143 CO 0.04 0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.65 1myi h ALA 144 N 1.71 0.93 -0.53 0.00 0.00 -1.28 -2.12 119.26 117.97 1myi h ALA 144 Ca 0.17 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1myi h ALA 144 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1myi h ALA 144 CO -0.04 0.65 -0.12 0.87 0.00 0.00 0.00 179.25 180.61 1myi h LYS 145 N 0.97 1.00 0.38 0.00 1.79 -0.90 -2.80 116.57 117.01 1myi h LYS 145 Ca 0.18 -0.37 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1myi h LYS 145 Cb 0.48 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1myi h LYS 145 CO 0.02 1.05 -0.38 1.88 -1.08 0.00 0.00 179.45 180.94 1myi h TYR 146 N 0.89 -1.03 -0.92 -1.35 -1.99 -0.74 -1.75 116.97 110.08 1myi h TYR 146 Ca 0.14 0.01 0.15 0.00 2.00 0.00 0.00 58.73 61.02 1myi h TYR 146 Cb 0.68 0.40 -0.08 0.00 2.00 0.00 0.00 36.73 39.74 1myi h TYR 146 CO 0.04 -0.53 0.59 0.87 -0.00 0.00 0.00 178.16 179.14 1myi h LYS 147 N -0.79 0.71 0.00 4.88 1.79 -1.35 0.35 116.57 122.17 1myi h LYS 147 Ca -0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1myi h LYS 147 Cb 0.70 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1myi h LYS 147 CO -0.06 0.47 -0.31 -0.85 -1.08 0.00 0.00 179.45 177.62 1myi n GLU 148 N -4.59 0.10 0.00 3.15 0.28 -1.06 -2.60 120.64 115.92 1myi n GLU 148 Ca 0.18 0.05 0.13 0.00 -0.16 0.00 0.00 57.16 57.36 1myi n GLU 148 Cb 0.47 -1.58 0.45 0.00 1.43 0.00 0.00 31.44 32.21 1myi n GLU 148 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1myi n LEU 149 N -1.74 0.24 -1.09 -1.84 4.77 0.00 -4.92 117.00 112.42 1myi n LEU 149 Ca 0.05 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1myi n LEU 149 Cb 0.37 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1myi n LEU 149 CO 0.32 0.06 0.02 0.61 -1.33 0.00 0.00 177.39 177.07 1myi n GLY 150 N 1.49 0.55 3.51 -0.72 0.00 -0.80 -5.07 105.19 104.16 1myi n GLY 150 Ca 0.07 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1myi n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1myi s PHE 151 N -3.04 1.81 0.00 1.61 0.40 -0.54 -4.97 117.98 113.25 1myi s PHE 151 Ca 0.03 -1.21 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1myi s PHE 151 Cb -0.01 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.32 1myi s PHE 151 CO 0.09 -0.22 0.00 0.94 0.70 0.00 0.00 175.22 176.72 1myi n GLN 152 N -0.89 0.00 0.00 0.44 7.27 -1.26 -3.16 117.38 119.78 1myi n GLN 152 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 1myi n GLN 152 Cb 0.65 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.31 1myi n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54