#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yca s LEU 2 N 0.00 3.81 0.69 0.99 1.02 -1.26 -5.11 118.68 118.83 1yca s LEU 2 Ca 0.00 -0.27 -0.11 0.00 0.02 0.00 0.00 54.13 53.77 1yca s LEU 2 Cb 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 46.19 43.85 1yca s LEU 2 CO 0.00 -0.08 1.08 -0.94 0.02 0.00 0.00 176.35 176.43 1yca s SER 3 N -3.87 5.58 0.44 2.29 1.04 -1.26 -4.83 113.70 113.09 1yca s SER 3 Ca 0.34 1.22 0.10 0.00 0.48 0.00 0.00 55.95 58.09 1yca s SER 3 Cb -0.08 -2.07 0.98 0.00 0.10 0.00 0.00 66.02 64.96 1yca s SER 3 CO 0.25 -1.27 2.08 0.44 0.98 0.00 0.00 173.24 175.73 1yca h ASP 4 N -0.60 0.33 -0.06 7.02 3.32 -1.99 -1.53 116.42 122.91 1yca h ASP 4 Ca -0.45 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1yca h ASP 4 Cb 1.24 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1yca h ASP 4 CO 0.63 0.24 0.02 1.23 -1.72 0.00 0.00 179.24 179.64 1yca h GLY 5 N 0.39 0.10 0.77 2.75 0.00 -1.99 -1.19 103.07 103.90 1yca h GLY 5 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1yca h GLY 5 CO -0.03 0.05 -0.44 0.83 0.00 0.00 0.00 176.54 176.96 1yca h GLU 6 N -0.07 -1.00 -0.97 4.80 5.08 -1.71 -0.91 114.58 119.80 1yca h GLU 6 Ca 0.02 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.72 1yca h GLU 6 Cb 0.18 0.23 -0.14 0.00 0.50 0.00 0.00 28.75 29.52 1yca h GLU 6 CO -0.00 -0.67 0.50 -1.49 -1.00 0.00 0.00 179.01 176.35 1yca h TRP 7 N -1.04 0.82 -0.49 4.33 4.06 -1.32 0.18 115.95 122.49 1yca h TRP 7 Ca -0.08 0.04 -0.09 0.00 2.06 0.00 0.00 58.89 60.82 1yca h TRP 7 Cb 0.86 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1yca h TRP 7 CO -0.13 -0.10 -0.04 0.37 -3.56 0.00 0.00 178.44 174.98 1yca h GLN 8 N 0.39 0.90 -0.99 0.49 5.75 0.09 0.10 115.11 121.83 1yca h GLN 8 Ca 0.66 -0.31 0.06 0.00 -0.15 0.00 0.00 58.65 58.91 1yca h GLN 8 Cb 1.37 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.79 1yca h GLN 8 CO -0.57 0.95 0.64 -0.07 -2.65 0.00 0.00 178.83 177.13 1yca h LEU 9 N 0.75 1.02 0.54 -2.39 3.38 0.27 -2.00 115.31 116.89 1yca h LEU 9 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1yca h LEU 9 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1yca h LEU 9 CO 0.03 0.65 -0.38 0.58 0.09 0.00 0.00 178.44 179.42 1yca h VAL 10 N 1.16 0.00 -0.08 1.22 2.07 -0.53 -1.56 116.25 118.53 1yca h VAL 10 Ca 0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.94 1yca h VAL 10 Cb 0.16 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1yca h VAL 10 CO -0.17 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.35 1yca h LEU 11 N -0.87 0.10 -0.35 2.57 3.38 -0.72 -1.76 115.31 117.66 1yca h LEU 11 Ca -0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1yca h LEU 11 Cb 0.71 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1yca h LEU 11 CO 0.05 0.12 -0.29 0.78 0.09 0.00 0.00 178.44 179.18 1yca h ASN 12 N 0.11 0.86 -0.41 -0.43 -0.26 -1.13 -2.30 115.58 112.04 1yca h ASN 12 Ca 0.03 -0.45 -0.14 0.00 -0.56 0.00 0.00 56.30 55.18 1yca h ASN 12 Cb 0.07 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1yca h ASN 12 CO 0.00 1.13 -0.29 0.58 -1.06 0.00 0.00 177.43 177.79 1yca h VAL 13 N 0.60 1.27 0.00 2.81 2.07 -1.16 -2.97 116.25 118.88 1yca h VAL 13 Ca 0.06 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1yca h VAL 13 Cb 0.87 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1yca h VAL 13 CO 0.08 0.49 -0.07 -0.25 0.02 0.00 0.00 177.57 177.84 1yca h TRP 14 N 0.79 0.00 -0.30 1.57 2.91 -1.23 -2.62 115.95 117.07 1yca h TRP 14 Ca 0.09 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.15 1yca h TRP 14 Cb 0.87 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 1yca h TRP 14 CO 0.05 0.07 0.05 0.78 -1.03 0.00 0.00 178.44 178.37 1yca h GLY 15 N 0.28 0.33 1.15 2.65 0.00 -1.24 0.17 103.07 106.42 1yca h GLY 15 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.37 1yca h GLY 15 CO 0.01 -0.02 0.42 0.50 0.00 0.00 0.00 176.54 177.45 1yca h LYS 16 N 0.16 0.64 -0.28 4.80 1.79 -1.58 0.30 116.57 122.39 1yca h LYS 16 Ca 0.14 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 1yca h LYS 16 Cb 0.15 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1yca h LYS 16 CO -0.19 0.42 -0.26 0.28 -1.08 0.00 0.00 179.45 178.62 1yca h VAL 17 N 0.66 1.27 0.00 0.50 2.07 -1.00 -3.00 116.25 116.75 1yca h VAL 17 Ca 0.27 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1yca h VAL 17 Cb 0.24 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1yca h VAL 17 CO -0.08 0.43 -0.04 -0.33 0.02 0.00 0.00 177.57 177.56 1yca h GLU 18 N 0.49 0.00 0.00 1.57 5.08 0.14 0.76 114.58 122.62 1yca h GLU 18 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1yca h GLU 18 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1yca h GLU 18 CO 0.05 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1yca n ALA 19 N -2.13 2.21 -2.71 3.43 0.00 -0.34 -4.41 120.51 116.56 1yca n ALA 19 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1yca n ALA 19 Cb 0.27 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.40 1yca n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yca n ASP 20 N -1.30 -2.19 -0.03 0.00 2.03 0.19 -5.06 116.55 110.19 1yca n ASP 20 Ca 0.11 -2.66 -0.13 0.00 0.52 0.00 0.00 54.79 52.63 1yca n ASP 20 Cb 0.19 1.36 -0.09 0.00 -0.72 0.00 0.00 41.12 41.87 1yca n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1yca h VAL 21 N 2.25 1.38 -0.79 5.18 2.07 -1.58 -2.43 116.25 122.33 1yca h VAL 21 Ca -0.19 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 1yca h VAL 21 Cb 1.11 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1yca h VAL 21 CO 0.10 0.36 0.49 0.00 0.02 0.00 0.00 177.57 178.53 1yca h ALA 22 N 0.54 1.36 -0.00 1.67 0.00 -1.88 1.19 119.26 122.13 1yca h ALA 22 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yca h ALA 22 Cb 0.61 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yca h ALA 22 CO 0.02 0.56 0.00 0.78 0.00 0.00 0.00 179.25 180.61 1yca h GLY 23 N 1.11 0.01 1.27 0.00 0.00 -1.89 0.55 103.07 104.12 1yca h GLY 23 Ca 0.29 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 1yca h GLY 23 CO -0.06 0.00 0.04 0.45 0.00 0.00 0.00 176.54 176.98 1yca h HIS 24 N -0.20 0.94 -0.52 5.60 3.86 -1.13 -2.77 115.15 120.93 1yca h HIS 24 Ca 0.00 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 1yca h HIS 24 Cb 0.21 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1yca h HIS 24 CO -0.00 0.84 0.14 0.78 0.86 0.00 0.00 177.93 180.54 1yca h GLY 25 N 1.00 0.88 0.90 2.45 0.00 0.20 0.18 103.07 108.68 1yca h GLY 25 Ca 0.16 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1yca h GLY 25 CO 0.02 0.51 -0.39 -1.61 0.00 0.00 0.00 176.54 175.07 1yca h GLN 26 N 0.72 -0.97 -0.96 4.80 4.15 0.07 -1.10 115.11 121.82 1yca h GLN 26 Ca 0.16 0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.75 1yca h GLN 26 Cb 0.31 0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.15 1yca h GLN 26 CO -0.00 -0.65 0.61 0.93 -1.93 0.00 0.00 178.83 177.80 1yca h GLU 27 N -1.01 0.94 -0.43 1.69 5.08 -1.37 -0.90 114.58 118.58 1yca h GLU 27 Ca -0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1yca h GLU 27 Cb 0.80 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1yca h GLU 27 CO 0.12 0.62 0.23 0.28 -1.00 0.00 0.00 179.01 179.26 1yca h VAL 28 N 0.97 1.16 -0.73 3.13 2.07 -0.30 0.12 116.25 122.67 1yca h VAL 28 Ca 0.45 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1yca h VAL 28 Cb 0.42 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1yca h VAL 28 CO -0.21 0.17 0.23 -0.07 0.02 0.00 0.00 177.57 177.71 1yca h LEU 29 N 0.57 1.06 -0.98 2.57 3.38 -0.36 -1.37 115.31 120.17 1yca h LEU 29 Ca 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1yca h LEU 29 Cb 0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1yca h LEU 29 CO -0.02 0.98 0.43 0.40 0.09 0.00 0.00 178.44 180.31 1yca h ILE 30 N 1.09 1.24 -0.66 1.22 2.04 -0.90 0.31 117.51 121.85 1yca h ILE 30 Ca 0.24 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1yca h ILE 30 Cb 0.30 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1yca h ILE 30 CO -0.01 0.28 0.08 0.03 0.00 0.00 0.00 178.15 178.53 1yca h ARG 31 N 1.15 1.11 -0.01 2.37 3.08 -0.55 0.17 114.38 121.71 1yca h ARG 31 Ca 0.29 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1yca h ARG 31 Cb 0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1yca h ARG 31 CO -0.04 1.03 0.00 1.25 -1.07 0.00 0.00 179.97 181.14 1yca h LEU 32 N 1.03 0.01 -0.27 3.04 5.85 -0.44 -0.71 115.31 123.81 1yca h LEU 32 Ca 0.20 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1yca h LEU 32 Cb 0.48 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1yca h LEU 32 CO 0.02 0.09 0.03 -0.26 -0.34 0.00 0.00 178.44 177.98 1yca h PHE 33 N -0.08 0.49 -0.69 1.25 0.04 -0.82 0.48 116.94 117.61 1yca h PHE 33 Ca 0.00 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 1yca h PHE 33 Cb 0.09 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1yca h PHE 33 CO -0.05 0.58 0.13 0.87 -0.60 0.00 0.00 178.31 179.24 1yca h LYS 34 N 0.26 1.13 0.00 1.51 1.79 -0.67 -3.13 116.57 117.45 1yca h LYS 34 Ca 0.08 -0.29 -0.08 0.00 -2.18 0.00 0.00 60.65 58.17 1yca h LYS 34 Cb 0.36 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1yca h LYS 34 CO 0.01 1.02 -0.84 0.78 -1.08 0.00 0.00 179.45 179.34 1yca h GLY 35 N 1.06 0.00 -6.17 3.86 0.00 -0.89 -3.40 103.07 97.52 1yca h GLY 35 Ca 0.21 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.03 1yca h GLY 35 CO 0.01 0.00 -0.87 0.30 0.00 0.00 0.00 176.54 175.98 1yca s HIS 36 N -3.09 0.54 0.52 5.60 3.76 0.17 -4.99 115.29 117.81 1yca s HIS 36 Ca 0.01 -1.90 0.26 0.00 -0.15 0.00 0.00 55.06 53.28 1yca s HIS 36 Cb 0.08 -0.69 1.38 0.00 1.11 0.00 0.00 32.58 34.46 1yca s HIS 36 CO 0.77 -0.91 1.96 -1.35 -0.85 0.00 0.00 174.74 174.36 1yca h PRO 37 N 5.76 0.05 0.00 8.40 0.11 -1.73 0.10 132.00 144.69 1yca h PRO 37 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1yca h PRO 37 Cb 0.96 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1yca h PRO 37 CO 0.29 0.03 0.00 1.05 -0.21 0.00 0.00 178.00 179.17 1yca h GLU 38 N 0.05 0.00 -0.17 1.05 9.09 -1.91 -1.83 114.58 120.85 1yca h GLU 38 Ca 0.31 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.60 1yca h GLU 38 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 1yca h GLU 38 CO -0.02 0.00 -0.43 1.79 0.05 0.00 0.00 179.01 180.40 1yca h THR 39 N 0.00 1.31 -0.11 -1.06 1.35 -1.11 -3.12 112.91 110.18 1yca h THR 39 Ca 0.00 -1.60 -0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1yca h THR 39 Cb 0.19 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1yca h THR 39 CO 0.00 0.49 0.05 0.25 -0.25 0.00 0.00 175.52 176.06 1yca h LEU 40 N 0.34 0.12 -2.18 3.87 5.85 -1.46 -1.96 115.31 119.90 1yca h LEU 40 Ca 0.03 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1yca h LEU 40 Cb 0.90 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1yca h LEU 40 CO 0.08 0.11 0.17 -0.33 -0.34 0.00 0.00 178.44 178.13 1yca h GLU 41 N 0.14 0.00 0.00 1.25 4.39 -1.68 -1.18 114.58 117.50 1yca h GLU 41 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1yca h GLU 41 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1yca h GLU 41 CO -0.01 0.00 0.00 -0.22 -1.16 0.00 0.00 179.01 177.62 1yca h LYS 42 N 0.00 0.00 -4.69 2.33 1.63 -1.51 -3.41 116.57 110.92 1yca h LYS 42 Ca 0.09 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.19 1yca h LYS 42 Cb 0.44 0.00 -0.29 0.00 -0.60 0.00 0.00 32.23 31.78 1yca h LYS 42 CO -0.00 0.00 -0.61 -0.06 -3.45 0.00 0.00 179.45 175.33 1yca s PHE 43 N -3.51 3.25 0.07 1.91 0.40 -0.45 -4.96 117.98 114.70 1yca s PHE 43 Ca 0.03 -1.42 -0.31 0.00 -0.60 0.00 0.00 56.93 54.63 1yca s PHE 43 Cb 0.09 -2.27 -0.15 0.00 0.51 0.00 0.00 43.02 41.20 1yca s PHE 43 CO 0.53 -0.73 1.48 -0.44 0.70 0.00 0.00 175.22 176.76 1yca h ASP 44 N 8.21 -1.22 0.00 1.36 3.32 -1.84 -0.82 116.42 125.43 1yca h ASP 44 Ca -0.23 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1yca h ASP 44 Cb 1.08 0.41 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1yca h ASP 44 CO 0.60 -0.57 0.74 0.50 -1.72 0.00 0.00 179.24 178.79 1yca h LYS 45 N -0.86 0.00 0.00 3.56 3.64 -1.95 -1.55 116.57 119.41 1yca h LYS 45 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1yca h LYS 45 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1yca h LYS 45 CO -0.07 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.30 1yca n PHE 46 N -2.15 0.00 0.71 1.91 3.72 -0.61 -4.78 117.46 116.27 1yca n PHE 46 Ca -0.00 -0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1yca n PHE 46 Cb 0.75 -0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.63 1yca n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1yca n LYS 47 N -0.00 0.35 -0.15 -1.08 2.85 -0.41 -0.53 118.16 119.19 1yca n LYS 47 Ca 0.00 0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.38 1yca n LYS 47 Cb 0.17 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.33 1yca n LYS 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1yca n HIS 48 N -1.01 0.38 -3.01 5.58 8.25 -1.26 -4.83 115.22 119.31 1yca n HIS 48 Ca 0.08 -0.19 -0.40 0.00 -0.26 0.00 0.00 57.72 56.95 1yca n HIS 48 Cb 0.04 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 1yca n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1yca s LEU 49 N -1.49 4.40 0.00 2.41 1.43 0.31 -4.94 118.68 120.81 1yca s LEU 49 Ca 0.35 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 54.87 1yca s LEU 49 Cb 0.20 -3.16 0.16 0.00 0.03 0.00 0.00 46.19 43.42 1yca s LEU 49 CO 0.28 -0.03 1.02 0.29 0.23 0.00 0.00 176.35 178.15 1yca n LYS 50 N 3.16 1.87 -3.52 1.70 4.76 -1.26 -4.98 118.16 119.88 1yca n LYS 50 Ca -0.02 -1.55 -0.08 0.00 -2.87 0.00 0.00 58.31 53.79 1yca n LYS 50 Cb 0.51 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.50 1yca n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1yca s SER 51 N -0.88 -0.33 0.30 4.39 1.04 -1.26 -4.96 113.70 112.01 1yca s SER 51 Ca 0.14 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.64 1yca s SER 51 Cb 0.08 0.34 0.80 0.00 0.10 0.00 0.00 66.02 67.34 1yca s SER 51 CO 0.11 -0.54 1.64 -0.08 0.98 0.00 0.00 173.24 175.35 1yca h GLU 52 N 2.03 0.20 -0.52 4.02 4.81 -1.98 0.54 114.58 123.68 1yca h GLU 52 Ca -0.20 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1yca h GLU 52 Cb 1.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1yca h GLU 52 CO 0.29 0.13 0.32 -0.44 -0.73 0.00 0.00 179.01 178.58 1yca h ASP 53 N 0.20 0.62 0.39 1.04 5.19 -1.98 0.78 116.42 122.66 1yca h ASP 53 Ca 0.60 -0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.82 1yca h ASP 53 Cb 1.26 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1yca h ASP 53 CO -0.67 0.49 -0.57 -0.33 -3.12 0.00 0.00 179.24 175.03 1yca h GLU 54 N 0.70 0.19 -0.15 3.56 5.08 -0.45 -2.88 114.58 120.63 1yca h GLU 54 Ca 0.19 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1yca h GLU 54 Cb -0.02 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1yca h GLU 54 CO -0.04 0.72 -0.06 0.52 -1.00 0.00 0.00 179.01 179.15 1yca h MET 55 N 0.15 0.31 0.00 2.33 2.86 0.15 -2.81 114.93 117.91 1yca h MET 55 Ca -0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1yca h MET 55 Cb 1.06 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1yca h MET 55 CO 0.09 0.61 -0.04 0.87 1.06 0.00 0.00 176.91 179.50 1yca h LYS 56 N -0.01 0.00 0.00 1.72 1.57 0.61 -2.68 116.57 117.78 1yca h LYS 56 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1yca h LYS 56 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1yca h LYS 56 CO 0.02 0.04 -0.75 0.00 -0.57 0.00 0.00 179.45 178.19 1yca h ALA 57 N 1.96 0.60 -1.84 3.86 0.00 -1.45 -3.46 119.26 118.93 1yca h ALA 57 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1yca h ALA 57 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1yca h ALA 57 CO 0.00 0.00 1.48 0.45 0.00 0.00 0.00 179.25 181.18 1yca s SER 58 N -5.14 5.28 0.33 0.00 0.15 -1.01 -4.86 113.70 108.45 1yca s SER 58 Ca 0.03 1.49 0.17 0.00 0.70 0.00 0.00 55.95 58.33 1yca s SER 58 Cb 0.10 -2.51 0.45 0.00 -1.71 0.00 0.00 66.02 62.35 1yca s SER 58 CO 0.75 -2.16 1.63 1.05 1.20 0.00 0.00 173.24 175.71 1yca h GLU 59 N 15.73 0.00 0.00 5.44 4.11 -1.89 -3.03 114.58 134.93 1yca h GLU 59 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1yca h GLU 59 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1yca h GLU 59 CO 1.04 0.46 0.00 -0.44 0.07 0.00 0.00 179.01 180.14 1yca h ASP 60 N 0.00 0.00 1.25 3.06 3.32 -1.96 -2.78 116.42 119.30 1yca h ASP 60 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1yca h ASP 60 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1yca h ASP 60 CO 0.06 0.00 -0.76 0.25 -1.72 0.00 0.00 179.24 177.07 1yca h LEU 61 N 0.00 0.00 0.11 1.55 6.46 -1.87 -2.64 115.31 118.92 1yca h LEU 61 Ca 0.00 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.47 1yca h LEU 61 Cb 0.79 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1yca h LEU 61 CO 0.00 0.72 -1.26 0.50 -0.62 0.00 0.00 178.44 177.78 1yca h LYS 62 N 0.00 0.45 -0.33 1.25 3.64 -1.40 -0.81 116.57 119.37 1yca h LYS 62 Ca -0.02 -0.67 -0.03 0.00 -1.27 0.00 0.00 60.65 58.66 1yca h LYS 62 Cb 1.56 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.61 1yca h LYS 62 CO 0.09 1.30 0.10 0.87 -2.27 0.00 0.00 179.45 179.54 1yca h LYS 63 N 0.17 0.52 -0.42 1.90 6.56 -1.56 -1.96 116.57 121.78 1yca h LYS 63 Ca -0.17 -0.12 -0.15 0.00 -1.06 0.00 0.00 60.65 59.16 1yca h LYS 63 Cb 1.95 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 33.53 1yca h LYS 63 CO 0.23 0.57 -0.31 1.25 -2.06 0.00 0.00 179.45 179.12 1yca h HIS 64 N 0.38 1.10 -0.39 -1.35 2.76 -1.48 -0.45 115.15 115.72 1yca h HIS 64 Ca 0.11 -0.30 0.04 0.00 -2.20 0.00 0.00 60.37 58.02 1yca h HIS 64 Cb 0.27 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 1yca h HIS 64 CO 0.01 1.12 0.16 0.78 -1.30 0.00 0.00 177.93 178.70 1yca h GLY 65 N 0.84 0.52 0.92 5.26 0.00 -0.90 0.14 103.07 109.84 1yca h GLY 65 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.32 1yca h GLY 65 CO 0.08 0.06 0.04 -0.57 0.00 0.00 0.00 176.54 176.15 1yca h ASN 66 N 0.34 0.04 -0.52 0.19 -0.73 -1.14 -0.81 115.58 112.96 1yca h ASN 66 Ca 0.17 0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.39 1yca h ASN 66 Cb 0.13 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.68 1yca h ASN 66 CO -0.16 0.04 0.29 0.74 -0.37 0.00 0.00 177.43 177.98 1yca h THR 67 N 0.09 1.01 0.58 -3.57 2.02 -0.53 -0.57 112.91 111.95 1yca h THR 67 Ca 0.05 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1yca h THR 67 Cb 0.02 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1yca h THR 67 CO -0.05 0.10 -0.38 0.74 0.37 0.00 0.00 175.52 176.30 1yca h THR 68 N 0.57 0.22 -0.14 3.16 2.02 -0.40 -2.55 112.91 115.79 1yca h THR 68 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 1yca h THR 68 Cb 0.07 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1yca h THR 68 CO -0.12 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.58 1yca h LEU 69 N -0.92 0.21 0.01 2.58 3.38 -1.04 -2.06 115.31 117.47 1yca h LEU 69 Ca -0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1yca h LEU 69 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1yca h LEU 69 CO 0.05 0.35 -0.01 0.74 0.09 0.00 0.00 178.44 179.67 1yca h THR 70 N 0.21 1.09 -0.04 0.22 2.02 -1.03 0.81 112.91 116.19 1yca h THR 70 Ca 0.04 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1yca h THR 70 Cb 0.34 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1yca h THR 70 CO 0.02 0.08 0.01 0.00 0.37 0.00 0.00 175.52 175.99 1yca h ALA 71 N 0.85 0.04 -0.88 6.16 0.00 -1.39 -1.27 119.26 122.77 1yca h ALA 71 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1yca h ALA 71 Cb 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1yca h ALA 71 CO 0.00 -0.47 0.50 1.25 0.00 0.00 0.00 179.25 180.52 1yca h LEU 72 N 0.03 1.09 -1.12 0.00 5.85 -1.02 -0.94 115.31 119.20 1yca h LEU 72 Ca 0.02 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1yca h LEU 72 Cb 0.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1yca h LEU 72 CO -0.03 0.86 0.50 1.23 -0.34 0.00 0.00 178.44 180.67 1yca h GLY 73 N 1.22 1.18 1.94 3.75 0.00 0.17 -1.80 103.07 109.54 1yca h GLY 73 Ca 0.31 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1yca h GLY 73 CO -0.05 0.47 -0.24 -1.33 0.00 0.00 0.00 176.54 175.38 1yca h GLY 74 N 1.14 0.08 0.80 4.60 0.00 -0.12 -2.30 103.07 107.28 1yca h GLY 74 Ca 0.30 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.42 1yca h GLY 74 CO -0.06 0.05 -0.56 -2.22 0.00 0.00 0.00 176.54 173.76 1yca h ILE 75 N 0.07 1.41 -0.37 2.60 2.04 -0.57 -3.29 117.51 119.40 1yca h ILE 75 Ca 0.01 -1.99 0.06 0.00 1.00 0.00 0.00 64.86 63.95 1yca h ILE 75 Cb 0.47 2.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.97 1yca h ILE 75 CO 0.03 0.58 0.03 -0.07 0.00 0.00 0.00 178.15 178.73 1yca h LEU 76 N -0.05 -0.08 -2.37 1.44 3.38 -1.14 -2.25 115.31 114.23 1yca h LEU 76 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yca h LEU 76 Cb 1.25 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1yca h LEU 76 CO 0.11 -0.01 0.02 0.11 0.09 0.00 0.00 178.44 178.76 1yca h LYS 77 N 0.14 0.00 -0.03 1.13 1.57 -1.51 -0.82 116.57 117.05 1yca h LYS 77 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1yca h LYS 77 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1yca h LYS 77 CO -0.28 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.23 1yca n LYS 78 N -3.97 1.21 -4.29 3.15 4.76 -0.85 -4.90 118.16 113.27 1yca n LYS 78 Ca -0.03 -0.31 -0.33 0.00 -2.87 0.00 0.00 58.31 54.77 1yca n LYS 78 Cb 0.10 -1.37 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 1yca n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1yca n LYS 79 N -0.52 -0.86 0.00 1.97 5.02 -0.31 0.22 118.16 123.67 1yca n LYS 79 Ca 0.17 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1yca n LYS 79 Cb 0.15 -3.45 0.00 0.00 -0.02 0.00 0.00 35.03 31.71 1yca n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yca n GLY 80 N -2.53 3.22 2.70 0.72 0.00 -1.26 -4.88 105.19 103.16 1yca n GLY 80 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1yca n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yca n HIS 81 N -1.27 2.62 -0.92 1.61 8.25 0.59 -4.58 115.22 121.52 1yca n HIS 81 Ca 0.00 -2.65 0.08 0.00 -0.26 0.00 0.00 57.72 54.89 1yca n HIS 81 Cb 0.00 -1.45 0.21 0.00 1.12 0.00 0.00 29.99 29.86 1yca n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1yca n HIS 82 N 1.13 0.59 -0.25 4.41 1.44 -1.26 -4.75 115.22 116.54 1yca n HIS 82 Ca 0.45 -0.87 0.01 0.00 -2.01 0.00 0.00 57.72 55.31 1yca n HIS 82 Cb 0.28 -0.24 0.24 0.00 0.12 0.00 0.00 29.99 30.40 1yca n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1yca h GLU 83 N 1.21 1.01 -0.26 -1.40 4.81 -1.97 -1.18 114.58 116.79 1yca h GLU 83 Ca 0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1yca h GLU 83 Cb 1.23 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1yca h GLU 83 CO 0.13 0.67 -0.42 0.00 -0.73 0.00 0.00 179.01 178.66 1yca h ALA 84 N 1.52 0.41 -0.15 2.92 0.00 -2.00 -2.66 119.26 119.30 1yca h ALA 84 Ca 0.31 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1yca h ALA 84 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yca h ALA 84 CO -0.08 0.53 -0.30 0.93 0.00 0.00 0.00 179.25 180.32 1yca h GLU 85 N 0.49 0.29 0.00 0.00 3.07 -1.88 -3.23 114.58 113.32 1yca h GLU 85 Ca 0.02 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1yca h GLU 85 Cb 1.02 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1yca h GLU 85 CO 0.10 0.57 -0.52 1.25 -1.40 0.00 0.00 179.01 179.01 1yca h LEU 86 N 0.26 0.00 0.00 1.33 6.46 -1.10 -3.37 115.31 118.89 1yca h LEU 86 Ca 0.04 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1yca h LEU 86 Cb 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1yca h LEU 86 CO 0.05 0.02 -0.00 0.74 -0.62 0.00 0.00 178.44 178.63 1yca h THR 87 N 0.00 1.10 -0.51 1.05 2.02 -1.49 -1.79 112.91 113.29 1yca h THR 87 Ca 0.00 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1yca h THR 87 Cb 0.93 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1yca h THR 87 CO 0.00 0.08 0.23 -0.65 0.37 0.00 0.00 175.52 175.55 1yca h PRO 88 N -0.13 0.71 -0.39 6.66 0.11 -1.75 0.10 132.00 137.31 1yca h PRO 88 Ca -0.00 -0.09 -0.14 0.00 0.11 0.00 0.00 66.00 65.89 1yca h PRO 88 Cb 0.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1yca h PRO 88 CO 0.00 0.56 -0.30 1.25 -0.21 0.00 0.00 178.00 179.30 1yca h LEU 89 N 0.71 0.89 -0.43 2.35 5.85 -1.62 0.21 115.31 123.28 1yca h LEU 89 Ca 0.18 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 1yca h LEU 89 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1yca h LEU 89 CO -0.02 1.12 -0.39 0.00 -0.34 0.00 0.00 178.44 178.81 1yca h ALA 90 N 0.93 0.61 0.85 1.25 0.00 -0.83 -0.89 119.26 121.17 1yca h ALA 90 Ca 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1yca h ALA 90 Cb 0.86 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1yca h ALA 90 CO 0.08 0.68 -0.41 0.37 0.00 0.00 0.00 179.25 179.96 1yca h GLN 91 N 0.73 -1.10 -0.63 0.00 4.15 -0.73 0.44 115.11 117.96 1yca h GLN 91 Ca 0.06 0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1yca h GLN 91 Cb 0.98 0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 1yca h GLN 91 CO 0.09 -0.73 0.38 0.66 -1.93 0.00 0.00 178.83 177.30 1yca h SER 92 N -1.17 0.75 1.79 -0.69 4.64 -0.56 0.28 113.55 118.59 1yca h SER 92 Ca -0.12 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 1yca h SER 92 Cb 0.87 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1yca h SER 92 CO 0.19 0.59 -0.17 0.45 -0.87 0.00 0.00 176.83 177.02 1yca h HIS 93 N 0.85 0.00 0.03 4.77 3.86 -1.19 0.18 115.15 123.65 1yca h HIS 93 Ca 0.23 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1yca h HIS 93 Cb -0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1yca h HIS 93 CO -0.02 0.17 -0.02 0.00 0.86 0.00 0.00 177.93 178.93 1yca h ALA 94 N 1.83 -0.31 0.10 2.45 0.00 0.13 2.73 119.26 126.19 1yca h ALA 94 Ca -0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1yca h ALA 94 Cb 1.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1yca h ALA 94 CO 0.02 -0.31 -1.65 1.79 0.00 0.00 0.00 179.25 179.11 1yca h THR 95 N -0.12 1.00 0.01 0.00 1.35 -0.55 -3.13 112.91 111.48 1yca h THR 95 Ca -0.00 -2.70 -0.21 0.00 -0.55 0.00 0.00 66.41 62.95 1yca h THR 95 Cb 0.03 2.65 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1yca h THR 95 CO 0.01 0.78 -1.16 0.50 -0.25 0.00 0.00 175.52 175.40 1yca h LYS 96 N 0.06 0.03 0.00 4.72 3.64 -0.75 -3.40 116.57 120.86 1yca h LYS 96 Ca -0.28 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1yca h LYS 96 Cb 2.02 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.84 1yca h LYS 96 CO 0.13 1.02 -0.79 0.45 -2.27 0.00 0.00 179.45 178.00 1yca h HIS 97 N -0.91 0.00 -5.43 1.91 -0.00 -1.34 -3.49 115.15 105.90 1yca h HIS 97 Ca -0.31 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 59.83 1yca h HIS 97 Cb 1.33 0.00 0.18 0.00 -0.00 0.00 0.00 27.41 28.92 1yca h HIS 97 CO 0.12 0.32 -0.78 1.63 -0.00 0.00 0.00 177.93 179.22 1yca n LYS 98 N -2.98 -2.15 -3.51 2.45 4.01 0.71 -4.95 118.16 111.73 1yca n LYS 98 Ca -0.01 0.92 -0.40 0.00 -0.51 0.00 0.00 58.31 58.30 1yca n LYS 98 Cb 0.69 -5.80 -0.10 0.00 -0.51 0.00 0.00 35.03 29.30 1yca n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1yca s ILE 99 N -3.35 5.27 0.85 -0.18 -1.09 0.88 -4.99 121.20 118.59 1yca s ILE 99 Ca 0.42 -0.12 -0.13 0.00 -2.23 0.00 0.00 60.65 58.58 1yca s ILE 99 Cb -0.05 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1yca s ILE 99 CO 0.74 -0.00 0.78 -2.65 -1.23 0.00 0.00 174.94 172.58 1yca n PRO 100 N 5.16 -0.02 0.14 2.79 -0.01 -1.26 -4.77 135.00 137.02 1yca n PRO 100 Ca -0.12 0.05 -0.01 0.00 -0.01 0.00 0.00 63.50 63.42 1yca n PRO 100 Cb 0.50 -2.10 0.23 0.00 -0.01 0.00 0.00 33.50 32.12 1yca n PRO 100 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 175.50 175.10 1yca h VAL 101 N -1.12 1.36 -0.66 -1.45 -1.51 -1.95 -2.21 116.25 108.71 1yca h VAL 101 Ca -0.45 -1.72 0.11 0.00 -1.23 0.00 0.00 66.70 63.41 1yca h VAL 101 Cb 1.30 1.89 -0.04 0.00 -2.13 0.00 0.00 31.29 32.31 1yca h VAL 101 CO 0.41 0.50 0.44 0.07 -1.23 0.00 0.00 177.57 177.76 1yca h LYS 102 N 0.06 0.44 0.00 5.19 2.10 -2.00 0.39 116.57 122.75 1yca h LYS 102 Ca -0.00 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1yca h LYS 102 Cb 0.90 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1yca h LYS 102 CO 0.07 0.29 -0.28 1.88 -2.00 0.00 0.00 179.45 179.41 1yca h TYR 103 N 0.45 0.00 -0.01 0.07 0.05 -1.75 -1.79 116.97 113.99 1yca h TYR 103 Ca 0.31 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.99 1yca h TYR 103 Cb 0.60 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1yca h TYR 103 CO -0.00 0.28 -0.47 -0.07 -1.05 0.00 0.00 178.16 176.84 1yca h LEU 104 N 0.00 0.03 -0.50 3.88 3.38 -0.22 -0.79 115.31 121.09 1yca h LEU 104 Ca -0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1yca h LEU 104 Cb 0.64 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1yca h LEU 104 CO 0.04 0.50 -0.56 -0.33 0.09 0.00 0.00 178.44 178.17 1yca h GLU 105 N 0.02 0.56 -0.48 1.13 5.08 -1.13 -2.51 114.58 117.24 1yca h GLU 105 Ca -0.00 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1yca h GLU 105 Cb 0.84 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1yca h GLU 105 CO 0.06 0.97 -0.04 0.74 -1.00 0.00 0.00 179.01 179.74 1yca h PHE 106 N 0.42 0.97 -0.03 4.33 0.04 -0.59 0.38 116.94 122.47 1yca h PHE 106 Ca 0.00 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 60.47 1yca h PHE 106 Cb 1.11 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1yca h PHE 106 CO 0.05 0.92 -0.53 0.97 -0.60 0.00 0.00 178.31 179.12 1yca h ILE 107 N 0.73 1.37 -0.38 -0.55 2.10 -1.06 -1.92 117.51 117.80 1yca h ILE 107 Ca 0.13 -1.82 -0.04 0.00 1.08 0.00 0.00 64.86 64.21 1yca h ILE 107 Cb 0.57 1.95 -0.02 0.00 -1.09 0.00 0.00 36.82 38.23 1yca h ILE 107 CO 0.03 0.53 0.10 0.28 -1.08 0.00 0.00 178.15 178.01 1yca h SER 108 N 0.07 0.57 0.17 2.19 0.02 -1.23 0.68 113.55 116.01 1yca h SER 108 Ca -0.00 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.60 1yca h SER 108 Cb 0.96 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1yca h SER 108 CO 0.07 0.64 -0.45 -0.08 -1.14 0.00 0.00 176.83 175.88 1yca h GLU 109 N 0.47 0.34 -0.41 3.45 4.81 0.36 -1.90 114.58 121.70 1yca h GLU 109 Ca 0.12 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1yca h GLU 109 Cb 0.29 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1yca h GLU 109 CO -0.00 0.73 0.17 0.00 -0.73 0.00 0.00 179.01 179.18 1yca h ALA 110 N 1.25 0.49 0.02 2.92 0.00 -0.85 -0.99 119.26 122.10 1yca h ALA 110 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1yca h ALA 110 Cb 0.90 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1yca h ALA 110 CO 0.07 -0.21 -0.12 0.82 0.00 0.00 0.00 179.25 179.81 1yca h ILE 111 N 0.35 0.70 -0.44 0.00 2.04 -0.70 0.11 117.51 119.57 1yca h ILE 111 Ca 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1yca h ILE 111 Cb 0.13 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1yca h ILE 111 CO -0.16 0.00 0.19 0.40 0.00 0.00 0.00 178.15 178.58 1yca h ILE 112 N -0.22 1.19 -0.88 -0.67 2.04 -1.23 -0.27 117.51 117.47 1yca h ILE 112 Ca 0.04 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.43 1yca h ILE 112 Cb 0.26 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1yca h ILE 112 CO -0.11 0.21 0.53 1.56 0.00 0.00 0.00 178.15 180.34 1yca h GLN 113 N 0.56 0.86 -0.05 2.37 4.20 -0.87 -0.97 115.11 121.22 1yca h GLN 113 Ca 0.15 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 1yca h GLN 113 Cb 0.15 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1yca h GLN 113 CO -0.02 0.57 -0.77 0.28 -0.67 0.00 0.00 178.83 178.23 1yca h VAL 114 N 0.89 1.41 -0.49 -0.54 2.07 -0.45 -1.51 116.25 117.62 1yca h VAL 114 Ca 0.42 -2.26 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 1yca h VAL 114 Cb 0.35 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1yca h VAL 114 CO -0.24 0.67 0.07 -0.07 0.02 0.00 0.00 177.57 178.03 1yca h LEU 115 N 0.22 0.79 -0.63 2.57 3.38 -0.66 0.10 115.31 121.07 1yca h LEU 115 Ca -0.04 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1yca h LEU 115 Cb 1.35 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1yca h LEU 115 CO 0.13 0.85 0.40 -0.61 0.09 0.00 0.00 178.44 179.30 1yca h GLN 116 N 0.69 0.78 -0.16 1.13 5.75 -1.15 0.48 115.11 122.62 1yca h GLN 116 Ca 0.15 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.40 1yca h GLN 116 Cb 0.40 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1yca h GLN 116 CO 0.01 0.51 -0.71 1.03 -2.65 0.00 0.00 178.83 177.02 1yca h SER 117 N 0.80 0.82 0.74 -0.69 0.87 -1.17 -3.03 113.55 111.90 1yca h SER 117 Ca 0.25 -0.51 -0.13 0.00 -1.23 0.00 0.00 61.79 60.16 1yca h SER 117 Cb -0.02 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1yca h SER 117 CO -0.09 1.29 -1.35 0.29 -0.53 0.00 0.00 176.83 176.45 1yca n LYS 118 N -3.93 0.62 -2.90 2.24 5.02 0.34 -4.58 118.16 114.97 1yca n LYS 118 Ca -0.06 0.20 -0.16 0.00 -2.02 0.00 0.00 58.31 56.26 1yca n LYS 118 Cb 0.71 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1yca n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1yca n HIS 119 N -2.84 1.23 -0.14 2.13 8.25 0.17 -4.90 115.22 119.12 1yca n HIS 119 Ca -0.08 -3.38 -0.07 0.00 -0.26 0.00 0.00 57.72 53.93 1yca n HIS 119 Cb 0.78 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 1yca n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1yca h PRO 120 N 2.96 -0.23 -0.42 -0.41 0.13 -1.66 0.42 132.00 132.79 1yca h PRO 120 Ca 0.04 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.24 1yca h PRO 120 Cb 1.00 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 1yca h PRO 120 CO 0.56 -0.15 -0.48 0.78 -0.23 0.00 0.00 178.00 178.48 1yca h GLY 121 N -0.24 -1.15 0.73 1.56 0.00 -1.90 0.25 103.07 102.32 1yca h GLY 121 Ca 0.18 0.76 0.00 0.00 0.00 0.00 0.00 47.33 48.27 1yca h GLY 121 CO -0.57 -0.20 -0.13 1.22 0.00 0.00 0.00 176.54 176.86 1yca n ASP 122 N -4.97 0.60 -3.82 0.19 9.92 -0.47 -4.39 116.55 113.61 1yca n ASP 122 Ca -0.02 -0.68 -0.40 0.00 -0.53 0.00 0.00 54.79 53.15 1yca n ASP 122 Cb 0.28 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1yca n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1yca n PHE 123 N -0.85 2.55 -1.10 1.24 7.35 0.13 -4.82 117.46 121.96 1yca n PHE 123 Ca 0.14 -2.77 0.00 0.00 -0.76 0.00 0.00 57.45 54.07 1yca n PHE 123 Cb 0.29 -1.14 0.00 0.00 0.35 0.00 0.00 39.48 38.97 1yca n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yca n GLY 124 N 0.88 -0.75 0.27 7.13 0.00 -1.25 -4.64 105.19 106.82 1yca n GLY 124 Ca 0.31 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.67 1yca n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yca h ALA 125 N -1.74 0.80 -0.03 4.61 0.00 -1.95 -1.72 119.26 119.22 1yca h ALA 125 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1yca h ALA 125 Cb 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1yca h ALA 125 CO 0.00 -0.40 -0.01 -0.44 0.00 0.00 0.00 179.25 178.40 1yca h ASP 126 N 0.15 0.06 -0.62 0.00 3.32 -1.98 -1.27 116.42 116.08 1yca h ASP 126 Ca 0.40 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1yca h ASP 126 Cb 0.69 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1yca h ASP 126 CO -0.59 0.46 0.34 0.00 -1.72 0.00 0.00 179.24 177.72 1yca h ALA 127 N 0.61 0.80 -0.12 3.45 0.00 -1.85 1.21 119.26 123.36 1yca h ALA 127 Ca 0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1yca h ALA 127 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1yca h ALA 127 CO 0.00 0.32 -0.07 1.96 0.00 0.00 0.00 179.25 181.46 1yca h GLN 128 N 0.85 -0.07 -0.21 0.00 4.20 -1.30 0.82 115.11 119.39 1yca h GLN 128 Ca 0.22 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 1yca h GLN 128 Cb 0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1yca h GLN 128 CO -0.03 -0.05 -0.17 0.78 -0.67 0.00 0.00 178.83 178.69 1yca h GLY 129 N -0.07 0.40 0.83 3.46 0.00 -0.91 -1.03 103.07 105.74 1yca h GLY 129 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1yca h GLY 129 CO -0.16 0.26 -0.04 0.00 0.00 0.00 0.00 176.54 176.59 1yca h ALA 130 N 1.49 0.31 -0.44 3.60 0.00 0.29 -3.04 119.26 121.46 1yca h ALA 130 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1yca h ALA 130 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1yca h ALA 130 CO 0.03 0.08 0.08 1.98 0.00 0.00 0.00 179.25 181.42 1yca h MET 131 N 0.16 0.66 -0.02 0.00 -1.53 -0.72 -2.48 114.93 111.01 1yca h MET 131 Ca 0.06 -0.13 -0.08 0.00 -3.44 0.00 0.00 59.70 56.11 1yca h MET 131 Cb 0.48 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 1yca h MET 131 CO 0.02 0.62 -0.38 0.77 0.14 0.00 0.00 176.91 178.08 1yca h SER 132 N 0.64 0.03 0.19 1.39 0.02 -1.17 -2.13 113.55 112.52 1yca h SER 132 Ca 0.14 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1yca h SER 132 Cb 0.28 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1yca h SER 132 CO 0.00 0.41 -0.54 0.11 -1.14 0.00 0.00 176.83 175.68 1yca h LYS 133 N 0.03 0.37 -0.51 3.45 1.57 -1.37 0.20 116.57 120.31 1yca h LYS 133 Ca 0.00 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1yca h LYS 133 Cb 0.68 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1yca h LYS 133 CO 0.05 0.82 0.09 0.00 -0.57 0.00 0.00 179.45 179.84 1yca h ALA 134 N 1.14 0.68 0.02 3.86 0.00 -1.10 0.10 119.26 123.96 1yca h ALA 134 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1yca h ALA 134 Cb 1.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yca h ALA 134 CO 0.09 0.41 -0.92 -0.07 0.00 0.00 0.00 179.25 178.76 1yca h LEU 135 N 0.73 0.17 -0.42 0.00 3.38 -1.35 -2.22 115.31 115.60 1yca h LEU 135 Ca 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1yca h LEU 135 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1yca h LEU 135 CO 0.01 1.00 0.14 -0.08 0.09 0.00 0.00 178.44 179.60 1yca h GLU 136 N 0.06 0.64 -0.49 1.13 4.81 -0.39 0.94 114.58 121.28 1yca h GLU 136 Ca -0.04 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1yca h GLU 136 Cb 1.59 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 1yca h GLU 136 CO 0.13 0.62 0.22 1.25 -0.73 0.00 0.00 179.01 180.51 1yca h LEU 137 N 0.53 0.65 0.18 1.64 5.85 -0.76 1.17 115.31 124.57 1yca h LEU 137 Ca 0.14 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1yca h LEU 137 Cb 0.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1yca h LEU 137 CO -0.01 0.61 -0.17 0.15 -0.34 0.00 0.00 178.44 178.69 1yca h PHE 138 N 0.65 -0.44 -0.21 1.25 3.57 -1.17 0.75 116.94 121.34 1yca h PHE 138 Ca 0.17 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1yca h PHE 138 Cb 0.14 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1yca h PHE 138 CO -0.00 -0.26 0.03 0.00 -2.23 0.00 0.00 178.31 175.85 1yca h ARG 139 N -0.37 0.11 -0.43 1.11 3.08 -0.55 -0.84 114.38 116.48 1yca h ARG 139 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1yca h ARG 139 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1yca h ARG 139 CO -0.04 0.07 0.05 -0.91 -1.07 0.00 0.00 179.97 178.07 1yca h ASN 140 N 0.11 0.63 0.57 7.04 -0.26 0.20 -1.87 115.58 122.00 1yca h ASN 140 Ca 0.10 -0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.62 1yca h ASN 140 Cb 0.10 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1yca h ASN 140 CO -0.14 0.67 -0.47 0.44 -1.06 0.00 0.00 177.43 176.87 1yca h ASP 141 N 0.64 0.00 -0.02 5.81 3.32 -0.39 -2.66 116.42 123.13 1yca h ASP 141 Ca 0.14 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1yca h ASP 141 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1yca h ASP 141 CO 0.01 0.47 -0.03 0.24 -1.72 0.00 0.00 179.24 178.20 1yca h MET 142 N 0.00 0.05 -0.80 3.56 2.86 -0.90 -2.32 114.93 117.38 1yca h MET 142 Ca -0.00 -0.03 0.12 0.00 -2.06 0.00 0.00 59.70 57.73 1yca h MET 142 Cb 0.88 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.48 1yca h MET 142 CO 0.06 0.60 0.53 0.00 1.06 0.00 0.00 176.91 179.15 1yca h ALA 143 N 0.45 1.88 -0.29 6.32 0.00 -1.26 0.67 119.26 127.04 1yca h ALA 143 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yca h ALA 143 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1yca h ALA 143 CO 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 179.25 179.24 1yca h ALA 144 N 1.62 0.39 -0.29 0.00 0.00 -1.43 -0.27 119.26 119.26 1yca h ALA 144 Ca 0.39 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1yca h ALA 144 Cb 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1yca h ALA 144 CO -0.15 0.06 -0.03 -0.22 0.00 0.00 0.00 179.25 178.91 1yca h LYS 145 N 0.31 0.54 -0.30 0.00 1.63 -0.14 -1.91 116.57 116.69 1yca h LYS 145 Ca 0.09 -0.19 0.07 0.00 -0.85 0.00 0.00 60.65 59.77 1yca h LYS 145 Cb 0.31 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.82 1yca h LYS 145 CO 0.00 0.71 -0.20 1.88 -3.45 0.00 0.00 179.45 178.39 1yca h TYR 146 N 0.32 -0.53 -0.59 1.91 -1.99 0.59 -0.15 116.97 116.53 1yca h TYR 146 Ca 0.08 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.89 1yca h TYR 146 Cb 0.49 0.28 -0.03 0.00 2.00 0.00 0.00 36.73 39.46 1yca h TYR 146 CO 0.04 -0.28 0.39 -0.22 -0.00 0.00 0.00 178.16 178.09 1yca h LYS 147 N -0.18 0.64 -0.37 4.88 1.63 -0.86 0.23 116.57 122.54 1yca h LYS 147 Ca 0.16 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.79 1yca h LYS 147 Cb 0.42 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1yca h LYS 147 CO -0.40 0.42 -0.26 1.49 -3.45 0.00 0.00 179.45 177.25 1yca h GLU 148 N 0.66 0.83 0.00 1.90 4.81 -0.51 -2.99 114.58 119.27 1yca h GLU 148 Ca 0.24 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1yca h GLU 148 Cb 0.14 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1yca h GLU 148 CO -0.07 1.03 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.17 1yca h LEU 149 N 0.63 0.00 0.00 1.64 3.38 0.28 -3.47 115.31 117.76 1yca h LEU 149 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yca h LEU 149 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1yca h LEU 149 CO 0.07 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1yca n GLY 150 N 0.04 0.84 0.00 0.83 0.00 0.67 -5.06 105.19 102.50 1yca n GLY 150 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1yca n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yca n PHE 151 N -2.26 0.00 0.02 1.61 7.35 -0.95 -5.01 117.46 118.22 1yca n PHE 151 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 1yca n PHE 151 Cb 0.00 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.71 1yca n PHE 151 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1yca n GLN 152 N 0.00 0.65 0.00 -4.13 6.02 -1.26 -4.34 117.38 114.31 1yca n GLN 152 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1yca n GLN 152 Cb 0.00 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1yca n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46