#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 3.42 0.81 0.99 1.02 -1.26 -5.12 118.68 118.55 1yca s LEU 2 Ca 0.00 -0.68 -0.12 0.00 0.02 0.00 0.00 54.13 53.35 1yca s LEU 2 Cb 0.00 -2.17 0.09 0.00 0.02 0.00 0.00 46.19 44.14 1yca s LEU 2 CO 0.00 -0.75 1.17 -0.94 0.02 0.00 0.00 176.35 175.85 1yca s SER 3 N -4.24 4.37 0.35 2.29 1.04 -1.26 -4.82 113.70 111.44 1yca s SER 3 Ca 0.50 0.67 0.06 0.00 0.48 0.00 0.00 55.95 57.66 1yca s SER 3 Cb -0.05 -1.12 0.66 0.00 0.10 0.00 0.00 66.02 65.61 1yca s SER 3 CO 0.30 -1.97 1.89 0.44 0.98 0.00 0.00 173.24 174.88 1yca h ASP 4 N -1.07 0.42 -0.28 7.02 3.32 -1.99 -1.44 116.42 122.39 1yca h ASP 4 Ca -0.46 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.55 1yca h ASP 4 Cb 1.32 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1yca h ASP 4 CO 0.62 0.50 0.11 1.23 -1.72 0.00 0.00 179.24 179.98 1yca h GLY 5 N 0.79 0.36 0.67 2.75 0.00 -1.99 -0.91 103.07 104.74 1yca h GLY 5 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1yca h GLY 5 CO 0.01 0.04 -0.24 0.83 0.00 0.00 0.00 176.54 177.19 1yca h GLU 6 N 0.24 -0.64 -1.18 4.80 5.08 -1.83 -1.07 114.58 119.99 1yca h GLU 6 Ca 0.12 0.04 0.34 0.00 -1.00 0.00 0.00 59.36 58.86 1yca h GLU 6 Cb 0.08 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 1yca h GLU 6 CO -0.12 -0.33 0.79 -1.49 -1.00 0.00 0.00 179.01 176.86 1yca h TRP 7 N -1.00 0.43 0.03 4.33 -0.00 -1.21 0.57 115.95 119.10 1yca h TRP 7 Ca -0.07 0.02 -0.24 0.00 -0.00 0.00 0.00 58.89 58.60 1yca h TRP 7 Cb 0.60 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.64 1yca h TRP 7 CO 0.01 -0.02 -1.01 0.37 -0.00 0.00 0.00 178.44 177.79 1yca h GLN 8 N 0.21 0.39 -0.69 0.49 5.75 -0.67 -0.39 115.11 120.20 1yca h GLN 8 Ca 0.65 -0.47 -0.06 0.00 -0.15 0.00 0.00 58.65 58.62 1yca h GLN 8 Cb 2.03 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 30.69 1yca h GLN 8 CO -0.24 1.14 0.18 -0.07 -2.65 0.00 0.00 178.83 177.19 1yca h LEU 9 N 0.20 1.03 0.04 -2.39 3.38 0.14 -1.76 115.31 115.95 1yca h LEU 9 Ca -0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1yca h LEU 9 Cb 1.67 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1yca h LEU 9 CO 0.17 0.98 -0.02 0.58 0.09 0.00 0.00 178.44 180.25 1yca h VAL 10 N 1.04 1.04 -0.21 1.22 2.07 -1.20 -1.15 116.25 119.06 1yca h VAL 10 Ca 0.22 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1yca h VAL 10 Cb 0.35 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1yca h VAL 10 CO 0.00 0.07 -0.10 -0.07 0.02 0.00 0.00 177.57 177.49 1yca h LEU 11 N -0.17 0.31 -0.05 2.57 3.38 -0.99 0.23 115.31 120.60 1yca h LEU 11 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1yca h LEU 11 Cb 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1yca h LEU 11 CO 0.01 0.45 0.00 0.78 0.09 0.00 0.00 178.44 179.77 1yca h ASN 12 N 0.32 0.09 0.22 -0.43 2.35 -1.16 -1.91 115.58 115.06 1yca h ASN 12 Ca 0.07 -0.29 -0.17 0.00 -0.55 0.00 0.00 56.30 55.35 1yca h ASN 12 Cb 0.37 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1yca h ASN 12 CO 0.02 0.36 -0.68 1.62 -1.65 0.00 0.00 177.43 177.10 1yca h VAL 13 N -0.18 1.37 0.00 2.81 3.04 -1.01 -2.83 116.25 119.44 1yca h VAL 13 Ca 0.02 -2.05 -0.01 0.00 -1.01 0.00 0.00 66.70 63.64 1yca h VAL 13 Cb 0.31 2.03 -0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1yca h VAL 13 CO 0.00 0.62 -0.06 -0.25 -1.01 0.00 0.00 177.57 176.87 1yca h TRP 14 N 0.29 0.00 0.00 3.17 2.91 -0.43 -1.77 115.95 120.12 1yca h TRP 14 Ca -0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 1yca h TRP 14 Cb 1.24 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.89 1yca h TRP 14 CO 0.04 0.06 -0.05 0.78 -1.03 0.00 0.00 178.44 178.24 1yca h GLY 15 N 0.36 0.00 1.45 2.65 0.00 -1.08 -1.21 103.07 105.24 1yca h GLY 15 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1yca h GLY 15 CO 0.01 0.00 -0.67 0.50 0.00 0.00 0.00 176.54 176.38 1yca h LYS 16 N 0.00 0.56 -0.63 4.80 1.79 -1.45 -2.53 116.57 119.11 1yca h LYS 16 Ca -0.00 -0.41 -0.06 0.00 -2.18 0.00 0.00 60.65 58.00 1yca h LYS 16 Cb 0.08 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1yca h LYS 16 CO 0.01 1.03 0.15 0.28 -1.08 0.00 0.00 179.45 179.84 1yca h VAL 17 N 0.40 1.25 0.00 0.50 2.07 -1.16 -3.07 116.25 116.24 1yca h VAL 17 Ca -0.02 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1yca h VAL 17 Cb 1.24 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1yca h VAL 17 CO 0.12 0.35 0.00 -0.33 0.02 0.00 0.00 177.57 177.73 1yca h GLU 18 N 0.92 0.00 0.00 1.57 5.08 -0.93 0.36 114.58 121.58 1yca h GLU 18 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1yca h GLU 18 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1yca h GLU 18 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1yca n ALA 19 N -2.06 2.21 -2.71 3.43 0.00 -1.06 -4.40 120.51 115.93 1yca n ALA 19 Ca -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1yca n ALA 19 Cb 0.16 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.35 -2.19 -0.11 0.00 2.03 0.12 -5.03 116.55 110.02 1yca n ASP 20 Ca 0.10 -2.47 -0.13 0.00 0.52 0.00 0.00 54.79 52.81 1yca n ASP 20 Cb 0.22 1.29 -0.02 0.00 -0.72 0.00 0.00 41.12 41.89 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 2.46 1.27 -0.55 5.18 2.07 -1.64 -2.40 116.25 122.64 1yca h VAL 21 Ca -0.15 -1.58 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 1yca h VAL 21 Cb 1.12 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1yca h VAL 21 CO 0.06 0.53 0.10 0.00 0.02 0.00 0.00 177.57 178.27 1yca h ALA 22 N 0.77 0.73 -0.72 1.67 0.00 -1.89 0.48 119.26 120.30 1yca h ALA 22 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1yca h ALA 22 Cb 1.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1yca h ALA 22 CO 0.10 0.46 0.20 0.78 0.00 0.00 0.00 179.25 180.79 1yca h GLY 23 N 0.80 1.21 1.79 0.00 0.00 -1.90 0.21 103.07 105.18 1yca h GLY 23 Ca 0.17 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 1yca h GLY 23 CO 0.01 0.68 -0.58 0.45 0.00 0.00 0.00 176.54 177.10 1yca h HIS 24 N 1.07 0.28 -0.20 5.60 3.86 -1.29 -2.92 115.15 121.55 1yca h HIS 24 Ca 0.23 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 59.20 1yca h HIS 24 Cb 0.33 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1yca h HIS 24 CO 0.03 0.75 -0.46 0.78 0.86 0.00 0.00 177.93 179.88 1yca h GLY 25 N 1.46 0.54 0.93 2.45 0.00 0.14 -2.17 103.07 106.42 1yca h GLY 25 Ca -0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 1yca h GLY 25 CO 0.09 0.52 -0.16 -1.61 0.00 0.00 0.00 176.54 175.37 1yca h GLN 26 N 0.40 0.66 -0.25 4.80 4.15 -0.64 -2.66 115.11 121.57 1yca h GLN 26 Ca 0.03 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1yca h GLN 26 Cb 0.96 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1yca h GLN 26 CO 0.08 0.88 -0.01 0.93 -1.93 0.00 0.00 178.83 178.78 1yca h GLU 27 N 0.42 0.37 0.25 1.69 5.08 -1.44 0.72 114.58 121.67 1yca h GLU 27 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1yca h GLU 27 Cb 0.69 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1yca h GLU 27 CO 0.05 0.41 -0.12 0.28 -1.00 0.00 0.00 179.01 178.62 1yca h VAL 28 N 0.36 0.78 -0.71 3.13 2.07 -1.29 0.31 116.25 120.91 1yca h VAL 28 Ca 0.08 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1yca h VAL 28 Cb 0.26 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1yca h VAL 28 CO 0.01 0.04 0.24 -0.07 0.02 0.00 0.00 177.57 177.82 1yca h LEU 29 N -0.44 0.99 -0.44 2.57 3.38 -1.20 0.17 115.31 120.34 1yca h LEU 29 Ca -0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1yca h LEU 29 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1yca h LEU 29 CO 0.06 0.91 0.10 0.40 0.09 0.00 0.00 178.44 180.00 1yca h ILE 30 N 1.04 1.23 -0.88 1.22 2.04 -0.60 0.26 117.51 121.82 1yca h ILE 30 Ca 0.23 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1yca h ILE 30 Cb 0.26 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1yca h ILE 30 CO -0.01 0.29 0.57 0.03 0.00 0.00 0.00 178.15 179.03 1yca h ARG 31 N 0.58 1.08 -0.64 2.37 2.47 -0.00 0.21 114.38 120.44 1yca h ARG 31 Ca 0.14 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1yca h ARG 31 Cb 0.33 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 1yca h ARG 31 CO 0.00 0.71 0.21 1.25 0.56 0.00 0.00 179.97 182.70 1yca h LEU 32 N 1.11 0.93 -0.29 3.04 5.85 -0.15 -1.37 115.31 124.42 1yca h LEU 32 Ca 0.35 -0.20 -0.19 0.00 0.84 0.00 0.00 57.88 58.68 1yca h LEU 32 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1yca h LEU 32 CO -0.12 0.88 -0.87 -0.26 -0.34 0.00 0.00 178.44 177.73 1yca h PHE 33 N 0.92 0.22 0.00 1.25 0.04 -0.36 -0.63 116.94 118.39 1yca h PHE 33 Ca 0.21 -0.13 -0.17 0.00 2.80 0.00 0.00 57.97 60.68 1yca h PHE 33 Cb 0.28 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1yca h PHE 33 CO 0.02 0.94 -0.84 0.87 -0.60 0.00 0.00 178.31 178.71 1yca h LYS 34 N 0.08 0.00 0.06 1.51 1.79 -0.96 -3.25 116.57 115.80 1yca h LYS 34 Ca -0.04 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.18 1yca h LYS 34 Cb 1.50 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.18 1yca h LYS 34 CO 0.13 0.76 -1.02 0.78 -1.08 0.00 0.00 179.45 179.02 1yca h GLY 35 N 3.24 0.65 -6.56 3.86 0.00 -1.09 -3.40 103.07 99.77 1yca h GLY 35 Ca -0.02 -1.27 -0.59 0.00 0.00 0.00 0.00 47.33 45.45 1yca h GLY 35 CO 0.10 1.12 -0.87 0.30 0.00 0.00 0.00 176.54 177.18 1yca s HIS 36 N -3.08 1.04 0.60 5.60 3.76 -0.26 -4.99 115.29 117.97 1yca s HIS 36 Ca -0.11 -1.99 0.31 0.00 -0.15 0.00 0.00 55.06 53.13 1yca s HIS 36 Cb 0.05 -1.05 1.87 0.00 1.11 0.00 0.00 32.58 34.56 1yca s HIS 36 CO 0.90 -0.82 2.24 -1.35 -0.85 0.00 0.00 174.74 174.86 1yca h PRO 37 N 6.47 0.00 0.00 8.40 0.11 -1.76 0.39 132.00 145.61 1yca h PRO 37 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1yca h PRO 37 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1yca h PRO 37 CO 0.33 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.15 1yca h GLU 38 N 0.00 0.00 -0.03 1.05 9.09 -1.92 -1.45 114.58 121.32 1yca h GLU 38 Ca 0.02 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.32 1yca h GLU 38 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 1yca h GLU 38 CO -0.00 0.03 -0.49 1.79 0.05 0.00 0.00 179.01 180.38 1yca h THR 39 N 0.00 1.35 0.00 -1.06 1.35 -1.23 -2.76 112.91 110.56 1yca h THR 39 Ca -0.00 -1.70 -0.02 0.00 -0.55 0.00 0.00 66.41 64.14 1yca h THR 39 Cb 0.24 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1yca h THR 39 CO 0.00 0.49 -0.07 0.25 -0.25 0.00 0.00 175.52 175.94 1yca h LEU 40 N 0.06 0.00 -2.22 3.87 5.85 -1.41 -2.20 115.31 119.26 1yca h LEU 40 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1yca h LEU 40 Cb 0.89 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1yca h LEU 40 CO 0.07 0.07 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.86 1yca h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.59 -1.92 114.58 116.71 1yca h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yca h GLU 41 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1yca h GLU 41 CO 0.01 0.05 0.00 0.87 -1.16 0.00 0.00 179.01 178.78 1yca h LYS 42 N 0.00 0.00 -3.81 2.33 6.56 -1.55 -3.40 116.57 116.69 1yca h LYS 42 Ca -0.00 0.00 -0.78 0.00 -1.06 0.00 0.00 60.65 58.81 1yca h LYS 42 Cb 0.22 0.00 -0.27 0.00 -0.57 0.00 0.00 32.23 31.61 1yca h LYS 42 CO 0.01 0.00 0.03 -0.06 -2.06 0.00 0.00 179.45 177.36 1yca s PHE 43 N -3.31 3.70 0.25 -1.35 0.40 -0.72 -4.89 117.98 112.05 1yca s PHE 43 Ca 0.06 -2.06 -0.07 0.00 -0.60 0.00 0.00 56.93 54.26 1yca s PHE 43 Cb 0.09 -3.74 0.44 0.00 0.51 0.00 0.00 43.02 40.32 1yca s PHE 43 CO 0.56 -0.97 1.62 -0.44 0.70 0.00 0.00 175.22 176.69 1yca h ASP 44 N 7.73 -0.42 0.03 1.36 5.19 -1.82 0.20 116.42 128.69 1yca h ASP 44 Ca 0.07 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1yca h ASP 44 Cb 1.03 0.38 -0.00 0.00 0.18 0.00 0.00 39.33 40.92 1yca h ASP 44 CO 0.76 -0.20 -0.00 0.11 -3.12 0.00 0.00 179.24 176.78 1yca h LYS 45 N 0.08 0.00 0.00 3.56 1.57 -1.94 -3.19 116.57 116.65 1yca h LYS 45 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1yca h LYS 45 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1yca h LYS 45 CO -0.70 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.37 1yca n PHE 46 N -3.26 0.00 0.31 -1.35 3.72 0.57 -4.75 117.46 112.71 1yca n PHE 46 Ca -0.03 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.56 1yca n PHE 46 Cb 0.08 0.00 1.00 0.00 -0.94 0.00 0.00 39.48 39.62 1yca n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1yca h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.18 -0.17 116.57 116.24 1yca h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1yca h LYS 47 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1yca h LYS 47 CO 0.00 0.00 0.00 -2.39 -2.00 0.00 0.00 179.45 175.06 1yca n HIS 48 N -3.20 0.67 -2.44 0.07 1.44 -1.26 -4.76 115.22 105.74 1yca n HIS 48 Ca -0.02 0.22 -0.42 0.00 -2.01 0.00 0.00 57.72 55.49 1yca n HIS 48 Cb 0.23 -0.85 -0.03 0.00 0.12 0.00 0.00 29.99 29.45 1yca n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1yca s LEU 49 N -4.14 4.29 -0.02 2.39 1.43 -0.08 -4.87 118.68 117.69 1yca s LEU 49 Ca 0.09 1.85 0.15 0.00 -1.03 0.00 0.00 54.13 55.20 1yca s LEU 49 Cb 0.12 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.55 1yca s LEU 49 CO 0.50 -0.57 0.35 0.29 0.23 0.00 0.00 176.35 177.15 1yca n LYS 50 N 5.05 0.60 -3.85 1.70 4.76 -1.26 -5.03 118.16 120.13 1yca n LYS 50 Ca 0.11 -0.13 -0.08 0.00 -2.87 0.00 0.00 58.31 55.34 1yca n LYS 50 Cb 0.46 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 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 -3.62 -0.07 0.16 4.39 1.04 -1.26 -4.98 113.70 109.35 1yca s SER 51 Ca -0.05 -0.93 -0.11 0.00 0.48 0.00 0.00 55.95 55.34 1yca s SER 51 Cb 0.10 0.78 0.03 0.00 0.10 0.00 0.00 66.02 67.03 1yca s SER 51 CO 0.62 -1.51 1.61 -0.08 0.98 0.00 0.00 173.24 174.86 1yca h GLU 52 N 2.01 0.95 -0.02 4.02 4.81 -1.98 0.17 114.58 124.55 1yca h GLU 52 Ca -0.26 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 58.61 1yca h GLU 52 Cb 1.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1yca h GLU 52 CO 0.33 0.98 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.95 1yca h ASP 53 N 0.83 0.02 0.53 1.04 3.32 -1.97 1.12 116.42 121.31 1yca h ASP 53 Ca 0.15 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.01 1yca h ASP 53 Cb 0.56 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1yca h ASP 53 CO 0.03 0.22 -0.81 -0.33 -1.72 0.00 0.00 179.24 176.63 1yca h GLU 54 N 0.02 0.21 -0.23 3.56 5.08 -1.52 -2.73 114.58 118.97 1yca h GLU 54 Ca 0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1yca h GLU 54 Cb 0.35 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1yca h GLU 54 CO 0.03 0.91 0.00 0.52 -1.00 0.00 0.00 179.01 179.47 1yca h MET 55 N 0.13 0.41 -0.23 2.33 2.86 0.13 -2.37 114.93 118.18 1yca h MET 55 Ca -0.03 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1yca h MET 55 Cb 1.41 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1yca h MET 55 CO 0.12 0.59 0.16 0.87 1.06 0.00 0.00 176.91 179.71 1yca h LYS 56 N 0.19 0.19 0.00 1.72 1.57 0.12 -2.53 116.57 117.83 1yca h LYS 56 Ca 0.07 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1yca h LYS 56 Cb 0.40 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1yca h LYS 56 CO 0.01 0.12 -1.05 0.00 -0.57 0.00 0.00 179.45 177.96 1yca h ALA 57 N 1.87 0.64 -2.37 3.86 0.00 -1.36 -3.47 119.26 118.43 1yca h ALA 57 Ca 0.10 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 1yca h ALA 57 Cb 0.15 0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1yca h ALA 57 CO -0.02 0.57 1.14 0.45 0.00 0.00 0.00 179.25 181.40 1yca s SER 58 N -5.82 6.52 0.08 0.00 0.15 -0.90 -4.89 113.70 108.84 1yca s SER 58 Ca -0.00 2.54 -0.10 0.00 0.70 0.00 0.00 55.95 59.09 1yca s SER 58 Cb 0.08 -2.54 -0.22 0.00 -1.71 0.00 0.00 66.02 61.63 1yca s SER 58 CO 0.78 -0.99 1.18 1.05 1.20 0.00 0.00 173.24 176.46 1yca h GLU 59 N 9.70 0.53 0.00 5.44 4.11 -1.91 -3.14 114.58 129.31 1yca h GLU 59 Ca -0.45 -0.66 -0.12 0.00 0.07 0.00 0.00 59.36 58.19 1yca h GLU 59 Cb 1.21 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1yca h GLU 59 CO 0.94 1.27 -0.57 -0.44 0.07 0.00 0.00 179.01 180.29 1yca h ASP 60 N 0.25 0.00 -0.32 3.06 3.32 -1.97 -1.92 116.42 118.84 1yca h ASP 60 Ca -0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1yca h ASP 60 Cb 1.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.34 1yca h ASP 60 CO 0.21 0.57 0.20 0.25 -1.72 0.00 0.00 179.24 178.75 1yca h LEU 61 N 0.00 0.38 -0.56 1.55 6.46 -1.91 -2.24 115.31 118.99 1yca h LEU 61 Ca -0.01 -0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1yca h LEU 61 Cb 1.02 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1yca h LEU 61 CO 0.07 0.31 0.11 0.50 -0.62 0.00 0.00 178.44 178.82 1yca h LYS 62 N 0.42 0.91 -0.14 1.25 3.64 -1.47 0.35 116.57 121.53 1yca h LYS 62 Ca 0.12 -0.24 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1yca h LYS 62 Cb -0.00 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1yca h LYS 62 CO -0.02 0.87 -0.65 0.87 -2.27 0.00 0.00 179.45 178.25 1yca h LYS 63 N 0.81 0.54 -0.41 1.90 1.57 -1.28 -2.35 116.57 117.34 1yca h LYS 63 Ca 0.17 -0.39 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1yca h LYS 63 Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1yca h LYS 63 CO 0.01 1.01 -0.12 1.25 -0.57 0.00 0.00 179.45 181.03 1yca h HIS 64 N 0.39 0.81 -0.89 -1.35 2.76 -1.06 -0.42 115.15 115.39 1yca h HIS 64 Ca -0.01 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.00 1yca h HIS 64 Cb 1.22 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.93 1yca h HIS 64 CO 0.05 0.81 0.54 0.78 -1.30 0.00 0.00 177.93 178.81 1yca h GLY 65 N 0.97 1.30 0.82 5.26 0.00 0.03 -0.33 103.07 111.12 1yca h GLY 65 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1yca h GLY 65 CO 0.04 0.52 -0.15 -0.57 0.00 0.00 0.00 176.54 176.39 1yca h ASN 66 N 1.23 -0.39 -0.53 0.19 -0.73 -0.82 -1.50 115.58 113.03 1yca h ASN 66 Ca 0.32 0.04 0.04 0.00 1.87 0.00 0.00 56.30 58.57 1yca h ASN 66 Cb -0.05 0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.63 1yca h ASN 66 CO -0.06 -0.22 0.28 0.74 -0.37 0.00 0.00 177.43 177.80 1yca h THR 67 N -0.32 0.97 -0.04 -3.57 2.02 -0.94 0.17 112.91 111.20 1yca h THR 67 Ca 0.00 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1yca h THR 67 Cb 0.30 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1yca h THR 67 CO -0.04 0.10 -0.06 0.74 0.37 0.00 0.00 175.52 176.63 1yca h THR 68 N 0.54 1.40 0.00 3.16 2.02 -0.93 -2.68 112.91 116.42 1yca h THR 68 Ca 0.23 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 1yca h THR 68 Cb 0.12 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1yca h THR 68 CO -0.15 0.35 -0.48 -0.07 0.37 0.00 0.00 175.52 175.54 1yca h LEU 69 N -0.37 0.00 -0.34 2.58 3.38 -1.21 -2.41 115.31 116.94 1yca h LEU 69 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1yca h LEU 69 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1yca h LEU 69 CO 0.01 0.48 0.18 0.74 0.09 0.00 0.00 178.44 179.94 1yca h THR 70 N 0.00 1.14 -0.43 0.22 2.02 -0.67 0.57 112.91 115.76 1yca h THR 70 Ca -0.00 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.67 1yca h THR 70 Cb 1.00 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1yca h THR 70 CO 0.06 0.14 -0.31 0.00 0.37 0.00 0.00 175.52 175.79 1yca h ALA 71 N 1.05 0.61 -0.45 6.16 0.00 -1.37 -2.67 119.26 122.60 1yca h ALA 71 Ca 0.12 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1yca h ALA 71 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yca h ALA 71 CO -0.02 0.67 -0.08 1.25 0.00 0.00 0.00 179.25 181.07 1yca h LEU 72 N 0.80 0.85 -1.53 0.00 5.85 -1.18 -2.26 115.31 117.85 1yca h LEU 72 Ca 0.08 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1yca h LEU 72 Cb 0.89 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1yca h LEU 72 CO 0.08 1.00 -0.09 1.23 -0.34 0.00 0.00 178.44 180.32 1yca h GLY 73 N 0.69 0.20 1.93 3.75 0.00 0.30 -1.01 103.07 108.93 1yca h GLY 73 Ca 0.12 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1yca h GLY 73 CO 0.04 0.10 -0.66 -1.33 0.00 0.00 0.00 176.54 174.69 1yca h GLY 74 N 0.61 0.07 0.50 4.60 0.00 -1.26 -2.67 103.07 104.92 1yca h GLY 74 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1yca h GLY 74 CO 0.02 0.09 -0.23 -2.22 0.00 0.00 0.00 176.54 174.19 1yca h ILE 75 N 0.05 1.51 -0.71 2.60 2.04 -0.77 -3.34 117.51 118.89 1yca h ILE 75 Ca -0.01 -1.82 0.09 0.00 1.00 0.00 0.00 64.86 64.12 1yca h ILE 75 Cb 1.18 2.62 -0.07 0.00 -0.74 0.00 0.00 36.82 39.80 1yca h ILE 75 CO 0.09 0.50 0.35 -0.07 0.00 0.00 0.00 178.15 179.02 1yca h LEU 76 N -0.43 0.46 -2.67 1.44 3.38 -1.24 -2.47 115.31 113.77 1yca h LEU 76 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yca h LEU 76 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1yca h LEU 76 CO 0.05 0.26 0.00 0.11 0.09 0.00 0.00 178.44 178.95 1yca h LYS 77 N 0.60 0.00 0.00 1.13 1.57 -1.59 0.13 116.57 118.41 1yca h LYS 77 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1yca h LYS 77 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1yca h LYS 77 CO -0.27 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.24 1yca n LYS 78 N -2.98 0.12 -4.19 3.15 4.01 -0.93 -4.96 118.16 112.38 1yca n LYS 78 Ca -0.02 0.01 -0.37 0.00 -0.51 0.00 0.00 58.31 57.42 1yca n LYS 78 Cb 0.09 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.06 1yca n LYS 78 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1yca n LYS 79 N -1.44 -0.84 0.00 1.97 5.02 0.45 0.25 118.16 123.57 1yca n LYS 79 Ca 0.09 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1yca n LYS 79 Cb 0.30 -3.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 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 -2.35 3.05 2.82 0.72 0.00 -1.26 -4.68 105.19 103.49 1yca n GLY 80 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.11 2.68 -0.05 1.61 8.25 0.71 -4.66 115.22 122.65 1yca n HIS 81 Ca 0.00 -2.72 0.02 0.00 -0.26 0.00 0.00 57.72 54.76 1yca n HIS 81 Cb 0.00 -1.71 0.06 0.00 1.12 0.00 0.00 29.99 29.45 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 2.64 0.17 -0.35 4.41 1.44 -1.26 -4.81 115.22 117.45 1yca n HIS 82 Ca 0.41 -0.46 0.28 0.00 -2.01 0.00 0.00 57.72 55.94 1yca n HIS 82 Cb 0.33 -0.04 0.54 0.00 0.12 0.00 0.00 29.99 30.94 1yca n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1yca h GLU 83 N 0.80 0.19 -0.25 -1.40 3.07 -1.99 0.42 114.58 115.42 1yca h GLU 83 Ca 0.00 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 1yca h GLU 83 Cb 0.56 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1yca h GLU 83 CO 0.00 0.13 -0.56 0.00 -1.40 0.00 0.00 179.01 177.18 1yca h ALA 84 N 1.84 0.54 0.00 3.43 0.00 -2.00 -1.39 119.26 121.67 1yca h ALA 84 Ca 0.78 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1yca h ALA 84 Cb 1.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1yca h ALA 84 CO -0.60 0.69 -0.83 0.93 0.00 0.00 0.00 179.25 179.43 1yca h GLU 85 N 0.58 0.00 0.03 0.00 3.07 -1.52 -3.37 114.58 113.37 1yca h GLU 85 Ca 0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1yca h GLU 85 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1yca h GLU 85 CO 0.12 0.58 -0.01 1.25 -1.40 0.00 0.00 179.01 179.54 1yca h LEU 86 N 0.00 -0.03 -0.83 1.33 5.85 -0.00 -3.37 115.31 118.25 1yca h LEU 86 Ca -0.05 -0.59 0.13 0.00 0.84 0.00 0.00 57.88 58.21 1yca h LEU 86 Cb 1.54 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.44 1yca h LEU 86 CO 0.08 0.60 -0.33 0.41 -0.34 0.00 0.00 178.44 178.85 1yca n THR 87 N -4.80 -0.44 -0.34 1.05 -1.04 -0.55 0.82 114.28 108.97 1yca n THR 87 Ca -0.09 1.96 0.00 0.00 -2.04 0.00 0.00 64.05 63.88 1yca n THR 87 Cb 0.31 -2.58 0.17 0.00 -1.82 0.00 0.00 70.33 66.41 1yca n THR 87 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1yca h PRO 88 N 0.00 1.18 -0.25 -2.82 0.11 -1.74 0.53 132.00 129.01 1yca h PRO 88 Ca 0.28 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 1yca h PRO 88 Cb 0.49 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1yca h PRO 88 CO -0.83 0.78 -0.55 1.25 -0.21 0.00 0.00 178.00 178.44 1yca h LEU 89 N 1.21 0.84 -0.47 2.35 5.85 0.26 -0.98 115.31 124.37 1yca h LEU 89 Ca 0.37 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1yca h LEU 89 Cb -0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1yca h LEU 89 CO -0.11 1.22 -0.04 0.00 -0.34 0.00 0.00 178.44 179.17 1yca h ALA 90 N 0.80 0.64 0.73 1.25 0.00 0.35 -1.45 119.26 121.57 1yca h ALA 90 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1yca h ALA 90 Cb 1.14 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1yca h ALA 90 CO 0.12 0.47 -0.35 1.96 0.00 0.00 0.00 179.25 181.45 1yca h GLN 91 N 0.70 -0.94 -0.42 0.00 4.20 0.17 -1.85 115.11 116.97 1yca h GLN 91 Ca 0.13 0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1yca h GLN 91 Cb 0.56 0.21 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 1yca h GLN 91 CO 0.03 -0.63 -0.04 0.66 -0.67 0.00 0.00 178.83 178.18 1yca h SER 92 N -1.02 -0.27 0.79 1.46 4.64 -1.16 -0.93 113.55 117.06 1yca h SER 92 Ca -0.10 0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1yca h SER 92 Cb 0.75 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1yca h SER 92 CO 0.16 -0.09 -0.20 0.45 -0.87 0.00 0.00 176.83 176.28 1yca h HIS 93 N 0.06 0.00 0.00 4.77 3.86 -1.31 0.47 115.15 123.01 1yca h HIS 93 Ca 0.21 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1yca h HIS 93 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1yca h HIS 93 CO -0.32 0.20 -0.25 0.00 0.86 0.00 0.00 177.93 178.42 1yca h ALA 94 N 1.80 0.05 0.04 2.45 0.00 -0.70 0.67 119.26 123.57 1yca h ALA 94 Ca -0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 54.91 53.90 1yca h ALA 94 Cb 0.65 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1yca h ALA 94 CO 0.03 0.14 -2.31 0.25 0.00 0.00 0.00 179.25 177.35 1yca n THR 95 N -4.58 1.59 -0.08 0.00 -2.24 -0.41 -4.12 114.28 104.44 1yca n THR 95 Ca -0.14 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 1yca n THR 95 Cb 0.51 -1.52 -0.12 0.00 -2.10 0.00 0.00 70.33 67.10 1yca n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1yca n LYS 96 N -3.33 0.64 0.03 -0.78 4.81 -0.36 -4.59 118.16 114.58 1yca n LYS 96 Ca -0.41 0.38 0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1yca n LYS 96 Cb 1.01 -1.67 0.22 0.00 0.02 0.00 0.00 35.03 34.61 1yca n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1yca n HIS 97 N -3.98 0.29 -3.51 5.64 -0.00 0.15 -4.97 115.22 108.84 1yca n HIS 97 Ca -0.37 0.08 -0.25 0.00 -0.00 0.00 0.00 57.72 57.18 1yca n HIS 97 Cb 0.86 -0.47 0.05 0.00 -0.00 0.00 0.00 29.99 30.43 1yca n HIS 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1yca n LYS 98 N -1.83 -1.57 -3.70 -0.41 5.02 -0.58 -4.96 118.16 110.12 1yca n LYS 98 Ca 0.04 0.64 -0.38 0.00 -2.02 0.00 0.00 58.31 56.59 1yca n LYS 98 Cb 0.39 -4.73 -0.12 0.00 -0.02 0.00 0.00 35.03 30.55 1yca n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1yca s ILE 99 N -3.41 4.45 0.81 -0.18 -1.09 0.23 -5.03 121.20 116.97 1yca s ILE 99 Ca 0.45 -0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.44 1yca s ILE 99 Cb -0.12 -3.19 0.08 0.00 -1.58 0.00 0.00 42.46 37.65 1yca s ILE 99 CO 0.82 0.19 1.13 -2.16 -1.23 0.00 0.00 174.94 173.68 1yca s PRO 100 N 1.61 1.84 0.42 2.79 0.04 -1.26 -4.73 135.00 135.71 1yca s PRO 100 Ca 0.05 1.41 0.20 0.00 0.04 0.00 0.00 61.00 62.70 1yca s PRO 100 Cb -0.16 -1.83 0.95 0.00 0.04 0.00 0.00 34.50 33.50 1yca s PRO 100 CO 0.05 -2.00 1.88 0.28 0.04 0.00 0.00 177.00 177.25 1yca h VAL 101 N -1.18 0.89 -0.38 -0.36 2.07 -1.87 -3.02 116.25 112.41 1yca h VAL 101 Ca -0.44 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.06 1yca h VAL 101 Cb 1.25 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 1yca h VAL 101 CO 0.48 0.28 -0.11 0.50 0.02 0.00 0.00 177.57 178.74 1yca h LYS 102 N 0.00 -0.02 -0.38 1.57 3.64 -1.91 -1.13 116.57 118.35 1yca h LYS 102 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1yca h LYS 102 Cb 0.63 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1yca h LYS 102 CO 0.04 -0.01 0.26 1.88 -2.27 0.00 0.00 179.45 179.34 1yca h TYR 103 N -0.02 0.25 -0.27 1.91 -1.99 -1.87 -0.06 116.97 114.93 1yca h TYR 103 Ca 0.18 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 1yca h TYR 103 Cb 0.30 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1yca h TYR 103 CO -0.35 0.14 0.07 -0.07 -0.00 0.00 0.00 178.16 177.95 1yca h LEU 104 N 0.25 0.34 -0.42 3.88 3.38 -1.30 0.92 115.31 122.36 1yca h LEU 104 Ca 0.17 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1yca h LEU 104 Cb 0.34 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1yca h LEU 104 CO -0.03 0.34 -0.52 -0.08 0.09 0.00 0.00 178.44 178.25 1yca h GLU 105 N 0.38 0.74 -0.56 1.13 4.81 -0.90 0.25 114.58 120.42 1yca h GLU 105 Ca 0.09 -0.45 -0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1yca h GLU 105 Cb 0.14 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1yca h GLU 105 CO -0.01 1.08 0.17 0.74 -0.73 0.00 0.00 179.01 180.26 1yca h PHE 106 N 0.58 0.91 0.00 0.92 0.04 -0.23 0.20 116.94 119.36 1yca h PHE 106 Ca 0.02 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 1yca h PHE 106 Cb 1.09 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1yca h PHE 106 CO 0.06 0.77 -0.19 0.97 -0.60 0.00 0.00 178.31 179.32 1yca h ILE 107 N 0.79 0.41 -0.37 -0.55 2.10 -0.65 -2.12 117.51 117.12 1yca h ILE 107 Ca 0.18 -1.21 -0.06 0.00 1.08 0.00 0.00 64.86 64.86 1yca h ILE 107 Cb 0.29 1.90 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1yca h ILE 107 CO -0.00 0.19 -0.00 0.28 -1.08 0.00 0.00 178.15 177.54 1yca h SER 108 N 0.00 0.64 -0.13 2.19 0.02 -0.62 0.34 113.55 115.99 1yca h SER 108 Ca -0.00 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.54 1yca h SER 108 Cb 0.88 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1yca h SER 108 CO 0.03 0.79 -0.23 1.05 -1.14 0.00 0.00 176.83 177.33 1yca h GLU 109 N 0.47 0.57 -0.53 3.45 4.11 -0.65 0.18 114.58 122.18 1yca h GLU 109 Ca 0.11 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1yca h GLU 109 Cb 0.46 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1yca h GLU 109 CO 0.02 0.76 0.25 0.00 0.07 0.00 0.00 179.01 180.11 1yca h ALA 110 N 1.25 0.69 -0.38 1.06 0.00 -1.22 0.21 119.26 120.86 1yca h ALA 110 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yca h ALA 110 Cb 0.67 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1yca h ALA 110 CO 0.05 0.26 0.22 0.82 0.00 0.00 0.00 179.25 180.60 1yca h ILE 111 N 0.72 1.13 -0.54 0.00 2.04 -0.41 0.11 117.51 120.56 1yca h ILE 111 Ca 0.18 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1yca h ILE 111 Cb 0.12 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1yca h ILE 111 CO -0.02 0.14 0.07 0.40 0.00 0.00 0.00 178.15 178.73 1yca h ILE 112 N 0.50 1.24 -0.84 -0.67 2.04 -0.45 -2.01 117.51 117.32 1yca h ILE 112 Ca 0.14 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1yca h ILE 112 Cb 0.02 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1yca h ILE 112 CO -0.02 0.35 0.53 1.56 0.00 0.00 0.00 178.15 180.56 1yca h GLN 113 N 0.83 0.97 -0.30 2.37 4.20 -0.20 0.17 115.11 123.15 1yca h GLN 113 Ca 0.17 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1yca h GLN 113 Cb 0.39 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1yca h GLN 113 CO 0.01 0.64 -0.20 0.28 -0.67 0.00 0.00 178.83 178.89 1yca h VAL 114 N 1.00 1.30 -0.61 -0.54 2.07 -0.48 -0.94 116.25 118.05 1yca h VAL 114 Ca 0.35 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 1yca h VAL 114 Cb 0.08 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1yca h VAL 114 CO -0.14 0.43 0.10 -0.07 0.02 0.00 0.00 177.57 177.91 1yca h LEU 115 N 0.40 0.97 -0.72 2.57 3.38 -0.76 0.83 115.31 121.98 1yca h LEU 115 Ca 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1yca h LEU 115 Cb 0.74 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1yca h LEU 115 CO 0.05 0.98 0.43 -0.61 0.09 0.00 0.00 178.44 179.39 1yca h GLN 116 N 0.92 0.98 -0.27 1.13 5.75 -0.65 0.67 115.11 123.64 1yca h GLN 116 Ca 0.19 -0.09 -0.15 0.00 -0.15 0.00 0.00 58.65 58.45 1yca h GLN 116 Cb 0.43 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1yca h GLN 116 CO 0.01 0.69 -0.41 0.77 -2.65 0.00 0.00 178.83 177.25 1yca h SER 117 N 0.98 0.82 0.71 -0.69 0.02 -0.95 -3.27 113.55 111.16 1yca h SER 117 Ca 0.26 -0.52 -0.26 0.00 -0.84 0.00 0.00 61.79 60.43 1yca h SER 117 Cb -0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1yca h SER 117 CO -0.05 1.18 -1.35 0.11 -1.14 0.00 0.00 176.83 175.58 1yca h LYS 118 N 0.49 0.06 -1.97 3.45 1.57 -0.66 -3.40 116.57 116.10 1yca h LYS 118 Ca 0.02 -0.10 -0.52 0.00 -1.87 0.00 0.00 60.65 58.19 1yca h LYS 118 Cb 1.00 0.04 -0.41 0.00 0.08 0.00 0.00 32.23 32.94 1yca h LYS 118 CO 0.09 0.86 -0.93 0.72 -0.57 0.00 0.00 179.45 179.62 1yca n HIS 119 N -3.27 2.15 -0.11 -1.35 8.25 0.23 -4.93 115.22 116.18 1yca n HIS 119 Ca -0.09 -3.72 -0.05 0.00 -0.26 0.00 0.00 57.72 53.60 1yca n HIS 119 Cb 1.00 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.72 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 2.95 0.11 -0.81 -0.41 0.13 -1.70 0.55 132.00 132.83 1yca h PRO 120 Ca 0.11 -0.01 0.22 0.00 -0.87 0.00 0.00 66.00 65.46 1yca h PRO 120 Cb 0.80 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 1yca h PRO 120 CO 0.66 0.08 0.57 0.78 -0.23 0.00 0.00 178.00 179.86 1yca h GLY 121 N 0.12 0.13 -0.55 1.56 0.00 -1.92 0.27 103.07 102.67 1yca h GLY 121 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1yca h GLY 121 CO -0.30 -0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.46 1yca n ASP 122 N -4.33 2.22 -3.22 0.19 9.92 -0.39 -4.72 116.55 116.22 1yca n ASP 122 Ca 0.16 -1.83 -0.28 0.00 -0.53 0.00 0.00 54.79 52.31 1yca n ASP 122 Cb 0.83 -0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 41.18 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 0.04 3.78 -1.13 1.24 7.35 0.18 -4.88 117.46 124.03 1yca n PHE 123 Ca 0.05 -3.97 -0.30 0.00 -0.76 0.00 0.00 57.45 52.46 1yca n PHE 123 Cb 0.29 -0.57 0.25 0.00 0.35 0.00 0.00 39.48 39.80 1yca n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1yca s GLY 124 N -2.90 1.61 0.19 7.13 0.00 -1.26 -4.58 107.32 107.51 1yca s GLY 124 Ca 0.44 -1.11 -0.12 0.00 0.00 0.00 0.00 44.72 43.93 1yca s GLY 124 CO -0.07 -0.17 1.71 0.00 0.00 0.00 0.00 173.10 174.57 1yca h ALA 125 N -2.67 0.59 0.58 3.20 0.00 -1.97 0.29 119.26 119.29 1yca h ALA 125 Ca -0.42 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1yca h ALA 125 Cb 1.28 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1yca h ALA 125 CO 0.28 -0.30 -0.28 -0.44 0.00 0.00 0.00 179.25 178.51 1yca h ASP 126 N 0.25 -0.66 -0.56 0.00 3.32 -1.99 -0.15 116.42 116.62 1yca h ASP 126 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1yca h ASP 126 Cb 0.36 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1yca h ASP 126 CO -0.34 -0.44 0.37 0.00 -1.72 0.00 0.00 179.24 177.11 1yca h ALA 127 N -0.43 0.72 -0.51 3.45 0.00 -1.85 -0.91 119.26 119.72 1yca h ALA 127 Ca -0.08 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1yca h ALA 127 Cb 0.62 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1yca h ALA 127 CO 0.13 0.16 0.06 1.96 0.00 0.00 0.00 179.25 181.57 1yca h GLN 128 N 0.76 0.18 -0.61 0.00 4.20 -0.84 -0.24 115.11 118.56 1yca h GLN 128 Ca 0.21 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 1yca h GLN 128 Cb -0.07 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1yca h GLN 128 CO -0.04 0.12 0.06 0.78 -0.67 0.00 0.00 178.83 179.07 1yca h GLY 129 N 0.19 1.10 0.76 3.46 0.00 -0.63 0.31 103.07 108.25 1yca h GLY 129 Ca 0.26 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1yca h GLY 129 CO -0.38 0.69 -0.08 0.00 0.00 0.00 0.00 176.54 176.77 1yca h ALA 130 N 1.10 0.23 -0.99 3.60 0.00 -0.31 -2.84 119.26 120.06 1yca h ALA 130 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1yca h ALA 130 Cb 0.47 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1yca h ALA 130 CO 0.02 0.04 0.65 1.98 0.00 0.00 0.00 179.25 181.93 1yca h MET 131 N 0.01 1.23 -0.95 0.00 -1.53 -0.99 -1.31 114.93 111.40 1yca h MET 131 Ca 0.04 -0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1yca h MET 131 Cb 0.56 -0.28 -0.05 0.00 -0.55 0.00 0.00 31.60 31.28 1yca h MET 131 CO 0.02 0.82 0.57 0.77 0.14 0.00 0.00 176.91 179.23 1yca h SER 132 N 1.27 1.14 -0.42 1.39 0.02 -0.91 0.74 113.55 116.78 1yca h SER 132 Ca 0.38 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.18 1yca h SER 132 Cb -0.04 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1yca h SER 132 CO -0.11 0.88 -0.02 0.11 -1.14 0.00 0.00 176.83 176.54 1yca h LYS 133 N 1.31 0.83 -0.54 3.45 1.57 -1.15 0.33 116.57 122.37 1yca h LYS 133 Ca 0.34 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1yca h LYS 133 Cb -0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1yca h LYS 133 CO -0.06 0.85 -0.08 0.00 -0.57 0.00 0.00 179.45 179.58 1yca h ALA 134 N 1.20 0.74 -0.02 3.86 0.00 -0.86 0.14 119.26 124.32 1yca h ALA 134 Ca 0.14 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1yca h ALA 134 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1yca h ALA 134 CO 0.03 0.63 -0.63 -0.07 0.00 0.00 0.00 179.25 179.21 1yca h LEU 135 N 0.89 0.10 -0.76 0.00 3.38 -0.52 -1.52 115.31 116.88 1yca h LEU 135 Ca 0.14 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1yca h LEU 135 Cb 0.65 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1yca h LEU 135 CO 0.04 0.70 -0.12 -0.08 0.09 0.00 0.00 178.44 179.08 1yca h GLU 136 N 0.06 0.82 -0.69 1.13 4.81 0.07 -0.68 114.58 120.09 1yca h GLU 136 Ca -0.01 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1yca h GLU 136 Cb 1.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1yca h GLU 136 CO 0.09 0.90 0.15 1.25 -0.73 0.00 0.00 179.01 180.66 1yca h LEU 137 N 0.73 1.07 -0.53 1.64 5.85 -0.60 -0.40 115.31 123.08 1yca h LEU 137 Ca 0.12 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1yca h LEU 137 Cb 0.62 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1yca h LEU 137 CO 0.04 1.04 0.16 0.15 -0.34 0.00 0.00 178.44 179.49 1yca h PHE 138 N 1.05 0.86 -0.11 1.25 3.04 -0.79 -1.11 116.94 121.13 1yca h PHE 138 Ca 0.21 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 62.09 1yca h PHE 138 Cb 0.40 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 1yca h PHE 138 CO 0.03 0.74 0.01 0.00 -2.02 0.00 0.00 178.31 177.07 1yca h ARG 139 N 0.73 0.05 -0.81 1.11 3.08 -0.85 -0.94 114.38 116.76 1yca h ARG 139 Ca 0.17 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1yca h ARG 139 Cb 0.29 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1yca h ARG 139 CO -0.00 0.03 0.37 -0.91 -1.07 0.00 0.00 179.97 178.39 1yca h ASN 140 N 0.05 1.07 -0.33 7.04 -0.26 -0.98 1.30 115.58 123.47 1yca h ASN 140 Ca 0.05 -0.14 -0.09 0.00 -0.56 0.00 0.00 56.30 55.56 1yca h ASN 140 Cb 0.05 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 1yca h ASN 140 CO -0.08 0.91 -0.12 0.44 -1.06 0.00 0.00 177.43 177.53 1yca h ASP 141 N 1.16 0.75 -0.25 5.81 3.32 -0.72 -1.59 116.42 124.91 1yca h ASP 141 Ca 0.28 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1yca h ASP 141 Cb 0.14 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1yca h ASP 141 CO -0.03 0.90 -0.31 0.24 -1.72 0.00 0.00 179.24 178.32 1yca h MET 142 N 0.69 0.65 -0.70 3.56 2.86 -0.57 -1.13 114.93 120.28 1yca h MET 142 Ca 0.12 -0.36 0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1yca h MET 142 Cb 0.60 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.23 1yca h MET 142 CO 0.04 0.97 0.39 0.00 1.06 0.00 0.00 176.91 179.37 1yca h ALA 143 N 0.66 0.94 -0.12 6.32 0.00 0.20 -1.44 119.26 125.84 1yca h ALA 143 Ca 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1yca h ALA 143 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1yca h ALA 143 CO 0.07 0.06 -0.47 0.00 0.00 0.00 0.00 179.25 178.92 1yca h ALA 144 N 1.37 1.00 -0.14 0.00 0.00 -1.18 -2.49 119.26 117.83 1yca h ALA 144 Ca 0.32 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1yca h ALA 144 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yca h ALA 144 CO -0.20 0.64 -0.57 0.87 0.00 0.00 0.00 179.25 179.99 1yca h LYS 145 N 0.23 0.42 0.21 0.00 1.79 -0.69 -2.43 116.57 116.11 1yca h LYS 145 Ca 0.01 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1yca h LYS 145 Cb 0.91 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1yca h LYS 145 CO 0.07 0.88 -0.11 1.88 -1.08 0.00 0.00 179.45 181.09 1yca h TYR 146 N 0.32 -0.29 -1.01 -1.35 -1.99 -0.93 -1.44 116.97 110.29 1yca h TYR 146 Ca 0.00 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.88 1yca h TYR 146 Cb 1.09 0.10 -0.10 0.00 2.00 0.00 0.00 36.73 39.82 1yca h TYR 146 CO 0.04 -0.18 0.62 0.87 -0.00 0.00 0.00 178.16 179.51 1yca h LYS 147 N -0.30 0.85 0.00 4.88 1.57 -1.43 0.56 116.57 122.70 1yca h LYS 147 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1yca h LYS 147 Cb 0.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1yca h LYS 147 CO 0.04 0.56 -0.10 -0.85 -0.57 0.00 0.00 179.45 178.52 1yca n GLU 148 N -4.69 0.24 0.00 3.15 0.28 -0.92 -2.69 120.64 116.01 1yca n GLU 148 Ca 0.21 0.17 0.12 0.00 -0.16 0.00 0.00 57.16 57.51 1yca n GLU 148 Cb 0.47 -1.75 0.27 0.00 1.43 0.00 0.00 31.44 31.85 1yca n GLU 148 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yca n LEU 149 N -2.16 1.47 -0.45 -1.84 4.77 0.17 -4.91 117.00 114.06 1yca n LEU 149 Ca 0.05 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1yca n LEU 149 Cb 0.42 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1yca n LEU 149 CO 0.31 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1yca n GLY 150 N 1.35 0.87 3.74 -0.72 0.00 -0.48 -5.09 105.19 104.85 1yca n GLY 150 Ca 0.12 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1yca n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yca s PHE 151 N -2.70 2.16 0.00 1.61 0.08 0.08 -4.99 117.98 114.22 1yca s PHE 151 Ca 0.00 -0.79 0.00 0.00 0.12 0.00 0.00 56.93 56.26 1yca s PHE 151 Cb 0.00 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1yca s PHE 151 CO 0.00 0.18 0.00 0.94 -0.10 0.00 0.00 175.22 176.24 1yca n GLN 152 N -1.25 0.00 0.00 0.44 7.27 -1.26 -3.83 117.38 118.75 1yca n GLN 152 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.98 1yca n GLN 152 Cb 0.66 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.31 1yca n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54