#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ioy n ALA 5 N 0.00 0.52 -0.34 4.37 0.00 -1.19 -1.59 120.51 122.29 3ioy n ALA 5 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3ioy n ALA 5 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3ioy n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ioy n GLY 6 N 1.77 2.06 3.84 0.00 0.00 -1.05 -4.95 105.19 106.86 3ioy n GLY 6 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3ioy n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ioy s ARG 7 N -0.10 4.02 -0.17 1.61 0.52 -0.62 -4.86 118.95 119.35 3ioy s ARG 7 Ca 0.00 0.92 -0.07 0.00 -0.52 0.00 0.00 55.73 56.06 3ioy s ARG 7 Cb 0.00 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 3ioy s ARG 7 CO 0.00 -0.12 0.05 0.99 0.02 0.00 0.00 175.30 176.24 3ioy s THR 8 N -2.39 4.67 0.15 0.02 2.01 -1.26 -0.92 115.64 117.92 3ioy s THR 8 Ca 0.58 -0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.59 3ioy s THR 8 Cb -0.10 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3ioy s THR 8 CO 0.24 0.47 -0.12 0.00 -0.69 0.00 0.00 174.62 174.52 3ioy s ALA 9 N 0.31 2.86 -0.18 7.40 0.00 0.82 -1.43 121.76 131.54 3ioy s ALA 9 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3ioy s ALA 9 Cb -0.13 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.30 3ioy s ALA 9 CO 0.01 0.54 -0.07 0.12 0.00 0.00 0.00 175.76 176.35 3ioy s PHE 10 N -1.45 1.98 -0.27 0.00 5.36 0.17 -1.02 117.98 122.76 3ioy s PHE 10 Ca 0.22 -1.28 -0.00 0.00 -0.96 0.00 0.00 56.93 54.91 3ioy s PHE 10 Cb -0.10 -1.44 0.04 0.00 -0.34 0.00 0.00 43.02 41.19 3ioy s PHE 10 CO 0.13 -0.67 -0.06 0.08 -1.46 0.00 0.00 175.22 173.24 3ioy s VAL 11 N 1.54 2.64 0.63 3.12 1.01 0.30 -0.85 120.40 128.79 3ioy s VAL 11 Ca -0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 61.98 60.52 3ioy s VAL 11 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3ioy s VAL 11 CO -0.08 0.04 1.04 0.42 0.00 0.00 0.00 175.10 176.52 3ioy s THR 12 N 1.23 4.45 -1.31 3.92 -4.23 -0.41 -0.37 115.64 118.91 3ioy s THR 12 Ca -0.04 0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 61.19 3ioy s THR 12 Cb -0.19 -3.69 0.11 0.00 1.34 0.00 0.00 72.50 70.07 3ioy s THR 12 CO -0.04 -0.99 0.50 0.61 -0.54 0.00 0.00 174.62 174.17 3ioy n GLY 13 N -2.33 -0.47 0.01 3.99 0.00 -0.55 -3.34 105.19 102.50 3ioy n GLY 13 Ca 0.07 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.32 3ioy n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ioy n GLY 14 N -1.11 -1.28 0.06 -0.02 0.00 -0.97 -3.97 105.19 97.91 3ioy n GLY 14 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 3ioy n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioy h ALA 15 N 3.40 0.33 -2.63 4.61 0.00 -1.87 -2.90 119.26 120.20 3ioy h ALA 15 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3ioy h ALA 15 Cb 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ioy h ALA 15 CO 0.00 1.22 0.00 0.27 0.00 0.00 0.00 179.25 180.74 3ioy n ASN 16 N -3.37 0.00 0.00 0.00 0.23 -1.26 -4.62 115.26 106.25 3ioy n ASN 16 Ca -0.01 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.46 3ioy n ASN 16 Cb 0.94 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 3ioy n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ioy n GLY 17 N 0.00 2.68 0.33 4.83 0.00 -1.26 -1.82 105.19 109.94 3ioy n GLY 17 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.85 3ioy n GLY 17 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ioy h VAL 18 N 0.00 0.87 -0.38 1.61 2.07 -1.91 -2.94 116.25 115.56 3ioy h VAL 18 Ca 0.00 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3ioy h VAL 18 Cb 0.00 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.70 3ioy h VAL 18 CO 0.00 0.15 0.08 1.23 0.02 0.00 0.00 177.57 179.05 3ioy h GLY 19 N 0.82 0.45 2.00 2.17 0.00 -1.49 0.52 103.07 107.55 3ioy h GLY 19 Ca 0.45 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 3ioy h GLY 19 CO -0.28 -0.03 -0.45 1.19 0.00 0.00 0.00 176.54 176.97 3ioy h ILE 20 N 0.21 1.22 0.10 2.60 6.09 -1.38 -0.15 117.51 126.21 3ioy h ILE 20 Ca 0.18 -1.59 -0.00 0.00 -1.37 0.00 0.00 64.86 62.07 3ioy h ILE 20 Cb 0.21 1.88 0.00 0.00 0.47 0.00 0.00 36.82 39.38 3ioy h ILE 20 CO -0.23 0.44 -0.05 1.23 -3.07 0.00 0.00 178.15 176.47 3ioy h GLY 21 N 1.55 -0.14 0.99 8.18 0.00 -1.18 -0.97 103.07 111.49 3ioy h GLY 21 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3ioy h GLY 21 CO 0.06 -0.05 0.27 1.41 0.00 0.00 0.00 176.54 178.23 3ioy h LEU 22 N -0.16 0.55 -0.13 3.11 3.38 -0.62 -2.08 115.31 119.35 3ioy h LEU 22 Ca -0.01 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ioy h LEU 22 Cb 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3ioy h LEU 22 CO 0.02 0.45 -0.08 0.58 0.09 0.00 0.00 178.44 179.51 3ioy h VAL 23 N 0.61 0.75 -0.38 1.22 2.07 -0.94 0.74 116.25 120.32 3ioy h VAL 23 Ca 0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3ioy h VAL 23 Cb 0.00 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3ioy h VAL 23 CO -0.03 0.00 0.13 -0.09 0.02 0.00 0.00 177.57 177.60 3ioy h ARG 24 N -0.08 0.58 -0.33 1.57 2.43 -1.08 0.18 114.38 117.65 3ioy h ARG 24 Ca 0.08 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 3ioy h ARG 24 Cb 0.19 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3ioy h ARG 24 CO -0.18 0.58 -0.34 1.96 -1.51 0.00 0.00 179.97 180.47 3ioy h GLN 25 N 0.47 0.73 -0.40 0.20 1.08 -1.21 -0.35 115.11 115.62 3ioy h GLN 25 Ca 0.12 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 3ioy h GLN 25 Cb 0.23 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3ioy h GLN 25 CO -0.01 0.97 0.11 -0.07 -0.95 0.00 0.00 178.83 178.88 3ioy h LEU 26 N 0.61 0.60 -1.09 1.46 -0.00 -0.57 -2.14 115.31 114.18 3ioy h LEU 26 Ca 0.06 -0.22 0.09 0.00 -0.00 0.00 0.00 57.88 57.81 3ioy h LEU 26 Cb 0.87 -0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 41.30 3ioy h LEU 26 CO 0.08 0.67 0.61 -0.07 -0.00 0.00 0.00 178.44 179.73 3ioy h LEU 27 N 0.51 0.92 0.00 1.67 3.38 -0.33 -1.58 115.31 119.88 3ioy h LEU 27 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ioy h LEU 27 Cb 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ioy h LEU 27 CO -0.00 0.55 0.00 0.59 0.09 0.00 0.00 178.44 179.67 3ioy n ASN 28 N -4.53 0.00 -0.91 -0.43 3.02 -0.17 -1.24 115.26 111.00 3ioy n ASN 28 Ca 0.16 -0.18 0.11 0.00 -0.03 0.00 0.00 54.58 54.64 3ioy n ASN 28 Cb 0.26 -0.21 0.27 0.00 -0.61 0.00 0.00 39.78 39.49 3ioy n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ioy n GLN 29 N -1.21 2.19 -0.78 3.52 1.13 -0.63 -4.96 117.38 116.63 3ioy n GLN 29 Ca 0.12 -1.79 0.00 0.00 -1.94 0.00 0.00 57.00 53.38 3ioy n GLN 29 Cb 0.14 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.04 3ioy n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ioy n GLY 30 N 1.35 0.58 3.82 1.08 0.00 -0.38 -3.18 105.19 108.46 3ioy n GLY 30 Ca 0.18 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3ioy n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioy s LYS 32 N -3.71 4.46 -0.07 0.00 1.02 -0.10 -4.43 119.74 116.92 3ioy s LYS 32 Ca 0.63 1.01 0.01 0.00 0.02 0.00 0.00 55.97 57.63 3ioy s LYS 32 Cb -0.13 -3.35 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3ioy s LYS 32 CO 0.27 0.32 -0.06 0.08 -0.92 0.00 0.00 175.35 175.04 3ioy s VAL 33 N -0.16 0.74 -0.27 3.17 1.01 -0.08 -0.13 120.40 124.69 3ioy s VAL 33 Ca 0.37 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 3ioy s VAL 33 Cb -0.20 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3ioy s VAL 33 CO 0.22 0.29 0.54 0.00 0.00 0.00 0.00 175.10 176.15 3ioy s ALA 34 N 1.19 3.58 -0.32 5.51 0.00 -0.19 -1.18 121.76 130.36 3ioy s ALA 34 Ca -0.06 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.03 3ioy s ALA 34 Cb -0.14 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.06 3ioy s ALA 34 CO -0.02 -0.80 0.95 0.42 0.00 0.00 0.00 175.76 176.32 3ioy s ILE 35 N 2.37 4.63 -0.15 0.00 1.01 0.78 -0.54 121.20 129.29 3ioy s ILE 35 Ca 0.22 1.47 -0.05 0.00 0.00 0.00 0.00 60.65 62.30 3ioy s ILE 35 Cb -0.16 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 3ioy s ILE 35 CO 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 174.94 174.65 3ioy s ALA 36 N 3.36 3.22 0.11 9.38 0.00 0.50 -0.66 121.76 137.67 3ioy s ALA 36 Ca 0.40 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 3ioy s ALA 36 Cb -0.13 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.35 3ioy s ALA 36 CO 0.14 0.29 0.43 0.34 0.00 0.00 0.00 175.76 176.96 3ioy s ASP 37 N 0.08 -0.29 0.30 0.00 3.68 -1.02 -1.49 116.67 117.93 3ioy s ASP 37 Ca 0.02 -0.19 0.15 0.00 2.13 0.00 0.00 52.55 54.66 3ioy s ASP 37 Cb -0.13 0.48 0.33 0.00 -1.45 0.00 0.00 42.92 42.15 3ioy s ASP 37 CO 0.02 -0.81 1.57 -0.29 0.13 0.00 0.00 175.17 175.78 3ioy h ILE 38 N 2.50 1.07 -3.65 4.11 2.10 -1.76 0.11 117.51 121.99 3ioy h ILE 38 Ca -0.33 -2.08 -0.67 0.00 1.08 0.00 0.00 64.86 62.86 3ioy h ILE 38 Cb 1.25 2.23 -0.23 0.00 -1.09 0.00 0.00 36.82 38.98 3ioy h ILE 38 CO 0.45 0.52 -0.58 -0.13 -1.08 0.00 0.00 178.15 177.33 3ioy s ARG 39 N -3.29 3.37 0.23 2.19 0.52 -1.26 -4.64 118.95 116.06 3ioy s ARG 39 Ca 0.01 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.47 3ioy s ARG 39 Cb 0.10 -3.48 0.35 0.00 0.52 0.00 0.00 34.95 32.44 3ioy s ARG 39 CO 0.73 -0.37 1.79 0.37 0.02 0.00 0.00 175.30 177.84 3ioy h GLN 40 N 8.31 0.64 0.00 3.54 5.75 -1.99 -2.73 115.11 128.62 3ioy h GLN 40 Ca -0.33 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.01 3ioy h GLN 40 Cb 1.15 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 3ioy h GLN 40 CO 0.60 0.42 -0.58 0.38 -2.65 0.00 0.00 178.83 177.01 3ioy h ASP 41 N 0.66 0.00 -0.08 -0.69 -0.00 -1.99 -2.20 116.42 112.11 3ioy h ASP 41 Ca 0.36 0.00 0.03 0.00 -0.00 0.00 0.00 57.03 57.42 3ioy h ASP 41 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.66 3ioy h ASP 41 CO -0.26 0.58 -0.09 0.28 -0.00 0.00 0.00 179.24 179.75 3ioy h SER 42 N 0.00 -0.29 -0.23 4.15 0.02 -1.92 -0.06 113.55 115.22 3ioy h SER 42 Ca -0.01 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3ioy h SER 42 Cb 1.23 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.84 3ioy h SER 42 CO 0.08 -0.13 -0.21 0.40 -1.14 0.00 0.00 176.83 175.83 3ioy h ILE 43 N -0.12 0.45 -0.95 3.27 2.04 -1.35 -1.02 117.51 119.82 3ioy h ILE 43 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3ioy h ILE 43 Cb 0.22 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3ioy h ILE 43 CO -0.16 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.05 3ioy h ASP 44 N -0.21 1.10 -0.48 1.72 3.32 -0.97 0.24 116.42 121.14 3ioy h ASP 44 Ca 0.13 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ioy h ASP 44 Cb 0.42 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3ioy h ASP 44 CO -0.36 0.81 0.29 0.11 -1.72 0.00 0.00 179.24 178.36 3ioy h LYS 45 N 1.29 0.65 -0.53 3.56 1.57 -0.72 -0.95 116.57 121.45 3ioy h LYS 45 Ca 0.35 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 3ioy h LYS 45 Cb -0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3ioy h LYS 45 CO -0.07 0.48 0.02 0.00 -0.57 0.00 0.00 179.45 179.30 3ioy h ALA 46 N 1.14 0.71 -0.21 3.86 0.00 -0.14 -1.45 119.26 123.17 3ioy h ALA 46 Ca 0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3ioy h ALA 46 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ioy h ALA 46 CO -0.03 0.51 -0.11 -0.07 0.00 0.00 0.00 179.25 179.55 3ioy h LEU 47 N 0.79 0.31 0.07 0.00 3.38 -0.37 -2.26 115.31 117.23 3ioy h LEU 47 Ca 0.15 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ioy h LEU 47 Cb 0.50 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ioy h LEU 47 CO 0.02 0.45 -0.03 0.00 0.09 0.00 0.00 178.44 178.97 3ioy h ALA 48 N 1.59 -0.09 -0.87 1.53 0.00 -0.82 -1.56 119.26 119.04 3ioy h ALA 48 Ca 0.06 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.94 3ioy h ALA 48 Cb 0.38 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 3ioy h ALA 48 CO 0.02 -0.31 0.39 1.15 0.00 0.00 0.00 179.25 180.50 3ioy h THR 49 N -0.57 0.57 0.14 0.00 2.02 -1.20 -1.67 112.91 112.20 3ioy h THR 49 Ca -0.01 -0.16 -0.28 0.00 0.77 0.00 0.00 66.41 66.73 3ioy h THR 49 Cb 0.48 0.06 0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3ioy h THR 49 CO 0.02 0.09 -1.25 -0.07 0.37 0.00 0.00 175.52 174.67 3ioy h LEU 50 N 0.47 0.60 -0.79 2.58 3.38 -1.34 -3.11 115.31 117.08 3ioy h LEU 50 Ca 0.51 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ioy h LEU 50 Cb 0.89 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3ioy h LEU 50 CO -0.47 1.45 0.45 -0.08 0.09 0.00 0.00 178.44 179.87 3ioy h GLU 51 N 0.14 1.10 0.00 1.13 4.57 -1.10 -1.01 114.58 119.40 3ioy h GLU 51 Ca -0.16 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3ioy h GLU 51 Cb 1.95 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.32 3ioy h GLU 51 CO 0.22 0.80 0.08 0.00 -1.18 0.00 0.00 179.01 178.93 3ioy n ALA 52 N -2.37 0.88 0.00 2.92 0.00 -0.64 -4.54 120.51 116.76 3ioy n ALA 52 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3ioy n ALA 52 Cb 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3ioy n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ioy n GLU 53 N -1.16 0.00 0.00 0.00 1.02 -0.39 -5.09 120.64 115.02 3ioy n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3ioy n GLU 53 Cb 0.08 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 3ioy n GLU 53 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ioy n SER 55 N -2.59 0.00 0.00 1.62 2.88 -1.26 -5.11 113.62 109.16 3ioy n SER 55 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ioy n SER 55 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3ioy n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ioy n GLY 56 N 0.00 0.55 0.20 0.46 0.00 -1.26 -4.54 105.19 100.60 3ioy n GLY 56 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3ioy n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ioy h PRO 57 N 0.00 0.00 -0.02 1.61 0.10 -2.01 -2.67 132.00 129.01 3ioy h PRO 57 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 3ioy h PRO 57 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.10 3ioy h PRO 57 CO 0.00 0.00 -0.02 -0.85 0.10 0.00 0.00 178.00 177.23 3ioy n GLU 58 N -2.25 1.05 -5.14 1.05 0.28 -1.26 -4.97 120.64 109.40 3ioy n GLU 58 Ca -0.01 -1.30 -0.31 0.00 -0.16 0.00 0.00 57.16 55.38 3ioy n GLU 58 Cb 0.28 -1.27 -0.15 0.00 1.43 0.00 0.00 31.44 31.73 3ioy n GLU 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ioy s VAL 59 N -1.23 2.08 0.12 3.84 0.11 -1.01 -0.90 120.40 123.41 3ioy s VAL 59 Ca 0.16 -1.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 3ioy s VAL 59 Cb 0.12 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 3ioy s VAL 59 CO 0.19 0.49 -0.04 0.00 -3.33 0.00 0.00 175.10 172.41 3ioy s MET 60 N -0.88 0.91 0.06 1.54 0.23 -0.32 -4.94 119.30 115.90 3ioy s MET 60 Ca 0.11 -1.40 0.10 0.00 -1.03 0.00 0.00 55.69 53.47 3ioy s MET 60 Cb -0.10 -0.19 -0.03 0.00 -1.53 0.00 0.00 34.83 32.98 3ioy s MET 60 CO 0.00 -0.07 -0.26 0.20 -2.03 0.00 0.00 175.02 172.86 3ioy s GLY 61 N -3.08 1.43 -0.06 3.16 0.00 -1.26 -0.15 107.32 107.36 3ioy s GLY 61 Ca 0.16 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.55 3ioy s GLY 61 CO -0.02 -1.20 0.10 0.54 0.00 0.00 0.00 173.10 172.52 3ioy s VAL 62 N -0.85 -0.16 0.16 1.40 0.11 0.17 -4.92 120.40 116.31 3ioy s VAL 62 Ca 0.12 0.37 -0.31 0.00 -2.93 0.00 0.00 61.98 59.23 3ioy s VAL 62 Cb -0.10 -0.21 -0.09 0.00 -1.53 0.00 0.00 36.38 34.45 3ioy s VAL 62 CO 0.03 0.15 1.51 -1.58 -3.33 0.00 0.00 175.10 171.88 3ioy s GLN 63 N 2.07 4.25 -0.19 1.54 -0.44 -1.26 -2.44 119.66 123.18 3ioy s GLN 63 Ca 0.02 2.27 -0.13 0.00 -2.50 0.00 0.00 55.36 55.02 3ioy s GLN 63 Cb -0.12 -3.18 0.06 0.00 -1.64 0.00 0.00 33.01 28.13 3ioy s GLN 63 CO -0.04 -0.54 0.49 -1.17 0.50 0.00 0.00 175.29 174.52 3ioy s LEU 64 N 1.03 -0.16 -0.45 3.68 2.96 0.40 -4.87 118.68 121.26 3ioy s LEU 64 Ca 0.68 1.04 -0.15 0.00 -0.22 0.00 0.00 54.13 55.47 3ioy s LEU 64 Cb -0.42 1.66 0.06 0.00 0.50 0.00 0.00 46.19 47.99 3ioy s LEU 64 CO 0.32 -0.19 0.36 -0.62 -1.32 0.00 0.00 176.35 174.90 3ioy s ASP 65 N 0.99 6.13 0.59 3.68 -1.08 -1.26 -2.17 116.67 123.54 3ioy s ASP 65 Ca -0.06 -1.19 0.39 0.00 -0.52 0.00 0.00 52.55 51.17 3ioy s ASP 65 Cb -0.06 -2.17 2.06 0.00 -1.46 0.00 0.00 42.92 41.29 3ioy s ASP 65 CO -0.09 -0.58 2.19 -0.37 0.52 0.00 0.00 175.17 176.84 3ioy h VAL 66 N 5.72 0.00 0.00 1.11 -1.51 -1.94 -0.43 116.25 119.20 3ioy h VAL 66 Ca -0.28 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3ioy h VAL 66 Cb 1.11 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3ioy h VAL 66 CO 0.83 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.17 3ioy h ALA 67 N 2.01 1.00 -2.33 5.19 0.00 -1.88 -3.34 119.26 119.92 3ioy h ALA 67 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3ioy h ALA 67 Cb 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.70 3ioy h ALA 67 CO 0.00 0.00 -0.05 0.45 0.00 0.00 0.00 179.25 179.65 3ioy s SER 68 N -4.93 6.27 0.25 0.00 0.15 -0.17 -4.91 113.70 110.35 3ioy s SER 68 Ca 0.02 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 3ioy s SER 68 Cb 0.09 -2.27 0.28 0.00 -1.71 0.00 0.00 66.02 62.41 3ioy s SER 68 CO 0.45 -0.62 1.93 0.03 1.20 0.00 0.00 173.24 176.23 3ioy h ARG 69 N 8.71 1.30 -0.33 5.44 3.08 -1.87 0.69 114.38 131.40 3ioy h ARG 69 Ca -0.26 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.56 3ioy h ARG 69 Cb 1.11 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3ioy h ARG 69 CO 0.82 0.86 -0.38 1.49 -1.07 0.00 0.00 179.97 181.70 3ioy h GLU 70 N 1.34 0.84 -0.56 0.04 4.81 -1.96 -2.50 114.58 116.59 3ioy h GLU 70 Ca 0.37 -0.46 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3ioy h GLU 70 Cb -0.13 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3ioy h GLU 70 CO -0.09 1.10 0.34 0.78 -0.73 0.00 0.00 179.01 180.41 3ioy h GLY 71 N 0.63 0.80 0.95 1.92 0.00 -1.80 -1.92 103.07 103.65 3ioy h GLY 71 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3ioy h GLY 71 CO 0.09 0.21 0.18 -2.75 0.00 0.00 0.00 176.54 174.27 3ioy h PHE 72 N 0.67 0.53 -0.43 5.60 3.57 -0.82 -1.02 116.94 125.03 3ioy h PHE 72 Ca 0.23 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.76 3ioy h PHE 72 Cb 0.03 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 3ioy h PHE 72 CO -0.06 0.44 0.14 -0.22 -2.23 0.00 0.00 178.31 176.38 3ioy h LYS 73 N 0.46 0.28 -0.52 1.11 3.64 -1.19 -0.34 116.57 120.02 3ioy h LYS 73 Ca 0.13 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 3ioy h LYS 73 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ioy h LYS 73 CO -0.02 0.19 -0.11 0.52 -2.27 0.00 0.00 179.45 177.76 3ioy h MET 74 N 0.29 0.97 -0.49 1.90 2.86 -1.14 -1.45 114.93 117.88 3ioy h MET 74 Ca 0.21 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 3ioy h MET 74 Cb 0.21 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3ioy h MET 74 CO -0.23 1.02 0.18 0.00 1.06 0.00 0.00 176.91 178.94 3ioy h ALA 75 N 1.00 0.64 -0.60 6.32 0.00 -0.95 -1.42 119.26 124.25 3ioy h ALA 75 Ca 0.14 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ioy h ALA 75 Cb 0.65 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3ioy h ALA 75 CO 0.05 0.27 0.37 0.00 0.00 0.00 0.00 179.25 179.93 3ioy h ALA 76 N 1.03 0.78 -0.45 0.00 0.00 -0.87 -1.43 119.26 118.31 3ioy h ALA 76 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ioy h ALA 76 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ioy h ALA 76 CO -0.01 0.11 0.18 -0.44 0.00 0.00 0.00 179.25 179.09 3ioy h ASP 77 N 0.73 0.62 -0.04 0.00 3.32 -1.03 -1.07 116.42 118.95 3ioy h ASP 77 Ca 0.24 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ioy h ASP 77 Cb 0.01 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3ioy h ASP 77 CO -0.10 0.61 0.02 -0.08 -1.72 0.00 0.00 179.24 177.98 3ioy h GLU 78 N 0.59 0.05 -0.31 3.56 4.81 -1.07 0.05 114.58 122.26 3ioy h GLU 78 Ca 0.15 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3ioy h GLU 78 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3ioy h GLU 78 CO -0.01 0.09 0.17 0.28 -0.73 0.00 0.00 179.01 178.81 3ioy h VAL 79 N 0.00 1.02 0.00 0.32 2.07 -1.20 -2.21 116.25 116.26 3ioy h VAL 79 Ca 0.01 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3ioy h VAL 79 Cb 0.05 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ioy h VAL 79 CO -0.00 0.06 -0.38 -0.33 0.02 0.00 0.00 177.57 176.94 3ioy h GLU 80 N 0.36 0.00 -0.37 1.57 5.08 -1.02 0.13 114.58 120.32 3ioy h GLU 80 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3ioy h GLU 80 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3ioy h GLU 80 CO -0.07 0.38 -0.16 0.00 -1.00 0.00 0.00 179.01 178.16 3ioy h ALA 81 N 1.62 1.01 0.00 3.43 0.00 -0.76 -2.13 119.26 122.44 3ioy h ALA 81 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 3ioy h ALA 81 Cb 1.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ioy h ALA 81 CO 0.05 0.59 -0.82 -0.09 0.00 0.00 0.00 179.25 178.97 3ioy h ARG 82 N 0.62 0.00 0.00 0.00 2.43 -1.07 -3.42 114.38 112.94 3ioy h ARG 82 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3ioy h ARG 82 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3ioy h ARG 82 CO 0.04 0.88 -1.35 1.19 -1.51 0.00 0.00 179.97 179.23 3ioy n PHE 83 N -4.51 0.06 0.00 2.20 3.72 0.42 -5.10 117.46 114.26 3ioy n PHE 83 Ca -0.23 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3ioy n PHE 83 Cb 0.57 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3ioy n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ioy n GLY 84 N 1.39 1.14 3.64 1.37 0.00 -0.80 -4.81 105.19 107.12 3ioy n GLY 84 Ca 0.01 -2.07 -0.51 0.00 0.00 0.00 0.00 46.02 43.45 3ioy n GLY 84 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ioy n PRO 85 N 0.94 1.52 -2.45 1.61 -0.02 -1.26 -4.27 135.00 131.07 3ioy n PRO 85 Ca 0.00 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3ioy n PRO 85 Cb 0.00 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 3ioy n PRO 85 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ioy s VAL 86 N 1.41 4.21 -0.12 -1.45 1.01 -1.26 -4.32 120.40 119.88 3ioy s VAL 86 Ca 0.86 1.55 0.01 0.00 0.00 0.00 0.00 61.98 64.40 3ioy s VAL 86 Cb -0.87 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 31.52 3ioy s VAL 86 CO 0.48 0.03 0.43 -1.54 0.00 0.00 0.00 175.10 174.49 3ioy n SER 87 N 4.91 0.87 -3.87 3.32 3.41 -0.51 -4.85 113.62 116.91 3ioy n SER 87 Ca 0.10 -0.94 -0.27 0.00 -0.26 0.00 0.00 58.87 57.51 3ioy n SER 87 Cb 0.46 0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 64.45 3ioy n SER 87 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ioy s ILE 88 N -0.30 0.92 -0.17 -1.33 1.01 -1.08 -0.28 121.20 119.97 3ioy s ILE 88 Ca 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3ioy s ILE 88 Cb 0.01 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.47 3ioy s ILE 88 CO 0.02 0.26 -0.20 -0.22 0.00 0.00 0.00 174.94 174.80 3ioy s LEU 89 N 1.74 2.16 -0.35 2.97 2.96 0.02 -0.66 118.68 127.51 3ioy s LEU 89 Ca 0.04 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 3ioy s LEU 89 Cb -0.13 -1.48 0.08 0.00 0.50 0.00 0.00 46.19 45.15 3ioy s LEU 89 CO -0.08 0.02 0.10 0.00 -1.32 0.00 0.00 176.35 175.08 3ioy s ASN 91 N 1.52 6.45 0.00 0.00 0.01 -0.13 -1.29 114.94 121.50 3ioy s ASN 91 Ca 0.02 -1.47 0.01 0.00 -0.71 0.00 0.00 52.86 50.70 3ioy s ASN 91 Cb -0.21 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3ioy s ASN 91 CO -0.02 -1.38 0.38 -3.20 -1.51 0.00 0.00 177.10 171.38 3ioy n ASN 92 N 7.89 0.77 -4.76 -1.22 2.85 -1.22 -1.26 115.26 118.31 3ioy n ASN 92 Ca 0.20 -0.88 -0.39 0.00 -0.11 0.00 0.00 54.58 53.40 3ioy n ASN 92 Cb 0.49 0.28 0.02 0.00 1.24 0.00 0.00 39.78 41.81 3ioy n ASN 92 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ioy s ALA 93 N -0.34 3.02 -0.15 5.20 0.00 -1.21 -4.60 121.76 123.69 3ioy s ALA 93 Ca 0.01 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 3ioy s ALA 93 Cb 0.01 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.73 3ioy s ALA 93 CO 0.01 -1.06 0.93 0.20 0.00 0.00 0.00 175.76 175.85 3ioy s GLY 94 N -0.92 -0.32 0.12 0.00 0.00 -1.26 -4.67 107.32 100.26 3ioy s GLY 94 Ca 0.65 1.92 0.06 0.00 0.00 0.00 0.00 44.72 47.34 3ioy s GLY 94 CO 0.46 1.06 -0.13 -1.34 0.00 0.00 0.00 173.10 173.15 3ioy s VAL 95 N -1.05 1.30 0.34 1.40 -7.23 -1.26 -5.03 120.40 108.87 3ioy s VAL 95 Ca -0.03 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.46 3ioy s VAL 95 Cb -0.01 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 3ioy s VAL 95 CO 0.03 -0.45 -0.03 0.21 -0.31 0.00 0.00 175.10 174.55 3ioy s ASN 96 N -2.52 3.21 -0.27 4.85 3.84 -1.26 -4.92 114.94 117.88 3ioy s ASN 96 Ca 0.09 -1.27 -0.04 0.00 0.21 0.00 0.00 52.86 51.85 3ioy s ASN 96 Cb -0.04 -0.26 0.14 0.00 -0.55 0.00 0.00 41.25 40.55 3ioy s ASN 96 CO 0.03 -0.38 0.52 -0.22 -2.79 0.00 0.00 177.10 174.25 3ioy s LEU 97 N -3.56 -1.01 -1.12 3.21 2.96 -1.26 -5.10 118.68 112.80 3ioy s LEU 97 Ca 0.33 0.87 -0.16 0.00 -0.22 0.00 0.00 54.13 54.94 3ioy s LEU 97 Cb 0.06 1.77 0.14 0.00 0.50 0.00 0.00 46.19 48.66 3ioy s LEU 97 CO 0.15 -0.26 1.37 0.12 -1.32 0.00 0.00 176.35 176.41 3ioy s PHE 98 N 2.74 3.28 -0.09 5.38 5.36 -1.26 -4.63 117.98 128.76 3ioy s PHE 98 Ca 0.09 -1.82 -0.16 0.00 -0.96 0.00 0.00 56.93 54.09 3ioy s PHE 98 Cb -0.14 -4.36 0.04 0.00 -0.34 0.00 0.00 43.02 38.22 3ioy s PHE 98 CO -0.18 -1.48 0.39 -0.65 -1.46 0.00 0.00 175.22 171.84 3ioy s GLN 99 N 2.28 0.59 0.70 10.12 -0.21 -1.26 -4.99 119.66 126.90 3ioy s GLN 99 Ca 0.41 0.25 -0.11 0.00 0.02 0.00 0.00 55.36 55.92 3ioy s GLN 99 Cb -0.03 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.27 3ioy s GLN 99 CO -0.03 -0.12 1.07 -1.25 -2.12 0.00 0.00 175.29 172.84 3ioy s PRO 100 N -0.48 2.85 0.17 2.91 0.04 -1.26 -2.03 135.00 137.20 3ioy s PRO 100 Ca -0.06 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 3ioy s PRO 100 Cb -0.04 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.60 3ioy s PRO 100 CO 0.03 -1.17 1.81 0.82 0.04 0.00 0.00 177.00 178.53 3ioy h ILE 101 N -0.68 1.07 0.00 0.56 2.04 -1.92 -2.75 117.51 115.82 3ioy h ILE 101 Ca -0.44 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3ioy h ILE 101 Cb 1.21 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3ioy h ILE 101 CO 0.56 0.11 0.00 1.05 0.00 0.00 0.00 178.15 179.87 3ioy h GLU 102 N 0.59 0.00 -0.50 2.37 9.09 -1.95 0.17 114.58 124.35 3ioy h GLU 102 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 3ioy h GLU 102 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 3ioy h GLU 102 CO -0.07 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.38 3ioy n GLU 103 N -2.95 2.22 -4.44 1.06 1.02 -1.04 -4.96 120.64 111.56 3ioy n GLU 103 Ca -0.02 -1.90 -0.34 0.00 -0.02 0.00 0.00 57.16 54.89 3ioy n GLU 103 Cb 0.14 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 3ioy n GLU 103 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3ioy s SER 104 N -1.07 5.00 0.57 1.62 0.01 0.59 -4.95 113.70 115.48 3ioy s SER 104 Ca 0.36 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.66 3ioy s SER 104 Cb 0.19 -1.33 0.03 0.00 0.21 0.00 0.00 66.02 65.12 3ioy s SER 104 CO 0.25 0.35 0.81 -0.94 0.41 0.00 0.00 173.24 174.12 3ioy s SER 105 N -1.03 5.26 0.33 2.44 1.04 -1.26 -4.95 113.70 115.54 3ioy s SER 105 Ca 0.14 0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.73 3ioy s SER 105 Cb -0.11 -1.00 0.67 0.00 0.10 0.00 0.00 66.02 65.68 3ioy s SER 105 CO 0.04 -1.18 1.92 1.88 0.98 0.00 0.00 173.24 176.88 3ioy h TYR 106 N -0.02 0.90 -1.00 5.02 0.05 -1.99 -1.83 116.97 118.10 3ioy h TYR 106 Ca -0.43 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.42 3ioy h TYR 106 Cb 1.29 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 38.68 3ioy h TYR 106 CO 0.37 0.44 0.65 -0.44 -1.05 0.00 0.00 178.16 178.14 3ioy h ASP 107 N 0.86 1.08 -0.34 3.88 3.32 -1.99 0.51 116.42 123.74 3ioy h ASP 107 Ca 0.38 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3ioy h ASP 107 Cb 0.34 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3ioy h ASP 107 CO -0.15 0.73 0.17 0.44 -1.72 0.00 0.00 179.24 178.70 3ioy h ASP 108 N 1.24 0.44 -0.27 6.45 3.32 -1.73 -1.40 116.42 124.48 3ioy h ASP 108 Ca 0.41 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.36 3ioy h ASP 108 Cb 0.04 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3ioy h ASP 108 CO -0.14 0.44 0.12 -0.50 -1.72 0.00 0.00 179.24 177.44 3ioy h TRP 109 N 0.41 0.21 -0.62 4.55 4.06 -0.89 -2.32 115.95 121.35 3ioy h TRP 109 Ca 0.12 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.04 3ioy h TRP 109 Cb 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 3ioy h TRP 109 CO -0.02 0.11 0.25 -0.44 -3.56 0.00 0.00 178.44 174.78 3ioy h ASP 110 N 0.25 0.86 0.27 -3.49 3.32 -0.71 0.47 116.42 117.40 3ioy h ASP 110 Ca 0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3ioy h ASP 110 Cb 0.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3ioy h ASP 110 CO -0.09 0.80 -0.15 -0.25 -1.72 0.00 0.00 179.24 177.82 3ioy h TRP 111 N 0.87 -0.39 -0.09 4.55 7.01 -1.20 -1.25 115.95 125.45 3ioy h TRP 111 Ca 0.21 -0.01 -0.23 0.00 2.11 0.00 0.00 58.89 60.97 3ioy h TRP 111 Cb 0.20 0.13 0.01 0.00 -2.10 0.00 0.00 29.16 27.41 3ioy h TRP 111 CO 0.01 -0.24 -0.87 -0.07 -2.79 0.00 0.00 178.44 174.48 3ioy h LEU 112 N -0.40 0.85 -0.96 0.65 4.07 -1.28 -2.52 115.31 115.72 3ioy h LEU 112 Ca -0.03 -0.60 0.01 0.00 0.08 0.00 0.00 57.88 57.33 3ioy h LEU 112 Cb 0.32 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 3ioy h LEU 112 CO 0.04 1.40 0.64 -0.07 -1.08 0.00 0.00 178.44 179.37 3ioy h LEU 113 N 0.44 1.10 0.39 1.67 3.38 -0.98 0.34 115.31 121.65 3ioy h LEU 113 Ca -0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ioy h LEU 113 Cb 1.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3ioy h LEU 113 CO 0.17 0.80 -0.39 1.23 0.09 0.00 0.00 178.44 180.34 3ioy h GLY 114 N 1.30 -0.93 0.50 0.83 0.00 -1.03 0.16 103.07 103.91 3ioy h GLY 114 Ca 0.35 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 48.12 3ioy h GLY 114 CO -0.08 -0.32 -0.10 -2.08 0.00 0.00 0.00 176.54 173.97 3ioy h VAL 115 N -0.80 0.83 0.04 4.60 2.07 -1.41 -2.07 116.25 119.51 3ioy h VAL 115 Ca -0.03 -0.90 -0.23 0.00 0.82 0.00 0.00 66.70 66.35 3ioy h VAL 115 Cb 0.72 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3ioy h VAL 115 CO -0.06 0.18 -1.11 0.78 0.02 0.00 0.00 177.57 177.38 3ioy h ASN 116 N -0.78 0.14 0.00 0.57 4.21 -0.96 -3.01 115.58 115.75 3ioy h ASN 116 Ca -0.03 -0.16 -0.13 0.00 1.21 0.00 0.00 56.30 57.19 3ioy h ASN 116 Cb 0.51 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 3ioy h ASN 116 CO 0.05 1.12 -1.26 -0.11 -1.29 0.00 0.00 177.43 175.94 3ioy n LEU 117 N -3.40 1.53 -0.03 1.61 7.94 -0.56 -4.38 117.00 119.72 3ioy n LEU 117 Ca -0.04 0.25 0.01 0.00 -1.11 0.00 0.00 56.01 55.13 3ioy n LEU 117 Cb 0.97 -0.59 0.33 0.00 0.53 0.00 0.00 43.42 44.67 3ioy n LEU 117 CO 0.49 -0.08 1.05 0.45 -1.11 0.00 0.00 177.39 178.19 3ioy h HIS 118 N -0.68 0.59 -0.87 1.96 3.86 -0.72 0.00 115.15 119.30 3ioy h HIS 118 Ca -0.20 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.16 3ioy h HIS 118 Cb 0.99 -0.19 -0.11 0.00 1.06 0.00 0.00 27.41 29.17 3ioy h HIS 118 CO -0.19 0.47 0.42 0.78 0.86 0.00 0.00 177.93 180.27 3ioy h GLY 119 N 0.76 1.44 0.76 2.45 0.00 -1.23 0.45 103.07 107.69 3ioy h GLY 119 Ca 0.14 -0.22 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 3ioy h GLY 119 CO -0.01 -0.12 -0.97 -2.08 0.00 0.00 0.00 176.54 173.35 3ioy h VAL 120 N 0.54 1.43 -0.69 4.60 2.07 -1.40 -1.30 116.25 121.50 3ioy h VAL 120 Ca 0.50 -2.55 0.08 0.00 0.82 0.00 0.00 66.70 65.55 3ioy h VAL 120 Cb 0.81 3.13 -0.07 0.00 -1.52 0.00 0.00 31.29 33.64 3ioy h VAL 120 CO -0.42 0.73 0.36 0.58 0.02 0.00 0.00 177.57 178.84 3ioy h VAL 121 N -0.29 0.89 -0.25 2.57 2.07 -0.76 0.01 116.25 120.49 3ioy h VAL 121 Ca -0.18 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 3ioy h VAL 121 Cb 1.73 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3ioy h VAL 121 CO 0.16 0.11 -0.48 0.78 0.02 0.00 0.00 177.57 178.16 3ioy h ASN 122 N 0.63 0.85 -0.02 0.57 2.35 -0.10 0.18 115.58 120.04 3ioy h ASN 122 Ca 0.33 -0.54 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3ioy h ASN 122 Cb 0.31 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3ioy h ASN 122 CO -0.24 1.23 0.01 1.23 -1.65 0.00 0.00 177.43 178.01 3ioy h GLY 123 N 0.50 0.03 0.87 2.83 0.00 -0.89 0.75 103.07 107.16 3ioy h GLY 123 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ioy h GLY 123 CO 0.11 0.01 0.06 -2.08 0.00 0.00 0.00 176.54 174.64 3ioy h VAL 124 N -0.04 1.20 -0.59 4.60 2.07 -0.96 -1.30 116.25 121.24 3ioy h VAL 124 Ca 0.01 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3ioy h VAL 124 Cb 0.06 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3ioy h VAL 124 CO -0.00 0.21 0.11 0.74 0.02 0.00 0.00 177.57 178.65 3ioy h THR 125 N 0.20 1.24 -0.05 2.57 2.02 -0.94 0.62 112.91 118.58 3ioy h THR 125 Ca 0.07 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 3ioy h THR 125 Cb 0.26 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3ioy h THR 125 CO -0.00 0.34 -0.01 0.74 0.37 0.00 0.00 175.52 176.96 3ioy h THR 126 N 0.89 1.30 0.05 3.16 2.02 -0.75 -3.39 112.91 116.18 3ioy h THR 126 Ca 0.19 -0.92 -0.38 0.00 0.77 0.00 0.00 66.41 66.07 3ioy h THR 126 Cb 0.36 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3ioy h THR 126 CO 0.00 0.25 -2.28 0.49 0.37 0.00 0.00 175.52 174.36 3ioy n PHE 127 N -4.84 0.49 -0.23 3.16 3.01 -0.50 -4.39 117.46 114.16 3ioy n PHE 127 Ca -0.07 0.11 -0.06 0.00 1.01 0.00 0.00 57.45 58.43 3ioy n PHE 127 Cb 0.22 -1.06 0.04 0.00 -0.01 0.00 0.00 39.48 38.67 3ioy n PHE 127 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3ioy h VAL 128 N -0.05 1.21 -0.02 -4.37 2.07 -1.05 -1.17 116.25 112.88 3ioy h VAL 128 Ca -0.52 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3ioy h VAL 128 Cb 1.92 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3ioy h VAL 128 CO -0.04 0.24 -0.05 -0.65 0.02 0.00 0.00 177.57 177.09 3ioy h PRO 129 N 0.89 0.03 -0.35 1.57 0.11 -1.76 -0.56 132.00 131.94 3ioy h PRO 129 Ca 0.23 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.24 3ioy h PRO 129 Cb 0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3ioy h PRO 129 CO -0.03 0.08 -0.16 0.00 -0.21 0.00 0.00 178.00 177.68 3ioy h ARG 130 N 0.03 0.72 -0.80 1.05 3.08 -1.51 -2.03 114.38 114.92 3ioy h ARG 130 Ca 0.01 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 3ioy h ARG 130 Cb 0.11 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3ioy h ARG 130 CO 0.01 0.91 0.32 0.52 -1.07 0.00 0.00 179.97 180.66 3ioy h MET 131 N 0.50 1.19 -0.07 0.04 2.86 -0.60 -2.08 114.93 116.78 3ioy h MET 131 Ca 0.08 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3ioy h MET 131 Cb 0.69 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3ioy h MET 131 CO 0.05 0.96 -0.03 0.28 1.06 0.00 0.00 176.91 179.23 3ioy h VAL 132 N 1.16 1.31 -0.66 -2.22 2.07 -0.95 0.19 116.25 117.15 3ioy h VAL 132 Ca 0.27 -1.01 0.12 0.00 0.82 0.00 0.00 66.70 66.90 3ioy h VAL 132 Cb 0.21 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.73 3ioy h VAL 132 CO -0.02 0.28 0.23 -0.33 0.02 0.00 0.00 177.57 177.74 3ioy h GLU 133 N -0.21 0.37 -0.63 1.57 5.08 -1.39 0.94 114.58 120.30 3ioy h GLU 133 Ca 0.02 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3ioy h GLU 133 Cb 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3ioy h GLU 133 CO 0.01 0.24 0.06 0.00 -1.00 0.00 0.00 179.01 178.32 3ioy h ARG 134 N 0.38 1.08 -0.24 2.33 3.08 -1.18 -1.50 114.38 118.32 3ioy h ARG 134 Ca 0.35 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3ioy h ARG 134 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3ioy h ARG 134 CO -0.37 1.02 0.12 0.28 -1.07 0.00 0.00 179.97 179.95 3ioy h VAL 135 N 0.99 1.13 -0.60 2.04 2.07 -0.57 0.22 116.25 121.53 3ioy h VAL 135 Ca 0.19 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3ioy h VAL 135 Cb 0.50 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3ioy h VAL 135 CO 0.02 0.13 0.40 0.11 0.02 0.00 0.00 177.57 178.25 3ioy h LYS 136 N 0.27 0.55 -0.00 1.57 1.57 -0.68 -1.03 116.57 118.82 3ioy h LYS 136 Ca 0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3ioy h LYS 136 Cb 0.09 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3ioy h LYS 136 CO -0.01 0.37 -0.04 0.00 -0.57 0.00 0.00 179.45 179.20 3ioy n ALA 137 N -2.48 2.68 -1.42 3.86 0.00 -0.58 -4.91 120.51 117.66 3ioy n ALA 137 Ca 0.09 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 3ioy n ALA 137 Cb 0.25 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 3ioy n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ioy n GLY 138 N 1.15 1.47 0.10 0.00 0.00 -0.39 -4.90 105.19 102.62 3ioy n GLY 138 Ca 0.19 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.97 3ioy n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ioy n GLU 139 N -2.59 0.54 -4.69 1.61 1.02 0.02 -4.88 120.64 111.67 3ioy n GLU 139 Ca -0.14 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 56.87 3ioy n GLU 139 Cb 0.47 -1.79 -0.15 0.00 -0.02 0.00 0.00 31.44 29.95 3ioy n GLU 139 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3ioy s GLN 140 N -3.33 1.30 -0.17 3.49 0.74 -0.90 -4.95 119.66 115.85 3ioy s GLN 140 Ca 0.01 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 54.91 3ioy s GLN 140 Cb 0.10 -1.22 0.02 0.00 1.10 0.00 0.00 33.01 33.02 3ioy s GLN 140 CO 0.78 0.28 -0.17 0.21 -0.55 0.00 0.00 175.29 175.84 3ioy s LYS 141 N -0.19 2.59 0.14 1.67 2.47 -1.26 -4.27 119.74 120.90 3ioy s LYS 141 Ca 0.02 -0.71 0.00 0.00 -1.56 0.00 0.00 55.97 53.73 3ioy s LYS 141 Cb -0.07 -2.34 0.00 0.00 -1.46 0.00 0.00 37.83 33.96 3ioy s LYS 141 CO 0.00 -0.24 0.00 0.41 0.16 0.00 0.00 175.35 175.68 3ioy n GLY 142 N 4.70 -2.03 0.00 5.54 0.00 -1.26 -5.11 105.19 107.02 3ioy n GLY 142 Ca -0.19 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3ioy n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ioy n GLY 143 N -2.86 1.64 3.30 -0.02 0.00 -1.24 -4.91 105.19 101.10 3ioy n GLY 143 Ca -0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 3ioy n GLY 143 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ioy s HIS 144 N -2.00 -0.35 -0.12 1.61 2.46 0.62 -1.08 115.29 116.43 3ioy s HIS 144 Ca 0.00 0.74 0.02 0.00 0.47 0.00 0.00 55.06 56.29 3ioy s HIS 144 Cb 0.00 0.15 0.01 0.00 -0.13 0.00 0.00 32.58 32.62 3ioy s HIS 144 CO 0.00 -0.33 -0.17 0.08 -2.47 0.00 0.00 174.74 171.85 3ioy s VAL 145 N -0.59 1.63 -0.19 0.89 1.01 -0.19 -0.80 120.40 122.16 3ioy s VAL 145 Ca -0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3ioy s VAL 145 Cb -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3ioy s VAL 145 CO 0.03 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.79 3ioy s VAL 146 N 0.94 2.78 -0.18 2.92 1.01 0.51 -1.02 120.40 127.37 3ioy s VAL 146 Ca -0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 3ioy s VAL 146 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3ioy s VAL 146 CO -0.02 0.48 0.01 0.20 0.00 0.00 0.00 175.10 175.77 3ioy s ASN 147 N 1.23 5.09 -0.43 3.32 0.01 -0.07 -0.95 114.94 123.14 3ioy s ASN 147 Ca 0.03 -0.08 -0.27 0.00 -0.71 0.00 0.00 52.86 51.83 3ioy s ASN 147 Cb -0.14 -1.85 0.02 0.00 0.41 0.00 0.00 41.25 39.69 3ioy s ASN 147 CO -0.06 0.15 0.99 -0.89 -1.51 0.00 0.00 177.10 175.78 3ioy s THR 148 N 0.52 4.44 0.00 1.60 2.01 -0.39 -0.83 115.64 122.98 3ioy s THR 148 Ca -0.01 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.03 3ioy s THR 148 Cb -0.14 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 67.92 3ioy s THR 148 CO 0.02 -0.78 0.00 0.00 -0.69 0.00 0.00 174.62 173.17 3ioy n ALA 149 N 7.22 0.00 -3.60 7.40 0.00 0.01 -4.90 120.51 126.63 3ioy n ALA 149 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 3ioy n ALA 149 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 3ioy n ALA 149 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ioy s SER 150 N -0.98 -0.12 0.53 0.00 0.15 -1.24 -4.65 113.70 107.39 3ioy s SER 150 Ca 0.00 -0.03 0.30 0.00 0.70 0.00 0.00 55.95 56.91 3ioy s SER 150 Cb 0.00 0.15 1.61 0.00 -1.71 0.00 0.00 66.02 66.07 3ioy s SER 150 CO 0.00 -0.25 1.89 0.24 1.20 0.00 0.00 173.24 176.32 3ioy h MET 151 N 2.00 0.00 0.00 5.44 2.86 -1.51 -0.88 114.93 122.84 3ioy h MET 151 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3ioy h MET 151 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3ioy h MET 151 CO 0.24 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.21 3ioy n ALA 152 N -1.86 1.54 1.13 6.32 0.00 -1.26 -0.87 120.51 125.50 3ioy n ALA 152 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3ioy n ALA 152 Cb 0.19 -1.17 0.62 0.00 0.00 0.00 0.00 19.45 19.09 3ioy n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ioy n ALA 153 N -1.44 2.25 0.00 0.00 0.00 -0.34 -4.06 120.51 116.93 3ioy n ALA 153 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ioy n ALA 153 Cb 0.11 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3ioy n ALA 153 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ioy n PHE 154 N -1.33 0.00 -3.75 0.00 3.72 -0.16 -4.63 117.46 111.31 3ioy n PHE 154 Ca 0.11 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.14 3ioy n PHE 154 Cb 0.22 0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.69 3ioy n PHE 154 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ioy s LEU 155 N -4.74 5.30 -0.37 4.37 1.43 -0.05 -5.05 118.68 119.57 3ioy s LEU 155 Ca 0.00 -2.17 -0.03 0.00 -1.03 0.00 0.00 54.13 50.90 3ioy s LEU 155 Cb 0.00 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.45 3ioy s LEU 155 CO 0.00 -0.53 0.14 0.00 0.23 0.00 0.00 176.35 176.19 3ioy s ALA 156 N 0.95 3.05 0.59 4.21 0.00 -1.26 -4.30 121.76 125.00 3ioy s ALA 156 Ca 0.10 -2.21 -0.01 0.00 0.00 0.00 0.00 51.96 49.83 3ioy s ALA 156 Cb -0.23 -2.28 0.06 0.00 0.00 0.00 0.00 23.12 20.68 3ioy s ALA 156 CO -0.04 -1.59 0.42 0.00 0.00 0.00 0.00 175.76 174.55 3ioy n ALA 157 N 4.64 -0.02 -0.32 0.00 0.00 -1.26 -5.00 120.51 118.55 3ioy n ALA 157 Ca -0.07 -0.78 0.02 0.00 0.00 0.00 0.00 53.44 52.61 3ioy n ALA 157 Cb 0.42 0.11 0.16 0.00 0.00 0.00 0.00 19.45 20.14 3ioy n ALA 157 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ioy h GLY 158 N -0.31 1.36 -4.43 0.00 0.00 -1.99 -3.43 103.07 94.28 3ioy h GLY 158 Ca -0.14 -0.39 -0.64 0.00 0.00 0.00 0.00 47.33 46.16 3ioy h GLY 158 CO 0.14 0.25 -0.86 -0.56 0.00 0.00 0.00 176.54 175.51 3ioy s SER 159 N -5.76 2.81 -0.40 0.19 0.01 -1.26 -3.19 113.70 106.10 3ioy s SER 159 Ca -0.12 -0.55 -0.23 0.00 1.31 0.00 0.00 55.95 56.36 3ioy s SER 159 Cb 0.19 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.19 3ioy s SER 159 CO 0.79 0.22 0.77 -2.16 0.41 0.00 0.00 173.24 173.27 3ioy s PRO 160 N -1.15 3.60 0.10 12.44 0.04 -1.26 -4.98 135.00 143.78 3ioy s PRO 160 Ca 0.10 0.10 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 3ioy s PRO 160 Cb -0.09 -3.86 -0.06 0.00 0.04 0.00 0.00 34.50 30.52 3ioy s PRO 160 CO 0.02 -0.95 1.62 0.78 0.04 0.00 0.00 177.00 178.51 3ioy h GLY 161 N 9.86 0.45 0.79 0.56 0.00 -1.37 0.04 103.07 113.40 3ioy h GLY 161 Ca -0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3ioy h GLY 161 CO 0.92 0.25 -0.01 -2.22 0.00 0.00 0.00 176.54 175.48 3ioy h ILE 162 N 0.28 1.26 -0.51 2.60 2.04 -1.89 -1.19 117.51 120.10 3ioy h ILE 162 Ca 0.09 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.15 3ioy h ILE 162 Cb 0.23 1.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 3ioy h ILE 162 CO -0.00 0.26 0.04 0.22 0.00 0.00 0.00 178.15 178.67 3ioy h TYR 163 N 0.03 0.05 -0.82 1.37 3.20 -1.82 -0.49 116.97 118.49 3ioy h TYR 163 Ca 0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3ioy h TYR 163 Cb 0.41 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3ioy h TYR 163 CO 0.04 -0.08 0.40 -0.91 -1.64 0.00 0.00 178.16 175.97 3ioy h ASN 164 N 0.16 1.07 -0.19 -2.11 2.35 -0.90 -1.24 115.58 114.72 3ioy h ASN 164 Ca 0.26 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3ioy h ASN 164 Cb 0.38 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3ioy h ASN 164 CO -0.39 0.90 0.04 0.74 -1.65 0.00 0.00 177.43 177.07 3ioy h THR 165 N 1.17 0.92 -0.39 2.81 2.02 -0.40 -0.78 112.91 118.25 3ioy h THR 165 Ca 0.28 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 3ioy h THR 165 Cb 0.11 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3ioy h THR 165 CO -0.04 0.02 0.04 0.71 0.37 0.00 0.00 175.52 176.63 3ioy h THR 166 N 0.12 1.20 0.00 3.16 1.35 -0.63 -2.10 112.91 116.00 3ioy h THR 166 Ca 0.09 -0.76 -0.27 0.00 -0.55 0.00 0.00 66.41 64.92 3ioy h THR 166 Cb 0.08 0.86 0.02 0.00 -1.73 0.00 0.00 68.15 67.38 3ioy h THR 166 CO -0.11 0.27 -1.05 0.11 -0.25 0.00 0.00 175.52 174.48 3ioy h LYS 167 N 0.57 0.70 -0.65 4.72 1.79 -0.75 -1.11 116.57 121.85 3ioy h LYS 167 Ca 0.13 -0.76 0.11 0.00 -2.18 0.00 0.00 60.65 57.94 3ioy h LYS 167 Cb 0.30 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 31.09 3ioy h LYS 167 CO 0.01 1.33 0.23 0.74 -1.08 0.00 0.00 179.45 180.68 3ioy h PHE 168 N 0.39 0.40 -0.39 -1.35 -1.00 -1.14 -0.58 116.94 113.27 3ioy h PHE 168 Ca -0.13 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 3ioy h PHE 168 Cb 1.71 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 41.17 3ioy h PHE 168 CO 0.10 0.07 0.16 0.00 -1.61 0.00 0.00 178.31 177.03 3ioy h ALA 169 N 1.47 0.50 -0.59 2.45 0.00 -1.14 -0.47 119.26 121.48 3ioy h ALA 169 Ca 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ioy h ALA 169 Cb 0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ioy h ALA 169 CO -0.35 0.10 0.23 0.28 0.00 0.00 0.00 179.25 179.51 3ioy h VAL 170 N 0.48 1.21 -0.45 0.00 2.07 -0.93 -0.64 116.25 118.00 3ioy h VAL 170 Ca 0.13 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 3ioy h VAL 170 Cb 0.17 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3ioy h VAL 170 CO -0.01 0.27 0.07 -0.09 0.02 0.00 0.00 177.57 177.83 3ioy h ARG 171 N 0.85 0.75 -0.39 1.57 2.43 -0.65 0.91 114.38 119.84 3ioy h ARG 171 Ca 0.20 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3ioy h ARG 171 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3ioy h ARG 171 CO -0.02 0.77 0.13 0.78 -1.51 0.00 0.00 179.97 180.12 3ioy h GLY 172 N 0.61 0.65 0.38 2.80 0.00 -0.56 -0.57 103.07 106.38 3ioy h GLY 172 Ca 0.14 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.13 3ioy h GLY 172 CO 0.01 0.36 -0.17 -2.00 0.00 0.00 0.00 176.54 174.74 3ioy h LEU 173 N 0.49 -0.53 -0.71 3.11 6.46 -1.07 -2.02 115.31 121.03 3ioy h LEU 173 Ca 0.13 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 3ioy h LEU 173 Cb 0.24 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 3ioy h LEU 173 CO -0.01 -0.21 0.39 0.28 -0.62 0.00 0.00 178.44 178.27 3ioy h SER 174 N -0.19 0.90 -0.28 1.25 0.02 -0.45 -0.86 113.55 113.94 3ioy h SER 174 Ca 0.11 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3ioy h SER 174 Cb 0.35 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3ioy h SER 174 CO -0.28 0.74 0.10 -0.33 -1.14 0.00 0.00 176.83 175.92 3ioy h GLU 175 N 0.98 0.42 -0.07 3.45 5.08 -1.10 -0.05 114.58 123.29 3ioy h GLU 175 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3ioy h GLU 175 Cb 0.05 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ioy h GLU 175 CO -0.04 0.45 0.04 0.77 -1.00 0.00 0.00 179.01 179.23 3ioy h SER 176 N 0.29 0.08 -0.66 1.42 0.02 -1.16 -2.70 113.55 110.84 3ioy h SER 176 Ca 0.09 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3ioy h SER 176 Cb 0.20 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3ioy h SER 176 CO -0.01 0.08 0.21 0.25 -1.14 0.00 0.00 176.83 176.23 3ioy h LEU 177 N 0.07 0.98 -0.43 5.07 5.85 -1.02 -1.70 115.31 124.12 3ioy h LEU 177 Ca 0.02 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.65 3ioy h LEU 177 Cb 0.02 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 3ioy h LEU 177 CO -0.00 0.92 -0.12 -0.74 -0.34 0.00 0.00 178.44 178.15 3ioy h HIS 178 N 1.01 -0.27 -0.12 1.25 2.76 -0.79 0.33 115.15 119.32 3ioy h HIS 178 Ca 0.22 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 58.22 3ioy h HIS 178 Cb 0.29 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3ioy h HIS 178 CO 0.02 -0.20 -0.77 1.88 -1.30 0.00 0.00 177.93 177.56 3ioy h TYR 179 N -0.02 0.87 -0.03 5.26 0.05 -1.16 -2.92 116.97 119.01 3ioy h TYR 179 Ca 0.21 -0.39 -0.14 0.00 0.05 0.00 0.00 58.73 58.47 3ioy h TYR 179 Cb 0.34 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3ioy h TYR 179 CO -0.39 1.19 -0.60 0.66 -1.05 0.00 0.00 178.16 177.97 3ioy h SER 180 N 0.44 0.13 0.76 3.88 4.64 -1.11 -3.22 113.55 119.07 3ioy h SER 180 Ca -0.05 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3ioy h SER 180 Cb 1.38 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3ioy h SER 180 CO 0.15 0.70 -0.11 0.18 -0.87 0.00 0.00 176.83 176.89 3ioy n LEU 181 N -3.85 0.15 -0.11 5.97 4.77 0.12 -4.20 117.00 119.85 3ioy n LEU 181 Ca -0.02 0.31 0.17 0.00 -0.03 0.00 0.00 56.01 56.44 3ioy n LEU 181 Cb 0.61 -0.38 0.56 0.00 -2.33 0.00 0.00 43.42 41.88 3ioy n LEU 181 CO 0.43 0.03 1.20 -0.07 -1.33 0.00 0.00 177.39 177.66 3ioy h LEU 182 N 0.07 0.27 -0.19 2.23 3.38 -1.52 -0.28 115.31 119.26 3ioy h LEU 182 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ioy h LEU 182 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ioy h LEU 182 CO 0.00 0.14 0.00 2.29 0.09 0.00 0.00 178.44 180.96 3ioy n LYS 183 N -4.44 0.16 -0.11 1.13 2.85 -1.26 -1.91 118.16 114.57 3ioy n LYS 183 Ca 0.13 0.23 0.08 0.00 -1.05 0.00 0.00 58.31 57.70 3ioy n LYS 183 Cb 0.55 -1.72 0.13 0.00 -0.65 0.00 0.00 35.03 33.34 3ioy n LYS 183 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ioy n TYR 184 N -2.01 0.29 -3.30 5.58 4.01 -0.14 -4.97 117.16 116.63 3ioy n TYR 184 Ca 0.05 -0.23 -0.24 0.00 -0.16 0.00 0.00 57.90 57.32 3ioy n TYR 184 Cb 0.32 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.36 3ioy n TYR 184 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ioy n GLU 185 N 0.89 -4.29 -3.67 -0.72 1.02 -0.80 -4.55 120.64 108.51 3ioy n GLU 185 Ca 0.12 0.65 -0.37 0.00 -0.02 0.00 0.00 57.16 57.55 3ioy n GLU 185 Cb 0.44 -5.45 -0.11 0.00 -0.02 0.00 0.00 31.44 26.30 3ioy n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ioy s ILE 186 N -3.07 5.00 0.56 -3.67 1.01 -1.11 -3.69 121.20 116.23 3ioy s ILE 186 Ca 0.40 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 3ioy s ILE 186 Cb -0.20 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 3ioy s ILE 186 CO 0.49 0.30 1.00 -0.83 0.00 0.00 0.00 174.94 175.90 3ioy s GLY 187 N 1.53 1.90 -0.08 6.18 0.00 -0.24 -4.27 107.32 112.34 3ioy s GLY 187 Ca 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.82 3ioy s GLY 187 CO 0.07 0.34 0.18 0.14 0.00 0.00 0.00 173.10 173.83 3ioy s VAL 188 N -2.85 -0.09 0.03 1.40 1.01 -1.26 -1.02 120.40 117.63 3ioy s VAL 188 Ca 0.57 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.80 3ioy s VAL 188 Cb -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3ioy s VAL 188 CO 0.41 0.08 -0.15 -0.44 0.00 0.00 0.00 175.10 174.99 3ioy s SER 189 N 1.38 1.81 -0.23 3.32 0.01 -0.19 -4.44 113.70 115.36 3ioy s SER 189 Ca -0.07 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.68 3ioy s SER 189 Cb -0.11 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 3ioy s SER 189 CO -0.07 0.07 0.03 0.54 0.41 0.00 0.00 173.24 174.23 3ioy s VAL 190 N -0.77 4.04 -0.24 3.43 0.11 0.62 -0.89 120.40 126.71 3ioy s VAL 190 Ca 0.03 -0.27 -0.22 0.00 -2.93 0.00 0.00 61.98 58.59 3ioy s VAL 190 Cb -0.08 -2.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.90 3ioy s VAL 190 CO 0.01 0.39 0.70 -0.22 -3.33 0.00 0.00 175.10 172.65 3ioy s LEU 191 N 1.35 4.08 -0.64 2.54 2.96 -0.01 -0.64 118.68 128.32 3ioy s LEU 191 Ca 0.05 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 54.86 3ioy s LEU 191 Cb -0.15 -2.98 0.22 0.00 0.50 0.00 0.00 46.19 43.78 3ioy s LEU 191 CO 0.02 -0.40 0.63 0.00 -1.32 0.00 0.00 176.35 175.27 3ioy s PRO 193 N -1.94 3.65 0.00 0.00 0.04 -1.26 -4.06 135.00 131.43 3ioy s PRO 193 Ca 0.34 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3ioy s PRO 193 Cb 0.08 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3ioy s PRO 193 CO -0.08 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.85 3ioy n GLY 194 N -2.58 1.01 3.72 0.56 0.00 -1.26 -1.87 105.19 104.78 3ioy n GLY 194 Ca 0.06 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3ioy n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ioy s LEU 195 N 0.00 4.40 0.11 0.99 1.43 -1.26 -4.94 118.68 119.41 3ioy s LEU 195 Ca 0.00 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 3ioy s LEU 195 Cb 0.00 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3ioy s LEU 195 CO 0.00 -0.27 0.10 -0.69 0.23 0.00 0.00 176.35 175.73 3ioy s VAL 196 N 0.79 4.53 -0.25 -1.59 1.01 -1.26 -0.96 120.40 122.67 3ioy s VAL 196 Ca 0.52 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 3ioy s VAL 196 Cb -0.23 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 3ioy s VAL 196 CO 0.29 0.04 2.17 1.17 0.00 0.00 0.00 175.10 178.77 3ioy n LYS 197 N 0.15 1.69 0.05 2.72 4.81 -0.57 -4.49 118.16 122.52 3ioy n LYS 197 Ca -0.08 0.49 0.13 0.00 -0.87 0.00 0.00 58.31 57.97 3ioy n LYS 197 Cb 0.53 -2.90 0.37 0.00 0.02 0.00 0.00 35.03 33.05 3ioy n LYS 197 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3ioy n HIS 230 N 10.46 0.46 0.84 5.64 -0.00 -1.26 -4.93 115.22 126.43 3ioy n HIS 230 Ca 0.33 0.13 0.11 0.00 -0.00 0.00 0.00 57.72 58.29 3ioy n HIS 230 Cb 0.35 -0.65 0.02 0.00 -0.00 0.00 0.00 29.99 29.71 3ioy n HIS 230 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 3ioy n GLU 231 N -1.91 0.11 -0.07 -1.40 0.28 -1.26 -4.30 120.64 112.08 3ioy n GLU 231 Ca 0.05 -0.01 0.03 0.00 -0.16 0.00 0.00 57.16 57.07 3ioy n GLU 231 Cb 0.40 -1.53 0.07 0.00 1.43 0.00 0.00 31.44 31.81 3ioy n GLU 231 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 3ioy n PHE 232 N -1.66 0.19 -2.15 -1.84 -1.74 -1.26 -5.01 117.46 103.99 3ioy n PHE 232 Ca 0.03 -0.40 -0.34 0.00 -0.56 0.00 0.00 57.45 56.18 3ioy n PHE 232 Cb 0.37 -0.03 0.01 0.00 1.52 0.00 0.00 39.48 41.35 3ioy n PHE 232 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3ioy s GLY 233 N -0.90 2.47 0.34 4.97 0.00 -1.26 -4.94 107.32 108.01 3ioy s GLY 233 Ca 0.11 0.71 -0.28 0.00 0.00 0.00 0.00 44.72 45.26 3ioy s GLY 233 CO 0.08 1.06 1.20 -0.29 0.00 0.00 0.00 173.10 175.15 3ioy s MET 234 N -3.53 4.32 0.22 2.90 1.75 -0.14 -3.50 119.30 121.33 3ioy s MET 234 Ca 0.70 1.97 -0.32 0.00 -1.25 0.00 0.00 55.69 56.79 3ioy s MET 234 Cb -0.22 -2.95 -0.12 0.00 2.84 0.00 0.00 34.83 34.38 3ioy s MET 234 CO 0.30 -0.13 1.64 0.39 -0.65 0.00 0.00 175.02 176.57 3ioy n GLU 235 N 0.63 2.59 0.03 4.11 -0.58 -1.26 -1.51 120.64 124.65 3ioy n GLU 235 Ca 0.01 0.93 0.06 0.00 -0.42 0.00 0.00 57.16 57.74 3ioy n GLU 235 Cb 0.44 -2.73 0.47 0.00 -0.57 0.00 0.00 31.44 29.05 3ioy n GLU 235 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ioy h PRO 236 N 5.90 0.44 -0.70 3.49 0.11 -1.92 -1.59 132.00 137.72 3ioy h PRO 236 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3ioy h PRO 236 Cb 1.22 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3ioy h PRO 236 CO 0.89 0.29 0.18 -0.44 -0.21 0.00 0.00 178.00 178.70 3ioy h ASP 237 N 0.45 1.05 -0.38 -2.05 3.32 -1.91 0.96 116.42 117.86 3ioy h ASP 237 Ca 0.14 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3ioy h ASP 237 Cb 0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3ioy h ASP 237 CO -0.03 1.00 -0.01 0.58 -1.72 0.00 0.00 179.24 179.06 3ioy h VAL 238 N 1.05 1.26 -0.44 -1.35 2.07 -1.81 0.26 116.25 117.29 3ioy h VAL 238 Ca 0.22 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3ioy h VAL 238 Cb 0.36 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3ioy h VAL 238 CO 0.00 0.34 0.24 0.40 0.02 0.00 0.00 177.57 178.57 3ioy h ILE 239 N 0.49 1.00 -0.49 4.57 2.04 -0.97 -1.61 117.51 122.54 3ioy h ILE 239 Ca 0.11 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3ioy h ILE 239 Cb 0.48 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3ioy h ILE 239 CO 0.02 0.09 0.30 1.23 0.00 0.00 0.00 178.15 179.79 3ioy h GLY 240 N 0.48 0.71 0.79 5.37 0.00 -0.62 -0.02 103.07 109.78 3ioy h GLY 240 Ca 0.19 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.26 3ioy h GLY 240 CO -0.11 0.28 0.29 0.00 0.00 0.00 0.00 176.54 177.00 3ioy h ALA 241 N 1.15 0.68 -0.36 3.60 0.00 -0.73 -0.06 119.26 123.55 3ioy h ALA 241 Ca 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3ioy h ALA 241 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ioy h ALA 241 CO -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 179.25 179.07 3ioy h ARG 242 N 0.57 0.62 -0.40 0.00 3.08 -0.97 -2.86 114.38 114.43 3ioy h ARG 242 Ca 0.22 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3ioy h ARG 242 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3ioy h ARG 242 CO -0.13 0.72 0.18 0.28 -1.07 0.00 0.00 179.97 179.95 3ioy h VAL 243 N 0.57 1.18 -0.39 2.04 2.07 -0.36 -1.73 116.25 119.63 3ioy h VAL 243 Ca 0.10 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3ioy h VAL 243 Cb 0.54 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3ioy h VAL 243 CO 0.03 0.19 0.09 0.40 0.02 0.00 0.00 177.57 178.31 3ioy h ILE 244 N 0.50 0.82 -0.67 4.57 2.04 -0.82 0.57 117.51 124.51 3ioy h ILE 244 Ca 0.14 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3ioy h ILE 244 Cb 0.14 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3ioy h ILE 244 CO -0.02 0.04 0.42 -0.08 0.00 0.00 0.00 178.15 178.51 3ioy h GLU 245 N 0.22 0.80 -0.55 2.37 4.22 -1.39 -2.55 114.58 117.71 3ioy h GLU 245 Ca 0.18 -0.05 -0.10 0.00 0.08 0.00 0.00 59.36 59.47 3ioy h GLU 245 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3ioy h GLU 245 CO -0.23 0.53 -0.07 0.00 -2.18 0.00 0.00 179.01 177.06 3ioy h ALA 246 N 1.29 0.84 -0.73 2.92 0.00 -0.76 -2.51 119.26 120.31 3ioy h ALA 246 Ca 0.27 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ioy h ALA 246 Cb 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 3ioy h ALA 246 CO -0.10 0.66 0.38 0.52 0.00 0.00 0.00 179.25 180.70 3ioy h MET 247 N 0.90 0.62 0.00 0.00 2.86 -0.60 -1.00 114.93 117.71 3ioy h MET 247 Ca 0.15 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3ioy h MET 247 Cb 0.62 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3ioy h MET 247 CO 0.04 0.41 -0.17 0.87 1.06 0.00 0.00 176.91 179.12 3ioy h LYS 248 N 0.64 0.00 -0.01 1.72 1.57 -1.06 -1.00 116.57 118.44 3ioy h LYS 248 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3ioy h LYS 248 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3ioy h LYS 248 CO -0.26 0.17 -0.21 0.00 -0.57 0.00 0.00 179.45 178.58 3ioy n ALA 249 N -2.40 2.98 -3.97 3.86 0.00 -0.62 -4.96 120.51 115.40 3ioy n ALA 249 Ca -0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.71 3ioy n ALA 249 Cb 0.26 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 3ioy n ALA 249 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ioy n ASN 250 N -0.40 -1.88 -4.70 0.00 5.15 -0.38 -4.93 115.26 108.11 3ioy n ASN 250 Ca 0.14 -0.94 -0.42 0.00 -0.60 0.00 0.00 54.58 52.76 3ioy n ASN 250 Cb 0.36 -3.29 -0.03 0.00 -0.53 0.00 0.00 39.78 36.29 3ioy n ASN 250 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3ioy s ARG 251 N -6.56 4.43 0.02 1.20 3.52 -0.68 -4.87 118.95 116.02 3ioy s ARG 251 Ca 0.28 1.62 -0.26 0.00 -0.13 0.00 0.00 55.73 57.24 3ioy s ARG 251 Cb -0.15 -3.46 -0.16 0.00 -1.56 0.00 0.00 34.95 29.62 3ioy s ARG 251 CO 0.87 -0.28 1.27 1.25 -0.81 0.00 0.00 175.30 177.61 3ioy h LEU 252 N 7.38 -0.50 -8.93 -0.88 6.46 -1.92 -3.40 115.31 113.52 3ioy h LEU 252 Ca -0.38 -0.09 -0.63 0.00 -0.12 0.00 0.00 57.88 56.66 3ioy h LEU 252 Cb 1.19 0.13 -0.18 0.00 -0.73 0.00 0.00 40.66 41.07 3ioy h LEU 252 CO 0.82 -0.17 -0.57 -1.00 -0.62 0.00 0.00 178.44 176.91 3ioy s HIS 253 N -4.90 3.20 -0.49 1.25 3.76 -1.26 -0.28 115.29 116.58 3ioy s HIS 253 Ca -0.15 -0.05 -0.13 0.00 -0.15 0.00 0.00 55.06 54.59 3ioy s HIS 253 Cb 0.02 -2.18 0.11 0.00 1.11 0.00 0.00 32.58 31.64 3ioy s HIS 253 CO 0.53 -0.05 0.40 0.42 -0.85 0.00 0.00 174.74 175.19 3ioy s ILE 254 N 0.98 4.76 -1.01 0.60 1.01 0.19 -4.96 121.20 122.77 3ioy s ILE 254 Ca 0.05 -1.50 -0.15 0.00 0.00 0.00 0.00 60.65 59.05 3ioy s ILE 254 Cb -0.14 -4.02 0.18 0.00 0.01 0.00 0.00 42.46 38.50 3ioy s ILE 254 CO 0.03 -0.74 1.12 -0.36 0.00 0.00 0.00 174.94 175.00 3ioy s PHE 255 N 1.51 3.54 0.54 3.97 0.08 -1.26 -0.88 117.98 125.48 3ioy s PHE 255 Ca 0.04 -1.91 0.23 0.00 0.12 0.00 0.00 56.93 55.41 3ioy s PHE 255 Cb -0.27 -4.12 1.54 0.00 -0.57 0.00 0.00 43.02 39.60 3ioy s PHE 255 CO 0.02 -1.27 2.19 0.66 -0.10 0.00 0.00 175.22 176.72 3ioy h SER 256 N 7.84 0.00 -3.46 1.36 4.64 -1.95 -3.41 113.55 118.58 3ioy h SER 256 Ca 0.19 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.87 3ioy h SER 256 Cb 0.97 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.84 3ioy h SER 256 CO 1.05 0.02 -0.64 -1.00 -0.87 0.00 0.00 176.83 175.39 3ioy s HIS 257 N -4.77 3.08 -0.12 4.77 3.76 -1.26 -4.98 115.29 115.76 3ioy s HIS 257 Ca -0.05 -0.37 0.28 0.00 -0.15 0.00 0.00 55.06 54.77 3ioy s HIS 257 Cb 0.16 -2.12 1.32 0.00 1.11 0.00 0.00 32.58 33.05 3ioy s HIS 257 CO 0.61 -0.21 1.85 -1.35 -0.85 0.00 0.00 174.74 174.79 3ioy h PRO 258 N 7.53 0.00 -0.91 8.40 0.11 -2.01 -3.38 132.00 141.75 3ioy h PRO 258 Ca -0.36 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.00 3ioy h PRO 258 Cb 1.18 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 3ioy h PRO 258 CO 0.61 0.00 0.20 -0.44 -0.21 0.00 0.00 178.00 178.17 3ioy h ASP 259 N 0.00 -0.11 -0.28 -2.05 5.19 -1.96 -2.86 116.42 114.35 3ioy h ASP 259 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3ioy h ASP 259 Cb 0.26 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3ioy h ASP 259 CO 0.00 -0.23 0.00 1.41 -3.12 0.00 0.00 179.24 177.30 3ioy n HIS 260 N -5.30 0.35 -0.09 4.55 8.25 -1.26 -4.62 115.22 117.11 3ioy n HIS 260 Ca 0.23 -0.18 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 3ioy n HIS 260 Cb 0.75 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.86 3ioy n HIS 260 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3ioy h LYS 261 N 4.41 0.20 -0.46 -0.41 3.64 -1.81 0.91 116.57 123.06 3ioy h LYS 261 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3ioy h LYS 261 Cb 0.96 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3ioy h LYS 261 CO 0.00 0.13 -0.02 0.93 -2.27 0.00 0.00 179.45 178.22 3ioy h GLU 262 N 0.21 0.82 -0.59 1.90 4.39 -1.85 -0.52 114.58 118.94 3ioy h GLU 262 Ca 0.14 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.59 3ioy h GLU 262 Cb 0.14 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3ioy h GLU 262 CO -0.17 0.89 0.36 1.49 -1.16 0.00 0.00 179.01 180.42 3ioy h GLU 263 N 0.67 0.70 -0.50 2.33 4.81 -1.73 -2.12 114.58 118.74 3ioy h GLU 263 Ca 0.13 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 3ioy h GLU 263 Cb 0.54 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3ioy h GLU 263 CO 0.03 0.46 -0.11 1.25 -0.73 0.00 0.00 179.01 179.91 3ioy h LEU 264 N 0.72 0.93 -0.85 1.64 5.85 -0.57 -1.54 115.31 121.50 3ioy h LEU 264 Ca 0.23 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ioy h LEU 264 Cb 0.00 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 3ioy h LEU 264 CO -0.09 1.05 0.52 -0.09 -0.34 0.00 0.00 178.44 179.50 3ioy h ARG 265 N 0.84 0.93 -0.40 1.25 2.43 -0.77 -1.28 114.38 117.36 3ioy h ARG 265 Ca 0.13 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3ioy h ARG 265 Cb 0.65 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3ioy h ARG 265 CO 0.05 0.61 0.09 1.49 -1.51 0.00 0.00 179.97 180.70 3ioy h GLU 266 N 0.96 0.65 -0.27 0.20 4.57 -1.03 -1.67 114.58 117.98 3ioy h GLU 266 Ca 0.37 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3ioy h GLU 266 Cb 0.17 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3ioy h GLU 266 CO -0.17 0.68 0.15 0.28 -1.18 0.00 0.00 179.01 178.77 3ioy h VAL 267 N 0.51 1.02 -0.67 0.32 2.07 -0.87 -1.20 116.25 117.43 3ioy h VAL 267 Ca 0.13 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3ioy h VAL 267 Cb 0.33 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3ioy h VAL 267 CO 0.00 0.06 0.44 -0.26 0.02 0.00 0.00 177.57 177.83 3ioy h PHE 268 N 0.32 0.84 -0.70 1.57 0.04 -1.15 -0.83 116.94 117.03 3ioy h PHE 268 Ca 0.11 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.94 3ioy h PHE 268 Cb 0.00 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 37.82 3ioy h PHE 268 CO -0.08 0.54 0.42 -0.44 -0.60 0.00 0.00 178.31 178.15 3ioy h ASP 269 N 0.91 0.67 -0.70 2.17 3.32 -0.93 -1.41 116.42 120.45 3ioy h ASP 269 Ca 0.24 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 3ioy h ASP 269 Cb -0.09 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3ioy h ASP 269 CO -0.05 0.45 0.22 -0.33 -1.72 0.00 0.00 179.24 177.81 3ioy h GLU 270 N 0.80 1.09 -0.09 3.56 5.08 -0.79 -1.48 114.58 122.75 3ioy h GLU 270 Ca 0.30 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ioy h GLU 270 Cb 0.10 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3ioy h GLU 270 CO -0.14 0.93 0.06 0.82 -1.00 0.00 0.00 179.01 179.68 3ioy h ILE 271 N 1.05 1.02 -0.69 3.13 2.04 -0.75 -2.49 117.51 120.82 3ioy h ILE 271 Ca 0.23 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.09 3ioy h ILE 271 Cb 0.30 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3ioy h ILE 271 CO -0.01 0.02 0.45 0.40 0.00 0.00 0.00 178.15 179.02 3ioy h ILE 272 N 0.12 1.09 0.00 -0.67 1.08 -1.12 -1.89 117.51 116.12 3ioy h ILE 272 Ca 0.03 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3ioy h ILE 272 Cb -0.01 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 3ioy h ILE 272 CO -0.01 0.15 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 3ioy h ALA 273 N 1.60 1.00 0.00 1.87 0.00 -0.90 -2.10 119.26 120.73 3ioy h ALA 273 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ioy h ALA 273 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ioy h ALA 273 CO -0.08 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.56 3ioy n GLU 274 N -2.62 0.21 -1.78 0.00 1.02 -0.71 -4.81 120.64 111.95 3ioy n GLU 274 Ca 0.00 0.19 -0.40 0.00 -0.02 0.00 0.00 57.16 56.93 3ioy n GLU 274 Cb 0.18 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 29.87 3ioy n GLU 274 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ioy s TYR 275 N -3.09 2.43 -0.11 -0.32 2.02 -0.79 -4.98 117.35 112.51 3ioy s TYR 275 Ca 0.11 1.26 0.01 0.00 -0.37 0.00 0.00 57.07 58.07 3ioy s TYR 275 Cb 0.13 -3.93 -0.02 0.00 -0.40 0.00 0.00 41.96 37.75 3ioy s TYR 275 CO 0.58 -2.98 -0.13 -0.65 -1.57 0.00 0.00 175.55 170.79 3ioy s GLN 276 N -2.48 3.19 -1.15 -0.62 -1.52 -1.26 -5.01 119.66 110.81 3ioy s GLN 276 Ca 0.62 -0.68 -0.18 0.00 -1.95 0.00 0.00 55.36 53.16 3ioy s GLN 276 Cb -0.44 -2.58 -0.05 0.00 -0.22 0.00 0.00 33.01 29.72 3ioy s GLN 276 CO 0.56 0.31 2.05 -3.47 -0.25 0.00 0.00 175.29 174.49 3ioy n ASP 277 N 3.23 3.36 -4.80 5.90 2.03 -1.26 -4.93 116.55 120.08 3ioy n ASP 277 Ca -0.18 -2.77 -0.32 0.00 0.52 0.00 0.00 54.79 52.04 3ioy n ASP 277 Cb 0.53 -1.45 0.02 0.00 -0.72 0.00 0.00 41.12 39.50 3ioy n ASP 277 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3ioy s TYR 278 N 4.54 2.95 0.58 -0.67 2.02 -1.26 -5.02 117.35 120.49 3ioy s TYR 278 Ca 0.53 1.50 -0.18 0.00 -0.37 0.00 0.00 57.07 58.55 3ioy s TYR 278 Cb 0.12 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.64 3ioy s TYR 278 CO 0.02 -1.23 1.14 -1.25 -1.57 0.00 0.00 175.55 172.66 3ioy s PRO 279 N -4.27 3.14 -0.10 -1.71 0.04 -1.26 -4.95 135.00 125.89 3ioy s PRO 279 Ca 0.63 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 3ioy s PRO 279 Cb -0.16 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3ioy s PRO 279 CO 0.41 -1.02 2.09 0.15 0.04 0.00 0.00 177.00 178.68 3ioy s LYS 280 N -3.48 3.60 0.70 4.56 1.02 -1.26 -4.99 119.74 119.89 3ioy s LYS 280 Ca 0.72 2.29 -0.07 0.00 0.02 0.00 0.00 55.97 58.93 3ioy s LYS 280 Cb -0.24 -4.27 0.06 0.00 -0.52 0.00 0.00 37.83 32.85 3ioy s LYS 280 CO 0.31 -1.57 1.02 0.16 -0.92 0.00 0.00 175.35 174.35 3ioy s ASP 281 N 6.46 4.90 0.10 2.83 -4.77 -1.26 -4.96 116.67 119.97 3ioy s ASP 281 Ca 0.94 0.53 -0.31 0.00 -3.30 0.00 0.00 52.55 50.41 3ioy s ASP 281 Cb -0.37 -1.21 -0.09 0.00 -1.09 0.00 0.00 42.92 40.15 3ioy s ASP 281 CO 0.38 -1.55 1.73 -2.16 0.70 0.00 0.00 175.17 174.26 3ioy s PRO 282 N -5.25 4.17 0.00 2.11 0.04 -1.26 -2.05 135.00 132.76 3ioy s PRO 282 Ca 0.59 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.09 3ioy s PRO 282 Cb -0.11 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3ioy s PRO 282 CO 0.45 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 177.13 3ioy n GLY 283 N 4.08 0.28 0.26 0.56 0.00 -1.26 -4.98 105.19 104.13 3ioy n GLY 283 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3ioy n GLY 283 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ioy h TYR 284 N 0.00 -0.24 -0.04 1.61 3.20 -1.79 -0.43 116.97 119.28 3ioy h TYR 284 Ca 0.00 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3ioy h TYR 284 Cb 0.00 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3ioy h TYR 284 CO 0.00 -0.27 0.02 -0.44 -1.64 0.00 0.00 178.16 175.83 3ioy h ASP 285 N 0.04 0.05 0.21 -2.11 3.45 -1.94 -0.62 116.42 115.50 3ioy h ASP 285 Ca 0.36 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.74 3ioy h ASP 285 Cb 0.58 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3ioy h ASP 285 CO -0.69 0.10 -0.10 1.56 -1.57 0.00 0.00 179.24 178.54 3ioy h GLN 286 N -0.01 -0.27 -0.71 3.56 4.20 -1.92 -2.35 115.11 117.61 3ioy h GLN 286 Ca 0.01 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.85 3ioy h GLN 286 Cb 0.06 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 3ioy h GLN 286 CO -0.00 -0.13 0.33 -0.09 -0.67 0.00 0.00 178.83 178.26 3ioy h ARG 287 N -0.34 0.53 0.00 1.46 2.43 -1.01 -1.13 114.38 116.31 3ioy h ARG 287 Ca -0.03 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 3ioy h ARG 287 Cb 0.26 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3ioy h ARG 287 CO 0.05 0.35 -0.58 0.28 -1.51 0.00 0.00 179.97 178.56 3ioy h VAL 288 N 0.55 1.34 -0.31 0.20 2.07 -1.09 -1.02 116.25 117.98 3ioy h VAL 288 Ca 0.36 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 3ioy h VAL 288 Cb 0.44 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3ioy h VAL 288 CO -0.30 0.57 0.06 0.00 0.02 0.00 0.00 177.57 177.91 3ioy h ALA 289 N 1.42 0.41 -0.46 1.67 0.00 -0.78 -1.72 119.26 119.80 3ioy h ALA 289 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ioy h ALA 289 Cb 1.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ioy h ALA 289 CO 0.08 0.09 0.22 0.35 0.00 0.00 0.00 179.25 179.99 3ioy h PHE 290 N 0.33 0.65 -0.58 0.00 3.57 -1.05 -2.66 116.94 117.21 3ioy h PHE 290 Ca 0.09 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3ioy h PHE 290 Cb 0.33 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3ioy h PHE 290 CO 0.02 0.53 0.20 0.93 -2.23 0.00 0.00 178.31 177.76 3ioy h GLU 291 N 0.59 0.86 -0.68 1.11 4.39 -1.08 -1.74 114.58 118.03 3ioy h GLU 291 Ca 0.16 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3ioy h GLU 291 Cb 0.12 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3ioy h GLU 291 CO -0.02 0.73 0.43 0.87 -1.16 0.00 0.00 179.01 179.86 3ioy h LYS 292 N 0.84 0.91 0.32 2.33 6.56 -1.22 0.11 116.57 126.42 3ioy h LYS 292 Ca 0.19 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.70 3ioy h LYS 292 Cb 0.22 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 3ioy h LYS 292 CO -0.01 0.62 -0.15 0.35 -2.06 0.00 0.00 179.45 178.19 3ioy h PHE 293 N 0.93 -0.40 -0.05 -1.35 3.04 -0.98 -1.33 116.94 116.80 3ioy h PHE 293 Ca 0.25 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.09 3ioy h PHE 293 Cb -0.07 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 3ioy h PHE 293 CO 0.00 -0.13 -0.40 0.07 -2.02 0.00 0.00 178.31 175.83 3ioy h ARG 294 N -0.62 0.11 -0.62 1.11 0.11 -1.22 -1.95 114.38 111.31 3ioy h ARG 294 Ca -0.04 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3ioy h ARG 294 Cb 0.44 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.49 3ioy h ARG 294 CO 0.07 0.50 0.40 0.00 0.10 0.00 0.00 179.97 181.04 3ioy h ALA 295 N 1.50 1.55 0.16 0.08 0.00 -0.71 -0.42 119.26 121.42 3ioy h ALA 295 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ioy h ALA 295 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ioy h ALA 295 CO 0.06 0.42 -0.08 -0.44 0.00 0.00 0.00 179.25 179.21 3ioy h ASP 296 N 0.84 -0.18 -0.36 0.00 3.32 -0.46 0.29 116.42 119.86 3ioy h ASP 296 Ca 0.23 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.07 3ioy h ASP 296 Cb -0.09 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.42 3ioy h ASP 296 CO -0.05 0.20 -0.39 -1.28 -1.72 0.00 0.00 179.24 176.00 3ioy h SER 297 N -0.60 -1.28 -0.61 6.45 0.87 -1.44 -1.02 113.55 115.92 3ioy h SER 297 Ca -0.02 0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 3ioy h SER 297 Cb 0.45 0.57 -0.05 0.00 -0.44 0.00 0.00 62.40 62.93 3ioy h SER 297 CO 0.04 -0.36 0.35 0.15 -0.53 0.00 0.00 176.83 176.47 3ioy h PHE 298 N -0.32 0.64 -0.73 2.24 3.57 -0.80 -0.76 116.94 120.78 3ioy h PHE 298 Ca 0.14 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3ioy h PHE 298 Cb 0.57 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3ioy h PHE 298 CO -0.57 0.33 0.48 0.00 -2.23 0.00 0.00 178.31 176.32 3ioy h ALA 299 N 1.30 1.62 0.05 2.41 0.00 -0.17 -1.47 119.26 123.00 3ioy h ALA 299 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ioy h ALA 299 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ioy h ALA 299 CO -0.15 0.29 -0.03 1.49 0.00 0.00 0.00 179.25 180.85 3ioy h GLU 300 N 0.84 -0.07 -0.81 0.00 4.57 -0.28 -0.62 114.58 118.21 3ioy h GLU 300 Ca 0.30 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.60 3ioy h GLU 300 Cb 0.13 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.66 3ioy h GLU 300 CO -0.09 0.15 0.43 0.00 -1.18 0.00 0.00 179.01 178.32 3ioy h ALA 301 N 0.66 1.18 -0.34 2.92 0.00 -0.73 -0.72 119.26 122.23 3ioy h ALA 301 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ioy h ALA 301 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ioy h ALA 301 CO 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 179.25 179.18 3ioy h ARG 302 N 0.67 0.64 -0.59 0.00 3.08 -1.19 -0.99 114.38 116.00 3ioy h ARG 302 Ca 0.42 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.24 3ioy h ARG 302 Cb 0.49 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3ioy h ARG 302 CO -0.30 0.80 0.38 -0.09 -1.07 0.00 0.00 179.97 179.69 3ioy h ARG 303 N 0.43 0.76 -0.50 0.04 2.43 -0.76 -1.49 114.38 115.29 3ioy h ARG 303 Ca 0.09 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3ioy h ARG 303 Cb 0.55 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 3ioy h ARG 303 CO 0.03 0.50 0.24 1.96 -1.51 0.00 0.00 179.97 181.19 3ioy h GLN 304 N 0.78 0.45 -0.81 0.20 1.08 -1.08 -2.41 115.11 113.33 3ioy h GLN 304 Ca 0.22 -0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.48 3ioy h GLN 304 Cb -0.07 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.20 3ioy h GLN 304 CO -0.05 0.30 0.53 1.03 -0.95 0.00 0.00 178.83 179.68 3ioy h SER 305 N 0.47 0.70 0.00 1.46 0.87 -0.74 -3.51 113.55 112.80 3ioy h SER 305 Ca 0.22 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3ioy h SER 305 Cb 0.15 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3ioy h SER 305 CO -0.17 0.42 0.00 0.54 -0.53 0.00 0.00 176.83 177.09