#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qaq s GLN 10 N 0.00 3.88 0.39 4.33 -1.52 -1.26 -5.04 119.66 120.43 1qaq s GLN 10 Ca 0.00 -0.08 0.08 0.00 -1.95 0.00 0.00 55.36 53.40 1qaq s GLN 10 Cb 0.00 -3.31 -0.01 0.00 -0.22 0.00 0.00 33.01 29.46 1qaq s GLN 10 CO 0.00 0.52 0.41 0.54 -0.25 0.00 0.00 175.29 176.50 1qaq s ASN 11 N -0.30 5.34 0.05 5.90 2.20 -1.26 -4.59 114.94 122.27 1qaq s ASN 11 Ca 0.13 -0.55 -0.06 0.00 -0.94 0.00 0.00 52.86 51.44 1qaq s ASN 11 Cb -0.12 -0.76 -0.01 0.00 -2.00 0.00 0.00 41.25 38.36 1qaq s ASN 11 CO 0.03 -0.58 0.11 -0.36 -2.94 0.00 0.00 177.10 173.36 1qaq s PHE 12 N -2.37 0.22 -0.35 1.54 0.08 -0.63 -4.91 117.98 111.56 1qaq s PHE 12 Ca 0.47 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1qaq s PHE 12 Cb -0.06 -0.15 0.09 0.00 -0.57 0.00 0.00 43.02 42.34 1qaq s PHE 12 CO 0.29 -0.41 0.07 0.42 -0.10 0.00 0.00 175.22 175.49 1qaq s ILE 13 N -3.09 2.61 -1.61 0.64 1.01 -1.26 -1.55 121.20 117.94 1qaq s ILE 13 Ca -0.01 -2.12 0.14 0.00 0.00 0.00 0.00 60.65 58.66 1qaq s ILE 13 Cb 0.02 -2.81 0.19 0.00 0.01 0.00 0.00 42.46 39.87 1qaq s ILE 13 CO -0.07 -0.53 1.06 0.35 0.00 0.00 0.00 174.94 175.75 1qaq n THR 14 N 4.39 0.29 -2.97 2.92 -2.24 -1.26 -4.76 114.28 110.65 1qaq n THR 14 Ca -0.01 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.70 1qaq n THR 14 Cb 0.42 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1qaq n THR 14 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1qaq s SER 15 N -1.13 6.46 0.27 3.42 0.15 -1.26 -4.92 113.70 116.68 1qaq s SER 15 Ca 0.20 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 1qaq s SER 15 Cb 0.13 -2.38 0.51 0.00 -1.71 0.00 0.00 66.02 62.57 1qaq s SER 15 CO 0.18 -0.82 1.81 0.50 1.20 0.00 0.00 173.24 176.11 1qaq h LYS 16 N 8.76 0.80 -0.94 5.44 3.64 -1.99 0.27 116.57 132.56 1qaq h LYS 16 Ca -0.25 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.24 1qaq h LYS 16 Cb 1.09 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.65 1qaq h LYS 16 CO 0.93 0.53 0.60 1.25 -2.27 0.00 0.00 179.45 180.49 1qaq h HIS 17 N 0.82 0.90 0.05 1.91 2.76 -2.00 0.77 115.15 120.35 1qaq h HIS 17 Ca 0.46 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 58.43 1qaq h HIS 17 Cb 0.52 -0.28 0.02 0.00 1.55 0.00 0.00 27.41 29.22 1qaq h HIS 17 CO -0.04 0.29 -0.91 -0.91 -1.30 0.00 0.00 177.93 175.06 1qaq h ASN 18 N 0.72 0.72 -0.59 3.26 -0.26 -0.97 -2.96 115.58 115.50 1qaq h ASN 18 Ca 0.49 -0.79 0.05 0.00 -0.56 0.00 0.00 56.30 55.49 1qaq h ASN 18 Cb 0.80 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.78 1qaq h ASN 18 CO -0.25 1.43 0.32 0.40 -1.06 0.00 0.00 177.43 178.27 1qaq h ILE 19 N 0.10 0.97 -0.73 2.81 2.04 0.11 -1.41 117.51 121.40 1qaq h ILE 19 Ca -0.13 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1qaq h ILE 19 Cb 1.61 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1qaq h ILE 19 CO 0.18 0.11 0.44 0.44 0.00 0.00 0.00 178.15 179.31 1qaq h ASP 20 N 0.61 0.88 -0.99 1.72 3.32 -0.95 0.24 116.42 121.26 1qaq h ASP 20 Ca 0.26 -0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.33 1qaq h ASP 20 Cb 0.15 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 1qaq h ASP 20 CO -0.16 0.69 0.63 0.11 -1.72 0.00 0.00 179.24 178.79 1qaq h LYS 21 N 1.00 1.07 -0.03 3.56 1.57 -1.11 -1.65 116.57 120.97 1qaq h LYS 21 Ca 0.26 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.78 1qaq h LYS 21 Cb -0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1qaq h LYS 21 CO -0.05 0.71 -0.82 0.82 -0.57 0.00 0.00 179.45 179.53 1qaq h ILE 22 N 1.10 1.42 -0.02 1.86 2.04 -0.49 -3.10 117.51 120.32 1qaq h ILE 22 Ca 0.44 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.90 1qaq h ILE 22 Cb 0.27 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1qaq h ILE 22 CO -0.19 0.70 -0.19 0.24 0.00 0.00 0.00 178.15 178.70 1qaq h MET 23 N 0.20 0.03 -1.00 2.37 2.86 -0.35 -2.61 114.93 116.44 1qaq h MET 23 Ca -0.05 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.81 1qaq h MET 23 Cb 1.43 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.98 1qaq h MET 23 CO 0.14 0.23 0.62 1.15 1.06 0.00 0.00 176.91 180.11 1qaq h THR 24 N 0.03 0.63 0.00 2.22 2.02 -1.24 -1.20 112.91 115.38 1qaq h THR 24 Ca 0.01 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1qaq h THR 24 Cb 0.37 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1qaq h THR 24 CO 0.03 0.11 -0.74 0.78 0.37 0.00 0.00 175.52 176.07 1qaq h ASN 25 N 0.60 0.00 -3.59 4.18 -0.26 -1.60 -3.45 115.58 111.47 1qaq h ASN 25 Ca 0.58 -0.23 -0.65 0.00 -0.56 0.00 0.00 56.30 55.45 1qaq h ASN 25 Cb 1.14 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.25 1qaq h ASN 25 CO -0.36 0.12 0.05 -0.63 -1.06 0.00 0.00 177.43 175.55 1qaq s ILE 26 N -3.19 4.93 -1.19 2.81 1.01 -0.45 -4.99 121.20 120.13 1qaq s ILE 26 Ca 0.05 0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 1qaq s ILE 26 Cb 0.13 -4.07 0.22 0.00 0.01 0.00 0.00 42.46 38.75 1qaq s ILE 26 CO 0.74 -0.37 1.49 0.54 0.00 0.00 0.00 174.94 177.35 1qaq n ARG 27 N 5.97 3.68 -4.42 2.79 5.12 -1.26 -4.92 116.66 123.63 1qaq n ARG 27 Ca -0.03 -4.03 -0.33 0.00 -1.93 0.00 0.00 57.85 51.53 1qaq n ARG 27 Cb 0.48 -2.81 -0.10 0.00 -1.16 0.00 0.00 32.46 28.88 1qaq n ARG 27 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1qaq s LEU 28 N -0.32 3.35 0.52 0.55 1.43 -1.26 -5.12 118.68 117.83 1qaq s LEU 28 Ca 0.37 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1qaq s LEU 28 Cb 0.00 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1qaq s LEU 28 CO 0.00 0.31 0.27 0.54 0.23 0.00 0.00 176.35 177.71 1qaq s ASN 29 N -1.28 4.48 0.62 2.29 2.20 -1.26 -4.87 114.94 117.11 1qaq s ASN 29 Ca 0.17 -1.34 0.36 0.00 -0.94 0.00 0.00 52.86 51.11 1qaq s ASN 29 Cb -0.11 0.36 2.06 0.00 -2.00 0.00 0.00 41.25 41.55 1qaq s ASN 29 CO 0.07 -0.98 2.29 1.05 -2.94 0.00 0.00 177.10 176.58 1qaq h GLU 30 N 0.98 0.00 -0.01 3.55 4.11 -1.84 -3.05 114.58 118.31 1qaq h GLU 30 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1qaq h GLU 30 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1qaq h GLU 30 CO 0.63 0.01 -0.47 0.72 0.07 0.00 0.00 179.01 179.97 1qaq n HIS 31 N -3.47 0.00 -2.87 2.06 8.25 -1.26 -1.22 115.22 116.72 1qaq n HIS 31 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 1qaq n HIS 31 Cb 0.10 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 1qaq n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qaq s ASP 32 N -2.52 7.42 -0.10 0.41 1.01 -1.15 -4.69 116.67 117.06 1qaq s ASP 32 Ca 0.19 1.77 -0.15 0.00 0.71 0.00 0.00 52.55 55.07 1qaq s ASP 32 Cb 0.18 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1qaq s ASP 32 CO 0.58 0.10 0.37 0.20 0.21 0.00 0.00 175.17 176.63 1qaq s ASN 33 N -1.35 6.61 -0.01 0.27 0.02 -1.26 -1.65 114.94 117.58 1qaq s ASN 33 Ca 0.42 0.72 0.08 0.00 -1.02 0.00 0.00 52.86 53.07 1qaq s ASN 33 Cb -0.22 -2.22 -0.02 0.00 0.02 0.00 0.00 41.25 38.81 1qaq s ASN 33 CO 0.27 0.16 -0.25 -0.63 0.02 0.00 0.00 177.10 176.66 1qaq s ILE 34 N -0.04 2.01 -0.23 0.60 -1.09 0.10 -1.34 121.20 121.21 1qaq s ILE 34 Ca 0.21 -1.13 -0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1qaq s ILE 34 Cb -0.15 -1.67 -0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1qaq s ILE 34 CO 0.08 0.53 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.93 1qaq s PHE 35 N -0.63 2.98 -0.12 3.97 0.08 -0.82 -0.13 117.98 123.31 1qaq s PHE 35 Ca 0.10 -0.98 -0.06 0.00 0.12 0.00 0.00 56.93 56.11 1qaq s PHE 35 Cb -0.10 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 1qaq s PHE 35 CO -0.00 -0.56 0.10 -2.00 -0.10 0.00 0.00 175.22 172.66 1qaq s GLU 36 N 1.47 3.38 -0.52 0.44 2.12 -0.96 -2.14 118.70 122.49 1qaq s GLU 36 Ca 0.05 -0.21 -0.16 0.00 0.36 0.00 0.00 54.97 55.01 1qaq s GLU 36 Cb -0.15 -3.11 0.10 0.00 0.26 0.00 0.00 34.13 31.24 1qaq s GLU 36 CO -0.03 0.72 0.50 0.42 -0.54 0.00 0.00 175.26 176.33 1qaq s ILE 37 N -0.88 5.15 0.00 -3.70 1.01 -0.45 -1.42 121.20 120.91 1qaq s ILE 37 Ca 0.14 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1qaq s ILE 37 Cb -0.12 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1qaq s ILE 37 CO 0.03 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.79 1qaq n GLY 38 N 5.23 -1.50 0.29 6.18 0.00 0.15 -4.16 105.19 111.39 1qaq n GLY 38 Ca -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 1qaq n GLY 38 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qaq h SER 39 N 0.00 0.77 0.00 1.61 0.02 -1.84 -3.45 113.55 110.67 1qaq h SER 39 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1qaq h SER 39 Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1qaq h SER 39 CO 0.00 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 1qaq n GLY 40 N -0.70 2.51 0.00 -3.77 0.00 -1.26 -1.16 105.19 100.81 1qaq n GLY 40 Ca 0.03 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1qaq n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qaq n LYS 41 N 13.36 0.27 -0.39 1.61 4.76 -1.26 -4.08 118.16 132.44 1qaq n LYS 41 Ca 0.00 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1qaq n LYS 41 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1qaq n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qaq n GLY 42 N 0.66 0.78 0.15 0.72 0.00 -0.30 -4.19 105.19 103.00 1qaq n GLY 42 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1qaq n GLY 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1qaq h HIS 43 N 0.00 -0.24 -0.04 1.61 3.86 -1.87 0.21 115.15 118.69 1qaq h HIS 43 Ca 0.00 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.07 1qaq h HIS 43 Cb 0.00 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1qaq h HIS 43 CO 0.00 -0.15 -0.68 0.74 0.86 0.00 0.00 177.93 178.70 1qaq h PHE 44 N -0.11 0.24 -0.75 2.45 0.04 -1.86 -3.20 116.94 113.76 1qaq h PHE 44 Ca 0.08 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1qaq h PHE 44 Cb 0.23 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 1qaq h PHE 44 CO -0.22 0.80 0.50 1.15 -0.60 0.00 0.00 178.31 179.93 1qaq h THR 45 N 0.12 1.19 -0.68 -1.55 2.02 -1.68 -1.79 112.91 110.55 1qaq h THR 45 Ca -0.02 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 66.88 1qaq h THR 45 Cb 1.22 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1qaq h THR 45 CO 0.10 0.19 0.45 0.25 0.37 0.00 0.00 175.52 176.87 1qaq h LEU 46 N 1.01 0.59 0.19 2.58 7.12 -0.59 -2.20 115.31 124.02 1qaq h LEU 46 Ca 0.27 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 58.00 1qaq h LEU 46 Cb -0.12 -0.12 0.03 0.00 -0.53 0.00 0.00 40.66 39.92 1qaq h LEU 46 CO -0.06 0.38 -1.24 -0.33 -0.13 0.00 0.00 178.44 177.06 1qaq h GLU 47 N 0.67 0.51 -0.33 1.25 4.39 -1.49 -3.32 114.58 116.27 1qaq h GLU 47 Ca 0.29 -0.80 0.04 0.00 0.34 0.00 0.00 59.36 59.23 1qaq h GLU 47 Cb 0.29 0.29 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1qaq h GLU 47 CO -0.09 1.37 0.11 -0.07 -1.16 0.00 0.00 179.01 179.17 1qaq h LEU 48 N 0.06 0.12 -1.09 1.33 3.38 -0.93 0.61 115.31 118.79 1qaq h LEU 48 Ca -0.21 0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.92 1qaq h LEU 48 Cb 1.96 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.65 1qaq h LEU 48 CO 0.23 0.11 0.61 -0.37 0.09 0.00 0.00 178.44 179.12 1qaq h VAL 49 N 0.25 0.91 -0.08 1.22 -1.51 -1.54 1.45 116.25 116.96 1qaq h VAL 49 Ca 0.15 -0.32 -0.23 0.00 -1.23 0.00 0.00 66.70 65.06 1qaq h VAL 49 Cb 0.12 -0.10 0.01 0.00 -2.13 0.00 0.00 31.29 29.20 1qaq h VAL 49 CO -0.15 0.17 -0.88 1.56 -1.23 0.00 0.00 177.57 177.04 1qaq h GLN 50 N 0.93 0.69 -0.18 5.19 4.20 -1.50 -3.32 115.11 121.12 1qaq h GLN 50 Ca 0.48 -0.63 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 1qaq h GLN 50 Cb 0.51 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1qaq h GLN 50 CO -0.24 1.24 -0.37 -0.09 -0.67 0.00 0.00 178.83 178.69 1qaq h ARG 51 N 0.44 0.56 -6.15 1.46 9.65 0.52 -3.48 114.38 117.38 1qaq h ARG 51 Ca -0.08 -0.37 -0.53 0.00 -1.10 0.00 0.00 59.98 57.90 1qaq h ARG 51 Cb 1.51 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 30.11 1qaq h ARG 51 CO 0.17 0.98 -0.29 0.00 2.80 0.00 0.00 179.97 183.64 1qaq h ASN 53 N 0.73 0.67 -3.78 0.00 -0.73 -0.21 -3.44 115.58 108.82 1qaq h ASN 53 Ca -0.37 -0.56 -0.02 0.00 1.87 0.00 0.00 56.30 57.22 1qaq h ASN 53 Cb 1.29 -0.19 -0.22 0.00 0.27 0.00 0.00 38.32 39.47 1qaq h ASN 53 CO 0.54 1.11 0.18 0.12 -0.37 0.00 0.00 177.43 179.00 1qaq s PHE 54 N -4.00 -0.76 -0.13 0.67 2.19 -1.21 -4.84 117.98 109.90 1qaq s PHE 54 Ca -0.13 1.81 0.02 0.00 0.33 0.00 0.00 56.93 58.97 1qaq s PHE 54 Cb 0.07 0.31 0.01 0.00 -1.31 0.00 0.00 43.02 42.10 1qaq s PHE 54 CO 0.83 -0.37 -0.19 0.08 1.83 0.00 0.00 175.22 177.40 1qaq s VAL 55 N 0.46 1.83 -0.45 3.12 1.01 0.03 0.02 120.40 126.41 1qaq s VAL 55 Ca -0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1qaq s VAL 55 Cb -0.05 -1.64 0.10 0.00 0.00 0.00 0.00 36.38 34.79 1qaq s VAL 55 CO -0.02 0.50 0.31 -0.89 0.00 0.00 0.00 175.10 175.01 1qaq s THR 56 N 0.97 4.30 -0.04 3.92 2.01 0.81 -1.77 115.64 125.84 1qaq s THR 56 Ca -0.05 -1.55 -0.28 0.00 0.31 0.00 0.00 61.69 60.12 1qaq s THR 56 Cb -0.15 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1qaq s THR 56 CO -0.03 -0.63 0.92 0.00 -0.69 0.00 0.00 174.62 174.18 1qaq s ALA 57 N 1.41 3.26 -0.38 7.40 0.00 -0.00 -2.28 121.76 131.17 1qaq s ALA 57 Ca 0.04 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1qaq s ALA 57 Cb -0.25 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 19.70 1qaq s ALA 57 CO 0.01 -0.28 0.14 0.42 0.00 0.00 0.00 175.76 176.05 1qaq s ILE 58 N 1.18 3.10 -0.13 0.00 1.01 -0.51 -1.17 121.20 124.70 1qaq s ILE 58 Ca 0.48 -1.94 0.03 0.00 0.00 0.00 0.00 60.65 59.21 1qaq s ILE 58 Cb -0.20 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1qaq s ILE 58 CO 0.23 -0.55 -0.22 -0.70 0.00 0.00 0.00 174.94 173.70 1qaq s GLU 59 N 1.14 3.05 -0.02 2.79 2.56 -0.80 -0.67 118.70 126.74 1qaq s GLU 59 Ca 0.06 -0.85 -0.25 0.00 0.00 0.00 0.00 54.97 53.92 1qaq s GLU 59 Cb -0.22 -2.40 -0.20 0.00 2.00 0.00 0.00 34.13 33.31 1qaq s GLU 59 CO -0.04 0.07 1.22 0.97 -0.56 0.00 0.00 175.26 176.92 1qaq h ILE 60 N 5.76 1.43 -2.79 -3.70 2.10 -1.77 -2.83 117.51 115.71 1qaq h ILE 60 Ca -0.27 -1.34 -0.53 0.00 1.08 0.00 0.00 64.86 63.79 1qaq h ILE 60 Cb 1.21 2.27 0.02 0.00 -1.09 0.00 0.00 36.82 39.23 1qaq h ILE 60 CO 0.52 0.36 0.92 -0.62 -1.08 0.00 0.00 178.15 178.25 1qaq s ASP 61 N -5.86 6.69 0.17 2.19 -1.08 -1.26 -4.67 116.67 112.84 1qaq s ASP 61 Ca -0.16 2.38 -0.05 0.00 -0.52 0.00 0.00 52.55 54.21 1qaq s ASP 61 Cb 0.02 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.95 1qaq s ASP 61 CO 0.69 -0.81 1.45 -0.74 0.52 0.00 0.00 175.17 176.28 1qaq h HIS 62 N 7.89 0.75 -0.19 -5.34 -0.00 -1.96 -2.80 115.15 113.51 1qaq h HIS 62 Ca -0.41 -0.29 -0.07 0.00 -0.00 0.00 0.00 60.37 59.59 1qaq h HIS 62 Cb 1.20 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.46 1qaq h HIS 62 CO 0.75 1.05 -0.20 -0.22 -0.00 0.00 0.00 177.93 179.31 1qaq h LYS 63 N 0.42 0.33 0.00 5.26 3.64 -1.98 -2.18 116.57 122.06 1qaq h LYS 63 Ca -0.01 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 1qaq h LYS 63 Cb 1.20 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1qaq h LYS 63 CO 0.12 0.52 -0.56 -0.07 -2.27 0.00 0.00 179.45 177.19 1qaq h LEU 64 N 0.30 0.00 -1.31 5.20 3.38 -1.85 -2.02 115.31 119.01 1qaq h LEU 64 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1qaq h LEU 64 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1qaq h LEU 64 CO 0.04 0.56 0.03 0.00 0.09 0.00 0.00 178.44 179.16 1qaq h LYS 66 N 0.48 -0.13 -0.96 0.00 1.63 -1.16 -1.97 116.57 114.47 1qaq h LYS 66 Ca 0.11 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1qaq h LYS 66 Cb 0.26 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 1qaq h LYS 66 CO 0.00 0.26 0.60 1.15 -3.45 0.00 0.00 179.45 178.02 1qaq h THR 67 N -0.55 0.99 -0.77 1.00 2.02 -1.07 0.49 112.91 115.02 1qaq h THR 67 Ca -0.01 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1qaq h THR 67 Cb 0.45 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 1qaq h THR 67 CO 0.02 0.19 0.47 0.74 0.37 0.00 0.00 175.52 177.31 1qaq h THR 68 N 1.03 1.21 -0.51 3.16 2.02 -0.83 -0.65 112.91 118.34 1qaq h THR 68 Ca 0.44 -0.45 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1qaq h THR 68 Cb 0.31 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1qaq h THR 68 CO -0.22 0.22 -0.17 -0.33 0.37 0.00 0.00 175.52 175.39 1qaq h GLU 69 N 1.04 1.01 -0.63 6.66 5.08 -0.26 -1.65 114.58 125.84 1qaq h GLU 69 Ca 0.28 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1qaq h GLU 69 Cb -0.05 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1qaq h GLU 69 CO -0.05 1.09 0.26 -0.91 -1.00 0.00 0.00 179.01 178.40 1qaq h ASN 70 N 0.88 0.85 -0.51 1.42 -0.26 -0.64 -2.72 115.58 114.60 1qaq h ASN 70 Ca 0.12 -0.16 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1qaq h ASN 70 Cb 0.75 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.76 1qaq h ASN 70 CO 0.06 0.78 0.31 0.50 -1.06 0.00 0.00 177.43 178.02 1qaq h LYS 71 N 0.87 0.60 -0.88 0.81 1.63 -0.94 -2.96 116.57 115.70 1qaq h LYS 71 Ca 0.21 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.88 1qaq h LYS 71 Cb 0.19 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 1qaq h LYS 71 CO -0.02 0.40 0.12 1.28 -3.45 0.00 0.00 179.45 177.78 1qaq n LEU 72 N -4.79 3.77 -0.05 5.20 4.32 -0.64 -4.66 117.00 120.16 1qaq n LEU 72 Ca 0.03 -1.94 -0.10 0.00 -0.02 0.00 0.00 56.01 53.99 1qaq n LEU 72 Cb 0.06 -0.61 -0.03 0.00 -1.62 0.00 0.00 43.42 41.22 1qaq n LEU 72 CO 0.33 0.55 0.63 1.62 -1.22 0.00 0.00 177.39 179.30 1qaq h VAL 73 N 1.28 0.24 0.00 4.08 3.04 -1.33 -2.09 116.25 121.47 1qaq h VAL 73 Ca 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1qaq h VAL 73 Cb 1.44 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1qaq h VAL 73 CO 0.34 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.37 1qaq n ASP 74 N -5.42 1.97 -4.08 3.17 8.00 -1.26 -4.79 116.55 114.14 1qaq n ASP 74 Ca -0.02 -1.55 -0.10 0.00 0.71 0.00 0.00 54.79 53.83 1qaq n ASP 74 Cb 0.34 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 1qaq n ASP 74 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1qaq s HIS 75 N -0.06 0.62 0.00 1.24 3.76 -0.79 -5.08 115.29 114.99 1qaq s HIS 75 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1qaq s HIS 75 Cb 0.00 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.30 1qaq s HIS 75 CO 0.00 -0.20 0.00 -0.25 -0.85 0.00 0.00 174.74 173.44 1qaq n ASP 76 N 0.71 3.58 -2.40 1.40 8.00 -1.26 -4.87 116.55 121.70 1qaq n ASP 76 Ca -0.18 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 1qaq n ASP 76 Cb 0.58 0.50 -0.10 0.00 -0.02 0.00 0.00 41.12 42.09 1qaq n ASP 76 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1qaq n ASN 77 N -1.37 4.50 -3.81 -2.24 2.04 -1.26 -4.79 115.26 108.33 1qaq n ASN 77 Ca 0.00 -2.27 -0.08 0.00 -0.44 0.00 0.00 54.58 51.79 1qaq n ASN 77 Cb 0.21 -1.10 -0.02 0.00 -2.53 0.00 0.00 39.78 36.34 1qaq n ASN 77 CO 0.00 0.00 0.00 0.72 -0.44 0.00 0.00 177.26 177.54 1qaq s PHE 78 N 1.87 -0.22 -0.05 -2.53 -0.71 -1.26 -0.79 117.98 114.28 1qaq s PHE 78 Ca 0.50 -0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 56.02 1qaq s PHE 78 Cb 0.21 0.68 0.03 0.00 -1.21 0.00 0.00 43.02 42.74 1qaq s PHE 78 CO -0.01 -1.19 0.38 1.14 -1.34 0.00 0.00 175.22 174.20 1qaq s GLN 79 N -3.90 0.66 -0.35 1.99 -2.07 -0.73 -4.95 119.66 110.31 1qaq s GLN 79 Ca 0.10 0.06 0.03 0.00 -1.82 0.00 0.00 55.36 53.73 1qaq s GLN 79 Cb -0.05 0.30 0.10 0.00 -1.09 0.00 0.00 33.01 32.27 1qaq s GLN 79 CO 0.05 -0.17 0.08 0.08 -1.32 0.00 0.00 175.29 174.01 1qaq s VAL 80 N -0.90 2.46 -0.17 3.63 1.01 -1.26 -0.82 120.40 124.35 1qaq s VAL 80 Ca -0.10 -2.30 -0.23 0.00 0.00 0.00 0.00 61.98 59.36 1qaq s VAL 80 Cb -0.04 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1qaq s VAL 80 CO 0.04 -0.62 0.70 -0.76 0.00 0.00 0.00 175.10 174.47 1qaq s LEU 81 N 0.94 4.18 -1.34 3.92 1.02 -0.31 -4.97 118.68 122.11 1qaq s LEU 81 Ca 0.11 1.00 -0.11 0.00 0.02 0.00 0.00 54.13 55.14 1qaq s LEU 81 Cb -0.20 -3.03 0.12 0.00 0.02 0.00 0.00 46.19 43.11 1qaq s LEU 81 CO -0.07 -0.29 2.00 -3.20 0.02 0.00 0.00 176.35 174.81 1qaq n ASN 82 N 4.91 4.66 -4.40 2.29 5.15 -1.26 -1.91 115.26 124.69 1qaq n ASN 82 Ca 0.00 -3.02 -0.26 0.00 -0.60 0.00 0.00 54.58 50.71 1qaq n ASN 82 Cb 0.50 -1.54 -0.09 0.00 -0.53 0.00 0.00 39.78 38.11 1qaq n ASN 82 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1qaq s LYS 83 N 1.38 1.88 -0.28 1.20 -0.14 -1.07 -4.88 119.74 117.84 1qaq s LYS 83 Ca 0.42 -2.12 -0.12 0.00 -1.36 0.00 0.00 55.97 52.79 1qaq s LYS 83 Cb 0.11 -0.97 -0.05 0.00 -1.68 0.00 0.00 37.83 35.25 1qaq s LYS 83 CO -0.03 -0.31 0.24 0.34 -0.76 0.00 0.00 175.35 174.83 1qaq s ASP 84 N -3.62 6.09 0.33 2.83 -1.08 -1.26 -2.47 116.67 117.48 1qaq s ASP 84 Ca 0.26 0.08 0.12 0.00 -0.52 0.00 0.00 52.55 52.49 1qaq s ASP 84 Cb 0.05 -2.15 0.99 0.00 -1.46 0.00 0.00 42.92 40.36 1qaq s ASP 84 CO 0.13 -0.09 1.68 -0.29 0.52 0.00 0.00 175.17 177.12 1qaq h ILE 85 N 5.37 0.37 0.00 4.11 6.09 -1.96 0.45 117.51 131.95 1qaq h ILE 85 Ca -0.34 -0.13 -0.02 0.00 -1.37 0.00 0.00 64.86 62.99 1qaq h ILE 85 Cb 1.18 -0.05 -0.00 0.00 0.47 0.00 0.00 36.82 38.42 1qaq h ILE 85 CO 0.58 0.07 -0.11 -0.07 -3.07 0.00 0.00 178.15 175.55 1qaq h LEU 86 N 0.39 0.00 -1.12 2.19 3.38 -1.93 -2.56 115.31 115.66 1qaq h LEU 86 Ca 0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.66 1qaq h LEU 86 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1qaq h LEU 86 CO -0.57 0.11 -0.37 0.00 0.09 0.00 0.00 178.44 177.70 1qaq n GLN 87 N -3.76 1.45 -2.19 1.13 1.13 0.15 -4.99 117.38 110.30 1qaq n GLN 87 Ca -0.02 -1.10 -0.40 0.00 -1.94 0.00 0.00 57.00 53.55 1qaq n GLN 87 Cb 0.22 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 1qaq n GLN 87 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1qaq s PHE 88 N -2.27 3.05 -0.36 1.08 5.36 -0.69 -4.97 117.98 119.19 1qaq s PHE 88 Ca 0.19 1.49 -0.08 0.00 -0.96 0.00 0.00 56.93 57.56 1qaq s PHE 88 Cb 0.17 -3.55 0.04 0.00 -0.34 0.00 0.00 43.02 39.34 1qaq s PHE 88 CO 0.49 -1.62 0.15 0.15 -1.46 0.00 0.00 175.22 172.94 1qaq s LYS 89 N -2.03 2.67 0.61 10.12 1.02 -1.26 -5.05 119.74 125.82 1qaq s LYS 89 Ca 0.53 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.23 1qaq s LYS 89 Cb -0.36 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1qaq s LYS 89 CO 0.46 -0.71 1.01 -0.06 -0.92 0.00 0.00 175.35 175.12 1qaq s PHE 90 N 1.44 3.58 0.56 3.18 0.40 -1.26 -5.02 117.98 120.86 1qaq s PHE 90 Ca -0.00 1.20 -0.21 0.00 -0.60 0.00 0.00 56.93 57.32 1qaq s PHE 90 Cb -0.20 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1qaq s PHE 90 CO 0.04 -0.70 1.30 -2.14 0.70 0.00 0.00 175.22 174.43 1qaq s PRO 91 N -5.14 3.10 -0.05 0.24 0.02 -1.26 -4.95 135.00 126.96 1qaq s PRO 91 Ca 0.54 2.09 0.09 0.00 0.02 0.00 0.00 61.00 63.75 1qaq s PRO 91 Cb -0.11 -2.16 0.23 0.00 0.02 0.00 0.00 34.50 32.48 1qaq s PRO 91 CO 0.53 -1.18 1.17 1.63 -0.33 0.00 0.00 177.00 178.82 1qaq n LYS 92 N -1.18 2.68 -1.70 5.54 5.02 -1.26 -4.53 118.16 122.72 1qaq n LYS 92 Ca 0.11 -2.06 -0.00 0.00 -2.02 0.00 0.00 58.31 54.34 1qaq n LYS 92 Cb 0.46 -1.30 0.01 0.00 -0.02 0.00 0.00 35.03 34.19 1qaq n LYS 92 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qaq n ASN 93 N -0.30 0.36 -4.01 4.39 3.02 -1.26 -5.10 115.26 112.35 1qaq n ASN 93 Ca 0.10 -2.02 -0.08 0.00 -0.03 0.00 0.00 54.58 52.54 1qaq n ASN 93 Cb 0.47 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 1qaq n ASN 93 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qaq s GLN 94 N -0.63 0.52 -0.31 3.52 0.74 -1.26 -5.12 119.66 117.11 1qaq s GLN 94 Ca 0.22 -0.91 -0.13 0.00 0.05 0.00 0.00 55.36 54.58 1qaq s GLN 94 Cb 0.28 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.55 1qaq s GLN 94 CO -0.10 -0.11 0.28 -1.12 -0.55 0.00 0.00 175.29 173.69 1qaq s SER 95 N -2.28 6.11 0.06 6.67 0.01 -1.26 -4.91 113.70 118.10 1qaq s SER 95 Ca -0.03 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.03 1qaq s SER 95 Cb 0.00 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1qaq s SER 95 CO -0.06 -0.20 0.15 -0.72 0.41 0.00 0.00 173.24 172.82 1qaq s TYR 96 N 1.87 0.17 0.35 2.43 -0.85 -1.26 -4.35 117.35 115.72 1qaq s TYR 96 Ca 0.09 -0.53 0.09 0.00 -0.52 0.00 0.00 57.07 56.20 1qaq s TYR 96 Cb -0.16 -0.10 -0.06 0.00 0.38 0.00 0.00 41.96 42.01 1qaq s TYR 96 CO 0.11 -0.46 -0.06 0.15 -1.52 0.00 0.00 175.55 173.77 1qaq s LYS 97 N -3.26 1.89 0.05 -3.49 1.02 -0.45 -2.38 119.74 113.12 1qaq s LYS 97 Ca 0.00 -1.92 0.05 0.00 0.02 0.00 0.00 55.97 54.13 1qaq s LYS 97 Cb 0.02 -1.75 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 1qaq s LYS 97 CO -0.08 0.11 -0.14 0.42 -0.92 0.00 0.00 175.35 174.74 1qaq s ILE 98 N -2.60 1.14 0.05 2.17 1.01 0.19 -1.95 121.20 121.21 1qaq s ILE 98 Ca 0.33 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1qaq s ILE 98 Cb 0.03 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1qaq s ILE 98 CO 0.17 -0.03 -0.08 0.12 0.00 0.00 0.00 174.94 175.12 1qaq s PHE 99 N -0.93 0.73 -0.30 3.97 2.19 -0.91 0.75 117.98 123.49 1qaq s PHE 99 Ca 0.01 -0.55 -0.17 0.00 0.33 0.00 0.00 56.93 56.55 1qaq s PHE 99 Cb -0.08 -0.43 0.20 0.00 -1.31 0.00 0.00 43.02 41.39 1qaq s PHE 99 CO 0.01 -0.08 1.23 0.20 1.83 0.00 0.00 175.22 178.41 1qaq s GLY 100 N -1.79 0.52 -1.08 13.12 0.00 -0.01 -1.33 107.32 116.74 1qaq s GLY 100 Ca -0.07 3.71 -0.06 0.00 0.00 0.00 0.00 44.72 48.30 1qaq s GLY 100 CO -0.00 2.67 1.28 -2.01 0.00 0.00 0.00 173.10 175.04 1qaq n ASN 101 N 3.04 5.90 -4.85 1.64 5.15 -1.26 -0.65 115.26 124.23 1qaq n ASN 101 Ca -0.17 -3.24 -0.32 0.00 -0.60 0.00 0.00 54.58 50.25 1qaq n ASN 101 Cb 0.56 -1.30 -0.04 0.00 -0.53 0.00 0.00 39.78 38.47 1qaq n ASN 101 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1qaq s ILE 102 N -2.08 4.59 0.58 -1.44 -4.36 -1.18 -4.93 121.20 112.38 1qaq s ILE 102 Ca 0.31 1.07 -0.19 0.00 -0.26 0.00 0.00 60.65 61.58 1qaq s ILE 102 Cb -0.02 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.96 1qaq s ILE 102 CO 0.01 -0.52 1.22 -2.84 0.24 0.00 0.00 174.94 173.06 1qaq s PRO 103 N -3.73 3.02 0.00 0.37 0.02 -1.26 -4.74 135.00 128.68 1qaq s PRO 103 Ca 0.57 1.88 -0.24 0.00 0.02 0.00 0.00 61.00 63.22 1qaq s PRO 103 Cb -0.10 -1.99 -0.15 0.00 0.02 0.00 0.00 34.50 32.28 1qaq s PRO 103 CO 0.27 -1.18 1.12 -0.92 -0.33 0.00 0.00 177.00 175.95 1qaq h TYR 104 N 1.01 -0.54 -1.38 6.54 -0.00 -1.96 -2.77 116.97 117.86 1qaq h TYR 104 Ca -0.50 -0.01 0.44 0.00 -0.00 0.00 0.00 58.73 58.66 1qaq h TYR 104 Cb 1.30 0.18 -0.12 0.00 -0.00 0.00 0.00 36.73 38.08 1qaq h TYR 104 CO 0.47 -0.21 0.91 -2.95 -0.00 0.00 0.00 178.16 176.37 1qaq h ASN 105 N -0.95 0.21 -0.07 -2.11 -1.07 -1.99 0.18 115.58 109.77 1qaq h ASN 105 Ca -0.06 0.12 -0.00 0.00 0.07 0.00 0.00 56.30 56.43 1qaq h ASN 105 Cb 0.57 0.11 -0.00 0.00 -2.07 0.00 0.00 38.32 36.92 1qaq h ASN 105 CO 0.10 -0.16 -0.00 2.30 0.07 0.00 0.00 177.43 179.74 1qaq n ILE 106 N -4.60 2.00 0.02 6.14 -5.35 -1.23 -4.76 119.36 111.58 1qaq n ILE 106 Ca 0.37 -2.16 -0.10 0.00 -0.27 0.00 0.00 62.75 60.59 1qaq n ILE 106 Cb 1.48 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 39.10 1qaq n ILE 106 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1qaq h SER 107 N 0.51 -0.72 -0.60 7.28 0.02 -0.65 -0.45 113.55 118.94 1qaq h SER 107 Ca 0.00 0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.16 1qaq h SER 107 Cb 1.13 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 63.91 1qaq h SER 107 CO 0.06 -0.29 0.21 0.74 -1.14 0.00 0.00 176.83 176.41 1qaq h THR 108 N -0.32 0.75 -0.12 -2.27 2.02 -1.86 -0.04 112.91 111.07 1qaq h THR 108 Ca 0.09 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1qaq h THR 108 Cb 0.45 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1qaq h THR 108 CO -0.28 0.07 -0.36 0.44 0.37 0.00 0.00 175.52 175.76 1qaq h ASP 109 N 0.38 0.25 -0.01 4.18 3.32 -1.76 -1.85 116.42 120.92 1qaq h ASP 109 Ca 0.31 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1qaq h ASP 109 Cb 0.39 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1qaq h ASP 109 CO -0.32 0.60 -0.06 0.40 -1.72 0.00 0.00 179.24 178.13 1qaq h ILE 110 N 0.21 1.54 -0.95 0.35 2.04 -0.35 -1.97 117.51 118.37 1qaq h ILE 110 Ca 0.02 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1qaq h ILE 110 Cb 0.74 2.64 -0.05 0.00 -0.74 0.00 0.00 36.82 39.41 1qaq h ILE 110 CO 0.06 0.44 0.59 -0.29 0.00 0.00 0.00 178.15 178.95 1qaq h ILE 111 N -0.61 1.26 -0.46 -0.67 2.10 -1.06 0.40 117.51 118.47 1qaq h ILE 111 Ca -0.01 -0.53 -0.08 0.00 1.08 0.00 0.00 64.86 65.33 1qaq h ILE 111 Cb 0.76 -0.11 -0.02 0.00 -1.09 0.00 0.00 36.82 36.36 1qaq h ILE 111 CO 0.01 0.26 -0.01 0.03 -1.08 0.00 0.00 178.15 177.37 1qaq h ARG 112 N 1.31 0.82 0.10 2.19 3.08 -1.39 -1.09 114.38 119.40 1qaq h ARG 112 Ca 0.34 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1qaq h ARG 112 Cb -0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1qaq h ARG 112 CO -0.07 0.88 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.42 1qaq h LYS 113 N 0.67 -0.17 0.00 0.04 1.63 -0.58 0.73 116.57 118.89 1qaq h LYS 113 Ca 0.13 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1qaq h LYS 113 Cb 0.51 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1qaq h LYS 113 CO 0.03 -0.11 -0.17 -0.84 -3.45 0.00 0.00 179.45 174.90 1qaq h ILE 114 N -0.17 0.36 0.01 2.00 3.07 -0.89 0.19 117.51 122.08 1qaq h ILE 114 Ca -0.01 -1.16 -0.30 0.00 1.55 0.00 0.00 64.86 64.94 1qaq h ILE 114 Cb 0.15 1.88 -0.05 0.00 -0.27 0.00 0.00 36.82 38.53 1qaq h ILE 114 CO 0.00 0.17 -1.79 0.52 -1.05 0.00 0.00 178.15 176.01 1qaq n VAL 115 N -3.23 1.60 -0.04 0.16 0.31 -0.42 -3.92 118.33 112.79 1qaq n VAL 115 Ca 0.01 -0.79 0.01 0.00 -0.01 0.00 0.00 64.34 63.56 1qaq n VAL 115 Cb 0.48 -1.04 -0.13 0.00 -0.91 0.00 0.00 33.84 32.24 1qaq n VAL 115 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1qaq n PHE 116 N -3.05 0.00 -1.90 3.52 3.72 0.24 -4.57 117.46 115.42 1qaq n PHE 116 Ca -0.19 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.96 1qaq n PHE 116 Cb 1.06 -0.58 0.04 0.00 -0.94 0.00 0.00 39.48 39.05 1qaq n PHE 116 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1qaq n ASP 117 N -2.34 5.20 -3.43 4.37 2.03 0.68 -5.00 116.55 118.07 1qaq n ASP 117 Ca -0.14 -3.76 -0.12 0.00 0.52 0.00 0.00 54.79 51.29 1qaq n ASP 117 Cb 0.72 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.66 1qaq n ASP 117 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1qaq s SER 118 N -3.32 -0.56 -0.17 1.67 0.15 -1.24 -4.56 113.70 105.68 1qaq s SER 118 Ca 0.53 0.04 0.15 0.00 0.70 0.00 0.00 55.95 57.37 1qaq s SER 118 Cb 0.42 0.58 0.36 0.00 -1.71 0.00 0.00 66.02 65.66 1qaq s SER 118 CO 0.03 -0.92 1.18 2.30 1.20 0.00 0.00 173.24 177.04 1qaq n ILE 119 N -0.29 2.03 -1.69 6.45 -5.35 -1.26 -4.77 119.36 114.49 1qaq n ILE 119 Ca -0.16 -2.75 -0.45 0.00 -0.27 0.00 0.00 62.75 59.12 1qaq n ILE 119 Cb 0.64 -0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 1qaq n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qaq n ALA 120 N -1.26 1.85 0.72 -1.28 0.00 -1.26 -4.78 120.51 114.50 1qaq n ALA 120 Ca 0.17 0.42 0.13 0.00 0.00 0.00 0.00 53.44 54.16 1qaq n ALA 120 Cb 0.67 -2.43 0.47 0.00 0.00 0.00 0.00 19.45 18.16 1qaq n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qaq n ASP 121 N 3.89 0.57 -3.68 0.00 5.68 -1.00 -4.65 116.55 117.36 1qaq n ASP 121 Ca 0.17 0.56 -0.10 0.00 -0.50 0.00 0.00 54.79 54.91 1qaq n ASP 121 Cb 0.31 -0.71 -0.11 0.00 -1.14 0.00 0.00 41.12 39.47 1qaq n ASP 121 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1qaq s GLU 122 N -3.08 0.31 -0.12 0.11 2.12 -1.26 -1.58 118.70 115.20 1qaq s GLU 122 Ca 0.11 0.86 0.03 0.00 0.36 0.00 0.00 54.97 56.33 1qaq s GLU 122 Cb 0.14 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.64 1qaq s GLU 122 CO 0.57 -0.22 -0.22 0.42 -0.54 0.00 0.00 175.26 175.27 1qaq s ILE 123 N 2.03 2.01 -0.21 -3.70 1.01 0.01 -0.64 121.20 121.71 1qaq s ILE 123 Ca -0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 1qaq s ILE 123 Cb -0.11 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 1qaq s ILE 123 CO -0.12 0.54 -0.07 -0.31 0.00 0.00 0.00 174.94 174.99 1qaq s TYR 124 N 0.62 2.93 0.10 3.97 2.02 0.23 -0.07 117.35 127.15 1qaq s TYR 124 Ca -0.12 -1.03 0.05 0.00 -0.37 0.00 0.00 57.07 55.60 1qaq s TYR 124 Cb -0.17 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1qaq s TYR 124 CO 0.03 -0.57 -0.13 -0.51 -1.57 0.00 0.00 175.55 172.79 1qaq s LEU 125 N 1.41 2.36 -0.19 -1.29 1.43 -0.77 -0.83 118.68 120.80 1qaq s LEU 125 Ca 0.05 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1qaq s LEU 125 Cb -0.14 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.60 1qaq s LEU 125 CO -0.04 -0.15 -0.11 -0.63 0.23 0.00 0.00 176.35 175.65 1qaq s ILE 126 N -1.91 2.92 0.34 -0.59 1.01 0.17 0.14 121.20 123.27 1qaq s ILE 126 Ca 0.04 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1qaq s ILE 126 Cb -0.06 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1qaq s ILE 126 CO 0.02 0.48 0.19 0.68 0.00 0.00 0.00 174.94 176.31 1qaq s VAL 127 N 1.19 0.26 0.27 2.92 -7.23 -0.39 -3.08 120.40 114.34 1qaq s VAL 127 Ca 0.02 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 1qaq s VAL 127 Cb -0.14 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 1qaq s VAL 127 CO -0.04 0.00 1.25 -1.61 -0.31 0.00 0.00 175.10 174.39 1qaq s GLU 128 N -3.67 4.44 0.29 4.82 2.02 -1.26 0.50 118.70 125.84 1qaq s GLU 128 Ca 0.34 2.05 -0.02 0.00 0.02 0.00 0.00 54.97 57.36 1qaq s GLU 128 Cb 0.03 -3.15 0.63 0.00 0.10 0.00 0.00 34.13 31.74 1qaq s GLU 128 CO 0.20 -0.11 1.58 -0.92 0.02 0.00 0.00 175.26 176.03 1qaq h TYR 129 N 4.21 -0.17 0.05 1.61 3.20 -1.51 -0.06 116.97 124.30 1qaq h TYR 129 Ca -0.47 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 1qaq h TYR 129 Cb 1.22 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.72 1qaq h TYR 129 CO 0.59 -0.40 -0.02 0.78 -1.64 0.00 0.00 178.16 177.46 1qaq h GLY 130 N 0.02 -0.07 0.90 1.82 0.00 -1.91 -2.12 103.07 101.71 1qaq h GLY 130 Ca 0.54 0.03 0.13 0.00 0.00 0.00 0.00 47.33 48.03 1qaq h GLY 130 CO -0.91 -0.02 0.43 -2.75 0.00 0.00 0.00 176.54 173.28 1qaq h PHE 131 N -0.37 0.31 -0.27 5.60 3.04 -1.46 0.68 116.94 124.47 1qaq h PHE 131 Ca -0.01 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1qaq h PHE 131 Cb 0.34 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1qaq h PHE 131 CO 0.03 0.13 -0.19 0.00 -2.02 0.00 0.00 178.31 176.26 1qaq h ALA 132 N 1.69 0.39 -0.64 2.41 0.00 -0.86 -2.52 119.26 119.73 1qaq h ALA 132 Ca 0.30 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1qaq h ALA 132 Cb 0.79 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1qaq h ALA 132 CO -0.07 0.32 0.42 0.87 0.00 0.00 0.00 179.25 180.79 1qaq h LYS 133 N 0.34 0.65 -0.21 0.00 1.79 -0.23 -2.18 116.57 116.72 1qaq h LYS 133 Ca 0.05 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.35 1qaq h LYS 133 Cb 0.73 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1qaq h LYS 133 CO 0.05 0.43 -0.44 0.00 -1.08 0.00 0.00 179.45 178.41 1qaq h ARG 134 N 0.67 0.52 -0.00 3.15 3.08 -0.89 -2.79 114.38 118.11 1qaq h ARG 134 Ca 0.27 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qaq h ARG 134 Cb 0.22 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1qaq h ARG 134 CO -0.08 0.86 0.00 -0.07 -1.07 0.00 0.00 179.97 179.61 1qaq h LEU 135 N 0.42 0.00 -1.64 3.04 4.07 -0.98 -0.91 115.31 119.31 1qaq h LEU 135 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1qaq h LEU 135 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1qaq h LEU 135 CO 0.08 0.00 -0.07 0.18 -1.08 0.00 0.00 178.44 177.55 1qaq n LEU 136 N -3.32 2.55 -4.54 1.67 4.77 -1.07 -4.50 117.00 112.56 1qaq n LEU 136 Ca -0.03 -0.96 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 1qaq n LEU 136 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1qaq n LEU 136 CO 0.22 0.44 0.68 0.21 -1.33 0.00 0.00 177.39 177.62 1qaq s ASN 137 N -1.80 6.40 0.00 -1.43 3.04 -0.35 -4.92 114.94 115.89 1qaq s ASN 137 Ca 0.22 -0.16 0.06 0.00 0.04 0.00 0.00 52.86 53.03 1qaq s ASN 137 Cb 0.17 -2.42 0.36 0.00 -1.54 0.00 0.00 41.25 37.82 1qaq s ASN 137 CO 0.30 -1.07 0.80 0.35 -3.04 0.00 0.00 177.10 174.43 1qaq n THR 138 N 6.23 0.00 1.08 -5.21 -2.24 -1.26 -1.97 114.28 110.91 1qaq n THR 138 Ca 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1qaq n THR 138 Cb 0.48 -0.84 0.25 0.00 -2.10 0.00 0.00 70.33 68.12 1qaq n THR 138 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qaq n LYS 139 N -0.95 0.33 -4.67 -0.78 5.02 -1.26 -4.90 118.16 110.96 1qaq n LYS 139 Ca 0.05 -0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 55.80 1qaq n LYS 139 Cb 0.02 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.42 1qaq n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qaq s ARG 140 N -2.81 2.64 0.42 1.97 0.52 -0.83 -4.79 118.95 116.06 1qaq s ARG 140 Ca 0.16 -0.62 0.10 0.00 -0.52 0.00 0.00 55.73 54.84 1qaq s ARG 140 Cb 0.18 -2.51 0.93 0.00 0.52 0.00 0.00 34.95 34.06 1qaq s ARG 140 CO 0.65 0.64 2.03 0.66 0.02 0.00 0.00 175.30 179.30 1qaq h SER 141 N 5.14 0.43 0.42 0.23 4.64 -1.89 -2.81 113.55 119.70 1qaq h SER 141 Ca -0.48 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1qaq h SER 141 Cb 1.17 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1qaq h SER 141 CO 0.52 0.29 -0.20 0.25 -0.87 0.00 0.00 176.83 176.82 1qaq h LEU 142 N 0.50 -0.47 -1.11 5.97 6.46 -1.94 -0.77 115.31 123.94 1qaq h LEU 142 Ca 0.20 -0.06 0.16 0.00 -0.12 0.00 0.00 57.88 58.06 1qaq h LEU 142 Cb 0.16 0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 1qaq h LEU 142 CO -0.05 -0.23 0.61 0.00 -0.62 0.00 0.00 178.44 178.16 1qaq h ALA 143 N -0.19 1.72 -0.41 1.25 0.00 -1.75 0.47 119.26 120.34 1qaq h ALA 143 Ca -0.06 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1qaq h ALA 143 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1qaq h ALA 143 CO 0.09 -0.02 -0.33 -0.07 0.00 0.00 0.00 179.25 178.92 1qaq h LEU 144 N 0.78 1.01 -0.52 0.00 4.07 -1.24 -0.25 115.31 119.16 1qaq h LEU 144 Ca 0.52 -0.44 -0.14 0.00 0.08 0.00 0.00 57.88 57.89 1qaq h LEU 144 Cb 0.78 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1qaq h LEU 144 CO -0.29 1.24 -0.34 -0.26 -1.08 0.00 0.00 178.44 177.71 1qaq h PHE 145 N 0.79 0.99 -0.42 1.13 0.04 -0.15 -3.22 116.94 116.09 1qaq h PHE 145 Ca 0.08 -0.27 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 1qaq h PHE 145 Cb 0.92 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1qaq h PHE 145 CO 0.06 1.06 -0.25 -0.07 -0.60 0.00 0.00 178.31 178.50 1qaq h LEU 146 N 0.70 0.89 0.00 1.54 4.07 -0.83 -3.14 115.31 118.54 1qaq h LEU 146 Ca 0.07 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1qaq h LEU 146 Cb 0.90 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1qaq h LEU 146 CO 0.08 1.09 0.00 0.23 -1.08 0.00 0.00 178.44 178.77 1qaq n MET 147 N -4.10 0.11 0.12 1.13 2.81 -0.11 -1.39 117.12 115.70 1qaq n MET 147 Ca -0.00 0.20 0.12 0.00 -1.81 0.00 0.00 57.70 56.21 1qaq n MET 147 Cb 0.46 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.67 1qaq n MET 147 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qaq h ALA 148 N 2.59 0.78 0.00 3.04 0.00 -1.63 -3.38 119.26 120.67 1qaq h ALA 148 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1qaq h ALA 148 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qaq h ALA 148 CO 0.00 0.00 -1.47 0.39 0.00 0.00 0.00 179.25 178.17 1qaq n GLU 149 N -2.53 2.85 -3.94 0.00 -0.58 -0.63 -1.74 120.64 114.06 1qaq n GLU 149 Ca 0.03 -0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.69 1qaq n GLU 149 Cb 0.48 -1.17 -0.08 0.00 -0.57 0.00 0.00 31.44 30.09 1qaq n GLU 149 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1qaq s VAL 150 N -2.16 0.17 -0.13 2.62 -7.23 -0.48 -2.68 120.40 110.51 1qaq s VAL 150 Ca -0.03 -1.37 -0.13 0.00 -1.81 0.00 0.00 61.98 58.64 1qaq s VAL 150 Cb 0.02 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 1qaq s VAL 150 CO 0.28 -0.76 0.28 -1.81 -0.31 0.00 0.00 175.10 172.78 1qaq s ASP 151 N -2.76 6.49 -0.17 4.85 1.01 0.74 -4.28 116.67 122.53 1qaq s ASP 151 Ca 0.04 0.57 -0.04 0.00 0.71 0.00 0.00 52.55 53.84 1qaq s ASP 151 Cb 0.05 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 1qaq s ASP 151 CO -0.10 0.20 -0.04 -0.63 0.21 0.00 0.00 175.17 174.81 1qaq s ILE 152 N -0.09 3.70 -0.03 0.77 1.01 -1.26 -0.69 121.20 124.61 1qaq s ILE 152 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 1qaq s ILE 152 Cb -0.13 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.72 1qaq s ILE 152 CO 0.05 0.47 0.07 -0.94 0.00 0.00 0.00 174.94 174.59 1qaq s SER 153 N 0.71 -0.04 -0.35 3.58 1.04 -0.64 -4.99 113.70 113.01 1qaq s SER 153 Ca -0.02 0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 1qaq s SER 153 Cb -0.15 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 1qaq s SER 153 CO 0.02 -0.07 0.59 -0.63 0.98 0.00 0.00 173.24 174.13 1qaq s ILE 154 N 0.49 4.94 0.01 -1.02 1.01 -1.26 -0.26 121.20 125.11 1qaq s ILE 154 Ca -0.04 0.54 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1qaq s ILE 154 Cb -0.05 -4.03 -0.25 0.00 0.01 0.00 0.00 42.46 38.13 1qaq s ILE 154 CO -0.02 -0.26 0.86 -0.07 0.00 0.00 0.00 174.94 175.45 1qaq h LEU 155 N 9.26 0.23 -7.77 2.97 3.38 -1.41 -3.49 115.31 118.47 1qaq h LEU 155 Ca -0.27 -0.34 0.25 0.00 0.09 0.00 0.00 57.88 57.61 1qaq h LEU 155 Cb 1.12 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1qaq h LEU 155 CO 0.81 1.29 0.72 -0.94 0.09 0.00 0.00 178.44 180.41 1qaq s SER 156 N -6.73 -0.03 -0.15 -0.43 1.04 -1.20 -4.99 113.70 101.22 1qaq s SER 156 Ca -0.07 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 55.91 1qaq s SER 156 Cb 0.08 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1qaq s SER 156 CO 0.84 -0.63 0.04 -0.32 0.98 0.00 0.00 173.24 174.15 1qaq s MET 157 N -2.31 3.67 -0.40 4.02 1.75 -1.26 -1.43 119.30 123.34 1qaq s MET 157 Ca 0.21 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 54.20 1qaq s MET 157 Cb -0.00 -3.07 0.07 0.00 2.84 0.00 0.00 34.83 34.66 1qaq s MET 157 CO 0.01 0.41 0.24 0.08 -0.65 0.00 0.00 175.02 175.11 1qaq s VAL 158 N -0.03 4.25 0.40 10.11 1.01 0.44 -4.91 120.40 131.66 1qaq s VAL 158 Ca 0.05 -1.29 -0.27 0.00 0.00 0.00 0.00 61.98 60.48 1qaq s VAL 158 Cb -0.12 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1qaq s VAL 158 CO 0.01 -0.43 1.36 -2.65 0.00 0.00 0.00 175.10 173.39 1qaq n PRO 159 N 4.92 2.24 0.32 2.72 -0.02 -1.26 -0.98 135.00 142.93 1qaq n PRO 159 Ca -0.11 0.79 0.20 0.00 -2.02 0.00 0.00 63.50 62.36 1qaq n PRO 159 Cb 0.44 -2.49 1.07 0.00 -0.02 0.00 0.00 33.50 32.49 1qaq n PRO 159 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1qaq h ARG 160 N 2.46 0.00 0.00 -0.52 0.11 -1.92 -1.16 114.38 113.36 1qaq h ARG 160 Ca -0.49 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.55 1qaq h ARG 160 Cb 1.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 1qaq h ARG 160 CO 0.62 0.01 -0.21 0.93 0.10 0.00 0.00 179.97 181.42 1qaq h GLU 161 N 0.00 0.00 0.00 0.08 3.07 -1.92 -0.93 114.58 114.88 1qaq h GLU 161 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qaq h GLU 161 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1qaq h GLU 161 CO 0.00 0.21 0.00 1.88 -1.40 0.00 0.00 179.01 179.70 1qaq h TYR 162 N 0.00 0.00 -2.03 4.33 -1.99 -1.56 -3.43 116.97 112.29 1qaq h TYR 162 Ca -0.00 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 1qaq h TYR 162 Cb 0.41 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.12 1qaq h TYR 162 CO 0.00 0.00 -0.45 -0.06 -0.00 0.00 0.00 178.16 177.65 1qaq s PHE 163 N -3.64 3.14 -0.29 4.88 0.08 -0.35 -4.27 117.98 117.53 1qaq s PHE 163 Ca -0.01 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.76 1qaq s PHE 163 Cb 0.09 -1.65 0.11 0.00 -0.57 0.00 0.00 43.02 40.99 1qaq s PHE 163 CO 0.32 0.32 0.65 -1.58 -0.10 0.00 0.00 175.22 174.83 1qaq s HIS 164 N -2.15 -1.22 0.29 0.36 5.65 -0.60 -3.84 115.29 113.78 1qaq s HIS 164 Ca 0.37 2.23 -0.29 0.00 0.25 0.00 0.00 55.06 57.63 1qaq s HIS 164 Cb -0.08 0.73 -0.13 0.00 -1.18 0.00 0.00 32.58 31.92 1qaq s HIS 164 CO 0.27 -0.61 1.23 -2.30 -0.65 0.00 0.00 174.74 172.68 1qaq n PRO 165 N 5.03 1.83 -1.78 2.88 -0.02 -1.26 -1.61 135.00 140.07 1qaq n PRO 165 Ca -0.15 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 1qaq n PRO 165 Cb 0.53 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1qaq n PRO 165 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qaq s LYS 166 N -1.38 2.94 1.09 -0.52 2.20 -1.25 -4.86 119.74 117.96 1qaq s LYS 166 Ca 0.60 1.53 -0.12 0.00 -0.36 0.00 0.00 55.97 57.62 1qaq s LYS 166 Cb -0.64 -4.36 0.24 0.00 -1.51 0.00 0.00 37.83 31.57 1qaq s LYS 166 CO 0.58 -2.32 1.06 -1.25 -0.36 0.00 0.00 175.35 173.06 1qaq s PRO 167 N 6.56 -0.34 0.00 4.03 0.04 -1.26 -4.94 135.00 139.09 1qaq s PRO 167 Ca 0.89 0.86 0.28 0.00 0.04 0.00 0.00 61.00 63.08 1qaq s PRO 167 Cb -0.24 -1.62 1.14 0.00 0.04 0.00 0.00 34.50 33.83 1qaq s PRO 167 CO 0.31 -3.34 1.86 1.63 0.04 0.00 0.00 177.00 177.50 1qaq n LYS 168 N -4.65 0.03 -3.93 4.56 5.02 -1.26 -4.88 118.16 113.04 1qaq n LYS 168 Ca 0.05 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.24 1qaq n LYS 168 Cb 0.55 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.96 1qaq n LYS 168 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1qaq s VAL 169 N -2.98 0.14 1.08 -0.18 -7.23 -1.26 -5.12 120.40 104.85 1qaq s VAL 169 Ca 0.14 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.99 1qaq s VAL 169 Cb 0.19 -1.00 0.23 0.00 0.56 0.00 0.00 36.38 36.35 1qaq s VAL 169 CO 0.55 -0.64 1.13 0.20 -0.31 0.00 0.00 175.10 176.03 1qaq s ASN 170 N -2.28 2.00 0.25 4.85 0.02 -1.26 -4.55 114.94 113.97 1qaq s ASN 170 Ca -0.03 0.79 0.01 0.00 -1.02 0.00 0.00 52.86 52.61 1qaq s ASN 170 Cb 0.00 -1.18 -0.05 0.00 0.02 0.00 0.00 41.25 40.05 1qaq s ASN 170 CO -0.06 -3.47 0.10 -0.44 0.02 0.00 0.00 177.10 173.25 1qaq s SER 171 N -3.91 1.09 0.06 -1.22 0.01 -0.16 -1.51 113.70 108.07 1qaq s SER 171 Ca 0.69 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 56.60 1qaq s SER 171 Cb -0.12 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 1qaq s SER 171 CO 0.56 -0.75 -0.13 -0.44 0.41 0.00 0.00 173.24 172.88 1qaq s SER 172 N -3.30 1.54 -0.25 2.44 0.01 0.18 0.17 113.70 114.48 1qaq s SER 172 Ca 0.38 -0.55 -0.14 0.00 1.31 0.00 0.00 55.95 56.95 1qaq s SER 172 Cb 0.08 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1qaq s SER 172 CO 0.14 -0.06 0.33 -0.22 0.41 0.00 0.00 173.24 173.84 1qaq s LEU 173 N -1.49 4.07 0.31 2.44 0.20 -0.51 -1.26 118.68 122.43 1qaq s LEU 173 Ca -0.02 0.27 0.11 0.00 0.69 0.00 0.00 54.13 55.18 1qaq s LEU 173 Cb -0.09 -2.36 -0.06 0.00 -0.43 0.00 0.00 46.19 43.25 1qaq s LEU 173 CO 0.02 -0.11 -0.14 0.27 -0.29 0.00 0.00 176.35 176.10 1qaq s ILE 174 N 1.73 2.41 -0.08 6.68 -4.36 0.12 -0.98 121.20 126.72 1qaq s ILE 174 Ca 0.14 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 1qaq s ILE 174 Cb -0.15 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1qaq s ILE 174 CO 0.09 -0.30 -0.09 -0.60 0.24 0.00 0.00 174.94 174.28 1qaq s ARG 175 N -3.57 1.40 -0.25 0.37 3.52 0.65 -1.84 118.95 119.23 1qaq s ARG 175 Ca 0.31 -0.27 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 1qaq s ARG 175 Cb -0.02 -1.32 -0.01 0.00 -1.56 0.00 0.00 34.95 32.05 1qaq s ARG 175 CO 0.16 -0.10 0.02 -0.51 -0.81 0.00 0.00 175.30 174.06 1qaq s LEU 176 N 1.10 3.30 -0.14 -0.88 1.02 0.90 -1.62 118.68 122.36 1qaq s LEU 176 Ca -0.07 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 53.66 1qaq s LEU 176 Cb -0.14 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 1qaq s LEU 176 CO -0.01 -0.06 -0.07 0.20 0.02 0.00 0.00 176.35 176.43 1qaq s ASN 177 N 1.53 4.56 0.55 2.29 0.01 0.13 -0.81 114.94 123.20 1qaq s ASN 177 Ca 0.05 -0.17 -0.19 0.00 -0.71 0.00 0.00 52.86 51.84 1qaq s ASN 177 Cb -0.15 -1.66 -0.06 0.00 0.41 0.00 0.00 41.25 39.79 1qaq s ASN 177 CO 0.00 0.19 1.14 -0.60 -1.51 0.00 0.00 177.10 176.33 1qaq s ARG 178 N 0.21 3.30 0.10 -0.60 6.06 -0.61 -0.19 118.95 127.22 1qaq s ARG 178 Ca -0.04 1.64 -0.07 0.00 -2.50 0.00 0.00 55.73 54.77 1qaq s ARG 178 Cb -0.14 -2.00 -0.01 0.00 0.06 0.00 0.00 34.95 32.86 1qaq s ARG 178 CO 0.04 -0.90 0.15 -1.59 -2.50 0.00 0.00 175.30 170.50 1qaq s LYS 179 N -3.29 0.86 -0.01 5.12 -2.85 -1.09 -4.83 119.74 113.65 1qaq s LYS 179 Ca 0.73 -1.07 -0.33 0.00 -1.00 0.00 0.00 55.97 54.30 1qaq s LYS 179 Cb -0.25 0.32 -0.11 0.00 -2.06 0.00 0.00 37.83 35.73 1qaq s LYS 179 CO 0.28 -0.26 1.87 1.17 0.10 0.00 0.00 175.35 178.50 1qaq n LYS 180 N -0.06 2.42 -1.60 1.78 4.81 -1.26 -4.81 118.16 119.44 1qaq n LYS 180 Ca -0.13 0.88 -0.46 0.00 -0.87 0.00 0.00 58.31 57.73 1qaq n LYS 180 Cb 0.62 -2.75 -0.03 0.00 0.02 0.00 0.00 35.03 32.89 1qaq n LYS 180 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1qaq n SER 181 N 6.42 1.61 0.04 3.14 2.88 -1.26 -4.85 113.62 121.59 1qaq n SER 181 Ca 0.21 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 59.03 1qaq n SER 181 Cb 0.33 -1.29 0.28 0.00 -0.75 0.00 0.00 64.21 62.78 1qaq n SER 181 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qaq n ARG 182 N 1.28 0.16 -4.00 -1.46 5.12 -0.71 -4.72 116.66 112.33 1qaq n ARG 182 Ca 0.12 0.06 -0.34 0.00 -1.93 0.00 0.00 57.85 55.76 1qaq n ARG 182 Cb 0.30 -1.62 -0.15 0.00 -1.16 0.00 0.00 32.46 29.83 1qaq n ARG 182 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1qaq s ILE 183 N -3.09 2.63 0.88 0.55 -1.09 -1.26 -5.10 121.20 114.73 1qaq s ILE 183 Ca 0.09 -1.13 -0.12 0.00 -2.23 0.00 0.00 60.65 57.27 1qaq s ILE 183 Cb 0.15 -2.35 0.11 0.00 -1.58 0.00 0.00 42.46 38.80 1qaq s ILE 183 CO 0.68 0.20 1.06 -1.54 -1.23 0.00 0.00 174.94 174.11 1qaq n SER 184 N 4.62 0.23 0.02 3.58 3.41 -1.26 -4.89 113.62 119.33 1qaq n SER 184 Ca -0.17 0.47 -0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1qaq n SER 184 Cb 0.46 -1.45 0.29 0.00 -0.26 0.00 0.00 64.21 63.26 1qaq n SER 184 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1qaq h HIS 185 N -1.51 0.50 -0.29 7.33 2.76 -1.99 -2.54 115.15 119.41 1qaq h HIS 185 Ca -0.44 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 57.70 1qaq h HIS 185 Cb 1.28 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 30.07 1qaq h HIS 185 CO 0.47 0.54 0.08 0.87 -1.30 0.00 0.00 177.93 178.59 1qaq h LYS 186 N 0.45 0.20 -0.31 5.26 1.57 -2.05 -1.64 116.57 120.04 1qaq h LYS 186 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1qaq h LYS 186 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1qaq h LYS 186 CO 0.02 0.13 0.00 -0.25 -0.57 0.00 0.00 179.45 178.78 1qaq n ASP 187 N -5.05 0.31 -0.03 0.86 8.00 -0.96 -4.30 116.55 115.37 1qaq n ASP 187 Ca -0.01 -1.64 -0.12 0.00 0.71 0.00 0.00 54.79 53.73 1qaq n ASP 187 Cb 0.11 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 1qaq n ASP 187 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1qaq h LYS 188 N 0.07 -0.44 -0.08 -1.24 3.64 -1.21 -0.37 116.57 116.93 1qaq h LYS 188 Ca 0.00 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1qaq h LYS 188 Cb 0.15 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1qaq h LYS 188 CO 0.00 -0.30 -0.20 1.96 -2.27 0.00 0.00 179.45 178.64 1qaq h GLN 189 N -0.46 0.27 -0.83 1.90 4.20 -1.83 -2.75 115.11 115.61 1qaq h GLN 189 Ca 0.09 -0.19 0.14 0.00 0.06 0.00 0.00 58.65 58.75 1qaq h GLN 189 Cb 0.62 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.34 1qaq h GLN 189 CO -0.45 0.80 0.43 0.87 -0.67 0.00 0.00 178.83 179.81 1qaq h LYS 190 N -0.22 0.61 -0.55 1.46 1.57 -1.82 0.26 116.57 117.88 1qaq h LYS 190 Ca -0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1qaq h LYS 190 Cb 0.81 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1qaq h LYS 190 CO 0.04 0.40 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.36 1qaq h TYR 191 N 0.62 1.10 0.19 -1.35 3.20 -1.12 -0.24 116.97 119.37 1qaq h TYR 191 Ca 0.45 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1qaq h TYR 191 Cb 0.61 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1qaq h TYR 191 CO -0.09 1.00 -0.09 -0.97 -1.64 0.00 0.00 178.16 176.37 1qaq h ASN 192 N 0.88 -0.21 -0.19 -2.11 -0.73 -0.91 0.19 115.58 112.49 1qaq h ASN 192 Ca 0.15 -0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.26 1qaq h ASN 192 Cb 0.59 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.22 1qaq h ASN 192 CO 0.04 -0.07 0.09 0.22 -0.37 0.00 0.00 177.43 177.34 1qaq h TYR 193 N -0.35 0.17 -0.95 0.67 3.20 -0.97 -1.33 116.97 117.40 1qaq h TYR 193 Ca -0.03 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1qaq h TYR 193 Cb 0.27 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1qaq h TYR 193 CO -0.04 0.10 0.59 0.35 -1.64 0.00 0.00 178.16 177.52 1qaq h PHE 194 N 0.20 1.24 -0.24 -3.82 3.57 -0.88 0.11 116.94 117.12 1qaq h PHE 194 Ca 0.08 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1qaq h PHE 194 Cb 0.02 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 1qaq h PHE 194 CO -0.09 0.81 0.07 0.28 -2.23 0.00 0.00 178.31 177.15 1qaq h VAL 195 N 1.31 1.20 -0.66 1.41 2.07 -0.24 -1.01 116.25 120.32 1qaq h VAL 195 Ca 0.34 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1qaq h VAL 195 Cb -0.08 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1qaq h VAL 195 CO -0.07 0.21 0.10 0.24 0.02 0.00 0.00 177.57 178.07 1qaq h MET 196 N 0.22 1.10 -0.35 1.57 2.86 -0.78 -1.81 114.93 117.74 1qaq h MET 196 Ca 0.08 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.31 1qaq h MET 196 Cb 0.25 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1qaq h MET 196 CO -0.00 1.01 -0.23 0.87 1.06 0.00 0.00 176.91 179.62 1qaq h LYS 197 N 1.03 0.70 -0.08 1.72 6.56 -0.70 -3.01 116.57 122.80 1qaq h LYS 197 Ca 0.20 -0.28 -0.14 0.00 -1.06 0.00 0.00 60.65 59.37 1qaq h LYS 197 Cb 0.45 -0.03 0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1qaq h LYS 197 CO 0.01 0.87 -0.51 2.35 -2.06 0.00 0.00 179.45 180.12 1qaq h TRP 198 N 0.61 0.66 -0.78 -1.35 2.91 -0.99 -1.75 115.95 115.27 1qaq h TRP 198 Ca 0.09 -0.31 0.01 0.00 1.13 0.00 0.00 58.89 59.81 1qaq h TRP 198 Cb 0.72 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.24 1qaq h TRP 198 CO 0.03 1.09 0.51 -0.39 -1.03 0.00 0.00 178.44 178.66 1qaq h VAL 199 N 0.05 1.20 -0.02 2.65 -1.51 -1.39 -0.41 116.25 116.81 1qaq h VAL 199 Ca -0.04 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1qaq h VAL 199 Cb 1.17 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 1qaq h VAL 199 CO 0.10 0.19 0.00 0.59 -1.23 0.00 0.00 177.57 177.23 1qaq n ASN 200 N -4.42 0.30 -0.53 4.19 3.02 -1.14 -4.86 115.26 111.82 1qaq n ASN 200 Ca 0.09 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.57 1qaq n ASN 200 Cb 0.03 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1qaq n ASN 200 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qaq n LYS 201 N -0.35 -1.75 -0.67 3.52 5.02 -0.17 -4.80 118.16 118.95 1qaq n LYS 201 Ca 0.01 0.57 -0.11 0.00 -2.02 0.00 0.00 58.31 56.76 1qaq n LYS 201 Cb 0.06 -4.65 -0.09 0.00 -0.02 0.00 0.00 35.03 30.33 1qaq n LYS 201 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1qaq n GLU 202 N -0.28 1.46 -0.25 1.97 1.02 -0.66 -4.66 120.64 119.23 1qaq n GLU 202 Ca -0.06 -0.80 -0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1qaq n GLU 202 Cb 0.42 -1.93 0.07 0.00 -0.02 0.00 0.00 31.44 29.97 1qaq n GLU 202 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1qaq h TYR 203 N 4.41 -0.58 -0.15 -0.32 0.05 -1.87 -1.21 116.97 117.30 1qaq h TYR 203 Ca 0.19 0.07 0.04 0.00 0.05 0.00 0.00 58.73 59.09 1qaq h TYR 203 Cb 0.84 0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 1qaq h TYR 203 CO 1.58 -0.35 0.25 0.87 -1.05 0.00 0.00 178.16 179.47 1qaq h LYS 204 N -0.04 0.00 0.00 4.88 1.57 -1.83 0.22 116.57 121.37 1qaq h LYS 204 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1qaq h LYS 204 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1qaq h LYS 204 CO -0.77 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 179.74 1qaq n LYS 205 N -3.44 0.15 0.00 3.15 5.02 -0.46 -3.93 118.16 118.65 1qaq n LYS 205 Ca 0.01 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1qaq n LYS 205 Cb 0.36 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1qaq n LYS 205 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1qaq n ILE 206 N -1.98 0.00 -3.82 -0.18 -5.35 0.52 -5.06 119.36 103.49 1qaq n ILE 206 Ca 0.05 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.28 1qaq n ILE 206 Cb 0.33 0.58 -0.13 0.00 -1.74 0.00 0.00 39.64 38.68 1qaq n ILE 206 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1qaq s PHE 207 N -1.32 -0.17 0.48 4.28 0.08 0.34 -4.96 117.98 116.70 1qaq s PHE 207 Ca 0.00 0.42 -0.08 0.00 0.12 0.00 0.00 56.93 57.39 1qaq s PHE 207 Cb 0.00 0.05 0.12 0.00 -0.57 0.00 0.00 43.02 42.62 1qaq s PHE 207 CO 0.00 -0.09 0.52 0.25 -0.10 0.00 0.00 175.22 175.81 1qaq n THR 208 N 3.05 0.00 0.14 0.64 -2.24 -1.26 -3.99 114.28 110.62 1qaq n THR 208 Ca -0.13 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.33 1qaq n THR 208 Cb 0.59 -1.43 0.19 0.00 -2.10 0.00 0.00 70.33 67.58 1qaq n THR 208 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1qaq h LYS 209 N 0.00 0.00 0.10 -0.78 3.64 -1.97 -2.92 116.57 114.63 1qaq h LYS 209 Ca -0.18 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.86 1qaq h LYS 209 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1qaq h LYS 209 CO 0.12 0.59 -1.83 -0.91 -2.27 0.00 0.00 179.45 175.15 1qaq h ASN 210 N 0.00 0.32 -0.69 4.20 2.35 -2.00 -3.19 115.58 116.57 1qaq h ASN 210 Ca -0.01 -0.64 0.03 0.00 -0.55 0.00 0.00 56.30 55.14 1qaq h ASN 210 Cb 1.04 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 1qaq h ASN 210 CO 0.08 1.57 0.45 1.56 -1.65 0.00 0.00 177.43 179.44 1qaq h GLN 211 N 0.06 0.80 -0.51 0.81 4.20 -1.92 -1.22 115.11 117.33 1qaq h GLN 211 Ca -0.35 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.21 1qaq h GLN 211 Cb 2.03 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.61 1qaq h GLN 211 CO 0.10 0.53 -0.08 0.35 -0.67 0.00 0.00 178.83 179.06 1qaq h PHE 212 N 0.83 1.06 0.04 2.96 3.04 -1.63 -0.47 116.94 122.77 1qaq h PHE 212 Ca 0.28 -0.21 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1qaq h PHE 212 Cb 0.07 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.32 1qaq h PHE 212 CO -0.00 1.00 -0.02 -0.91 -2.02 0.00 0.00 178.31 176.36 1qaq h ASN 213 N 0.81 -0.04 -0.47 0.41 4.21 -1.31 -2.30 115.58 116.88 1qaq h ASN 213 Ca 0.13 -0.43 0.06 0.00 1.21 0.00 0.00 56.30 57.27 1qaq h ASN 213 Cb 0.63 0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 37.79 1qaq h ASN 213 CO 0.04 0.42 0.16 0.78 -1.29 0.00 0.00 177.43 177.54 1qaq h ASN 214 N -0.52 0.16 -0.95 5.81 4.21 -1.29 -1.22 115.58 121.79 1qaq h ASN 214 Ca -0.01 0.06 0.07 0.00 1.21 0.00 0.00 56.30 57.63 1qaq h ASN 214 Cb 0.47 0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 37.65 1qaq h ASN 214 CO 0.01 0.12 0.61 0.28 -1.29 0.00 0.00 177.43 177.17 1qaq h SER 215 N 0.33 0.96 -0.16 5.81 0.02 -1.07 0.52 113.55 119.97 1qaq h SER 215 Ca 0.22 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1qaq h SER 215 Cb 0.23 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1qaq h SER 215 CO -0.23 0.61 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.66 1qaq h LEU 216 N 1.09 0.58 -0.92 5.07 3.38 -0.78 -1.90 115.31 121.82 1qaq h LEU 216 Ca 0.41 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1qaq h LEU 216 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1qaq h LEU 216 CO -0.16 1.04 -0.31 0.11 0.09 0.00 0.00 178.44 179.21 1qaq h LYS 217 N 0.15 0.42 -0.26 1.13 1.57 -0.87 0.18 116.57 118.89 1qaq h LYS 217 Ca 0.00 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1qaq h LYS 217 Cb 0.95 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1qaq h LYS 217 CO 0.08 0.69 0.00 1.25 -0.57 0.00 0.00 179.45 180.89 1qaq h HIS 218 N 0.37 0.49 0.00 -1.35 2.76 0.06 -2.51 115.15 114.97 1qaq h HIS 218 Ca 0.05 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1qaq h HIS 218 Cb 0.72 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1qaq h HIS 218 CO 0.02 0.61 0.00 0.00 -1.30 0.00 0.00 177.93 177.26 1qaq n ALA 219 N -2.35 2.12 -3.10 5.26 0.00 -0.72 -4.91 120.51 116.81 1qaq n ALA 219 Ca -0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1qaq n ALA 219 Cb 0.24 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.36 1qaq n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qaq n GLY 220 N 0.88 0.10 3.40 0.00 0.00 0.12 -4.86 105.19 104.83 1qaq n GLY 220 Ca 0.07 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 1qaq n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qaq s ILE 221 N -3.18 4.86 -0.16 -0.61 1.01 0.40 -4.92 121.20 118.60 1qaq s ILE 221 Ca 0.31 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 1qaq s ILE 221 Cb -0.14 -4.40 -0.14 0.00 0.01 0.00 0.00 42.46 37.80 1qaq s ILE 221 CO 0.41 -0.97 0.20 -2.24 0.00 0.00 0.00 174.94 172.35 1qaq h ASP 222 N 9.09 0.00 -3.59 3.58 3.04 -1.91 -3.44 116.42 123.19 1qaq h ASP 222 Ca -0.29 -0.41 -0.65 0.00 -3.24 0.00 0.00 57.03 52.44 1qaq h ASP 222 Cb 1.09 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.23 1qaq h ASP 222 CO 1.04 1.05 0.12 -0.62 -2.04 0.00 0.00 179.24 178.79 1qaq s ASP 223 N -6.24 6.33 0.00 4.15 -1.08 -1.26 -4.92 116.67 113.65 1qaq s ASP 223 Ca -0.19 -0.30 0.27 0.00 -0.52 0.00 0.00 52.55 51.81 1qaq s ASP 223 Cb 0.02 -2.32 1.54 0.00 -1.46 0.00 0.00 42.92 40.70 1qaq s ASP 223 CO 0.43 -0.76 1.95 -0.11 0.52 0.00 0.00 175.17 177.21 1qaq n LEU 224 N 6.22 0.00 -0.84 -1.34 7.94 -1.26 -2.37 117.00 125.34 1qaq n LEU 224 Ca -0.02 0.09 0.09 0.00 -1.11 0.00 0.00 56.01 55.07 1qaq n LEU 224 Cb 0.48 -0.09 0.13 0.00 0.53 0.00 0.00 43.42 44.47 1qaq n LEU 224 CO 0.53 -0.01 0.60 -3.20 -1.11 0.00 0.00 177.39 174.19 1qaq n ASN 225 N -1.09 2.85 -3.30 1.96 2.85 -1.26 -4.74 115.26 112.53 1qaq n ASN 225 Ca 0.18 -1.84 -0.11 0.00 -0.11 0.00 0.00 54.58 52.70 1qaq n ASN 225 Cb 0.13 -0.11 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 1qaq n ASN 225 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1qaq s ASN 226 N -1.41 0.22 0.13 1.20 3.84 -1.00 -5.02 114.94 112.89 1qaq s ASN 226 Ca 0.27 -1.38 0.09 0.00 0.21 0.00 0.00 52.86 52.05 1qaq s ASN 226 Cb 0.17 1.03 -0.04 0.00 -0.55 0.00 0.00 41.25 41.86 1qaq s ASN 226 CO 0.24 -0.22 -0.22 0.27 -2.79 0.00 0.00 177.10 174.38 1qaq s ILE 227 N 1.50 1.92 0.51 -5.21 -4.36 -1.26 -4.66 121.20 109.63 1qaq s ILE 227 Ca 0.17 -1.70 -0.11 0.00 -0.26 0.00 0.00 60.65 58.76 1qaq s ILE 227 Cb -0.11 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 1qaq s ILE 227 CO -0.04 -0.07 0.89 -0.94 0.24 0.00 0.00 174.94 175.02 1qaq s SER 228 N -2.13 6.41 0.37 4.36 1.04 -1.26 -4.72 113.70 117.76 1qaq s SER 228 Ca 0.11 1.26 0.04 0.00 0.48 0.00 0.00 55.95 57.85 1qaq s SER 228 Cb -0.09 -2.39 0.72 0.00 0.10 0.00 0.00 66.02 64.36 1qaq s SER 228 CO 0.06 -0.61 2.02 0.15 0.98 0.00 0.00 173.24 175.83 1qaq h PHE 229 N 0.52 0.70 -0.71 5.02 3.57 -1.97 -0.96 116.94 123.10 1qaq h PHE 229 Ca -0.46 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1qaq h PHE 229 Cb 1.19 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1qaq h PHE 229 CO 0.62 0.43 0.30 1.49 -2.23 0.00 0.00 178.31 178.93 1qaq h GLU 230 N 0.75 1.05 -0.41 1.11 4.57 -2.00 -1.50 114.58 118.15 1qaq h GLU 230 Ca 0.22 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1qaq h GLU 230 Cb -0.04 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 1qaq h GLU 230 CO -0.05 0.86 0.15 1.96 -1.18 0.00 0.00 179.01 180.74 1qaq h GLN 231 N 1.01 0.63 -0.94 1.92 4.20 -1.55 -2.67 115.11 117.71 1qaq h GLN 231 Ca 0.24 -0.13 0.08 0.00 0.06 0.00 0.00 58.65 58.91 1qaq h GLN 231 Cb 0.19 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 1qaq h GLN 231 CO -0.02 0.61 0.59 0.35 -0.67 0.00 0.00 178.83 179.69 1qaq h PHE 232 N 0.53 1.08 -0.75 2.96 3.57 -0.87 0.41 116.94 123.87 1qaq h PHE 232 Ca 0.14 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1qaq h PHE 232 Cb 0.23 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1qaq h PHE 232 CO 0.01 0.51 0.43 -0.07 -2.23 0.00 0.00 178.31 176.95 1qaq h LEU 233 N 1.02 0.91 -0.21 0.59 3.38 -0.97 -0.09 115.31 119.94 1qaq h LEU 233 Ca 0.43 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.36 1qaq h LEU 233 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1qaq h LEU 233 CO -0.21 0.72 0.06 -1.28 0.09 0.00 0.00 178.44 177.81 1qaq h SER 234 N 1.04 0.05 -0.07 -0.43 0.87 -0.62 0.94 113.55 115.33 1qaq h SER 234 Ca 0.27 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.89 1qaq h SER 234 Cb -0.01 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 1qaq h SER 234 CO -0.05 0.06 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.04 1qaq h LEU 235 N 0.15 -0.60 -0.95 2.23 4.07 -0.49 0.15 115.31 119.87 1qaq h LEU 235 Ca 0.09 0.09 0.10 0.00 0.08 0.00 0.00 57.88 58.25 1qaq h LEU 235 Cb 0.07 0.26 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 1qaq h LEU 235 CO -0.11 -0.25 0.59 0.15 -1.08 0.00 0.00 178.44 177.73 1qaq h PHE 236 N -0.28 1.07 -0.23 1.13 3.57 -0.51 0.52 116.94 122.21 1qaq h PHE 236 Ca 0.08 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1qaq h PHE 236 Cb 0.39 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1qaq h PHE 236 CO -0.28 0.44 -0.11 -0.97 -2.23 0.00 0.00 178.31 175.17 1qaq h ASN 237 N 0.96 0.49 -0.40 0.41 -0.73 0.26 -1.28 115.58 115.29 1qaq h ASN 237 Ca 0.46 -0.41 0.05 0.00 1.87 0.00 0.00 56.30 58.27 1qaq h ASN 237 Cb 0.41 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 1qaq h ASN 237 CO -0.25 0.79 0.14 0.28 -0.37 0.00 0.00 177.43 178.02 1qaq h SER 238 N 0.19 0.14 -0.70 1.15 0.02 -0.16 -1.21 113.55 112.99 1qaq h SER 238 Ca 0.05 0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.20 1qaq h SER 238 Cb 0.61 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 63.05 1qaq h SER 238 CO 0.03 0.11 -0.07 0.22 -1.14 0.00 0.00 176.83 175.99 1qaq h TYR 239 N 0.29 -0.18 -0.56 3.45 3.20 -0.55 0.37 116.97 123.00 1qaq h TYR 239 Ca 0.18 0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1qaq h TYR 239 Cb 0.17 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1qaq h TYR 239 CO -0.15 -0.25 0.34 0.87 -1.64 0.00 0.00 178.16 177.33 1qaq h LYS 240 N 0.06 0.67 -0.12 1.82 1.57 -0.07 -2.92 116.57 117.57 1qaq h LYS 240 Ca 0.36 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1qaq h LYS 240 Cb 0.59 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1qaq h LYS 240 CO -0.66 0.44 -0.04 1.25 -0.57 0.00 0.00 179.45 179.87 1qaq h LEU 241 N 0.69 -0.15 -2.12 2.94 5.85 -0.20 -2.65 115.31 119.67 1qaq h LEU 241 Ca 0.22 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1qaq h LEU 241 Cb -0.00 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1qaq h LEU 241 CO -0.08 -0.06 0.04 -0.26 -0.34 0.00 0.00 178.44 177.74 1qaq h PHE 242 N -0.02 0.00 -3.11 1.25 0.04 -1.12 -3.31 116.94 110.66 1qaq h PHE 242 Ca 0.06 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.15 1qaq h PHE 242 Cb 0.11 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 37.89 1qaq h PHE 242 CO -0.17 0.00 -0.21 0.09 -0.60 0.00 0.00 178.31 177.42 1qaq n ASN 243 N -4.33 4.01 0.00 2.17 3.02 -1.00 -5.12 115.26 114.01 1qaq n ASN 243 Ca -0.02 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1qaq n ASN 243 Cb 0.15 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1qaq n ASN 243 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81