#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqs n ALA 2 N 0.00 -0.16 -1.53 -5.12 0.00 -1.26 -4.73 120.51 107.71 1hqs n ALA 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1hqs n ALA 2 Cb 0.00 0.15 0.07 0.00 0.00 0.00 0.00 19.45 19.67 1hqs n ALA 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1hqs n GLN 3 N -1.60 0.77 -0.03 0.00 7.27 -1.26 -4.88 117.38 117.65 1hqs n GLN 3 Ca 0.00 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.39 1hqs n GLN 3 Cb 0.00 -2.31 -0.00 0.00 2.41 0.00 0.00 30.24 30.34 1hqs n GLN 3 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hqs n GLY 4 N 1.08 -2.43 3.21 1.69 0.00 -1.26 -4.98 105.19 102.49 1hqs n GLY 4 Ca 0.14 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 1hqs n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hqs s GLU 5 N -2.73 1.01 0.27 1.61 0.41 0.86 -4.91 118.70 115.22 1hqs s GLU 5 Ca 0.00 -0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 53.28 1hqs s GLU 5 Cb 0.00 -1.12 -0.09 0.00 -1.78 0.00 0.00 34.13 31.14 1hqs s GLU 5 CO 0.00 0.26 1.05 0.15 -0.49 0.00 0.00 175.26 176.24 1hqs s LYS 6 N -1.61 4.70 0.47 1.61 1.02 -1.26 -1.50 119.74 123.17 1hqs s LYS 6 Ca 0.03 1.71 -0.21 0.00 0.02 0.00 0.00 55.97 57.52 1hqs s LYS 6 Cb -0.09 -3.22 -0.09 0.00 -0.52 0.00 0.00 37.83 33.91 1hqs s LYS 6 CO 0.03 0.30 1.03 0.42 -0.92 0.00 0.00 175.35 176.20 1hqs s ILE 7 N -1.16 3.86 0.19 2.17 1.01 -1.26 -4.75 121.20 121.26 1hqs s ILE 7 Ca 0.43 1.18 0.01 0.00 0.00 0.00 0.00 60.65 62.28 1hqs s ILE 7 Cb -0.30 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1hqs s ILE 7 CO 0.38 -0.23 0.04 0.28 0.00 0.00 0.00 174.94 175.42 1hqs s THR 8 N -1.98 0.51 -0.00 2.92 -1.32 -0.79 -4.80 115.64 110.18 1hqs s THR 8 Ca 0.66 -1.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.19 1hqs s THR 8 Cb -0.16 -2.25 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 1hqs s THR 8 CO 0.20 -0.34 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.48 1hqs s VAL 9 N -3.78 0.78 -0.22 5.08 1.01 -1.26 0.13 120.40 122.15 1hqs s VAL 9 Ca 0.28 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1hqs s VAL 9 Cb 0.07 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.84 1hqs s VAL 9 CO 0.06 0.19 -0.02 -0.44 0.00 0.00 0.00 175.10 174.89 1hqs s SER 10 N -0.32 3.54 -1.15 3.32 0.01 -0.46 -4.83 113.70 113.82 1hqs s SER 10 Ca 0.03 -1.06 -0.19 0.00 1.31 0.00 0.00 55.95 56.04 1hqs s SER 10 Cb -0.04 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.19 1hqs s SER 10 CO -0.00 -0.26 0.78 -3.20 0.41 0.00 0.00 173.24 170.97 1hqs n ASN 11 N 4.80 -4.99 0.00 2.44 2.85 -1.26 -1.90 115.26 117.20 1hqs n ASN 11 Ca -0.11 -1.01 0.00 0.00 -0.11 0.00 0.00 54.58 53.35 1hqs n ASN 11 Cb 0.45 -3.40 0.00 0.00 1.24 0.00 0.00 39.78 38.07 1hqs n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hqs n GLY 12 N -1.69 1.48 3.67 8.20 0.00 -1.15 -4.97 105.19 110.74 1hqs n GLY 12 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1hqs n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqs s VAL 13 N -2.08 5.23 0.20 1.61 1.01 -0.80 -4.13 120.40 121.44 1hqs s VAL 13 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1hqs s VAL 13 Cb 0.00 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1hqs s VAL 13 CO 0.00 0.27 1.19 -0.76 0.00 0.00 0.00 175.10 175.80 1hqs s LEU 14 N 1.21 4.46 -0.55 3.92 1.02 -1.26 -1.35 118.68 126.14 1hqs s LEU 14 Ca 0.18 2.25 -0.09 0.00 0.02 0.00 0.00 54.13 56.49 1hqs s LEU 14 Cb -0.14 -3.61 0.14 0.00 0.02 0.00 0.00 46.19 42.59 1hqs s LEU 14 CO 0.07 -0.35 0.42 0.20 0.02 0.00 0.00 176.35 176.71 1hqs s ASN 15 N -0.01 5.79 -0.31 2.29 0.02 0.35 -4.96 114.94 118.12 1hqs s ASN 15 Ca 0.52 -2.16 -0.10 0.00 -1.02 0.00 0.00 52.86 50.09 1hqs s ASN 15 Cb -0.33 -2.02 -0.01 0.00 0.02 0.00 0.00 41.25 38.91 1hqs s ASN 15 CO 0.38 -0.63 0.17 -0.69 0.02 0.00 0.00 177.10 176.34 1hqs s VAL 16 N 0.99 4.80 0.99 1.60 1.01 -1.26 -1.89 120.40 126.63 1hqs s VAL 16 Ca 0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1hqs s VAL 16 Cb -0.23 -3.42 0.18 0.00 0.00 0.00 0.00 36.38 32.91 1hqs s VAL 16 CO -0.02 0.09 1.11 -2.16 0.00 0.00 0.00 175.10 174.12 1hqs s PRO 17 N 1.65 0.52 0.45 2.72 0.04 -1.26 -4.94 135.00 134.18 1hqs s PRO 17 Ca 0.05 0.37 0.27 0.00 0.04 0.00 0.00 61.00 61.74 1hqs s PRO 17 Cb -0.17 -1.76 0.75 0.00 0.04 0.00 0.00 34.50 33.36 1hqs s PRO 17 CO 0.07 -2.64 1.75 -0.91 0.04 0.00 0.00 177.00 175.32 1hqs h ASN 18 N -1.82 0.00 -2.23 6.66 2.35 -1.92 -3.31 115.58 115.30 1hqs h ASN 18 Ca -0.53 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.65 1hqs h ASN 18 Cb 1.33 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 39.28 1hqs h ASN 18 CO 0.58 0.00 -0.74 -0.46 -1.65 0.00 0.00 177.43 175.16 1hqs n ASN 19 N -3.00 3.77 -4.77 5.81 6.94 -1.26 -0.79 115.26 121.96 1hqs n ASN 19 Ca 0.03 -3.55 -0.38 0.00 -0.02 0.00 0.00 54.58 50.66 1hqs n ASN 19 Cb 0.43 -0.58 -0.02 0.00 -2.36 0.00 0.00 39.78 37.26 1hqs n ASN 19 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1hqs s PRO 20 N -3.22 4.04 -0.23 -0.53 0.04 -1.23 -0.10 135.00 133.78 1hqs s PRO 20 Ca 0.47 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 1hqs s PRO 20 Cb 0.28 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1hqs s PRO 20 CO -0.12 -0.34 0.52 0.42 0.04 0.00 0.00 177.00 177.51 1hqs s ILE 21 N -1.40 5.09 -0.27 0.56 1.01 -0.56 -1.30 121.20 124.32 1hqs s ILE 21 Ca 0.57 0.92 0.02 0.00 0.00 0.00 0.00 60.65 62.16 1hqs s ILE 21 Cb -0.31 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.38 1hqs s ILE 21 CO 0.40 0.13 -0.08 -0.63 0.00 0.00 0.00 174.94 174.75 1hqs s ILE 22 N 1.97 2.36 0.65 2.92 -1.09 0.35 -4.69 121.20 123.67 1hqs s ILE 22 Ca 0.23 -1.58 -0.17 0.00 -2.23 0.00 0.00 60.65 56.90 1hqs s ILE 22 Cb -0.15 -2.38 -0.00 0.00 -1.58 0.00 0.00 42.46 38.34 1hqs s ILE 22 CO 0.09 -0.05 1.18 -2.84 -1.23 0.00 0.00 174.94 172.10 1hqs s PRO 23 N 1.14 2.65 -0.02 2.79 0.02 -1.24 -1.70 135.00 138.64 1hqs s PRO 23 Ca -0.08 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 62.55 1hqs s PRO 23 Cb -0.20 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.43 1hqs s PRO 23 CO -0.04 -1.42 0.20 -0.59 -0.33 0.00 0.00 177.00 174.82 1hqs s PHE 24 N -1.90 -0.09 -0.19 6.54 -0.12 -0.45 -1.97 117.98 119.80 1hqs s PHE 24 Ca 0.74 0.16 -0.01 0.00 -0.05 0.00 0.00 56.93 57.76 1hqs s PHE 24 Cb -0.27 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.14 1hqs s PHE 24 CO 0.39 -0.27 -0.12 0.42 -0.05 0.00 0.00 175.22 175.59 1hqs s ILE 25 N -0.98 2.76 0.27 -4.49 1.01 -0.39 -1.33 121.20 118.06 1hqs s ILE 25 Ca -0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1hqs s ILE 25 Cb -0.05 -2.21 0.19 0.00 0.01 0.00 0.00 42.46 40.40 1hqs s ILE 25 CO 0.02 0.48 1.87 -0.33 0.00 0.00 0.00 174.94 176.98 1hqs h GLU 26 N 7.91 0.99 0.00 2.79 5.08 -1.87 -0.42 114.58 129.06 1hqs h GLU 26 Ca -0.42 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1hqs h GLU 26 Cb 1.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1hqs h GLU 26 CO 0.61 0.78 0.00 0.41 -1.00 0.00 0.00 179.01 179.81 1hqs n GLY 27 N -1.06 0.68 4.00 -3.84 0.00 -1.26 -3.76 105.19 99.95 1hqs n GLY 27 Ca 0.06 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 1hqs n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hqs s ASP 28 N -1.26 4.93 2.00 1.61 -0.00 0.32 -4.14 116.67 120.11 1hqs s ASP 28 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 52.55 52.17 1hqs s ASP 28 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 42.92 42.67 1hqs s ASP 28 CO 0.00 -1.42 0.00 0.61 -0.00 0.00 0.00 175.17 174.36 1hqs n GLY 29 N -2.45 2.95 0.00 0.21 0.00 -1.26 -1.12 105.19 103.51 1hqs n GLY 29 Ca 0.12 0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.57 1hqs n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hqs n THR 30 N 0.00 0.02 -0.18 2.61 -2.24 -0.22 -4.36 114.28 109.92 1hqs n THR 30 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1hqs n THR 30 Cb 0.00 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 1hqs n THR 30 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1hqs h GLY 31 N 4.87 -0.46 0.49 3.38 0.00 -1.32 -1.72 103.07 108.30 1hqs h GLY 31 Ca 0.00 0.55 0.11 0.00 0.00 0.00 0.00 47.33 47.99 1hqs h GLY 31 CO 0.00 -0.17 0.61 -2.55 0.00 0.00 0.00 176.54 174.42 1hqs h PRO 32 N -0.25 0.94 -0.22 4.80 0.11 -1.72 0.20 132.00 135.86 1hqs h PRO 32 Ca 0.17 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1hqs h PRO 32 Cb 0.57 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1hqs h PRO 32 CO -0.65 0.62 0.04 -0.44 -0.21 0.00 0.00 178.00 177.37 1hqs h ASP 33 N 0.97 0.34 -0.44 -2.05 3.45 -1.70 -2.32 116.42 114.67 1hqs h ASP 33 Ca 0.48 -0.25 -0.03 0.00 0.43 0.00 0.00 57.03 57.66 1hqs h ASP 33 Cb 0.45 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 1hqs h ASP 33 CO -0.26 0.50 0.18 0.40 -1.57 0.00 0.00 179.24 178.49 1hqs h ILE 34 N 0.16 1.20 -0.91 0.35 2.04 -0.79 -3.10 117.51 116.47 1hqs h ILE 34 Ca 0.07 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1hqs h ILE 34 Cb 0.30 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1hqs h ILE 34 CO 0.00 0.23 0.60 -0.25 0.00 0.00 0.00 178.15 178.73 1hqs h TRP 35 N 0.58 1.12 -0.71 1.37 2.91 -0.52 0.13 115.95 120.83 1hqs h TRP 35 Ca 0.15 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.22 1hqs h TRP 35 Cb 0.19 -0.37 -0.04 0.00 -0.51 0.00 0.00 29.16 28.42 1hqs h TRP 35 CO 0.00 0.66 0.45 -0.97 -1.03 0.00 0.00 178.44 177.55 1hqs h ASN 36 N 1.17 0.74 -0.01 2.65 -1.24 -1.35 -0.71 115.58 116.83 1hqs h ASN 36 Ca 0.36 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.32 1hqs h ASN 36 Cb -0.03 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.86 1hqs h ASN 36 CO -0.11 0.52 -0.18 0.00 -1.29 0.00 0.00 177.43 176.37 1hqs h ALA 37 N 1.30 0.04 -0.06 1.57 0.00 -1.36 -3.27 119.26 117.48 1hqs h ALA 37 Ca 0.28 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1hqs h ALA 37 Cb 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1hqs h ALA 37 CO -0.10 0.03 0.04 0.00 0.00 0.00 0.00 179.25 179.21 1hqs h ALA 38 N 0.30 0.08 -0.72 0.00 0.00 -0.67 -2.05 119.26 116.20 1hqs h ALA 38 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1hqs h ALA 38 Cb 0.90 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1hqs h ALA 38 CO 0.04 -0.39 0.33 0.66 0.00 0.00 0.00 179.25 179.89 1hqs h SER 39 N 0.03 0.40 -0.47 0.00 4.64 -1.29 -0.84 113.55 116.01 1hqs h SER 39 Ca 0.02 0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1hqs h SER 39 Cb 0.06 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1hqs h SER 39 CO -0.00 0.21 0.06 0.11 -0.87 0.00 0.00 176.83 176.33 1hqs h LYS 40 N 0.54 0.80 -0.21 4.77 1.79 -1.58 -0.75 116.57 121.93 1hqs h LYS 40 Ca 0.37 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1hqs h LYS 40 Cb 0.44 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1hqs h LYS 40 CO -0.31 0.81 0.12 0.28 -1.08 0.00 0.00 179.45 179.28 1hqs h VAL 41 N 0.66 1.10 -0.76 0.50 2.07 -0.72 0.15 116.25 119.24 1hqs h VAL 41 Ca 0.14 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1hqs h VAL 41 Cb 0.42 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1hqs h VAL 41 CO 0.01 0.09 0.38 -0.07 0.02 0.00 0.00 177.57 178.01 1hqs h LEU 42 N 0.25 0.99 -0.45 2.57 3.38 -1.06 -1.78 115.31 119.19 1hqs h LEU 42 Ca 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1hqs h LEU 42 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1hqs h LEU 42 CO -0.01 0.83 0.22 -0.33 0.09 0.00 0.00 178.44 179.23 1hqs h GLU 43 N 1.07 0.65 -0.67 1.13 5.08 -0.77 -2.18 114.58 118.89 1hqs h GLU 43 Ca 0.26 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1hqs h GLU 43 Cb 0.09 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1hqs h GLU 43 CO -0.04 0.56 0.43 0.00 -1.00 0.00 0.00 179.01 178.96 1hqs h ALA 44 N 1.06 0.87 -0.85 3.43 0.00 -0.54 -1.43 119.26 121.79 1hqs h ALA 44 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1hqs h ALA 44 Cb 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1hqs h ALA 44 CO -0.02 0.23 0.41 0.00 0.00 0.00 0.00 179.25 179.87 1hqs h ALA 45 N 1.27 1.11 -0.18 0.00 0.00 -1.09 -0.76 119.26 119.60 1hqs h ALA 45 Ca 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1hqs h ALA 45 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1hqs h ALA 45 CO -0.08 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.13 1hqs h VAL 46 N 1.22 1.24 -0.54 0.00 2.07 -0.88 -1.21 116.25 118.15 1hqs h VAL 46 Ca 0.29 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1hqs h VAL 46 Cb 0.12 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1hqs h VAL 46 CO -0.04 0.24 -0.09 -0.08 0.02 0.00 0.00 177.57 177.62 1hqs h GLU 47 N 0.08 1.02 -0.40 1.57 4.57 -1.11 -2.03 114.58 118.27 1hqs h GLU 47 Ca 0.05 -0.37 -0.14 0.00 -1.18 0.00 0.00 59.36 57.71 1hqs h GLU 47 Cb 0.35 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1hqs h GLU 47 CO 0.01 1.06 -0.31 0.87 -1.18 0.00 0.00 179.01 179.46 1hqs h LYS 48 N 0.90 0.92 -0.14 1.92 1.57 -1.15 -0.93 116.57 119.66 1hqs h LYS 48 Ca 0.14 -0.45 -0.20 0.00 -1.87 0.00 0.00 60.65 58.27 1hqs h LYS 48 Cb 0.66 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1hqs h LYS 48 CO 0.05 1.11 -0.72 0.00 -0.57 0.00 0.00 179.45 179.31 1hqs h ALA 49 N 0.80 0.47 -0.31 3.86 0.00 -1.21 -3.32 119.26 119.53 1hqs h ALA 49 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1hqs h ALA 49 Cb 0.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1hqs h ALA 49 CO 0.08 0.71 0.00 0.66 0.00 0.00 0.00 179.25 180.71 1hqs n TYR 50 N -3.90 0.89 -4.34 0.00 4.01 -0.77 -4.95 117.16 108.09 1hqs n TYR 50 Ca -0.06 -0.76 -0.37 0.00 -0.16 0.00 0.00 57.90 56.56 1hqs n TYR 50 Cb 0.71 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.44 1hqs n TYR 50 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1hqs n LYS 51 N -0.12 -1.77 -0.06 -0.72 4.01 -0.37 -0.58 118.16 118.55 1hqs n LYS 51 Ca 0.19 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 58.22 1hqs n LYS 51 Cb 0.78 -4.59 0.00 0.00 -0.51 0.00 0.00 35.03 30.71 1hqs n LYS 51 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hqs n GLY 52 N -1.56 1.95 0.21 0.72 0.00 -1.15 -4.91 105.19 100.45 1hqs n GLY 52 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1hqs n GLY 52 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hqs h GLU 53 N 2.72 0.00 -6.38 1.61 5.08 -1.18 -3.44 114.58 113.00 1hqs h GLU 53 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1hqs h GLU 53 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 1hqs h GLU 53 CO 0.00 0.24 -0.79 0.15 -1.00 0.00 0.00 179.01 177.62 1hqs s LYS 54 N -4.45 1.61 -0.28 2.33 1.02 -1.26 -4.80 119.74 113.91 1hqs s LYS 54 Ca -0.03 -1.67 -0.24 0.00 0.02 0.00 0.00 55.97 54.05 1hqs s LYS 54 Cb 0.15 -1.80 0.12 0.00 -0.52 0.00 0.00 37.83 35.78 1hqs s LYS 54 CO 0.70 0.36 0.97 0.21 -0.92 0.00 0.00 175.35 176.67 1hqs s LYS 55 N -3.16 0.54 -0.03 1.68 2.20 0.03 -4.59 119.74 116.40 1hqs s LYS 55 Ca 0.26 0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 56.42 1hqs s LYS 55 Cb -0.06 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 1hqs s LYS 55 CO 0.13 -0.07 0.35 0.42 -0.36 0.00 0.00 175.35 175.82 1hqs s ILE 56 N 0.44 5.14 -0.30 5.43 1.01 -1.26 -3.47 121.20 128.19 1hqs s ILE 56 Ca 0.01 0.70 -0.03 0.00 0.00 0.00 0.00 60.65 61.32 1hqs s ILE 56 Cb -0.05 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1hqs s ILE 56 CO -0.07 0.59 0.02 -0.89 0.00 0.00 0.00 174.94 174.59 1hqs s THR 57 N -1.07 3.28 0.43 2.92 2.01 -0.42 -5.00 115.64 117.79 1hqs s THR 57 Ca 0.22 -1.17 -0.21 0.00 0.31 0.00 0.00 61.69 60.84 1hqs s THR 57 Cb -0.16 -2.81 -0.10 0.00 0.01 0.00 0.00 72.50 69.44 1hqs s THR 57 CO 0.11 -0.04 0.97 0.26 -0.69 0.00 0.00 174.62 175.23 1hqs s TRP 58 N 1.33 3.27 -0.22 4.92 0.52 -1.26 -0.50 118.94 127.00 1hqs s TRP 58 Ca -0.02 1.61 -0.04 0.00 0.02 0.00 0.00 56.10 57.67 1hqs s TRP 58 Cb -0.19 -2.90 0.07 0.00 -1.15 0.00 0.00 33.47 29.31 1hqs s TRP 58 CO -0.00 -0.25 0.09 0.21 0.02 0.00 0.00 176.95 177.02 1hqs s LYS 59 N -3.12 0.32 0.16 4.98 2.20 -0.69 -4.84 119.74 118.76 1hqs s LYS 59 Ca 0.62 -0.40 -0.31 0.00 -0.36 0.00 0.00 55.97 55.53 1hqs s LYS 59 Cb -0.11 -1.75 -0.08 0.00 -1.51 0.00 0.00 37.83 34.38 1hqs s LYS 59 CO 0.15 -0.79 1.37 -2.00 -0.36 0.00 0.00 175.35 173.72 1hqs s GLU 60 N 2.00 4.34 0.16 4.03 2.12 -1.26 -1.34 118.70 128.75 1hqs s GLU 60 Ca 0.04 2.09 0.07 0.00 0.36 0.00 0.00 54.97 57.53 1hqs s GLU 60 Cb -0.16 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1hqs s GLU 60 CO -0.18 -0.37 -0.15 0.14 -0.54 0.00 0.00 175.26 174.17 1hqs s VAL 61 N 0.60 1.56 0.07 3.70 -7.23 -0.44 -4.88 120.40 113.78 1hqs s VAL 61 Ca 0.61 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.85 1hqs s VAL 61 Cb -0.37 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1hqs s VAL 61 CO 0.35 -0.51 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.24 1hqs s TYR 62 N -2.59 2.80 -0.10 2.82 2.02 -1.26 -4.31 117.35 116.73 1hqs s TYR 62 Ca 0.16 -0.12 -0.30 0.00 -0.37 0.00 0.00 57.07 56.44 1hqs s TYR 62 Cb -0.03 -1.49 0.09 0.00 -0.40 0.00 0.00 41.96 40.14 1hqs s TYR 62 CO 0.05 0.41 0.80 0.00 -1.57 0.00 0.00 175.55 175.24 1hqs s ALA 63 N -1.16 -1.83 0.00 3.71 0.00 -1.26 -4.35 121.76 116.86 1hqs s ALA 63 Ca 0.21 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1hqs s ALA 63 Cb -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1hqs s ALA 63 CO 0.12 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1hqs n GLY 64 N 0.92 -0.58 0.21 0.00 0.00 0.78 -3.98 105.19 102.55 1hqs n GLY 64 Ca -0.16 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 1hqs n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hqs h GLU 65 N 0.00 -0.06 -0.93 1.61 4.39 -1.95 -0.50 114.58 117.14 1hqs h GLU 65 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.78 1hqs h GLU 65 Cb 0.00 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 1hqs h GLU 65 CO 0.00 -0.04 0.59 -0.22 -1.16 0.00 0.00 179.01 178.18 1hqs h LYS 66 N -0.06 1.01 -0.32 2.33 3.64 -1.92 -0.77 116.57 120.48 1hqs h LYS 66 Ca 0.20 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.37 1hqs h LYS 66 Cb 0.37 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1hqs h LYS 66 CO -0.46 0.67 -0.40 0.00 -2.27 0.00 0.00 179.45 176.99 1hqs h ALA 67 N 1.45 0.48 -0.22 5.00 0.00 -1.50 -1.44 119.26 123.03 1hqs h ALA 67 Ca 0.42 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hqs h ALA 67 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1hqs h ALA 67 CO -0.19 0.58 0.13 -0.92 0.00 0.00 0.00 179.25 178.85 1hqs h TYR 68 N 0.61 0.30 -0.18 0.00 3.20 -0.36 0.25 116.97 120.79 1hqs h TYR 68 Ca 0.04 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1hqs h TYR 68 Cb 0.99 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1hqs h TYR 68 CO 0.07 0.24 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.76 1hqs h ASN 69 N 0.26 0.28 0.44 -2.11 2.35 -1.15 0.43 115.58 116.08 1hqs h ASN 69 Ca 0.08 -0.07 -0.30 0.00 -0.55 0.00 0.00 56.30 55.46 1hqs h ASN 69 Cb 0.04 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 1hqs h ASN 69 CO -0.01 0.47 -1.70 0.50 -1.65 0.00 0.00 177.43 175.03 1hqs h LYS 70 N 0.27 0.09 0.00 0.81 3.64 -1.03 -3.42 116.57 116.94 1hqs h LYS 70 Ca 0.05 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1hqs h LYS 70 Cb 0.46 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1hqs h LYS 70 CO 0.03 0.76 0.00 0.25 -2.27 0.00 0.00 179.45 178.22 1hqs n THR 71 N -3.21 0.00 -0.91 1.00 -2.24 0.87 -5.01 114.28 104.79 1hqs n THR 71 Ca -0.19 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1hqs n THR 71 Cb 1.04 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 1hqs n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqs n GLY 72 N 0.44 0.71 3.19 3.38 0.00 0.15 -4.99 105.19 108.07 1hqs n GLY 72 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1hqs n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hqs s GLU 73 N -0.09 1.38 0.15 1.61 2.02 -1.25 -4.92 118.70 117.60 1hqs s GLU 73 Ca 0.00 -0.74 0.08 0.00 0.02 0.00 0.00 54.97 54.33 1hqs s GLU 73 Cb 0.00 -1.39 -0.12 0.00 0.10 0.00 0.00 34.13 32.73 1hqs s GLU 73 CO 0.00 0.37 1.33 -1.49 0.02 0.00 0.00 175.26 175.49 1hqs h TRP 74 N 5.38 0.00 -2.25 1.61 4.06 -1.84 -2.06 115.95 120.85 1hqs h TRP 74 Ca -0.39 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.03 1hqs h TRP 74 Cb 1.15 0.00 -0.36 0.00 -1.00 0.00 0.00 29.16 28.96 1hqs h TRP 74 CO 0.44 0.92 -0.89 -1.17 -3.56 0.00 0.00 178.44 174.18 1hqs s LEU 75 N -6.80 0.93 0.39 -4.49 0.20 -1.26 -0.15 118.68 107.50 1hqs s LEU 75 Ca 0.01 -2.66 -0.26 0.00 0.69 0.00 0.00 54.13 51.91 1hqs s LEU 75 Cb 0.10 -0.13 -0.11 0.00 -0.43 0.00 0.00 46.19 45.62 1hqs s LEU 75 CO 0.81 -0.19 1.14 -2.65 -0.29 0.00 0.00 176.35 175.16 1hqs n PRO 76 N 3.20 1.66 -0.06 0.98 -0.02 -1.26 -4.86 135.00 134.64 1hqs n PRO 76 Ca 0.24 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.39 1hqs n PRO 76 Cb 0.46 -2.17 0.46 0.00 -0.02 0.00 0.00 33.50 32.23 1hqs n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hqs h ALA 77 N 1.95 1.86 -0.93 3.55 0.00 -1.99 -1.29 119.26 122.40 1hqs h ALA 77 Ca -0.45 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.50 1hqs h ALA 77 Cb 1.32 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1hqs h ALA 77 CO 0.59 0.05 0.61 1.49 0.00 0.00 0.00 179.25 181.99 1hqs h GLU 78 N 0.50 1.05 -0.31 0.00 4.57 -1.98 -0.31 114.58 118.10 1hqs h GLU 78 Ca 0.23 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1hqs h GLU 78 Cb 0.27 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1hqs h GLU 78 CO -0.06 0.69 0.07 1.15 -1.18 0.00 0.00 179.01 179.68 1hqs h THR 79 N 1.08 1.22 -0.67 0.32 2.02 -1.53 -0.88 112.91 114.48 1hqs h THR 79 Ca 0.40 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 1hqs h THR 79 Cb 0.17 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1hqs h THR 79 CO -0.15 0.25 0.09 -0.07 0.37 0.00 0.00 175.52 176.01 1hqs h LEU 80 N 0.33 1.08 -0.62 2.58 3.38 -1.43 -1.52 115.31 119.11 1hqs h LEU 80 Ca 0.10 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1hqs h LEU 80 Cb 0.31 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1hqs h LEU 80 CO 0.00 1.08 0.18 0.44 0.09 0.00 0.00 178.44 180.23 1hqs h ASP 81 N 1.04 0.92 -0.50 -0.43 3.32 -0.92 -0.83 116.42 119.03 1hqs h ASP 81 Ca 0.20 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1hqs h ASP 81 Cb 0.47 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1hqs h ASP 81 CO 0.02 0.89 0.13 0.58 -1.72 0.00 0.00 179.24 179.13 1hqs h VAL 82 N 0.90 1.24 -0.49 -1.35 2.07 -0.97 -0.77 116.25 116.88 1hqs h VAL 82 Ca 0.20 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1hqs h VAL 82 Cb 0.31 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1hqs h VAL 82 CO -0.00 0.30 -0.06 0.40 0.02 0.00 0.00 177.57 178.22 1hqs h ILE 83 N 0.69 1.26 -0.79 4.57 2.04 -1.07 -0.16 117.51 124.04 1hqs h ILE 83 Ca 0.16 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1hqs h ILE 83 Cb 0.33 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1hqs h ILE 83 CO 0.00 0.40 0.40 0.03 0.00 0.00 0.00 178.15 178.98 1hqs h ARG 84 N 0.78 1.12 0.08 2.37 3.08 -0.89 0.11 114.38 121.03 1hqs h ARG 84 Ca 0.14 -0.15 -0.29 0.00 0.07 0.00 0.00 59.98 59.75 1hqs h ARG 84 Cb 0.56 -0.21 0.03 0.00 0.08 0.00 0.00 29.97 30.43 1hqs h ARG 84 CO 0.03 0.85 -1.18 1.49 -1.07 0.00 0.00 179.97 180.09 1hqs h GLU 85 N 1.10 0.64 -0.01 0.04 4.81 -0.83 -3.33 114.58 116.99 1hqs h GLU 85 Ca 0.27 -0.79 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1hqs h GLU 85 Cb 0.08 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1hqs h GLU 85 CO -0.04 1.35 -0.29 0.66 -0.73 0.00 0.00 179.01 179.96 1hqs n TYR 86 N -3.80 0.00 0.00 0.92 4.01 -0.10 -4.89 117.16 113.30 1hqs n TYR 86 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1hqs n TYR 86 Cb 0.95 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1hqs n TYR 86 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hqs n PHE 87 N -0.25 0.00 -4.38 -0.72 3.01 0.02 -4.53 117.46 110.61 1hqs n PHE 87 Ca 0.12 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.25 1hqs n PHE 87 Cb 0.40 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.72 1hqs n PHE 87 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1hqs s ILE 88 N 0.00 2.73 0.10 4.37 -1.09 -1.26 -0.96 121.20 125.09 1hqs s ILE 88 Ca 0.00 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.70 1hqs s ILE 88 Cb 0.00 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 1hqs s ILE 88 CO 0.00 0.50 -0.07 0.00 -1.23 0.00 0.00 174.94 174.14 1hqs s ALA 89 N 0.96 0.97 -0.01 9.38 0.00 -0.53 -3.59 121.76 128.95 1hqs s ALA 89 Ca -0.02 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1hqs s ALA 89 Cb -0.15 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1hqs s ALA 89 CO -0.02 -0.21 -0.16 -1.50 0.00 0.00 0.00 175.76 173.87 1hqs s ILE 90 N -3.40 1.28 -0.00 0.00 2.07 -0.83 -0.72 121.20 119.59 1hqs s ILE 90 Ca 0.10 -0.71 -0.03 0.00 -1.41 0.00 0.00 60.65 58.61 1hqs s ILE 90 Cb 0.04 -1.07 -0.00 0.00 0.13 0.00 0.00 42.46 41.56 1hqs s ILE 90 CO -0.04 0.35 0.05 -1.59 -1.91 0.00 0.00 174.94 171.80 1hqs s LYS 91 N -0.42 0.26 0.30 3.50 -2.85 0.54 -1.27 119.74 119.81 1hqs s LYS 91 Ca 0.06 -0.28 -0.03 0.00 -1.00 0.00 0.00 55.97 54.72 1hqs s LYS 91 Cb -0.06 0.11 0.06 0.00 -2.06 0.00 0.00 37.83 35.88 1hqs s LYS 91 CO -0.01 -0.05 0.41 0.41 0.10 0.00 0.00 175.35 176.21 1hqs n GLY 92 N 2.13 -0.23 3.77 0.59 0.00 -0.17 -1.52 105.19 109.76 1hqs n GLY 92 Ca -0.19 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1hqs n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hqs s PRO 93 N -3.67 4.21 0.28 1.61 0.04 -1.26 -4.50 135.00 131.71 1hqs s PRO 93 Ca 0.25 2.32 0.09 0.00 0.04 0.00 0.00 61.00 63.71 1hqs s PRO 93 Cb -0.01 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 1hqs s PRO 93 CO 0.17 -0.35 -0.13 -0.51 0.04 0.00 0.00 177.00 176.22 1hqs s LEU 94 N -2.00 2.60 0.00 -3.56 1.43 -1.26 0.12 118.68 116.01 1hqs s LEU 94 Ca 0.51 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1hqs s LEU 94 Cb -0.42 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1hqs s LEU 94 CO 0.56 -0.15 0.00 0.35 0.23 0.00 0.00 176.35 177.33 1hqs n THR 95 N -0.62 0.00 -2.11 5.49 -2.24 -1.26 -4.80 114.28 108.75 1hqs n THR 95 Ca -0.06 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1hqs n THR 95 Cb 0.62 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 1hqs n THR 95 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1hqs s THR 96 N 0.00 2.74 0.13 4.28 -1.32 -1.26 -5.04 115.64 115.17 1hqs s THR 96 Ca 0.00 0.71 -0.07 0.00 -1.21 0.00 0.00 61.69 61.12 1hqs s THR 96 Cb 0.00 -3.45 0.03 0.00 -1.51 0.00 0.00 72.50 67.56 1hqs s THR 96 CO 0.00 0.16 0.38 -0.81 -2.21 0.00 0.00 174.62 172.13 1hqs n PRO 97 N 1.16 0.39 -4.22 7.08 -0.04 -1.26 -4.51 135.00 133.60 1hqs n PRO 97 Ca 0.01 -0.79 -0.28 0.00 -0.04 0.00 0.00 63.50 62.40 1hqs n PRO 97 Cb 0.42 1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 34.81 1hqs n PRO 97 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hqs s VAL 98 N -2.51 3.54 0.00 0.52 1.01 -1.26 -4.72 120.40 116.98 1hqs s VAL 98 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1hqs s VAL 98 Cb -0.02 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1hqs s VAL 98 CO 0.04 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1hqs n GLY 99 N 0.28 0.20 0.00 4.51 0.00 -1.26 -4.75 105.19 104.17 1hqs n GLY 99 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1hqs n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqs n GLY 100 N -1.89 1.57 7.00 -0.02 0.00 -1.26 -5.17 105.19 105.42 1hqs n GLY 100 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1hqs n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqs n GLY 101 N 0.00 -1.75 3.80 -0.02 0.00 -1.26 -4.53 105.19 101.43 1hqs n GLY 101 Ca 0.00 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1hqs n GLY 101 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hqs s ILE 102 N 0.00 3.78 0.51 -0.61 -5.25 -1.26 -5.01 121.20 113.37 1hqs s ILE 102 Ca 0.00 0.63 -0.19 0.00 -0.99 0.00 0.00 60.65 60.11 1hqs s ILE 102 Cb 0.00 -3.26 -0.07 0.00 2.95 0.00 0.00 42.46 42.07 1hqs s ILE 102 CO 0.00 -0.70 1.03 -0.13 -1.79 0.00 0.00 174.94 173.35 1hqs s ARG 103 N -4.80 3.72 -0.13 0.37 0.52 -1.26 -4.46 118.95 112.91 1hqs s ARG 103 Ca 0.60 1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 56.76 1hqs s ARG 103 Cb -0.15 -2.09 -0.14 0.00 0.52 0.00 0.00 34.95 33.09 1hqs s ARG 103 CO 0.52 -0.48 0.88 0.45 0.02 0.00 0.00 175.30 176.68 1hqs n SER 104 N -1.32 0.30 0.06 0.23 2.88 -1.26 -4.86 113.62 109.66 1hqs n SER 104 Ca 0.09 0.82 -0.05 0.00 -1.33 0.00 0.00 58.87 58.39 1hqs n SER 104 Cb 0.53 -0.63 0.15 0.00 -0.75 0.00 0.00 64.21 63.50 1hqs n SER 104 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1hqs h LEU 105 N 2.60 0.36 -0.47 2.46 3.38 -1.91 -1.53 115.31 120.21 1hqs h LEU 105 Ca -0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1hqs h LEU 105 Cb 0.98 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1hqs h LEU 105 CO 0.54 0.80 0.26 0.78 0.09 0.00 0.00 178.44 180.91 1hqs h ASN 106 N 0.27 0.58 -0.12 -0.43 2.35 -1.93 -2.14 115.58 114.15 1hqs h ASN 106 Ca 0.01 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.54 1hqs h ASN 106 Cb 0.97 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1hqs h ASN 106 CO 0.08 0.49 -0.40 0.58 -1.65 0.00 0.00 177.43 176.53 1hqs h VAL 107 N 0.61 1.29 -0.63 2.81 2.07 -1.90 -2.66 116.25 117.84 1hqs h VAL 107 Ca 0.16 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.15 1hqs h VAL 107 Cb 0.04 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1hqs h VAL 107 CO -0.03 0.50 0.36 0.00 0.02 0.00 0.00 177.57 178.43 1hqs h ALA 108 N 1.02 0.83 -0.36 1.67 0.00 -1.00 0.30 119.26 121.72 1hqs h ALA 108 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1hqs h ALA 108 Cb 0.93 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1hqs h ALA 108 CO 0.08 0.06 0.17 -0.07 0.00 0.00 0.00 179.25 179.49 1hqs h LEU 109 N 0.69 0.48 -0.44 0.00 3.38 -1.28 0.21 115.31 118.35 1hqs h LEU 109 Ca 0.27 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1hqs h LEU 109 Cb 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1hqs h LEU 109 CO -0.15 0.49 0.27 0.03 0.09 0.00 0.00 178.44 179.17 1hqs h ARG 110 N 0.45 0.59 -0.02 1.13 3.08 -1.02 -2.35 114.38 116.23 1hqs h ARG 110 Ca 0.12 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1hqs h ARG 110 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1hqs h ARG 110 CO -0.01 0.43 -0.11 1.96 -1.07 0.00 0.00 179.97 181.17 1hqs h GLN 111 N 0.59 0.11 0.00 0.04 4.20 -0.85 0.08 115.11 119.28 1hqs h GLN 111 Ca 0.16 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1hqs h GLN 111 Cb -0.02 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1hqs h GLN 111 CO -0.03 0.74 -0.13 0.93 -0.67 0.00 0.00 178.83 179.67 1hqs h GLU 112 N -0.49 0.00 -0.11 1.46 5.08 -1.00 -1.49 114.58 118.03 1hqs h GLU 112 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1hqs h GLU 112 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1hqs h GLU 112 CO 0.02 0.13 0.00 1.28 -1.00 0.00 0.00 179.01 179.45 1hqs n LEU 113 N -4.20 2.97 -3.88 1.33 4.77 -0.89 -4.99 117.00 112.12 1hqs n LEU 113 Ca -0.02 -1.13 -0.27 0.00 -0.03 0.00 0.00 56.01 54.55 1hqs n LEU 113 Cb 0.21 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1hqs n LEU 113 CO 0.34 0.54 -0.01 -0.67 -1.33 0.00 0.00 177.39 176.27 1hqs n ASP 114 N 1.28 -2.90 -4.39 -1.43 2.03 -0.49 -4.85 116.55 105.81 1hqs n ASP 114 Ca 0.14 -0.84 -0.43 0.00 0.52 0.00 0.00 54.79 54.18 1hqs n ASP 114 Cb 0.56 -3.73 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 1hqs n ASP 114 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1hqs n LEU 115 N -4.49 5.40 0.25 -2.67 4.77 -0.10 -4.54 117.00 115.61 1hqs n LEU 115 Ca -0.11 -4.21 0.17 0.00 -0.03 0.00 0.00 56.01 51.82 1hqs n LEU 115 Cb 0.59 -1.67 0.88 0.00 -2.33 0.00 0.00 43.42 40.90 1hqs n LEU 115 CO 0.74 0.58 1.01 2.19 -1.33 0.00 0.00 177.39 180.58 1hqs h PHE 116 N 7.08 0.00 -3.51 -1.77 -5.15 -1.81 -3.39 116.94 108.39 1hqs h PHE 116 Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 1hqs h PHE 116 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.00 1hqs h PHE 116 CO 1.29 0.00 0.00 0.28 -2.00 0.00 0.00 178.31 177.88 1hqs n VAL 117 N -2.73 0.00 -3.30 0.88 0.31 -0.49 -0.61 118.33 112.39 1hqs n VAL 117 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 1hqs n VAL 117 Cb 0.10 -0.42 -0.04 0.00 -0.91 0.00 0.00 33.84 32.57 1hqs n VAL 117 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1hqs s LEU 119 N 0.00 -0.37 -0.44 7.52 2.96 0.64 -0.41 118.68 128.57 1hqs s LEU 119 Ca 0.00 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1hqs s LEU 119 Cb 0.00 1.42 0.13 0.00 0.50 0.00 0.00 46.19 48.24 1hqs s LEU 119 CO 0.00 -0.07 0.22 -0.13 -1.32 0.00 0.00 176.35 175.05 1hqs s ARG 120 N 2.34 1.41 0.13 1.98 1.81 0.14 -1.89 118.95 124.88 1hqs s ARG 120 Ca -0.01 -2.07 -0.29 0.00 -1.72 0.00 0.00 55.73 51.64 1hqs s ARG 120 Cb -0.04 -2.59 -0.07 0.00 -0.45 0.00 0.00 34.95 31.80 1hqs s ARG 120 CO -0.16 -1.12 0.90 -1.25 -0.68 0.00 0.00 175.30 172.99 1hqs s PRO 121 N 0.34 4.68 -0.11 3.54 0.04 -1.26 -0.90 135.00 141.33 1hqs s PRO 121 Ca 0.16 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1hqs s PRO 121 Cb -0.24 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 30.98 1hqs s PRO 121 CO -0.02 0.33 -0.12 0.08 0.04 0.00 0.00 177.00 177.31 1hqs s VAL 122 N -0.38 1.31 0.21 -0.36 1.01 0.88 -4.62 120.40 118.44 1hqs s VAL 122 Ca 0.43 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1hqs s VAL 122 Cb -0.23 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1hqs s VAL 122 CO 0.29 0.41 0.25 0.00 0.00 0.00 0.00 175.10 176.04 1hqs s ARG 123 N 1.28 1.30 -0.11 2.72 1.70 -1.26 -1.11 118.95 123.46 1hqs s ARG 123 Ca -0.02 -1.47 -0.05 0.00 -0.47 0.00 0.00 55.73 53.72 1hqs s ARG 123 Cb -0.14 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1hqs s ARG 123 CO -0.05 -0.47 0.09 -0.47 -1.08 0.00 0.00 175.30 173.32 1hqs s TYR 124 N -4.10 3.43 -0.23 5.89 5.04 -1.25 -4.92 117.35 121.22 1hqs s TYR 124 Ca 0.32 0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 55.29 1hqs s TYR 124 Cb 0.04 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.44 1hqs s TYR 124 CO 0.10 0.63 0.01 -0.06 -1.34 0.00 0.00 175.55 174.88 1hqs s PHE 125 N -0.93 3.02 0.13 4.97 0.08 -1.26 -5.02 117.98 118.97 1hqs s PHE 125 Ca 0.14 -0.65 -0.35 0.00 0.12 0.00 0.00 56.93 56.20 1hqs s PHE 125 Cb -0.12 -2.16 -0.15 0.00 -0.57 0.00 0.00 43.02 40.03 1hqs s PHE 125 CO 0.03 -0.42 1.51 2.41 -0.10 0.00 0.00 175.22 178.65 1hqs n THR 126 N 4.76 0.01 0.00 0.64 -1.04 -1.26 -1.81 114.28 115.57 1hqs n THR 126 Ca -0.17 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1hqs n THR 126 Cb 0.51 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1hqs n THR 126 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqs n GLY 127 N 3.15 2.06 3.71 3.41 0.00 -1.26 -3.76 105.19 112.50 1hqs n GLY 127 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1hqs n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqs s VAL 128 N -2.26 2.82 0.19 1.61 1.01 -0.75 -4.95 120.40 118.06 1hqs s VAL 128 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1hqs s VAL 128 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 1hqs s VAL 128 CO 0.00 0.02 1.30 -2.84 0.00 0.00 0.00 175.10 173.58 1hqs s PRO 129 N 1.67 4.40 0.06 2.72 0.02 -1.26 -4.93 135.00 137.69 1hqs s PRO 129 Ca 0.71 2.03 0.05 0.00 0.02 0.00 0.00 61.00 63.80 1hqs s PRO 129 Cb -0.42 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 30.86 1hqs s PRO 129 CO 0.31 -0.25 -0.13 0.45 -0.33 0.00 0.00 177.00 177.05 1hqs s SER 130 N 0.40 1.52 0.00 2.53 0.15 -1.26 -4.32 113.70 112.72 1hqs s SER 130 Ca 0.57 -0.60 0.28 0.00 0.70 0.00 0.00 55.95 56.90 1hqs s SER 130 Cb -0.36 -0.03 1.14 0.00 -1.71 0.00 0.00 66.02 65.06 1hqs s SER 130 CO 0.37 -0.10 1.83 -0.81 1.20 0.00 0.00 173.24 175.74 1hqs n PRO 131 N 1.33 0.29 -4.18 5.44 -0.04 -1.26 -4.87 135.00 131.71 1hqs n PRO 131 Ca -0.21 -0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 62.94 1hqs n PRO 131 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1hqs n PRO 131 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1hqs s VAL 132 N -2.76 4.05 0.10 0.52 -7.23 -1.26 -5.05 120.40 108.77 1hqs s VAL 132 Ca 0.21 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 1hqs s VAL 132 Cb 0.19 -3.16 -0.07 0.00 0.56 0.00 0.00 36.38 33.90 1hqs s VAL 132 CO 0.53 -0.33 1.46 0.11 -0.31 0.00 0.00 175.10 176.56 1hqs h LYS 133 N 1.76 0.70 -2.18 4.82 1.57 -1.94 -3.38 116.57 117.92 1hqs h LYS 133 Ca -0.47 -0.33 -0.58 0.00 -1.87 0.00 0.00 60.65 57.40 1hqs h LYS 133 Cb 1.24 -0.01 -0.41 0.00 0.08 0.00 0.00 32.23 33.12 1hqs h LYS 133 CO 0.61 0.93 -0.71 0.54 -0.57 0.00 0.00 179.45 180.25 1hqs n ARG 134 N -4.32 2.41 0.28 3.15 1.74 -1.26 -4.89 116.66 113.77 1hqs n ARG 134 Ca -0.03 -4.47 0.14 0.00 -0.77 0.00 0.00 57.85 52.73 1hqs n ARG 134 Cb 0.42 -2.09 0.85 0.00 -1.02 0.00 0.00 32.46 30.62 1hqs n ARG 134 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1hqs h PRO 135 N 3.74 0.00 0.00 5.56 0.13 -1.85 -2.20 132.00 137.38 1hqs h PRO 135 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1hqs h PRO 135 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1hqs h PRO 135 CO 0.77 0.05 0.00 1.05 -0.23 0.00 0.00 178.00 179.64 1hqs h GLU 136 N 0.00 0.00 0.00 0.86 9.09 -1.95 -1.72 114.58 120.86 1hqs h GLU 136 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hqs h GLU 136 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1hqs h GLU 136 CO 0.01 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.82 1hqs n ASP 137 N -2.49 0.00 -4.61 3.06 8.00 -0.83 -4.74 116.55 114.95 1hqs n ASP 137 Ca -0.00 0.31 -0.39 0.00 0.71 0.00 0.00 54.79 55.42 1hqs n ASP 137 Cb 0.13 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 40.71 1hqs n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1hqs s THR 138 N -2.87 5.16 -0.36 -3.53 2.01 -0.65 -3.35 115.64 112.05 1hqs s THR 138 Ca 0.18 0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.85 1hqs s THR 138 Cb 0.19 -3.71 0.18 0.00 0.01 0.00 0.00 72.50 69.16 1hqs s THR 138 CO 0.49 0.15 0.57 -0.62 -0.69 0.00 0.00 174.62 174.53 1hqs s ASP 139 N 1.60 -1.11 0.12 3.53 3.68 -1.25 -3.78 116.67 119.46 1hqs s ASP 139 Ca 0.16 -0.55 0.01 0.00 2.13 0.00 0.00 52.55 54.30 1hqs s ASP 139 Cb -0.16 1.76 -0.04 0.00 -1.45 0.00 0.00 42.92 43.03 1hqs s ASP 139 CO 0.10 -0.23 -0.02 -0.04 0.13 0.00 0.00 175.17 175.10 1hqs s MET 140 N 2.15 0.92 -0.17 4.34 -1.94 -0.27 -4.58 119.30 119.76 1hqs s MET 140 Ca 0.14 -1.41 -0.01 0.00 -1.71 0.00 0.00 55.69 52.70 1hqs s MET 140 Cb -0.08 -0.13 0.04 0.00 2.01 0.00 0.00 34.83 36.68 1hqs s MET 140 CO -0.14 -0.10 -0.04 0.08 -0.01 0.00 0.00 175.02 174.81 1hqs s VAL 141 N -3.72 1.01 -0.19 -6.03 1.01 -0.55 -0.08 120.40 111.84 1hqs s VAL 141 Ca 0.17 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1hqs s VAL 141 Cb 0.06 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1hqs s VAL 141 CO -0.01 0.08 0.48 -0.63 0.00 0.00 0.00 175.10 175.02 1hqs s ILE 142 N 1.67 5.14 -0.43 2.22 -1.09 -0.08 -1.02 121.20 127.61 1hqs s ILE 142 Ca 0.00 0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 59.23 1hqs s ILE 142 Cb -0.15 -3.81 0.09 0.00 -1.58 0.00 0.00 42.46 37.01 1hqs s ILE 142 CO -0.07 0.21 0.27 -0.36 -1.23 0.00 0.00 174.94 173.76 1hqs s PHE 143 N 1.43 3.39 -0.23 3.97 0.08 0.12 -0.68 117.98 126.05 1hqs s PHE 143 Ca 0.23 -1.73 -0.08 0.00 0.12 0.00 0.00 56.93 55.47 1hqs s PHE 143 Cb -0.15 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.15 1hqs s PHE 143 CO 0.09 -0.90 0.08 0.50 -0.10 0.00 0.00 175.22 174.89 1hqs s ARG 144 N 1.37 3.78 0.23 0.44 3.52 -1.26 -1.35 118.95 125.68 1hqs s ARG 144 Ca 0.04 -0.42 -0.32 0.00 -0.13 0.00 0.00 55.73 54.90 1hqs s ARG 144 Cb -0.24 -3.33 -0.12 0.00 -1.56 0.00 0.00 34.95 29.70 1hqs s ARG 144 CO 0.01 -0.05 1.69 -1.91 -0.81 0.00 0.00 175.30 174.22 1hqs n GLU 145 N 4.52 2.73 -0.07 5.12 0.00 -0.33 -4.48 120.64 128.13 1hqs n GLU 145 Ca -0.16 0.98 0.02 0.00 0.00 0.00 0.00 57.16 58.01 1hqs n GLU 145 Cb 0.52 -2.81 0.06 0.00 0.00 0.00 0.00 31.44 29.21 1hqs n GLU 145 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1hqs n ASN 146 N 3.50 2.30 0.00 4.31 5.15 0.22 -2.72 115.26 128.02 1hqs n ASN 146 Ca 0.14 -1.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.21 1hqs n ASN 146 Cb 0.35 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1hqs n ASN 146 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1hqs n THR 147 N -0.02 0.00 -1.14 -0.44 -2.24 -1.26 -4.63 114.28 104.56 1hqs n THR 147 Ca 0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1hqs n THR 147 Cb 0.31 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1hqs n THR 147 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1hqs n GLU 148 N -0.58 1.35 0.00 -0.78 0.28 -1.26 -4.77 120.64 114.88 1hqs n GLU 148 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1hqs n GLU 148 Cb 0.01 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.88 1hqs n GLU 148 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1hqs n ASP 149 N 0.00 -2.39 0.22 -1.84 4.64 0.69 -3.61 116.55 114.27 1hqs n ASP 149 Ca 0.00 0.00 0.15 0.00 -1.38 0.00 0.00 54.79 53.56 1hqs n ASP 149 Cb 0.00 0.00 0.78 0.00 -1.04 0.00 0.00 41.12 40.86 1hqs n ASP 149 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1hqs h ILE 150 N 0.00 0.00 0.00 5.18 6.09 -1.82 -1.16 117.51 125.80 1hqs h ILE 150 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1hqs h ILE 150 Cb 0.00 0.64 0.00 0.00 0.47 0.00 0.00 36.82 37.93 1hqs h ILE 150 CO 0.00 0.00 0.00 -1.22 -3.07 0.00 0.00 178.15 173.86 1hqs n TYR 151 N -2.51 0.00 0.21 2.19 4.02 -1.24 -2.85 117.16 116.99 1hqs n TYR 151 Ca -0.02 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.05 1hqs n TYR 151 Cb 0.05 -0.47 0.81 0.00 -0.02 0.00 0.00 39.34 39.70 1hqs n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hqs h ALA 152 N 2.42 1.72 -1.31 -0.72 0.00 -1.35 -3.45 119.26 116.56 1hqs h ALA 152 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1hqs h ALA 152 Cb 0.19 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hqs h ALA 152 CO 0.00 -0.44 -0.17 0.41 0.00 0.00 0.00 179.25 179.05 1hqs n GLY 153 N -1.36 0.21 3.33 0.00 0.00 -1.13 -5.00 105.19 101.24 1hqs n GLY 153 Ca 0.02 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1hqs n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqs s ILE 154 N -2.52 4.90 0.06 -0.61 1.01 -1.26 -5.03 121.20 117.75 1hqs s ILE 154 Ca 0.05 -1.30 -0.24 0.00 0.00 0.00 0.00 60.65 59.15 1hqs s ILE 154 Cb -0.02 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1hqs s ILE 154 CO 0.06 -0.64 0.58 -1.83 0.00 0.00 0.00 174.94 173.11 1hqs s GLU 155 N 1.56 1.12 -0.02 2.79 -1.05 -1.26 -0.67 118.70 121.16 1hqs s GLU 155 Ca 0.04 -0.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.67 1hqs s GLU 155 Cb -0.25 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1hqs s GLU 155 CO 0.04 -0.43 -0.07 0.71 0.95 0.00 0.00 175.26 176.46 1hqs s TYR 156 N -2.62 0.79 0.36 4.83 1.51 0.13 -5.00 117.35 117.35 1hqs s TYR 156 Ca -0.04 -0.19 -0.25 0.00 -1.01 0.00 0.00 57.07 55.58 1hqs s TYR 156 Cb -0.01 -0.58 -0.10 0.00 -0.11 0.00 0.00 41.96 41.17 1hqs s TYR 156 CO -0.03 -0.09 0.99 0.00 -1.11 0.00 0.00 175.55 175.31 1hqs s ALA 157 N 0.24 3.16 0.24 3.71 0.00 -1.26 -1.13 121.76 126.72 1hqs s ALA 157 Ca -0.03 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1hqs s ALA 157 Cb -0.08 -3.22 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 1hqs s ALA 157 CO 0.00 0.00 1.45 1.17 0.00 0.00 0.00 175.76 178.38 1hqs n LYS 158 N 0.26 2.12 -0.14 0.00 0.00 -1.25 -1.59 118.16 117.56 1hqs n LYS 158 Ca 0.03 0.76 0.00 0.00 0.00 0.00 0.00 58.31 59.10 1hqs n LYS 158 Cb 0.50 -2.44 0.00 0.00 0.00 0.00 0.00 35.03 33.09 1hqs n LYS 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hqs n GLY 159 N 2.28 1.51 3.86 3.14 0.00 -1.26 -5.00 105.19 109.72 1hqs n GLY 159 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1hqs n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hqs s SER 160 N -3.13 6.61 0.40 1.61 1.04 -0.62 -4.96 113.70 114.66 1hqs s SER 160 Ca 0.00 1.36 0.19 0.00 0.48 0.00 0.00 55.95 57.98 1hqs s SER 160 Cb 0.00 -2.42 0.85 0.00 0.10 0.00 0.00 66.02 64.56 1hqs s SER 160 CO 0.00 -0.46 1.83 1.05 0.98 0.00 0.00 173.24 176.64 1hqs h GLU 161 N 1.24 0.00 -0.35 4.02 4.11 -1.96 -2.82 114.58 118.81 1hqs h GLU 161 Ca -0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.88 1hqs h GLU 161 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1hqs h GLU 161 CO 0.63 0.32 -0.08 0.93 0.07 0.00 0.00 179.01 180.88 1hqs h GLU 162 N 0.00 0.68 -0.23 1.06 3.07 -1.93 -0.37 114.58 116.87 1hqs h GLU 162 Ca -0.00 -0.26 -0.08 0.00 -0.50 0.00 0.00 59.36 58.51 1hqs h GLU 162 Cb 0.72 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1hqs h GLU 162 CO 0.04 0.84 -0.23 -0.24 -1.40 0.00 0.00 179.01 178.02 1hqs h VAL 163 N 0.47 1.25 -0.48 3.13 3.04 -1.77 -0.45 116.25 121.43 1hqs h VAL 163 Ca 0.09 -1.18 -0.07 0.00 -1.01 0.00 0.00 66.70 64.53 1hqs h VAL 163 Cb 0.59 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 1hqs h VAL 163 CO 0.03 0.37 0.02 -0.61 -1.01 0.00 0.00 177.57 176.38 1hqs h GLN 164 N 0.37 0.84 -0.32 4.17 4.15 -1.25 0.69 115.11 123.77 1hqs h GLN 164 Ca 0.06 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 1hqs h GLN 164 Cb 0.61 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1hqs h GLN 164 CO 0.04 0.87 0.15 0.87 -1.93 0.00 0.00 178.83 178.83 1hqs h LYS 165 N 0.70 0.46 -0.15 1.69 1.57 -0.56 -0.83 116.57 119.45 1hqs h LYS 165 Ca 0.14 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1hqs h LYS 165 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1hqs h LYS 165 CO 0.02 0.44 0.08 1.25 -0.57 0.00 0.00 179.45 180.67 1hqs h LEU 166 N 0.37 0.18 -0.91 2.94 5.85 -0.88 -0.88 115.31 121.98 1hqs h LEU 166 Ca 0.11 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1hqs h LEU 166 Cb 0.13 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1hqs h LEU 166 CO -0.01 0.20 0.33 0.40 -0.34 0.00 0.00 178.44 179.02 1hqs h ILE 167 N 0.15 1.25 -0.37 4.05 2.04 -0.77 -0.51 117.51 123.34 1hqs h ILE 167 Ca 0.05 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1hqs h ILE 167 Cb 0.06 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1hqs h ILE 167 CO -0.01 0.31 -0.05 0.28 0.00 0.00 0.00 178.15 178.69 1hqs h SER 168 N 1.10 0.58 -0.08 1.72 0.02 -0.91 0.51 113.55 116.49 1hqs h SER 168 Ca 0.26 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1hqs h SER 168 Cb 0.16 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1hqs h SER 168 CO -0.03 0.68 -0.12 0.15 -1.14 0.00 0.00 176.83 176.38 1hqs h PHE 169 N 0.57 0.28 -0.48 3.45 3.57 -0.73 -1.42 116.94 122.18 1hqs h PHE 169 Ca 0.11 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1hqs h PHE 169 Cb 0.43 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1hqs h PHE 169 CO 0.02 0.70 0.30 -0.07 -2.23 0.00 0.00 178.31 177.03 1hqs h LEU 170 N -0.22 0.50 -0.08 0.59 3.38 -0.81 0.45 115.31 119.13 1hqs h LEU 170 Ca 0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1hqs h LEU 170 Cb 0.67 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1hqs h LEU 170 CO 0.03 0.36 -0.09 1.56 0.09 0.00 0.00 178.44 180.39 1hqs h GLN 171 N 0.61 0.19 0.07 1.13 4.20 -0.97 -0.95 115.11 119.38 1hqs h GLN 171 Ca 0.19 -0.11 -0.28 0.00 0.06 0.00 0.00 58.65 58.51 1hqs h GLN 171 Cb -0.02 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1hqs h GLN 171 CO -0.07 0.64 -1.44 -0.91 -0.67 0.00 0.00 178.83 176.38 1hqs h ASN 172 N -0.24 0.22 0.09 1.46 2.35 -1.24 -2.65 115.58 115.56 1hqs h ASN 172 Ca 0.01 -0.32 -0.36 0.00 -0.55 0.00 0.00 56.30 55.09 1hqs h ASN 172 Cb 0.61 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.84 1hqs h ASN 172 CO 0.02 1.26 -2.27 1.21 -1.65 0.00 0.00 177.43 176.00 1hqs n GLU 173 N -3.35 0.68 -0.07 0.81 2.13 0.13 -4.52 120.64 116.45 1hqs n GLU 173 Ca -0.13 0.06 0.06 0.00 0.66 0.00 0.00 57.16 57.81 1hqs n GLU 173 Cb 1.02 -1.57 0.09 0.00 0.27 0.00 0.00 31.44 31.25 1hqs n GLU 173 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1hqs n LEU 174 N -2.85 2.31 -4.00 4.31 4.77 -0.98 -5.00 117.00 115.56 1hqs n LEU 174 Ca -0.31 -1.37 -0.32 0.00 -0.03 0.00 0.00 56.01 53.99 1hqs n LEU 174 Cb 1.13 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 42.14 1hqs n LEU 174 CO 0.42 0.50 0.05 0.59 -1.33 0.00 0.00 177.39 177.63 1hqs n ASN 175 N 0.60 -4.11 -4.70 -1.43 3.02 -0.80 -4.92 115.26 102.92 1hqs n ASN 175 Ca 0.08 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 1hqs n ASN 175 Cb 0.34 -3.53 -0.03 0.00 -0.61 0.00 0.00 39.78 35.94 1hqs n ASN 175 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1hqs s VAL 176 N -3.33 4.32 0.00 2.41 1.01 -0.43 -4.89 120.40 119.50 1hqs s VAL 176 Ca 0.64 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.28 1hqs s VAL 176 Cb -0.33 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1hqs s VAL 176 CO 0.86 0.06 0.71 -0.46 0.00 0.00 0.00 175.10 176.28 1hqs n ASN 177 N 4.56 1.24 -0.39 3.32 0.23 -1.26 -4.44 115.26 118.52 1hqs n ASN 177 Ca 0.09 -1.51 0.14 0.00 -0.53 0.00 0.00 54.58 52.77 1hqs n ASN 177 Cb 0.47 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.63 1hqs n ASN 177 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1hqs n LYS 178 N -0.25 1.33 -2.59 -3.83 4.76 -1.26 -4.82 118.16 111.49 1hqs n LYS 178 Ca 0.00 -0.78 -0.43 0.00 -2.87 0.00 0.00 58.31 54.23 1hqs n LYS 178 Cb 0.24 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.93 1hqs n LYS 178 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1hqs s ILE 179 N -2.21 4.16 0.15 -0.18 1.01 -1.26 -4.92 121.20 117.94 1hqs s ILE 179 Ca 0.32 1.16 -0.17 0.00 0.00 0.00 0.00 60.65 61.96 1hqs s ILE 179 Cb 0.20 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 38.04 1hqs s ILE 179 CO 0.41 -1.08 1.78 -0.09 0.00 0.00 0.00 174.94 175.96 1hqs h ARG 180 N 9.31 0.38 -2.40 2.79 9.65 -2.02 -3.35 114.38 128.74 1hqs h ARG 180 Ca -0.23 -0.02 -0.59 0.00 -1.10 0.00 0.00 59.98 58.03 1hqs h ARG 180 Cb 1.06 -0.09 -0.40 0.00 -1.39 0.00 0.00 29.97 29.15 1hqs h ARG 180 CO 1.14 0.25 -0.79 1.19 2.80 0.00 0.00 179.97 184.56 1hqs n PHE 181 N -4.91 1.62 0.30 2.20 3.72 -1.26 -4.98 117.46 114.15 1hqs n PHE 181 Ca 0.00 -3.87 0.17 0.00 -0.05 0.00 0.00 57.45 53.69 1hqs n PHE 181 Cb 0.07 -0.35 0.96 0.00 -0.94 0.00 0.00 39.48 39.21 1hqs n PHE 181 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1hqs h PRO 182 N 4.72 0.00 0.00 -1.08 0.13 -1.98 -2.73 132.00 131.06 1hqs h PRO 182 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1hqs h PRO 182 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1hqs h PRO 182 CO 0.62 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.34 1hqs h GLU 183 N 0.00 0.00 0.00 0.86 4.39 -1.95 -3.32 114.58 114.56 1hqs h GLU 183 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1hqs h GLU 183 Cb 0.06 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1hqs h GLU 183 CO 0.00 0.00 -0.41 0.25 -1.16 0.00 0.00 179.01 177.69 1hqs n THR 184 N -2.97 1.16 -3.52 1.13 -2.24 -1.05 -4.78 114.28 102.02 1hqs n THR 184 Ca 0.04 -1.70 -0.38 0.00 -2.27 0.00 0.00 64.05 59.74 1hqs n THR 184 Cb 0.48 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1hqs n THR 184 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1hqs s SER 185 N -2.33 6.73 0.16 3.42 0.01 -1.11 -4.88 113.70 115.70 1hqs s SER 185 Ca 0.25 0.87 -0.03 0.00 1.31 0.00 0.00 55.95 58.35 1hqs s SER 185 Cb 0.25 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 1hqs s SER 185 CO -0.03 0.28 0.37 -0.83 0.41 0.00 0.00 173.24 173.43 1hqs s GLY 186 N -0.76 2.08 -0.04 3.44 0.00 -1.26 -3.88 107.32 106.89 1hqs s GLY 186 Ca 0.23 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.30 1hqs s GLY 186 CO 0.11 -0.61 -0.10 -0.42 0.00 0.00 0.00 173.10 172.09 1hqs s ILE 187 N -1.72 0.90 0.12 0.90 -1.09 -0.28 -4.93 121.20 115.10 1hqs s ILE 187 Ca 0.40 -0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.51 1hqs s ILE 187 Cb -0.12 -0.82 -0.04 0.00 -1.58 0.00 0.00 42.46 39.90 1hqs s ILE 187 CO 0.27 0.29 -0.11 -0.83 -1.23 0.00 0.00 174.94 173.33 1hqs s GLY 188 N 0.46 1.76 -0.15 6.18 0.00 -1.26 -0.70 107.32 113.62 1hqs s GLY 188 Ca -0.09 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 1hqs s GLY 188 CO 0.02 -1.30 -0.13 -0.42 0.00 0.00 0.00 173.10 171.27 1hqs s ILE 189 N -1.32 2.92 -0.47 0.90 -1.09 0.15 -4.99 121.20 117.30 1hqs s ILE 189 Ca 0.22 -0.69 -0.04 0.00 -2.23 0.00 0.00 60.65 57.91 1hqs s ILE 189 Cb -0.10 -2.24 0.12 0.00 -1.58 0.00 0.00 42.46 38.66 1hqs s ILE 189 CO 0.14 0.51 0.28 -0.75 -1.23 0.00 0.00 174.94 173.89 1hqs s LYS 190 N 0.72 2.20 -0.10 2.79 2.20 -1.26 -4.55 119.74 121.74 1hqs s LYS 190 Ca -0.06 -2.00 -0.14 0.00 -0.36 0.00 0.00 55.97 53.40 1hqs s LYS 190 Cb -0.15 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 1hqs s LYS 190 CO 0.02 -1.11 0.35 -1.25 -0.36 0.00 0.00 175.35 172.99 1hqs s PRO 191 N 0.84 4.11 -0.04 4.03 0.05 -1.26 -4.89 135.00 137.85 1hqs s PRO 191 Ca 0.10 0.24 -0.00 0.00 0.05 0.00 0.00 61.00 61.39 1hqs s PRO 191 Cb -0.22 -3.35 0.03 0.00 0.05 0.00 0.00 34.50 31.00 1hqs s PRO 191 CO -0.04 0.40 0.00 0.08 0.05 0.00 0.00 177.00 177.49 1hqs s VAL 192 N -0.07 0.25 0.32 -0.36 1.01 -1.26 -0.22 120.40 120.07 1hqs s VAL 192 Ca 0.20 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.38 1hqs s VAL 192 Cb -0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 1hqs s VAL 192 CO 0.08 0.19 -0.10 -0.94 0.00 0.00 0.00 175.10 174.32 1hqs s SER 193 N 1.36 3.44 0.13 3.32 1.04 -1.26 -4.87 113.70 116.87 1hqs s SER 193 Ca -0.05 -1.17 -0.13 0.00 0.48 0.00 0.00 55.95 55.09 1hqs s SER 193 Cb -0.13 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 1hqs s SER 193 CO -0.02 -0.20 1.48 -0.08 0.98 0.00 0.00 173.24 175.40 1hqs h GLU 194 N 2.14 0.85 -0.28 4.02 4.81 -1.98 -0.76 114.58 123.38 1hqs h GLU 194 Ca -0.41 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 58.40 1hqs h GLU 194 Cb 1.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1hqs h GLU 194 CO 0.68 1.04 0.11 0.93 -0.73 0.00 0.00 179.01 181.04 1hqs h GLU 195 N 0.65 0.41 -0.56 1.92 5.08 -1.99 0.72 114.58 120.81 1hqs h GLU 195 Ca 0.08 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1hqs h GLU 195 Cb 0.83 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1hqs h GLU 195 CO 0.07 0.43 -0.03 0.78 -1.00 0.00 0.00 179.01 179.27 1hqs h GLY 196 N 0.30 1.10 0.73 -3.84 0.00 -1.96 -2.65 103.07 96.74 1hqs h GLY 196 Ca 0.09 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1hqs h GLY 196 CO -0.01 0.76 -0.02 -0.84 0.00 0.00 0.00 176.54 176.44 1hqs h THR 197 N 0.90 1.28 -0.22 4.70 2.02 -1.05 -2.97 112.91 117.56 1hqs h THR 197 Ca 0.16 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.48 1hqs h THR 197 Cb 0.58 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 1hqs h THR 197 CO 0.03 0.26 -0.05 0.28 0.37 0.00 0.00 175.52 176.41 1hqs h SER 198 N -0.12 -0.21 -0.28 4.18 0.02 -0.80 0.38 113.55 116.72 1hqs h SER 198 Ca 0.03 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1hqs h SER 198 Cb 0.41 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1hqs h SER 198 CO 0.01 -0.07 -0.03 0.08 -1.14 0.00 0.00 176.83 175.68 1hqs h ARG 199 N 0.00 0.63 0.06 3.45 0.11 -1.55 0.10 114.38 117.18 1hqs h ARG 199 Ca 0.11 -0.16 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 1hqs h ARG 199 Cb 0.16 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1hqs h ARG 199 CO -0.23 0.67 -0.03 1.25 0.10 0.00 0.00 179.97 181.73 1hqs h LEU 200 N 0.60 -0.07 -1.05 0.08 7.12 -1.30 -2.26 115.31 118.44 1hqs h LEU 200 Ca 0.12 -0.38 -0.05 0.00 0.13 0.00 0.00 57.88 57.70 1hqs h LEU 200 Cb 0.42 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 1hqs h LEU 200 CO 0.02 0.36 0.13 0.58 -0.13 0.00 0.00 178.44 179.39 1hqs h VAL 201 N -0.50 1.22 -0.29 1.05 2.07 -0.83 -1.54 116.25 117.43 1hqs h VAL 201 Ca -0.01 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1hqs h VAL 201 Cb 0.44 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1hqs h VAL 201 CO 0.01 0.30 0.14 -0.09 0.02 0.00 0.00 177.57 177.95 1hqs h ARG 202 N 0.79 0.29 -0.78 1.57 2.43 -0.94 0.66 114.38 118.40 1hqs h ARG 202 Ca 0.17 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1hqs h ARG 202 Cb 0.29 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1hqs h ARG 202 CO -0.00 0.19 0.43 0.00 -1.51 0.00 0.00 179.97 179.07 1hqs h ALA 203 N 1.15 1.28 -0.43 2.80 0.00 -0.93 0.30 119.26 123.44 1hqs h ALA 203 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1hqs h ALA 203 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1hqs h ALA 203 CO -0.09 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.85 1hqs h ALA 204 N 1.37 0.56 -0.22 0.00 0.00 -0.31 -1.49 119.26 119.18 1hqs h ALA 204 Ca 0.28 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1hqs h ALA 204 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1hqs h ALA 204 CO -0.04 0.25 -0.18 0.82 0.00 0.00 0.00 179.25 180.10 1hqs h ILE 205 N 0.55 1.32 -0.82 0.00 2.04 -0.62 -1.76 117.51 118.23 1hqs h ILE 205 Ca 0.13 -1.31 0.11 0.00 1.00 0.00 0.00 64.86 64.78 1hqs h ILE 205 Cb 0.33 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 1hqs h ILE 205 CO 0.00 0.40 0.45 0.44 0.00 0.00 0.00 178.15 179.45 1hqs h ASP 206 N 0.21 0.62 -0.48 1.72 3.32 -0.86 -0.43 116.42 120.52 1hqs h ASP 206 Ca 0.04 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1hqs h ASP 206 Cb 0.71 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1hqs h ASP 206 CO 0.05 0.34 0.06 0.22 -1.72 0.00 0.00 179.24 178.19 1hqs h TYR 207 N 0.73 0.85 -0.81 4.55 3.20 -1.15 -1.48 116.97 122.87 1hqs h TYR 207 Ca 0.41 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1hqs h TYR 207 Cb 0.43 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1hqs h TYR 207 CO -0.07 0.79 0.50 0.00 -1.64 0.00 0.00 178.16 177.74 1hqs h ALA 208 N 0.95 1.03 0.31 1.82 0.00 -0.33 -1.47 119.26 121.56 1hqs h ALA 208 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1hqs h ALA 208 Cb 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1hqs h ALA 208 CO 0.01 0.48 -0.15 0.82 0.00 0.00 0.00 179.25 180.41 1hqs h ILE 209 N 1.10 0.72 -0.17 0.00 2.04 -0.97 -0.31 117.51 119.92 1hqs h ILE 209 Ca 0.29 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1hqs h ILE 209 Cb -0.07 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1hqs h ILE 209 CO -0.06 0.08 0.04 -0.08 0.00 0.00 0.00 178.15 178.13 1hqs h GLU 210 N -0.62 0.23 -0.52 2.37 4.81 -1.15 -2.90 114.58 116.81 1hqs h GLU 210 Ca -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1hqs h GLU 210 Cb 0.44 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1hqs h GLU 210 CO 0.07 0.22 0.00 0.72 -0.73 0.00 0.00 179.01 179.29 1hqs n HIS 211 N -4.44 0.69 -2.63 0.92 8.25 -0.57 -4.99 115.22 112.46 1hqs n HIS 211 Ca -0.00 -0.44 -0.20 0.00 -0.26 0.00 0.00 57.72 56.82 1hqs n HIS 211 Cb 0.14 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.25 1hqs n HIS 211 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqs n GLY 212 N 1.18 -0.41 3.77 -1.41 0.00 -0.65 -4.98 105.19 102.69 1hqs n GLY 212 Ca 0.18 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1hqs n GLY 212 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hqs s ARG 213 N -5.25 4.65 0.36 1.61 1.81 -0.22 -5.00 118.95 116.92 1hqs s ARG 213 Ca 0.13 1.48 0.19 0.00 -1.72 0.00 0.00 55.73 55.81 1hqs s ARG 213 Cb -0.06 -3.01 0.38 0.00 -0.45 0.00 0.00 34.95 31.81 1hqs s ARG 213 CO 0.16 0.31 1.59 0.87 -0.68 0.00 0.00 175.30 177.56 1hqs h LYS 214 N 3.56 0.00 -3.07 3.54 1.79 -1.94 -3.44 116.57 117.01 1hqs h LYS 214 Ca -0.46 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 1hqs h LYS 214 Cb 1.20 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.74 1hqs h LYS 214 CO 0.66 0.32 0.16 -1.54 -1.08 0.00 0.00 179.45 177.97 1hqs s SER 215 N -6.32 -0.48 -0.11 0.86 1.04 -1.26 -1.86 113.70 105.55 1hqs s SER 215 Ca 0.04 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.36 1hqs s SER 215 Cb 0.08 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1hqs s SER 215 CO 0.70 -0.99 -0.14 -0.69 0.98 0.00 0.00 173.24 173.10 1hqs s VAL 216 N -3.78 1.46 -0.23 5.02 1.01 -0.44 -1.74 120.40 121.71 1hqs s VAL 216 Ca 0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1hqs s VAL 216 Cb -0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1hqs s VAL 216 CO -0.11 0.43 0.02 -0.89 0.00 0.00 0.00 175.10 174.56 1hqs s THR 217 N 1.12 3.95 -0.28 3.92 2.01 -0.03 -1.16 115.64 125.17 1hqs s THR 217 Ca -0.04 -0.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1hqs s THR 217 Cb -0.14 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1hqs s THR 217 CO -0.03 0.38 0.88 -0.76 -0.69 0.00 0.00 174.62 174.39 1hqs s LEU 218 N 1.47 4.06 -0.17 4.42 1.43 0.71 -0.63 118.68 129.96 1hqs s LEU 218 Ca 0.05 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 54.05 1hqs s LEU 218 Cb -0.15 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1hqs s LEU 218 CO 0.01 -0.62 0.00 -0.69 0.23 0.00 0.00 176.35 175.28 1hqs s VAL 219 N 3.05 4.20 0.22 -1.59 1.01 -0.53 -0.70 120.40 126.05 1hqs s VAL 219 Ca 0.37 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1hqs s VAL 219 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1hqs s VAL 219 CO 0.10 0.47 0.58 -1.38 0.00 0.00 0.00 175.10 174.87 1hqs s HIS 220 N 0.50 -0.12 -0.53 5.22 -3.43 -0.71 -4.32 115.29 111.90 1hqs s HIS 220 Ca -0.01 -0.25 0.05 0.00 -0.80 0.00 0.00 55.06 54.06 1hqs s HIS 220 Cb -0.14 0.48 0.37 0.00 -1.43 0.00 0.00 32.58 31.86 1hqs s HIS 220 CO 0.02 -1.02 1.00 1.17 -2.00 0.00 0.00 174.74 173.91 1hqs n LYS 221 N -0.39 3.24 0.00 -0.38 3.00 -1.26 0.18 118.16 122.55 1hqs n LYS 221 Ca -0.08 -4.70 0.08 0.00 -0.00 0.00 0.00 58.31 53.61 1hqs n LYS 221 Cb 0.62 -2.22 0.35 0.00 0.00 0.00 0.00 35.03 33.78 1hqs n LYS 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hqs n GLY 222 N -0.31 -1.04 0.15 3.14 0.00 -1.26 -1.55 105.19 104.32 1hqs n GLY 222 Ca 0.33 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 1hqs n GLY 222 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1hqs h ASN 223 N 0.00 0.63 0.07 1.61 7.08 -1.95 -3.27 115.58 119.74 1hqs h ASN 223 Ca 0.00 -0.58 -0.32 0.00 -3.08 0.00 0.00 56.30 52.32 1hqs h ASN 223 Cb 0.27 -0.20 -0.03 0.00 -2.08 0.00 0.00 38.32 36.29 1hqs h ASN 223 CO 0.00 1.41 -1.77 -0.38 -2.08 0.00 0.00 177.43 174.61 1hqs n ILE 224 N -3.70 1.67 -3.49 6.14 2.08 -1.19 -4.52 119.36 116.35 1hqs n ILE 224 Ca -0.10 -0.41 -0.41 0.00 0.56 0.00 0.00 62.75 62.39 1hqs n ILE 224 Cb 0.95 -1.84 -0.04 0.00 -0.75 0.00 0.00 39.64 37.95 1hqs n ILE 224 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1hqs s MET 225 N -2.48 3.51 0.15 0.38 -1.94 -0.59 -4.92 119.30 113.40 1hqs s MET 225 Ca -0.26 -2.96 -0.12 0.00 -1.71 0.00 0.00 55.69 50.64 1hqs s MET 225 Cb 0.07 -4.20 0.01 0.00 2.01 0.00 0.00 34.83 32.72 1hqs s MET 225 CO 0.68 -1.25 1.58 0.87 -0.01 0.00 0.00 175.02 176.90 1hqs h LYS 226 N 6.76 0.88 -0.11 2.03 1.57 -1.79 0.08 116.57 125.99 1hqs h LYS 226 Ca 0.12 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1hqs h LYS 226 Cb 0.90 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1hqs h LYS 226 CO 0.85 0.94 0.00 1.19 -0.57 0.00 0.00 179.45 181.86 1hqs n PHE 227 N -4.30 0.12 0.00 -1.35 0.99 -1.26 -1.99 117.46 109.68 1hqs n PHE 227 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1hqs n PHE 227 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 1hqs n PHE 227 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1hqs n THR 228 N 0.69 0.00 -0.04 4.37 -2.24 -1.25 -4.54 114.28 111.27 1hqs n THR 228 Ca 0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1hqs n THR 228 Cb 0.45 -0.77 0.04 0.00 -2.10 0.00 0.00 70.33 67.95 1hqs n THR 228 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1hqs h GLU 229 N 0.00 0.69 -0.58 -0.78 5.08 -1.76 0.11 114.58 117.34 1hqs h GLU 229 Ca 0.00 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.88 1hqs h GLU 229 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1hqs h GLU 229 CO 0.00 1.01 0.02 0.78 -1.00 0.00 0.00 179.01 179.82 1hqs h GLY 230 N 0.95 1.09 1.06 -3.84 0.00 -0.93 -2.44 103.07 98.96 1hqs h GLY 230 Ca 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 1hqs h GLY 230 CO 0.10 0.72 0.35 0.00 0.00 0.00 0.00 176.54 177.71 1hqs h ALA 231 N 0.98 1.09 -0.41 3.60 0.00 -1.16 -2.28 119.26 121.08 1hqs h ALA 231 Ca 0.17 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1hqs h ALA 231 Cb 0.52 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1hqs h ALA 231 CO 0.03 0.66 0.09 0.35 0.00 0.00 0.00 179.25 180.38 1hqs h PHE 232 N 1.17 0.16 -0.31 0.00 3.04 -0.66 0.34 116.94 120.68 1hqs h PHE 232 Ca 0.27 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.27 1hqs h PHE 232 Cb 0.17 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 1hqs h PHE 232 CO 0.02 0.03 0.14 -0.22 -2.02 0.00 0.00 178.31 176.25 1hqs h LYS 233 N 0.23 0.28 -0.29 1.11 3.64 -1.00 -0.68 116.57 119.86 1hqs h LYS 233 Ca 0.20 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1hqs h LYS 233 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1hqs h LYS 233 CO -0.25 0.19 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.09 1hqs h ASN 234 N 0.29 0.60 -0.49 4.20 2.35 -0.87 -2.09 115.58 119.58 1hqs h ASN 234 Ca 0.13 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1hqs h ASN 234 Cb 0.07 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1hqs h ASN 234 CO -0.11 0.86 0.29 -0.50 -1.65 0.00 0.00 177.43 176.33 1hqs h TRP 235 N 0.33 0.67 -0.28 1.19 6.55 -0.22 -0.97 115.95 123.22 1hqs h TRP 235 Ca 0.07 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.84 1hqs h TRP 235 Cb 0.62 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.70 1hqs h TRP 235 CO 0.06 0.46 -0.10 0.78 -1.05 0.00 0.00 178.44 178.58 1hqs h GLY 236 N 0.75 0.61 1.01 1.49 0.00 -0.92 -0.82 103.07 105.19 1hqs h GLY 236 Ca 0.18 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1hqs h GLY 236 CO -0.03 0.48 0.12 -0.97 0.00 0.00 0.00 176.54 176.14 1hqs h TYR 237 N 0.31 0.97 -0.45 5.60 0.05 -1.12 -1.62 116.97 120.71 1hqs h TYR 237 Ca 0.07 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1hqs h TYR 237 Cb 0.60 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1hqs h TYR 237 CO 0.06 0.84 0.23 0.93 -1.05 0.00 0.00 178.16 179.16 1hqs h GLU 238 N 0.82 0.64 -0.02 4.88 5.08 -1.11 -1.77 114.58 123.10 1hqs h GLU 238 Ca 0.18 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1hqs h GLU 238 Cb 0.37 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1hqs h GLU 238 CO 0.01 0.54 0.01 1.25 -1.00 0.00 0.00 179.01 179.82 1hqs h LEU 239 N 0.59 0.03 -0.63 1.33 5.85 -1.00 -0.27 115.31 121.21 1hqs h LEU 239 Ca 0.16 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.93 1hqs h LEU 239 Cb 0.10 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 1hqs h LEU 239 CO -0.02 0.09 0.07 0.00 -0.34 0.00 0.00 178.44 178.24 1hqs h ALA 240 N 0.94 0.70 -0.13 1.25 0.00 -1.10 0.34 119.26 121.26 1hqs h ALA 240 Ca 0.01 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1hqs h ALA 240 Cb 0.07 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1hqs h ALA 240 CO -0.00 -0.36 -0.64 0.93 0.00 0.00 0.00 179.25 179.18 1hqs h GLU 241 N 0.18 0.66 -0.34 0.00 5.08 -1.12 -1.21 114.58 117.83 1hqs h GLU 241 Ca 0.34 -0.54 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1hqs h GLU 241 Cb 0.54 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1hqs h GLU 241 CO -0.49 1.16 0.07 -0.22 -1.00 0.00 0.00 179.01 178.54 1hqs h LYS 242 N 0.33 0.55 0.00 2.33 1.63 -0.59 -2.84 116.57 117.99 1hqs h LYS 242 Ca -0.04 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1hqs h LYS 242 Cb 1.28 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1hqs h LYS 242 CO 0.13 0.62 -1.23 0.39 -3.45 0.00 0.00 179.45 175.91 1hqs n GLU 243 N -4.61 0.75 -1.48 1.90 1.02 0.07 -4.62 120.64 113.67 1hqs n GLU 243 Ca -0.02 -0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1hqs n GLU 243 Cb 0.20 -1.41 0.05 0.00 -0.02 0.00 0.00 31.44 30.26 1hqs n GLU 243 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1hqs n TYR 244 N -1.69 0.11 -0.19 -0.32 4.02 -0.46 -4.92 117.16 113.70 1hqs n TYR 244 Ca 0.01 -0.76 0.22 0.00 -0.01 0.00 0.00 57.90 57.36 1hqs n TYR 244 Cb 0.36 -0.17 0.59 0.00 -0.02 0.00 0.00 39.34 40.10 1hqs n TYR 244 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1hqs h GLY 245 N 1.12 0.52 1.88 2.72 0.00 -1.45 -0.10 103.07 107.75 1hqs h GLY 245 Ca -0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1hqs h GLY 245 CO 0.10 -0.00 -0.17 1.29 0.00 0.00 0.00 176.54 177.76 1hqs h ASP 246 N 0.25 0.00 -0.00 0.19 2.03 -1.91 -3.34 116.42 113.63 1hqs h ASP 246 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 1hqs h ASP 246 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1hqs h ASP 246 CO -0.11 0.04 -0.64 0.29 -1.03 0.00 0.00 179.24 177.80 1hqs n LYS 247 N -3.06 1.44 -4.22 4.15 4.76 -0.16 -5.00 118.16 116.07 1hqs n LYS 247 Ca 0.03 -0.34 -0.13 0.00 -2.87 0.00 0.00 58.31 55.01 1hqs n LYS 247 Cb 0.55 -1.32 -0.10 0.00 -1.84 0.00 0.00 35.03 32.32 1hqs n LYS 247 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1hqs s VAL 248 N -2.40 0.80 -0.14 -0.18 -7.23 -0.53 -1.81 120.40 108.92 1hqs s VAL 248 Ca 0.10 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1hqs s VAL 248 Cb 0.13 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 35.22 1hqs s VAL 248 CO 0.60 -0.69 -0.04 0.12 -0.31 0.00 0.00 175.10 174.79 1hqs s PHE 249 N -3.57 1.35 0.31 2.82 5.36 -0.65 -4.84 117.98 118.76 1hqs s PHE 249 Ca 0.18 -0.77 0.06 0.00 -0.96 0.00 0.00 56.93 55.43 1hqs s PHE 249 Cb 0.05 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.56 1hqs s PHE 249 CO -0.00 -0.53 0.42 0.95 -1.46 0.00 0.00 175.22 174.60 1hqs s THR 250 N 1.75 4.34 -0.26 0.12 -4.23 -1.26 -0.72 115.64 115.37 1hqs s THR 250 Ca 0.03 -1.04 0.24 0.00 -1.18 0.00 0.00 61.69 59.74 1hqs s THR 250 Cb -0.14 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.50 1hqs s THR 250 CO -0.07 -0.21 1.67 -0.50 -0.54 0.00 0.00 174.62 174.97 1hqs h TRP 251 N 1.01 0.00 -0.45 3.99 4.06 -1.57 -1.77 115.95 121.22 1hqs h TRP 251 Ca -0.47 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.38 1hqs h TRP 251 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 1hqs h TRP 251 CO 0.44 0.09 -0.09 0.00 -3.56 0.00 0.00 178.44 175.33 1hqs h ALA 252 N 1.91 0.62 -0.65 1.49 0.00 -1.95 0.24 119.26 120.92 1hqs h ALA 252 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1hqs h ALA 252 Cb 0.95 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1hqs h ALA 252 CO 0.01 0.49 0.09 1.96 0.00 0.00 0.00 179.25 181.80 1hqs h GLN 253 N 0.69 1.08 -0.86 0.00 4.20 -1.91 -2.07 115.11 116.24 1hqs h GLN 253 Ca 0.12 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1hqs h GLN 253 Cb 0.62 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 1hqs h GLN 253 CO 0.04 1.00 0.56 -0.92 -0.67 0.00 0.00 178.83 178.85 1hqs h TYR 254 N 1.01 1.07 -0.08 2.96 3.20 -0.88 -1.40 116.97 122.84 1hqs h TYR 254 Ca 0.20 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1hqs h TYR 254 Cb 0.46 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1hqs h TYR 254 CO 0.03 0.65 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.67 1hqs h ASP 255 N 1.13 -0.26 -0.43 -2.11 3.45 0.13 -0.71 116.42 117.62 1hqs h ASP 255 Ca 0.33 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.83 1hqs h ASP 255 Cb -0.07 0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 1hqs h ASP 255 CO -0.09 -0.12 0.24 0.03 -1.57 0.00 0.00 179.24 177.74 1hqs h ARG 256 N -0.11 0.60 -0.00 3.56 3.08 -1.04 -1.55 114.38 118.92 1hqs h ARG 256 Ca 0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hqs h ARG 256 Cb 0.20 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1hqs h ARG 256 CO -0.15 0.47 0.00 0.82 -1.07 0.00 0.00 179.97 180.04 1hqs h ILE 257 N 0.57 1.03 -0.76 2.04 2.04 -1.09 -0.84 117.51 120.49 1hqs h ILE 257 Ca 0.15 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 66.05 1hqs h ILE 257 Cb 0.04 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 1hqs h ILE 257 CO -0.03 0.02 0.38 0.00 0.00 0.00 0.00 178.15 178.52 1hqs h ALA 258 N 0.97 1.07 -0.11 1.87 0.00 -0.95 0.73 119.26 122.84 1hqs h ALA 258 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1hqs h ALA 258 Cb 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hqs h ALA 258 CO -0.00 -0.06 -0.04 1.49 0.00 0.00 0.00 179.25 180.63 1hqs h GLU 259 N 0.61 0.23 -0.13 0.00 4.81 -1.13 0.19 114.58 119.16 1hqs h GLU 259 Ca 0.39 -0.10 -0.19 0.00 -0.13 0.00 0.00 59.36 59.33 1hqs h GLU 259 Cb 0.46 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1hqs h GLU 259 CO -0.30 0.56 -0.65 1.49 -0.73 0.00 0.00 179.01 179.38 1hqs h GLU 260 N -0.11 0.66 0.00 1.92 4.81 -0.57 -3.39 114.58 117.91 1hqs h GLU 260 Ca 0.03 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1hqs h GLU 260 Cb 0.49 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1hqs h GLU 260 CO 0.01 1.16 0.00 1.04 -0.73 0.00 0.00 179.01 180.50 1hqs n GLN 261 N -4.08 1.08 0.00 1.92 6.02 0.25 -5.09 117.38 117.48 1hqs n GLN 261 Ca -0.08 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 1hqs n GLN 261 Cb 0.68 -0.86 0.00 0.00 1.02 0.00 0.00 30.24 31.08 1hqs n GLN 261 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hqs n GLY 262 N 0.26 1.40 0.09 1.08 0.00 0.66 -4.53 105.19 104.15 1hqs n GLY 262 Ca 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 43.95 1hqs n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hqs h LYS 263 N 0.00 0.00 -0.78 1.61 6.56 -1.89 -2.98 116.57 119.09 1hqs h LYS 263 Ca 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1hqs h LYS 263 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 1hqs h LYS 263 CO 0.00 0.75 0.33 -0.44 -2.06 0.00 0.00 179.45 178.03 1hqs h ASP 264 N 0.00 1.06 -0.29 0.86 3.32 -1.95 0.14 116.42 119.56 1hqs h ASP 264 Ca -0.04 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1hqs h ASP 264 Cb 1.64 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1hqs h ASP 264 CO 0.10 0.93 -0.02 0.00 -1.72 0.00 0.00 179.24 178.52 1hqs h ALA 265 N 1.23 0.39 -0.54 3.45 0.00 -1.79 -2.19 119.26 119.81 1hqs h ALA 265 Ca 0.26 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1hqs h ALA 265 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1hqs h ALA 265 CO -0.03 0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.57 1hqs h ALA 266 N 0.81 0.71 -0.52 0.00 0.00 -1.31 0.02 119.26 118.97 1hqs h ALA 266 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1hqs h ALA 266 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1hqs h ALA 266 CO 0.02 0.35 -0.02 -0.91 0.00 0.00 0.00 179.25 178.69 1hqs h ASN 267 N 0.74 0.88 -0.48 0.00 2.35 -0.73 -1.33 115.58 117.01 1hqs h ASN 267 Ca 0.18 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1hqs h ASN 267 Cb 0.25 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1hqs h ASN 267 CO -0.01 0.95 0.09 0.50 -1.65 0.00 0.00 177.43 177.31 1hqs h LYS 268 N 0.83 0.80 -0.54 0.81 3.64 -1.12 -1.43 116.57 119.55 1hqs h LYS 268 Ca 0.15 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1hqs h LYS 268 Cb 0.52 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1hqs h LYS 268 CO 0.03 0.80 -0.03 0.00 -2.27 0.00 0.00 179.45 177.97 1hqs h ALA 269 N 0.97 0.93 -0.48 5.00 0.00 -0.75 -1.71 119.26 123.21 1hqs h ALA 269 Ca 0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1hqs h ALA 269 Cb 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1hqs h ALA 269 CO 0.01 0.64 0.00 0.37 0.00 0.00 0.00 179.25 180.27 1hqs h GLN 270 N 0.87 0.84 -0.78 0.00 4.15 -1.05 -1.46 115.11 117.67 1hqs h GLN 270 Ca 0.15 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 1hqs h GLN 270 Cb 0.55 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 1hqs h GLN 270 CO 0.03 0.88 0.29 0.77 -1.93 0.00 0.00 178.83 178.87 1hqs h SER 271 N 0.70 1.10 -0.16 -0.69 0.02 -1.11 -2.00 113.55 111.41 1hqs h SER 271 Ca 0.14 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1hqs h SER 271 Cb 0.50 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1hqs h SER 271 CO 0.02 0.99 -0.34 -0.33 -1.14 0.00 0.00 176.83 176.03 1hqs h GLU 272 N 1.15 0.67 -0.67 3.45 5.08 -1.18 -1.75 114.58 121.33 1hqs h GLU 272 Ca 0.26 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1hqs h GLU 272 Cb 0.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1hqs h GLU 272 CO -0.02 0.92 0.18 0.00 -1.00 0.00 0.00 179.01 179.09 1hqs h ALA 273 N 1.06 1.06 0.07 3.43 0.00 -1.00 -0.70 119.26 123.17 1hqs h ALA 273 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1hqs h ALA 273 Cb 0.86 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1hqs h ALA 273 CO 0.07 0.63 -0.03 0.93 0.00 0.00 0.00 179.25 180.85 1hqs h GLU 274 N 1.00 -0.09 -0.25 0.00 5.08 -1.19 0.11 114.58 119.24 1hqs h GLU 274 Ca 0.21 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1hqs h GLU 274 Cb 0.32 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1hqs h GLU 274 CO -0.00 0.19 0.21 0.00 -1.00 0.00 0.00 179.01 178.41 1hqs h ALA 275 N 0.55 2.04 -0.12 3.43 0.00 -1.11 0.47 119.26 124.52 1hqs h ALA 275 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hqs h ALA 275 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hqs h ALA 275 CO 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1hqs n ALA 276 N -2.46 2.54 -1.00 0.00 0.00 -0.29 -4.92 120.51 114.38 1hqs n ALA 276 Ca 0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.05 1hqs n ALA 276 Cb 0.36 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1hqs n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqs n GLY 277 N 1.05 0.46 3.77 0.00 0.00 0.17 -5.03 105.19 105.60 1hqs n GLY 277 Ca 0.16 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 1hqs n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqs s LYS 278 N -0.86 4.43 -0.13 1.61 -0.14 0.33 -5.00 119.74 119.98 1hqs s LYS 278 Ca 0.00 1.62 -0.26 0.00 -1.36 0.00 0.00 55.97 55.97 1hqs s LYS 278 Cb 0.00 -2.87 -0.02 0.00 -1.68 0.00 0.00 37.83 33.26 1hqs s LYS 278 CO 0.00 0.07 0.87 0.42 -0.76 0.00 0.00 175.35 175.95 1hqs s ILE 279 N -1.42 4.88 -0.07 2.17 1.01 -0.75 -4.45 121.20 122.56 1hqs s ILE 279 Ca 0.51 1.74 -0.30 0.00 0.00 0.00 0.00 60.65 62.60 1hqs s ILE 279 Cb -0.26 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 1hqs s ILE 279 CO 0.33 0.06 1.00 -0.63 0.00 0.00 0.00 174.94 175.70 1hqs s ILE 280 N 1.88 4.80 -0.35 2.92 -1.09 -0.78 -1.63 121.20 126.96 1hqs s ILE 280 Ca 0.41 2.05 -0.10 0.00 -2.23 0.00 0.00 60.65 60.78 1hqs s ILE 280 Cb -0.17 -4.31 0.02 0.00 -1.58 0.00 0.00 42.46 36.41 1hqs s ILE 280 CO 0.15 0.05 0.18 -0.63 -1.23 0.00 0.00 174.94 173.47 1hqs s ILE 281 N 1.70 4.49 0.34 2.92 -1.09 0.10 -1.32 121.20 128.33 1hqs s ILE 281 Ca 0.50 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 1hqs s ILE 281 Cb -0.19 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1hqs s ILE 281 CO 0.21 -0.14 0.07 2.29 -1.23 0.00 0.00 174.94 176.13 1hqs n LYS 282 N 4.97 0.83 -3.95 2.79 2.85 -0.31 -1.27 118.16 124.07 1hqs n LYS 282 Ca -0.12 -2.69 -0.09 0.00 -1.05 0.00 0.00 58.31 54.36 1hqs n LYS 282 Cb 0.47 1.16 -0.08 0.00 -0.65 0.00 0.00 35.03 35.93 1hqs n LYS 282 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1hqs s ASP 283 N -2.98 0.20 -0.05 -5.58 -4.77 -1.26 -0.21 116.67 102.02 1hqs s ASP 283 Ca 0.10 -0.80 -0.05 0.00 -3.30 0.00 0.00 52.55 48.49 1hqs s ASP 283 Cb 0.00 0.32 0.01 0.00 -1.09 0.00 0.00 42.92 42.17 1hqs s ASP 283 CO 0.07 -0.73 0.14 -0.44 0.70 0.00 0.00 175.17 174.91 1hqs s SER 284 N -2.90 -0.12 0.02 2.11 0.01 0.12 -4.87 113.70 108.06 1hqs s SER 284 Ca 0.09 0.22 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 1hqs s SER 284 Cb 0.05 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 1hqs s SER 284 CO -0.08 -0.09 1.03 -0.63 0.41 0.00 0.00 173.24 173.88 1hqs s ILE 285 N -0.10 4.66 0.25 1.44 1.01 -1.26 -1.74 121.20 125.46 1hqs s ILE 285 Ca -0.02 1.93 -0.09 0.00 0.00 0.00 0.00 60.65 62.47 1hqs s ILE 285 Cb -0.02 -4.24 0.35 0.00 0.01 0.00 0.00 42.46 38.57 1hqs s ILE 285 CO 0.00 0.16 1.59 0.00 0.00 0.00 0.00 174.94 176.70 1hqs h ALA 286 N 6.71 0.65 -0.71 9.38 0.00 -0.61 -0.36 119.26 134.33 1hqs h ALA 286 Ca -0.41 0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1hqs h ALA 286 Cb 1.22 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1hqs h ALA 286 CO 0.76 -0.42 0.17 0.38 0.00 0.00 0.00 179.25 180.14 1hqs h ASP 287 N 0.02 1.07 -0.55 0.00 2.03 -1.93 -2.10 116.42 114.95 1hqs h ASP 287 Ca 0.42 -0.23 -0.08 0.00 -0.73 0.00 0.00 57.03 56.42 1hqs h ASP 287 Cb 0.69 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 1hqs h ASP 287 CO -0.84 1.02 0.03 0.40 -1.03 0.00 0.00 179.24 178.82 1hqs h ILE 288 N 1.07 1.26 -0.98 4.15 1.08 -1.75 -2.88 117.51 119.46 1hqs h ILE 288 Ca 0.22 -1.08 0.06 0.00 -0.39 0.00 0.00 64.86 63.67 1hqs h ILE 288 Cb 0.37 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 1hqs h ILE 288 CO 0.00 0.39 0.63 0.15 -0.69 0.00 0.00 178.15 178.63 1hqs h PHE 289 N 0.84 1.17 0.00 1.37 3.57 -0.79 0.38 116.94 123.49 1hqs h PHE 289 Ca 0.16 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1hqs h PHE 289 Cb 0.50 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1hqs h PHE 289 CO 0.04 0.63 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.66 1hqs h LEU 290 N 1.17 0.00 0.06 0.59 3.38 -1.16 -0.82 115.31 118.54 1hqs h LEU 290 Ca 0.41 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.13 1hqs h LEU 290 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1hqs h LEU 290 CO -0.16 0.01 -1.35 1.56 0.09 0.00 0.00 178.44 178.59 1hqs h GLN 291 N 0.00 0.13 0.00 1.13 4.20 -1.00 -3.39 115.11 116.18 1hqs h GLN 291 Ca -0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 1hqs h GLN 291 Cb 0.13 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1hqs h GLN 291 CO 0.00 1.11 -0.10 1.96 -0.67 0.00 0.00 178.83 181.13 1hqs h GLN 292 N -0.56 0.00 0.00 1.46 4.20 -0.66 -0.95 115.11 118.59 1hqs h GLN 292 Ca -0.32 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1hqs h GLN 292 Cb 1.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.35 1hqs h GLN 292 CO -0.05 0.10 -0.02 -0.84 -0.67 0.00 0.00 178.83 177.35 1hqs h ILE 293 N 0.00 0.06 0.08 2.54 3.07 -1.35 0.15 117.51 122.06 1hqs h ILE 293 Ca -0.00 -0.53 -0.33 0.00 1.55 0.00 0.00 64.86 65.54 1hqs h ILE 293 Cb 0.33 1.50 -0.03 0.00 -0.27 0.00 0.00 36.82 38.35 1hqs h ILE 293 CO 0.01 0.02 -1.85 0.18 -1.05 0.00 0.00 178.15 175.47 1hqs n LEU 294 N -3.13 2.43 -0.00 0.16 4.77 -0.44 -3.89 117.00 116.89 1hqs n LEU 294 Ca 0.00 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1hqs n LEU 294 Cb 0.30 -1.06 -0.14 0.00 -2.33 0.00 0.00 43.42 40.19 1hqs n LEU 294 CO 0.27 0.69 -0.44 0.71 -1.33 0.00 0.00 177.39 177.30 1hqs h THR 295 N -0.26 0.97 -1.39 -5.08 1.35 -1.25 -3.41 112.91 103.84 1hqs h THR 295 Ca -0.42 -2.78 -0.43 0.00 -0.55 0.00 0.00 66.41 62.23 1hqs h THR 295 Cb 1.82 2.52 -0.40 0.00 -1.73 0.00 0.00 68.15 70.35 1hqs h THR 295 CO -0.02 0.62 -1.12 0.54 -0.25 0.00 0.00 175.52 175.29 1hqs n ARG 296 N -3.16 1.47 0.21 4.72 1.74 0.51 -4.96 116.66 117.18 1hqs n ARG 296 Ca -0.16 -3.52 0.11 0.00 -0.77 0.00 0.00 57.85 53.52 1hqs n ARG 296 Cb 1.04 -1.53 0.67 0.00 -1.02 0.00 0.00 32.46 31.61 1hqs n ARG 296 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1hqs h PRO 297 N 2.95 0.00 0.00 5.56 0.13 -1.62 -2.20 132.00 136.81 1hqs h PRO 297 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1hqs h PRO 297 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1hqs h PRO 297 CO 0.56 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.60 1hqs n ASN 298 N -4.46 0.39 -0.03 1.44 0.23 -1.21 -1.92 115.26 109.70 1hqs n ASN 298 Ca -0.00 0.64 0.14 0.00 -0.53 0.00 0.00 54.58 54.83 1hqs n ASN 298 Cb 0.20 -0.71 0.56 0.00 -2.08 0.00 0.00 39.78 37.75 1hqs n ASN 298 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1hqs n GLU 299 N -1.99 0.22 -4.61 -3.83 1.02 -0.83 -4.86 120.64 105.76 1hqs n GLU 299 Ca 0.01 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.78 1hqs n GLU 299 Cb 0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 1hqs n GLU 299 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1hqs s PHE 300 N -2.82 2.64 0.00 -0.32 0.08 -0.81 -5.02 117.98 111.74 1hqs s PHE 300 Ca 0.19 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.04 1hqs s PHE 300 Cb 0.19 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 1hqs s PHE 300 CO 0.54 0.28 0.00 -3.47 -0.10 0.00 0.00 175.22 172.47 1hqs n ASP 301 N 1.55 0.00 -4.81 1.36 4.64 -1.26 -4.68 116.55 113.34 1hqs n ASP 301 Ca -0.16 0.00 -0.39 0.00 -1.38 0.00 0.00 54.79 52.87 1hqs n ASP 301 Cb 0.52 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.54 1hqs n ASP 301 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1hqs s VAL 302 N 0.60 4.73 -0.06 5.18 1.01 -0.71 -1.49 120.40 129.67 1hqs s VAL 302 Ca 0.00 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1hqs s VAL 302 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1hqs s VAL 302 CO 0.00 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 1hqs s VAL 303 N -1.12 1.39 -0.11 2.92 1.01 -0.19 -0.85 120.40 123.44 1hqs s VAL 303 Ca 0.29 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1hqs s VAL 303 Cb -0.19 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1hqs s VAL 303 CO 0.19 0.41 -0.23 0.00 0.00 0.00 0.00 175.10 175.47 1hqs s ALA 304 N 0.27 2.15 0.36 5.51 0.00 0.20 0.14 121.76 130.39 1hqs s ALA 304 Ca -0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1hqs s ALA 304 Cb -0.13 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.15 1hqs s ALA 304 CO 0.03 0.16 0.65 -0.08 0.00 0.00 0.00 175.76 176.52 1hqs s THR 305 N 0.54 0.00 0.84 0.00 -1.32 -0.46 -1.46 115.64 113.79 1hqs s THR 305 Ca -0.14 -1.25 -0.12 0.00 -1.21 0.00 0.00 61.69 58.97 1hqs s THR 305 Cb -0.17 -2.73 0.11 0.00 -1.51 0.00 0.00 72.50 68.20 1hqs s THR 305 CO 0.05 0.00 1.20 -0.04 -2.21 0.00 0.00 174.62 173.62 1hqs s MET 306 N -2.72 1.62 0.11 7.08 -1.94 -1.26 -1.19 119.30 121.00 1hqs s MET 306 Ca 0.21 -0.08 -0.32 0.00 -1.71 0.00 0.00 55.69 53.80 1hqs s MET 306 Cb -0.03 -1.95 -0.11 0.00 2.01 0.00 0.00 34.83 34.75 1hqs s MET 306 CO 0.15 -1.79 1.59 -0.97 -0.01 0.00 0.00 175.02 173.98 1hqs h ASN 307 N -1.17 -1.25 0.19 3.03 -0.73 -1.79 0.74 115.58 114.59 1hqs h ASN 307 Ca -0.45 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 57.84 1hqs h ASN 307 Cb 1.30 0.46 0.00 0.00 0.27 0.00 0.00 38.32 40.35 1hqs h ASN 307 CO 0.57 -0.51 -0.09 0.25 -0.37 0.00 0.00 177.43 177.29 1hqs h LEU 308 N -0.69 -0.21 -0.95 0.34 7.12 -1.90 -1.90 115.31 117.12 1hqs h LEU 308 Ca 0.01 -0.17 0.08 0.00 0.13 0.00 0.00 57.88 57.93 1hqs h LEU 308 Cb 0.70 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.81 1hqs h LEU 308 CO -0.22 0.06 0.59 0.78 -0.13 0.00 0.00 178.44 179.52 1hqs h ASN 309 N -0.49 0.92 -0.90 1.25 2.35 -1.95 -1.83 115.58 114.93 1hqs h ASN 309 Ca -0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1hqs h ASN 309 Cb 0.37 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1hqs h ASN 309 CO 0.04 0.55 0.54 1.23 -1.65 0.00 0.00 177.43 178.15 1hqs h GLY 310 N 1.03 1.30 1.00 2.83 0.00 -0.68 0.41 103.07 108.96 1hqs h GLY 310 Ca 0.43 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1hqs h GLY 310 CO -0.21 0.53 -0.06 -1.80 0.00 0.00 0.00 176.54 175.00 1hqs h ASP 311 N 1.24 -0.14 -0.25 0.19 -0.00 -0.52 -0.90 116.42 116.02 1hqs h ASP 311 Ca 0.32 0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 57.34 1hqs h ASP 311 Cb -0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 1hqs h ASP 311 CO -0.06 -0.10 0.08 1.88 -0.00 0.00 0.00 179.24 181.04 1hqs h TYR 312 N -0.17 0.41 -0.40 0.28 -1.99 -1.14 -2.82 116.97 111.14 1hqs h TYR 312 Ca -0.02 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1hqs h TYR 312 Cb 0.13 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1hqs h TYR 312 CO -0.07 0.46 0.17 0.82 -0.00 0.00 0.00 178.16 179.53 1hqs h ILE 313 N 0.24 1.19 -0.61 -2.88 2.04 -0.90 -1.05 117.51 115.55 1hqs h ILE 313 Ca 0.08 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1hqs h ILE 313 Cb 0.24 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1hqs h ILE 313 CO -0.00 0.21 0.37 0.28 0.00 0.00 0.00 178.15 179.01 1hqs h SER 314 N 0.50 0.60 -0.34 1.72 0.02 -1.15 0.15 113.55 115.05 1hqs h SER 314 Ca 0.13 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1hqs h SER 314 Cb 0.17 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1hqs h SER 314 CO -0.01 0.42 -0.25 0.44 -1.14 0.00 0.00 176.83 176.29 1hqs h ASP 315 N 0.73 0.81 -0.79 3.07 3.45 -1.38 -1.23 116.42 121.07 1hqs h ASP 315 Ca 0.24 -0.44 -0.01 0.00 0.43 0.00 0.00 57.03 57.25 1hqs h ASP 315 Cb 0.03 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.53 1hqs h ASP 315 CO -0.10 1.07 0.46 0.00 -1.57 0.00 0.00 179.24 179.10 1hqs h ALA 316 N 0.76 1.02 -0.41 3.45 0.00 -0.89 -1.85 119.26 121.32 1hqs h ALA 316 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1hqs h ALA 316 Cb 0.81 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1hqs h ALA 316 CO 0.07 0.50 -0.04 -0.07 0.00 0.00 0.00 179.25 179.71 1hqs h LEU 317 N 1.10 0.75 -1.09 0.00 3.38 -0.85 -2.70 115.31 115.89 1hqs h LEU 317 Ca 0.28 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1hqs h LEU 317 Cb -0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1hqs h LEU 317 CO -0.05 0.91 0.46 0.00 0.09 0.00 0.00 178.44 179.85 1hqs h ALA 318 N 0.87 1.31 -0.40 1.53 0.00 -0.96 -2.18 119.26 119.43 1hqs h ALA 318 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1hqs h ALA 318 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1hqs h ALA 318 CO 0.03 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 1hqs h ALA 319 N 1.41 1.14 -0.80 0.00 0.00 -1.19 0.19 119.26 120.00 1hqs h ALA 319 Ca 0.28 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1hqs h ALA 319 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1hqs h ALA 319 CO -0.05 0.55 0.52 0.37 0.00 0.00 0.00 179.25 180.64 1hqs h GLN 320 N 0.63 1.02 -0.40 0.00 4.15 -1.07 -1.70 115.11 117.74 1hqs h GLN 320 Ca 0.12 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1hqs h GLN 320 Cb 0.49 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1hqs h GLN 320 CO 0.03 0.67 0.00 1.33 -1.93 0.00 0.00 178.83 178.93 1hqs n VAL 321 N -4.55 0.53 -1.53 2.39 0.24 -1.13 -4.32 118.33 109.97 1hqs n VAL 321 Ca 0.09 -0.60 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 1hqs n VAL 321 Cb 0.05 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 1hqs n VAL 321 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hqs n GLY 322 N 1.27 0.78 1.93 7.63 0.00 -0.64 -4.75 105.19 111.42 1hqs n GLY 322 Ca 0.17 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1hqs n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqs n GLY 323 N -1.61 5.08 0.37 -0.02 0.00 0.64 -4.72 105.19 104.93 1hqs n GLY 323 Ca -0.10 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.47 1hqs n GLY 323 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1hqs h ILE 324 N 1.10 0.96 -0.62 -0.61 -0.00 -1.87 -1.96 117.51 114.50 1hqs h ILE 324 Ca 0.49 -0.30 0.00 0.00 -0.00 0.00 0.00 64.86 65.05 1hqs h ILE 324 Cb 1.96 0.01 0.00 0.00 -0.00 0.00 0.00 36.82 38.79 1hqs h ILE 324 CO 0.98 0.16 0.00 0.61 -0.00 0.00 0.00 178.15 179.90 1hqs n GLY 325 N -1.41 2.53 0.00 0.16 0.00 -1.26 -4.44 105.19 100.77 1hqs n GLY 325 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1hqs n GLY 325 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hqs n ILE 326 N 1.35 0.31 -2.24 -0.61 -5.35 -0.93 -3.83 119.36 108.06 1hqs n ILE 326 Ca 0.21 -0.36 -0.42 0.00 -0.27 0.00 0.00 62.75 61.91 1hqs n ILE 326 Cb 0.57 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 1hqs n ILE 326 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1hqs s ALA 327 N -0.31 3.55 0.48 -1.28 0.00 -0.78 -3.96 121.76 119.45 1hqs s ALA 327 Ca 0.00 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 1hqs s ALA 327 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1hqs s ALA 327 CO 0.00 -0.67 0.80 -1.25 0.00 0.00 0.00 175.76 174.64 1hqs s PRO 328 N 1.50 3.59 0.04 0.00 0.04 -1.26 -3.93 135.00 134.97 1hqs s PRO 328 Ca 0.63 0.29 -0.18 0.00 0.04 0.00 0.00 61.00 61.78 1hqs s PRO 328 Cb -0.34 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 31.88 1hqs s PRO 328 CO 0.29 -0.20 0.40 0.20 0.04 0.00 0.00 177.00 177.73 1hqs s GLY 329 N -3.94 -0.25 -0.05 0.56 0.00 -1.21 -4.38 107.32 98.05 1hqs s GLY 329 Ca 0.49 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 45.45 1hqs s GLY 329 CO 0.43 0.02 0.12 0.00 0.00 0.00 0.00 173.10 173.68 1hqs s ALA 330 N -2.45 -0.28 -0.28 3.20 0.00 -0.79 -1.58 121.76 119.58 1hqs s ALA 330 Ca -0.05 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 1hqs s ALA 330 Cb -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1hqs s ALA 330 CO -0.02 -0.08 0.04 -0.80 0.00 0.00 0.00 175.76 174.90 1hqs s ASN 331 N 0.35 4.92 -0.02 0.00 0.01 0.93 -0.26 114.94 120.86 1hqs s ASN 331 Ca -0.02 -0.69 0.03 0.00 -0.71 0.00 0.00 52.86 51.46 1hqs s ASN 331 Cb -0.04 -1.83 -0.00 0.00 0.41 0.00 0.00 41.25 39.79 1hqs s ASN 331 CO -0.01 -0.16 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.69 1hqs s ILE 332 N 1.47 0.85 -0.43 0.60 1.01 0.45 -0.20 121.20 124.94 1hqs s ILE 332 Ca 0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1hqs s ILE 332 Cb -0.17 -0.73 0.09 0.00 0.01 0.00 0.00 42.46 41.66 1hqs s ILE 332 CO 0.01 0.25 0.28 0.21 0.00 0.00 0.00 174.94 175.69 1hqs s ASN 333 N -0.00 5.67 0.07 3.58 3.84 -0.15 -1.40 114.94 126.55 1hqs s ASN 333 Ca -0.00 -1.60 0.18 0.00 0.21 0.00 0.00 52.86 51.65 1hqs s ASN 333 Cb -0.07 -2.00 0.74 0.00 -0.55 0.00 0.00 41.25 39.37 1hqs s ASN 333 CO 0.00 -0.58 1.55 -1.22 -2.79 0.00 0.00 177.10 174.06 1hqs n TYR 334 N 4.92 0.23 0.00 0.43 4.02 -1.26 -1.93 117.16 123.57 1hqs n TYR 334 Ca -0.10 0.09 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 1hqs n TYR 334 Cb 0.42 -0.64 -0.14 0.00 -0.02 0.00 0.00 39.34 38.96 1hqs n TYR 334 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1hqs h GLU 335 N 0.00 0.10 -0.01 -0.72 5.08 -1.93 -3.40 114.58 113.71 1hqs h GLU 335 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1hqs h GLU 335 Cb 0.29 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1hqs h GLU 335 CO 0.00 0.79 -0.21 0.25 -1.00 0.00 0.00 179.01 178.85 1hqs n THR 336 N -3.23 0.00 -0.29 1.13 -2.24 -1.18 -2.91 114.28 105.56 1hqs n THR 336 Ca -0.20 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1hqs n THR 336 Cb 1.04 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 70.49 1hqs n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqs n GLY 337 N 1.00 2.29 3.79 3.38 0.00 -0.81 -4.72 105.19 110.12 1hqs n GLY 337 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1hqs n GLY 337 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hqs s HIS 338 N -3.24 3.23 -0.20 1.61 3.76 -1.23 -4.72 115.29 114.50 1hqs s HIS 338 Ca 0.00 1.63 -0.27 0.00 -0.15 0.00 0.00 55.06 56.27 1hqs s HIS 338 Cb 0.00 -3.08 0.10 0.00 1.11 0.00 0.00 32.58 30.70 1hqs s HIS 338 CO 0.00 -0.59 0.86 0.00 -0.85 0.00 0.00 174.74 174.16 1hqs s ALA 339 N -1.76 -1.87 -0.13 -1.40 0.00 -0.14 -0.98 121.76 115.48 1hqs s ALA 339 Ca 0.60 1.74 -0.00 0.00 0.00 0.00 0.00 51.96 54.30 1hqs s ALA 339 Cb -0.20 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1hqs s ALA 339 CO 0.25 -0.31 -0.10 0.42 0.00 0.00 0.00 175.76 176.02 1hqs s ILE 340 N -0.29 1.24 -0.11 0.00 1.01 0.72 -1.45 121.20 122.31 1hqs s ILE 340 Ca -0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1hqs s ILE 340 Cb -0.03 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1hqs s ILE 340 CO 0.01 0.39 0.28 -0.36 0.00 0.00 0.00 174.94 175.26 1hqs s PHE 341 N 1.62 3.56 0.14 3.97 0.40 0.11 -0.05 117.98 127.73 1hqs s PHE 341 Ca 0.05 0.68 -0.10 0.00 -0.60 0.00 0.00 56.93 56.96 1hqs s PHE 341 Cb -0.13 -2.22 -0.00 0.00 0.51 0.00 0.00 43.02 41.18 1hqs s PHE 341 CO -0.09 0.47 0.27 -1.83 0.70 0.00 0.00 175.22 174.74 1hqs s GLU 342 N -0.31 1.06 0.17 0.44 -1.05 -0.62 -0.34 118.70 118.06 1hqs s GLU 342 Ca 0.18 -1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 1hqs s GLU 342 Cb -0.14 0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 33.85 1hqs s GLU 342 CO 0.06 -0.38 1.29 0.00 0.95 0.00 0.00 175.26 177.18 1hqs s ALA 343 N -3.92 3.51 -1.65 -0.84 0.00 -0.57 -3.29 121.76 114.99 1hqs s ALA 343 Ca 0.12 1.06 0.24 0.00 0.00 0.00 0.00 51.96 53.38 1hqs s ALA 343 Cb 0.04 -3.47 0.22 0.00 0.00 0.00 0.00 23.12 19.90 1hqs s ALA 343 CO -0.04 -0.51 1.22 0.25 0.00 0.00 0.00 175.76 176.68 1hqs n THR 344 N 2.94 0.00 -2.64 0.00 -2.24 -1.25 -4.70 114.28 106.38 1hqs n THR 344 Ca 0.07 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 1hqs n THR 344 Cb 0.43 0.86 0.09 0.00 -2.10 0.00 0.00 70.33 69.61 1hqs n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqs n HIS 345 N -0.63 -2.90 -2.24 4.78 1.44 -1.26 -5.07 115.22 109.33 1hqs n HIS 345 Ca 0.09 -1.46 -0.27 0.00 -2.01 0.00 0.00 57.72 54.06 1hqs n HIS 345 Cb 0.40 -0.55 0.16 0.00 0.12 0.00 0.00 29.99 30.12 1hqs n HIS 345 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1hqs s GLY 346 N -4.45 1.78 0.01 -1.39 0.00 -1.26 -4.73 107.32 97.28 1hqs s GLY 346 Ca 0.52 -1.53 0.22 0.00 0.00 0.00 0.00 44.72 43.93 1hqs s GLY 346 CO 0.34 -0.81 1.72 -1.30 0.00 0.00 0.00 173.10 173.04 1hqs n THR 347 N -3.40 0.48 -3.82 0.90 -2.24 -1.26 -4.85 114.28 100.09 1hqs n THR 347 Ca 0.16 0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.87 1hqs n THR 347 Cb 0.60 -0.74 0.01 0.00 -2.10 0.00 0.00 70.33 68.10 1hqs n THR 347 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqs n ALA 348 N -1.51 -1.62 -0.35 6.98 0.00 -1.26 -1.05 120.51 121.69 1hqs n ALA 348 Ca 0.05 -0.22 0.16 0.00 0.00 0.00 0.00 53.44 53.43 1hqs n ALA 348 Cb 0.26 -0.93 0.36 0.00 0.00 0.00 0.00 19.45 19.15 1hqs n ALA 348 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hqs h PRO 349 N 0.89 0.63 -1.00 0.00 0.13 -1.92 -2.95 132.00 127.79 1hqs h PRO 349 Ca -0.27 -0.04 0.38 0.00 -0.87 0.00 0.00 66.00 65.20 1hqs h PRO 349 Cb 0.54 -0.14 -0.18 0.00 0.13 0.00 0.00 31.00 31.34 1hqs h PRO 349 CO 0.19 0.42 0.42 0.87 -0.23 0.00 0.00 178.00 179.68 1hqs h LYS 350 N 0.65 0.01 -0.59 0.86 1.57 -1.99 0.60 116.57 117.67 1hqs h LYS 350 Ca 0.62 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1hqs h LYS 350 Cb 1.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1hqs h LYS 350 CO -0.43 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.11 1hqs n TYR 351 N -5.31 0.78 -1.68 -1.35 4.02 -1.11 -4.94 117.16 107.58 1hqs n TYR 351 Ca 0.35 -0.39 -0.51 0.00 -0.01 0.00 0.00 57.90 57.33 1hqs n TYR 351 Cb 1.16 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.43 1hqs n TYR 351 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hqs n ALA 352 N 1.41 0.33 -0.55 -0.72 0.00 0.21 -0.96 120.51 120.22 1hqs n ALA 352 Ca 0.21 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1hqs n ALA 352 Cb 0.56 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1hqs n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqs n GLY 353 N 3.89 1.83 0.06 0.00 0.00 -1.26 -4.87 105.19 104.85 1hqs n GLY 353 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1hqs n GLY 353 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqs n LEU 354 N 0.00 0.34 -3.66 0.99 4.77 -0.14 -4.95 117.00 114.36 1hqs n LEU 354 Ca 0.00 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1hqs n LEU 354 Cb 0.00 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1hqs n LEU 354 CO 0.00 0.07 0.17 -0.67 -1.33 0.00 0.00 177.39 175.63 1hqs n ASP 355 N -1.19 -4.92 0.00 -1.43 2.03 -1.26 -4.89 116.55 104.90 1hqs n ASP 355 Ca 0.11 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1hqs n ASP 355 Cb 0.30 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.01 1hqs n ASP 355 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1hqs n LYS 356 N -4.74 2.64 -1.83 -0.67 2.85 -1.26 -0.82 118.16 114.32 1hqs n LYS 356 Ca -0.05 -0.09 -0.37 0.00 -1.05 0.00 0.00 58.31 56.75 1hqs n LYS 356 Cb 0.58 -0.44 0.06 0.00 -0.65 0.00 0.00 35.03 34.58 1hqs n LYS 356 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1hqs s VAL 357 N -0.40 2.22 -0.28 0.58 0.11 -1.26 -4.12 120.40 117.25 1hqs s VAL 357 Ca 0.00 0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 1hqs s VAL 357 Cb 0.00 -3.06 0.01 0.00 -1.53 0.00 0.00 36.38 31.80 1hqs s VAL 357 CO 0.00 -0.03 0.93 0.21 -3.33 0.00 0.00 175.10 172.88 1hqs s ASN 358 N -1.42 6.87 0.00 3.54 3.84 -1.26 -4.24 114.94 122.27 1hqs s ASN 358 Ca 0.80 1.00 0.28 0.00 0.21 0.00 0.00 52.86 55.15 1hqs s ASN 358 Cb -0.36 -2.48 1.35 0.00 -0.55 0.00 0.00 41.25 39.21 1hqs s ASN 358 CO 0.38 -0.68 1.90 -0.81 -2.79 0.00 0.00 177.10 175.11 1hqs n PRO 359 N 6.37 1.36 -0.22 0.43 -0.04 -1.26 -4.47 135.00 137.16 1hqs n PRO 359 Ca 0.08 -0.53 0.11 0.00 -0.04 0.00 0.00 63.50 63.12 1hqs n PRO 359 Cb 0.47 -1.46 0.40 0.00 -0.04 0.00 0.00 33.50 32.87 1hqs n PRO 359 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1hqs h SER 360 N 1.23 0.60 -0.11 3.54 0.02 -1.91 -1.71 113.55 115.21 1hqs h SER 360 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1hqs h SER 360 Cb 0.26 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1hqs h SER 360 CO 0.00 0.34 0.06 -1.28 -1.14 0.00 0.00 176.83 174.81 1hqs h SER 361 N 0.66 0.14 -0.39 3.07 0.87 -1.69 0.19 113.55 116.40 1hqs h SER 361 Ca 0.39 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.77 1hqs h SER 361 Cb 0.60 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1hqs h SER 361 CO -0.15 0.17 -0.17 0.58 -0.53 0.00 0.00 176.83 176.72 1hqs h VAL 362 N 0.10 1.27 -0.38 2.23 2.07 -1.78 -0.83 116.25 118.92 1hqs h VAL 362 Ca 0.04 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1hqs h VAL 362 Cb 0.06 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1hqs h VAL 362 CO -0.01 0.44 0.19 0.40 0.02 0.00 0.00 177.57 178.62 1hqs h ILE 363 N 0.76 1.16 -0.05 4.57 2.04 -1.05 -0.11 117.51 124.84 1hqs h ILE 363 Ca 0.11 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 1hqs h ILE 363 Cb 0.70 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1hqs h ILE 363 CO 0.05 0.17 -0.43 -0.07 0.00 0.00 0.00 178.15 177.87 1hqs h LEU 364 N 0.48 0.11 -1.03 1.44 3.38 -0.49 -1.50 115.31 117.69 1hqs h LEU 364 Ca 0.13 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1hqs h LEU 364 Cb 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1hqs h LEU 364 CO -0.02 0.53 -0.48 0.28 0.09 0.00 0.00 178.44 178.84 1hqs h SER 365 N 0.08 0.00 0.30 -0.43 0.02 -0.81 -1.94 113.55 110.77 1hqs h SER 365 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1hqs h SER 365 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1hqs h SER 365 CO 0.06 0.48 -0.42 1.23 -1.14 0.00 0.00 176.83 177.04 1hqs h GLY 366 N 1.47 0.18 1.01 -3.77 0.00 -0.18 -0.90 103.07 100.87 1hqs h GLY 366 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1hqs h GLY 366 CO 0.06 0.15 0.24 -2.08 0.00 0.00 0.00 176.54 174.92 1hqs h VAL 367 N 0.14 1.24 -0.58 4.60 2.07 -0.55 0.50 116.25 123.66 1hqs h VAL 367 Ca 0.01 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1hqs h VAL 367 Cb 0.81 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1hqs h VAL 367 CO 0.06 0.29 0.05 -0.07 0.02 0.00 0.00 177.57 177.92 1hqs h LEU 368 N 0.89 0.94 -0.02 2.57 3.38 -0.95 -1.18 115.31 120.95 1hqs h LEU 368 Ca 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1hqs h LEU 368 Cb 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1hqs h LEU 368 CO -0.02 0.97 0.01 0.25 0.09 0.00 0.00 178.44 179.75 1hqs h LEU 369 N 0.91 0.02 -0.85 1.67 6.46 -0.64 0.02 115.31 122.90 1hqs h LEU 369 Ca 0.18 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1hqs h LEU 369 Cb 0.47 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 1hqs h LEU 369 CO 0.02 0.04 0.55 -0.07 -0.62 0.00 0.00 178.44 178.36 1hqs h LEU 370 N 0.01 0.92 -0.79 2.25 3.38 -0.70 -0.73 115.31 119.64 1hqs h LEU 370 Ca 0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1hqs h LEU 370 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1hqs h LEU 370 CO -0.00 0.63 0.03 -0.33 0.09 0.00 0.00 178.44 178.86 1hqs h GLU 371 N 1.08 0.94 -0.08 1.13 5.08 -0.93 0.05 114.58 121.85 1hqs h GLU 371 Ca 0.34 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1hqs h GLU 371 Cb -0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1hqs h GLU 371 CO -0.11 0.91 -0.21 1.25 -1.00 0.00 0.00 179.01 179.85 1hqs h HIS 372 N 0.87 0.13 0.00 4.33 2.76 -0.06 -0.56 115.15 122.63 1hqs h HIS 372 Ca 0.17 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1hqs h HIS 372 Cb 0.47 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1hqs h HIS 372 CO 0.03 0.33 -0.03 1.28 -1.30 0.00 0.00 177.93 178.24 1hqs n LEU 373 N -4.24 0.67 0.00 0.26 4.77 -0.37 -4.91 117.00 113.18 1hqs n LEU 373 Ca -0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1hqs n LEU 373 Cb 0.30 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1hqs n LEU 373 CO 0.38 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1hqs n GLY 374 N 1.34 0.75 2.61 -0.72 0.00 -0.22 -4.89 105.19 104.06 1hqs n GLY 374 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1hqs n GLY 374 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hqs n TRP 375 N -2.40 2.68 0.01 1.61 7.02 -0.08 -4.77 117.44 121.52 1hqs n TRP 375 Ca 0.00 -2.80 -0.01 0.00 -1.02 0.00 0.00 57.50 53.67 1hqs n TRP 375 Cb 0.00 -1.85 0.27 0.00 -2.42 0.00 0.00 31.31 27.31 1hqs n TRP 375 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1hqs h ASN 376 N 4.96 0.47 -0.55 -0.99 2.35 -1.88 -1.90 115.58 118.03 1hqs h ASN 376 Ca 0.60 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 56.18 1hqs h ASN 376 Cb 0.41 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1hqs h ASN 376 CO 1.52 0.61 0.14 -0.33 -1.65 0.00 0.00 177.43 177.72 1hqs h GLU 377 N 0.46 0.92 -0.17 0.81 3.07 -1.96 0.18 114.58 117.90 1hqs h GLU 377 Ca 0.09 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 1hqs h GLU 377 Cb 0.45 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1hqs h GLU 377 CO 0.02 0.83 -0.14 0.00 -1.40 0.00 0.00 179.01 178.32 1hqs h ALA 378 N 1.27 0.24 -0.52 3.43 0.00 -1.76 -2.63 119.26 119.29 1hqs h ALA 378 Ca 0.19 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1hqs h ALA 378 Cb 0.32 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1hqs h ALA 378 CO -0.00 0.11 0.22 0.00 0.00 0.00 0.00 179.25 179.58 1hqs h ALA 379 N 0.64 0.66 -0.10 0.00 0.00 -0.85 -1.73 119.26 117.88 1hqs h ALA 379 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1hqs h ALA 379 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1hqs h ALA 379 CO 0.04 -0.17 -0.15 -0.44 0.00 0.00 0.00 179.25 178.53 1hqs h ASP 380 N 0.41 0.15 -0.50 0.00 3.32 -0.64 -1.92 116.42 117.24 1hqs h ASP 380 Ca 0.25 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1hqs h ASP 380 Cb 0.24 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1hqs h ASP 380 CO -0.23 0.32 0.16 0.25 -1.72 0.00 0.00 179.24 178.02 1hqs h LEU 381 N 0.15 0.72 -0.19 1.55 5.85 -0.93 -0.85 115.31 121.62 1hqs h LEU 381 Ca 0.03 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1hqs h LEU 381 Cb 0.36 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1hqs h LEU 381 CO 0.02 0.73 -0.02 0.58 -0.34 0.00 0.00 178.44 179.41 1hqs h VAL 382 N 0.68 1.27 -0.12 1.05 2.07 -1.11 -1.63 116.25 118.45 1hqs h VAL 382 Ca 0.16 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1hqs h VAL 382 Cb 0.26 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1hqs h VAL 382 CO -0.01 0.28 0.05 0.40 0.02 0.00 0.00 177.57 178.31 1hqs h ILE 383 N 0.08 0.98 -0.65 4.57 2.04 -1.24 0.56 117.51 123.85 1hqs h ILE 383 Ca 0.05 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1hqs h ILE 383 Cb 0.43 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1hqs h ILE 383 CO 0.01 0.02 0.40 0.11 0.00 0.00 0.00 178.15 178.70 1hqs h LYS 384 N 0.11 0.87 -0.62 2.37 1.79 -1.16 -0.69 116.57 119.25 1hqs h LYS 384 Ca 0.05 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1hqs h LYS 384 Cb 0.02 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1hqs h LYS 384 CO -0.05 0.61 0.10 1.03 -1.08 0.00 0.00 179.45 180.07 1hqs h SER 385 N 0.88 0.98 -0.50 0.86 0.87 -0.95 -1.89 113.55 113.79 1hqs h SER 385 Ca 0.23 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1hqs h SER 385 Cb -0.04 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 1hqs h SER 385 CO -0.05 0.99 0.29 -0.03 -0.53 0.00 0.00 176.83 177.51 1hqs h MET 386 N 0.93 0.57 -0.15 2.24 1.85 -0.48 0.55 114.93 120.43 1hqs h MET 386 Ca 0.19 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1hqs h MET 386 Cb 0.43 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 1hqs h MET 386 CO 0.01 0.37 0.05 0.93 -0.40 0.00 0.00 176.91 177.88 1hqs h GLU 387 N 0.58 0.12 -0.34 0.39 5.08 -0.88 -1.10 114.58 118.44 1hqs h GLU 387 Ca 0.20 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1hqs h GLU 387 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1hqs h GLU 387 CO -0.10 0.08 0.01 0.87 -1.00 0.00 0.00 179.01 178.87 1hqs h LYS 388 N 0.13 0.59 -0.34 2.33 1.79 -1.10 -1.79 116.57 118.17 1hqs h LYS 388 Ca 0.07 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1hqs h LYS 388 Cb 0.04 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1hqs h LYS 388 CO -0.07 0.71 0.13 1.15 -1.08 0.00 0.00 179.45 180.28 1hqs h THR 389 N 0.40 1.19 -0.39 -0.16 2.02 -0.79 -0.19 112.91 114.99 1hqs h THR 389 Ca 0.10 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 1hqs h THR 389 Cb 0.44 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1hqs h THR 389 CO 0.02 0.21 0.09 0.40 0.37 0.00 0.00 175.52 176.61 1hqs h ILE 390 N 0.41 1.23 0.00 3.11 2.04 -1.21 -2.30 117.51 120.78 1hqs h ILE 390 Ca 0.11 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1hqs h ILE 390 Cb 0.21 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1hqs h ILE 390 CO -0.01 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.37 1hqs h ALA 391 N 0.94 1.13 0.00 1.87 0.00 -1.12 -1.52 119.26 120.56 1hqs h ALA 391 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1hqs h ALA 391 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hqs h ALA 391 CO 0.00 0.05 -0.16 0.66 0.00 0.00 0.00 179.25 179.80 1hqs h SER 392 N 0.00 0.00 -0.08 0.00 4.64 -0.46 -3.48 113.55 114.17 1hqs h SER 392 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1hqs h SER 392 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1hqs h SER 392 CO 0.01 0.08 -0.03 0.29 -0.87 0.00 0.00 176.83 176.31 1hqs n LYS 393 N -3.09 -0.10 -3.22 4.77 5.02 -0.57 -4.90 118.16 116.07 1hqs n LYS 393 Ca 0.03 0.52 -0.46 0.00 -2.02 0.00 0.00 58.31 56.38 1hqs n LYS 393 Cb 0.56 -4.08 -0.03 0.00 -0.02 0.00 0.00 35.03 31.47 1hqs n LYS 393 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqs s VAL 394 N -2.05 5.29 0.19 -0.18 1.01 -1.23 -1.11 120.40 122.32 1hqs s VAL 394 Ca 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 59.99 1hqs s VAL 394 Cb 0.00 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1hqs s VAL 394 CO 0.00 -1.12 0.06 0.68 0.00 0.00 0.00 175.10 174.72 1hqs s VAL 395 N 1.15 0.42 0.93 2.92 -7.23 -1.12 -4.70 120.40 112.76 1hqs s VAL 395 Ca 0.18 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1hqs s VAL 395 Cb -0.13 -2.29 0.15 0.00 0.56 0.00 0.00 36.38 34.67 1hqs s VAL 395 CO -0.06 -0.29 1.09 0.42 -0.31 0.00 0.00 175.10 175.96 1hqs s THR 396 N -3.84 2.50 0.28 5.32 -4.23 -1.26 -0.98 115.64 113.43 1hqs s THR 396 Ca 0.30 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 1hqs s THR 396 Cb 0.07 -2.62 0.27 0.00 1.34 0.00 0.00 72.50 71.56 1hqs s THR 396 CO 0.07 -0.21 1.70 0.10 -0.54 0.00 0.00 174.62 175.74 1hqs h TYR 397 N -1.67 0.61 -0.69 3.99 -0.00 -1.72 -1.91 116.97 115.58 1hqs h TYR 397 Ca -0.51 0.04 0.11 0.00 0.00 0.00 0.00 58.73 58.38 1hqs h TYR 397 Cb 1.29 -0.14 -0.04 0.00 0.00 0.00 0.00 36.73 37.84 1hqs h TYR 397 CO 0.39 -0.02 0.46 0.38 -0.00 0.00 0.00 178.16 179.38 1hqs h ASP 398 N 0.41 0.44 0.04 0.10 2.03 -1.92 -1.76 116.42 115.77 1hqs h ASP 398 Ca 0.53 0.01 -0.24 0.00 -0.73 0.00 0.00 57.03 56.60 1hqs h ASP 398 Cb 0.95 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.35 1hqs h ASP 398 CO -0.50 0.25 -1.30 -0.26 -1.03 0.00 0.00 179.24 176.40 1hqs h PHE 399 N 0.48 0.16 -0.64 4.15 0.04 -1.79 -3.39 116.94 115.96 1hqs h PHE 399 Ca 0.33 -0.12 0.13 0.00 2.80 0.00 0.00 57.97 61.10 1hqs h PHE 399 Cb 0.62 -0.01 -0.12 0.00 2.20 0.00 0.00 35.95 38.64 1hqs h PHE 399 CO -0.00 1.51 -0.20 0.00 -0.60 0.00 0.00 178.31 179.02 1hqs h ALA 400 N -0.27 0.34 0.00 2.45 0.00 -1.05 0.16 119.26 120.89 1hqs h ALA 400 Ca -0.32 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hqs h ALA 400 Cb 1.48 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1hqs h ALA 400 CO -0.09 -0.47 0.00 2.89 0.00 0.00 0.00 179.25 181.58 1hqs n ARG 401 N -5.45 0.16 -0.00 0.00 1.85 -0.69 -1.84 116.66 110.69 1hqs n ARG 401 Ca 0.07 0.18 0.06 0.00 -1.00 0.00 0.00 57.85 57.16 1hqs n ARG 401 Cb 0.34 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.16 1hqs n ARG 401 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1hqs n LEU 402 N -1.28 0.21 -4.93 2.89 4.77 0.51 -5.01 117.00 114.16 1hqs n LEU 402 Ca 0.05 -0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 1hqs n LEU 402 Cb 0.09 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1hqs n LEU 402 CO 0.08 0.05 0.02 -0.04 -1.33 0.00 0.00 177.39 176.17 1hqs s MET 403 N -2.67 2.82 -0.16 3.23 -1.94 -0.77 -4.92 119.30 114.90 1hqs s MET 403 Ca -0.01 -1.25 -0.05 0.00 -1.71 0.00 0.00 55.69 52.66 1hqs s MET 403 Cb 0.09 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.29 1hqs s MET 403 CO 0.54 -0.04 0.02 -0.51 -0.01 0.00 0.00 175.02 175.02 1hqs s ASP 404 N -4.14 5.26 -0.82 3.03 1.11 -1.26 -4.50 116.67 115.34 1hqs s ASP 404 Ca 0.46 0.01 -0.02 0.00 0.18 0.00 0.00 52.55 53.19 1hqs s ASP 404 Cb -0.07 -1.83 0.00 0.00 1.07 0.00 0.00 42.92 42.09 1hqs s ASP 404 CO 0.29 0.20 0.20 0.61 1.18 0.00 0.00 175.17 177.65 1hqs n GLY 405 N 3.34 0.03 3.88 0.21 0.00 -1.26 -5.02 105.19 106.38 1hqs n GLY 405 Ca -0.17 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1hqs n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqs s ALA 406 N -2.74 3.51 -0.71 4.61 0.00 -1.26 -4.99 121.76 120.18 1hqs s ALA 406 Ca 0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 1hqs s ALA 406 Cb -0.04 -2.49 0.18 0.00 0.00 0.00 0.00 23.12 20.77 1hqs s ALA 406 CO 0.12 0.25 0.59 0.99 0.00 0.00 0.00 175.76 177.71 1hqs s THR 407 N -2.08 4.66 0.16 0.00 2.01 -0.26 -5.04 115.64 115.09 1hqs s THR 407 Ca 0.48 -2.62 -0.32 0.00 0.31 0.00 0.00 61.69 59.54 1hqs s THR 407 Cb -0.11 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 1hqs s THR 407 CO 0.27 -0.94 1.72 -0.70 -0.69 0.00 0.00 174.62 174.28 1hqs s GLU 408 N 0.18 4.15 0.25 4.92 2.12 -1.26 -2.80 118.70 126.26 1hqs s GLU 408 Ca 0.16 2.53 0.06 0.00 0.36 0.00 0.00 54.97 58.08 1hqs s GLU 408 Cb -0.16 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1hqs s GLU 408 CO -0.06 -0.75 -0.06 0.14 -0.54 0.00 0.00 175.26 174.00 1hqs s VAL 409 N 1.76 1.45 0.81 3.70 -7.23 -0.16 -4.94 120.40 115.79 1hqs s VAL 409 Ca 0.76 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 1hqs s VAL 409 Cb -0.47 -2.33 0.08 0.00 0.56 0.00 0.00 36.38 34.22 1hqs s VAL 409 CO 0.33 -0.37 1.12 -0.54 -0.31 0.00 0.00 175.10 175.33 1hqs s LYS 410 N -3.76 1.98 0.12 4.82 1.02 -1.26 -4.13 119.74 118.53 1hqs s LYS 410 Ca 0.27 0.42 -0.24 0.00 0.02 0.00 0.00 55.97 56.45 1hqs s LYS 410 Cb 0.04 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1hqs s LYS 410 CO 0.10 -1.64 1.66 0.00 -0.92 0.00 0.00 175.35 174.54 1hqs h SER 412 N -0.29 1.13 -0.66 0.00 4.64 -1.88 -1.62 113.55 114.86 1hqs h SER 412 Ca 0.06 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1hqs h SER 412 Cb 0.37 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1hqs h SER 412 CO -0.17 0.92 0.25 -0.33 -0.87 0.00 0.00 176.83 176.62 1hqs h GLU 413 N 1.25 1.01 -0.84 4.77 5.08 -1.81 -0.95 114.58 123.07 1hqs h GLU 413 Ca 0.31 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1hqs h GLU 413 Cb 0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1hqs h GLU 413 CO -0.05 0.85 0.41 0.35 -1.00 0.00 0.00 179.01 179.58 1hqs h PHE 414 N 0.95 1.20 -0.70 4.33 3.57 -0.54 0.88 116.94 126.64 1hqs h PHE 414 Ca 0.22 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1hqs h PHE 414 Cb 0.24 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1hqs h PHE 414 CO 0.02 0.87 0.42 0.78 -2.23 0.00 0.00 178.31 178.16 1hqs h GLY 415 N 1.19 1.01 1.04 2.40 0.00 -0.83 -1.22 103.07 106.67 1hqs h GLY 415 Ca 0.29 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1hqs h GLY 415 CO -0.04 0.41 0.23 0.83 0.00 0.00 0.00 176.54 177.97 1hqs h GLU 416 N 0.95 1.10 -0.82 4.80 5.08 -0.38 -2.23 114.58 123.08 1hqs h GLU 416 Ca 0.25 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1hqs h GLU 416 Cb -0.02 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1hqs h GLU 416 CO -0.05 0.94 0.43 1.49 -1.00 0.00 0.00 179.01 180.83 1hqs h GLU 417 N 1.04 1.15 -0.47 2.33 4.57 -0.37 0.02 114.58 122.85 1hqs h GLU 417 Ca 0.23 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1hqs h GLU 417 Cb 0.30 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1hqs h GLU 417 CO -0.01 0.86 0.30 -0.07 -1.18 0.00 0.00 179.01 178.91 1hqs h LEU 418 N 1.14 0.55 -0.28 1.64 3.38 -0.86 0.12 115.31 121.01 1hqs h LEU 418 Ca 0.29 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1hqs h LEU 418 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1hqs h LEU 418 CO -0.04 0.43 0.09 0.40 0.09 0.00 0.00 178.44 179.40 1hqs h ILE 419 N 0.63 1.20 -0.58 1.22 2.04 -1.08 -2.33 117.51 118.61 1hqs h ILE 419 Ca 0.17 -0.64 0.10 0.00 1.00 0.00 0.00 64.86 65.49 1hqs h ILE 419 Cb -0.04 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 1hqs h ILE 419 CO -0.03 0.21 0.15 0.50 0.00 0.00 0.00 178.15 178.97 1hqs h LYS 420 N 0.29 0.28 0.00 2.37 3.64 -0.64 -0.82 116.57 121.69 1hqs h LYS 420 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1hqs h LYS 420 Cb 0.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1hqs h LYS 420 CO -0.00 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 177.45 1hqs n ASN 421 N -5.10 0.00 0.20 4.20 3.02 -0.00 -3.91 115.26 113.67 1hqs n ASN 421 Ca 0.08 -0.90 0.14 0.00 -0.03 0.00 0.00 54.58 53.87 1hqs n ASN 421 Cb 0.30 -0.01 0.66 0.00 -0.61 0.00 0.00 39.78 40.12 1hqs n ASN 421 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1hqs h MET 422 N 0.00 0.00 -0.01 3.52 2.86 -0.59 -3.43 114.93 117.29 1hqs h MET 422 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1hqs h MET 422 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1hqs h MET 422 CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72