#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqo h GLN 2 N 0.00 0.89 -0.22 4.33 5.75 -2.06 -2.41 115.11 121.39 3hqo h GLN 2 Ca 0.00 -0.20 -0.11 0.00 -0.15 0.00 0.00 58.65 58.20 3hqo h GLN 2 Cb 0.00 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 3hqo h GLN 2 CO 0.00 0.81 -0.32 1.25 -2.65 0.00 0.00 178.83 177.91 3hqo h LEU 3 N 0.85 0.46 -0.41 -2.39 6.46 -2.07 -2.14 115.31 116.07 3hqo h LEU 3 Ca 0.18 -0.17 -0.13 0.00 -0.12 0.00 0.00 57.88 57.64 3hqo h LEU 3 Cb 0.33 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3hqo h LEU 3 CO 0.00 0.76 -0.24 0.00 -0.62 0.00 0.00 178.44 178.34 3hqo h ALA 4 N 1.27 0.58 0.00 1.25 0.00 -1.96 -3.09 119.26 117.31 3hqo h ALA 4 Ca 0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3hqo h ALA 4 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hqo h ALA 4 CO 0.06 0.57 -0.41 1.25 0.00 0.00 0.00 179.25 180.71 3hqo h HIS 5 N 0.70 0.00 0.00 0.00 -0.00 -1.27 -2.73 115.15 111.84 3hqo h HIS 5 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3hqo h HIS 5 Cb 0.81 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.21 3hqo h HIS 5 CO 0.06 0.41 -0.16 -0.91 -0.00 0.00 0.00 177.93 177.34 3hqo h ASN 6 N 0.00 0.00 1.46 3.26 4.21 -1.31 -2.84 115.58 120.36 3hqo h ASN 6 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 3hqo h ASN 6 Cb 0.73 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.93 3hqo h ASN 6 CO 0.05 0.16 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.20 3hqo h LEU 7 N 0.00 0.00 -0.09 1.61 3.38 -1.49 -3.13 115.31 115.60 3hqo h LEU 7 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hqo h LEU 7 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hqo h LEU 7 CO 0.02 0.08 -0.35 0.35 0.09 0.00 0.00 178.44 178.63 3hqo n THR 8 N -3.15 0.00 -1.71 0.22 -2.24 -1.07 -4.92 114.28 101.41 3hqo n THR 8 Ca 0.02 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 3hqo n THR 8 Cb 0.46 0.12 0.08 0.00 -2.10 0.00 0.00 70.33 68.89 3hqo n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqo s LEU 9 N -2.89 2.67 -0.20 3.22 1.43 -1.18 -5.09 118.68 116.63 3hqo s LEU 9 Ca 0.15 1.17 -0.24 0.00 -1.03 0.00 0.00 54.13 54.18 3hqo s LEU 9 Cb 0.18 -3.83 0.06 0.00 0.03 0.00 0.00 46.19 42.64 3hqo s LEU 9 CO 0.63 -1.76 0.65 -0.55 0.23 0.00 0.00 176.35 175.55 3hqo s SER 10 N -4.15 -0.66 0.49 2.29 0.15 -1.26 -5.04 113.70 105.52 3hqo s SER 10 Ca 0.60 1.17 0.20 0.00 0.70 0.00 0.00 55.95 58.62 3hqo s SER 10 Cb -0.13 1.16 1.24 0.00 -1.71 0.00 0.00 66.02 66.58 3hqo s SER 10 CO 0.53 -0.31 2.06 0.16 1.20 0.00 0.00 173.24 176.88 3hqo h ILE 11 N 3.88 0.91 0.00 6.45 3.07 -2.02 -2.81 117.51 126.98 3hqo h ILE 11 Ca -0.28 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.66 3hqo h ILE 11 Cb 1.16 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3hqo h ILE 11 CO 0.16 0.13 0.00 0.49 -1.05 0.00 0.00 178.15 177.87 3hqo n PHE 12 N -4.11 0.77 -1.68 0.16 3.72 -1.26 -4.90 117.46 110.15 3hqo n PHE 12 Ca -0.02 0.23 -0.48 0.00 -0.05 0.00 0.00 57.45 57.12 3hqo n PHE 12 Cb 0.21 -0.87 -0.05 0.00 -0.94 0.00 0.00 39.48 37.83 3hqo n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hqo n ASP 13 N -2.13 3.22 -4.77 4.37 8.00 -1.06 -4.89 116.55 119.29 3hqo n ASP 13 Ca 0.06 1.01 -0.41 0.00 0.71 0.00 0.00 54.79 56.16 3hqo n ASP 13 Cb 0.40 -1.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 3hqo n ASP 13 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3hqo s PRO 14 N 3.03 4.15 0.61 -0.24 0.02 -1.26 -4.98 135.00 136.32 3hqo s PRO 14 Ca 0.89 2.52 -0.15 0.00 0.02 0.00 0.00 61.00 64.27 3hqo s PRO 14 Cb -0.72 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 3hqo s PRO 14 CO 0.48 -0.51 1.06 0.14 -0.33 0.00 0.00 177.00 177.85 3hqo s VAL 15 N -0.83 3.76 0.80 3.83 -7.23 -1.26 -5.02 120.40 114.45 3hqo s VAL 15 Ca 0.55 0.82 -0.14 0.00 -1.81 0.00 0.00 61.98 61.40 3hqo s VAL 15 Cb -0.46 -3.35 0.06 0.00 0.56 0.00 0.00 36.38 33.19 3hqo s VAL 15 CO 0.58 -0.51 1.08 0.00 -0.31 0.00 0.00 175.10 175.93 3hqo n ALA 16 N -2.14 -0.33 1.64 1.32 0.00 -1.26 -4.92 120.51 114.82 3hqo n ALA 16 Ca 0.09 -0.33 0.06 0.00 0.00 0.00 0.00 53.44 53.26 3hqo n ALA 16 Cb 0.53 -2.18 0.28 0.00 0.00 0.00 0.00 19.45 18.08 3hqo n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hqo n ASN 17 N -2.79 0.68 -3.70 0.00 2.04 -1.26 -4.84 115.26 105.38 3hqo n ASN 17 Ca 0.13 -1.75 -0.14 0.00 -0.44 0.00 0.00 54.58 52.37 3hqo n ASN 17 Cb 0.50 -0.06 -0.08 0.00 -2.53 0.00 0.00 39.78 37.61 3hqo n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hqo s TYR 18 N -1.87 -0.36 -0.02 -2.53 -0.85 -1.26 -5.05 117.35 105.42 3hqo s TYR 18 Ca 0.20 0.69 -0.13 0.00 -0.52 0.00 0.00 57.07 57.31 3hqo s TYR 18 Cb 0.10 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.56 3hqo s TYR 18 CO 0.15 -0.39 0.35 0.50 -1.52 0.00 0.00 175.55 174.65 3hqo s ARG 19 N -0.86 3.80 -0.26 -3.49 3.52 -1.26 -5.00 118.95 115.41 3hqo s ARG 19 Ca -0.09 0.28 -0.12 0.00 -0.13 0.00 0.00 55.73 55.66 3hqo s ARG 19 Cb -0.04 -3.19 -0.11 0.00 -1.56 0.00 0.00 34.95 30.05 3hqo s ARG 19 CO 0.04 0.70 -0.33 0.00 -0.81 0.00 0.00 175.30 174.91 3hqo n ALA 20 N 1.76 1.35 -1.77 6.12 0.00 -1.26 -4.66 120.51 122.04 3hqo n ALA 20 Ca -0.15 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 51.87 3hqo n ALA 20 Cb 0.53 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3hqo n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqo s ALA 21 N -2.47 3.46 -0.21 0.00 0.00 -1.26 -0.59 121.76 120.69 3hqo s ALA 21 Ca -0.36 1.52 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 3hqo s ALA 21 Cb 0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3hqo s ALA 21 CO 0.46 -1.08 0.05 1.03 0.00 0.00 0.00 175.76 176.21 3hqo s ARG 22 N -2.20 3.78 0.08 0.00 1.81 -0.76 -4.92 118.95 116.74 3hqo s ARG 22 Ca 0.55 -0.43 -0.26 0.00 -1.72 0.00 0.00 55.73 53.87 3hqo s ARG 22 Cb -0.45 -3.21 -0.06 0.00 -0.45 0.00 0.00 34.95 30.78 3hqo s ARG 22 CO 0.60 0.06 0.79 0.42 -0.68 0.00 0.00 175.30 176.50 3hqo s ILE 23 N 0.92 4.63 -0.11 1.52 1.01 -1.26 -1.97 121.20 125.94 3hqo s ILE 23 Ca 0.03 1.69 0.03 0.00 0.00 0.00 0.00 60.65 62.40 3hqo s ILE 23 Cb -0.14 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.20 3hqo s ILE 23 CO 0.02 0.39 -0.19 -0.63 0.00 0.00 0.00 174.94 174.53 3hqo s ILE 24 N -0.28 1.78 0.16 2.92 1.01 -0.67 -0.56 121.20 125.57 3hqo s ILE 24 Ca 0.39 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.29 3hqo s ILE 24 Cb -0.21 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3hqo s ILE 24 CO 0.24 0.50 -0.09 0.00 0.00 0.00 0.00 174.94 175.59 3hqo s THR 26 N -1.58 5.26 -0.14 0.00 2.01 -0.80 -0.15 115.64 120.25 3hqo s THR 26 Ca 0.24 0.15 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 3hqo s THR 26 Cb -0.09 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 3hqo s THR 26 CO 0.15 0.33 0.90 -0.63 -0.69 0.00 0.00 174.62 174.68 3hqo s ILE 27 N 1.23 4.84 0.00 1.82 -1.09 -0.83 -2.66 121.20 124.51 3hqo s ILE 27 Ca 0.07 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 3hqo s ILE 27 Cb -0.14 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 3hqo s ILE 27 CO 0.06 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 3hqo n GLY 28 N 3.28 4.02 0.50 6.18 0.00 -1.25 -4.76 105.19 113.17 3hqo n GLY 28 Ca 0.06 -1.65 0.37 0.00 0.00 0.00 0.00 46.02 44.80 3hqo n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqo h PRO 29 N 0.00 0.10 0.00 1.61 0.13 -1.86 0.22 132.00 132.20 3hqo h PRO 29 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3hqo h PRO 29 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 3hqo h PRO 29 CO 0.00 0.06 0.00 0.77 -0.23 0.00 0.00 178.00 178.60 3hqo h SER 30 N 0.10 0.00 0.00 1.44 0.02 -1.67 -3.38 113.55 110.06 3hqo h SER 30 Ca 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.74 3hqo h SER 30 Cb 2.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.13 3hqo h SER 30 CO -0.32 0.00 -0.30 0.35 -1.14 0.00 0.00 176.83 175.43 3hqo n THR 31 N -2.64 0.00 0.06 -2.27 -2.24 0.65 -4.89 114.28 102.96 3hqo n THR 31 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 3hqo n THR 31 Cb 0.38 0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 69.17 3hqo n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqo h GLN 32 N 0.00 0.10 -7.09 -0.78 4.15 -1.43 -3.37 115.11 106.69 3hqo h GLN 32 Ca 0.00 -0.17 -0.55 0.00 0.77 0.00 0.00 58.65 58.69 3hqo h GLN 32 Cb 1.24 0.06 0.15 0.00 0.21 0.00 0.00 27.48 29.14 3hqo h GLN 32 CO 0.00 1.02 0.55 -1.54 -1.93 0.00 0.00 178.83 176.93 3hqo s SER 33 N -6.80 4.88 0.33 -0.69 1.04 -1.26 -4.82 113.70 106.38 3hqo s SER 33 Ca -0.02 2.66 0.03 0.00 0.48 0.00 0.00 55.95 59.11 3hqo s SER 33 Cb 0.09 -2.62 0.58 0.00 0.10 0.00 0.00 66.02 64.17 3hqo s SER 33 CO 0.84 -1.82 1.89 -0.37 0.98 0.00 0.00 173.24 174.76 3hqo h VAL 34 N 0.90 1.19 0.00 5.02 -1.51 -1.89 -0.29 116.25 119.67 3hqo h VAL 34 Ca -0.51 -0.71 -0.01 0.00 -1.23 0.00 0.00 66.70 64.24 3hqo h VAL 34 Cb 1.32 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3hqo h VAL 34 CO 0.55 0.25 -0.07 -0.08 -1.23 0.00 0.00 177.57 176.99 3hqo h GLU 35 N 0.59 0.00 0.10 5.19 4.57 -1.97 -0.53 114.58 122.54 3hqo h GLU 35 Ca 0.13 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.95 3hqo h GLU 35 Cb 0.26 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3hqo h GLU 35 CO 0.00 0.07 -2.03 0.00 -1.18 0.00 0.00 179.01 175.87 3hqo n ALA 36 N -2.16 0.99 -0.11 2.92 0.00 -0.96 -3.80 120.51 117.39 3hqo n ALA 36 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 53.44 52.77 3hqo n ALA 36 Cb 0.27 -0.63 0.27 0.00 0.00 0.00 0.00 19.45 19.36 3hqo n ALA 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hqo h LEU 37 N 0.06 0.70 -0.55 0.00 3.38 -0.81 -0.68 115.31 117.41 3hqo h LEU 37 Ca -0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3hqo h LEU 37 Cb 2.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 3hqo h LEU 37 CO 0.07 0.61 0.28 0.11 0.09 0.00 0.00 178.44 179.60 3hqo h LYS 38 N 0.78 0.77 -0.44 1.13 1.57 -1.29 -2.35 116.57 116.74 3hqo h LYS 38 Ca 0.19 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 3hqo h LYS 38 Cb 0.10 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 3hqo h LYS 38 CO -0.02 0.61 0.00 0.78 -0.57 0.00 0.00 179.45 180.25 3hqo h GLY 39 N 0.73 0.45 1.26 3.86 0.00 -1.32 -1.72 103.07 106.34 3hqo h GLY 39 Ca 0.19 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 3hqo h GLY 39 CO -0.03 -0.11 0.26 1.41 0.00 0.00 0.00 176.54 178.07 3hqo h LEU 40 N 0.12 0.87 -0.32 3.11 4.07 -1.01 -0.82 115.31 121.32 3hqo h LEU 40 Ca 0.22 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 3hqo h LEU 40 Cb 0.32 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3hqo h LEU 40 CO -0.36 0.78 -0.05 0.40 -1.08 0.00 0.00 178.44 178.12 3hqo h ILE 41 N 0.93 1.27 0.00 1.22 2.04 -0.86 0.69 117.51 122.80 3hqo h ILE 41 Ca 0.22 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 3hqo h ILE 41 Cb 0.18 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3hqo h ILE 41 CO -0.02 0.35 -0.28 1.56 0.00 0.00 0.00 178.15 179.76 3hqo h GLN 42 N 0.39 0.00 0.00 2.37 4.20 -1.26 -3.10 115.11 117.71 3hqo h GLN 42 Ca 0.09 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3hqo h GLN 42 Cb 0.53 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3hqo h GLN 42 CO 0.03 0.28 -0.53 0.77 -0.67 0.00 0.00 178.83 178.71 3hqo h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.87 -3.47 113.55 110.68 3hqo h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqo h SER 43 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3hqo h SER 43 CO 0.04 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.87 3hqo n GLY 44 N 1.14 -0.95 3.73 -3.77 0.00 -0.54 -3.87 105.19 100.94 3hqo n GLY 44 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3hqo n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hqo s MET 45 N 0.00 4.21 -0.22 1.61 0.00 0.12 -4.40 119.30 120.61 3hqo s MET 45 Ca 0.00 2.39 0.01 0.00 0.00 0.00 0.00 55.69 58.09 3hqo s MET 45 Cb 0.00 -3.11 -0.14 0.00 0.00 0.00 0.00 34.83 31.58 3hqo s MET 45 CO 0.00 -0.55 -0.20 0.43 0.00 0.00 0.00 175.02 174.70 3hqo n SER 46 N 2.99 2.23 -4.13 1.11 7.64 0.28 -4.62 113.62 119.12 3hqo n SER 46 Ca 0.10 -0.10 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 3hqo n SER 46 Cb 0.39 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 63.07 3hqo n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqo s VAL 47 N -2.45 1.17 -0.23 0.44 1.01 -1.04 -2.97 120.40 116.34 3hqo s VAL 47 Ca -0.30 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 3hqo s VAL 47 Cb 0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3hqo s VAL 47 CO 0.51 0.28 0.12 0.00 0.00 0.00 0.00 175.10 176.01 3hqo s ALA 48 N -0.43 3.48 -0.16 5.51 0.00 -0.05 -1.12 121.76 128.99 3hqo s ALA 48 Ca 0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 3hqo s ALA 48 Cb -0.06 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 3hqo s ALA 48 CO -0.00 -0.14 0.13 0.50 0.00 0.00 0.00 175.76 176.24 3hqo s ARG 49 N 0.97 3.77 -0.20 0.00 3.52 0.79 -0.39 118.95 127.41 3hqo s ARG 49 Ca 0.06 -0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 3hqo s ARG 49 Cb -0.14 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 3hqo s ARG 49 CO 0.03 0.55 -0.03 -1.64 -0.81 0.00 0.00 175.30 173.41 3hqo s MET 50 N -0.37 3.52 -0.46 5.12 -1.94 0.43 -1.97 119.30 123.63 3hqo s MET 50 Ca 0.11 -0.57 -0.21 0.00 -1.71 0.00 0.00 55.69 53.32 3hqo s MET 50 Cb -0.12 -3.00 0.03 0.00 2.01 0.00 0.00 34.83 33.75 3hqo s MET 50 CO 0.01 -0.02 0.66 1.21 -0.01 0.00 0.00 175.02 176.87 3hqo s ASN 51 N 1.06 6.31 0.00 3.03 3.84 -1.26 -1.03 114.94 126.89 3hqo s ASN 51 Ca 0.01 -0.44 0.08 0.00 0.21 0.00 0.00 52.86 52.72 3hqo s ASN 51 Cb -0.15 -2.32 0.37 0.00 -0.55 0.00 0.00 41.25 38.60 3hqo s ASN 51 CO 0.01 -0.84 1.26 0.49 -2.79 0.00 0.00 177.10 175.23 3hqo n PHE 52 N 6.34 0.11 1.42 0.43 3.01 -0.56 -2.42 117.46 125.80 3hqo n PHE 52 Ca -0.02 -0.06 0.14 0.00 1.01 0.00 0.00 57.45 58.53 3hqo n PHE 52 Cb 0.47 0.00 0.65 0.00 -0.01 0.00 0.00 39.48 40.60 3hqo n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hqo n SER 53 N -0.28 0.34 -3.96 4.37 7.64 -1.26 -4.62 113.62 115.84 3hqo n SER 53 Ca 0.07 -0.47 -0.12 0.00 1.01 0.00 0.00 58.87 59.36 3hqo n SER 53 Cb 0.10 -0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 3hqo n SER 53 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hqo s HIS 54 N -2.49 0.30 0.07 1.43 3.76 -1.02 -5.04 115.29 112.31 3hqo s HIS 54 Ca 0.29 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3hqo s HIS 54 Cb 0.20 -0.20 0.00 0.00 1.11 0.00 0.00 32.58 33.69 3hqo s HIS 54 CO 0.47 -0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 3hqo n GLY 55 N 2.15 -2.73 3.95 -2.22 0.00 -1.26 -4.85 105.19 100.22 3hqo n GLY 55 Ca -0.19 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 3hqo n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hqo s SER 56 N -4.25 4.94 0.57 1.61 1.04 -1.26 -4.91 113.70 111.44 3hqo s SER 56 Ca 0.00 0.22 0.27 0.00 0.48 0.00 0.00 55.95 56.91 3hqo s SER 56 Cb 0.00 -0.93 1.69 0.00 0.10 0.00 0.00 66.02 66.88 3hqo s SER 56 CO 0.00 -1.46 2.23 0.45 0.98 0.00 0.00 173.24 175.44 3hqo h HIS 57 N -0.35 0.00 -0.29 5.02 -0.00 -1.99 -0.95 115.15 116.59 3hqo h HIS 57 Ca -0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 59.82 3hqo h HIS 57 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.70 3hqo h HIS 57 CO 0.29 0.01 -0.33 1.49 -0.00 0.00 0.00 177.93 179.39 3hqo h GLU 58 N 0.00 0.63 0.06 2.45 4.81 -2.00 -2.71 114.58 117.82 3hqo h GLU 58 Ca -0.00 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3hqo h GLU 58 Cb 0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hqo h GLU 58 CO 0.00 0.87 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.20 3hqo h TYR 59 N 0.53 -0.08 0.00 0.92 3.20 -1.56 -3.25 116.97 116.73 3hqo h TYR 59 Ca 0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3hqo h TYR 59 Cb 0.82 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 3hqo h TYR 59 CO 0.04 0.48 -0.11 0.45 -1.64 0.00 0.00 178.16 177.38 3hqo h HIS 60 N -0.73 0.00 -0.15 -3.82 3.86 -1.44 -1.71 115.15 111.16 3hqo h HIS 60 Ca -0.01 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3hqo h HIS 60 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3hqo h HIS 60 CO 0.13 0.11 0.06 0.37 0.86 0.00 0.00 177.93 179.45 3hqo h GLN 61 N 0.00 0.14 -0.59 2.45 5.75 -1.53 -0.83 115.11 120.50 3hqo h GLN 61 Ca -0.00 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3hqo h GLN 61 Cb 0.26 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3hqo h GLN 61 CO 0.01 0.09 0.38 1.15 -2.65 0.00 0.00 178.83 177.81 3hqo h THR 62 N 0.14 1.13 -0.06 2.39 2.02 -1.35 0.55 112.91 117.72 3hqo h THR 62 Ca 0.06 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3hqo h THR 62 Cb 0.02 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 3hqo h THR 62 CO -0.05 0.14 -0.24 0.74 0.37 0.00 0.00 175.52 176.47 3hqo h THR 63 N 0.77 0.43 -0.17 3.16 2.02 -1.20 -0.19 112.91 117.73 3hqo h THR 63 Ca 0.22 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 3hqo h THR 63 Cb -0.06 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 3hqo h THR 63 CO -0.06 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 176.10 3hqo h ILE 64 N -0.35 0.63 0.00 3.11 2.04 -0.73 0.12 117.51 122.33 3hqo h ILE 64 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3hqo h ILE 64 Cb 0.46 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3hqo h ILE 64 CO -0.26 0.00 -0.12 0.78 0.00 0.00 0.00 178.15 178.55 3hqo h ASN 65 N -0.13 0.00 0.23 1.72 2.35 -0.53 -2.22 115.58 116.99 3hqo h ASN 65 Ca 0.11 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.51 3hqo h ASN 65 Cb 0.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3hqo h ASN 65 CO -0.26 0.12 -1.91 0.59 -1.65 0.00 0.00 177.43 174.32 3hqo n ASN 66 N -4.21 1.79 0.01 5.81 4.13 -0.11 -2.76 115.26 119.91 3hqo n ASN 66 Ca -0.03 0.27 -0.10 0.00 1.68 0.00 0.00 54.58 56.41 3hqo n ASN 66 Cb 0.20 -0.65 -0.04 0.00 -1.54 0.00 0.00 39.78 37.74 3hqo n ASN 66 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3hqo h VAL 67 N 0.05 0.76 -0.80 2.41 2.07 -0.68 -0.38 116.25 119.68 3hqo h VAL 67 Ca -0.38 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3hqo h VAL 67 Cb 2.03 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 3hqo h VAL 67 CO 0.09 0.00 0.43 0.03 0.02 0.00 0.00 177.57 178.14 3hqo h ARG 68 N -0.10 1.12 -0.43 1.57 3.08 -1.55 -1.62 114.38 116.44 3hqo h ARG 68 Ca 0.07 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3hqo h ARG 68 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3hqo h ARG 68 CO -0.16 0.83 0.01 0.37 -1.07 0.00 0.00 179.97 179.96 3hqo h GLN 69 N 1.11 0.76 -0.22 0.04 4.15 -1.32 -2.23 115.11 117.40 3hqo h GLN 69 Ca 0.28 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 3hqo h GLN 69 Cb 0.04 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3hqo h GLN 69 CO -0.04 0.82 -0.14 0.00 -1.93 0.00 0.00 178.83 177.54 3hqo h ALA 70 N 0.91 1.37 0.23 3.38 0.00 -0.91 -2.44 119.26 121.79 3hqo h ALA 70 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hqo h ALA 70 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hqo h ALA 70 CO 0.02 0.43 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 3hqo h ALA 71 N 1.53 -0.31 -0.28 0.00 0.00 -1.12 -2.92 119.26 116.16 3hqo h ALA 71 Ca 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hqo h ALA 71 Cb 0.45 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hqo h ALA 71 CO 0.03 -0.54 0.03 0.00 0.00 0.00 0.00 179.25 178.76 3hqo h ALA 72 N 0.14 1.53 0.00 0.00 0.00 -1.32 0.20 119.26 119.81 3hqo h ALA 72 Ca -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3hqo h ALA 72 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hqo h ALA 72 CO 0.05 0.35 -0.34 0.93 0.00 0.00 0.00 179.25 180.24 3hqo h GLU 73 N 0.40 0.00 0.00 0.00 5.08 -1.47 -3.02 114.58 115.57 3hqo h GLU 73 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3hqo h GLU 73 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hqo h GLU 73 CO 0.00 0.34 -1.24 1.28 -1.00 0.00 0.00 179.01 178.39 3hqo n LEU 74 N -3.47 0.65 -0.23 1.33 4.77 -0.82 -5.01 117.00 114.22 3hqo n LEU 74 Ca 0.00 -0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 55.71 3hqo n LEU 74 Cb 0.50 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3hqo n LEU 74 CO 0.36 0.14 -0.01 0.61 -1.33 0.00 0.00 177.39 177.16 3hqo n GLY 75 N 1.41 0.40 3.33 -0.72 0.00 0.63 -5.07 105.19 105.19 3hqo n GLY 75 Ca 0.02 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 3hqo n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqo s VAL 76 N -2.21 1.69 -0.37 1.61 -7.23 -0.95 -5.02 120.40 107.91 3hqo s VAL 76 Ca 0.01 -2.18 -0.18 0.00 -1.81 0.00 0.00 61.98 57.82 3hqo s VAL 76 Cb -0.00 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.93 3hqo s VAL 76 CO 0.01 -0.59 0.51 0.20 -0.31 0.00 0.00 175.10 174.91 3hqo s ASN 77 N -3.26 6.28 -0.14 4.85 0.01 -1.26 -4.40 114.94 117.02 3hqo s ASN 77 Ca 0.21 -0.20 -0.00 0.00 -0.71 0.00 0.00 52.86 52.16 3hqo s ASN 77 Cb -0.01 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 3hqo s ASN 77 CO 0.06 -0.53 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.36 3hqo s ILE 78 N 2.38 2.95 0.48 0.60 -1.09 -1.26 -4.75 121.20 120.51 3hqo s ILE 78 Ca 0.17 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 57.74 3hqo s ILE 78 Cb -0.16 -2.25 -0.09 0.00 -1.58 0.00 0.00 42.46 38.39 3hqo s ILE 78 CO 0.14 0.52 0.95 0.00 -1.23 0.00 0.00 174.94 175.32 3hqo s ALA 79 N 0.54 3.09 -0.09 9.38 0.00 -1.16 -4.92 121.76 128.60 3hqo s ALA 79 Ca -0.09 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.10 3hqo s ALA 79 Cb -0.16 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 19.89 3hqo s ALA 79 CO 0.04 -0.11 -0.20 0.42 0.00 0.00 0.00 175.76 175.91 3hqo s ILE 80 N -2.48 1.78 -0.04 0.00 1.01 -1.26 -0.87 121.20 119.34 3hqo s ILE 80 Ca 0.59 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 60.45 3hqo s ILE 80 Cb -0.10 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3hqo s ILE 80 CO 0.26 0.50 -0.22 0.00 0.00 0.00 0.00 174.94 175.48 3hqo s ALA 81 N 0.50 1.90 -0.15 9.38 0.00 0.47 -1.61 121.76 132.26 3hqo s ALA 81 Ca -0.16 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 3hqo s ALA 81 Cb -0.17 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 3hqo s ALA 81 CO 0.06 0.39 0.26 -1.17 0.00 0.00 0.00 175.76 175.30 3hqo s LEU 82 N -0.22 4.27 -0.31 0.00 0.20 -0.54 -0.43 118.68 121.66 3hqo s LEU 82 Ca 0.00 0.50 -0.02 0.00 0.69 0.00 0.00 54.13 55.29 3hqo s LEU 82 Cb -0.12 -2.31 0.05 0.00 -0.43 0.00 0.00 46.19 43.39 3hqo s LEU 82 CO 0.02 0.17 0.02 -0.62 -0.29 0.00 0.00 176.35 175.65 3hqo s ASP 83 N 0.15 4.96 0.85 3.68 -1.08 -0.20 0.63 116.67 125.66 3hqo s ASP 83 Ca 0.15 -1.30 -0.11 0.00 -0.52 0.00 0.00 52.55 50.78 3hqo s ASP 83 Cb -0.13 -1.74 0.10 0.00 -1.46 0.00 0.00 42.92 39.70 3hqo s ASP 83 CO 0.04 -0.28 1.10 0.42 0.52 0.00 0.00 175.17 176.97 3hqo s THR 84 N 1.26 2.80 -0.03 1.71 -4.23 -0.89 -1.50 115.64 114.76 3hqo s THR 84 Ca -0.04 0.26 -0.21 0.00 -1.18 0.00 0.00 61.69 60.52 3hqo s THR 84 Cb -0.20 -2.59 -0.15 0.00 1.34 0.00 0.00 72.50 70.90 3hqo s THR 84 CO -0.01 -0.34 0.95 0.11 -0.54 0.00 0.00 174.62 174.79 3hqo h LYS 85 N -1.48 -0.34 0.00 3.99 1.57 -1.92 -3.40 116.57 114.99 3hqo h LYS 85 Ca -0.45 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3hqo h LYS 85 Cb 1.25 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3hqo h LYS 85 CO 0.49 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 3hqo n GLY 86 N 0.26 -1.68 2.32 3.86 0.00 -1.26 -4.13 105.19 104.56 3hqo n GLY 86 Ca -0.08 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3hqo n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hqo n PRO 87 N 0.00 3.36 -2.90 1.61 -0.05 -1.26 -4.69 135.00 131.07 3hqo n PRO 87 Ca 0.00 -2.33 -0.19 0.00 -0.05 0.00 0.00 63.50 60.93 3hqo n PRO 87 Cb 0.00 -2.46 0.02 0.00 -0.05 0.00 0.00 33.50 31.01 3hqo n PRO 87 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 175.50 173.62 3hqo s GLU 88 N 0.25 2.75 -0.07 0.54 -1.05 -1.26 -4.98 118.70 114.88 3hqo s GLU 88 Ca 0.63 -1.03 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 3hqo s GLU 88 Cb 0.25 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 31.28 3hqo s GLU 88 CO -0.09 -0.42 -0.19 0.42 0.95 0.00 0.00 175.26 175.94 3hqo s ILE 89 N -2.50 1.61 0.07 1.83 1.01 -1.26 -5.00 121.20 116.97 3hqo s ILE 89 Ca 0.55 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.51 3hqo s ILE 89 Cb -0.10 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3hqo s ILE 89 CO 0.35 0.46 -0.25 -0.13 0.00 0.00 0.00 174.94 175.37 3hqo s ARG 90 N 0.27 1.58 0.46 2.79 1.81 -1.26 -0.74 118.95 123.85 3hqo s ARG 90 Ca -0.11 -1.16 -0.08 0.00 -1.72 0.00 0.00 55.73 52.66 3hqo s ARG 90 Cb -0.15 -1.84 0.11 0.00 -0.45 0.00 0.00 34.95 32.62 3hqo s ARG 90 CO 0.05 0.46 0.42 0.25 -0.68 0.00 0.00 175.30 175.80 3hqo n THR 91 N 1.49 0.00 -3.87 0.02 -2.24 -0.26 -2.23 114.28 107.19 3hqo n THR 91 Ca -0.17 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.17 3hqo n THR 91 Cb 0.53 -1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 67.57 3hqo n THR 91 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hqo s GLY 92 N -3.32 2.28 1.14 3.38 0.00 -0.42 -4.34 107.32 106.03 3hqo s GLY 92 Ca 0.27 -1.83 -0.14 0.00 0.00 0.00 0.00 44.72 43.02 3hqo s GLY 92 CO 0.21 -1.84 1.05 1.20 0.00 0.00 0.00 173.10 173.72 3hqo s GLN 93 N -4.07 -0.68 0.02 2.90 -0.21 -0.83 -3.72 119.66 113.06 3hqo s GLN 93 Ca 0.42 0.58 0.03 0.00 0.02 0.00 0.00 55.36 56.41 3hqo s GLN 93 Cb -0.00 -1.60 -0.01 0.00 1.00 0.00 0.00 33.01 32.39 3hqo s GLN 93 CO 0.24 -3.50 -0.09 -0.06 -2.12 0.00 0.00 175.29 169.76 3hqo s PHE 94 N -2.67 0.82 0.06 0.91 0.08 -1.26 -3.40 117.98 112.51 3hqo s PHE 94 Ca 0.68 -0.28 -0.32 0.00 0.12 0.00 0.00 56.93 57.13 3hqo s PHE 94 Cb -0.21 -0.50 -0.11 0.00 -0.57 0.00 0.00 43.02 41.63 3hqo s PHE 94 CO 0.61 -0.02 1.88 1.55 -0.10 0.00 0.00 175.22 179.14 3hqo n VAL 95 N 2.25 0.52 -0.61 -0.44 3.14 -1.07 -1.08 118.33 121.04 3hqo n VAL 95 Ca -0.17 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3hqo n VAL 95 Cb 0.56 -2.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 3hqo n VAL 95 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hqo n GLY 96 N 4.32 0.67 3.73 7.55 0.00 -1.26 -4.15 105.19 116.05 3hqo n GLY 96 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hqo n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqo n GLY 97 N -2.61 0.29 3.81 -0.02 0.00 -0.24 -4.88 105.19 101.54 3hqo n GLY 97 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3hqo n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hqo s ASP 98 N -2.29 -0.18 0.01 1.61 3.84 -1.26 -2.62 116.67 115.79 3hqo s ASP 98 Ca 0.00 -0.59 0.01 0.00 -0.00 0.00 0.00 52.55 51.97 3hqo s ASP 98 Cb 0.00 0.63 -0.01 0.00 -1.38 0.00 0.00 42.92 42.16 3hqo s ASP 98 CO 0.00 -1.17 -0.04 0.00 -0.00 0.00 0.00 175.17 173.96 3hqo s ALA 99 N -3.36 0.29 -0.49 2.11 0.00 0.47 -4.66 121.76 116.12 3hqo s ALA 99 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3hqo s ALA 99 Cb -0.04 -0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.21 3hqo s ALA 99 CO 0.05 0.00 0.26 0.08 0.00 0.00 0.00 175.76 176.16 3hqo s VAL 100 N -0.60 3.06 -0.11 0.00 1.01 -1.26 -1.37 120.40 121.13 3hqo s VAL 100 Ca -0.04 -2.71 -0.25 0.00 0.00 0.00 0.00 61.98 58.98 3hqo s VAL 100 Cb -0.05 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3hqo s VAL 100 CO -0.00 -0.76 0.79 -0.04 0.00 0.00 0.00 175.10 175.08 3hqo s MET 101 N 0.36 4.37 0.02 2.72 -1.94 -0.99 -4.94 119.30 118.91 3hqo s MET 101 Ca 0.14 0.98 0.03 0.00 -1.71 0.00 0.00 55.69 55.13 3hqo s MET 101 Cb -0.22 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 3hqo s MET 101 CO -0.04 -0.14 -0.04 -2.00 -0.01 0.00 0.00 175.02 172.79 3hqo s GLU 102 N 1.50 2.58 0.06 2.03 2.12 -1.26 -1.50 118.70 124.22 3hqo s GLU 102 Ca 0.39 -0.73 -0.33 0.00 0.36 0.00 0.00 54.97 54.65 3hqo s GLU 102 Cb -0.17 -2.53 -0.12 0.00 0.26 0.00 0.00 34.13 31.56 3hqo s GLU 102 CO 0.16 0.59 1.74 -2.13 -0.54 0.00 0.00 175.26 175.09 3hqo n ARG 103 N 1.32 2.28 0.00 4.30 0.63 -1.26 -1.57 116.66 122.35 3hqo n ARG 103 Ca -0.14 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 3hqo n ARG 103 Cb 0.52 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.78 3hqo n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hqo n GLY 104 N 3.94 2.89 3.70 5.14 0.00 -0.41 -4.95 105.19 115.49 3hqo n GLY 104 Ca 0.19 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3hqo n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqo n ALA 105 N 0.00 0.32 -2.52 4.61 0.00 -0.61 -4.70 120.51 117.61 3hqo n ALA 105 Ca 0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 3hqo n ALA 105 Cb 0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.06 3hqo n ALA 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hqo s THR 106 N -1.88 3.30 0.15 0.00 2.01 -1.26 -1.31 115.64 116.65 3hqo s THR 106 Ca 0.76 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 62.09 3hqo s THR 106 Cb -0.32 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3hqo s THR 106 CO 0.47 0.55 -0.01 0.00 -0.69 0.00 0.00 174.62 174.95 3hqo s TYR 108 N -3.65 2.35 -0.46 0.00 2.02 0.65 -1.44 117.35 116.81 3hqo s TYR 108 Ca 0.21 -1.39 -0.11 0.00 -0.37 0.00 0.00 57.07 55.41 3hqo s TYR 108 Cb 0.06 -1.68 0.10 0.00 -0.40 0.00 0.00 41.96 40.04 3hqo s TYR 108 CO 0.02 -0.71 0.34 0.14 -1.57 0.00 0.00 175.55 173.77 3hqo s VAL 109 N 1.43 4.51 0.17 0.71 -7.23 -1.05 -1.05 120.40 117.90 3hqo s VAL 109 Ca 0.04 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 3hqo s VAL 109 Cb -0.14 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 3hqo s VAL 109 CO -0.11 -0.66 0.32 0.28 -0.31 0.00 0.00 175.10 174.62 3hqo s THR 110 N 1.46 5.29 -0.30 5.32 -1.32 -0.35 -2.13 115.64 123.60 3hqo s THR 110 Ca 0.04 -0.62 0.10 0.00 -1.21 0.00 0.00 61.69 60.00 3hqo s THR 110 Cb -0.25 -3.75 0.59 0.00 -1.51 0.00 0.00 72.50 67.57 3hqo s THR 110 CO 0.02 -0.14 1.60 0.35 -2.21 0.00 0.00 174.62 174.24 3hqo n THR 111 N -0.65 2.68 -2.86 5.08 -2.24 0.20 -2.61 114.28 113.89 3hqo n THR 111 Ca -0.06 -2.21 -0.43 0.00 -2.27 0.00 0.00 64.05 59.08 3hqo n THR 111 Cb 0.54 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 3hqo n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqo s ASP 112 N -1.91 6.43 -0.41 3.42 3.68 -1.26 -4.94 116.67 121.68 3hqo s ASP 112 Ca 0.48 -0.08 -0.07 0.00 2.13 0.00 0.00 52.55 55.02 3hqo s ASP 112 Cb 0.41 -2.43 -0.06 0.00 -1.45 0.00 0.00 42.92 39.39 3hqo s ASP 112 CO 0.06 -1.07 1.55 -2.65 0.13 0.00 0.00 175.17 173.18 3hqo n PRO 113 N 7.15 0.92 0.00 4.34 -0.02 -1.26 -0.19 135.00 145.94 3hqo n PRO 113 Ca 0.04 -1.01 0.00 0.00 -2.02 0.00 0.00 63.50 60.50 3hqo n PRO 113 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3hqo n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqo n ALA 114 N 5.23 0.00 -0.63 3.55 0.00 -1.26 -4.81 120.51 122.60 3hqo n ALA 114 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.77 3hqo n ALA 114 Cb 0.12 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.87 3hqo n ALA 114 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hqo n PHE 115 N 0.00 1.20 0.02 0.00 3.01 0.73 -4.52 117.46 117.90 3hqo n PHE 115 Ca 0.00 -0.65 -0.13 0.00 1.01 0.00 0.00 57.45 57.68 3hqo n PHE 115 Cb 0.11 -0.23 -0.09 0.00 -0.01 0.00 0.00 39.48 39.26 3hqo n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqo h ALA 116 N 3.22 -0.08 -0.33 4.37 0.00 -1.88 -3.29 119.26 121.27 3hqo h ALA 116 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3hqo h ALA 116 Cb 1.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3hqo h ALA 116 CO 0.20 -0.32 -0.28 -0.44 0.00 0.00 0.00 179.25 178.41 3hqo h ASP 117 N -0.53 0.82 -3.30 0.00 5.19 -1.87 -2.21 116.42 114.52 3hqo h ASP 117 Ca -0.01 -0.46 -0.63 0.00 -0.62 0.00 0.00 57.03 55.31 3hqo h ASP 117 Cb 0.47 -0.23 -0.20 0.00 0.18 0.00 0.00 39.33 39.55 3hqo h ASP 117 CO 0.01 1.11 -0.64 -1.59 -3.12 0.00 0.00 179.24 175.01 3hqo s LYS 118 N -4.43 3.73 -0.16 3.56 -2.85 -1.26 -4.44 119.74 113.89 3hqo s LYS 118 Ca -0.12 -0.47 -0.04 0.00 -1.00 0.00 0.00 55.97 54.34 3hqo s LYS 118 Cb 0.10 -2.99 0.08 0.00 -2.06 0.00 0.00 37.83 32.95 3hqo s LYS 118 CO 0.84 0.27 0.23 0.20 0.10 0.00 0.00 175.35 177.00 3hqo s GLY 119 N 0.30 -0.05 0.53 0.59 0.00 -1.22 -4.71 107.32 102.77 3hqo s GLY 119 Ca -0.02 0.57 0.05 0.00 0.00 0.00 0.00 44.72 45.32 3hqo s GLY 119 CO 0.02 2.03 0.74 -0.51 0.00 0.00 0.00 173.10 175.37 3hqo s THR 120 N 2.36 2.62 0.41 0.90 -4.23 0.13 -2.58 115.64 115.25 3hqo s THR 120 Ca 0.05 -0.83 0.23 0.00 -1.18 0.00 0.00 61.69 59.95 3hqo s THR 120 Cb -0.14 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 71.16 3hqo s THR 120 CO -0.10 0.00 2.03 0.07 -0.54 0.00 0.00 174.62 176.08 3hqo h LYS 121 N 0.21 0.00 0.12 3.99 2.10 -1.92 -3.09 116.57 117.97 3hqo h LYS 121 Ca -0.38 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 57.99 3hqo h LYS 121 Cb 1.29 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.63 3hqo h LYS 121 CO 0.46 0.16 -1.21 -0.44 -2.00 0.00 0.00 179.45 176.42 3hqo h ASP 122 N 0.00 0.63 -3.39 7.07 3.32 -1.93 -3.43 116.42 118.69 3hqo h ASP 122 Ca -0.00 -0.61 -0.12 0.00 0.02 0.00 0.00 57.03 56.32 3hqo h ASP 122 Cb 0.37 -0.20 -0.26 0.00 0.22 0.00 0.00 39.33 39.46 3hqo h ASP 122 CO 0.02 1.45 -0.28 -0.75 -1.72 0.00 0.00 179.24 177.95 3hqo s LYS 123 N -2.87 0.41 0.14 3.56 2.20 -1.17 0.24 119.74 122.24 3hqo s LYS 123 Ca -0.07 0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 56.27 3hqo s LYS 123 Cb 0.07 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 3hqo s LYS 123 CO 0.90 -0.13 0.19 1.97 -0.36 0.00 0.00 175.35 177.92 3hqo n PHE 124 N 3.91 -0.86 -4.25 4.03 -1.74 -0.21 0.20 117.46 118.53 3hqo n PHE 124 Ca -0.21 -0.90 -0.31 0.00 -0.56 0.00 0.00 57.45 55.47 3hqo n PHE 124 Cb 0.56 0.22 -0.09 0.00 1.52 0.00 0.00 39.48 41.69 3hqo n PHE 124 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 3hqo s TYR 125 N -4.31 2.90 -0.08 2.97 5.04 -1.24 -1.21 117.35 121.42 3hqo s TYR 125 Ca 0.11 -0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 54.67 3hqo s TYR 125 Cb -0.00 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.80 3hqo s TYR 125 CO 0.08 0.44 0.00 0.42 -1.34 0.00 0.00 175.55 175.15 3hqo s ILE 126 N -1.19 0.40 -1.50 3.14 1.01 -1.07 -1.31 121.20 120.68 3hqo s ILE 126 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3hqo s ILE 126 Cb -0.11 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.77 3hqo s ILE 126 CO 0.14 0.21 0.67 -0.90 0.00 0.00 0.00 174.94 175.06 3hqo n ASP 127 N 5.14 0.45 -4.54 3.58 5.75 -0.95 -4.56 116.55 121.41 3hqo n ASP 127 Ca -0.07 -1.79 -0.40 0.00 -0.01 0.00 0.00 54.79 52.52 3hqo n ASP 127 Cb 0.50 -0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 40.26 3hqo n ASP 127 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hqo s TYR 128 N -1.50 3.23 0.04 2.11 5.04 -1.26 -4.96 117.35 120.05 3hqo s TYR 128 Ca 0.00 -0.16 -0.23 0.00 -2.44 0.00 0.00 57.07 54.23 3hqo s TYR 128 Cb 0.00 -2.49 -0.16 0.00 0.35 0.00 0.00 41.96 39.66 3hqo s TYR 128 CO 0.00 -0.35 1.50 1.96 -1.34 0.00 0.00 175.55 177.32 3hqo h GLN 129 N 8.48 0.08 0.00 4.97 1.08 -1.93 -3.05 115.11 124.74 3hqo h GLN 129 Ca -0.31 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3hqo h GLN 129 Cb 1.16 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3hqo h GLN 129 CO 0.63 0.32 0.00 -1.71 -0.95 0.00 0.00 178.83 177.12 3hqo n ASN 130 N -4.91 0.00 -0.27 1.46 4.05 -1.26 -4.08 115.26 110.24 3hqo n ASN 130 Ca -0.07 -0.11 0.05 0.00 0.45 0.00 0.00 54.58 54.90 3hqo n ASN 130 Cb 0.16 -0.06 0.15 0.00 1.23 0.00 0.00 39.78 41.26 3hqo n ASN 130 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3hqo h LEU 131 N 0.00 -0.53 -1.50 1.20 5.85 -1.93 -0.82 115.31 117.59 3hqo h LEU 131 Ca 0.00 0.22 0.15 0.00 0.84 0.00 0.00 57.88 59.09 3hqo h LEU 131 Cb 0.01 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3hqo h LEU 131 CO 0.00 -0.23 0.52 0.28 -0.34 0.00 0.00 178.44 178.67 3hqo h SER 132 N 0.05 0.47 1.62 1.25 0.02 -1.87 -1.31 113.55 113.78 3hqo h SER 132 Ca 0.42 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 3hqo h SER 132 Cb 0.72 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 3hqo h SER 132 CO -0.76 0.24 -0.38 0.11 -1.14 0.00 0.00 176.83 174.91 3hqo h LYS 133 N 0.50 0.00 0.00 3.45 1.57 -1.48 -3.34 116.57 117.27 3hqo h LYS 133 Ca 0.39 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.10 3hqo h LYS 133 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3hqo h LYS 133 CO -0.14 0.02 -0.47 0.28 -0.57 0.00 0.00 179.45 178.57 3hqo h VAL 134 N 0.00 0.54 -2.60 0.50 2.07 -1.04 -3.47 116.25 112.26 3hqo h VAL 134 Ca -0.00 -1.79 -0.58 0.00 0.82 0.00 0.00 66.70 65.14 3hqo h VAL 134 Cb 1.02 2.22 -0.10 0.00 -1.52 0.00 0.00 31.29 32.91 3hqo h VAL 134 CO 0.00 0.31 -0.65 0.68 0.02 0.00 0.00 177.57 177.93 3hqo s VAL 135 N -3.05 3.64 0.08 2.57 -7.23 -1.11 -5.06 120.40 110.25 3hqo s VAL 135 Ca 0.04 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3hqo s VAL 135 Cb 0.07 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3hqo s VAL 135 CO 0.73 -0.22 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.09 3hqo s ARG 136 N -3.26 0.76 -0.02 4.82 0.52 -1.26 -4.97 118.95 115.54 3hqo s ARG 136 Ca 0.29 -1.12 -0.36 0.00 -0.52 0.00 0.00 55.73 54.02 3hqo s ARG 136 Cb -0.08 -0.36 -0.14 0.00 0.52 0.00 0.00 34.95 34.89 3hqo s ARG 136 CO 0.19 0.04 1.65 -2.30 0.02 0.00 0.00 175.30 174.90 3hqo n PRO 137 N 0.57 1.74 0.00 3.54 -0.02 -1.26 -1.84 135.00 137.72 3hqo n PRO 137 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3hqo n PRO 137 Cb 0.58 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3hqo n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqo n GLY 138 N 3.68 2.98 3.76 -1.23 0.00 0.94 -4.99 105.19 110.33 3hqo n GLY 138 Ca 0.21 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3hqo n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqo s ASN 139 N -0.02 5.83 0.34 1.61 0.02 -0.77 -4.60 114.94 117.37 3hqo s ASN 139 Ca 0.00 2.66 -0.03 0.00 -1.02 0.00 0.00 52.86 54.47 3hqo s ASN 139 Cb 0.00 -2.63 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 3hqo s ASN 139 CO 0.00 -1.18 0.60 -0.31 0.02 0.00 0.00 177.10 176.23 3hqo s TYR 140 N -1.33 3.50 -0.14 2.20 2.02 -1.26 -2.21 117.35 120.13 3hqo s TYR 140 Ca 0.64 0.58 0.01 0.00 -0.37 0.00 0.00 57.07 57.93 3hqo s TYR 140 Cb -0.38 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 3hqo s TYR 140 CO 0.47 0.07 -0.15 0.42 -1.57 0.00 0.00 175.55 174.79 3hqo s ILE 141 N -2.29 1.58 -0.21 2.71 1.01 0.25 -4.90 121.20 119.35 3hqo s ILE 141 Ca 0.43 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 3hqo s ILE 141 Cb -0.10 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3hqo s ILE 141 CO 0.35 0.46 0.38 -0.31 0.00 0.00 0.00 174.94 175.82 3hqo s TYR 142 N 1.41 3.35 -0.10 3.97 1.51 -1.18 -1.15 117.35 125.15 3hqo s TYR 142 Ca 0.03 0.56 0.00 0.00 -1.01 0.00 0.00 57.07 56.66 3hqo s TYR 142 Cb -0.13 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3hqo s TYR 142 CO -0.09 -0.04 -0.09 0.42 -1.11 0.00 0.00 175.55 174.64 3hqo s ILE 143 N 1.43 3.51 -0.29 2.71 -1.09 0.20 -1.28 121.20 126.38 3hqo s ILE 143 Ca 0.18 -0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 58.06 3hqo s ILE 143 Cb -0.15 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.27 3hqo s ILE 143 CO 0.08 0.56 0.03 -0.67 -1.23 0.00 0.00 174.94 173.70 3hqo n ASP 144 N 2.82 -7.61 -3.65 3.58 2.03 0.31 -1.75 116.55 112.27 3hqo n ASP 144 Ca -0.18 1.30 -0.28 0.00 0.52 0.00 0.00 54.79 56.15 3hqo n ASP 144 Cb 0.53 -5.05 -0.06 0.00 -0.72 0.00 0.00 41.12 35.82 3hqo n ASP 144 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hqo n ASP 145 N 0.61 -0.88 -0.49 1.67 8.00 -1.25 -0.12 116.55 124.09 3hqo n ASP 145 Ca 0.01 -0.87 -0.06 0.00 0.71 0.00 0.00 54.79 54.57 3hqo n ASP 145 Cb 0.02 -1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 39.98 3hqo n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqo n GLY 146 N -1.14 0.87 0.06 0.44 0.00 -1.25 -4.82 105.19 99.36 3hqo n GLY 146 Ca 0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 3hqo n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hqo h ILE 147 N 0.00 0.62 -3.47 -0.61 2.04 -0.41 -3.46 117.51 112.22 3hqo h ILE 147 Ca -0.13 -1.51 -0.61 0.00 1.00 0.00 0.00 64.86 63.60 3hqo h ILE 147 Cb 0.43 1.22 -0.13 0.00 -0.74 0.00 0.00 36.82 37.59 3hqo h ILE 147 CO 0.19 0.21 -0.47 -0.22 0.00 0.00 0.00 178.15 177.86 3hqo s LEU 148 N -8.34 4.15 -0.08 1.44 2.96 -0.72 -4.98 118.68 113.13 3hqo s LEU 148 Ca -0.11 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3hqo s LEU 148 Cb 0.00 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3hqo s LEU 148 CO 0.29 0.09 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.57 3hqo s ILE 149 N 0.83 2.30 -0.13 6.68 1.01 -1.26 0.58 121.20 131.22 3hqo s ILE 149 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3hqo s ILE 149 Cb -0.13 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3hqo s ILE 149 CO 0.03 0.56 -0.13 -0.76 0.00 0.00 0.00 174.94 174.64 3hqo s LEU 150 N -0.04 2.70 -0.23 2.97 1.43 -0.30 -2.03 118.68 123.19 3hqo s LEU 150 Ca -0.06 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 3hqo s LEU 150 Cb -0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3hqo s LEU 150 CO 0.05 0.17 0.31 -1.58 0.23 0.00 0.00 176.35 175.53 3hqo s GLN 151 N 0.31 4.11 -0.09 1.70 0.74 0.83 -0.59 119.66 126.68 3hqo s GLN 151 Ca -0.11 0.01 -0.30 0.00 0.05 0.00 0.00 55.36 55.02 3hqo s GLN 151 Cb -0.16 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 3hqo s GLN 151 CO 0.06 -0.06 1.29 0.08 -0.55 0.00 0.00 175.29 176.11 3hqo s VAL 152 N 1.38 4.12 -0.18 1.34 1.01 -0.94 -0.20 120.40 126.93 3hqo s VAL 152 Ca 0.14 1.42 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 3hqo s VAL 152 Cb -0.15 -3.91 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 3hqo s VAL 152 CO 0.07 -0.06 0.18 0.00 0.00 0.00 0.00 175.10 175.30 3hqo n GLN 153 N 5.89 0.66 -3.81 2.72 1.13 0.11 -0.04 117.38 124.04 3hqo n GLN 153 Ca 0.13 0.38 -0.02 0.00 -1.94 0.00 0.00 57.00 55.55 3hqo n GLN 153 Cb 0.45 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3hqo n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hqo s SER 154 N -6.97 -0.06 0.70 1.08 1.04 -1.19 -4.71 113.70 103.59 3hqo s SER 154 Ca -0.28 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.63 3hqo s SER 154 Cb 0.07 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.65 3hqo s SER 154 CO 0.66 -0.77 1.02 -1.00 0.98 0.00 0.00 173.24 174.13 3hqo s HIS 155 N -2.53 2.98 0.00 5.02 3.76 -1.26 -0.80 115.29 122.46 3hqo s HIS 155 Ca 0.18 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 3hqo s HIS 155 Cb -0.01 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.52 3hqo s HIS 155 CO 0.02 -1.36 0.00 0.39 -0.85 0.00 0.00 174.74 172.94 3hqo n GLU 156 N -2.92 0.41 -0.26 1.40 -0.58 -0.36 -4.64 120.64 113.69 3hqo n GLU 156 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3hqo n GLU 156 Cb 0.60 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 3hqo n GLU 156 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hqo n ASP 157 N -2.09 0.00 -2.13 1.62 5.68 -1.24 -4.97 116.55 113.42 3hqo n ASP 157 Ca 0.00 -0.19 -0.19 0.00 -0.50 0.00 0.00 54.79 53.91 3hqo n ASP 157 Cb 0.34 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 3hqo n ASP 157 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3hqo n GLU 158 N 0.00 2.02 0.00 0.11 2.13 -1.26 -3.72 120.64 119.92 3hqo n GLU 158 Ca 0.00 -1.66 0.00 0.00 0.66 0.00 0.00 57.16 56.16 3hqo n GLU 158 Cb 0.00 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 29.86 3hqo n GLU 158 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hqo n GLN 159 N 1.03 0.00 -4.45 5.31 6.02 -1.26 -5.02 117.38 119.01 3hqo n GLN 159 Ca 0.37 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.15 3hqo n GLN 159 Cb 0.62 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.74 3hqo n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqo s THR 160 N -0.28 1.29 0.02 5.09 2.01 -1.24 -0.63 115.64 121.89 3hqo s THR 160 Ca 0.00 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 61.03 3hqo s THR 160 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 3hqo s THR 160 CO 0.00 0.08 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.01 3hqo s LEU 161 N -1.12 2.12 -0.08 4.42 1.43 -0.91 -1.22 118.68 123.33 3hqo s LEU 161 Ca 0.04 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 3hqo s LEU 161 Cb -0.08 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3hqo s LEU 161 CO 0.01 0.24 0.56 -0.70 0.23 0.00 0.00 176.35 176.69 3hqo s GLU 162 N -0.97 4.34 -0.03 1.70 2.12 0.02 -2.52 118.70 123.37 3hqo s GLU 162 Ca 0.09 0.62 -0.01 0.00 0.36 0.00 0.00 54.97 56.03 3hqo s GLU 162 Cb -0.09 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.92 3hqo s GLU 162 CO 0.01 0.20 0.06 0.00 -0.54 0.00 0.00 175.26 174.99 3hqo s THR 164 N 1.56 4.17 -0.34 0.00 2.01 0.72 -0.92 115.64 122.84 3hqo s THR 164 Ca -0.03 1.64 -0.21 0.00 0.31 0.00 0.00 61.69 63.39 3hqo s THR 164 Cb -0.12 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.34 3hqo s THR 164 CO -0.03 0.17 0.69 -0.69 -0.69 0.00 0.00 174.62 174.07 3hqo s VAL 165 N 0.68 4.85 -0.61 3.82 1.01 -0.43 -0.12 120.40 129.61 3hqo s VAL 165 Ca 0.55 0.82 0.24 0.00 0.00 0.00 0.00 61.98 63.59 3hqo s VAL 165 Cb -0.28 -4.10 0.12 0.00 0.00 0.00 0.00 36.38 32.13 3hqo s VAL 165 CO 0.30 -0.28 1.42 0.71 0.00 0.00 0.00 175.10 177.25 3hqo h THR 166 N 5.64 0.00 -3.10 3.92 1.35 -1.73 -1.09 112.91 117.91 3hqo h THR 166 Ca -0.26 -0.57 -0.12 0.00 -0.55 0.00 0.00 66.41 64.91 3hqo h THR 166 Cb 1.11 1.26 -0.21 0.00 -1.73 0.00 0.00 68.15 68.58 3hqo h THR 166 CO 0.85 0.00 -0.32 0.54 -0.25 0.00 0.00 175.52 176.34 3hqo s ASN 167 N -4.53 -0.17 0.32 5.36 6.03 -1.26 -4.78 114.94 115.91 3hqo s ASN 167 Ca 0.07 0.11 -0.27 0.00 -1.03 0.00 0.00 52.86 51.73 3hqo s ASN 167 Cb 0.12 0.33 -0.09 0.00 -3.03 0.00 0.00 41.25 38.58 3hqo s ASN 167 CO 0.69 -0.40 1.03 -0.44 -2.03 0.00 0.00 177.10 175.96 3hqo s SER 168 N -1.16 7.19 0.00 3.54 0.01 -1.26 -4.21 113.70 117.80 3hqo s SER 168 Ca -0.12 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.22 3hqo s SER 168 Cb -0.05 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.57 3hqo s SER 168 CO 0.03 -0.19 0.00 1.57 0.41 0.00 0.00 173.24 175.07 3hqo n HIS 169 N 0.76 0.00 -3.33 2.43 -0.00 -0.56 -4.93 115.22 109.58 3hqo n HIS 169 Ca 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.35 3hqo n HIS 169 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.40 3hqo n HIS 169 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3hqo s THR 170 N -1.10 5.18 -0.09 3.57 2.01 -1.26 -2.34 115.64 121.62 3hqo s THR 170 Ca 0.00 0.87 0.02 0.00 0.31 0.00 0.00 61.69 62.88 3hqo s THR 170 Cb 0.00 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3hqo s THR 170 CO 0.00 0.28 -0.12 0.27 -0.69 0.00 0.00 174.62 174.36 3hqo s ILE 171 N 0.99 3.18 0.00 1.82 -4.36 -0.47 -4.98 121.20 117.37 3hqo s ILE 171 Ca 0.23 -0.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 3hqo s ILE 171 Cb -0.15 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.27 3hqo s ILE 171 CO 0.09 0.56 0.00 -1.20 0.24 0.00 0.00 174.94 174.63 3hqo n SER 172 N 2.80 0.00 -4.76 4.36 7.64 -1.26 -0.39 113.62 122.00 3hqo n SER 172 Ca -0.18 -0.42 -0.37 0.00 1.01 0.00 0.00 58.87 58.91 3hqo n SER 172 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 3hqo n SER 172 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hqo s ASP 173 N -1.00 5.65 -1.37 6.43 1.11 -1.08 -4.12 116.67 122.30 3hqo s ASP 173 Ca 0.00 2.45 -0.02 0.00 0.18 0.00 0.00 52.55 55.16 3hqo s ASP 173 Cb 0.00 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.39 3hqo s ASP 173 CO 0.00 -1.28 0.67 0.54 1.18 0.00 0.00 175.17 176.28 3hqo n ARG 174 N -0.94 -4.60 -2.45 8.23 1.74 -1.24 -4.95 116.66 112.44 3hqo n ARG 174 Ca 0.10 0.56 -0.41 0.00 -0.77 0.00 0.00 57.85 57.33 3hqo n ARG 174 Cb 0.48 -5.07 -0.04 0.00 -1.02 0.00 0.00 32.46 26.81 3hqo n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hqo s ARG 175 N -6.21 4.57 0.06 5.56 1.81 -1.26 -4.61 118.95 118.87 3hqo s ARG 175 Ca 0.10 1.80 -0.31 0.00 -1.72 0.00 0.00 55.73 55.61 3hqo s ARG 175 Cb -0.05 -3.23 -0.08 0.00 -0.45 0.00 0.00 34.95 31.14 3hqo s ARG 175 CO 0.83 0.06 1.55 0.20 -0.68 0.00 0.00 175.30 177.26 3hqo s GLY 176 N -0.28 1.68 -0.10 -3.53 0.00 -1.26 -1.10 107.32 102.73 3hqo s GLY 176 Ca 0.49 1.12 -0.12 0.00 0.00 0.00 0.00 44.72 46.21 3hqo s GLY 176 CO 0.38 2.71 0.27 0.54 0.00 0.00 0.00 173.10 177.00 3hqo s VAL 177 N 2.30 5.29 -0.10 1.40 0.11 0.08 -0.53 120.40 128.95 3hqo s VAL 177 Ca 0.70 0.52 0.02 0.00 -2.93 0.00 0.00 61.98 60.28 3hqo s VAL 177 Cb -0.37 -3.58 0.01 0.00 -1.53 0.00 0.00 36.38 30.91 3hqo s VAL 177 CO 0.30 0.51 -0.16 0.20 -3.33 0.00 0.00 175.10 172.63 3hqo s ASN 178 N -0.43 2.38 -0.37 3.54 0.01 -0.41 -4.20 114.94 115.46 3hqo s ASN 178 Ca 0.18 -0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 51.86 3hqo s ASN 178 Cb -0.14 -1.07 0.07 0.00 0.41 0.00 0.00 41.25 40.52 3hqo s ASN 178 CO 0.06 0.03 0.15 -0.76 -1.51 0.00 0.00 177.10 175.08 3hqo s LEU 179 N 0.85 4.69 -0.03 0.60 1.43 -1.26 -3.13 118.68 121.83 3hqo s LEU 179 Ca -0.10 -1.50 -0.30 0.00 -1.03 0.00 0.00 54.13 51.21 3hqo s LEU 179 Cb -0.15 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3hqo s LEU 179 CO 0.01 -0.42 1.09 -2.84 0.23 0.00 0.00 176.35 174.41 3hqo s PRO 180 N 1.31 4.45 0.00 1.29 0.02 -1.26 -3.83 135.00 136.97 3hqo s PRO 180 Ca 0.01 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.58 3hqo s PRO 180 Cb -0.21 -3.48 0.00 0.00 0.02 0.00 0.00 34.50 30.82 3hqo s PRO 180 CO -0.00 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 3hqo n GLY 181 N 3.13 0.37 0.91 0.52 0.00 -1.26 -4.92 105.19 103.95 3hqo n GLY 181 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3hqo n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqo n ASP 183 N 0.39 -1.73 -4.51 0.00 4.64 -1.26 -4.72 116.55 109.36 3hqo n ASP 183 Ca 0.12 0.18 -0.40 0.00 -1.38 0.00 0.00 54.79 53.31 3hqo n ASP 183 Cb 0.51 -1.84 -0.08 0.00 -1.04 0.00 0.00 41.12 38.67 3hqo n ASP 183 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3hqo n VAL 184 N -1.61 -0.01 -2.14 5.18 0.24 -1.26 -4.87 118.33 113.87 3hqo n VAL 184 Ca -0.06 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.39 3hqo n VAL 184 Cb 0.25 -1.77 -0.03 0.00 -1.47 0.00 0.00 33.84 30.83 3hqo n VAL 184 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hqo s ASP 185 N 10.21 6.49 -0.10 -1.34 2.15 -1.26 -4.99 116.67 127.82 3hqo s ASP 185 Ca 1.14 1.71 -0.06 0.00 0.43 0.00 0.00 52.55 55.77 3hqo s ASP 185 Cb -0.69 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 39.44 3hqo s ASP 185 CO 0.38 -1.15 0.25 -0.22 -0.17 0.00 0.00 175.17 174.26 3hqo s LEU 186 N 4.83 0.53 -0.19 -1.34 0.20 -1.26 -5.11 118.68 116.35 3hqo s LEU 186 Ca 0.70 0.52 -0.17 0.00 0.69 0.00 0.00 54.13 55.87 3hqo s LEU 186 Cb -0.26 0.77 -0.07 0.00 -0.43 0.00 0.00 46.19 46.20 3hqo s LEU 186 CO 0.28 -0.15 0.74 -2.65 -0.29 0.00 0.00 176.35 174.28 3hqo n PRO 187 N 3.98 0.00 0.07 0.98 -0.02 -1.26 -4.78 135.00 133.97 3hqo n PRO 187 Ca -0.23 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.41 3hqo n PRO 187 Cb 0.54 -0.56 0.66 0.00 -0.02 0.00 0.00 33.50 34.12 3hqo n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqo h ALA 188 N 2.93 2.31 -2.92 3.55 0.00 -1.99 -3.30 119.26 119.83 3hqo h ALA 188 Ca -0.07 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.27 3hqo h ALA 188 Cb 0.53 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.93 3hqo h ALA 188 CO 0.40 -0.41 -0.77 0.54 0.00 0.00 0.00 179.25 179.00 3hqo s VAL 189 N -5.07 0.36 0.62 0.00 0.11 -1.26 -4.68 120.40 110.48 3hqo s VAL 189 Ca -0.05 -1.14 -0.13 0.00 -2.93 0.00 0.00 61.98 57.72 3hqo s VAL 189 Cb 0.19 -1.29 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3hqo s VAL 189 CO 0.72 -0.74 1.04 -0.94 -3.33 0.00 0.00 175.10 171.85 3hqo s SER 190 N 1.77 5.94 0.18 3.54 1.04 -1.24 -4.89 113.70 120.04 3hqo s SER 190 Ca 0.10 1.59 -0.13 0.00 0.48 0.00 0.00 55.95 57.99 3hqo s SER 190 Cb -0.17 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.62 3hqo s SER 190 CO -0.28 -1.06 1.73 0.00 0.98 0.00 0.00 173.24 174.61 3hqo h ALA 191 N -0.08 0.57 -0.90 5.32 0.00 -1.96 -1.15 119.26 121.06 3hqo h ALA 191 Ca -0.45 0.08 0.20 0.00 0.00 0.00 0.00 54.91 54.74 3hqo h ALA 191 Cb 1.20 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 3hqo h ALA 191 CO 0.59 -0.26 0.59 0.87 0.00 0.00 0.00 179.25 181.05 3hqo h LYS 192 N 0.30 0.43 -0.04 0.00 1.57 -1.97 -2.66 116.57 114.20 3hqo h LYS 192 Ca 0.24 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 3hqo h LYS 192 Cb 0.28 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hqo h LYS 192 CO -0.27 0.29 -0.60 -0.44 -0.57 0.00 0.00 179.45 177.86 3hqo h ASP 193 N 0.45 0.60 -0.84 0.86 3.32 -1.58 -1.94 116.42 117.29 3hqo h ASP 193 Ca 0.47 -0.71 0.10 0.00 0.02 0.00 0.00 57.03 56.92 3hqo h ASP 193 Cb 1.12 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 3hqo h ASP 193 CO -0.19 1.23 0.54 0.03 -1.72 0.00 0.00 179.24 179.13 3hqo h ARG 194 N 0.03 0.75 0.25 3.56 3.08 -1.17 0.83 114.38 121.70 3hqo h ARG 194 Ca -0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3hqo h ARG 194 Cb 1.28 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3hqo h ARG 194 CO 0.12 0.49 -0.12 0.28 -1.07 0.00 0.00 179.97 179.67 3hqo h VAL 195 N 0.77 0.79 -0.60 2.04 2.07 -1.49 -2.61 116.25 117.23 3hqo h VAL 195 Ca 0.39 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3hqo h VAL 195 Cb 0.47 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3hqo h VAL 195 CO -0.16 0.05 0.38 0.44 0.02 0.00 0.00 177.57 178.31 3hqo h ASP 196 N -0.46 0.70 -0.17 0.57 3.32 -0.24 -2.73 116.42 117.40 3hqo h ASP 196 Ca -0.03 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3hqo h ASP 196 Cb 0.35 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3hqo h ASP 196 CO 0.06 0.52 0.02 -0.07 -1.72 0.00 0.00 179.24 178.04 3hqo h LEU 197 N 0.81 0.29 -0.92 1.55 3.38 0.52 -2.66 115.31 118.28 3hqo h LEU 197 Ca 0.22 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.03 3hqo h LEU 197 Cb -0.07 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3hqo h LEU 197 CO -0.04 0.49 0.55 -0.61 0.09 0.00 0.00 178.44 178.91 3hqo h GLN 198 N 0.07 0.84 -0.40 1.13 4.15 -1.42 0.28 115.11 119.75 3hqo h GLN 198 Ca 0.05 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3hqo h GLN 198 Cb 0.33 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3hqo h GLN 198 CO 0.01 0.55 0.18 0.35 -1.93 0.00 0.00 178.83 177.99 3hqo h PHE 199 N 0.86 0.55 -0.34 3.99 3.57 -1.33 -1.96 116.94 122.28 3hqo h PHE 199 Ca 0.46 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.89 3hqo h PHE 199 Cb 0.48 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3hqo h PHE 199 CO -0.04 0.42 -0.01 0.78 -2.23 0.00 0.00 178.31 177.24 3hqo h GLY 200 N 0.69 0.65 1.01 2.40 0.00 -0.61 -2.39 103.07 104.83 3hqo h GLY 200 Ca 0.14 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3hqo h GLY 200 CO -0.02 0.45 0.22 -2.08 0.00 0.00 0.00 176.54 175.11 3hqo h VAL 201 N 0.41 1.24 -0.14 4.60 2.07 -1.00 0.17 116.25 123.60 3hqo h VAL 201 Ca 0.10 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3hqo h VAL 201 Cb 0.46 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3hqo h VAL 201 CO 0.02 0.31 0.04 -0.33 0.02 0.00 0.00 177.57 177.64 3hqo h GLU 202 N 0.91 0.22 0.00 1.57 5.08 -1.33 -3.06 114.58 117.97 3hqo h GLU 202 Ca 0.21 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3hqo h GLU 202 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3hqo h GLU 202 CO -0.01 0.35 -0.43 1.96 -1.00 0.00 0.00 179.01 179.88 3hqo h GLN 203 N 0.05 0.00 -0.57 2.33 1.08 -1.41 -3.48 115.11 113.11 3hqo h GLN 203 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3hqo h GLN 203 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3hqo h GLN 203 CO -0.00 0.43 0.00 0.41 -0.95 0.00 0.00 178.83 178.72 3hqo n GLY 204 N 0.80 0.62 3.75 3.46 0.00 0.43 -5.07 105.19 109.19 3hqo n GLY 204 Ca 0.01 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3hqo n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqo s VAL 205 N -1.85 2.38 0.04 1.61 -7.23 -0.29 -4.97 120.40 110.09 3hqo s VAL 205 Ca 0.00 0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.46 3hqo s VAL 205 Cb 0.00 -3.12 -0.25 0.00 0.56 0.00 0.00 36.38 33.57 3hqo s VAL 205 CO 0.00 -0.03 0.98 0.44 -0.31 0.00 0.00 175.10 176.18 3hqo h ASP 206 N 1.17 0.21 -5.03 4.85 3.32 -1.66 -3.46 116.42 115.82 3hqo h ASP 206 Ca -0.51 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.18 3hqo h ASP 206 Cb 1.30 -0.07 -0.17 0.00 0.22 0.00 0.00 39.33 40.61 3hqo h ASP 206 CO 0.56 1.23 -0.18 0.00 -1.72 0.00 0.00 179.24 179.13 3hqo s MET 207 N -2.65 0.84 -0.21 3.56 0.23 -1.19 -3.00 119.30 116.88 3hqo s MET 207 Ca -0.05 -0.36 -0.05 0.00 -1.03 0.00 0.00 55.69 54.20 3hqo s MET 207 Cb 0.08 0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 3hqo s MET 207 CO 0.84 -0.27 -0.01 0.42 -2.03 0.00 0.00 175.02 173.97 3hqo s ILE 208 N -2.25 3.76 -0.90 3.16 -1.09 0.48 -1.46 121.20 122.89 3hqo s ILE 208 Ca -0.07 -0.37 -0.19 0.00 -2.23 0.00 0.00 60.65 57.79 3hqo s ILE 208 Cb -0.02 -2.71 0.13 0.00 -1.58 0.00 0.00 42.46 38.28 3hqo s ILE 208 CO -0.01 0.42 1.09 -0.36 -1.23 0.00 0.00 174.94 174.85 3hqo s PHE 209 N 1.25 3.10 -0.17 3.97 0.08 0.20 0.06 117.98 126.48 3hqo s PHE 209 Ca 0.03 -1.33 -0.29 0.00 0.12 0.00 0.00 56.93 55.46 3hqo s PHE 209 Cb -0.15 -4.26 -0.02 0.00 -0.57 0.00 0.00 43.02 38.02 3hqo s PHE 209 CO 0.00 -1.48 1.39 0.00 -0.10 0.00 0.00 175.22 175.03 3hqo s ALA 210 N 2.73 3.57 0.50 5.36 0.00 0.22 -2.10 121.76 132.04 3hqo s ALA 210 Ca 0.31 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 3hqo s ALA 210 Cb -0.06 -3.69 -0.08 0.00 0.00 0.00 0.00 23.12 19.28 3hqo s ALA 210 CO -0.08 -1.39 0.99 -1.12 0.00 0.00 0.00 175.76 174.17 3hqo s SER 211 N 2.62 6.57 -1.62 0.00 0.01 -1.26 -0.46 113.70 119.56 3hqo s SER 211 Ca 0.61 1.66 -0.18 0.00 1.31 0.00 0.00 55.95 59.35 3hqo s SER 211 Cb -0.24 -2.52 0.16 0.00 0.21 0.00 0.00 66.02 63.63 3hqo s SER 211 CO 0.20 -0.62 0.67 0.49 0.41 0.00 0.00 173.24 174.39 3hqo n PHE 212 N -1.37 -1.62 -1.96 2.43 3.72 -1.22 -4.69 117.46 112.75 3hqo n PHE 212 Ca 0.07 0.69 -0.41 0.00 -0.05 0.00 0.00 57.45 57.75 3hqo n PHE 212 Cb 0.54 -2.58 -0.02 0.00 -0.94 0.00 0.00 39.48 36.48 3hqo n PHE 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hqo s ILE 213 N -3.16 2.44 0.00 4.37 -1.09 -1.15 -4.84 121.20 117.76 3hqo s ILE 213 Ca 0.69 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 3hqo s ILE 213 Cb -0.39 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 3hqo s ILE 213 CO 0.85 0.08 0.00 -2.11 -1.23 0.00 0.00 174.94 172.53 3hqo n ARG 214 N 1.38 3.41 -3.93 2.79 1.85 -1.26 -4.28 116.66 116.62 3hqo n ARG 214 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.79 3hqo n ARG 214 Cb 0.40 -0.58 -0.07 0.00 -1.05 0.00 0.00 32.46 31.16 3hqo n ARG 214 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3hqo s SER 215 N -0.71 0.01 0.04 2.89 1.04 -1.26 -3.92 113.70 111.80 3hqo s SER 215 Ca 0.00 -0.82 -0.24 0.00 0.48 0.00 0.00 55.95 55.38 3hqo s SER 215 Cb 0.00 0.45 -0.16 0.00 0.10 0.00 0.00 66.02 66.41 3hqo s SER 215 CO 0.00 -0.90 1.52 0.00 0.98 0.00 0.00 173.24 174.83 3hqo h ALA 216 N 2.51 0.05 -1.02 5.32 0.00 -1.89 -2.81 119.26 121.42 3hqo h ALA 216 Ca -0.31 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 54.71 3hqo h ALA 216 Cb 1.23 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 3hqo h ALA 216 CO 0.47 -0.32 0.63 1.49 0.00 0.00 0.00 179.25 181.52 3hqo h GLU 217 N -0.17 0.51 -0.60 0.00 4.81 -1.97 -0.88 114.58 116.28 3hqo h GLU 217 Ca 0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3hqo h GLU 217 Cb 0.25 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3hqo h GLU 217 CO 0.00 0.34 0.26 0.37 -0.73 0.00 0.00 179.01 179.25 3hqo h GLN 218 N 0.52 0.85 -0.49 1.92 4.15 -1.91 -2.67 115.11 117.49 3hqo h GLN 218 Ca 0.61 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.82 3hqo h GLN 218 Cb 1.30 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 3hqo h GLN 218 CO -0.38 0.68 -0.08 0.28 -1.93 0.00 0.00 178.83 177.40 3hqo h VAL 219 N 0.85 1.27 -0.48 2.39 2.07 -1.14 -2.94 116.25 118.27 3hqo h VAL 219 Ca 0.21 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.59 3hqo h VAL 219 Cb 0.13 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3hqo h VAL 219 CO -0.02 0.42 0.17 1.23 0.02 0.00 0.00 177.57 179.39 3hqo h GLY 220 N 0.77 0.63 0.72 2.17 0.00 -1.42 -0.98 103.07 104.96 3hqo h GLY 220 Ca 0.13 -0.10 0.18 0.00 0.00 0.00 0.00 47.33 47.54 3hqo h GLY 220 CO 0.04 0.02 0.46 -0.55 0.00 0.00 0.00 176.54 176.51 3hqo h ASP 221 N 0.35 0.05 0.08 0.19 3.32 -1.31 0.34 116.42 119.43 3hqo h ASP 221 Ca 0.23 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3hqo h ASP 221 Cb 0.23 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3hqo h ASP 221 CO -0.23 0.03 -0.04 0.58 -1.72 0.00 0.00 179.24 177.86 3hqo h VAL 222 N 0.05 1.13 -0.42 -1.35 2.07 -1.07 -2.40 116.25 114.26 3hqo h VAL 222 Ca 0.31 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3hqo h VAL 222 Cb 1.17 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 3hqo h VAL 222 CO -0.02 0.32 0.00 -0.09 0.02 0.00 0.00 177.57 177.80 3hqo h ARG 223 N -0.83 0.68 -0.41 1.57 2.43 -0.74 -0.05 114.38 117.03 3hqo h ARG 223 Ca -0.01 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 3hqo h ARG 223 Cb 0.60 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3hqo h ARG 223 CO 0.02 0.70 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.88 3hqo h LYS 224 N 0.65 0.71 0.00 0.20 3.64 -0.48 -2.74 116.57 118.55 3hqo h LYS 224 Ca 0.13 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3hqo h LYS 224 Cb 0.40 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3hqo h LYS 224 CO 0.02 0.78 -0.34 0.00 -2.27 0.00 0.00 179.45 177.63 3hqo h ALA 225 N 1.26 0.90 0.00 5.00 0.00 -0.81 -2.82 119.26 122.79 3hqo h ALA 225 Ca 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hqo h ALA 225 Cb 0.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hqo h ALA 225 CO 0.03 0.42 -0.16 -0.07 0.00 0.00 0.00 179.25 179.47 3hqo h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -0.73 -3.43 115.31 114.53 3hqo h LEU 226 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hqo h LEU 226 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3hqo h LEU 226 CO 0.04 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.35 3hqo n GLY 227 N -0.14 -2.60 0.24 0.83 0.00 -1.07 -3.71 105.19 98.75 3hqo n GLY 227 Ca -0.00 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.52 3hqo n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqo h PRO 228 N 0.00 0.00 -0.06 1.61 0.11 -1.88 -3.19 132.00 128.60 3hqo h PRO 228 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3hqo h PRO 228 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hqo h PRO 228 CO 0.00 0.02 -0.31 0.87 -0.21 0.00 0.00 178.00 178.37 3hqo h LYS 229 N 0.00 0.11 -1.82 1.05 1.79 -1.99 -3.26 116.57 112.45 3hqo h LYS 229 Ca -0.00 -0.04 -0.63 0.00 -2.18 0.00 0.00 60.65 57.81 3hqo h LYS 229 Cb 0.81 -0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 31.06 3hqo h LYS 229 CO 0.00 0.41 -0.38 0.41 -1.08 0.00 0.00 179.45 178.82 3hqo n GLY 230 N -0.54 5.86 0.10 3.86 0.00 -1.20 -4.70 105.19 108.56 3hqo n GLY 230 Ca -0.02 -2.73 -0.03 0.00 0.00 0.00 0.00 46.02 43.25 3hqo n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqo h ARG 231 N 2.83 0.00 0.00 1.61 0.11 -1.68 -3.33 114.38 113.92 3hqo h ARG 231 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3hqo h ARG 231 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 3hqo h ARG 231 CO 0.94 0.77 0.00 -0.44 0.10 0.00 0.00 179.97 181.34 3hqo h ASP 232 N 0.00 0.00 -3.48 0.08 3.32 -1.89 -3.46 116.42 111.00 3hqo h ASP 232 Ca -0.01 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 3hqo h ASP 232 Cb 1.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.12 3hqo h ASP 232 CO 0.10 0.00 0.53 -0.63 -1.72 0.00 0.00 179.24 177.52 3hqo s ILE 233 N -3.21 3.74 0.46 0.35 1.01 -1.25 -5.03 121.20 117.27 3hqo s ILE 233 Ca 0.08 1.44 -0.21 0.00 0.00 0.00 0.00 60.65 61.97 3hqo s ILE 233 Cb 0.08 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 3hqo s ILE 233 CO 0.62 0.22 1.00 -0.04 0.00 0.00 0.00 174.94 176.74 3hqo s MET 234 N -0.13 3.99 -0.36 2.79 -1.94 -1.16 -4.90 119.30 117.57 3hqo s MET 234 Ca 0.52 1.27 0.04 0.00 -1.71 0.00 0.00 55.69 55.81 3hqo s MET 234 Cb -0.31 -2.14 0.10 0.00 2.01 0.00 0.00 34.83 34.49 3hqo s MET 234 CO 0.35 -0.26 0.08 0.42 -0.01 0.00 0.00 175.02 175.60 3hqo s ILE 235 N -2.05 2.34 -0.39 2.53 1.01 -1.26 -0.39 121.20 122.99 3hqo s ILE 235 Ca 0.65 -2.47 -0.20 0.00 0.00 0.00 0.00 60.65 58.63 3hqo s ILE 235 Cb -0.14 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.63 3hqo s ILE 235 CO 0.17 -0.63 0.60 -0.63 0.00 0.00 0.00 174.94 174.45 3hqo s ILE 236 N 0.75 4.91 -0.14 2.92 -1.09 0.11 -1.81 121.20 126.85 3hqo s ILE 236 Ca 0.12 0.30 -0.29 0.00 -2.23 0.00 0.00 60.65 58.54 3hqo s ILE 236 Cb -0.20 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 3hqo s ILE 236 CO -0.07 -0.40 1.01 0.00 -1.23 0.00 0.00 174.94 174.25 3hqo s LYS 238 N 2.29 3.30 -0.57 0.00 1.02 0.39 -0.70 119.74 125.47 3hqo s LYS 238 Ca 0.47 -0.36 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 3hqo s LYS 238 Cb -0.17 -4.04 0.03 0.00 -0.52 0.00 0.00 37.83 33.13 3hqo s LYS 238 CO 0.15 -1.35 1.09 0.42 -0.92 0.00 0.00 175.35 174.74 3hqo s ILE 239 N 3.53 4.17 0.00 2.17 -1.09 -0.37 -2.95 121.20 126.66 3hqo s ILE 239 Ca 0.27 0.66 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 3hqo s ILE 239 Cb -0.14 -4.65 0.10 0.00 -1.58 0.00 0.00 42.46 36.19 3hqo s ILE 239 CO 0.18 -1.25 0.98 -1.84 -1.23 0.00 0.00 174.94 171.79 3hqo n GLU 240 N 8.04 0.00 -4.14 2.79 0.28 -1.26 -3.42 120.64 122.93 3hqo n GLU 240 Ca 0.06 -1.11 -0.12 0.00 -0.16 0.00 0.00 57.16 55.82 3hqo n GLU 240 Cb 0.48 -0.27 -0.08 0.00 1.43 0.00 0.00 31.44 33.00 3hqo n GLU 240 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hqo s ASN 241 N -1.11 0.36 0.14 -1.84 2.20 -1.26 -3.52 114.94 109.91 3hqo s ASN 241 Ca 0.08 -1.32 -0.20 0.00 -0.94 0.00 0.00 52.86 50.48 3hqo s ASN 241 Cb 0.09 0.50 -0.00 0.00 -2.00 0.00 0.00 41.25 39.84 3hqo s ASN 241 CO -0.04 -1.02 1.69 -0.74 -2.94 0.00 0.00 177.10 174.05 3hqo h HIS 242 N 2.39 -0.20 0.01 1.54 -0.00 -1.95 -3.07 115.15 113.87 3hqo h HIS 242 Ca -0.31 0.02 -0.25 0.00 -0.00 0.00 0.00 60.37 59.83 3hqo h HIS 242 Cb 1.25 0.12 0.01 0.00 -0.00 0.00 0.00 27.41 28.79 3hqo h HIS 242 CO 0.68 -0.14 -1.02 -0.56 -0.00 0.00 0.00 177.93 176.89 3hqo h GLN 243 N -0.05 0.57 -1.01 5.26 3.07 -1.94 -3.16 115.11 117.85 3hqo h GLN 243 Ca 0.11 -0.63 0.25 0.00 0.09 0.00 0.00 58.65 58.47 3hqo h GLN 243 Cb 0.22 0.18 -0.12 0.00 0.08 0.00 0.00 27.48 27.84 3hqo h GLN 243 CO -0.25 1.24 0.60 0.78 0.09 0.00 0.00 178.83 181.29 3hqo h GLY 244 N 0.76 1.88 0.87 0.06 0.00 -1.65 0.22 103.07 105.19 3hqo h GLY 244 Ca -0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3hqo h GLY 244 CO 0.19 -0.25 -0.14 -2.08 0.00 0.00 0.00 176.54 174.26 3hqo h VAL 245 N 0.56 1.30 -0.19 4.60 2.07 -1.54 -2.34 116.25 120.71 3hqo h VAL 245 Ca 0.65 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 3hqo h VAL 245 Cb 1.26 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3hqo h VAL 245 CO -0.47 0.39 -0.19 -0.61 0.02 0.00 0.00 177.57 176.71 3hqo h GLN 246 N 0.26 0.33 -0.64 1.57 4.15 -0.97 -2.72 115.11 117.09 3hqo h GLN 246 Ca 0.05 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3hqo h GLN 246 Cb 0.66 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.32 3hqo h GLN 246 CO 0.04 0.52 0.00 0.09 -1.93 0.00 0.00 178.83 177.55 3hqo n ASN 247 N -4.19 5.12 -0.32 -0.69 3.02 0.57 -4.67 115.26 114.10 3hqo n ASN 247 Ca -0.00 -2.62 0.17 0.00 -0.03 0.00 0.00 54.58 52.11 3hqo n ASN 247 Cb 0.34 -0.62 0.37 0.00 -0.61 0.00 0.00 39.78 39.26 3hqo n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqo h ILE 248 N 4.08 0.38 0.04 2.41 6.09 -1.09 -2.50 117.51 126.92 3hqo h ILE 248 Ca 0.00 -0.12 0.02 0.00 -1.37 0.00 0.00 64.86 63.39 3hqo h ILE 248 Cb 1.64 -0.00 -0.05 0.00 0.47 0.00 0.00 36.82 38.89 3hqo h ILE 248 CO 0.33 0.06 -0.47 0.44 -3.07 0.00 0.00 178.15 175.44 3hqo h ASP 249 N 0.35 -1.45 0.69 2.19 3.32 -1.85 -0.10 116.42 119.56 3hqo h ASP 249 Ca 0.63 0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.76 3hqo h ASP 249 Cb 1.31 0.54 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 3hqo h ASP 249 CO -0.58 -0.48 -0.36 0.77 -1.72 0.00 0.00 179.24 176.87 3hqo h SER 250 N -0.63 0.00 -0.21 6.45 4.64 -1.87 -2.74 113.55 119.20 3hqo h SER 250 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3hqo h SER 250 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3hqo h SER 250 CO -0.29 0.36 -0.13 0.40 -0.87 0.00 0.00 176.83 176.30 3hqo h ILE 251 N 0.00 1.31 -0.48 0.95 2.04 -1.11 -2.98 117.51 117.23 3hqo h ILE 251 Ca -0.00 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 64.70 3hqo h ILE 251 Cb 0.80 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3hqo h ILE 251 CO 0.05 0.37 0.19 0.40 0.00 0.00 0.00 178.15 179.16 3hqo h ILE 252 N 0.14 0.87 -0.86 -0.67 2.04 -0.86 1.00 117.51 119.16 3hqo h ILE 252 Ca 0.04 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 65.91 3hqo h ILE 252 Cb 0.63 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 3hqo h ILE 252 CO 0.04 0.07 0.46 -0.08 0.00 0.00 0.00 178.15 178.63 3hqo h GLU 253 N 0.38 0.64 0.08 2.37 4.57 -1.45 -2.43 114.58 118.75 3hqo h GLU 253 Ca 0.23 -0.04 -0.29 0.00 -1.18 0.00 0.00 59.36 58.08 3hqo h GLU 253 Cb 0.21 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3hqo h GLU 253 CO -0.21 0.42 -1.44 0.93 -1.18 0.00 0.00 179.01 177.53 3hqo h GLU 254 N 0.66 0.18 -7.48 1.92 4.39 -1.30 -3.48 114.58 109.47 3hqo h GLU 254 Ca 0.46 -0.31 -0.49 0.00 0.34 0.00 0.00 59.36 59.37 3hqo h GLU 254 Cb 0.63 0.11 0.08 0.00 -0.10 0.00 0.00 28.75 29.48 3hqo h GLU 254 CO -0.35 1.03 0.40 -1.54 -1.16 0.00 0.00 179.01 177.39 3hqo s SER 255 N -6.84 5.24 0.02 1.42 1.04 0.31 -4.99 113.70 109.90 3hqo s SER 255 Ca -0.06 1.01 0.23 0.00 0.48 0.00 0.00 55.95 57.61 3hqo s SER 255 Cb 0.07 -1.75 -0.02 0.00 0.10 0.00 0.00 66.02 64.43 3hqo s SER 255 CO 0.85 -1.45 0.98 0.47 0.98 0.00 0.00 173.24 175.06 3hqo n ASP 256 N -3.05 0.64 -3.59 7.02 10.43 -0.75 -4.90 116.55 122.36 3hqo n ASP 256 Ca 0.07 -0.39 0.04 0.00 2.57 0.00 0.00 54.79 57.08 3hqo n ASP 256 Cb 0.58 0.91 0.00 0.00 1.84 0.00 0.00 41.12 44.45 3hqo n ASP 256 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3hqo s GLY 257 N -3.51 -0.48 0.03 0.44 0.00 -1.23 -4.18 107.32 98.39 3hqo s GLY 257 Ca 0.04 0.90 0.09 0.00 0.00 0.00 0.00 44.72 45.75 3hqo s GLY 257 CO 0.82 0.66 -0.26 -0.42 0.00 0.00 0.00 173.10 173.91 3hqo s ILE 258 N -2.04 2.07 -0.12 0.90 -1.09 -0.81 -1.23 121.20 118.89 3hqo s ILE 258 Ca 0.16 -1.32 0.01 0.00 -2.23 0.00 0.00 60.65 57.28 3hqo s ILE 258 Cb 0.07 -1.76 -0.01 0.00 -1.58 0.00 0.00 42.46 39.18 3hqo s ILE 258 CO -0.06 0.39 -0.17 -0.32 -1.23 0.00 0.00 174.94 173.54 3hqo s MET 259 N -1.11 3.24 -1.11 2.79 -2.45 0.12 -0.49 119.30 120.28 3hqo s MET 259 Ca 0.11 -0.77 -0.19 0.00 -1.25 0.00 0.00 55.69 53.60 3hqo s MET 259 Cb -0.10 -2.51 0.10 0.00 1.25 0.00 0.00 34.83 33.58 3hqo s MET 259 CO 0.01 0.18 1.43 0.08 1.05 0.00 0.00 175.02 177.78 3hqo s VAL 260 N 0.40 4.43 -0.94 10.11 1.01 0.28 -1.23 120.40 134.46 3hqo s VAL 260 Ca -0.13 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 59.93 3hqo s VAL 260 Cb -0.17 -4.99 0.03 0.00 0.00 0.00 0.00 36.38 31.25 3hqo s VAL 260 CO 0.06 -1.78 1.51 0.00 0.00 0.00 0.00 175.10 174.89 3hqo s ALA 261 N 3.44 2.54 0.15 5.51 0.00 -1.22 -3.28 121.76 128.90 3hqo s ALA 261 Ca 0.44 -1.93 0.16 0.00 0.00 0.00 0.00 51.96 50.63 3hqo s ALA 261 Cb -0.01 -4.48 0.52 0.00 0.00 0.00 0.00 23.12 19.15 3hqo s ALA 261 CO -0.03 -3.75 1.66 0.00 0.00 0.00 0.00 175.76 173.63 3hqo h ARG 262 N 10.27 0.00 -0.06 0.00 3.08 -1.86 -2.98 114.38 122.84 3hqo h ARG 262 Ca 0.08 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3hqo h ARG 262 Cb 1.02 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 3hqo h ARG 262 CO 1.36 0.46 -0.47 0.78 -1.07 0.00 0.00 179.97 181.03 3hqo h GLY 263 N 2.22 -1.16 1.79 0.04 0.00 -1.87 0.34 103.07 104.43 3hqo h GLY 263 Ca -0.00 0.67 -0.17 0.00 0.00 0.00 0.00 47.33 47.83 3hqo h GLY 263 CO 0.06 -0.26 -0.74 -0.55 0.00 0.00 0.00 176.54 175.05 3hqo h ASP 264 N -0.55 0.24 -0.40 0.19 3.32 -1.85 -3.21 116.42 114.16 3hqo h ASP 264 Ca 0.02 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3hqo h ASP 264 Cb 0.61 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3hqo h ASP 264 CO -0.34 0.89 0.17 0.25 -1.72 0.00 0.00 179.24 178.49 3hqo h LEU 265 N 0.13 0.53 0.00 1.55 6.46 -1.32 -1.79 115.31 120.87 3hqo h LEU 265 Ca -0.02 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 3hqo h LEU 265 Cb 1.30 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3hqo h LEU 265 CO 0.11 0.54 0.00 0.61 -0.62 0.00 0.00 178.44 179.08 3hqo n GLY 266 N -0.82 -0.43 0.27 3.75 0.00 0.12 -0.57 105.19 107.51 3hqo n GLY 266 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3hqo n GLY 266 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hqo n VAL 267 N -1.30 1.08 0.18 1.61 0.31 -0.98 -4.23 118.33 114.99 3hqo n VAL 267 Ca 0.02 -0.33 0.03 0.00 -0.01 0.00 0.00 64.34 64.05 3hqo n VAL 267 Cb 0.03 -1.53 0.38 0.00 -0.91 0.00 0.00 33.84 31.82 3hqo n VAL 267 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hqo h GLU 268 N -0.43 0.04 -6.15 5.55 4.39 -0.45 -3.43 114.58 114.10 3hqo h GLU 268 Ca -0.47 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 58.64 3hqo h GLU 268 Cb 1.52 -0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 30.01 3hqo h GLU 268 CO -0.21 0.35 -0.78 0.96 -1.16 0.00 0.00 179.01 178.17 3hqo s ILE 269 N -4.34 2.20 -0.06 3.13 -4.36 0.26 -4.67 121.20 113.36 3hqo s ILE 269 Ca -0.03 -2.19 -0.33 0.00 -0.26 0.00 0.00 60.65 57.84 3hqo s ILE 269 Cb 0.15 -2.13 -0.11 0.00 1.25 0.00 0.00 42.46 41.62 3hqo s ILE 269 CO 0.72 -0.35 1.94 -2.65 0.24 0.00 0.00 174.94 174.84 3hqo n PRO 270 N -0.19 2.36 -0.39 0.37 -0.02 -1.26 -4.53 135.00 131.33 3hqo n PRO 270 Ca -0.09 0.86 0.32 0.00 -2.02 0.00 0.00 63.50 62.57 3hqo n PRO 270 Cb 0.59 -2.78 0.62 0.00 -0.02 0.00 0.00 33.50 31.90 3hqo n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqo h ALA 271 N 9.98 2.64 0.00 3.55 0.00 -1.91 0.63 119.26 134.16 3hqo h ALA 271 Ca -0.48 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3hqo h ALA 271 Cb 1.26 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3hqo h ALA 271 CO 0.95 -1.15 -0.22 1.05 0.00 0.00 0.00 179.25 179.88 3hqo h GLU 272 N 0.19 0.00 0.00 0.00 9.09 -1.94 -2.62 114.58 119.29 3hqo h GLU 272 Ca 0.71 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.12 3hqo h GLU 272 Cb 2.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.28 3hqo h GLU 272 CO -0.30 0.22 0.00 0.87 0.05 0.00 0.00 179.01 179.85 3hqo h LYS 273 N 0.00 0.00 -0.86 1.06 1.57 -0.06 -3.10 116.57 115.18 3hqo h LYS 273 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 3hqo h LYS 273 Cb 0.39 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.61 3hqo h LYS 273 CO 0.03 0.00 0.44 0.28 -0.57 0.00 0.00 179.45 179.63 3hqo h VAL 274 N 0.00 0.70 -0.80 0.50 2.07 -1.49 -0.34 116.25 116.90 3hqo h VAL 274 Ca 0.00 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3hqo h VAL 274 Cb 0.78 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3hqo h VAL 274 CO 0.00 0.11 0.49 0.58 0.02 0.00 0.00 177.57 178.77 3hqo h VAL 275 N 0.61 1.05 -0.17 2.57 2.07 -1.70 0.65 116.25 121.32 3hqo h VAL 275 Ca 0.48 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3hqo h VAL 275 Cb 0.70 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3hqo h VAL 275 CO -0.38 0.17 -0.11 0.58 0.02 0.00 0.00 177.57 177.85 3hqo h VAL 276 N 0.92 1.32 -0.25 2.57 2.07 -1.33 -2.93 116.25 118.62 3hqo h VAL 276 Ca 0.34 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.72 3hqo h VAL 276 Cb 0.13 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3hqo h VAL 276 CO -0.16 0.36 -0.10 0.00 0.02 0.00 0.00 177.57 177.69 3hqo h ALA 277 N 0.66 0.11 -0.33 1.67 0.00 -0.62 -1.85 119.26 118.91 3hqo h ALA 277 Ca 0.03 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hqo h ALA 277 Cb 0.61 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3hqo h ALA 277 CO 0.03 -0.51 -0.53 0.37 0.00 0.00 0.00 179.25 178.62 3hqo h GLN 278 N -0.06 -0.40 -0.58 0.00 4.15 -0.84 -0.08 115.11 117.30 3hqo h GLN 278 Ca 0.13 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.69 3hqo h GLN 278 Cb 0.25 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 27.92 3hqo h GLN 278 CO -0.29 -0.27 -0.22 0.87 -1.93 0.00 0.00 178.83 176.99 3hqo h LYS 279 N -0.42 -0.07 0.36 1.69 1.57 -1.29 -1.91 116.57 116.50 3hqo h LYS 279 Ca 0.06 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3hqo h LYS 279 Cb 0.58 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3hqo h LYS 279 CO -0.53 -0.05 -0.17 0.82 -0.57 0.00 0.00 179.45 178.95 3hqo h ILE 280 N -0.08 0.65 0.30 1.86 2.04 -0.36 -1.20 117.51 120.72 3hqo h ILE 280 Ca 0.27 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 3hqo h ILE 280 Cb 0.49 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3hqo h ILE 280 CO -0.63 0.01 -0.27 -0.07 0.00 0.00 0.00 178.15 177.19 3hqo h LEU 281 N -0.51 -0.73 -0.54 1.44 3.38 -0.87 -1.17 115.31 116.30 3hqo h LEU 281 Ca -0.05 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hqo h LEU 281 Cb 0.39 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3hqo h LEU 281 CO 0.08 -0.37 -0.41 0.40 0.09 0.00 0.00 178.44 178.23 3hqo h ILE 282 N -0.56 0.00 -0.97 1.22 2.04 -1.34 0.44 117.51 118.33 3hqo h ILE 282 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 3hqo h ILE 282 Cb 0.48 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.48 3hqo h ILE 282 CO -0.02 0.00 0.61 0.28 0.00 0.00 0.00 178.15 179.02 3hqo h SER 283 N -0.12 0.91 -0.25 1.72 0.02 -1.23 0.11 113.55 114.71 3hqo h SER 283 Ca 0.09 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3hqo h SER 283 Cb 0.35 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3hqo h SER 283 CO -0.57 0.51 0.03 0.11 -1.14 0.00 0.00 176.83 175.77 3hqo h LYS 284 N 1.00 0.52 -0.16 3.45 1.57 0.25 -1.41 116.57 121.80 3hqo h LYS 284 Ca 0.47 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 3hqo h LYS 284 Cb 0.39 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3hqo h LYS 284 CO -0.24 0.53 -0.19 0.00 -0.57 0.00 0.00 179.45 178.98 3hqo h ASN 286 N 0.05 0.76 -0.16 0.00 -0.26 -0.31 0.42 115.58 116.08 3hqo h ASN 286 Ca 0.02 0.08 -0.17 0.00 -0.56 0.00 0.00 56.30 55.67 3hqo h ASN 286 Cb 0.73 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.93 3hqo h ASN 286 CO 0.04 0.31 -0.52 0.58 -1.06 0.00 0.00 177.43 176.78 3hqo h VAL 287 N 0.76 1.29 0.06 2.81 2.07 -1.27 -3.21 116.25 118.76 3hqo h VAL 287 Ca 0.54 -1.73 -0.24 0.00 0.82 0.00 0.00 66.70 66.09 3hqo h VAL 287 Cb 0.85 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3hqo h VAL 287 CO -0.32 0.55 -1.06 0.00 0.02 0.00 0.00 177.57 176.77 3hqo h ALA 288 N 0.83 0.29 0.00 1.67 0.00 -1.03 -3.48 119.26 117.55 3hqo h ALA 288 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3hqo h ALA 288 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hqo h ALA 288 CO 0.11 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3hqo n GLY 289 N 1.23 0.91 3.65 0.00 0.00 0.14 -5.07 105.19 106.04 3hqo n GLY 289 Ca -0.06 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3hqo n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqo s LYS 290 N -0.65 4.07 0.49 1.61 1.02 -1.07 -4.84 119.74 120.36 3hqo s LYS 290 Ca 0.00 -0.14 -0.23 0.00 0.02 0.00 0.00 55.97 55.62 3hqo s LYS 290 Cb 0.00 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.66 3hqo s LYS 290 CO 0.00 -0.03 1.13 -0.35 -0.92 0.00 0.00 175.35 175.18 3hqo n PRO 291 N 4.54 1.45 -5.11 -1.68 -0.04 -1.26 -4.49 135.00 128.41 3hqo n PRO 291 Ca -0.13 0.53 -0.29 0.00 -0.04 0.00 0.00 63.50 63.57 3hqo n PRO 291 Cb 0.52 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.56 3hqo n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hqo s VAL 292 N -1.32 1.80 -0.15 0.52 0.11 -1.26 -1.92 120.40 118.19 3hqo s VAL 292 Ca 0.67 -0.95 -0.01 0.00 -2.93 0.00 0.00 61.98 58.77 3hqo s VAL 292 Cb -0.48 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 32.84 3hqo s VAL 292 CO 0.53 0.51 -0.13 -0.63 -3.33 0.00 0.00 175.10 172.06 3hqo s ILE 293 N -0.27 2.95 -0.08 7.04 1.01 0.35 -1.81 121.20 130.39 3hqo s ILE 293 Ca 0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 3hqo s ILE 293 Cb -0.11 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3hqo s ILE 293 CO 0.01 0.51 0.28 0.00 0.00 0.00 0.00 174.94 175.74 3hqo s ALA 295 N -0.69 -0.94 0.00 0.00 0.00 -1.21 -1.40 121.76 117.53 3hqo s ALA 295 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3hqo s ALA 295 Cb -0.14 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3hqo s ALA 295 CO 0.07 -0.73 0.00 2.41 0.00 0.00 0.00 175.76 177.51 3hqo n THR 296 N -0.29 -1.32 -1.67 0.00 -1.04 -1.25 -3.52 114.28 105.19 3hqo n THR 296 Ca -0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.69 3hqo n THR 296 Cb 0.63 -1.32 -0.07 0.00 -1.82 0.00 0.00 70.33 67.75 3hqo n THR 296 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hqo n GLN 297 N 0.76 -1.47 0.07 -2.82 6.02 -1.26 -4.81 117.38 113.87 3hqo n GLN 297 Ca 0.00 1.10 -0.04 0.00 -0.01 0.00 0.00 57.00 58.04 3hqo n GLN 297 Cb 0.00 -5.49 0.16 0.00 1.02 0.00 0.00 30.24 25.93 3hqo n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqo h MET 298 N 0.00 0.29 -0.27 -1.09 2.86 -1.87 -3.30 114.93 111.55 3hqo h MET 298 Ca -0.40 -0.16 -0.23 0.00 -2.06 0.00 0.00 59.70 56.85 3hqo h MET 298 Cb 1.25 0.01 -0.34 0.00 0.06 0.00 0.00 31.60 32.58 3hqo h MET 298 CO 0.57 0.72 -0.95 1.28 1.06 0.00 0.00 176.91 179.58 3hqo n LEU 299 N -3.96 2.08 -0.32 1.22 4.77 -1.26 -4.61 117.00 114.91 3hqo n LEU 299 Ca -0.02 -3.08 0.01 0.00 -0.03 0.00 0.00 56.01 52.89 3hqo n LEU 299 Cb 0.54 0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 3hqo n LEU 299 CO 0.43 1.08 0.64 -0.08 -1.33 0.00 0.00 177.39 178.14 3hqo h GLU 300 N 1.76 -0.03 0.00 3.23 4.57 -1.96 0.12 114.58 122.27 3hqo h GLU 300 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3hqo h GLU 300 Cb 1.48 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 3hqo h GLU 300 CO 0.22 -0.02 0.00 -1.13 -1.18 0.00 0.00 179.01 176.90 3hqo n SER 301 N -5.52 0.00 -0.67 1.04 3.41 -1.26 -1.43 113.62 109.19 3hqo n SER 301 Ca 0.11 0.48 0.04 0.00 -0.26 0.00 0.00 58.87 59.24 3hqo n SER 301 Cb 0.42 -0.48 0.13 0.00 -0.26 0.00 0.00 64.21 64.02 3hqo n SER 301 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hqo n MET 302 N -1.48 1.89 0.14 4.33 2.81 0.03 -0.92 117.12 123.92 3hqo n MET 302 Ca 0.01 -1.05 0.12 0.00 -1.81 0.00 0.00 57.70 54.96 3hqo n MET 302 Cb 0.02 -1.39 0.20 0.00 -0.71 0.00 0.00 33.22 31.35 3hqo n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hqo h THR 303 N 1.59 0.00 0.00 2.03 2.02 -1.43 -3.37 112.91 113.75 3hqo h THR 303 Ca 0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3hqo h THR 303 Cb 0.58 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3hqo h THR 303 CO 0.06 0.00 -0.69 -1.22 0.37 0.00 0.00 175.52 174.03 3hqo n TYR 304 N -2.63 -0.05 -3.43 3.16 4.02 -1.02 -2.76 117.16 114.47 3hqo n TYR 304 Ca 0.04 0.01 -0.23 0.00 -0.01 0.00 0.00 57.90 57.70 3hqo n TYR 304 Cb 0.49 0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 39.84 3hqo n TYR 304 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3hqo s ASN 305 N -5.24 6.21 0.00 7.72 -0.87 -0.10 -4.92 114.94 117.75 3hqo s ASN 305 Ca 0.00 0.33 0.24 0.00 -1.57 0.00 0.00 52.86 51.86 3hqo s ASN 305 Cb 0.00 -1.89 0.97 0.00 -0.02 0.00 0.00 41.25 40.31 3hqo s ASN 305 CO 0.00 -0.32 1.68 -0.81 -2.57 0.00 0.00 177.10 175.08 3hqo n PRO 306 N -1.76 1.59 -3.77 -0.60 -0.04 -1.26 -4.24 135.00 124.92 3hqo n PRO 306 Ca -0.04 -0.87 -0.16 0.00 -0.04 0.00 0.00 63.50 62.38 3hqo n PRO 306 Cb 0.57 -1.42 -0.16 0.00 -0.04 0.00 0.00 33.50 32.44 3hqo n PRO 306 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hqo s ARG 307 N -1.90 -0.01 0.75 0.54 0.52 -1.26 -4.94 118.95 112.66 3hqo s ARG 307 Ca 0.35 0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.65 3hqo s ARG 307 Cb 0.19 -0.31 0.04 0.00 0.52 0.00 0.00 34.95 35.39 3hqo s ARG 307 CO 0.29 -0.19 1.08 -1.25 0.02 0.00 0.00 175.30 175.25 3hqo s PRO 308 N 1.22 2.47 0.78 3.54 0.04 -1.26 -4.80 135.00 136.99 3hqo s PRO 308 Ca -0.07 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 3hqo s PRO 308 Cb -0.13 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.54 3hqo s PRO 308 CO -0.03 -1.44 1.12 0.95 0.04 0.00 0.00 177.00 177.63 3hqo s THR 309 N -2.99 2.92 0.20 1.26 -4.23 -1.26 -4.87 115.64 106.68 3hqo s THR 309 Ca 0.60 0.30 0.30 0.00 -1.18 0.00 0.00 61.69 61.71 3hqo s THR 309 Cb -0.16 -3.18 0.33 0.00 1.34 0.00 0.00 72.50 70.83 3hqo s THR 309 CO 0.55 -0.39 1.98 0.03 -0.54 0.00 0.00 174.62 176.25 3hqo h ARG 310 N -0.97 0.00 0.00 3.99 2.47 -1.99 -1.30 114.38 116.58 3hqo h ARG 310 Ca -0.46 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3hqo h ARG 310 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3hqo h ARG 310 CO 0.62 0.09 -0.00 0.00 0.56 0.00 0.00 179.97 181.24 3hqo h ALA 311 N 1.91 -0.01 -0.45 0.04 0.00 -1.99 -2.76 119.26 116.00 3hqo h ALA 311 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hqo h ALA 311 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hqo h ALA 311 CO 0.01 -0.25 0.25 0.93 0.00 0.00 0.00 179.25 180.19 3hqo h GLU 312 N -0.50 0.63 0.30 0.00 5.08 -1.60 0.30 114.58 118.79 3hqo h GLU 312 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hqo h GLU 312 Cb 0.50 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hqo h GLU 312 CO 0.00 0.49 -0.47 0.28 -1.00 0.00 0.00 179.01 178.31 3hqo h VAL 313 N 0.60 0.08 -0.97 3.13 2.07 -1.40 -2.65 116.25 117.11 3hqo h VAL 313 Ca 0.16 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.85 3hqo h VAL 313 Cb 0.04 0.08 -0.17 0.00 -1.52 0.00 0.00 31.29 29.72 3hqo h VAL 313 CO -0.03 0.00 -0.33 -1.28 0.02 0.00 0.00 177.57 175.95 3hqo h SER 314 N -0.83 -1.22 0.15 0.57 0.87 -1.02 -1.19 113.55 110.87 3hqo h SER 314 Ca -0.02 0.30 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 3hqo h SER 314 Cb 0.78 0.69 -0.04 0.00 -0.44 0.00 0.00 62.40 63.38 3hqo h SER 314 CO -0.16 -0.30 -0.40 -0.78 -0.53 0.00 0.00 176.83 174.65 3hqo h ASP 315 N -0.01 -1.18 -0.19 6.23 3.58 -0.75 0.23 116.42 124.33 3hqo h ASP 315 Ca 0.39 0.13 0.05 0.00 0.42 0.00 0.00 57.03 58.02 3hqo h ASP 315 Cb 0.64 0.44 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 3hqo h ASP 315 CO -0.98 -0.48 -0.20 0.58 -2.88 0.00 0.00 179.24 175.27 3hqo h VAL 316 N -0.65 0.47 0.76 2.25 2.07 -0.89 0.11 116.25 120.37 3hqo h VAL 316 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3hqo h VAL 316 Cb 0.67 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3hqo h VAL 316 CO -0.22 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.01 3hqo h ALA 317 N 0.83 -1.02 -0.86 1.67 0.00 -1.19 -2.52 119.26 116.16 3hqo h ALA 317 Ca 0.12 -0.23 0.20 0.00 0.00 0.00 0.00 54.91 55.00 3hqo h ALA 317 Cb 0.41 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 3hqo h ALA 317 CO -0.33 -1.04 0.58 -0.91 0.00 0.00 0.00 179.25 177.56 3hqo h ASN 318 N -1.09 0.31 -0.39 0.00 2.35 -0.36 0.14 115.58 116.54 3hqo h ASN 318 Ca -0.10 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3hqo h ASN 318 Cb 0.80 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 3hqo h ASN 318 CO 0.17 0.13 0.23 0.00 -1.65 0.00 0.00 177.43 176.31 3hqo h ALA 319 N 1.61 0.50 -0.58 -0.83 0.00 -0.59 -0.19 119.26 119.18 3hqo h ALA 319 Ca 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3hqo h ALA 319 Cb 1.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3hqo h ALA 319 CO -0.13 0.01 0.22 0.28 0.00 0.00 0.00 179.25 179.63 3hqo h VAL 320 N 0.52 1.21 -0.69 0.00 2.07 -0.34 -2.28 116.25 116.74 3hqo h VAL 320 Ca 0.14 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3hqo h VAL 320 Cb 0.02 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3hqo h VAL 320 CO -0.03 0.27 0.14 -0.26 0.02 0.00 0.00 177.57 177.71 3hqo h PHE 321 N 0.84 1.17 0.00 1.57 0.04 -0.91 -2.59 116.94 117.06 3hqo h PHE 321 Ca 0.20 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3hqo h PHE 321 Cb 0.18 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 3hqo h PHE 321 CO 0.01 0.97 -0.00 -0.91 -0.60 0.00 0.00 178.31 177.78 3hqo h ASN 322 N 1.05 0.00 0.00 2.17 -0.26 -0.45 -3.46 115.58 114.63 3hqo h ASN 322 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 3hqo h ASN 322 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 3hqo h ASN 322 CO 0.01 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.99 3hqo n GLY 323 N -1.02 1.16 3.66 2.83 0.00 -0.98 -4.54 105.19 106.30 3hqo n GLY 323 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 3hqo n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqo n ALA 324 N -0.97 0.93 0.05 4.61 0.00 -1.10 -4.91 120.51 119.13 3hqo n ALA 324 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 3hqo n ALA 324 Cb 0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.07 3hqo n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hqo h ASP 325 N 4.20 0.68 -4.04 0.00 5.19 -1.74 -3.45 116.42 117.26 3hqo h ASP 325 Ca -0.45 -0.84 -0.49 0.00 -0.62 0.00 0.00 57.03 54.64 3hqo h ASP 325 Cb 1.28 -0.21 -0.30 0.00 0.18 0.00 0.00 39.33 40.28 3hqo h ASP 325 CO 0.76 1.45 -0.81 0.00 -3.12 0.00 0.00 179.24 177.51 3hqo s VAL 327 N -0.12 3.55 -0.05 0.00 -7.23 -0.83 -0.66 120.40 115.06 3hqo s VAL 327 Ca 0.01 -0.52 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 3hqo s VAL 327 Cb -0.08 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3hqo s VAL 327 CO 0.00 0.58 -0.17 -0.32 -0.31 0.00 0.00 175.10 174.88 3hqo s MET 328 N -0.53 1.90 -0.21 4.82 0.00 -0.49 -1.67 119.30 123.11 3hqo s MET 328 Ca 0.08 -0.60 -0.13 0.00 0.00 0.00 0.00 55.69 55.04 3hqo s MET 328 Cb -0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 34.83 33.06 3hqo s MET 328 CO 0.02 0.20 0.25 -0.51 0.00 0.00 0.00 175.02 174.98 3hqo s LEU 329 N 0.18 4.15 0.00 4.11 1.43 0.93 -3.83 118.68 125.66 3hqo s LEU 329 Ca -0.07 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3hqo s LEU 329 Cb -0.13 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3hqo s LEU 329 CO 0.03 0.03 0.00 -1.20 0.23 0.00 0.00 176.35 175.44 3hqo n SER 330 N 4.19 0.00 0.30 2.29 7.64 -1.26 -1.91 113.62 124.87 3hqo n SER 330 Ca -0.12 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.93 3hqo n SER 330 Cb 0.52 0.00 0.94 0.00 -1.01 0.00 0.00 64.21 64.65 3hqo n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hqo h GLY 331 N 0.00 0.00 1.00 0.23 0.00 -1.96 -2.83 103.07 99.51 3hqo h GLY 331 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 3hqo h GLY 331 CO 0.00 0.00 0.38 0.83 0.00 0.00 0.00 176.54 177.75 3hqo h GLU 332 N 0.00 0.20 0.00 4.80 3.07 -1.90 -2.38 114.58 118.38 3hqo h GLU 332 Ca -0.00 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.69 3hqo h GLU 332 Cb 0.19 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 3hqo h GLU 332 CO 0.00 0.13 -1.60 0.25 -1.40 0.00 0.00 179.01 176.40 3hqo n THR 333 N -4.44 0.60 -0.16 1.13 -2.24 -1.18 -3.68 114.28 104.31 3hqo n THR 333 Ca 0.10 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 3hqo n THR 333 Cb 0.48 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 67.93 3hqo n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqo h ALA 334 N 0.28 0.63 0.00 6.98 0.00 -1.27 -3.35 119.26 122.54 3hqo h ALA 334 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hqo h ALA 334 Cb 1.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hqo h ALA 334 CO -0.00 0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.63 3hqo n LYS 335 N -4.78 1.03 -1.14 0.00 2.85 -0.92 -2.20 118.16 113.01 3hqo n LYS 335 Ca 0.03 -0.83 -0.31 0.00 -1.05 0.00 0.00 58.31 56.15 3hqo n LYS 335 Cb 0.05 -0.70 0.11 0.00 -0.65 0.00 0.00 35.03 33.84 3hqo n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqo s GLY 336 N -0.36 1.75 0.17 2.58 0.00 -1.08 -4.90 107.32 105.47 3hqo s GLY 336 Ca 0.00 0.42 0.14 0.00 0.00 0.00 0.00 44.72 45.28 3hqo s GLY 336 CO 0.00 0.79 1.17 0.50 0.00 0.00 0.00 173.10 175.56 3hqo h LYS 337 N -1.22 0.00 -2.97 2.90 1.57 -1.73 -3.41 116.57 111.71 3hqo h LYS 337 Ca -0.44 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.73 3hqo h LYS 337 Cb 1.25 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.14 3hqo h LYS 337 CO 0.48 0.50 -0.60 0.66 -0.57 0.00 0.00 179.45 179.92 3hqo n TYR 338 N -3.12 2.99 0.11 -1.35 4.01 -1.26 -4.92 117.16 113.62 3hqo n TYR 338 Ca -0.03 -4.23 0.03 0.00 -0.16 0.00 0.00 57.90 53.50 3hqo n TYR 338 Cb 0.81 -0.56 -0.00 0.00 -0.31 0.00 0.00 39.34 39.28 3hqo n TYR 338 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hqo h PRO 339 N 5.30 0.00 0.15 -0.72 0.13 -1.80 -2.37 132.00 132.71 3hqo h PRO 339 Ca 0.16 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.99 3hqo h PRO 339 Cb 0.76 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.89 3hqo h PRO 339 CO 0.70 0.40 -1.50 -0.91 -0.23 0.00 0.00 178.00 176.46 3hqo h ASN 340 N 0.00 0.51 -0.18 1.44 2.35 -1.92 -3.29 115.58 114.49 3hqo h ASN 340 Ca -0.05 -0.90 -0.06 0.00 -0.55 0.00 0.00 56.30 54.75 3hqo h ASN 340 Cb 1.41 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 3hqo h ASN 340 CO 0.05 1.68 -0.06 -0.33 -1.65 0.00 0.00 177.43 177.12 3hqo h GLU 341 N -0.12 0.50 -0.12 0.81 3.07 -1.97 -1.86 114.58 114.89 3hqo h GLU 341 Ca -0.31 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 58.33 3hqo h GLU 341 Cb 1.91 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.74 3hqo h GLU 341 CO 0.13 0.57 -0.39 -0.24 -1.40 0.00 0.00 179.01 177.68 3hqo h VAL 342 N 0.47 1.30 0.01 3.13 3.04 -1.56 -2.37 116.25 120.27 3hqo h VAL 342 Ca 0.10 -1.47 -0.17 0.00 -1.01 0.00 0.00 66.70 64.14 3hqo h VAL 342 Cb 0.40 1.64 0.01 0.00 -2.01 0.00 0.00 31.29 31.33 3hqo h VAL 342 CO 0.02 0.44 -0.69 0.58 -1.01 0.00 0.00 177.57 176.91 3hqo h VAL 343 N 0.22 1.41 -0.13 1.51 2.07 -1.54 -2.99 116.25 116.81 3hqo h VAL 343 Ca 0.02 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.44 3hqo h VAL 343 Cb 0.79 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 3hqo h VAL 343 CO 0.06 0.63 -0.05 1.56 0.02 0.00 0.00 177.57 179.79 3hqo h GLN 344 N -0.04 -0.03 -0.84 1.57 4.20 -1.34 -0.34 115.11 118.29 3hqo h GLN 344 Ca -0.09 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.68 3hqo h GLN 344 Cb 1.40 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.13 3hqo h GLN 344 CO 0.13 -0.02 0.55 1.88 -0.67 0.00 0.00 178.83 180.70 3hqo h TYR 345 N -0.03 0.95 -0.20 2.96 0.05 -1.52 -0.24 116.97 118.94 3hqo h TYR 345 Ca 0.07 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 3hqo h TYR 345 Cb 0.13 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.56 3hqo h TYR 345 CO -0.18 0.51 -0.19 1.98 -1.05 0.00 0.00 178.16 179.23 3hqo h MET 346 N 0.95 0.48 -0.95 4.88 4.05 -1.28 0.05 114.93 123.11 3hqo h MET 346 Ca 0.36 -0.25 0.05 0.00 -0.28 0.00 0.00 59.70 59.58 3hqo h MET 346 Cb 0.19 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 3hqo h MET 346 CO -0.13 0.82 0.62 0.00 0.23 0.00 0.00 176.91 178.45 3hqo h ALA 347 N 0.65 1.43 -0.20 0.39 0.00 -0.66 0.25 119.26 121.13 3hqo h ALA 347 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hqo h ALA 347 Cb 0.73 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hqo h ALA 347 CO 0.05 0.45 -0.35 -0.09 0.00 0.00 0.00 179.25 179.31 3hqo h ARG 348 N 1.14 0.58 -0.44 0.00 2.43 -0.93 -1.51 114.38 115.64 3hqo h ARG 348 Ca 0.39 -0.37 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3hqo h ARG 348 Cb 0.10 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3hqo h ARG 348 CO -0.14 0.98 0.07 0.82 -1.51 0.00 0.00 179.97 180.19 3hqo h ILE 349 N 0.25 1.21 -0.10 1.20 2.04 -0.74 -2.24 117.51 119.13 3hqo h ILE 349 Ca 0.01 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3hqo h ILE 349 Cb 0.94 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3hqo h ILE 349 CO 0.08 0.28 0.04 0.00 0.00 0.00 0.00 178.15 178.55 3hqo h LEU 351 N 0.01 -0.34 -0.41 0.00 3.38 -1.11 -0.80 115.31 116.05 3hqo h LEU 351 Ca 0.03 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3hqo h LEU 351 Cb 0.16 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hqo h LEU 351 CO -0.00 -0.13 0.26 -0.08 0.09 0.00 0.00 178.44 178.58 3hqo h GLU 352 N -0.06 0.52 -0.46 1.13 4.57 -1.31 0.18 114.58 119.15 3hqo h GLU 352 Ca 0.12 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3hqo h GLU 352 Cb 0.25 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3hqo h GLU 352 CO -0.28 0.34 0.22 0.00 -1.18 0.00 0.00 179.01 178.11 3hqo h ALA 353 N 1.16 0.59 -0.25 2.92 0.00 -1.19 -2.14 119.26 120.36 3hqo h ALA 353 Ca 0.15 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3hqo h ALA 353 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hqo h ALA 353 CO -0.04 0.16 -0.22 0.37 0.00 0.00 0.00 179.25 179.52 3hqo h GLN 354 N 0.60 0.47 -0.10 0.00 4.15 -0.48 -2.83 115.11 116.92 3hqo h GLN 354 Ca 0.16 -0.16 -0.21 0.00 0.77 0.00 0.00 58.65 59.20 3hqo h GLN 354 Cb 0.13 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3hqo h GLN 354 CO -0.02 0.66 -0.79 0.77 -1.93 0.00 0.00 178.83 177.52 3hqo h SER 355 N 0.42 0.74 -0.25 -0.69 0.02 -0.55 -3.15 113.55 110.10 3hqo h SER 355 Ca 0.07 -0.50 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 3hqo h SER 355 Cb 0.62 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3hqo h SER 355 CO 0.04 1.28 0.09 0.00 -1.14 0.00 0.00 176.83 177.10 3hqo n ALA 356 N -2.57 3.19 -2.57 3.77 0.00 -0.81 -4.85 120.51 116.66 3hqo n ALA 356 Ca -0.06 -0.77 -0.29 0.00 0.00 0.00 0.00 53.44 52.32 3hqo n ALA 356 Cb 0.75 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 3hqo n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hqo s LEU 357 N -0.99 3.02 -0.57 0.00 2.96 -1.09 -5.02 118.68 116.99 3hqo s LEU 357 Ca 0.19 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 3hqo s LEU 357 Cb 0.15 -1.78 0.15 0.00 0.50 0.00 0.00 46.19 45.20 3hqo s LEU 357 CO 0.05 0.15 0.47 0.21 -1.32 0.00 0.00 176.35 175.91 3hqo s ASN 358 N -2.40 5.93 0.41 3.68 2.47 -1.26 -4.94 114.94 118.84 3hqo s ASN 358 Ca 0.22 -2.16 0.14 0.00 0.42 0.00 0.00 52.86 51.49 3hqo s ASN 358 Cb -0.10 -2.06 0.88 0.00 -1.45 0.00 0.00 41.25 38.51 3hqo s ASN 358 CO 0.14 -0.66 1.91 -0.33 -3.72 0.00 0.00 177.10 174.44 3hqo h GLU 359 N 8.22 0.00 -0.82 0.43 3.07 -1.92 -2.67 114.58 120.89 3hqo h GLU 359 Ca -0.14 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.83 3hqo h GLU 359 Cb 1.06 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.91 3hqo h GLU 359 CO 0.86 0.28 0.53 -0.92 -1.40 0.00 0.00 179.01 178.36 3hqo h TYR 360 N 0.00 0.78 -0.12 4.33 3.20 -1.92 -0.89 116.97 122.35 3hqo h TYR 360 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3hqo h TYR 360 Cb 0.51 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3hqo h TYR 360 CO 0.00 0.34 -0.00 0.28 -1.64 0.00 0.00 178.16 177.14 3hqo h VAL 361 N 0.71 1.25 -1.00 1.81 2.07 -1.87 -2.58 116.25 116.63 3hqo h VAL 361 Ca 0.39 -0.82 0.13 0.00 0.82 0.00 0.00 66.70 67.22 3hqo h VAL 361 Cb 0.54 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 3hqo h VAL 361 CO -0.16 0.24 0.63 0.15 0.02 0.00 0.00 177.57 178.45 3hqo h PHE 362 N -0.06 1.13 0.18 1.57 3.57 -1.34 0.13 116.94 122.11 3hqo h PHE 362 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3hqo h PHE 362 Cb 0.36 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3hqo h PHE 362 CO 0.03 0.41 -0.09 0.35 -2.23 0.00 0.00 178.31 176.78 3hqo h PHE 363 N 0.95 -0.23 -0.58 0.41 3.57 -1.06 -1.83 116.94 118.17 3hqo h PHE 363 Ca 0.51 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.96 3hqo h PHE 363 Cb 0.58 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3hqo h PHE 363 CO -0.00 -0.01 0.18 -0.91 -2.23 0.00 0.00 178.31 175.33 3hqo h ASN 364 N -0.41 0.84 -0.33 0.41 2.35 -1.04 -2.01 115.58 115.39 3hqo h ASN 364 Ca -0.02 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3hqo h ASN 364 Cb 0.32 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3hqo h ASN 364 CO 0.04 0.82 0.22 0.28 -1.65 0.00 0.00 177.43 177.14 3hqo h SER 365 N 0.81 0.38 -0.15 5.81 0.02 -0.95 -0.70 113.55 118.78 3hqo h SER 365 Ca 0.19 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3hqo h SER 365 Cb 0.28 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3hqo h SER 365 CO -0.01 0.29 0.04 0.40 -1.14 0.00 0.00 176.83 176.41 3hqo h ILE 366 N 0.44 1.20 -0.72 3.27 2.04 -1.30 -2.96 117.51 119.47 3hqo h ILE 366 Ca 0.12 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3hqo h ILE 366 Cb -0.04 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3hqo h ILE 366 CO -0.03 0.18 0.37 0.50 0.00 0.00 0.00 178.15 179.18 3hqo h LYS 367 N 0.04 0.62 -0.99 2.37 3.64 -1.20 -2.12 116.57 118.94 3hqo h LYS 367 Ca 0.05 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3hqo h LYS 367 Cb 0.25 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 3hqo h LYS 367 CO 0.00 0.41 0.63 0.87 -2.27 0.00 0.00 179.45 179.09 3hqo h LYS 368 N 0.63 1.02 -0.93 1.90 6.56 -1.00 -2.62 116.57 122.13 3hqo h LYS 368 Ca 0.35 -0.06 -0.14 0.00 -1.06 0.00 0.00 60.65 59.74 3hqo h LYS 368 Cb 0.35 -0.23 -0.09 0.00 -0.57 0.00 0.00 32.23 31.70 3hqo h LYS 368 CO -0.26 0.67 0.18 1.28 -2.06 0.00 0.00 179.45 179.27 3hqo n LEU 369 N -4.56 4.10 -4.71 2.94 4.77 -0.80 -4.85 117.00 113.89 3hqo n LEU 369 Ca 0.17 -2.12 -0.35 0.00 -0.03 0.00 0.00 56.01 53.68 3hqo n LEU 369 Cb 0.28 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 3hqo n LEU 369 CO 0.30 0.62 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.62 3hqo s GLN 370 N -1.61 3.35 -0.27 3.23 -1.52 -0.99 -5.05 119.66 116.80 3hqo s GLN 370 Ca 0.25 -0.33 -0.29 0.00 -1.95 0.00 0.00 55.36 53.05 3hqo s GLN 370 Cb 0.21 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.99 3hqo s GLN 370 CO 0.06 0.61 1.58 -1.58 -0.25 0.00 0.00 175.29 175.71 3hqo s HIS 371 N -0.59 2.16 -0.05 0.91 5.65 -1.26 -4.98 115.29 117.12 3hqo s HIS 371 Ca 0.11 0.61 -0.28 0.00 0.25 0.00 0.00 55.06 55.75 3hqo s HIS 371 Cb -0.12 -4.03 -0.03 0.00 -1.18 0.00 0.00 32.58 27.22 3hqo s HIS 371 CO 0.02 -2.68 0.92 0.42 -0.65 0.00 0.00 174.74 172.77 3hqo s ILE 372 N 5.38 4.89 -0.00 0.89 -1.09 -1.26 -2.95 121.20 127.05 3hqo s ILE 372 Ca 0.70 1.90 -0.24 0.00 -2.23 0.00 0.00 60.65 60.78 3hqo s ILE 372 Cb -0.22 -4.25 -0.05 0.00 -1.58 0.00 0.00 42.46 36.36 3hqo s ILE 372 CO 0.29 0.13 0.71 -2.16 -1.23 0.00 0.00 174.94 172.69 3hqo s PRO 373 N 1.29 4.44 0.94 2.79 0.05 -1.26 -5.18 135.00 138.07 3hqo s PRO 373 Ca 0.47 0.94 -0.12 0.00 0.05 0.00 0.00 61.00 62.34 3hqo s PRO 373 Cb -0.19 -3.39 0.15 0.00 0.05 0.00 0.00 34.50 31.12 3hqo s PRO 373 CO 0.22 0.23 1.09 -1.64 0.05 0.00 0.00 177.00 176.95 3hqo s MET 374 N 0.21 0.93 0.78 4.56 -1.94 -1.15 -5.03 119.30 117.65 3hqo s MET 374 Ca 0.37 0.86 -0.11 0.00 -1.71 0.00 0.00 55.69 55.10 3hqo s MET 374 Cb -0.19 -1.77 0.06 0.00 2.01 0.00 0.00 34.83 34.94 3hqo s MET 374 CO 0.20 -2.48 1.08 -1.54 -0.01 0.00 0.00 175.02 172.28 3hqo s SER 375 N -3.26 4.56 0.14 3.03 1.04 -1.26 -4.88 113.70 113.07 3hqo s SER 375 Ca 0.64 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 58.38 3hqo s SER 375 Cb -0.19 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 3hqo s SER 375 CO 0.58 -1.96 1.57 0.00 0.98 0.00 0.00 173.24 174.41 3hqo h ALA 376 N -1.08 -0.60 0.00 5.32 0.00 -1.99 -2.56 119.26 118.35 3hqo h ALA 376 Ca -0.45 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3hqo h ALA 376 Cb 1.24 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 3hqo h ALA 376 CO 0.55 -0.94 -0.53 0.38 0.00 0.00 0.00 179.25 178.72 3hqo h ASP 377 N -0.45 0.00 -0.27 0.00 2.03 -1.93 -3.07 116.42 112.72 3hqo h ASP 377 Ca 0.09 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.21 3hqo h ASP 377 Cb 0.62 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.12 3hqo h ASP 377 CO -0.47 0.53 -0.51 -0.08 -1.03 0.00 0.00 179.24 177.68 3hqo h GLU 378 N 0.00 0.86 -0.60 4.15 4.81 -1.85 -2.76 114.58 119.19 3hqo h GLU 378 Ca -0.01 -0.52 0.02 0.00 -0.13 0.00 0.00 59.36 58.73 3hqo h GLU 378 Cb 1.14 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 3hqo h GLU 378 CO 0.07 1.15 0.37 0.00 -0.73 0.00 0.00 179.01 179.87 3hqo h ALA 379 N 0.75 0.77 -0.39 2.92 0.00 -1.46 -1.23 119.26 120.62 3hqo h ALA 379 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hqo h ALA 379 Cb 1.10 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3hqo h ALA 379 CO 0.11 0.12 0.01 0.28 0.00 0.00 0.00 179.25 179.77 3hqo h VAL 380 N 0.74 0.72 -0.09 0.00 2.07 -1.42 0.13 116.25 118.39 3hqo h VAL 380 Ca 0.24 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3hqo h VAL 380 Cb 0.00 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3hqo h VAL 380 CO -0.09 0.02 0.01 0.00 0.02 0.00 0.00 177.57 177.53 3hqo n SER 382 N -4.86 0.00 -0.34 0.00 2.88 -0.48 -1.06 113.62 109.76 3hqo n SER 382 Ca -0.06 0.90 0.12 0.00 -1.33 0.00 0.00 58.87 58.49 3hqo n SER 382 Cb 0.17 -0.40 0.32 0.00 -0.75 0.00 0.00 64.21 63.55 3hqo n SER 382 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hqo h SER 383 N 0.00 0.78 0.52 -3.46 0.02 -0.78 0.87 113.55 111.51 3hqo h SER 383 Ca 0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3hqo h SER 383 Cb 0.00 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3hqo h SER 383 CO 0.00 0.35 -0.12 0.00 -1.14 0.00 0.00 176.83 175.92 3hqo h ALA 384 N 1.60 1.17 0.15 3.77 0.00 -0.67 0.29 119.26 125.57 3hqo h ALA 384 Ca 0.53 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 55.02 3hqo h ALA 384 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hqo h ALA 384 CO -0.30 0.15 -1.49 0.28 0.00 0.00 0.00 179.25 177.89 3hqo h VAL 385 N 0.00 1.22 -0.64 0.00 2.07 0.78 -3.06 116.25 116.62 3hqo h VAL 385 Ca -0.00 -2.81 0.08 0.00 0.82 0.00 0.00 66.70 64.79 3hqo h VAL 385 Cb 0.41 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 3hqo h VAL 385 CO 0.02 0.84 0.42 -1.13 0.02 0.00 0.00 177.57 177.73 3hqo h ASN 386 N 0.08 0.49 -0.64 0.57 -0.00 -0.27 -1.43 115.58 114.39 3hqo h ASN 386 Ca -0.23 0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.04 3hqo h ASN 386 Cb 2.04 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 40.23 3hqo h ASN 386 CO 0.19 0.31 0.26 0.28 -0.00 0.00 0.00 177.43 178.47 3hqo h SER 387 N 0.55 0.87 -0.58 1.15 0.02 -0.48 -2.96 113.55 112.13 3hqo h SER 387 Ca 0.28 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3hqo h SER 387 Cb 0.39 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3hqo h SER 387 CO -0.09 0.80 0.36 0.58 -1.14 0.00 0.00 176.83 177.34 3hqo h VAL 388 N 0.89 1.17 -0.62 2.27 2.07 -1.17 -1.83 116.25 119.03 3hqo h VAL 388 Ca 0.21 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3hqo h VAL 388 Cb 0.20 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3hqo h VAL 388 CO -0.02 0.17 0.03 1.88 0.02 0.00 0.00 177.57 179.65 3hqo h TYR 389 N 0.78 1.16 0.00 1.57 0.05 -1.41 -0.79 116.97 118.33 3hqo h TYR 389 Ca 0.21 -0.18 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 3hqo h TYR 389 Cb -0.04 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.38 3hqo h TYR 389 CO -0.03 1.00 -0.50 0.93 -1.05 0.00 0.00 178.16 178.52 3hqo h GLU 390 N 0.99 0.00 -0.01 4.88 5.08 -1.38 -3.27 114.58 120.86 3hqo h GLU 390 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hqo h GLU 390 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hqo h GLU 390 CO 0.02 0.50 -0.43 -2.37 -1.00 0.00 0.00 179.01 175.73 3hqo n THR 391 N -3.48 0.00 -3.91 1.13 5.66 -0.70 -4.98 114.28 108.00 3hqo n THR 391 Ca 0.00 -0.28 -0.31 0.00 -3.05 0.00 0.00 64.05 60.41 3hqo n THR 391 Cb 0.62 1.23 0.01 0.00 -1.55 0.00 0.00 70.33 70.64 3hqo n THR 391 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3hqo n LYS 392 N -0.07 -4.47 -1.77 1.09 5.02 -0.34 -4.89 118.16 112.74 3hqo n LYS 392 Ca 0.08 0.52 -0.41 0.00 -2.02 0.00 0.00 58.31 56.47 3hqo n LYS 392 Cb 0.42 -5.34 -0.01 0.00 -0.02 0.00 0.00 35.03 30.08 3hqo n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqo s ALA 393 N -3.23 3.74 -2.06 7.82 0.00 -1.01 -4.80 121.76 122.22 3hqo s ALA 393 Ca 0.65 1.59 0.26 0.00 0.00 0.00 0.00 51.96 54.45 3hqo s ALA 393 Cb -0.34 -3.65 0.62 0.00 0.00 0.00 0.00 23.12 19.75 3hqo s ALA 393 CO 0.80 -1.01 1.48 1.63 0.00 0.00 0.00 175.76 178.67 3hqo n LYS 394 N 2.03 1.20 -3.52 0.00 5.02 -0.89 -4.69 118.16 117.32 3hqo n LYS 394 Ca 0.08 -0.80 -0.11 0.00 -2.02 0.00 0.00 58.31 55.46 3hqo n LYS 394 Cb 0.37 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 3hqo n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqo s ALA 395 N -2.36 -1.54 0.01 7.82 0.00 -1.24 -4.25 121.76 120.21 3hqo s ALA 395 Ca 0.26 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.61 3hqo s ALA 395 Cb 0.19 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 3hqo s ALA 395 CO 0.48 -0.82 -0.08 1.41 0.00 0.00 0.00 175.76 176.74 3hqo s MET 396 N -3.74 0.59 -0.14 0.00 1.75 -0.70 -2.62 119.30 114.44 3hqo s MET 396 Ca 0.03 -0.45 0.01 0.00 -1.25 0.00 0.00 55.69 54.03 3hqo s MET 396 Cb -0.02 -0.52 0.02 0.00 2.84 0.00 0.00 34.83 37.15 3hqo s MET 396 CO -0.09 0.13 -0.17 0.08 -0.65 0.00 0.00 175.02 174.32 3hqo s VAL 397 N -0.59 1.74 -0.03 10.11 1.01 0.10 0.26 120.40 133.02 3hqo s VAL 397 Ca -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3hqo s VAL 397 Cb -0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3hqo s VAL 397 CO 0.00 0.49 -0.21 0.54 0.00 0.00 0.00 175.10 175.92 3hqo s VAL 398 N 1.17 1.67 -0.47 2.92 0.11 -0.03 -0.90 120.40 124.87 3hqo s VAL 398 Ca -0.01 -0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 58.04 3hqo s VAL 398 Cb -0.14 -1.40 0.10 0.00 -1.53 0.00 0.00 36.38 33.41 3hqo s VAL 398 CO -0.07 0.47 0.37 -0.76 -3.33 0.00 0.00 175.10 171.78 3hqo s LEU 399 N -0.31 5.64 -0.08 2.54 1.43 -0.98 -0.45 118.68 126.47 3hqo s LEU 399 Ca 0.03 -1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 51.49 3hqo s LEU 399 Cb -0.10 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3hqo s LEU 399 CO 0.01 -0.68 -0.04 -0.55 0.23 0.00 0.00 176.35 175.32 3hqo s SER 400 N 2.71 1.62 -0.15 2.29 0.15 -1.15 -4.80 113.70 114.38 3hqo s SER 400 Ca 0.04 -0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 3hqo s SER 400 Cb -0.26 -0.57 -0.22 0.00 -1.71 0.00 0.00 66.02 63.26 3hqo s SER 400 CO 0.03 -0.13 0.59 0.78 1.20 0.00 0.00 173.24 175.70 3hqo h ASN 401 N 7.97 0.00 -0.30 5.45 2.35 -1.97 -3.37 115.58 125.72 3hqo h ASN 401 Ca -0.27 -0.81 -0.09 0.00 -0.55 0.00 0.00 56.30 54.58 3hqo h ASN 401 Cb 1.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3hqo h ASN 401 CO 0.36 1.03 -0.13 0.71 -1.65 0.00 0.00 177.43 177.75 3hqo h THR 402 N -1.00 1.26 0.00 2.81 1.35 -1.97 -3.43 112.91 111.93 3hqo h THR 402 Ca -0.06 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3hqo h THR 402 Cb 0.95 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3hqo h THR 402 CO -0.03 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 3hqo n GLY 403 N -0.45 2.14 0.33 5.82 0.00 -1.26 -4.88 105.19 106.90 3hqo n GLY 403 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hqo n GLY 403 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hqo h ARG 404 N 0.89 -0.43 -0.95 1.61 3.08 -1.92 -2.49 114.38 114.18 3hqo h ARG 404 Ca 0.00 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.15 3hqo h ARG 404 Cb 0.00 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 3hqo h ARG 404 CO 0.00 -0.29 0.62 0.77 -1.07 0.00 0.00 179.97 180.00 3hqo h SER 405 N -0.45 0.96 0.33 7.04 0.02 -1.95 0.73 113.55 120.24 3hqo h SER 405 Ca 0.07 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3hqo h SER 405 Cb 0.54 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3hqo h SER 405 CO -0.27 0.61 -0.16 0.00 -1.14 0.00 0.00 176.83 175.86 3hqo h ALA 406 N 1.49 -0.45 -0.09 3.77 0.00 -1.84 -1.72 119.26 120.42 3hqo h ALA 406 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hqo h ALA 406 Cb 0.21 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hqo h ALA 406 CO -0.16 -0.75 0.06 0.00 0.00 0.00 0.00 179.25 178.39 3hqo h ARG 407 N -0.45 0.12 -0.52 0.00 3.08 -0.97 -1.73 114.38 113.91 3hqo h ARG 407 Ca -0.05 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.15 3hqo h ARG 407 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3hqo h ARG 407 CO 0.07 0.09 0.43 1.25 -1.07 0.00 0.00 179.97 180.74 3hqo h LEU 408 N 0.11 0.00 0.08 3.04 5.85 -0.74 0.19 115.31 123.85 3hqo h LEU 408 Ca 0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hqo h LEU 408 Cb -0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hqo h LEU 408 CO -0.01 0.00 -0.04 0.58 -0.34 0.00 0.00 178.44 178.63 3hqo h VAL 409 N 0.00 0.89 -0.21 1.05 2.07 -0.80 -3.28 116.25 115.96 3hqo h VAL 409 Ca 0.25 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3hqo h VAL 409 Cb 1.09 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3hqo h VAL 409 CO -0.00 0.27 0.44 0.00 0.02 0.00 0.00 177.57 178.30 3hqo h ALA 410 N -0.40 1.76 -0.57 1.67 0.00 -0.25 0.34 119.26 121.82 3hqo h ALA 410 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hqo h ALA 410 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3hqo h ALA 410 CO 0.02 -0.55 0.38 -0.22 0.00 0.00 0.00 179.25 178.87 3hqo h LYS 411 N 0.00 0.52 -0.62 0.00 3.64 -0.74 -2.72 116.57 116.65 3hqo h LYS 411 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hqo h LYS 411 Cb 0.98 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3hqo h LYS 411 CO -0.00 0.35 0.00 0.66 -2.27 0.00 0.00 179.45 178.18 3hqo n TYR 412 N -4.47 0.92 -3.49 1.91 4.01 0.11 -4.99 117.16 111.15 3hqo n TYR 412 Ca 0.08 -0.43 -0.19 0.00 -0.16 0.00 0.00 57.90 57.20 3hqo n TYR 412 Cb 0.23 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.22 3hqo n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hqo n ARG 413 N 1.22 -1.61 -1.64 -0.72 5.12 -1.03 -4.32 116.66 113.68 3hqo n ARG 413 Ca 0.21 1.16 -0.30 0.00 -1.93 0.00 0.00 57.85 56.98 3hqo n ARG 413 Cb 0.57 -3.42 0.07 0.00 -1.16 0.00 0.00 32.46 28.52 3hqo n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hqo s PRO 414 N -3.89 2.42 -0.11 5.56 0.04 -1.26 -4.53 135.00 133.24 3hqo s PRO 414 Ca 0.08 0.65 0.12 0.00 0.04 0.00 0.00 61.00 61.88 3hqo s PRO 414 Cb -0.01 -1.96 0.53 0.00 0.04 0.00 0.00 34.50 33.11 3hqo s PRO 414 CO 0.85 -1.39 1.37 0.27 0.04 0.00 0.00 177.00 178.14 3hqo n ASN 415 N -3.28 3.80 -4.31 6.66 6.94 -1.26 -4.90 115.26 118.91 3hqo n ASN 415 Ca 0.07 -2.44 -0.16 0.00 -0.02 0.00 0.00 54.58 52.03 3hqo n ASN 415 Cb 0.56 -0.54 -0.10 0.00 -2.36 0.00 0.00 39.78 37.34 3hqo n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqo s PRO 417 N -3.86 4.20 -0.41 0.00 0.02 -1.26 -4.87 135.00 128.82 3hqo s PRO 417 Ca 0.27 2.16 -0.14 0.00 0.02 0.00 0.00 61.00 63.32 3hqo s PRO 417 Cb 0.05 -2.93 0.03 0.00 0.02 0.00 0.00 34.50 31.67 3hqo s PRO 417 CO 0.07 -0.30 0.28 0.42 -0.33 0.00 0.00 177.00 177.15 3hqo s ILE 418 N -1.20 4.99 -0.23 2.83 1.01 -0.93 -1.72 121.20 125.95 3hqo s ILE 418 Ca 0.52 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 3hqo s ILE 418 Cb -0.38 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3hqo s ILE 418 CO 0.50 -0.33 0.75 -0.69 0.00 0.00 0.00 174.94 175.18 3hqo s VAL 419 N 1.62 4.90 -0.26 2.92 1.01 0.14 -0.35 120.40 130.39 3hqo s VAL 419 Ca 0.04 1.41 -0.05 0.00 0.00 0.00 0.00 61.98 63.37 3hqo s VAL 419 Cb -0.20 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3hqo s VAL 419 CO 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 175.10 175.19 3hqo s VAL 421 N 1.48 5.14 0.03 0.00 1.01 0.41 -0.35 120.40 128.12 3hqo s VAL 421 Ca 0.03 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.20 3hqo s VAL 421 Cb -0.16 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3hqo s VAL 421 CO 0.00 -0.09 -0.11 0.28 0.00 0.00 0.00 175.10 175.18 3hqo s THR 422 N 2.08 0.86 -0.24 3.92 -1.32 -0.89 -2.94 115.64 117.11 3hqo s THR 422 Ca 0.13 -0.90 0.18 0.00 -1.21 0.00 0.00 61.69 59.90 3hqo s THR 422 Cb -0.16 -0.80 0.11 0.00 -1.51 0.00 0.00 72.50 70.14 3hqo s THR 422 CO 0.12 -0.07 1.39 0.71 -2.21 0.00 0.00 174.62 174.56 3hqo h THR 423 N 4.58 0.51 -3.63 5.08 1.35 -1.83 -0.39 112.91 118.58 3hqo h THR 423 Ca -0.36 -1.75 -0.62 0.00 -0.55 0.00 0.00 66.41 63.13 3hqo h THR 423 Cb 1.19 2.19 -0.14 0.00 -1.73 0.00 0.00 68.15 69.66 3hqo h THR 423 CO 0.44 0.29 -0.38 -0.13 -0.25 0.00 0.00 175.52 175.49 3hqo s ARG 424 N -3.06 4.07 0.37 4.72 0.52 -1.26 -4.43 118.95 119.88 3hqo s ARG 424 Ca 0.04 -0.10 0.10 0.00 -0.52 0.00 0.00 55.73 55.25 3hqo s ARG 424 Cb 0.07 -3.58 0.71 0.00 0.52 0.00 0.00 34.95 32.67 3hqo s ARG 424 CO 0.73 -0.06 1.85 1.25 0.02 0.00 0.00 175.30 179.09 3hqo h LEU 425 N 7.86 0.15 -0.82 2.53 5.85 -1.95 -2.79 115.31 126.14 3hqo h LEU 425 Ca -0.36 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3hqo h LEU 425 Cb 1.17 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3hqo h LEU 425 CO 0.65 0.42 0.48 -0.61 -0.34 0.00 0.00 178.44 179.05 3hqo h GLN 426 N 0.14 1.11 -0.12 1.25 4.15 -1.97 -2.60 115.11 117.07 3hqo h GLN 426 Ca 0.02 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.37 3hqo h GLN 426 Cb 0.55 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3hqo h GLN 426 CO 0.04 0.79 0.09 1.15 -1.93 0.00 0.00 178.83 178.97 3hqo h THR 427 N 1.12 0.91 -0.49 2.39 2.02 -1.79 -0.86 112.91 116.21 3hqo h THR 427 Ca 0.29 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.40 3hqo h THR 427 Cb -0.03 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3hqo h THR 427 CO -0.05 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.86 3hqo h ARG 429 N 0.72 0.35 0.00 0.00 3.08 -1.39 -3.18 114.38 113.96 3hqo h ARG 429 Ca 0.14 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hqo h ARG 429 Cb 0.48 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3hqo h ARG 429 CO 0.02 0.77 0.00 1.96 -1.07 0.00 0.00 179.97 181.65 3hqo h GLN 430 N -0.05 0.00 -0.01 0.04 4.20 -1.12 0.37 115.11 118.54 3hqo h GLN 430 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hqo h GLN 430 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3hqo h GLN 430 CO 0.04 0.00 -0.15 1.28 -0.67 0.00 0.00 178.83 179.33 3hqo n LEU 431 N -2.35 1.30 0.00 1.46 4.77 -0.52 -4.14 117.00 117.53 3hqo n LEU 431 Ca 0.00 -0.39 0.03 0.00 -0.03 0.00 0.00 56.01 55.62 3hqo n LEU 431 Cb 0.15 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 3hqo n LEU 431 CO 0.16 0.23 0.45 0.59 -1.33 0.00 0.00 177.39 177.49 3hqo n ASN 432 N -0.24 0.00 -0.02 -1.43 4.13 0.12 -2.61 115.26 115.22 3hqo n ASN 432 Ca 0.15 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 55.25 3hqo n ASN 432 Cb 0.36 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 3hqo n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3hqo n ILE 433 N -0.62 0.00 -3.94 2.41 -5.35 -1.26 -4.68 119.36 105.91 3hqo n ILE 433 Ca 0.04 -0.49 -0.35 0.00 -0.27 0.00 0.00 62.75 61.67 3hqo n ILE 433 Cb 0.02 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.84 3hqo n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3hqo s THR 434 N -0.42 5.04 0.43 7.28 2.01 -1.07 -4.52 115.64 124.39 3hqo s THR 434 Ca 0.01 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.80 3hqo s THR 434 Cb 0.01 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 3hqo s THR 434 CO 0.01 0.50 1.34 -1.58 -0.69 0.00 0.00 174.62 174.20 3hqo s GLN 435 N -0.01 3.82 -1.23 4.92 -0.44 -1.26 -3.99 119.66 121.48 3hqo s GLN 435 Ca 0.07 2.23 -0.04 0.00 -2.50 0.00 0.00 55.36 55.13 3hqo s GLN 435 Cb -0.12 -2.68 0.00 0.00 -1.64 0.00 0.00 33.01 28.57 3hqo s GLN 435 CO 0.00 -0.64 0.50 0.41 0.50 0.00 0.00 175.29 176.06 3hqo n GLY 436 N 0.63 -0.27 3.12 2.59 0.00 0.24 -4.87 105.19 106.63 3hqo n GLY 436 Ca 0.05 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3hqo n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqo s VAL 437 N -3.05 1.18 -0.03 1.61 1.01 -1.26 -2.19 120.40 117.68 3hqo s VAL 437 Ca 0.25 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.65 3hqo s VAL 437 Cb -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3hqo s VAL 437 CO 0.31 0.34 -0.21 -1.61 0.00 0.00 0.00 175.10 173.93 3hqo s GLU 438 N -0.27 1.90 -0.12 2.72 2.02 0.53 -4.94 118.70 120.53 3hqo s GLU 438 Ca 0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 3hqo s GLU 438 Cb -0.07 -1.72 -0.03 0.00 0.10 0.00 0.00 34.13 32.41 3hqo s GLU 438 CO -0.00 0.38 0.02 -1.12 0.02 0.00 0.00 175.26 174.55 3hqo s SER 439 N -0.27 5.32 -0.17 -0.19 0.01 -1.26 0.13 113.70 117.27 3hqo s SER 439 Ca 0.02 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.39 3hqo s SER 439 Cb -0.10 -1.68 0.02 0.00 0.21 0.00 0.00 66.02 64.46 3hqo s SER 439 CO 0.01 0.29 -0.18 -0.69 0.41 0.00 0.00 173.24 173.08 3hqo s VAL 440 N -0.37 1.92 -0.30 3.43 1.01 0.52 -4.92 120.40 121.69 3hqo s VAL 440 Ca 0.08 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 3hqo s VAL 440 Cb -0.12 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3hqo s VAL 440 CO 0.02 0.52 1.15 0.12 0.00 0.00 0.00 175.10 176.90 3hqo s PHE 441 N 1.35 3.00 -0.44 5.22 5.36 -1.26 -2.10 117.98 129.11 3hqo s PHE 441 Ca 0.05 1.10 -0.15 0.00 -0.96 0.00 0.00 56.93 56.97 3hqo s PHE 441 Cb -0.13 -3.73 0.05 0.00 -0.34 0.00 0.00 43.02 38.87 3hqo s PHE 441 CO -0.12 -1.09 0.34 0.12 -1.46 0.00 0.00 175.22 173.01 3hqo s PHE 442 N 3.83 3.25 -0.32 10.12 5.36 -0.16 -4.98 117.98 135.08 3hqo s PHE 442 Ca 0.49 -0.82 -0.28 0.00 -0.96 0.00 0.00 56.93 55.35 3hqo s PHE 442 Cb -0.14 -2.89 -0.03 0.00 -0.34 0.00 0.00 43.02 39.63 3hqo s PHE 442 CO 0.17 -0.71 1.89 0.34 -1.46 0.00 0.00 175.22 175.45 3hqo s ASP 443 N 2.15 5.77 0.19 6.13 -1.08 -1.26 -4.14 116.67 124.43 3hqo s ASP 443 Ca 0.04 1.39 0.06 0.00 -0.52 0.00 0.00 52.55 53.52 3hqo s ASP 443 Cb -0.22 -2.52 0.05 0.00 -1.46 0.00 0.00 42.92 38.77 3hqo s ASP 443 CO 0.08 -1.79 1.43 0.00 0.52 0.00 0.00 175.17 175.40 3hqo h ALA 444 N 13.45 0.62 -0.06 3.66 0.00 -1.85 -2.72 119.26 132.37 3hqo h ALA 444 Ca -0.35 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3hqo h ALA 444 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hqo h ALA 444 CO 1.02 0.97 0.00 -0.25 0.00 0.00 0.00 179.25 180.99 3hqo n ASP 445 N -3.62 1.19 0.00 0.00 9.92 -1.26 -3.13 116.55 119.66 3hqo n ASP 445 Ca -0.02 -1.48 0.00 0.00 -0.53 0.00 0.00 54.79 52.76 3hqo n ASP 445 Cb 0.78 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.23 3hqo n ASP 445 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3hqo n LYS 446 N -0.04 0.00 0.00 -1.24 2.85 -1.24 -4.86 118.16 113.63 3hqo n LYS 446 Ca 0.18 -0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 3hqo n LYS 446 Cb 0.28 -0.43 0.00 0.00 -0.65 0.00 0.00 35.03 34.24 3hqo n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqo n LEU 447 N 0.00 0.72 0.00 -5.58 4.77 -1.03 -5.09 117.00 110.79 3hqo n LEU 447 Ca 0.00 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 3hqo n LEU 447 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hqo n LEU 447 CO 0.00 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3hqo n GLY 448 N -0.09 -0.52 0.13 -0.72 0.00 -1.18 -4.75 105.19 98.04 3hqo n GLY 448 Ca 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 3hqo n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hqo h HIS 449 N 0.00 0.32 -5.75 1.61 3.86 -1.95 -3.44 115.15 109.80 3hqo h HIS 449 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 3hqo h HIS 449 Cb 0.00 -0.11 0.06 0.00 1.06 0.00 0.00 27.41 28.42 3hqo h HIS 449 CO 0.00 0.24 -0.52 -3.47 0.86 0.00 0.00 177.93 175.04 3hqo n ASP 450 N -4.89 -6.67 0.00 2.45 2.03 -1.26 -4.89 116.55 103.32 3hqo n ASP 450 Ca -0.02 -0.51 0.10 0.00 0.52 0.00 0.00 54.79 54.87 3hqo n ASP 450 Cb 0.05 -4.39 0.59 0.00 -0.72 0.00 0.00 41.12 36.65 3hqo n ASP 450 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hqo n GLU 451 N -2.65 0.95 0.00 -0.67 0.00 -1.26 -2.68 120.64 114.32 3hqo n GLU 451 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.20 3hqo n GLU 451 Cb 0.57 -1.33 0.18 0.00 0.00 0.00 0.00 31.44 30.86 3hqo n GLU 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hqo n GLY 452 N 0.74 -0.82 4.22 -1.84 0.00 -1.26 -4.96 105.19 101.27 3hqo n GLY 452 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hqo n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqo n LYS 453 N -1.02 0.00 0.01 1.61 4.76 -1.09 -4.84 118.16 117.58 3hqo n LYS 453 Ca 0.08 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.41 3hqo n LYS 453 Cb 0.36 -3.34 -0.05 0.00 -1.84 0.00 0.00 35.03 30.15 3hqo n LYS 453 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3hqo h GLU 454 N 0.70 0.03 -0.06 1.97 5.08 -1.93 -2.35 114.58 118.03 3hqo h GLU 454 Ca 0.00 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3hqo h GLU 454 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hqo h GLU 454 CO 0.00 0.02 -0.71 0.45 -1.00 0.00 0.00 179.01 177.77 3hqo h HIS 455 N 0.04 0.40 0.13 4.33 3.86 -1.93 -3.01 115.15 118.96 3hqo h HIS 455 Ca 0.04 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 3hqo h HIS 455 Cb 0.04 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3hqo h HIS 455 CO -0.11 0.91 -0.06 0.00 0.86 0.00 0.00 177.93 179.52 3hqo h ARG 456 N 0.20 -0.16 -0.62 2.45 3.08 -1.92 -2.26 114.38 115.16 3hqo h ARG 456 Ca -0.02 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.15 3hqo h ARG 456 Cb 1.27 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.27 3hqo h ARG 456 CO 0.11 0.27 0.18 0.28 -1.07 0.00 0.00 179.97 179.74 3hqo h VAL 457 N -0.67 0.68 0.00 2.04 2.07 -1.51 -0.14 116.25 118.72 3hqo h VAL 457 Ca -0.02 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3hqo h VAL 457 Cb 0.51 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3hqo h VAL 457 CO 0.03 0.06 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 3hqo h ALA 458 N 1.46 1.03 -0.11 1.67 0.00 -1.57 -2.57 119.26 119.17 3hqo h ALA 458 Ca 0.32 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3hqo h ALA 458 Cb 0.46 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hqo h ALA 458 CO -0.37 0.10 -0.54 0.00 0.00 0.00 0.00 179.25 178.44 3hqo h ALA 459 N 1.92 0.21 -0.89 0.00 0.00 -0.43 -2.64 119.26 117.42 3hqo h ALA 459 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3hqo h ALA 459 Cb 0.57 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3hqo h ALA 459 CO 0.01 0.42 0.52 0.78 0.00 0.00 0.00 179.25 180.98 3hqo h GLY 460 N 0.17 1.31 1.79 0.00 0.00 -1.06 -1.81 103.07 103.48 3hqo h GLY 460 Ca -0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 3hqo h GLY 460 CO 0.11 0.54 -0.33 -2.08 0.00 0.00 0.00 176.54 174.79 3hqo h VAL 461 N 1.24 1.27 -0.39 4.60 2.07 -1.51 -1.86 116.25 121.67 3hqo h VAL 461 Ca 0.32 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 3hqo h VAL 461 Cb -0.03 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3hqo h VAL 461 CO -0.06 0.39 -0.16 -0.08 0.02 0.00 0.00 177.57 177.68 3hqo h GLU 462 N 0.21 0.80 -0.54 1.57 4.57 -1.05 0.07 114.58 120.21 3hqo h GLU 462 Ca 0.03 -0.34 0.05 0.00 -1.18 0.00 0.00 59.36 57.92 3hqo h GLU 462 Cb 0.69 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 3hqo h GLU 462 CO 0.05 0.96 0.28 0.35 -1.18 0.00 0.00 179.01 179.47 3hqo h PHE 463 N 0.60 0.51 -0.49 0.92 3.57 -1.14 0.15 116.94 121.07 3hqo h PHE 463 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3hqo h PHE 463 Cb 0.71 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3hqo h PHE 463 CO 0.06 0.25 0.31 0.00 -2.23 0.00 0.00 178.31 176.69 3hqo h ALA 464 N 1.29 0.62 -0.63 2.41 0.00 -1.13 -0.82 119.26 121.01 3hqo h ALA 464 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hqo h ALA 464 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hqo h ALA 464 CO -0.16 0.03 0.24 0.87 0.00 0.00 0.00 179.25 180.22 3hqo h LYS 465 N 0.62 0.92 -0.16 0.00 1.57 -0.38 -1.53 116.57 117.61 3hqo h LYS 465 Ca 0.19 -0.15 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 3hqo h LYS 465 Cb -0.03 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.13 3hqo h LYS 465 CO -0.06 0.76 -0.72 0.66 -0.57 0.00 0.00 179.45 179.52 3hqo h SER 466 N 0.90 0.92 0.25 0.86 4.64 -0.39 -3.10 113.55 117.64 3hqo h SER 466 Ca 0.21 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3hqo h SER 466 Cb 0.19 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3hqo h SER 466 CO -0.02 1.39 0.00 0.29 -0.87 0.00 0.00 176.83 177.62 3hqo n LYS 467 N -3.98 0.59 -2.85 4.77 4.76 -0.34 -4.92 118.16 116.19 3hqo n LYS 467 Ca -0.07 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.29 3hqo n LYS 467 Cb 0.72 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.46 3hqo n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqo n GLY 468 N 0.77 -0.02 0.13 0.72 0.00 -1.00 -4.98 105.19 100.81 3hqo n GLY 468 Ca 0.16 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3hqo n GLY 468 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hqo n TYR 469 N -2.89 0.18 -4.49 1.61 4.01 -0.61 -4.99 117.16 109.98 3hqo n TYR 469 Ca -0.16 0.07 -0.30 0.00 -0.16 0.00 0.00 57.90 57.35 3hqo n TYR 469 Cb 0.60 -1.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.49 3hqo n TYR 469 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hqo s VAL 470 N -2.49 2.92 0.00 -0.72 -7.23 -1.24 -4.80 120.40 106.84 3hqo s VAL 470 Ca -0.37 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3hqo s VAL 470 Cb 0.13 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3hqo s VAL 470 CO 0.53 0.24 0.00 0.00 -0.31 0.00 0.00 175.10 175.56 3hqo n GLN 471 N 1.22 2.95 -2.84 4.82 6.02 -1.26 -4.46 117.38 123.82 3hqo n GLN 471 Ca -0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.40 3hqo n GLN 471 Cb 0.52 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.74 3hqo n GLN 471 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqo s THR 472 N 1.53 4.52 0.00 5.09 2.01 -1.26 -3.81 115.64 123.71 3hqo s THR 472 Ca 0.00 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.75 3hqo s THR 472 Cb 0.00 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 68.11 3hqo s THR 472 CO 0.00 -0.77 0.00 0.61 -0.69 0.00 0.00 174.62 173.77 3hqo n GLY 473 N 4.87 1.27 3.97 4.40 0.00 -0.35 -5.01 105.19 114.34 3hqo n GLY 473 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3hqo n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqo s ASP 474 N -2.00 5.91 -0.04 1.61 1.01 -1.25 -4.85 116.67 117.06 3hqo s ASP 474 Ca 0.00 0.07 -0.13 0.00 0.71 0.00 0.00 52.55 53.20 3hqo s ASP 474 Cb 0.00 -1.41 -0.05 0.00 1.01 0.00 0.00 42.92 42.47 3hqo s ASP 474 CO 0.00 -0.57 0.34 -0.31 0.21 0.00 0.00 175.17 174.85 3hqo s TYR 475 N -2.37 3.68 -0.03 4.23 2.02 -1.26 -3.06 117.35 120.55 3hqo s TYR 475 Ca 0.46 0.87 0.01 0.00 -0.37 0.00 0.00 57.07 58.04 3hqo s TYR 475 Cb -0.10 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3hqo s TYR 475 CO 0.35 0.64 -0.03 0.00 -1.57 0.00 0.00 175.55 174.93 3hqo s VAL 477 N 0.78 4.89 -0.13 0.00 1.01 -1.08 -1.85 120.40 124.02 3hqo s VAL 477 Ca -0.10 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3hqo s VAL 477 Cb -0.13 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3hqo s VAL 477 CO -0.00 0.47 -0.17 -0.69 0.00 0.00 0.00 175.10 174.70 3hqo s VAL 478 N 0.28 1.73 -0.03 2.92 1.01 0.38 0.03 120.40 126.72 3hqo s VAL 478 Ca 0.04 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3hqo s VAL 478 Cb -0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3hqo s VAL 478 CO -0.00 0.49 -0.22 -0.63 0.00 0.00 0.00 175.10 174.74 3hqo s ILE 479 N 1.07 2.41 -0.29 2.22 1.01 -0.07 -1.22 121.20 126.33 3hqo s ILE 479 Ca -0.03 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.47 3hqo s ILE 479 Cb -0.14 -1.88 0.16 0.00 0.01 0.00 0.00 42.46 40.60 3hqo s ILE 479 CO -0.05 0.57 1.02 -1.38 0.00 0.00 0.00 174.94 175.11 3hqo s HIS 480 N -0.66 -0.54 0.00 3.97 -3.43 -0.37 -2.33 115.29 111.93 3hqo s HIS 480 Ca 0.11 1.00 0.00 0.00 -0.80 0.00 0.00 55.06 55.37 3hqo s HIS 480 Cb -0.10 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.37 3hqo s HIS 480 CO -0.00 -0.27 0.00 2.48 -2.00 0.00 0.00 174.74 174.95 3hqo n TYR 488 N 4.16 0.00 -2.98 0.38 0.18 -1.26 -4.28 117.16 113.37 3hqo n TYR 488 Ca -0.14 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.22 3hqo n TYR 488 Cb 0.55 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.46 3hqo n TYR 488 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hqo s ALA 489 N 0.00 3.49 -0.02 -3.48 0.00 -1.26 -4.89 121.76 115.60 3hqo s ALA 489 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.44 3hqo s ALA 489 Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3hqo s ALA 489 CO 0.00 -1.29 0.92 0.27 0.00 0.00 0.00 175.76 175.66 3hqo n ASN 490 N 6.23 0.43 -3.82 0.00 2.04 -1.26 -4.55 115.26 114.34 3hqo n ASN 490 Ca 0.03 -1.95 -0.14 0.00 -0.44 0.00 0.00 54.58 52.07 3hqo n ASN 490 Cb 0.48 -0.18 -0.15 0.00 -2.53 0.00 0.00 39.78 37.40 3hqo n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3hqo s GLN 491 N -0.46 0.03 -0.01 -3.83 0.74 -1.26 -5.03 119.66 109.84 3hqo s GLN 491 Ca 0.05 0.10 0.03 0.00 0.05 0.00 0.00 55.36 55.59 3hqo s GLN 491 Cb 0.04 -0.20 -0.01 0.00 1.10 0.00 0.00 33.01 33.94 3hqo s GLN 491 CO 0.00 -0.10 -0.09 -0.08 -0.55 0.00 0.00 175.29 174.47 3hqo s THR 492 N 0.68 0.76 0.01 -0.34 -1.32 -1.26 -1.24 115.64 112.92 3hqo s THR 492 Ca -0.06 -0.40 0.01 0.00 -1.21 0.00 0.00 61.69 60.03 3hqo s THR 492 Cb -0.08 -0.64 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 3hqo s THR 492 CO -0.02 0.22 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.44 3hqo s ARG 493 N -0.16 0.31 -0.22 7.08 0.52 -0.35 -5.00 118.95 121.13 3hqo s ARG 493 Ca 0.03 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.86 3hqo s ARG 493 Cb -0.04 -0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.24 3hqo s ARG 493 CO -0.00 0.04 -0.03 0.42 0.02 0.00 0.00 175.30 175.74 3hqo s ILE 494 N -0.60 3.49 0.11 1.52 1.01 -1.26 -0.47 121.20 124.99 3hqo s ILE 494 Ca -0.04 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.23 3hqo s ILE 494 Cb -0.05 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3hqo s ILE 494 CO -0.00 0.42 -0.20 -1.48 0.00 0.00 0.00 174.94 173.68 3hqo s LEU 495 N 1.44 2.32 0.41 2.97 0.05 -0.77 -4.99 118.68 120.10 3hqo s LEU 495 Ca 0.05 -0.71 -0.18 0.00 0.05 0.00 0.00 54.13 53.34 3hqo s LEU 495 Cb -0.14 -0.83 -0.10 0.00 -2.05 0.00 0.00 46.19 43.06 3hqo s LEU 495 CO -0.02 0.03 0.89 -0.76 -0.55 0.00 0.00 176.35 175.93 3hqo s LEU 496 N -2.01 3.93 -0.08 1.48 1.02 -1.26 -2.27 118.68 119.50 3hqo s LEU 496 Ca 0.07 1.53 0.01 0.00 0.02 0.00 0.00 54.13 55.77 3hqo s LEU 496 Cb -0.09 -4.38 -0.03 0.00 0.02 0.00 0.00 46.19 41.71 3hqo s LEU 496 CO 0.04 -0.35 -0.10 0.68 0.02 0.00 0.00 176.35 176.64 3hqo s VAL 497 N -2.19 3.39 -2.71 -1.59 -7.23 -1.17 -4.97 120.40 103.92 3hqo s VAL 497 Ca 0.59 -0.59 0.26 0.00 -1.81 0.00 0.00 61.98 60.44 3hqo s VAL 497 Cb -0.09 -2.38 0.40 0.00 0.56 0.00 0.00 36.38 34.87 3hqo s VAL 497 CO 0.17 0.58 1.54 -0.62 -0.31 0.00 0.00 175.10 176.47