#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqn h GLN 2 N 0.00 0.51 -0.09 -1.46 5.75 -1.99 -2.84 115.11 115.00 3hqn h GLN 2 Ca 0.00 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3hqn h GLN 2 Cb 0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3hqn h GLN 2 CO 0.00 0.34 0.03 1.25 -2.65 0.00 0.00 178.83 177.80 3hqn h LEU 3 N 0.53 0.03 -0.82 -2.39 6.46 -2.00 0.27 115.31 117.38 3hqn h LEU 3 Ca 0.61 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 58.28 3hqn h LEU 3 Cb 1.29 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.21 3hqn h LEU 3 CO -0.38 0.03 -0.20 0.00 -0.62 0.00 0.00 178.44 177.28 3hqn h ALA 4 N 1.05 1.00 -0.35 1.25 0.00 -2.00 -2.75 119.26 117.46 3hqn h ALA 4 Ca 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3hqn h ALA 4 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hqn h ALA 4 CO -0.04 0.59 -0.14 1.25 0.00 0.00 0.00 179.25 180.91 3hqn h HIS 5 N 0.59 0.69 -0.97 0.00 -0.00 -1.05 -2.69 115.15 111.71 3hqn h HIS 5 Ca 0.09 -0.12 0.10 0.00 -0.00 0.00 0.00 60.37 60.44 3hqn h HIS 5 Cb 0.66 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.82 3hqn h HIS 5 CO 0.03 0.74 0.62 -0.91 -0.00 0.00 0.00 177.93 178.41 3hqn h ASN 6 N 0.57 0.92 0.40 3.26 2.35 -0.21 -2.51 115.58 120.37 3hqn h ASN 6 Ca 0.10 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3hqn h ASN 6 Cb 0.58 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3hqn h ASN 6 CO 0.04 0.53 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.15 3hqn h LEU 7 N 1.01 0.00 0.00 1.61 3.38 -1.38 -2.72 115.31 117.21 3hqn h LEU 7 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3hqn h LEU 7 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hqn h LEU 7 CO -0.21 0.13 -0.68 0.35 0.09 0.00 0.00 178.44 178.11 3hqn n THR 8 N -3.63 0.01 -2.71 0.22 -2.24 -0.95 -4.97 114.28 100.01 3hqn n THR 8 Ca -0.02 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 3hqn n THR 8 Cb 0.25 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 3hqn n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqn s LEU 9 N -3.05 3.90 -0.08 3.22 1.43 -1.03 -5.08 118.68 118.00 3hqn s LEU 9 Ca 0.10 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.00 3hqn s LEU 9 Cb 0.17 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.86 3hqn s LEU 9 CO 0.76 -0.53 -0.12 -0.55 0.23 0.00 0.00 176.35 176.14 3hqn s SER 10 N -2.09 1.96 0.03 2.29 0.15 -1.26 -5.01 113.70 109.77 3hqn s SER 10 Ca 0.64 -0.32 0.13 0.00 0.70 0.00 0.00 55.95 57.10 3hqn s SER 10 Cb -0.12 -0.88 0.57 0.00 -1.71 0.00 0.00 66.02 63.88 3hqn s SER 10 CO 0.16 0.01 1.42 2.30 1.20 0.00 0.00 173.24 178.32 3hqn n ILE 11 N 4.05 1.15 1.36 6.45 -5.35 -1.26 -2.09 119.36 123.68 3hqn n ILE 11 Ca -0.21 0.30 0.13 0.00 -0.27 0.00 0.00 62.75 62.71 3hqn n ILE 11 Cb 0.51 -1.12 0.41 0.00 -1.74 0.00 0.00 39.64 37.70 3hqn n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hqn n PHE 12 N -1.60 0.00 -1.84 4.28 3.72 -1.26 -4.93 117.46 115.84 3hqn n PHE 12 Ca 0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.12 3hqn n PHE 12 Cb 0.14 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 3hqn n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hqn s ASP 13 N -2.03 6.13 0.66 4.37 1.01 -0.89 -5.02 116.67 120.91 3hqn s ASP 13 Ca 0.35 1.44 -0.16 0.00 0.71 0.00 0.00 52.55 54.90 3hqn s ASP 13 Cb 0.21 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.67 3hqn s ASP 13 CO 0.34 -0.94 1.14 -2.84 0.21 0.00 0.00 175.17 173.08 3hqn s PRO 14 N -5.16 2.70 0.92 8.23 0.02 -1.26 -5.03 135.00 135.41 3hqn s PRO 14 Ca 0.55 1.52 -0.13 0.00 0.02 0.00 0.00 61.00 62.96 3hqn s PRO 14 Cb -0.11 -1.93 0.15 0.00 0.02 0.00 0.00 34.50 32.63 3hqn s PRO 14 CO 0.54 -1.35 1.17 0.14 -0.33 0.00 0.00 177.00 177.17 3hqn s VAL 15 N -2.17 1.97 1.03 3.83 -7.23 -1.26 -5.04 120.40 111.52 3hqn s VAL 15 Ca 0.70 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.75 3hqn s VAL 15 Cb -0.23 -2.82 0.21 0.00 0.56 0.00 0.00 36.38 34.09 3hqn s VAL 15 CO 0.41 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.27 3hqn s ALA 16 N -3.42 0.60 -1.98 1.32 0.00 -1.26 -4.95 121.76 112.06 3hqn s ALA 16 Ca 0.66 0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.78 3hqn s ALA 16 Cb -0.12 -3.28 0.30 0.00 0.00 0.00 0.00 23.12 20.02 3hqn s ALA 16 CO 0.52 -3.15 1.25 0.27 0.00 0.00 0.00 175.76 174.65 3hqn n ASN 17 N -4.45 1.81 -3.60 0.00 2.04 -1.26 -4.89 115.26 104.91 3hqn n ASN 17 Ca 0.06 -2.00 -0.16 0.00 -0.44 0.00 0.00 54.58 52.04 3hqn n ASN 17 Cb 0.54 -0.23 -0.07 0.00 -2.53 0.00 0.00 39.78 37.49 3hqn n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hqn s TYR 18 N -1.55 -0.49 -0.19 -2.53 -0.85 -1.26 -5.03 117.35 105.45 3hqn s TYR 18 Ca 0.23 0.80 -0.04 0.00 -0.52 0.00 0.00 57.07 57.53 3hqn s TYR 18 Cb 0.12 0.31 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 3hqn s TYR 18 CO 0.15 -0.54 -0.02 0.50 -1.52 0.00 0.00 175.55 174.12 3hqn s ARG 19 N -1.34 3.61 -0.06 -3.49 3.52 -1.26 -5.01 118.95 114.93 3hqn s ARG 19 Ca -0.11 -0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 3hqn s ARG 19 Cb -0.02 -3.01 -0.30 0.00 -1.56 0.00 0.00 34.95 30.06 3hqn s ARG 19 CO 0.07 0.07 0.64 0.00 -0.81 0.00 0.00 175.30 175.27 3hqn h ALA 20 N 7.27 0.18 -2.68 6.12 0.00 -1.95 -3.44 119.26 124.76 3hqn h ALA 20 Ca -0.35 -1.16 -0.52 0.00 0.00 0.00 0.00 54.91 52.88 3hqn h ALA 20 Cb 1.18 0.48 0.11 0.00 0.00 0.00 0.00 17.79 19.56 3hqn h ALA 20 CO 0.61 1.04 0.43 0.00 0.00 0.00 0.00 179.25 181.33 3hqn s ALA 21 N -2.57 2.47 0.06 0.00 0.00 -1.26 -0.71 121.76 119.75 3hqn s ALA 21 Ca -0.17 0.85 0.06 0.00 0.00 0.00 0.00 51.96 52.70 3hqn s ALA 21 Cb 0.05 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3hqn s ALA 21 CO 0.84 -1.26 -0.11 1.03 0.00 0.00 0.00 175.76 176.27 3hqn s ARG 22 N -3.61 2.24 -0.20 0.00 1.81 0.01 -4.90 118.95 114.29 3hqn s ARG 22 Ca 0.74 -0.93 -0.05 0.00 -1.72 0.00 0.00 55.73 53.77 3hqn s ARG 22 Cb -0.27 -2.34 -0.02 0.00 -0.45 0.00 0.00 34.95 31.88 3hqn s ARG 22 CO 0.36 0.54 -0.01 0.42 -0.68 0.00 0.00 175.30 175.93 3hqn s ILE 23 N -1.10 3.81 -0.18 1.52 1.01 -1.26 -1.63 121.20 123.38 3hqn s ILE 23 Ca 0.19 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 3hqn s ILE 23 Cb -0.11 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3hqn s ILE 23 CO 0.10 0.43 0.10 -0.63 0.00 0.00 0.00 174.94 174.94 3hqn s ILE 24 N 1.06 5.15 -0.04 2.92 1.01 -0.27 -1.37 121.20 129.66 3hqn s ILE 24 Ca 0.02 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.82 3hqn s ILE 24 Cb -0.14 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3hqn s ILE 24 CO 0.01 0.48 -0.24 0.00 0.00 0.00 0.00 174.94 175.19 3hqn s THR 26 N -0.38 4.87 -0.12 0.00 2.01 -0.77 -0.78 115.64 120.46 3hqn s THR 26 Ca 0.03 1.35 -0.19 0.00 0.31 0.00 0.00 61.69 63.20 3hqn s THR 26 Cb -0.12 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 3hqn s THR 26 CO 0.02 0.40 0.51 -0.63 -0.69 0.00 0.00 174.62 174.22 3hqn s ILE 27 N -0.10 5.16 0.00 1.82 -1.09 -0.32 -2.61 121.20 124.06 3hqn s ILE 27 Ca 0.33 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.77 3hqn s ILE 27 Cb -0.19 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3hqn s ILE 27 CO 0.19 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3hqn n GLY 28 N 3.32 3.93 0.27 6.18 0.00 -1.23 -4.65 105.19 113.00 3hqn n GLY 28 Ca -0.06 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.13 3hqn n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqn h PRO 29 N 0.00 0.00 0.00 1.61 0.13 -1.68 0.13 132.00 132.19 3hqn h PRO 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hqn h PRO 29 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hqn h PRO 29 CO 0.00 0.02 0.00 0.77 -0.23 0.00 0.00 178.00 178.56 3hqn h SER 30 N 0.00 0.00 0.00 1.44 0.02 -1.53 -3.36 113.55 110.12 3hqn h SER 30 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqn h SER 30 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3hqn h SER 30 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 3hqn n THR 31 N -2.79 0.09 0.25 -2.27 -2.24 0.31 -4.88 114.28 102.76 3hqn n THR 31 Ca 0.01 -0.16 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 3hqn n THR 31 Cb 0.30 1.40 0.19 0.00 -2.10 0.00 0.00 70.33 70.12 3hqn n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqn h GLN 32 N 0.00 0.00 -7.23 -0.78 4.15 -1.34 -3.33 115.11 106.57 3hqn h GLN 32 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.91 3hqn h GLN 32 Cb 0.61 0.00 0.13 0.00 0.21 0.00 0.00 27.48 28.42 3hqn h GLN 32 CO 0.00 0.00 0.35 -1.54 -1.93 0.00 0.00 178.83 175.71 3hqn s SER 33 N -6.07 4.62 0.14 -0.69 1.04 -1.26 -4.81 113.70 106.67 3hqn s SER 33 Ca 0.07 2.02 -0.25 0.00 0.48 0.00 0.00 55.95 58.28 3hqn s SER 33 Cb 0.06 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 3hqn s SER 33 CO 0.66 -1.96 1.63 0.58 0.98 0.00 0.00 173.24 175.13 3hqn h VAL 34 N -0.49 0.37 -0.62 5.02 2.07 -1.89 -1.32 116.25 119.40 3hqn h VAL 34 Ca -0.46 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.14 3hqn h VAL 34 Cb 1.25 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 3hqn h VAL 34 CO 0.52 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 178.07 3hqn h GLU 35 N -0.35 0.51 -0.86 1.57 4.39 -1.94 -1.15 114.58 116.75 3hqn h GLU 35 Ca 0.10 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3hqn h GLU 35 Cb 0.49 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 3hqn h GLU 35 CO -0.31 0.34 0.49 0.00 -1.16 0.00 0.00 179.01 178.37 3hqn h ALA 36 N 1.38 1.10 -0.30 3.43 0.00 -1.80 -1.92 119.26 121.15 3hqn h ALA 36 Ca 0.30 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hqn h ALA 36 Cb 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hqn h ALA 36 CO -0.24 0.59 -0.09 -0.07 0.00 0.00 0.00 179.25 179.43 3hqn h LEU 37 N 1.19 0.48 -0.54 0.00 3.38 -0.66 -0.91 115.31 118.26 3hqn h LEU 37 Ca 0.31 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3hqn h LEU 37 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hqn h LEU 37 CO -0.05 0.61 -0.06 0.11 0.09 0.00 0.00 178.44 179.13 3hqn h LYS 38 N 0.47 1.00 -0.95 1.13 1.57 -1.00 -0.62 116.57 118.16 3hqn h LYS 38 Ca 0.09 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3hqn h LYS 38 Cb 0.44 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3hqn h LYS 38 CO 0.02 1.03 0.59 0.78 -0.57 0.00 0.00 179.45 181.31 3hqn h GLY 39 N 0.87 1.37 0.88 3.86 0.00 -0.47 -1.08 103.07 108.50 3hqn h GLY 39 Ca 0.14 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3hqn h GLY 39 CO 0.04 0.53 -0.06 1.41 0.00 0.00 0.00 176.54 178.46 3hqn h LEU 40 N 1.30 -0.15 -0.32 3.11 4.07 -1.00 0.55 115.31 122.88 3hqn h LEU 40 Ca 0.34 -0.10 0.05 0.00 0.08 0.00 0.00 57.88 58.25 3hqn h LEU 40 Cb -0.09 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 3hqn h LEU 40 CO -0.07 0.01 0.05 0.40 -1.08 0.00 0.00 178.44 177.75 3hqn h ILE 41 N -0.30 0.83 0.00 1.22 2.04 -0.96 -0.93 117.51 119.41 3hqn h ILE 41 Ca -0.02 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3hqn h ILE 41 Cb 0.24 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3hqn h ILE 41 CO 0.03 0.03 -0.34 1.56 0.00 0.00 0.00 178.15 179.43 3hqn h GLN 42 N 0.16 0.00 0.00 2.37 4.20 -1.08 -2.34 115.11 118.43 3hqn h GLN 42 Ca 0.15 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3hqn h GLN 42 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3hqn h GLN 42 CO -0.21 0.34 -0.18 0.77 -0.67 0.00 0.00 178.83 178.88 3hqn h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.08 -3.47 113.55 111.48 3hqn h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqn h SER 43 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3hqn h SER 43 CO 0.04 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.53 3hqn n GLY 44 N 0.24 -0.14 3.74 -3.77 0.00 -0.57 -3.93 105.19 100.77 3hqn n GLY 44 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hqn n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hqn s MET 45 N 0.00 4.44 -0.01 1.61 0.00 -0.46 -4.33 119.30 120.55 3hqn s MET 45 Ca 0.00 1.98 0.06 0.00 0.00 0.00 0.00 55.69 57.73 3hqn s MET 45 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 34.83 31.53 3hqn s MET 45 CO 0.00 -0.15 0.13 0.43 0.00 0.00 0.00 175.02 175.42 3hqn n SER 46 N 2.34 3.58 -3.80 1.11 7.64 -0.47 -4.60 113.62 119.43 3hqn n SER 46 Ca 0.04 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.77 3hqn n SER 46 Cb 0.44 1.23 -0.16 0.00 -1.01 0.00 0.00 64.21 64.71 3hqn n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqn s VAL 47 N -2.41 0.05 -0.27 0.44 1.01 -1.19 -2.14 120.40 115.90 3hqn s VAL 47 Ca -0.02 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 3hqn s VAL 47 Cb 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.21 3hqn s VAL 47 CO 0.26 0.11 0.20 0.00 0.00 0.00 0.00 175.10 175.67 3hqn s ALA 48 N 1.01 3.55 -0.19 5.51 0.00 0.08 -0.79 121.76 130.92 3hqn s ALA 48 Ca -0.09 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 3hqn s ALA 48 Cb -0.13 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 3hqn s ALA 48 CO -0.02 -0.47 0.10 0.50 0.00 0.00 0.00 175.76 175.87 3hqn s ARG 49 N 1.61 4.08 -0.26 0.00 3.52 0.04 -1.04 118.95 126.90 3hqn s ARG 49 Ca 0.08 -0.28 -0.09 0.00 -0.13 0.00 0.00 55.73 55.31 3hqn s ARG 49 Cb -0.15 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3hqn s ARG 49 CO 0.09 0.28 0.12 -1.64 -0.81 0.00 0.00 175.30 173.34 3hqn s MET 50 N 0.38 3.80 -0.64 5.12 -1.94 -0.39 -1.17 119.30 124.46 3hqn s MET 50 Ca 0.06 -0.40 -0.22 0.00 -1.71 0.00 0.00 55.69 53.41 3hqn s MET 50 Cb -0.12 -3.45 0.07 0.00 2.01 0.00 0.00 34.83 33.34 3hqn s MET 50 CO -0.01 -0.14 0.92 1.21 -0.01 0.00 0.00 175.02 176.99 3hqn s ASN 51 N 1.56 6.19 0.00 3.03 2.47 -1.26 -1.25 114.94 125.68 3hqn s ASN 51 Ca 0.06 -0.97 0.14 0.00 0.42 0.00 0.00 52.86 52.52 3hqn s ASN 51 Cb -0.15 -2.40 0.82 0.00 -1.45 0.00 0.00 41.25 38.06 3hqn s ASN 51 CO 0.06 -1.37 1.53 0.49 -3.72 0.00 0.00 177.10 174.09 3hqn n PHE 52 N 7.49 0.01 0.06 0.43 3.01 -0.26 -2.91 117.46 125.29 3hqn n PHE 52 Ca -0.04 -0.01 0.05 0.00 1.01 0.00 0.00 57.45 58.47 3hqn n PHE 52 Cb 0.45 0.00 0.48 0.00 -0.01 0.00 0.00 39.48 40.40 3hqn n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hqn h SER 53 N 0.09 0.35 -3.50 4.37 0.02 -1.81 -3.37 113.55 109.70 3hqn h SER 53 Ca 0.00 -0.01 -0.48 0.00 -0.84 0.00 0.00 61.79 60.46 3hqn h SER 53 Cb 0.02 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 62.31 3hqn h SER 53 CO 0.00 0.25 -0.76 -1.00 -1.14 0.00 0.00 176.83 174.18 3hqn s HIS 54 N -5.39 1.71 0.00 3.45 3.76 -1.15 -4.98 115.29 112.70 3hqn s HIS 54 Ca -0.07 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 3hqn s HIS 54 Cb 0.17 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 33.03 3hqn s HIS 54 CO 0.72 0.31 0.00 0.41 -0.85 0.00 0.00 174.74 175.33 3hqn n GLY 55 N 0.08 0.89 3.91 -2.22 0.00 -1.26 -4.85 105.19 101.74 3hqn n GLY 55 Ca -0.12 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 3hqn n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hqn s SER 56 N -0.71 5.11 0.33 1.61 1.04 -1.26 -4.90 113.70 114.92 3hqn s SER 56 Ca 0.00 0.78 0.09 0.00 0.48 0.00 0.00 55.95 57.30 3hqn s SER 56 Cb 0.00 -1.52 0.82 0.00 0.10 0.00 0.00 66.02 65.42 3hqn s SER 56 CO 0.00 -1.47 1.80 0.45 0.98 0.00 0.00 173.24 175.01 3hqn h HIS 57 N -0.61 0.93 -0.48 5.02 -0.00 -1.98 -1.62 115.15 116.40 3hqn h HIS 57 Ca -0.45 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 59.91 3hqn h HIS 57 Cb 1.29 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.39 3hqn h HIS 57 CO 0.41 0.23 0.17 1.49 -0.00 0.00 0.00 177.93 180.23 3hqn h GLU 58 N 0.69 0.74 -0.51 2.45 4.81 -1.99 0.13 114.58 120.90 3hqn h GLU 58 Ca 0.54 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3hqn h GLU 58 Cb 0.94 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3hqn h GLU 58 CO -0.31 0.69 0.32 -0.92 -0.73 0.00 0.00 179.01 178.05 3hqn h TYR 59 N 0.65 0.59 0.00 0.92 3.20 -1.78 -2.68 116.97 117.87 3hqn h TYR 59 Ca 0.16 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 3hqn h TYR 59 Cb 0.25 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3hqn h TYR 59 CO 0.01 0.35 -0.52 0.45 -1.64 0.00 0.00 178.16 176.81 3hqn h HIS 60 N 0.63 0.00 -0.63 -3.82 3.86 -1.08 -2.72 115.15 111.38 3hqn h HIS 60 Ca 0.20 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3hqn h HIS 60 Cb -0.01 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 3hqn h HIS 60 CO -0.06 0.52 0.24 0.37 0.86 0.00 0.00 177.93 179.86 3hqn h GLN 61 N 0.00 0.93 -0.45 2.45 5.75 -0.58 0.05 115.11 123.27 3hqn h GLN 61 Ca -0.01 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 3hqn h GLN 61 Cb 1.13 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 3hqn h GLN 61 CO 0.07 0.77 0.19 1.15 -2.65 0.00 0.00 178.83 178.36 3hqn h THR 62 N 0.92 1.20 -0.19 2.39 2.02 -1.18 0.13 112.91 118.19 3hqn h THR 62 Ca 0.21 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.82 3hqn h THR 62 Cb 0.20 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3hqn h THR 62 CO -0.02 0.22 0.06 0.74 0.37 0.00 0.00 175.52 176.90 3hqn h THR 63 N 0.58 0.95 -0.65 3.16 2.02 -1.24 0.78 112.91 118.52 3hqn h THR 63 Ca 0.15 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.33 3hqn h THR 63 Cb 0.17 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3hqn h THR 63 CO -0.01 0.03 0.37 0.40 0.37 0.00 0.00 175.52 176.68 3hqn h ILE 64 N 0.15 1.00 -0.20 3.11 2.04 -0.44 0.85 117.51 124.03 3hqn h ILE 64 Ca 0.08 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 3hqn h ILE 64 Cb 0.05 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3hqn h ILE 64 CO -0.08 0.13 -0.32 0.78 0.00 0.00 0.00 178.15 178.66 3hqn h ASN 65 N 0.71 0.62 -0.44 1.72 2.35 -0.43 -2.65 115.58 117.46 3hqn h ASN 65 Ca 0.28 -0.53 -0.07 0.00 -0.55 0.00 0.00 56.30 55.43 3hqn h ASN 65 Cb 0.13 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3hqn h ASN 65 CO -0.16 1.03 0.01 0.78 -1.65 0.00 0.00 177.43 177.44 3hqn h ASN 66 N 0.24 0.80 -0.06 5.81 4.21 -0.46 -1.07 115.58 125.05 3hqn h ASN 66 Ca 0.02 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.33 3hqn h ASN 66 Cb 0.90 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.89 3hqn h ASN 66 CO 0.07 0.86 0.02 0.58 -1.29 0.00 0.00 177.43 177.68 3hqn h VAL 67 N 0.78 1.14 -0.45 2.81 2.07 -0.86 0.24 116.25 121.99 3hqn h VAL 67 Ca 0.15 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3hqn h VAL 67 Cb 0.46 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3hqn h VAL 67 CO 0.02 0.12 0.13 0.03 0.02 0.00 0.00 177.57 177.89 3hqn h ARG 68 N -0.06 0.67 -0.07 1.57 3.08 -1.33 -0.34 114.38 117.90 3hqn h ARG 68 Ca 0.02 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 3hqn h ARG 68 Cb 0.17 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3hqn h ARG 68 CO -0.00 0.59 -0.56 0.37 -1.07 0.00 0.00 179.97 179.30 3hqn h GLN 69 N 0.66 0.50 -0.65 0.04 4.15 -0.97 -1.76 115.11 117.07 3hqn h GLN 69 Ca 0.15 -0.44 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 3hqn h GLN 69 Cb 0.21 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 3hqn h GLN 69 CO -0.01 1.08 0.40 0.00 -1.93 0.00 0.00 178.83 178.37 3hqn h ALA 70 N 0.43 0.83 -0.44 3.38 0.00 -0.26 -1.45 119.26 121.75 3hqn h ALA 70 Ca -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3hqn h ALA 70 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hqn h ALA 70 CO 0.11 0.31 -0.18 0.00 0.00 0.00 0.00 179.25 179.49 3hqn h ALA 71 N 1.20 0.62 -0.69 0.00 0.00 -1.08 -1.85 119.26 117.46 3hqn h ALA 71 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hqn h ALA 71 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hqn h ALA 71 CO -0.04 0.57 0.37 0.00 0.00 0.00 0.00 179.25 180.15 3hqn h ALA 72 N 0.85 0.89 0.00 0.00 0.00 -1.16 -0.58 119.26 119.26 3hqn h ALA 72 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3hqn h ALA 72 Cb 0.75 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hqn h ALA 72 CO 0.06 0.41 -0.36 0.93 0.00 0.00 0.00 179.25 180.29 3hqn h GLU 73 N 0.95 0.00 -0.01 0.00 5.08 -1.13 -2.26 114.58 117.22 3hqn h GLU 73 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3hqn h GLU 73 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hqn h GLU 73 CO -0.04 0.36 -0.13 1.28 -1.00 0.00 0.00 179.01 179.48 3hqn n LEU 74 N -4.06 1.30 -0.83 1.33 4.77 -0.71 -4.97 117.00 113.84 3hqn n LEU 74 Ca -0.02 -0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 55.49 3hqn n LEU 74 Cb 0.40 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3hqn n LEU 74 CO 0.38 0.23 -0.09 0.61 -1.33 0.00 0.00 177.39 177.19 3hqn n GLY 75 N 1.26 0.15 3.38 -0.72 0.00 -0.35 -5.05 105.19 103.86 3hqn n GLY 75 Ca 0.15 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 3hqn n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqn s VAL 76 N -2.36 1.21 -0.23 1.61 -7.23 -0.45 -5.03 120.40 107.92 3hqn s VAL 76 Ca 0.00 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 3hqn s VAL 76 Cb 0.00 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 3hqn s VAL 76 CO 0.00 -0.24 -0.01 0.20 -0.31 0.00 0.00 175.10 174.74 3hqn s ASN 77 N -3.38 4.53 -0.11 4.85 0.01 -1.26 -4.37 114.94 115.21 3hqn s ASN 77 Ca 0.31 -0.34 0.03 0.00 -0.71 0.00 0.00 52.86 52.15 3hqn s ASN 77 Cb 0.06 -1.79 -0.00 0.00 0.41 0.00 0.00 41.25 39.93 3hqn s ASN 77 CO 0.11 -0.02 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.83 3hqn s ILE 78 N 1.51 2.19 0.56 0.60 -1.09 -1.26 -4.81 121.20 118.89 3hqn s ILE 78 Ca 0.06 -0.97 -0.18 0.00 -2.23 0.00 0.00 60.65 57.33 3hqn s ILE 78 Cb -0.14 -1.85 -0.05 0.00 -1.58 0.00 0.00 42.46 38.83 3hqn s ILE 78 CO -0.01 0.55 1.07 0.00 -1.23 0.00 0.00 174.94 175.32 3hqn s ALA 79 N 0.42 2.75 -0.13 9.38 0.00 -0.91 -4.91 121.76 128.36 3hqn s ALA 79 Ca -0.16 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3hqn s ALA 79 Cb -0.17 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3hqn s ALA 79 CO 0.07 -0.68 -0.18 0.42 0.00 0.00 0.00 175.76 175.39 3hqn s ILE 80 N -2.17 1.74 -0.09 0.00 1.01 -1.26 -0.75 121.20 119.68 3hqn s ILE 80 Ca 0.67 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3hqn s ILE 80 Cb -0.18 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 3hqn s ILE 80 CO 0.30 0.49 -0.16 0.00 0.00 0.00 0.00 174.94 175.57 3hqn s ALA 81 N 1.01 2.53 -0.35 9.38 0.00 -0.21 -0.91 121.76 133.21 3hqn s ALA 81 Ca -0.05 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 3hqn s ALA 81 Cb -0.15 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.96 3hqn s ALA 81 CO -0.04 0.37 0.19 -1.17 0.00 0.00 0.00 175.76 175.12 3hqn s LEU 82 N -0.05 4.47 -0.40 0.00 0.20 -0.70 -1.26 118.68 120.93 3hqn s LEU 82 Ca -0.04 -0.75 -0.16 0.00 0.69 0.00 0.00 54.13 53.87 3hqn s LEU 82 Cb -0.14 -2.03 0.01 0.00 -0.43 0.00 0.00 46.19 43.60 3hqn s LEU 82 CO 0.04 -0.30 0.35 -0.62 -0.29 0.00 0.00 176.35 175.53 3hqn s ASP 83 N 1.60 6.14 0.50 3.68 -1.08 -0.38 -1.00 116.67 126.13 3hqn s ASP 83 Ca 0.04 -0.71 -0.20 0.00 -0.52 0.00 0.00 52.55 51.16 3hqn s ASP 83 Cb -0.18 -2.19 -0.08 0.00 -1.46 0.00 0.00 42.92 39.02 3hqn s ASP 83 CO 0.07 -0.47 1.07 0.42 0.52 0.00 0.00 175.17 176.79 3hqn s THR 84 N 1.89 3.55 0.15 1.71 -4.23 -0.62 -1.10 115.64 116.99 3hqn s THR 84 Ca 0.08 0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 61.45 3hqn s THR 84 Cb -0.18 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.29 3hqn s THR 84 CO 0.12 -0.18 1.71 0.50 -0.54 0.00 0.00 174.62 176.22 3hqn h LYS 85 N 1.53 0.76 0.00 3.99 3.64 -1.93 -3.41 116.57 121.16 3hqn h LYS 85 Ca -0.50 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 3hqn h LYS 85 Cb 1.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3hqn h LYS 85 CO 0.59 0.67 0.00 0.41 -2.27 0.00 0.00 179.45 178.85 3hqn n GLY 86 N -0.79 -1.81 3.76 5.01 0.00 -1.26 -4.88 105.19 105.22 3hqn n GLY 86 Ca 0.02 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 3hqn n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hqn s PRO 87 N -2.11 3.57 0.03 1.61 0.04 -1.26 -4.82 135.00 132.06 3hqn s PRO 87 Ca 0.00 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.25 3hqn s PRO 87 Cb 0.00 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 3hqn s PRO 87 CO 0.00 -0.83 -0.07 -1.21 0.04 0.00 0.00 177.00 174.93 3hqn s GLU 88 N -2.60 0.51 -0.22 4.56 2.02 -1.26 -5.01 118.70 116.70 3hqn s GLU 88 Ca 0.64 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.98 3hqn s GLU 88 Cb -0.39 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.45 3hqn s GLU 88 CO 0.48 0.08 0.09 0.42 0.02 0.00 0.00 175.26 176.35 3hqn s ILE 89 N -0.95 4.82 0.07 -1.63 1.01 -1.26 -4.95 121.20 118.31 3hqn s ILE 89 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.63 3hqn s ILE 89 Cb -0.07 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 3hqn s ILE 89 CO 0.00 0.39 -0.14 -0.13 0.00 0.00 0.00 174.94 175.07 3hqn s ARG 90 N 0.92 0.81 0.96 2.79 0.52 -1.26 -1.00 118.95 122.69 3hqn s ARG 90 Ca 0.05 -0.97 -0.12 0.00 -0.52 0.00 0.00 55.73 54.17 3hqn s ARG 90 Cb -0.14 -0.78 0.16 0.00 0.52 0.00 0.00 34.95 34.72 3hqn s ARG 90 CO 0.03 0.17 1.09 0.95 0.02 0.00 0.00 175.30 177.56 3hqn s THR 91 N -1.39 2.28 0.00 0.02 -4.23 -0.01 -0.37 115.64 111.95 3hqn s THR 91 Ca -0.02 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 3hqn s THR 91 Cb -0.09 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3hqn s THR 91 CO 0.02 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3hqn n GLY 92 N -1.18 0.09 3.86 3.99 0.00 0.62 -4.10 105.19 108.48 3hqn n GLY 92 Ca 0.06 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 3hqn n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hqn s GLN 93 N 0.77 3.89 0.09 1.61 -0.21 0.49 -1.33 119.66 124.98 3hqn s GLN 93 Ca 0.00 0.58 0.05 0.00 0.02 0.00 0.00 55.36 56.01 3hqn s GLN 93 Cb 0.00 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 3hqn s GLN 93 CO 0.00 0.05 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.13 3hqn s PHE 94 N -2.19 2.91 0.32 0.91 0.08 -1.26 -1.80 117.98 116.96 3hqn s PHE 94 Ca 0.53 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 3hqn s PHE 94 Cb -0.10 -1.52 -0.11 0.00 -0.57 0.00 0.00 43.02 40.73 3hqn s PHE 94 CO 0.24 0.46 1.44 0.08 -0.10 0.00 0.00 175.22 177.34 3hqn s VAL 95 N -1.26 2.37 -0.25 -0.44 1.01 -0.55 -1.78 120.40 119.50 3hqn s VAL 95 Ca 0.24 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3hqn s VAL 95 Cb -0.11 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3hqn s VAL 95 CO 0.16 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3hqn n GLY 96 N 1.19 0.52 3.63 4.51 0.00 -1.26 -3.58 105.19 110.20 3hqn n GLY 96 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hqn n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqn n GLY 97 N -1.75 2.93 3.27 -0.02 0.00 -0.73 -4.95 105.19 103.94 3hqn n GLY 97 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3hqn n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hqn s ASP 98 N -2.18 0.14 -0.24 1.61 2.15 -1.23 -3.17 116.67 113.74 3hqn s ASP 98 Ca 0.00 -1.00 -0.11 0.00 0.43 0.00 0.00 52.55 51.87 3hqn s ASP 98 Cb 0.00 0.38 0.09 0.00 -0.30 0.00 0.00 42.92 43.10 3hqn s ASP 98 CO 0.00 -0.83 0.55 0.00 -0.17 0.00 0.00 175.17 174.72 3hqn s ALA 99 N -4.00 -1.56 -0.70 3.66 0.00 -0.73 -4.42 121.76 114.01 3hqn s ALA 99 Ca 0.20 1.98 -0.19 0.00 0.00 0.00 0.00 51.96 53.96 3hqn s ALA 99 Cb 0.05 -1.38 0.12 0.00 0.00 0.00 0.00 23.12 21.91 3hqn s ALA 99 CO 0.01 -0.59 0.82 0.08 0.00 0.00 0.00 175.76 176.08 3hqn s VAL 100 N 2.15 4.86 -0.37 0.00 1.01 -1.26 -1.99 120.40 124.81 3hqn s VAL 100 Ca -0.07 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.43 3hqn s VAL 100 Cb -0.09 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.73 3hqn s VAL 100 CO -0.16 -1.22 0.81 -0.04 0.00 0.00 0.00 175.10 174.48 3hqn s MET 101 N 2.48 3.75 0.10 2.72 -1.94 -0.97 -4.93 119.30 120.51 3hqn s MET 101 Ca 0.18 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 3hqn s MET 101 Cb -0.18 -3.81 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 3hqn s MET 101 CO 0.01 -0.88 0.25 -1.21 -0.01 0.00 0.00 175.02 173.18 3hqn s GLU 102 N 3.18 3.45 0.28 2.03 2.02 -1.26 -1.03 118.70 127.38 3hqn s GLU 102 Ca 0.32 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.56 3hqn s GLU 102 Cb -0.13 -3.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.00 3hqn s GLU 102 CO 0.17 0.57 1.33 0.50 0.02 0.00 0.00 175.26 177.85 3hqn s ARG 103 N -2.76 4.35 0.00 1.61 3.52 -1.26 -3.00 118.95 121.42 3hqn s ARG 103 Ca 0.35 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 3hqn s ARG 103 Cb -0.12 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3hqn s ARG 103 CO 0.28 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 3hqn n GLY 104 N 1.46 3.04 3.73 8.12 0.00 0.29 -4.99 105.19 116.84 3hqn n GLY 104 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3hqn n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqn s ALA 105 N -1.96 2.27 -0.14 4.61 0.00 -1.16 -4.69 121.76 120.68 3hqn s ALA 105 Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3hqn s ALA 105 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3hqn s ALA 105 CO 0.00 -1.66 0.24 0.99 0.00 0.00 0.00 175.76 175.33 3hqn s THR 106 N -1.78 5.34 0.21 0.00 2.01 -1.26 -0.69 115.64 119.46 3hqn s THR 106 Ca 0.77 0.43 0.01 0.00 0.31 0.00 0.00 61.69 63.20 3hqn s THR 106 Cb -0.31 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3hqn s THR 106 CO 0.42 0.48 0.08 0.00 -0.69 0.00 0.00 174.62 174.90 3hqn s TYR 108 N -3.86 1.99 -0.14 0.00 1.51 0.26 -0.47 117.35 116.63 3hqn s TYR 108 Ca 0.33 -0.88 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 3hqn s TYR 108 Cb 0.07 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 3hqn s TYR 108 CO 0.10 -0.43 -0.09 0.14 -1.11 0.00 0.00 175.55 174.15 3hqn s VAL 109 N 0.81 3.34 0.08 0.71 -7.23 -0.06 -1.49 120.40 116.56 3hqn s VAL 109 Ca -0.10 -0.55 0.06 0.00 -1.81 0.00 0.00 61.98 59.57 3hqn s VAL 109 Cb -0.16 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3hqn s VAL 109 CO 0.01 0.51 -0.16 0.28 -0.31 0.00 0.00 175.10 175.43 3hqn s THR 110 N 0.44 1.32 -1.99 5.32 -1.32 0.46 -0.12 115.64 119.74 3hqn s THR 110 Ca -0.08 -1.41 0.22 0.00 -1.21 0.00 0.00 61.69 59.22 3hqn s THR 110 Cb -0.15 -1.25 0.58 0.00 -1.51 0.00 0.00 72.50 70.16 3hqn s THR 110 CO 0.04 -0.19 1.49 0.35 -2.21 0.00 0.00 174.62 174.11 3hqn n THR 111 N 1.17 0.90 -1.86 5.08 -2.24 0.30 -1.71 114.28 115.91 3hqn n THR 111 Ca -0.20 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.20 3hqn n THR 111 Cb 0.54 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3hqn n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqn s ASP 112 N -1.09 6.30 0.54 3.42 3.68 -1.26 -4.88 116.67 123.37 3hqn s ASP 112 Ca 0.45 2.14 0.32 0.00 2.13 0.00 0.00 52.55 57.59 3hqn s ASP 112 Cb 0.24 -2.53 1.35 0.00 -1.45 0.00 0.00 42.92 40.53 3hqn s ASP 112 CO 0.32 -1.25 1.98 1.55 0.13 0.00 0.00 175.17 177.90 3hqn h PRO 113 N 11.20 0.00 -1.03 4.34 0.13 -1.97 -2.27 132.00 142.40 3hqn h PRO 113 Ca -0.41 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.02 3hqn h PRO 113 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3hqn h PRO 113 CO 0.96 0.04 1.01 0.00 -0.23 0.00 0.00 178.00 179.78 3hqn h ALA 114 N 1.96 2.90 -0.42 -0.56 0.00 -2.01 -2.37 119.26 118.77 3hqn h ALA 114 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hqn h ALA 114 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hqn h ALA 114 CO 0.00 -1.54 0.00 1.19 0.00 0.00 0.00 179.25 178.90 3hqn n PHE 115 N -3.56 0.55 0.23 0.00 3.72 -0.85 -4.59 117.46 112.95 3hqn n PHE 115 Ca 0.23 -0.27 0.08 0.00 -0.05 0.00 0.00 57.45 57.44 3hqn n PHE 115 Cb 1.34 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 40.43 3hqn n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hqn h ALA 116 N 4.32 1.33 -0.07 4.37 0.00 -1.63 -2.82 119.26 124.76 3hqn h ALA 116 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hqn h ALA 116 Cb 0.85 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hqn h ALA 116 CO 0.00 0.27 -0.00 -0.40 0.00 0.00 0.00 179.25 179.12 3hqn n ASP 117 N -3.82 2.74 -2.57 0.00 3.85 -1.26 -0.38 116.55 115.11 3hqn n ASP 117 Ca -0.02 -3.08 -0.01 0.00 -0.71 0.00 0.00 54.79 50.97 3hqn n ASP 117 Cb 0.31 -0.46 0.08 0.00 -1.35 0.00 0.00 41.12 39.71 3hqn n ASP 117 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 3hqn n LYS 118 N -1.20 1.35 -1.12 0.11 2.85 -1.07 -4.75 118.16 114.32 3hqn n LYS 118 Ca 0.17 -2.02 -0.29 0.00 -1.05 0.00 0.00 58.31 55.12 3hqn n LYS 118 Cb 0.71 -0.28 0.16 0.00 -0.65 0.00 0.00 35.03 34.96 3hqn n LYS 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqn s GLY 119 N -2.08 1.60 0.31 2.58 0.00 -0.75 -4.80 107.32 104.18 3hqn s GLY 119 Ca 0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 3hqn s GLY 119 CO -0.09 0.40 0.57 -0.51 0.00 0.00 0.00 173.10 173.46 3hqn s THR 120 N -2.90 0.00 0.59 0.90 -4.23 -0.39 -1.48 115.64 108.12 3hqn s THR 120 Ca 0.65 -1.33 0.28 0.00 -1.18 0.00 0.00 61.69 60.10 3hqn s THR 120 Cb -0.19 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.56 3hqn s THR 120 CO 0.58 0.00 2.06 0.07 -0.54 0.00 0.00 174.62 176.79 3hqn h LYS 121 N 2.13 0.00 -0.06 3.99 2.10 -1.91 -2.42 116.57 120.40 3hqn h LYS 121 Ca -0.27 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.26 3hqn h LYS 121 Cb 1.25 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3hqn h LYS 121 CO 0.36 0.00 -0.42 -0.44 -2.00 0.00 0.00 179.45 176.96 3hqn h ASP 122 N 0.00 0.47 -2.90 7.07 3.32 -1.92 -3.42 116.42 119.03 3hqn h ASP 122 Ca 0.11 -0.68 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 3hqn h ASP 122 Cb 0.61 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 39.80 3hqn h ASP 122 CO -0.00 1.07 -0.08 -0.75 -1.72 0.00 0.00 179.24 177.76 3hqn s LYS 123 N -3.53 0.61 0.24 3.56 2.20 -0.91 -0.58 119.74 121.33 3hqn s LYS 123 Ca -0.14 1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 56.58 3hqn s LYS 123 Cb 0.04 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 3hqn s LYS 123 CO 0.79 -0.16 0.30 -0.59 -0.36 0.00 0.00 175.35 175.33 3hqn s PHE 124 N 1.80 0.90 -0.09 4.03 -0.71 -0.55 -1.27 117.98 122.09 3hqn s PHE 124 Ca -0.09 -1.16 -0.10 0.00 -1.04 0.00 0.00 56.93 54.55 3hqn s PHE 124 Cb -0.07 -0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.45 3hqn s PHE 124 CO -0.18 -0.84 0.22 -0.47 -1.34 0.00 0.00 175.22 172.61 3hqn s TYR 125 N -3.94 3.62 -0.10 3.49 5.04 -1.26 -0.40 117.35 123.80 3hqn s TYR 125 Ca 0.32 0.65 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 3hqn s TYR 125 Cb 0.03 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.27 3hqn s TYR 125 CO 0.13 0.67 -0.19 0.42 -1.34 0.00 0.00 175.55 175.24 3hqn s ILE 126 N -0.91 2.53 -1.49 3.14 1.01 -0.69 -0.28 121.20 124.50 3hqn s ILE 126 Ca 0.17 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 60.02 3hqn s ILE 126 Cb -0.13 -2.00 0.23 0.00 0.01 0.00 0.00 42.46 40.56 3hqn s ILE 126 CO 0.06 0.55 1.06 -0.90 0.00 0.00 0.00 174.94 175.71 3hqn n ASP 127 N 3.36 1.78 -4.38 3.58 5.68 0.50 -4.37 116.55 122.71 3hqn n ASP 127 Ca -0.18 -2.12 -0.45 0.00 -0.50 0.00 0.00 54.79 51.54 3hqn n ASP 127 Cb 0.53 -0.32 -0.07 0.00 -1.14 0.00 0.00 41.12 40.11 3hqn n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hqn s TYR 128 N -1.63 3.24 0.49 2.11 5.04 -1.26 -4.92 117.35 120.41 3hqn s TYR 128 Ca 0.17 -0.94 0.32 0.00 -2.44 0.00 0.00 57.07 54.17 3hqn s TYR 128 Cb 0.10 -3.24 1.74 0.00 0.35 0.00 0.00 41.96 40.91 3hqn s TYR 128 CO 0.08 -0.83 2.18 1.96 -1.34 0.00 0.00 175.55 177.61 3hqn h GLN 129 N 8.78 0.00 -0.37 4.97 1.08 -1.92 0.12 115.11 127.77 3hqn h GLN 129 Ca -0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3hqn h GLN 129 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 3hqn h GLN 129 CO 0.90 0.05 0.00 0.09 -0.95 0.00 0.00 178.83 178.92 3hqn n ASN 130 N -3.56 1.78 -0.19 1.46 3.02 -1.26 -4.57 115.26 111.94 3hqn n ASN 130 Ca -0.02 -2.05 -0.02 0.00 -0.03 0.00 0.00 54.58 52.46 3hqn n ASN 130 Cb 0.17 -0.25 0.05 0.00 -0.61 0.00 0.00 39.78 39.14 3hqn n ASN 130 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hqn h LEU 131 N 1.76 -0.55 -0.90 3.41 5.85 -1.15 -2.52 115.31 121.21 3hqn h LEU 131 Ca 0.00 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3hqn h LEU 131 Cb 0.49 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3hqn h LEU 131 CO 0.02 -0.19 0.21 0.28 -0.34 0.00 0.00 178.44 178.42 3hqn h SER 132 N -0.01 0.95 0.60 1.25 0.02 -1.85 -1.92 113.55 112.59 3hqn h SER 132 Ca 0.27 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3hqn h SER 132 Cb 0.42 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3hqn h SER 132 CO -0.59 0.88 -0.38 0.11 -1.14 0.00 0.00 176.83 175.71 3hqn h LYS 133 N 0.98 0.00 0.00 3.45 1.57 -1.79 -3.28 116.57 117.50 3hqn h LYS 133 Ca 0.22 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.80 3hqn h LYS 133 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3hqn h LYS 133 CO -0.01 0.38 -1.56 0.28 -0.57 0.00 0.00 179.45 177.97 3hqn n VAL 134 N -3.77 1.22 -3.94 0.50 0.31 -0.89 -4.88 118.33 106.88 3hqn n VAL 134 Ca -0.01 -0.71 -0.30 0.00 -0.01 0.00 0.00 64.34 63.30 3hqn n VAL 134 Cb 0.46 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.61 3hqn n VAL 134 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hqn s VAL 135 N -2.86 5.26 0.25 2.52 1.01 -0.77 -4.70 120.40 121.10 3hqn s VAL 135 Ca -0.04 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3hqn s VAL 135 Cb 0.09 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3hqn s VAL 135 CO 0.82 0.10 -0.11 -0.13 0.00 0.00 0.00 175.10 175.77 3hqn s ARG 136 N -2.62 1.47 0.06 2.72 0.52 -1.26 -4.87 118.95 114.97 3hqn s ARG 136 Ca 0.34 -1.70 -0.37 0.00 -0.52 0.00 0.00 55.73 53.48 3hqn s ARG 136 Cb -0.13 -1.21 -0.17 0.00 0.52 0.00 0.00 34.95 33.97 3hqn s ARG 136 CO 0.27 0.13 1.35 -2.30 0.02 0.00 0.00 175.30 174.78 3hqn n PRO 137 N -0.50 1.09 0.00 3.54 -0.02 -1.26 -1.85 135.00 135.99 3hqn n PRO 137 Ca -0.06 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3hqn n PRO 137 Cb 0.62 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3hqn n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqn n GLY 138 N 2.56 2.67 3.59 -1.23 0.00 0.18 -5.01 105.19 107.96 3hqn n GLY 138 Ca 0.19 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3hqn n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hqn n ASN 139 N 0.37 0.17 -4.74 1.61 3.02 -0.77 -4.67 115.26 110.24 3hqn n ASN 139 Ca 0.00 0.62 -0.30 0.00 -0.03 0.00 0.00 54.58 54.86 3hqn n ASN 139 Cb 0.00 -1.38 -0.07 0.00 -0.61 0.00 0.00 39.78 37.71 3hqn n ASN 139 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hqn s TYR 140 N -1.93 3.12 -0.08 3.10 2.02 -1.26 -1.15 117.35 121.17 3hqn s TYR 140 Ca 0.71 0.04 0.01 0.00 -0.37 0.00 0.00 57.07 57.46 3hqn s TYR 140 Cb -0.33 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 3hqn s TYR 140 CO 0.53 0.51 -0.09 0.42 -1.57 0.00 0.00 175.55 175.34 3hqn s ILE 141 N -1.35 0.98 -0.06 2.71 1.01 -0.10 -4.27 121.20 120.12 3hqn s ILE 141 Ca 0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 3hqn s ILE 141 Cb -0.12 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3hqn s ILE 141 CO 0.20 0.34 0.10 -0.31 0.00 0.00 0.00 174.94 175.27 3hqn s TYR 142 N 1.20 3.40 -0.00 3.97 2.02 -0.73 -1.38 117.35 125.84 3hqn s TYR 142 Ca -0.05 0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.95 3hqn s TYR 142 Cb -0.14 -1.83 -0.00 0.00 -0.40 0.00 0.00 41.96 39.59 3hqn s TYR 142 CO -0.02 0.61 0.06 0.42 -1.57 0.00 0.00 175.55 175.04 3hqn s ILE 143 N -1.10 0.07 -0.65 2.71 1.01 -0.47 -0.95 121.20 121.82 3hqn s ILE 143 Ca 0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 3hqn s ILE 143 Cb -0.12 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.09 3hqn s ILE 143 CO 0.09 -0.30 0.67 -0.67 0.00 0.00 0.00 174.94 174.73 3hqn n ASP 144 N 2.02 -7.71 -0.20 3.58 4.64 -0.87 -1.63 116.55 116.38 3hqn n ASP 144 Ca -0.20 0.08 -0.03 0.00 -1.38 0.00 0.00 54.79 53.26 3hqn n ASP 144 Cb 0.57 -5.16 -0.01 0.00 -1.04 0.00 0.00 41.12 35.48 3hqn n ASP 144 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3hqn n ASP 145 N -1.34 -4.72 0.00 1.67 8.00 -1.26 -0.20 116.55 118.69 3hqn n ASP 145 Ca 0.02 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3hqn n ASP 145 Cb 0.50 -2.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.14 3hqn n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqn n GLY 146 N -0.80 0.49 0.16 0.44 0.00 -1.22 -4.95 105.19 99.30 3hqn n GLY 146 Ca -0.03 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 3hqn n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hqn h ILE 147 N 0.00 1.34 -3.67 -0.61 2.04 -0.23 -3.42 117.51 112.97 3hqn h ILE 147 Ca 0.00 -2.37 -0.62 0.00 1.00 0.00 0.00 64.86 62.87 3hqn h ILE 147 Cb 0.00 2.72 -0.14 0.00 -0.74 0.00 0.00 36.82 38.65 3hqn h ILE 147 CO 0.00 0.71 -0.29 -0.22 0.00 0.00 0.00 178.15 178.35 3hqn s LEU 148 N -8.00 4.07 -0.31 1.44 2.96 -0.64 -4.96 118.68 113.24 3hqn s LEU 148 Ca -0.11 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3hqn s LEU 148 Cb 0.05 -2.38 0.05 0.00 0.50 0.00 0.00 46.19 44.41 3hqn s LEU 148 CO 0.90 -0.12 0.02 -0.63 -1.32 0.00 0.00 176.35 175.20 3hqn s ILE 149 N 1.75 3.10 0.08 6.68 1.01 -1.26 -1.37 121.20 131.19 3hqn s ILE 149 Ca 0.14 -1.38 -0.08 0.00 0.00 0.00 0.00 60.65 59.33 3hqn s ILE 149 Cb -0.15 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 3hqn s ILE 149 CO 0.09 -0.14 0.37 -0.76 0.00 0.00 0.00 174.94 174.51 3hqn s LEU 150 N 1.27 4.33 -0.11 2.97 1.43 -0.48 -1.27 118.68 126.81 3hqn s LEU 150 Ca -0.04 0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3hqn s LEU 150 Cb -0.20 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 3hqn s LEU 150 CO -0.01 0.16 -0.10 -1.58 0.23 0.00 0.00 176.35 175.05 3hqn s GLN 151 N -2.05 3.18 -0.06 1.70 0.74 0.03 -0.93 119.66 122.27 3hqn s GLN 151 Ca 0.34 -0.63 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 3hqn s GLN 151 Cb -0.13 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 3hqn s GLN 151 CO 0.19 0.37 1.27 0.08 -0.55 0.00 0.00 175.29 176.66 3hqn s VAL 152 N -0.05 4.10 -0.24 1.34 1.01 -0.30 -0.51 120.40 125.76 3hqn s VAL 152 Ca -0.01 1.43 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 3hqn s VAL 152 Cb -0.14 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 3hqn s VAL 152 CO 0.03 -0.03 -0.29 0.00 0.00 0.00 0.00 175.10 174.82 3hqn n GLN 153 N 5.52 0.54 -3.79 2.72 1.13 -0.41 -0.64 117.38 122.45 3hqn n GLN 153 Ca 0.12 0.20 -0.05 0.00 -1.94 0.00 0.00 57.00 55.33 3hqn n GLN 153 Cb 0.45 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.39 3hqn n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hqn s SER 154 N -6.95 -0.23 -0.64 1.08 1.04 -1.14 -4.64 113.70 102.22 3hqn s SER 154 Ca -0.34 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.39 3hqn s SER 154 Cb 0.12 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.92 3hqn s SER 154 CO 0.46 -1.11 0.92 -1.00 0.98 0.00 0.00 173.24 173.48 3hqn s HIS 155 N -3.60 2.73 0.17 5.02 3.76 -1.26 -0.75 115.29 121.36 3hqn s HIS 155 Ca 0.11 -0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 54.26 3hqn s HIS 155 Cb -0.04 -4.23 0.11 0.00 1.11 0.00 0.00 32.58 29.53 3hqn s HIS 155 CO 0.04 -1.58 1.71 1.49 -0.85 0.00 0.00 174.74 175.55 3hqn h GLU 156 N 9.49 0.13 0.00 1.40 4.57 -1.70 -3.47 114.58 125.00 3hqn h GLU 156 Ca -0.29 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3hqn h GLU 156 Cb 1.07 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3hqn h GLU 156 CO 1.16 0.09 0.00 -0.40 -1.18 0.00 0.00 179.01 178.68 3hqn n ASP 157 N -5.17 0.00 0.05 1.04 5.68 -0.97 -4.99 116.55 112.19 3hqn n ASP 157 Ca 0.03 -0.61 0.09 0.00 -0.50 0.00 0.00 54.79 53.80 3hqn n ASP 157 Cb 0.20 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.55 3hqn n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hqn n GLU 158 N 0.00 0.07 0.00 0.11 1.02 -1.26 -3.07 120.64 117.51 3hqn n GLU 158 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 3hqn n GLU 158 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3hqn n GLU 158 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hqn n GLN 159 N -1.77 -0.21 -4.13 3.49 6.02 -1.26 -4.84 117.38 114.68 3hqn n GLN 159 Ca 0.03 -0.53 -0.17 0.00 -0.01 0.00 0.00 57.00 56.32 3hqn n GLN 159 Cb 0.18 -0.88 -0.15 0.00 1.02 0.00 0.00 30.24 30.42 3hqn n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqn s THR 160 N -0.13 0.41 -0.13 5.09 2.01 -1.18 -0.54 115.64 121.17 3hqn s THR 160 Ca 0.00 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 3hqn s THR 160 Cb 0.00 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3hqn s THR 160 CO 0.00 0.15 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.21 3hqn s LEU 161 N 0.31 2.87 -0.07 4.42 1.43 0.82 -1.89 118.68 126.57 3hqn s LEU 161 Ca -0.03 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 3hqn s LEU 161 Cb -0.07 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3hqn s LEU 161 CO -0.00 0.18 0.95 -0.70 0.23 0.00 0.00 176.35 177.01 3hqn s GLU 162 N 0.26 4.47 0.12 1.70 2.12 0.07 -0.88 118.70 126.56 3hqn s GLU 162 Ca -0.07 1.32 0.10 0.00 0.36 0.00 0.00 54.97 56.68 3hqn s GLU 162 Cb -0.15 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 3hqn s GLU 162 CO 0.05 -0.18 -0.24 0.00 -0.54 0.00 0.00 175.26 174.35 3hqn s THR 164 N -1.16 4.83 -0.36 0.00 2.01 0.34 -1.83 115.64 119.47 3hqn s THR 164 Ca 0.11 1.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.99 3hqn s THR 164 Cb -0.10 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.57 3hqn s THR 164 CO 0.05 0.54 0.88 -0.69 -0.69 0.00 0.00 174.62 174.72 3hqn s VAL 165 N -0.97 4.63 -0.33 3.82 1.01 0.13 -0.79 120.40 127.91 3hqn s VAL 165 Ca 0.28 1.12 0.23 0.00 0.00 0.00 0.00 61.98 63.60 3hqn s VAL 165 Cb -0.19 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.03 3hqn s VAL 165 CO 0.17 -0.49 1.26 0.71 0.00 0.00 0.00 175.10 176.75 3hqn h THR 166 N 5.79 0.00 -2.77 3.92 1.35 -1.50 0.85 112.91 120.54 3hqn h THR 166 Ca -0.24 -0.97 -0.09 0.00 -0.55 0.00 0.00 66.41 64.57 3hqn h THR 166 Cb 1.08 1.66 -0.18 0.00 -1.73 0.00 0.00 68.15 68.98 3hqn h THR 166 CO 0.96 0.00 -0.08 0.54 -0.25 0.00 0.00 175.52 176.69 3hqn s ASN 167 N -5.61 -0.35 0.33 5.36 4.22 -1.25 -4.77 114.94 112.87 3hqn s ASN 167 Ca 0.03 0.21 -0.26 0.00 -2.14 0.00 0.00 52.86 50.69 3hqn s ASN 167 Cb 0.08 0.42 -0.09 0.00 1.28 0.00 0.00 41.25 42.94 3hqn s ASN 167 CO 0.74 -0.58 1.02 -0.44 -2.04 0.00 0.00 177.10 175.80 3hqn s SER 168 N -1.59 7.13 -0.30 3.54 0.01 -1.26 -4.50 113.70 116.73 3hqn s SER 168 Ca -0.09 2.03 -0.18 0.00 1.31 0.00 0.00 55.95 59.02 3hqn s SER 168 Cb -0.02 -2.60 0.21 0.00 0.21 0.00 0.00 66.02 63.82 3hqn s SER 168 CO 0.03 -0.23 1.30 -2.28 0.41 0.00 0.00 173.24 172.47 3hqn s HIS 169 N -1.48 -0.07 0.02 2.43 5.04 -0.19 -4.95 115.29 116.09 3hqn s HIS 169 Ca 0.51 0.14 -0.27 0.00 -1.54 0.00 0.00 55.06 53.90 3hqn s HIS 169 Cb -0.24 0.14 -0.04 0.00 0.04 0.00 0.00 32.58 32.47 3hqn s HIS 169 CO 0.30 -0.03 0.85 0.99 -2.34 0.00 0.00 174.74 174.51 3hqn s THR 170 N 0.83 4.80 -0.06 0.89 2.01 -1.26 -2.29 115.64 120.55 3hqn s THR 170 Ca -0.05 1.81 0.06 0.00 0.31 0.00 0.00 61.69 63.81 3hqn s THR 170 Cb -0.03 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 3hqn s THR 170 CO -0.11 0.27 -0.24 0.27 -0.69 0.00 0.00 174.62 174.12 3hqn s ILE 171 N 0.46 1.96 0.32 1.82 -4.36 -0.84 -4.96 121.20 115.60 3hqn s ILE 171 Ca 0.44 -1.01 0.01 0.00 -0.26 0.00 0.00 60.65 59.84 3hqn s ILE 171 Cb -0.21 -1.67 0.06 0.00 1.25 0.00 0.00 42.46 41.90 3hqn s ILE 171 CO 0.25 0.55 0.44 -1.54 0.24 0.00 0.00 174.94 174.87 3hqn n SER 172 N 3.06 0.75 -4.69 4.36 3.41 -1.26 -1.77 113.62 117.48 3hqn n SER 172 Ca -0.18 -1.59 -0.44 0.00 -0.26 0.00 0.00 58.87 56.40 3hqn n SER 172 Cb 0.52 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3hqn n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hqn n ASP 173 N -2.87 2.84 -3.27 4.04 9.92 -1.19 -4.05 116.55 121.97 3hqn n ASP 173 Ca 0.08 1.17 -0.18 0.00 -0.53 0.00 0.00 54.79 55.33 3hqn n ASP 173 Cb 0.28 -1.46 0.08 0.00 -0.64 0.00 0.00 41.12 39.38 3hqn n ASP 173 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hqn n ARG 174 N 1.52 -6.50 -2.12 -1.24 1.74 -0.44 -5.00 116.66 104.63 3hqn n ARG 174 Ca 0.09 0.77 -0.32 0.00 -0.77 0.00 0.00 57.85 57.62 3hqn n ARG 174 Cb 0.34 -5.60 -0.00 0.00 -1.02 0.00 0.00 32.46 26.17 3hqn n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hqn s ARG 175 N -5.56 3.51 0.45 5.56 3.00 -1.26 -4.61 118.95 120.04 3hqn s ARG 175 Ca 0.17 1.09 -0.21 0.00 0.00 0.00 0.00 55.73 56.78 3hqn s ARG 175 Cb -0.08 -2.07 -0.10 0.00 0.00 0.00 0.00 34.95 32.71 3hqn s ARG 175 CO 0.67 -0.64 1.00 0.20 0.00 0.00 0.00 175.30 176.53 3hqn s GLY 176 N -3.00 2.50 0.18 -3.53 0.00 -1.26 -0.83 107.32 101.37 3hqn s GLY 176 Ca 0.61 0.54 0.10 0.00 0.00 0.00 0.00 44.72 45.97 3hqn s GLY 176 CO 0.37 0.86 -0.22 -1.34 0.00 0.00 0.00 173.10 172.77 3hqn s VAL 177 N -2.01 2.14 0.31 1.40 -7.23 -0.17 -2.05 120.40 112.79 3hqn s VAL 177 Ca 0.64 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 3hqn s VAL 177 Cb -0.14 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 3hqn s VAL 177 CO 0.18 -0.18 0.00 0.20 -0.31 0.00 0.00 175.10 175.00 3hqn s ASN 178 N -2.62 2.68 -0.42 4.85 0.01 -0.13 -4.59 114.94 114.73 3hqn s ASN 178 Ca 0.18 -1.30 0.05 0.00 -0.71 0.00 0.00 52.86 51.08 3hqn s ASN 178 Cb -0.07 -0.15 0.19 0.00 0.41 0.00 0.00 41.25 41.62 3hqn s ASN 178 CO 0.08 -0.48 0.38 0.18 -1.51 0.00 0.00 177.10 175.76 3hqn n LEU 179 N -0.67 -0.20 0.25 0.60 4.32 -1.26 -1.76 117.00 118.27 3hqn n LEU 179 Ca -0.04 -4.47 0.12 0.00 -0.02 0.00 0.00 56.01 51.60 3hqn n LEU 179 Cb 0.65 0.51 0.65 0.00 -1.62 0.00 0.00 43.42 43.61 3hqn n LEU 179 CO 0.42 1.90 0.92 1.55 -1.22 0.00 0.00 177.39 180.96 3hqn h PRO 180 N 5.30 0.00 -0.67 3.23 0.13 -1.92 0.07 132.00 138.14 3hqn h PRO 180 Ca 0.23 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.06 3hqn h PRO 180 Cb 0.90 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.85 3hqn h PRO 180 CO 0.40 0.16 0.28 0.41 -0.23 0.00 0.00 178.00 179.02 3hqn n GLY 181 N -0.45 4.41 3.01 1.56 0.00 -1.26 -4.88 105.19 107.58 3hqn n GLY 181 Ca -0.01 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3hqn n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqn s ASP 183 N 0.14 6.17 0.12 0.00 1.01 -1.26 -4.88 116.67 117.97 3hqn s ASP 183 Ca -0.02 -0.80 -0.30 0.00 0.71 0.00 0.00 52.55 52.13 3hqn s ASP 183 Cb -0.08 -2.47 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 3hqn s ASP 183 CO 0.00 -1.59 1.02 -0.69 0.21 0.00 0.00 175.17 174.12 3hqn s VAL 184 N 4.69 4.33 -0.16 -1.27 1.01 -1.26 -4.95 120.40 122.79 3hqn s VAL 184 Ca 0.27 1.91 0.16 0.00 0.00 0.00 0.00 61.98 64.32 3hqn s VAL 184 Cb -0.13 -4.22 0.33 0.00 0.00 0.00 0.00 36.38 32.36 3hqn s VAL 184 CO 0.12 0.28 1.17 -0.90 0.00 0.00 0.00 175.10 175.77 3hqn n ASP 185 N 2.84 2.07 -4.39 3.32 3.85 -1.26 -5.03 116.55 117.94 3hqn n ASP 185 Ca 0.03 -3.36 -0.37 0.00 -0.71 0.00 0.00 54.79 50.38 3hqn n ASP 185 Cb 0.48 -0.46 0.04 0.00 -1.35 0.00 0.00 41.12 39.84 3hqn n ASP 185 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3hqn n LEU 186 N -1.28 -0.49 -4.72 -2.12 4.77 -1.26 -4.94 117.00 106.95 3hqn n LEU 186 Ca 0.17 0.63 -0.31 0.00 -0.03 0.00 0.00 56.01 56.47 3hqn n LEU 186 Cb 0.66 -1.10 0.13 0.00 -2.33 0.00 0.00 43.42 40.78 3hqn n LEU 186 CO -0.01 -3.60 0.69 -2.84 -1.33 0.00 0.00 177.39 170.30 3hqn s PRO 187 N -2.11 1.66 0.19 3.23 0.02 -1.26 -4.91 135.00 131.81 3hqn s PRO 187 Ca 0.63 1.28 -0.06 0.00 0.02 0.00 0.00 61.00 62.87 3hqn s PRO 187 Cb -0.40 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.40 3hqn s PRO 187 CO 0.60 -2.10 1.58 0.00 -0.33 0.00 0.00 177.00 176.75 3hqn h ALA 188 N -1.47 0.78 -3.19 -1.55 0.00 -1.92 -3.42 119.26 108.49 3hqn h ALA 188 Ca -0.44 -0.40 -0.60 0.00 0.00 0.00 0.00 54.91 53.47 3hqn h ALA 188 Cb 1.25 -0.15 -0.35 0.00 0.00 0.00 0.00 17.79 18.54 3hqn h ALA 188 CO 0.48 0.65 -0.84 0.14 0.00 0.00 0.00 179.25 179.69 3hqn s VAL 189 N -4.54 1.56 1.11 0.00 -7.23 -1.26 -4.61 120.40 105.43 3hqn s VAL 189 Ca -0.10 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 3hqn s VAL 189 Cb 0.12 -1.44 0.25 0.00 0.56 0.00 0.00 36.38 35.87 3hqn s VAL 189 CO 0.85 0.45 1.06 -0.94 -0.31 0.00 0.00 175.10 176.22 3hqn s SER 190 N 1.22 1.57 0.26 4.85 1.04 -1.26 -4.84 113.70 116.54 3hqn s SER 190 Ca -0.01 1.20 -0.05 0.00 0.48 0.00 0.00 55.95 57.57 3hqn s SER 190 Cb -0.14 -1.86 0.30 0.00 0.10 0.00 0.00 66.02 64.41 3hqn s SER 190 CO -0.06 -3.79 1.89 0.00 0.98 0.00 0.00 173.24 172.26 3hqn h ALA 191 N -2.34 1.25 -0.49 5.32 0.00 -2.00 -1.99 119.26 119.01 3hqn h ALA 191 Ca -0.56 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 3hqn h ALA 191 Cb 1.33 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hqn h ALA 191 CO 0.52 0.63 0.06 -0.22 0.00 0.00 0.00 179.25 180.23 3hqn h LYS 192 N 1.20 0.83 -0.85 0.00 3.64 -1.98 -2.73 116.57 116.68 3hqn h LYS 192 Ca 0.31 -0.24 0.16 0.00 -1.27 0.00 0.00 60.65 59.62 3hqn h LYS 192 Cb -0.01 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.61 3hqn h LYS 192 CO -0.05 0.84 0.41 -0.44 -2.27 0.00 0.00 179.45 177.94 3hqn h ASP 193 N 0.70 0.45 -0.66 4.20 3.32 -1.89 0.12 116.42 122.67 3hqn h ASP 193 Ca 0.15 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3hqn h ASP 193 Cb 0.43 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3hqn h ASP 193 CO 0.01 0.15 0.17 -0.09 -1.72 0.00 0.00 179.24 177.77 3hqn h ARG 194 N 0.55 1.06 -0.21 3.56 2.43 -1.06 0.34 114.38 121.05 3hqn h ARG 194 Ca 0.48 -0.24 -0.20 0.00 -0.81 0.00 0.00 59.98 59.21 3hqn h ARG 194 Cb 0.75 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3hqn h ARG 194 CO -0.41 0.93 -0.67 0.28 -1.51 0.00 0.00 179.97 178.59 3hqn h VAL 195 N 1.01 1.28 -0.22 0.20 2.07 -1.25 -2.69 116.25 116.65 3hqn h VAL 195 Ca 0.21 -1.87 -0.15 0.00 0.82 0.00 0.00 66.70 65.71 3hqn h VAL 195 Cb 0.34 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3hqn h VAL 195 CO -0.00 0.60 -0.50 0.44 0.02 0.00 0.00 177.57 178.13 3hqn h ASP 196 N 0.58 0.65 -0.04 0.57 3.32 -0.09 -2.29 116.42 119.14 3hqn h ASP 196 Ca -0.02 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.56 3hqn h ASP 196 Cb 1.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3hqn h ASP 196 CO 0.14 1.04 -0.44 -0.07 -1.72 0.00 0.00 179.24 178.19 3hqn h LEU 197 N 0.47 0.61 -0.86 1.55 3.38 -0.36 -1.32 115.31 118.79 3hqn h LEU 197 Ca 0.02 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 3hqn h LEU 197 Cb 1.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3hqn h LEU 197 CO 0.10 0.97 -0.02 -0.61 0.09 0.00 0.00 178.44 178.97 3hqn h GLN 198 N 0.46 0.83 -0.44 1.13 5.75 -1.32 -1.94 115.11 119.59 3hqn h GLN 198 Ca 0.03 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.26 3hqn h GLN 198 Cb 0.95 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 3hqn h GLN 198 CO 0.09 0.85 0.13 0.35 -2.65 0.00 0.00 178.83 177.60 3hqn h PHE 199 N 0.77 0.72 -0.94 3.99 3.57 -1.08 -1.72 116.94 122.27 3hqn h PHE 199 Ca 0.15 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.64 3hqn h PHE 199 Cb 0.49 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 3hqn h PHE 199 CO 0.03 0.66 0.59 0.78 -2.23 0.00 0.00 178.31 178.14 3hqn h GLY 200 N 0.58 1.43 0.74 2.40 0.00 -0.90 -0.68 103.07 106.64 3hqn h GLY 200 Ca 0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hqn h GLY 200 CO -0.00 0.30 -0.01 -2.08 0.00 0.00 0.00 176.54 174.74 3hqn h VAL 201 N 1.07 1.17 -0.98 4.60 2.07 -1.09 -1.14 116.25 121.95 3hqn h VAL 201 Ca 0.41 -0.59 0.15 0.00 0.82 0.00 0.00 66.70 67.48 3hqn h VAL 201 Cb 0.18 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3hqn h VAL 201 CO -0.18 0.15 0.62 -0.33 0.02 0.00 0.00 177.57 177.85 3hqn h GLU 202 N -0.29 0.84 -0.16 1.57 5.08 -1.09 -1.56 114.58 118.98 3hqn h GLU 202 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hqn h GLU 202 Cb 0.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hqn h GLU 202 CO 0.01 0.56 0.00 1.04 -1.00 0.00 0.00 179.01 179.61 3hqn n GLN 203 N -4.65 1.73 -3.19 2.33 1.13 -0.28 -4.97 117.38 109.49 3hqn n GLN 203 Ca 0.20 -1.09 -0.15 0.00 -1.94 0.00 0.00 57.00 54.01 3hqn n GLN 203 Cb 0.45 -1.40 0.05 0.00 0.11 0.00 0.00 30.24 29.45 3hqn n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hqn n GLY 204 N 1.14 -0.04 3.73 1.08 0.00 -0.51 -5.01 105.19 105.57 3hqn n GLY 204 Ca 0.16 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3hqn n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqn s VAL 205 N -3.22 2.76 -0.07 1.61 -7.23 -0.72 -4.97 120.40 108.56 3hqn s VAL 205 Ca 0.33 0.27 0.14 0.00 -1.81 0.00 0.00 61.98 60.91 3hqn s VAL 205 Cb -0.15 -2.61 -0.19 0.00 0.56 0.00 0.00 36.38 33.99 3hqn s VAL 205 CO 0.48 -0.30 0.75 0.44 -0.31 0.00 0.00 175.10 176.16 3hqn h ASP 206 N -1.15 0.00 -5.02 4.85 3.32 -1.39 -3.46 116.42 113.57 3hqn h ASP 206 Ca -0.44 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 3hqn h ASP 206 Cb 1.25 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 3hqn h ASP 206 CO 0.48 0.85 -0.00 0.00 -1.72 0.00 0.00 179.24 178.85 3hqn s MET 207 N -2.72 0.98 -0.16 3.56 0.23 -1.17 -2.31 119.30 117.72 3hqn s MET 207 Ca -0.04 -0.18 -0.03 0.00 -1.03 0.00 0.00 55.69 54.41 3hqn s MET 207 Cb 0.08 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.81 3hqn s MET 207 CO 0.82 -0.34 -0.06 0.42 -2.03 0.00 0.00 175.02 173.83 3hqn s ILE 208 N -2.15 3.60 -0.53 3.16 -1.09 0.12 -1.73 121.20 122.59 3hqn s ILE 208 Ca -0.07 -0.46 -0.19 0.00 -2.23 0.00 0.00 60.65 57.71 3hqn s ILE 208 Cb -0.01 -2.57 0.07 0.00 -1.58 0.00 0.00 42.46 38.37 3hqn s ILE 208 CO 0.01 0.49 0.63 -0.36 -1.23 0.00 0.00 174.94 174.48 3hqn s PHE 209 N 0.52 3.05 -0.26 3.97 0.08 -0.17 -0.26 117.98 124.91 3hqn s PHE 209 Ca -0.05 -0.71 -0.19 0.00 0.12 0.00 0.00 56.93 56.10 3hqn s PHE 209 Cb -0.15 -3.66 -0.02 0.00 -0.57 0.00 0.00 43.02 38.62 3hqn s PHE 209 CO 0.03 -1.10 0.59 0.00 -0.10 0.00 0.00 175.22 174.64 3hqn s ALA 210 N 2.57 3.60 0.41 5.36 0.00 -0.41 -1.59 121.76 131.70 3hqn s ALA 210 Ca 0.13 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 3hqn s ALA 210 Cb -0.21 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 3hqn s ALA 210 CO 0.10 -0.78 1.14 -1.12 0.00 0.00 0.00 175.76 175.09 3hqn s SER 211 N 1.50 6.52 -1.29 0.00 0.01 -1.26 -0.28 113.70 118.89 3hqn s SER 211 Ca 0.24 2.27 -0.03 0.00 1.31 0.00 0.00 55.95 59.74 3hqn s SER 211 Cb -0.16 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.48 3hqn s SER 211 CO 0.09 -0.67 0.94 0.33 0.41 0.00 0.00 173.24 174.33 3hqn n PHE 212 N -0.04 -2.23 -2.62 2.43 7.35 -1.22 -4.84 117.46 116.29 3hqn n PHE 212 Ca 0.05 0.92 -0.42 0.00 -0.76 0.00 0.00 57.45 57.23 3hqn n PHE 212 Cb 0.47 -4.76 -0.03 0.00 0.35 0.00 0.00 39.48 35.52 3hqn n PHE 212 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3hqn s ILE 213 N -3.44 4.62 -0.07 -2.13 -1.09 -0.79 -4.90 121.20 113.39 3hqn s ILE 213 Ca 0.16 1.90 0.03 0.00 -2.23 0.00 0.00 60.65 60.51 3hqn s ILE 213 Cb -0.08 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 3hqn s ILE 213 CO 0.77 0.02 0.10 0.54 -1.23 0.00 0.00 174.94 175.13 3hqn n ARG 214 N 4.93 3.11 -3.48 2.79 1.74 -1.26 -4.05 116.66 120.43 3hqn n ARG 214 Ca 0.09 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.06 3hqn n ARG 214 Cb 0.48 -0.85 -0.02 0.00 -1.02 0.00 0.00 32.46 31.05 3hqn n ARG 214 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hqn s SER 215 N -1.80 -0.43 0.29 0.55 1.04 -1.26 -3.94 113.70 108.15 3hqn s SER 215 Ca 0.00 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 3hqn s SER 215 Cb 0.02 0.46 0.44 0.00 0.10 0.00 0.00 66.02 67.03 3hqn s SER 215 CO 0.12 -0.74 1.91 0.00 0.98 0.00 0.00 173.24 175.52 3hqn h ALA 216 N 2.00 1.34 0.00 5.32 0.00 -1.86 -2.34 119.26 123.71 3hqn h ALA 216 Ca -0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3hqn h ALA 216 Cb 1.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hqn h ALA 216 CO 0.33 0.53 -0.16 1.49 0.00 0.00 0.00 179.25 181.45 3hqn h GLU 217 N 0.97 0.00 0.00 0.00 4.81 -1.96 -2.04 114.58 116.36 3hqn h GLU 217 Ca 0.24 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3hqn h GLU 217 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3hqn h GLU 217 CO -0.04 0.16 -0.33 1.96 -0.73 0.00 0.00 179.01 180.04 3hqn h GLN 218 N 0.00 0.00 -0.38 1.92 4.20 -1.84 -1.45 115.11 117.56 3hqn h GLN 218 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3hqn h GLN 218 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3hqn h GLN 218 CO 0.02 0.33 -0.23 0.28 -0.67 0.00 0.00 178.83 178.55 3hqn h VAL 219 N 0.00 1.28 -0.65 -0.54 2.07 -1.36 -2.23 116.25 114.82 3hqn h VAL 219 Ca -0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 3hqn h VAL 219 Cb 0.82 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3hqn h VAL 219 CO 0.04 0.46 0.31 1.23 0.02 0.00 0.00 177.57 179.63 3hqn h GLY 220 N 0.64 0.99 1.01 2.17 0.00 -1.36 -1.47 103.07 105.05 3hqn h GLY 220 Ca 0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hqn h GLY 220 CO 0.07 0.45 0.47 -0.55 0.00 0.00 0.00 176.54 176.97 3hqn h ASP 221 N 0.92 0.94 -0.56 0.19 3.32 -0.97 0.13 116.42 120.38 3hqn h ASP 221 Ca 0.23 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3hqn h ASP 221 Cb 0.10 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3hqn h ASP 221 CO -0.03 0.73 0.36 0.58 -1.72 0.00 0.00 179.24 179.15 3hqn h VAL 222 N 1.07 1.11 -0.40 -1.35 2.07 -1.05 -0.31 116.25 117.38 3hqn h VAL 222 Ca 0.28 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3hqn h VAL 222 Cb -0.04 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3hqn h VAL 222 CO -0.05 0.13 0.13 -0.09 0.02 0.00 0.00 177.57 177.71 3hqn h ARG 223 N 0.72 0.62 -0.25 1.57 9.65 -0.91 -0.72 114.38 125.05 3hqn h ARG 223 Ca 0.21 -0.13 -0.09 0.00 -1.10 0.00 0.00 59.98 58.87 3hqn h ARG 223 Cb -0.04 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 3hqn h ARG 223 CO -0.07 0.61 -0.24 0.87 2.80 0.00 0.00 179.97 183.95 3hqn h LYS 224 N 0.50 0.47 0.00 0.20 1.57 -0.59 -1.48 116.57 117.25 3hqn h LYS 224 Ca 0.13 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3hqn h LYS 224 Cb 0.25 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hqn h LYS 224 CO -0.01 0.68 -0.05 0.00 -0.57 0.00 0.00 179.45 179.51 3hqn h ALA 225 N 1.33 1.03 0.00 3.86 0.00 -0.31 -2.68 119.26 122.48 3hqn h ALA 225 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3hqn h ALA 225 Cb 0.65 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hqn h ALA 225 CO 0.05 0.06 -0.65 -0.07 0.00 0.00 0.00 179.25 178.63 3hqn h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -0.08 -3.42 115.31 115.19 3hqn h LEU 226 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hqn h LEU 226 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hqn h LEU 226 CO 0.01 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.80 3hqn n GLY 227 N 0.72 -2.45 0.23 0.83 0.00 -1.01 -3.20 105.19 100.31 3hqn n GLY 227 Ca -0.00 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.54 3hqn n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqn h PRO 228 N 0.00 0.00 0.00 1.61 0.13 -1.90 -1.49 132.00 130.36 3hqn h PRO 228 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hqn h PRO 228 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hqn h PRO 228 CO 0.00 0.17 0.00 1.63 -0.23 0.00 0.00 178.00 179.57 3hqn n LYS 229 N -3.28 0.14 -0.69 0.86 5.02 -1.26 -3.15 118.16 115.78 3hqn n LYS 229 Ca 0.01 0.11 0.06 0.00 -2.02 0.00 0.00 58.31 56.47 3hqn n LYS 229 Cb 0.43 -1.66 0.32 0.00 -0.02 0.00 0.00 35.03 34.10 3hqn n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hqn n GLY 230 N 1.38 3.64 0.28 0.72 0.00 -0.56 -4.69 105.19 105.96 3hqn n GLY 230 Ca 0.06 -1.00 0.17 0.00 0.00 0.00 0.00 46.02 45.25 3hqn n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqn h ARG 231 N 2.71 0.00 -0.18 1.61 0.11 -1.60 -2.83 114.38 114.19 3hqn h ARG 231 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3hqn h ARG 231 Cb 1.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.83 3hqn h ARG 231 CO 0.38 0.04 0.00 -0.25 0.10 0.00 0.00 179.97 180.24 3hqn n ASP 232 N -3.18 3.12 -4.71 0.08 8.00 -1.26 -4.90 116.55 113.70 3hqn n ASP 232 Ca -0.00 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 3hqn n ASP 232 Cb 0.28 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3hqn n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hqn s ILE 233 N -1.70 4.72 0.31 0.53 1.01 -1.07 -5.00 121.20 119.99 3hqn s ILE 233 Ca 0.31 1.95 -0.27 0.00 0.00 0.00 0.00 60.65 62.65 3hqn s ILE 233 Cb 0.20 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3hqn s ILE 233 CO 0.29 0.14 0.98 -0.04 0.00 0.00 0.00 174.94 176.32 3hqn s MET 234 N 1.11 4.59 -0.32 2.79 -1.94 -0.98 -4.88 119.30 119.67 3hqn s MET 234 Ca 0.53 1.47 -0.07 0.00 -1.71 0.00 0.00 55.69 55.91 3hqn s MET 234 Cb -0.22 -2.93 0.03 0.00 2.01 0.00 0.00 34.83 33.71 3hqn s MET 234 CO 0.27 0.26 0.10 0.42 -0.01 0.00 0.00 175.02 176.07 3hqn s ILE 235 N -1.45 3.91 -0.30 2.53 1.01 -1.26 0.11 121.20 125.76 3hqn s ILE 235 Ca 0.48 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 3hqn s ILE 235 Cb -0.23 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3hqn s ILE 235 CO 0.29 -0.08 0.19 -0.63 0.00 0.00 0.00 174.94 174.72 3hqn s ILE 236 N 1.45 5.15 -0.13 2.92 -1.09 0.64 -1.68 121.20 128.47 3hqn s ILE 236 Ca 0.00 -0.04 -0.21 0.00 -2.23 0.00 0.00 60.65 58.17 3hqn s ILE 236 Cb -0.18 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3hqn s ILE 236 CO 0.03 0.16 0.63 0.00 -1.23 0.00 0.00 174.94 174.52 3hqn s LYS 238 N 1.19 4.12 -0.33 0.00 1.02 0.61 -0.55 119.74 125.79 3hqn s LYS 238 Ca 0.32 0.83 -0.18 0.00 0.02 0.00 0.00 55.97 56.96 3hqn s LYS 238 Cb -0.16 -3.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 3hqn s LYS 238 CO 0.13 -0.57 0.52 0.42 -0.92 0.00 0.00 175.35 174.94 3hqn s ILE 239 N 2.88 5.02 0.00 2.17 -1.09 -0.30 -1.88 121.20 127.99 3hqn s ILE 239 Ca 0.34 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 3hqn s ILE 239 Cb -0.15 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3hqn s ILE 239 CO 0.09 -0.16 0.06 -0.62 -1.23 0.00 0.00 174.94 173.07 3hqn n GLU 240 N 5.73 2.87 -3.91 2.79 1.02 -1.26 -3.04 120.64 124.84 3hqn n GLU 240 Ca -0.04 -0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 3hqn n GLU 240 Cb 0.49 -0.37 -0.02 0.00 -0.02 0.00 0.00 31.44 31.52 3hqn n GLU 240 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hqn n ASN 241 N -0.43 -1.58 -0.03 1.62 6.94 -1.26 -3.27 115.26 117.25 3hqn n ASN 241 Ca 0.00 -2.81 0.00 0.00 -0.02 0.00 0.00 54.58 51.75 3hqn n ASN 241 Cb 0.02 2.84 0.30 0.00 -2.36 0.00 0.00 39.78 40.59 3hqn n ASN 241 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3hqn h HIS 242 N 2.00 0.60 -0.28 -2.53 2.07 -1.94 -2.43 115.15 112.65 3hqn h HIS 242 Ca -0.29 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.19 3hqn h HIS 242 Cb 1.19 -0.18 -0.01 0.00 2.57 0.00 0.00 27.41 30.98 3hqn h HIS 242 CO 0.00 0.52 0.15 1.96 -3.07 0.00 0.00 177.93 177.49 3hqn h GLN 243 N 0.58 0.39 -0.78 5.12 4.20 -1.92 0.83 115.11 123.52 3hqn h GLN 243 Ca 0.13 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.86 3hqn h GLN 243 Cb 0.23 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 3hqn h GLN 243 CO -0.00 0.35 0.47 0.78 -0.67 0.00 0.00 178.83 179.75 3hqn h GLY 244 N 0.33 1.17 0.83 3.46 0.00 -1.58 -0.84 103.07 106.44 3hqn h GLY 244 Ca 0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3hqn h GLY 244 CO -0.01 0.22 -0.01 -2.08 0.00 0.00 0.00 176.54 174.65 3hqn h VAL 245 N 0.85 1.26 -0.78 4.60 2.07 -1.08 -2.28 116.25 120.90 3hqn h VAL 245 Ca 0.35 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3hqn h VAL 245 Cb 0.19 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3hqn h VAL 245 CO -0.18 0.29 0.49 1.56 0.02 0.00 0.00 177.57 179.75 3hqn h GLN 246 N 0.16 1.04 -0.58 1.57 4.20 -0.60 -2.67 115.11 118.22 3hqn h GLN 246 Ca 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hqn h GLN 246 Cb 0.43 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3hqn h GLN 246 CO 0.01 0.71 0.00 0.09 -0.67 0.00 0.00 178.83 178.98 3hqn n ASN 247 N -4.51 2.93 -0.30 1.46 3.02 -0.34 -4.63 115.26 112.88 3hqn n ASN 247 Ca 0.07 -2.25 0.06 0.00 -0.03 0.00 0.00 54.58 52.44 3hqn n ASN 247 Cb 0.04 -0.43 0.27 0.00 -0.61 0.00 0.00 39.78 39.05 3hqn n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqn h ILE 248 N 2.39 0.98 0.19 2.41 6.09 -1.04 -1.90 117.51 126.63 3hqn h ILE 248 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 3hqn h ILE 248 Cb 0.93 -0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.17 3hqn h ILE 248 CO 0.13 0.17 -0.17 0.44 -3.07 0.00 0.00 178.15 175.65 3hqn h ASP 249 N 0.94 -0.46 0.54 2.19 3.32 -1.85 0.33 116.42 121.43 3hqn h ASP 249 Ca 0.42 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.43 3hqn h ASP 249 Cb 0.37 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3hqn h ASP 249 CO -0.18 -0.26 -0.38 0.77 -1.72 0.00 0.00 179.24 177.46 3hqn h SER 250 N -0.39 0.00 -0.21 6.45 4.64 -1.87 -2.19 113.55 119.97 3hqn h SER 250 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3hqn h SER 250 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hqn h SER 250 CO -0.03 0.38 -0.14 0.40 -0.87 0.00 0.00 176.83 176.58 3hqn h ILE 251 N 0.00 1.31 -0.39 0.95 2.04 -1.04 -2.78 117.51 117.60 3hqn h ILE 251 Ca -0.00 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.68 3hqn h ILE 251 Cb 0.75 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 3hqn h ILE 251 CO 0.05 0.38 0.08 0.40 0.00 0.00 0.00 178.15 179.06 3hqn h ILE 252 N 0.17 0.80 -0.83 -0.67 2.04 -0.83 -0.51 117.51 117.68 3hqn h ILE 252 Ca 0.04 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3hqn h ILE 252 Cb 0.65 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.22 3hqn h ILE 252 CO 0.04 0.04 0.46 -0.08 0.00 0.00 0.00 178.15 178.61 3hqn h GLU 253 N 0.21 0.73 0.00 2.37 4.81 -1.36 -2.85 114.58 118.48 3hqn h GLU 253 Ca 0.19 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3hqn h GLU 253 Cb 0.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3hqn h GLU 253 CO -0.25 0.48 -0.75 0.93 -0.73 0.00 0.00 179.01 178.69 3hqn h GLU 254 N 0.75 0.00 -7.13 1.92 4.39 -1.15 -3.47 114.58 109.88 3hqn h GLU 254 Ca 0.41 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.65 3hqn h GLU 254 Cb 0.43 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.15 3hqn h GLU 254 CO -0.27 0.27 0.12 -1.54 -1.16 0.00 0.00 179.01 176.43 3hqn s SER 255 N -6.04 4.58 0.00 1.42 1.04 -0.25 -4.92 113.70 109.52 3hqn s SER 255 Ca 0.02 -0.06 0.23 0.00 0.48 0.00 0.00 55.95 56.62 3hqn s SER 255 Cb 0.08 -0.47 0.15 0.00 0.10 0.00 0.00 66.02 65.88 3hqn s SER 255 CO 0.76 -1.69 1.20 0.47 0.98 0.00 0.00 173.24 174.95 3hqn n ASP 256 N -2.80 2.12 0.00 7.02 8.00 -0.68 -4.93 116.55 125.28 3hqn n ASP 256 Ca 0.12 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 54.06 3hqn n ASP 256 Cb 0.60 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 3hqn n ASP 256 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqn n GLY 257 N 1.39 -2.39 2.95 0.44 0.00 -1.21 -4.08 105.19 102.29 3hqn n GLY 257 Ca 0.11 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 3hqn n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqn s ILE 258 N -2.15 0.36 -0.19 -0.61 -1.09 -0.62 -0.91 121.20 115.99 3hqn s ILE 258 Ca 0.00 -0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 3hqn s ILE 258 Cb 0.00 -0.31 -0.02 0.00 -1.58 0.00 0.00 42.46 40.55 3hqn s ILE 258 CO 0.00 0.09 -0.04 -0.32 -1.23 0.00 0.00 174.94 173.44 3hqn s MET 259 N -0.14 3.51 -0.53 2.79 -2.45 0.28 -0.57 119.30 122.19 3hqn s MET 259 Ca 0.01 -0.58 -0.20 0.00 -1.25 0.00 0.00 55.69 53.67 3hqn s MET 259 Cb -0.02 -2.96 0.06 0.00 1.25 0.00 0.00 34.83 33.15 3hqn s MET 259 CO -0.00 0.01 0.73 0.08 1.05 0.00 0.00 175.02 176.88 3hqn s VAL 260 N 0.97 4.72 -1.05 10.11 1.01 0.92 -1.15 120.40 135.93 3hqn s VAL 260 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3hqn s VAL 260 Cb -0.15 -4.39 0.22 0.00 0.00 0.00 0.00 36.38 32.06 3hqn s VAL 260 CO 0.01 -0.94 1.12 0.00 0.00 0.00 0.00 175.10 175.29 3hqn s ALA 261 N 3.03 4.21 0.28 5.51 0.00 -1.17 -1.88 121.76 131.73 3hqn s ALA 261 Ca 0.19 -3.45 -0.01 0.00 0.00 0.00 0.00 51.96 48.69 3hqn s ALA 261 Cb -0.18 -3.77 0.41 0.00 0.00 0.00 0.00 23.12 19.58 3hqn s ALA 261 CO 0.13 -2.48 1.81 0.00 0.00 0.00 0.00 175.76 175.22 3hqn h ARG 262 N 7.36 0.76 -0.32 0.00 -0.00 -1.77 -0.80 114.38 119.61 3hqn h ARG 262 Ca 0.19 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.98 59.45 3hqn h ARG 262 Cb 0.93 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.79 3hqn h ARG 262 CO 1.03 0.74 -0.00 0.78 0.00 0.00 0.00 179.97 182.51 3hqn h GLY 263 N 0.95 0.61 0.97 0.04 0.00 -1.85 0.62 103.07 104.41 3hqn h GLY 263 Ca 0.15 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3hqn h GLY 263 CO 0.01 0.41 -0.08 -0.55 0.00 0.00 0.00 176.54 176.33 3hqn h ASP 264 N 0.36 0.75 -0.60 0.19 3.32 -1.79 -2.74 116.42 115.91 3hqn h ASP 264 Ca 0.09 -0.35 0.07 0.00 0.02 0.00 0.00 57.03 56.86 3hqn h ASP 264 Cb 0.45 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 3hqn h ASP 264 CO 0.02 0.93 0.29 -0.07 -1.72 0.00 0.00 179.24 178.68 3hqn h LEU 265 N 0.56 0.37 -0.20 1.55 3.38 -1.04 -2.46 115.31 117.48 3hqn h LEU 265 Ca 0.10 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hqn h LEU 265 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hqn h LEU 265 CO 0.04 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.41 3hqn n GLY 266 N -1.28 -0.93 0.29 0.83 0.00 0.20 -1.42 105.19 102.88 3hqn n GLY 266 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 3hqn n GLY 266 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hqn h VAL 267 N 0.00 1.25 0.00 1.61 2.07 -1.28 -3.33 116.25 116.57 3hqn h VAL 267 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3hqn h VAL 267 Cb 0.20 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3hqn h VAL 267 CO 0.00 0.38 -0.93 -0.62 0.02 0.00 0.00 177.57 176.42 3hqn n GLU 268 N -4.19 2.13 -5.11 1.57 1.02 -0.85 -4.93 120.64 110.28 3hqn n GLU 268 Ca 0.03 -0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 3hqn n GLU 268 Cb 0.32 -1.09 -0.16 0.00 -0.02 0.00 0.00 31.44 30.50 3hqn n GLU 268 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hqn s ILE 269 N -2.28 1.90 0.27 -3.67 1.01 -0.51 -4.92 121.20 112.99 3hqn s ILE 269 Ca 0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 3hqn s ILE 269 Cb 0.07 -1.59 -0.14 0.00 0.01 0.00 0.00 42.46 40.81 3hqn s ILE 269 CO 0.40 0.49 1.23 -2.65 0.00 0.00 0.00 174.94 174.41 3hqn n PRO 270 N 2.35 1.73 -0.12 2.79 -0.02 -1.26 -4.25 135.00 136.21 3hqn n PRO 270 Ca -0.16 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 3hqn n PRO 270 Cb 0.52 -2.15 0.49 0.00 -0.02 0.00 0.00 33.50 32.34 3hqn n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqn h ALA 271 N 3.09 2.04 -0.04 3.55 0.00 -1.96 -1.13 119.26 124.81 3hqn h ALA 271 Ca -0.43 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3hqn h ALA 271 Cb 1.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hqn h ALA 271 CO 0.68 -0.20 -0.53 1.05 0.00 0.00 0.00 179.25 180.24 3hqn h GLU 272 N 0.43 0.11 -0.03 0.00 9.09 -2.01 -1.83 114.58 120.35 3hqn h GLU 272 Ca 0.32 -0.07 -0.18 0.00 0.05 0.00 0.00 59.36 59.48 3hqn h GLU 272 Cb 0.65 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 3hqn h GLU 272 CO -0.10 0.62 -0.78 0.87 0.05 0.00 0.00 179.01 179.67 3hqn h LYS 273 N 0.09 0.27 -0.83 1.06 1.57 -1.59 -2.98 116.57 114.17 3hqn h LYS 273 Ca -0.00 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3hqn h LYS 273 Cb 0.97 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 3hqn h LYS 273 CO 0.08 0.92 0.55 0.28 -0.57 0.00 0.00 179.45 180.70 3hqn h VAL 274 N 0.17 1.16 -0.44 0.50 2.07 -1.16 0.15 116.25 118.70 3hqn h VAL 274 Ca -0.03 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3hqn h VAL 274 Cb 1.37 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3hqn h VAL 274 CO 0.12 0.19 0.27 0.58 0.02 0.00 0.00 177.57 178.75 3hqn h VAL 275 N 1.05 1.07 -0.41 2.57 2.07 -1.19 0.07 116.25 121.48 3hqn h VAL 275 Ca 0.32 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.51 3hqn h VAL 275 Cb -0.01 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3hqn h VAL 275 CO -0.09 0.10 -0.33 0.58 0.02 0.00 0.00 177.57 177.85 3hqn h VAL 276 N 0.54 1.27 -0.68 2.57 2.07 -1.37 -2.79 116.25 117.87 3hqn h VAL 276 Ca 0.17 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.21 3hqn h VAL 276 Cb -0.01 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3hqn h VAL 276 CO -0.07 0.51 0.45 0.00 0.02 0.00 0.00 177.57 178.48 3hqn h ALA 277 N 0.80 1.57 -0.23 1.67 0.00 -0.26 -1.01 119.26 121.79 3hqn h ALA 277 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hqn h ALA 277 Cb 0.92 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hqn h ALA 277 CO 0.09 0.38 0.13 0.37 0.00 0.00 0.00 179.25 180.22 3hqn h GLN 278 N 0.87 0.32 -0.73 0.00 4.15 -0.77 -0.28 115.11 118.66 3hqn h GLN 278 Ca 0.26 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.68 3hqn h GLN 278 Cb -0.02 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 3hqn h GLN 278 CO -0.07 0.28 0.47 0.87 -1.93 0.00 0.00 178.83 178.45 3hqn h LYS 279 N 0.28 0.88 -0.17 1.69 1.57 -1.01 0.01 116.57 119.83 3hqn h LYS 279 Ca 0.08 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3hqn h LYS 279 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3hqn h LYS 279 CO -0.01 0.59 0.02 0.82 -0.57 0.00 0.00 179.45 180.29 3hqn h ILE 280 N 0.91 1.23 -0.13 1.86 2.04 -0.95 -2.10 117.51 120.38 3hqn h ILE 280 Ca 0.29 -0.77 -0.20 0.00 1.00 0.00 0.00 64.86 65.18 3hqn h ILE 280 Cb 0.01 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3hqn h ILE 280 CO -0.11 0.23 -0.73 -0.07 0.00 0.00 0.00 178.15 177.47 3hqn h LEU 281 N 0.06 0.73 -0.59 1.44 3.38 -0.79 -1.62 115.31 117.91 3hqn h LEU 281 Ca 0.05 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3hqn h LEU 281 Cb 0.33 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hqn h LEU 281 CO 0.01 1.24 0.25 0.40 0.09 0.00 0.00 178.44 180.42 3hqn h ILE 282 N 0.43 1.23 -0.38 1.22 2.04 -1.01 -2.30 117.51 118.73 3hqn h ILE 282 Ca -0.04 -0.69 -0.15 0.00 1.00 0.00 0.00 64.86 64.99 3hqn h ILE 282 Cb 1.33 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3hqn h ILE 282 CO 0.14 0.27 -0.33 0.28 0.00 0.00 0.00 178.15 178.51 3hqn h SER 283 N 0.82 0.96 -0.58 1.72 0.02 -1.20 0.11 113.55 115.40 3hqn h SER 283 Ca 0.20 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 3hqn h SER 283 Cb 0.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3hqn h SER 283 CO -0.02 1.21 0.38 0.11 -1.14 0.00 0.00 176.83 177.38 3hqn h LYS 284 N 0.72 0.61 -0.09 3.45 1.57 -1.19 -1.33 116.57 120.31 3hqn h LYS 284 Ca 0.07 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3hqn h LYS 284 Cb 0.92 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.10 3hqn h LYS 284 CO 0.09 0.40 -0.43 0.00 -0.57 0.00 0.00 179.45 178.94 3hqn h ASN 286 N 0.00 0.22 -0.62 0.00 -0.26 -0.55 -0.78 115.58 113.60 3hqn h ASN 286 Ca -0.03 0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.74 3hqn h ASN 286 Cb 1.08 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.41 3hqn h ASN 286 CO 0.09 0.10 0.12 0.58 -1.06 0.00 0.00 177.43 177.26 3hqn h VAL 287 N 0.41 1.26 0.00 2.81 2.07 -1.20 -2.43 116.25 119.16 3hqn h VAL 287 Ca 0.37 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3hqn h VAL 287 Cb 0.54 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hqn h VAL 287 CO -0.38 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.58 3hqn n ALA 288 N -2.46 1.82 -2.54 1.67 0.00 -0.36 -4.90 120.51 113.74 3hqn n ALA 288 Ca 0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3hqn n ALA 288 Cb 0.27 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3hqn n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqn n GLY 289 N 0.35 0.07 3.20 0.00 0.00 -0.38 -5.03 105.19 103.39 3hqn n GLY 289 Ca 0.04 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 3hqn n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqn s LYS 290 N -4.97 1.27 0.34 1.61 1.02 -0.69 -4.80 119.74 113.51 3hqn s LYS 290 Ca 0.12 -0.80 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 3hqn s LYS 290 Cb -0.05 -1.31 -0.11 0.00 -0.52 0.00 0.00 37.83 35.84 3hqn s LYS 290 CO 0.15 0.34 1.51 -1.25 -0.92 0.00 0.00 175.35 175.18 3hqn s PRO 291 N -0.94 4.13 -0.04 -1.68 0.04 -1.26 -4.30 135.00 130.95 3hqn s PRO 291 Ca 0.06 2.55 0.03 0.00 0.04 0.00 0.00 61.00 63.67 3hqn s PRO 291 Cb -0.08 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.47 3hqn s PRO 291 CO 0.01 -0.55 -0.11 0.54 0.04 0.00 0.00 177.00 176.93 3hqn s VAL 292 N -0.70 0.97 -0.14 -0.36 0.11 -1.26 -1.58 120.40 117.43 3hqn s VAL 292 Ca 0.56 -0.43 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 3hqn s VAL 292 Cb -0.46 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 3hqn s VAL 292 CO 0.57 0.30 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.93 3hqn s ILE 293 N 0.36 3.43 -0.31 7.04 1.01 0.27 -1.58 121.20 131.42 3hqn s ILE 293 Ca -0.07 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 3hqn s ILE 293 Cb -0.12 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3hqn s ILE 293 CO 0.02 0.51 0.34 0.00 0.00 0.00 0.00 174.94 175.80 3hqn s ALA 295 N 1.99 1.48 0.15 0.00 0.00 -0.79 -1.32 121.76 123.27 3hqn s ALA 295 Ca 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3hqn s ALA 295 Cb -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3hqn s ALA 295 CO 0.11 0.07 0.00 0.25 0.00 0.00 0.00 175.76 176.19 3hqn n THR 296 N 0.43 -2.08 -3.76 0.00 -2.24 -1.26 -2.49 114.28 102.87 3hqn n THR 296 Ca -0.15 0.64 -0.23 0.00 -2.27 0.00 0.00 64.05 62.04 3hqn n THR 296 Cb 0.57 -0.90 0.03 0.00 -2.10 0.00 0.00 70.33 67.94 3hqn n THR 296 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqn n GLN 297 N -1.04 -4.87 -0.04 -0.78 6.02 -1.26 -4.73 117.38 110.68 3hqn n GLN 297 Ca 0.00 0.60 -0.03 0.00 -0.01 0.00 0.00 57.00 57.56 3hqn n GLN 297 Cb 0.01 -5.17 -0.01 0.00 1.02 0.00 0.00 30.24 26.09 3hqn n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqn h MET 298 N -1.91 0.00 -1.46 -1.09 2.86 -1.90 -3.42 114.93 108.00 3hqn h MET 298 Ca -0.61 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.53 3hqn h MET 298 Cb 1.36 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.61 3hqn h MET 298 CO 0.59 0.00 -0.93 1.28 1.06 0.00 0.00 176.91 178.91 3hqn n LEU 299 N -3.66 3.20 -0.26 1.22 4.77 -1.26 -4.73 117.00 116.28 3hqn n LEU 299 Ca -0.04 -4.72 -0.04 0.00 -0.03 0.00 0.00 56.01 51.18 3hqn n LEU 299 Cb 0.15 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 3hqn n LEU 299 CO 0.06 2.02 1.10 -0.08 -1.33 0.00 0.00 177.39 179.16 3hqn h GLU 300 N 2.81 1.12 0.00 3.23 4.81 -1.97 0.15 114.58 124.72 3hqn h GLU 300 Ca 0.12 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hqn h GLU 300 Cb 0.97 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3hqn h GLU 300 CO 0.69 0.87 0.00 -1.13 -0.73 0.00 0.00 179.01 178.71 3hqn n SER 301 N -4.31 0.00 -0.60 1.04 3.41 -1.26 -1.27 113.62 110.63 3hqn n SER 301 Ca 0.07 0.31 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 3hqn n SER 301 Cb 0.15 -0.38 0.33 0.00 -0.26 0.00 0.00 64.21 64.04 3hqn n SER 301 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3hqn n MET 302 N -1.38 1.78 -0.29 4.33 0.00 0.53 -1.75 117.12 120.34 3hqn n MET 302 Ca 0.03 -1.18 -0.05 0.00 -0.00 0.00 0.00 57.70 56.51 3hqn n MET 302 Cb 0.09 -1.38 0.07 0.00 0.00 0.00 0.00 33.22 32.00 3hqn n MET 302 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3hqn h THR 303 N 2.28 1.22 0.00 1.12 2.02 -1.30 -3.38 112.91 114.87 3hqn h THR 303 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3hqn h THR 303 Cb 0.50 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3hqn h THR 303 CO 0.00 0.24 -0.09 -1.22 0.37 0.00 0.00 175.52 174.81 3hqn n TYR 304 N -4.47 0.00 -4.00 3.16 4.01 -1.23 -0.79 117.16 113.84 3hqn n TYR 304 Ca 0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.50 3hqn n TYR 304 Cb 0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 3hqn n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3hqn s ASN 305 N -0.88 5.91 0.38 7.72 0.02 -0.72 -4.98 114.94 122.40 3hqn s ASN 305 Ca 0.00 0.14 0.27 0.00 -1.02 0.00 0.00 52.86 52.25 3hqn s ASN 305 Cb 0.00 -1.71 0.94 0.00 0.02 0.00 0.00 41.25 40.49 3hqn s ASN 305 CO 0.00 0.19 1.79 1.55 0.02 0.00 0.00 177.10 180.65 3hqn h PRO 306 N 3.37 0.00 -5.29 -0.60 0.13 -1.88 -3.39 132.00 124.34 3hqn h PRO 306 Ca -0.47 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 3hqn h PRO 306 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 3hqn h PRO 306 CO 0.69 0.00 -0.75 1.03 -0.23 0.00 0.00 178.00 178.74 3hqn s ARG 307 N -3.37 1.00 0.74 0.86 0.52 -1.26 -5.00 118.95 112.44 3hqn s ARG 307 Ca 0.05 -1.25 -0.05 0.00 -0.52 0.00 0.00 55.73 53.96 3hqn s ARG 307 Cb 0.09 -0.80 0.11 0.00 0.52 0.00 0.00 34.95 34.86 3hqn s ARG 307 CO 0.54 0.14 1.04 -1.25 0.02 0.00 0.00 175.30 175.79 3hqn s PRO 308 N -2.82 1.77 0.55 3.54 0.04 -1.26 -4.55 135.00 132.27 3hqn s PRO 308 Ca 0.09 -0.64 -0.11 0.00 0.04 0.00 0.00 61.00 60.38 3hqn s PRO 308 Cb -0.04 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 3hqn s PRO 308 CO 0.02 -1.47 0.95 0.95 0.04 0.00 0.00 177.00 177.49 3hqn s THR 309 N -3.27 4.72 0.35 1.26 -4.23 -1.26 -4.96 115.64 108.25 3hqn s THR 309 Ca 0.64 0.78 0.05 0.00 -1.18 0.00 0.00 61.69 61.98 3hqn s THR 309 Cb -0.08 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.23 3hqn s THR 309 CO 0.45 -0.94 1.95 -0.09 -0.54 0.00 0.00 174.62 175.45 3hqn h ARG 310 N 0.18 0.80 -0.21 3.99 2.43 -2.00 -1.88 114.38 117.69 3hqn h ARG 310 Ca -0.45 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.55 3hqn h ARG 310 Cb 1.19 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3hqn h ARG 310 CO 0.62 0.53 -0.37 0.00 -1.51 0.00 0.00 179.97 179.24 3hqn h ALA 311 N 1.59 0.97 -0.64 2.80 0.00 -1.99 -1.58 119.26 120.40 3hqn h ALA 311 Ca 0.32 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hqn h ALA 311 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hqn h ALA 311 CO -0.11 0.61 0.29 0.93 0.00 0.00 0.00 179.25 180.97 3hqn h GLU 312 N 0.39 0.92 -0.22 0.00 5.08 -1.67 -0.52 114.58 118.55 3hqn h GLU 312 Ca 0.04 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 3hqn h GLU 312 Cb 0.83 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3hqn h GLU 312 CO 0.07 0.72 -0.61 0.28 -1.00 0.00 0.00 179.01 178.47 3hqn h VAL 313 N 0.91 1.30 -0.13 3.13 2.07 -1.09 -2.18 116.25 120.25 3hqn h VAL 313 Ca 0.22 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.83 3hqn h VAL 313 Cb 0.12 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3hqn h VAL 313 CO -0.03 0.58 -0.29 0.77 0.02 0.00 0.00 177.57 178.63 3hqn h SER 314 N 0.55 0.25 -0.12 0.57 4.64 -0.73 -1.50 113.55 117.20 3hqn h SER 314 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3hqn h SER 314 Cb 1.20 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3hqn h SER 314 CO 0.13 0.54 0.08 -0.78 -0.87 0.00 0.00 176.83 175.92 3hqn h ASP 315 N 0.22 0.14 -0.12 4.97 3.58 -0.73 0.18 116.42 124.67 3hqn h ASP 315 Ca 0.03 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 3hqn h ASP 315 Cb 0.63 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 3hqn h ASP 315 CO 0.05 0.12 0.05 0.58 -2.88 0.00 0.00 179.24 177.16 3hqn h VAL 316 N 0.15 1.14 -0.70 2.25 2.07 -1.20 -1.62 116.25 118.34 3hqn h VAL 316 Ca 0.04 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3hqn h VAL 316 Cb -0.00 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3hqn h VAL 316 CO -0.01 0.12 0.39 0.00 0.02 0.00 0.00 177.57 178.09 3hqn h ALA 317 N 0.91 0.94 0.00 1.67 0.00 -1.09 -2.51 119.26 119.18 3hqn h ALA 317 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hqn h ALA 317 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hqn h ALA 317 CO -0.00 0.06 -0.33 -0.91 0.00 0.00 0.00 179.25 178.07 3hqn h ASN 318 N 0.71 0.00 -0.78 0.00 2.35 -0.80 -0.57 115.58 116.48 3hqn h ASN 318 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3hqn h ASN 318 Cb 0.21 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3hqn h ASN 318 CO -0.19 0.33 0.45 0.00 -1.65 0.00 0.00 177.43 176.37 3hqn h ALA 319 N 1.67 1.31 -0.07 -0.83 0.00 -0.86 0.12 119.26 120.61 3hqn h ALA 319 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hqn h ALA 319 Cb 0.69 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hqn h ALA 319 CO 0.04 0.57 -0.19 0.28 0.00 0.00 0.00 179.25 179.96 3hqn h VAL 320 N 1.09 1.42 -0.75 0.00 2.07 -1.19 -0.67 116.25 118.23 3hqn h VAL 320 Ca 0.28 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.37 3hqn h VAL 320 Cb -0.01 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3hqn h VAL 320 CO -0.05 0.43 0.49 -0.26 0.02 0.00 0.00 177.57 178.20 3hqn h PHE 321 N -0.24 0.68 0.00 1.57 0.04 -0.88 -0.88 116.94 117.24 3hqn h PHE 321 Ca -0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3hqn h PHE 321 Cb 0.79 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 3hqn h PHE 321 CO 0.12 0.32 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.17 3hqn h ASN 322 N 0.64 0.00 0.00 2.17 -0.26 -0.62 -3.47 115.58 114.04 3hqn h ASN 322 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 3hqn h ASN 322 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 3hqn h ASN 322 CO -0.12 0.07 0.00 0.61 -1.06 0.00 0.00 177.43 176.92 3hqn n GLY 323 N -0.92 1.19 3.66 2.83 0.00 -0.33 -4.59 105.19 107.02 3hqn n GLY 323 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 3hqn n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqn n ALA 324 N -0.53 0.85 -0.09 4.61 0.00 -0.28 -4.91 120.51 120.15 3hqn n ALA 324 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 3hqn n ALA 324 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.16 3hqn n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hqn h ASP 325 N 4.37 0.54 -4.38 0.00 5.19 -1.62 -3.45 116.42 117.06 3hqn h ASP 325 Ca -0.45 -0.36 -0.38 0.00 -0.62 0.00 0.00 57.03 55.22 3hqn h ASP 325 Cb 1.28 -0.15 -0.24 0.00 0.18 0.00 0.00 39.33 40.40 3hqn h ASP 325 CO 0.77 0.78 -0.77 0.00 -3.12 0.00 0.00 179.24 176.90 3hqn s VAL 327 N -0.89 2.38 0.04 0.00 -7.23 -0.65 -0.88 120.40 113.17 3hqn s VAL 327 Ca -0.01 -1.05 0.08 0.00 -1.81 0.00 0.00 61.98 59.19 3hqn s VAL 327 Cb -0.08 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 3hqn s VAL 327 CO 0.01 0.54 -0.24 -0.32 -0.31 0.00 0.00 175.10 174.78 3hqn s MET 328 N -0.79 1.92 -0.07 4.82 1.75 -0.44 -1.11 119.30 125.38 3hqn s MET 328 Ca 0.11 -1.05 0.02 0.00 -1.25 0.00 0.00 55.69 53.51 3hqn s MET 328 Cb -0.10 -2.05 -0.03 0.00 2.84 0.00 0.00 34.83 35.49 3hqn s MET 328 CO 0.00 0.53 -0.09 -0.51 -0.65 0.00 0.00 175.02 174.30 3hqn s LEU 329 N -1.24 3.01 0.00 4.11 1.43 -0.01 -4.42 118.68 121.56 3hqn s LEU 329 Ca 0.12 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3hqn s LEU 329 Cb -0.10 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3hqn s LEU 329 CO 0.03 0.34 0.00 -1.20 0.23 0.00 0.00 176.35 175.75 3hqn n SER 330 N 2.35 0.00 0.28 2.29 7.64 -1.26 -1.84 113.62 123.07 3hqn n SER 330 Ca -0.18 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.88 3hqn n SER 330 Cb 0.53 0.00 0.82 0.00 -1.01 0.00 0.00 64.21 64.54 3hqn n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hqn h GLY 331 N 0.00 0.00 1.15 0.23 0.00 -1.97 -1.43 103.07 101.06 3hqn h GLY 331 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3hqn h GLY 331 CO 0.00 0.00 0.37 0.83 0.00 0.00 0.00 176.54 177.74 3hqn h GLU 332 N 0.00 0.40 0.00 4.80 3.07 -1.89 -0.69 114.58 120.28 3hqn h GLU 332 Ca 0.00 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 3hqn h GLU 332 Cb 0.33 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 3hqn h GLU 332 CO 0.00 0.27 -1.70 0.25 -1.40 0.00 0.00 179.01 176.42 3hqn n THR 333 N -4.47 0.57 -0.04 1.13 -2.24 -0.88 -3.80 114.28 104.55 3hqn n THR 333 Ca 0.08 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 3hqn n THR 333 Cb 0.32 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 3hqn n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqn h ALA 334 N 0.68 0.13 0.00 6.98 0.00 -1.03 -3.38 119.26 122.65 3hqn h ALA 334 Ca -0.22 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hqn h ALA 334 Cb 1.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hqn h ALA 334 CO 0.01 -0.02 -0.11 0.36 0.00 0.00 0.00 179.25 179.50 3hqn n LYS 335 N -4.65 0.75 -1.98 0.00 2.85 -0.66 -1.57 118.16 112.90 3hqn n LYS 335 Ca -0.07 -1.01 -0.29 0.00 -1.05 0.00 0.00 58.31 55.89 3hqn n LYS 335 Cb 0.34 -0.70 0.12 0.00 -0.65 0.00 0.00 35.03 34.14 3hqn n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqn s GLY 336 N -0.70 1.68 0.00 2.58 0.00 -0.35 -4.83 107.32 105.69 3hqn s GLY 336 Ca 0.03 -0.93 0.22 0.00 0.00 0.00 0.00 44.72 44.04 3hqn s GLY 336 CO 0.00 -0.35 1.00 1.17 0.00 0.00 0.00 173.10 174.92 3hqn n LYS 337 N -3.40 0.22 -2.92 2.90 4.81 0.03 -4.47 118.16 115.33 3hqn n LYS 337 Ca 0.11 -0.17 -0.20 0.00 -0.87 0.00 0.00 58.31 57.17 3hqn n LYS 337 Cb 0.60 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.14 3hqn n LYS 337 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hqn n TYR 338 N -1.24 1.87 -0.23 5.64 4.01 -1.26 -4.98 117.16 120.97 3hqn n TYR 338 Ca 0.05 -3.57 0.02 0.00 -0.16 0.00 0.00 57.90 54.24 3hqn n TYR 338 Cb 0.35 -0.38 0.14 0.00 -0.31 0.00 0.00 39.34 39.14 3hqn n TYR 338 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hqn h PRO 339 N 2.94 0.48 -0.27 -0.72 0.13 -1.78 -1.27 132.00 131.50 3hqn h PRO 339 Ca 0.10 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.03 3hqn h PRO 339 Cb 0.88 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hqn h PRO 339 CO 0.63 0.32 -0.48 -0.91 -0.23 0.00 0.00 178.00 177.33 3hqn h ASN 340 N 0.49 0.89 -0.51 1.44 2.35 -1.92 -2.78 115.58 115.54 3hqn h ASN 340 Ca 0.35 -0.53 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 3hqn h ASN 340 Cb 0.44 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3hqn h ASN 340 CO -0.32 1.25 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.33 3hqn h GLU 341 N 0.56 0.98 -0.42 0.81 3.07 -1.90 -1.68 114.58 116.00 3hqn h GLU 341 Ca 0.02 -0.32 -0.10 0.00 -0.50 0.00 0.00 59.36 58.46 3hqn h GLU 341 Cb 1.08 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 3hqn h GLU 341 CO 0.11 0.99 -0.13 -0.24 -1.40 0.00 0.00 179.01 178.34 3hqn h VAL 342 N 0.88 1.28 -0.75 3.13 3.04 -1.24 -0.75 116.25 121.83 3hqn h VAL 342 Ca 0.15 -1.25 -0.00 0.00 -1.01 0.00 0.00 66.70 64.59 3hqn h VAL 342 Cb 0.59 1.20 -0.04 0.00 -2.01 0.00 0.00 31.29 31.03 3hqn h VAL 342 CO 0.04 0.42 0.45 0.58 -1.01 0.00 0.00 177.57 178.05 3hqn h VAL 343 N 0.66 1.21 -0.24 1.51 2.07 -1.39 -0.21 116.25 119.85 3hqn h VAL 343 Ca 0.10 -0.47 -0.18 0.00 0.82 0.00 0.00 66.70 66.98 3hqn h VAL 343 Cb 0.67 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3hqn h VAL 343 CO 0.05 0.22 -0.55 1.56 0.02 0.00 0.00 177.57 178.87 3hqn h GLN 344 N 1.03 0.74 -0.24 1.57 4.20 -1.14 0.12 115.11 121.39 3hqn h GLN 344 Ca 0.27 -0.47 -0.18 0.00 0.06 0.00 0.00 58.65 58.33 3hqn h GLN 344 Cb -0.03 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3hqn h GLN 344 CO -0.05 1.09 -0.59 -0.92 -0.67 0.00 0.00 178.83 177.69 3hqn h TYR 345 N 0.57 0.97 -0.64 2.96 3.20 -1.00 -1.00 116.97 122.03 3hqn h TYR 345 Ca 0.01 -0.36 0.03 0.00 3.14 0.00 0.00 58.73 61.55 3hqn h TYR 345 Cb 1.13 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 3hqn h TYR 345 CO 0.06 1.16 0.39 1.98 -1.64 0.00 0.00 178.16 180.11 3hqn h MET 346 N 0.58 0.74 -0.79 1.82 4.05 -0.78 0.11 114.93 120.65 3hqn h MET 346 Ca 0.00 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3hqn h MET 346 Cb 1.18 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 3hqn h MET 346 CO 0.12 0.49 0.48 0.00 0.23 0.00 0.00 176.91 178.23 3hqn h ALA 347 N 1.28 1.01 -0.38 0.39 0.00 -0.85 -1.41 119.26 119.30 3hqn h ALA 347 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hqn h ALA 347 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hqn h ALA 347 CO -0.11 0.47 0.23 -0.09 0.00 0.00 0.00 179.25 179.75 3hqn h ARG 348 N 1.09 0.51 -0.50 0.00 2.43 -0.28 -0.55 114.38 117.08 3hqn h ARG 348 Ca 0.29 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3hqn h ARG 348 Cb -0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3hqn h ARG 348 CO -0.05 0.38 0.04 0.82 -1.51 0.00 0.00 179.97 179.64 3hqn h ILE 349 N 0.50 1.26 -0.69 1.20 2.04 -0.49 -1.30 117.51 120.04 3hqn h ILE 349 Ca 0.14 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.01 3hqn h ILE 349 Cb -0.01 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3hqn h ILE 349 CO -0.03 0.36 0.43 0.00 0.00 0.00 0.00 178.15 178.91 3hqn h LEU 351 N 0.85 0.53 -0.57 0.00 5.85 -0.96 0.54 115.31 121.55 3hqn h LEU 351 Ca 0.27 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3hqn h LEU 351 Cb -0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3hqn h LEU 351 CO -0.10 0.63 0.23 -0.08 -0.34 0.00 0.00 178.44 178.78 3hqn h GLU 352 N 0.41 0.84 -0.72 1.25 4.57 -0.81 -2.19 114.58 117.93 3hqn h GLU 352 Ca 0.11 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3hqn h GLU 352 Cb 0.31 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3hqn h GLU 352 CO 0.00 0.72 0.46 0.00 -1.18 0.00 0.00 179.01 179.01 3hqn h ALA 353 N 1.08 0.91 -0.29 2.92 0.00 -0.68 -2.43 119.26 120.77 3hqn h ALA 353 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hqn h ALA 353 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hqn h ALA 353 CO -0.02 0.36 0.04 0.37 0.00 0.00 0.00 179.25 180.00 3hqn h GLN 354 N 0.98 0.43 0.00 0.00 4.15 -0.69 -1.88 115.11 118.10 3hqn h GLN 354 Ca 0.26 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 3hqn h GLN 354 Cb -0.07 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 3hqn h GLN 354 CO -0.05 0.42 -0.13 0.77 -1.93 0.00 0.00 178.83 177.91 3hqn h SER 355 N 0.42 0.00 0.27 -0.69 0.02 -0.89 -1.86 113.55 110.82 3hqn h SER 355 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3hqn h SER 355 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3hqn h SER 355 CO 0.00 0.13 -1.03 0.00 -1.14 0.00 0.00 176.83 174.79 3hqn n ALA 356 N -2.18 3.79 -2.50 3.77 0.00 -0.78 -4.95 120.51 117.66 3hqn n ALA 356 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 3hqn n ALA 356 Cb 0.36 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 3hqn n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hqn s LEU 357 N -3.56 4.38 -0.59 0.00 0.20 -0.70 -4.86 118.68 113.55 3hqn s LEU 357 Ca 0.05 1.89 -0.24 0.00 0.69 0.00 0.00 54.13 56.53 3hqn s LEU 357 Cb 0.15 -3.58 0.05 0.00 -0.43 0.00 0.00 46.19 42.38 3hqn s LEU 357 CO 0.82 -0.38 0.96 0.21 -0.29 0.00 0.00 176.35 177.67 3hqn s ASN 358 N 0.96 6.28 0.45 3.68 3.84 -1.26 -4.91 114.94 123.98 3hqn s ASN 358 Ca 0.56 -0.56 0.22 0.00 0.21 0.00 0.00 52.86 53.29 3hqn s ASN 358 Cb -0.26 -2.44 1.08 0.00 -0.55 0.00 0.00 41.25 39.08 3hqn s ASN 358 CO 0.29 -1.32 1.93 -0.33 -2.79 0.00 0.00 177.10 174.88 3hqn h GLU 359 N 9.42 0.00 0.00 0.43 3.07 -1.93 -3.08 114.58 122.49 3hqn h GLU 359 Ca -0.27 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.56 3hqn h GLU 359 Cb 1.07 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3hqn h GLU 359 CO 1.12 0.23 -0.16 -0.92 -1.40 0.00 0.00 179.01 177.89 3hqn h TYR 360 N 0.00 0.00 -0.50 4.33 3.20 -1.91 -1.22 116.97 120.87 3hqn h TYR 360 Ca -0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3hqn h TYR 360 Cb 0.54 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3hqn h TYR 360 CO 0.00 0.16 0.09 0.28 -1.64 0.00 0.00 178.16 177.05 3hqn h VAL 361 N 0.00 1.25 0.12 1.81 2.07 -1.93 0.12 116.25 119.69 3hqn h VAL 361 Ca -0.00 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3hqn h VAL 361 Cb 0.34 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hqn h VAL 361 CO 0.02 0.33 -0.06 -0.26 0.02 0.00 0.00 177.57 177.62 3hqn h PHE 362 N 0.69 -0.14 -0.43 1.57 -1.00 -1.52 0.79 116.94 116.90 3hqn h PHE 362 Ca 0.15 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.96 3hqn h PHE 362 Cb 0.38 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 3hqn h PHE 362 CO 0.03 -0.02 0.24 0.35 -1.61 0.00 0.00 178.31 177.29 3hqn h PHE 363 N -0.23 0.44 -0.04 -0.55 3.57 -0.94 -0.40 116.94 118.77 3hqn h PHE 363 Ca -0.02 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 3hqn h PHE 363 Cb 0.19 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 38.80 3hqn h PHE 363 CO -0.05 0.24 -0.92 -0.97 -2.23 0.00 0.00 178.31 174.38 3hqn h ASN 364 N 0.47 0.75 -0.73 0.41 -0.00 -0.72 -0.40 115.58 115.36 3hqn h ASN 364 Ca 0.18 -0.56 -0.02 0.00 -0.00 0.00 0.00 56.30 55.89 3hqn h ASN 364 Cb 0.05 -0.23 -0.04 0.00 -0.00 0.00 0.00 38.32 38.11 3hqn h ASN 364 CO -0.11 1.36 0.37 0.28 -0.00 0.00 0.00 177.43 179.33 3hqn h SER 365 N 0.36 0.96 -0.05 1.15 0.02 -0.50 -0.15 113.55 115.33 3hqn h SER 365 Ca -0.09 -0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.61 3hqn h SER 365 Cb 1.55 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.86 3hqn h SER 365 CO 0.17 0.80 -0.59 0.40 -1.14 0.00 0.00 176.83 176.47 3hqn h ILE 366 N 1.06 1.39 -0.72 3.27 2.04 -0.86 -3.03 117.51 120.65 3hqn h ILE 366 Ca 0.26 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.15 3hqn h ILE 366 Cb 0.08 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3hqn h ILE 366 CO -0.04 0.58 0.46 0.50 0.00 0.00 0.00 178.15 179.66 3hqn h LYS 367 N 0.05 0.96 0.00 2.37 3.64 -0.96 -2.16 116.57 120.47 3hqn h LYS 367 Ca -0.06 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3hqn h LYS 367 Cb 1.26 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3hqn h LYS 367 CO 0.12 0.65 -0.00 0.87 -2.27 0.00 0.00 179.45 178.82 3hqn h LYS 368 N 0.98 0.00 -0.00 1.90 1.57 -1.01 -0.78 116.57 119.22 3hqn h LYS 368 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3hqn h LYS 368 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3hqn h LYS 368 CO -0.05 0.00 -0.14 1.28 -0.57 0.00 0.00 179.45 179.97 3hqn n LEU 369 N -3.16 0.38 -4.75 2.94 4.77 -0.81 -4.89 117.00 111.48 3hqn n LEU 369 Ca -0.03 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.65 3hqn n LEU 369 Cb 0.10 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 3hqn n LEU 369 CO 0.22 0.08 0.74 -1.10 -1.33 0.00 0.00 177.39 175.99 3hqn s GLN 370 N -2.65 4.71 0.24 3.23 -1.52 -0.30 -5.02 119.66 118.34 3hqn s GLN 370 Ca 0.24 1.68 -0.25 0.00 -1.95 0.00 0.00 55.36 55.08 3hqn s GLN 370 Cb 0.19 -3.23 -0.09 0.00 -0.22 0.00 0.00 33.01 29.67 3hqn s GLN 370 CO 0.52 0.31 0.83 -1.58 -0.25 0.00 0.00 175.29 175.12 3hqn s HIS 371 N -1.06 3.79 -0.16 0.91 5.65 -1.26 -5.02 115.29 118.14 3hqn s HIS 371 Ca 0.44 1.65 -0.13 0.00 0.25 0.00 0.00 55.06 57.27 3hqn s HIS 371 Cb -0.30 -2.80 -0.05 0.00 -1.18 0.00 0.00 32.58 28.26 3hqn s HIS 371 CO 0.37 0.37 0.26 0.42 -0.65 0.00 0.00 174.74 175.52 3hqn s ILE 372 N -1.39 5.32 0.30 0.89 1.09 -1.26 -2.80 121.20 123.35 3hqn s ILE 372 Ca 0.43 0.48 -0.28 0.00 -1.10 0.00 0.00 60.65 60.18 3hqn s ILE 372 Cb -0.20 -3.60 -0.09 0.00 -1.06 0.00 0.00 42.46 37.51 3hqn s ILE 372 CO 0.25 0.42 1.00 -2.16 -0.10 0.00 0.00 174.94 174.34 3hqn s PRO 373 N 0.31 4.63 0.55 2.79 0.04 -1.26 -5.16 135.00 136.90 3hqn s PRO 373 Ca 0.15 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 3hqn s PRO 373 Cb -0.13 -3.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 3hqn s PRO 373 CO 0.03 0.28 1.02 -1.64 0.04 0.00 0.00 177.00 176.73 3hqn s MET 374 N -1.68 3.66 0.73 4.56 -1.94 -1.12 -5.06 119.30 118.45 3hqn s MET 374 Ca 0.47 1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 55.40 3hqn s MET 374 Cb -0.25 -2.09 0.03 0.00 2.01 0.00 0.00 34.83 34.53 3hqn s MET 374 CO 0.31 -0.52 1.07 -1.54 -0.01 0.00 0.00 175.02 174.34 3hqn s SER 375 N -2.98 5.04 0.22 3.03 1.04 -1.26 -4.81 113.70 113.98 3hqn s SER 375 Ca 0.61 1.63 -0.09 0.00 0.48 0.00 0.00 55.95 58.58 3hqn s SER 375 Cb -0.13 -2.45 0.34 0.00 0.10 0.00 0.00 66.02 63.89 3hqn s SER 375 CO 0.34 -1.66 1.69 0.00 0.98 0.00 0.00 173.24 174.59 3hqn h ALA 376 N -0.87 0.75 -0.52 5.32 0.00 -1.99 -0.89 119.26 121.06 3hqn h ALA 376 Ca -0.44 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3hqn h ALA 376 Cb 1.22 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3hqn h ALA 376 CO 0.56 -0.34 0.25 0.38 0.00 0.00 0.00 179.25 180.10 3hqn h ASP 377 N 0.22 0.68 -0.41 0.00 -0.00 -1.96 0.48 116.42 115.44 3hqn h ASP 377 Ca 0.35 -0.13 -0.13 0.00 -0.00 0.00 0.00 57.03 57.11 3hqn h ASP 377 Cb 0.55 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.70 3hqn h ASP 377 CO -0.47 0.62 -0.25 -0.08 -0.00 0.00 0.00 179.24 179.07 3hqn h GLU 378 N 0.69 0.90 -0.61 4.15 4.57 -1.88 -1.14 114.58 121.26 3hqn h GLU 378 Ca 0.18 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 3hqn h GLU 378 Cb 0.12 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3hqn h GLU 378 CO -0.02 1.07 0.29 0.00 -1.18 0.00 0.00 179.01 179.16 3hqn h ALA 379 N 0.81 0.78 -0.07 2.92 0.00 -0.84 -2.11 119.26 120.76 3hqn h ALA 379 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hqn h ALA 379 Cb 0.82 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hqn h ALA 379 CO 0.07 0.35 0.01 0.28 0.00 0.00 0.00 179.25 179.96 3hqn h VAL 380 N 0.83 1.22 -0.56 0.00 2.07 -0.80 0.01 116.25 119.03 3hqn h VAL 380 Ca 0.21 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3hqn h VAL 380 Cb 0.12 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3hqn h VAL 380 CO -0.03 0.19 0.14 0.00 0.02 0.00 0.00 177.57 177.90 3hqn h SER 382 N 0.80 0.96 0.68 0.00 4.64 -1.41 -1.52 113.55 117.69 3hqn h SER 382 Ca 0.18 -0.33 -0.11 0.00 -0.47 0.00 0.00 61.79 61.06 3hqn h SER 382 Cb 0.33 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3hqn h SER 382 CO 0.00 1.06 -0.52 0.77 -0.87 0.00 0.00 176.83 177.27 3hqn h SER 383 N 0.83 0.00 -0.24 4.97 4.64 -0.88 0.11 113.55 122.99 3hqn h SER 383 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3hqn h SER 383 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3hqn h SER 383 CO 0.04 0.52 0.08 0.00 -0.87 0.00 0.00 176.83 176.59 3hqn h ALA 384 N 1.48 0.31 -0.70 5.18 0.00 -0.94 -0.69 119.26 123.90 3hqn h ALA 384 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hqn h ALA 384 Cb 1.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3hqn h ALA 384 CO 0.07 -0.07 0.29 0.28 0.00 0.00 0.00 179.25 179.82 3hqn h VAL 385 N 0.22 1.24 -0.89 0.00 2.07 -1.11 -2.28 116.25 115.51 3hqn h VAL 385 Ca 0.08 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 66.93 3hqn h VAL 385 Cb 0.23 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 3hqn h VAL 385 CO -0.00 0.30 0.58 -1.13 0.02 0.00 0.00 177.57 177.34 3hqn h ASN 386 N 1.00 0.84 -0.14 0.57 -0.73 -0.72 -1.61 115.58 114.79 3hqn h ASN 386 Ca 0.24 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.37 3hqn h ASN 386 Cb 0.19 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 3hqn h ASN 386 CO -0.02 0.52 -0.05 0.28 -0.37 0.00 0.00 177.43 177.78 3hqn h SER 387 N 0.94 0.40 -0.04 1.15 0.02 -0.79 0.51 113.55 115.73 3hqn h SER 387 Ca 0.40 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 3hqn h SER 387 Cb 0.31 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3hqn h SER 387 CO -0.16 0.50 -0.07 0.58 -1.14 0.00 0.00 176.83 176.54 3hqn h VAL 388 N 0.40 0.80 -0.57 2.27 2.07 -0.73 -0.89 116.25 119.61 3hqn h VAL 388 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3hqn h VAL 388 Cb 0.35 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3hqn h VAL 388 CO 0.02 0.00 0.04 1.88 0.02 0.00 0.00 177.57 179.52 3hqn h TYR 389 N -0.11 1.01 -0.08 1.57 0.05 -1.08 0.29 116.97 118.62 3hqn h TYR 389 Ca 0.04 -0.15 -0.11 0.00 0.05 0.00 0.00 58.73 58.57 3hqn h TYR 389 Cb 0.17 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3hqn h TYR 389 CO -0.16 0.89 -0.45 0.93 -1.05 0.00 0.00 178.16 178.32 3hqn h GLU 390 N 0.88 0.20 -0.01 4.88 5.08 -0.70 -3.13 114.58 121.79 3hqn h GLU 390 Ca 0.17 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hqn h GLU 390 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hqn h GLU 390 CO 0.02 0.62 -0.37 0.25 -1.00 0.00 0.00 179.01 178.53 3hqn n THR 391 N -3.99 0.00 -3.72 1.13 -2.24 -0.36 -4.98 114.28 100.13 3hqn n THR 391 Ca -0.02 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 3hqn n THR 391 Cb 0.51 1.18 0.03 0.00 -2.10 0.00 0.00 70.33 69.95 3hqn n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hqn n LYS 392 N -0.21 -5.01 -1.52 -0.78 5.02 0.91 -4.90 118.16 111.66 3hqn n LYS 392 Ca 0.07 0.62 -0.33 0.00 -2.02 0.00 0.00 58.31 56.65 3hqn n LYS 392 Cb 0.34 -5.22 0.08 0.00 -0.02 0.00 0.00 35.03 30.21 3hqn n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqn s ALA 393 N -3.63 2.26 -1.60 7.82 0.00 -0.43 -4.76 121.76 121.41 3hqn s ALA 393 Ca 0.07 0.64 0.15 0.00 0.00 0.00 0.00 51.96 52.82 3hqn s ALA 393 Cb -0.03 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.75 3hqn s ALA 393 CO 0.81 -1.64 0.89 1.63 0.00 0.00 0.00 175.76 177.45 3hqn n LYS 394 N -2.75 1.55 -3.47 0.00 5.02 -0.38 -4.82 118.16 113.31 3hqn n LYS 394 Ca 0.11 -1.02 -0.12 0.00 -2.02 0.00 0.00 58.31 55.27 3hqn n LYS 394 Cb 0.51 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 3hqn n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqn s ALA 395 N -1.63 -1.50 0.13 7.82 0.00 -1.25 -4.27 121.76 121.06 3hqn s ALA 395 Ca 0.15 0.39 0.09 0.00 0.00 0.00 0.00 51.96 52.58 3hqn s ALA 395 Cb 0.13 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 3hqn s ALA 395 CO 0.31 -0.77 -0.16 -1.64 0.00 0.00 0.00 175.76 173.51 3hqn s MET 396 N -3.76 1.85 -0.15 0.00 -1.94 -0.61 -1.57 119.30 113.13 3hqn s MET 396 Ca 0.02 -1.21 0.02 0.00 -1.71 0.00 0.00 55.69 52.81 3hqn s MET 396 Cb -0.01 -2.12 0.01 0.00 2.01 0.00 0.00 34.83 34.72 3hqn s MET 396 CO -0.12 0.47 -0.20 0.08 -0.01 0.00 0.00 175.02 175.24 3hqn s VAL 397 N -1.30 2.19 -0.12 -6.03 1.01 -0.19 -0.83 120.40 115.13 3hqn s VAL 397 Ca 0.20 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3hqn s VAL 397 Cb -0.10 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3hqn s VAL 397 CO 0.11 0.54 -0.22 -0.69 0.00 0.00 0.00 175.10 174.84 3hqn s VAL 398 N 0.89 2.02 -0.36 2.92 1.01 0.17 -0.24 120.40 126.82 3hqn s VAL 398 Ca -0.05 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 3hqn s VAL 398 Cb -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3hqn s VAL 398 CO -0.03 0.55 0.58 -0.76 0.00 0.00 0.00 175.10 175.43 3hqn s LEU 399 N 0.64 4.31 -0.11 3.92 1.02 -0.41 -0.24 118.68 127.82 3hqn s LEU 399 Ca -0.12 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 3hqn s LEU 399 Cb -0.16 -2.69 0.05 0.00 0.02 0.00 0.00 46.19 43.41 3hqn s LEU 399 CO 0.02 -0.54 0.11 -0.55 0.02 0.00 0.00 176.35 175.41 3hqn s SER 400 N 1.78 1.44 0.08 2.29 0.15 -0.95 -4.40 113.70 114.09 3hqn s SER 400 Ca 0.22 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.62 3hqn s SER 400 Cb -0.15 -0.02 -0.19 0.00 -1.71 0.00 0.00 66.02 63.96 3hqn s SER 400 CO 0.14 -0.29 1.25 0.78 1.20 0.00 0.00 173.24 176.32 3hqn h ASN 401 N 8.40 0.85 0.36 5.45 2.35 -1.96 -3.32 115.58 127.72 3hqn h ASN 401 Ca -0.14 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 54.94 3hqn h ASN 401 Cb 1.13 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3hqn h ASN 401 CO 0.20 1.39 -0.83 0.35 -1.65 0.00 0.00 177.43 176.90 3hqn n THR 402 N -3.99 0.07 -0.01 2.81 -2.24 -1.26 -4.40 114.28 105.26 3hqn n THR 402 Ca -0.09 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3hqn n THR 402 Cb 0.75 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3hqn n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqn n GLY 403 N 1.45 0.53 0.09 3.38 0.00 -1.25 -4.85 105.19 104.54 3hqn n GLY 403 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3hqn n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hqn h ARG 404 N 3.72 0.18 0.00 1.61 2.43 -1.92 -0.26 114.38 120.14 3hqn h ARG 404 Ca 0.00 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3hqn h ARG 404 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3hqn h ARG 404 CO 0.00 0.46 -0.43 0.66 -1.51 0.00 0.00 179.97 179.15 3hqn h SER 405 N -0.11 0.00 -0.58 -3.80 4.64 -1.93 -1.01 113.55 110.76 3hqn h SER 405 Ca 0.03 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 3hqn h SER 405 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3hqn h SER 405 CO 0.01 0.43 -0.04 0.00 -0.87 0.00 0.00 176.83 176.35 3hqn h ALA 406 N 1.57 0.79 -0.14 5.18 0.00 -1.80 -0.84 119.26 124.02 3hqn h ALA 406 Ca -0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3hqn h ALA 406 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hqn h ALA 406 CO 0.06 0.66 -0.37 0.00 0.00 0.00 0.00 179.25 179.60 3hqn h ARG 407 N 0.95 0.30 -0.33 0.00 3.08 -0.67 -0.76 114.38 116.95 3hqn h ARG 407 Ca 0.16 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 3hqn h ARG 407 Cb 0.61 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3hqn h ARG 407 CO 0.04 0.64 -0.46 1.25 -1.07 0.00 0.00 179.97 180.37 3hqn h LEU 408 N 0.26 0.98 -0.35 3.04 5.85 -0.90 -0.66 115.31 123.53 3hqn h LEU 408 Ca 0.03 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 3hqn h LEU 408 Cb 0.78 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hqn h LEU 408 CO 0.06 1.29 0.12 0.58 -0.34 0.00 0.00 178.44 180.15 3hqn h VAL 409 N 0.70 1.20 0.00 1.05 2.07 -1.10 -3.10 116.25 117.07 3hqn h VAL 409 Ca 0.04 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3hqn h VAL 409 Cb 1.06 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3hqn h VAL 409 CO 0.11 0.23 -0.12 0.00 0.02 0.00 0.00 177.57 177.80 3hqn h ALA 410 N 0.96 1.60 -0.70 1.67 0.00 -0.92 -1.95 119.26 119.91 3hqn h ALA 410 Ca 0.11 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hqn h ALA 410 Cb 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3hqn h ALA 410 CO -0.01 0.16 0.46 -0.22 0.00 0.00 0.00 179.25 179.64 3hqn h LYS 411 N 0.00 0.68 -0.01 0.00 3.64 -1.04 -1.04 116.57 118.80 3hqn h LYS 411 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hqn h LYS 411 Cb 0.25 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3hqn h LYS 411 CO 0.02 0.45 -0.01 0.66 -2.27 0.00 0.00 179.45 178.30 3hqn n TYR 412 N -4.48 0.00 -3.29 1.91 4.01 -0.73 -4.88 117.16 109.70 3hqn n TYR 412 Ca 0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 3hqn n TYR 412 Cb 0.25 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.31 3hqn n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hqn n ARG 413 N -0.31 -1.75 -0.84 -0.72 5.12 -0.40 -3.97 116.66 113.79 3hqn n ARG 413 Ca 0.21 0.99 -0.31 0.00 -1.93 0.00 0.00 57.85 56.80 3hqn n ARG 413 Cb 0.26 -5.35 0.15 0.00 -1.16 0.00 0.00 32.46 26.36 3hqn n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hqn s PRO 414 N -4.25 1.28 -0.51 5.56 0.04 -1.26 -4.57 135.00 131.29 3hqn s PRO 414 Ca 0.30 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 3hqn s PRO 414 Cb -0.06 -1.76 0.39 0.00 0.04 0.00 0.00 34.50 33.12 3hqn s PRO 414 CO 0.77 -2.44 1.99 0.27 0.04 0.00 0.00 177.00 177.63 3hqn n ASN 415 N -3.97 6.69 -3.91 6.66 6.94 -1.26 -4.91 115.26 121.50 3hqn n ASN 415 Ca 0.12 -3.49 -0.09 0.00 -0.02 0.00 0.00 54.58 51.10 3hqn n ASN 415 Cb 0.52 -0.97 -0.07 0.00 -2.36 0.00 0.00 39.78 36.89 3hqn n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqn s PRO 417 N -3.90 2.21 -0.13 0.00 0.02 -1.26 -4.82 135.00 127.11 3hqn s PRO 417 Ca 0.10 1.89 -0.00 0.00 0.02 0.00 0.00 61.00 63.00 3hqn s PRO 417 Cb 0.04 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.72 3hqn s PRO 417 CO -0.07 -1.81 -0.13 0.42 -0.33 0.00 0.00 177.00 175.08 3hqn s ILE 418 N -1.77 3.01 -0.22 2.83 1.01 -0.29 -1.57 121.20 124.20 3hqn s ILE 418 Ca 0.78 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 3hqn s ILE 418 Cb -0.32 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3hqn s ILE 418 CO 0.44 0.52 0.02 -0.69 0.00 0.00 0.00 174.94 175.23 3hqn s VAL 419 N 0.40 3.98 -0.23 2.92 1.01 -0.01 -0.39 120.40 128.07 3hqn s VAL 419 Ca -0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3hqn s VAL 419 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3hqn s VAL 419 CO 0.05 0.39 0.10 0.00 0.00 0.00 0.00 175.10 175.65 3hqn s VAL 421 N 1.04 4.74 0.08 0.00 1.01 0.67 -0.37 120.40 127.57 3hqn s VAL 421 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3hqn s VAL 421 Cb -0.14 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3hqn s VAL 421 CO 0.04 0.30 -0.10 0.28 0.00 0.00 0.00 175.10 175.62 3hqn s THR 422 N 1.67 0.84 -2.18 3.92 -1.32 -0.75 -2.23 115.64 115.58 3hqn s THR 422 Ca 0.07 -1.52 0.18 0.00 -1.21 0.00 0.00 61.69 59.21 3hqn s THR 422 Cb -0.15 -1.20 0.42 0.00 -1.51 0.00 0.00 72.50 70.06 3hqn s THR 422 CO 0.07 -0.52 1.43 0.35 -2.21 0.00 0.00 174.62 173.73 3hqn n THR 423 N 0.76 0.41 -4.48 5.08 -2.24 -1.26 -0.18 114.28 112.37 3hqn n THR 423 Ca -0.18 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 60.82 3hqn n THR 423 Cb 0.57 0.42 -0.17 0.00 -2.10 0.00 0.00 70.33 69.05 3hqn n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hqn s ARG 424 N -1.59 2.18 0.41 -0.78 0.52 -1.26 -4.79 118.95 113.64 3hqn s ARG 424 Ca 0.32 -0.55 0.14 0.00 -0.52 0.00 0.00 55.73 55.11 3hqn s ARG 424 Cb 0.17 -1.85 0.86 0.00 0.52 0.00 0.00 34.95 34.65 3hqn s ARG 424 CO 0.24 -0.05 1.91 -0.07 0.02 0.00 0.00 175.30 177.35 3hqn h LEU 425 N 7.37 0.00 -1.42 2.53 3.38 -1.95 -2.48 115.31 122.74 3hqn h LEU 425 Ca -0.31 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3hqn h LEU 425 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3hqn h LEU 425 CO 0.49 0.28 -0.28 -0.61 0.09 0.00 0.00 178.44 178.41 3hqn h GLN 426 N 0.00 0.00 -0.26 1.13 4.15 -1.96 -1.97 115.11 116.20 3hqn h GLN 426 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 3hqn h GLN 426 Cb 0.50 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3hqn h GLN 426 CO 0.04 0.28 -0.15 1.15 -1.93 0.00 0.00 178.83 178.22 3hqn h THR 427 N 0.00 1.30 -0.82 2.39 2.02 -1.74 0.19 112.91 116.26 3hqn h THR 427 Ca -0.00 -1.25 0.13 0.00 0.77 0.00 0.00 66.41 66.06 3hqn h THR 427 Cb 0.58 1.55 -0.09 0.00 -1.74 0.00 0.00 68.15 68.45 3hqn h THR 427 CO 0.04 0.39 0.42 0.00 0.37 0.00 0.00 175.52 176.73 3hqn h ARG 429 N 0.63 0.40 -0.04 0.00 3.08 -0.91 -3.26 114.38 114.29 3hqn h ARG 429 Ca 0.43 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3hqn h ARG 429 Cb 0.56 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3hqn h ARG 429 CO -0.33 1.04 -0.13 1.96 -1.07 0.00 0.00 179.97 181.44 3hqn h GLN 430 N -0.09 0.06 0.00 0.04 4.20 -0.24 -1.59 115.11 117.49 3hqn h GLN 430 Ca -0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hqn h GLN 430 Cb 1.19 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3hqn h GLN 430 CO 0.10 0.19 0.00 1.28 -0.67 0.00 0.00 178.83 179.73 3hqn n LEU 431 N -4.36 0.09 0.00 1.46 4.77 0.02 -3.02 117.00 115.96 3hqn n LEU 431 Ca -0.02 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.53 3hqn n LEU 431 Cb 0.21 -0.53 0.17 0.00 -2.33 0.00 0.00 43.42 40.95 3hqn n LEU 431 CO 0.36 -0.41 0.60 0.59 -1.33 0.00 0.00 177.39 177.20 3hqn n ASN 432 N -1.61 0.00 -1.14 -1.43 3.02 -0.60 -1.39 115.26 112.12 3hqn n ASN 432 Ca 0.02 0.40 0.10 0.00 -0.03 0.00 0.00 54.58 55.07 3hqn n ASN 432 Cb 0.11 -0.43 0.27 0.00 -0.61 0.00 0.00 39.78 39.11 3hqn n ASN 432 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3hqn n ILE 433 N -1.43 0.94 -3.88 2.41 -5.35 -1.17 -4.82 119.36 106.06 3hqn n ILE 433 Ca 0.02 -0.97 -0.36 0.00 -0.27 0.00 0.00 62.75 61.18 3hqn n ILE 433 Cb 0.08 0.56 -0.11 0.00 -1.74 0.00 0.00 39.64 38.43 3hqn n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3hqn s THR 434 N -1.04 4.72 0.62 7.28 2.01 -0.48 -4.66 115.64 124.08 3hqn s THR 434 Ca 0.41 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 3hqn s THR 434 Cb 0.22 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 3hqn s THR 434 CO 0.28 0.39 1.15 0.00 -0.69 0.00 0.00 174.62 175.76 3hqn s GLN 435 N 0.94 2.89 -0.12 4.92 1.03 -1.26 -3.71 119.66 124.34 3hqn s GLN 435 Ca 0.04 1.62 0.00 0.00 0.04 0.00 0.00 55.36 57.06 3hqn s GLN 435 Cb -0.14 -1.94 0.00 0.00 0.03 0.00 0.00 33.01 30.96 3hqn s GLN 435 CO 0.03 -1.22 0.00 0.41 -2.54 0.00 0.00 175.29 171.97 3hqn n GLY 436 N 0.07 0.40 3.29 2.60 0.00 0.12 -4.90 105.19 106.77 3hqn n GLY 436 Ca 0.12 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3hqn n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqn s VAL 437 N -1.71 2.20 0.02 1.61 1.01 -1.24 -1.14 120.40 121.15 3hqn s VAL 437 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.05 3hqn s VAL 437 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3hqn s VAL 437 CO 0.00 0.57 -0.25 -1.61 0.00 0.00 0.00 175.10 173.81 3hqn s GLU 438 N -0.19 1.79 0.08 2.72 2.02 0.47 -4.93 118.70 120.66 3hqn s GLU 438 Ca -0.02 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.02 3hqn s GLU 438 Cb -0.14 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 3hqn s GLU 438 CO 0.03 0.49 0.03 -1.12 0.02 0.00 0.00 175.26 174.72 3hqn s SER 439 N -0.96 5.24 -0.10 -0.19 0.01 -1.26 -0.32 113.70 116.12 3hqn s SER 439 Ca 0.10 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.28 3hqn s SER 439 Cb -0.09 -1.32 0.01 0.00 0.21 0.00 0.00 66.02 64.83 3hqn s SER 439 CO 0.01 0.18 -0.14 -0.69 0.41 0.00 0.00 173.24 173.01 3hqn s VAL 440 N -1.32 1.41 -0.01 3.43 1.01 0.50 -4.91 120.40 120.50 3hqn s VAL 440 Ca 0.27 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 3hqn s VAL 440 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3hqn s VAL 440 CO 0.19 0.42 0.79 0.12 0.00 0.00 0.00 175.10 176.62 3hqn s PHE 441 N 0.92 3.66 -0.26 5.22 5.36 -1.26 -1.82 117.98 129.80 3hqn s PHE 441 Ca -0.08 1.44 -0.02 0.00 -0.96 0.00 0.00 56.93 57.31 3hqn s PHE 441 Cb -0.15 -2.88 0.03 0.00 -0.34 0.00 0.00 43.02 39.68 3hqn s PHE 441 CO -0.00 0.14 -0.04 0.12 -1.46 0.00 0.00 175.22 173.98 3hqn s PHE 442 N 0.49 3.13 -1.30 10.12 5.36 0.74 -4.90 117.98 131.62 3hqn s PHE 442 Ca 0.41 -1.65 -0.18 0.00 -0.96 0.00 0.00 56.93 54.55 3hqn s PHE 442 Cb -0.20 -2.07 0.07 0.00 -0.34 0.00 0.00 43.02 40.49 3hqn s PHE 442 CO 0.22 -0.75 1.73 -3.47 -1.46 0.00 0.00 175.22 171.49 3hqn n ASP 443 N 4.65 4.94 0.28 6.13 -0.08 -1.26 -4.24 116.55 126.96 3hqn n ASP 443 Ca -0.15 -2.92 0.11 0.00 -1.51 0.00 0.00 54.79 50.32 3hqn n ASP 443 Cb 0.46 -1.74 0.76 0.00 2.34 0.00 0.00 41.12 42.94 3hqn n ASP 443 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hqn h ALA 444 N 7.54 1.76 0.07 -1.67 0.00 -1.87 0.14 119.26 125.24 3hqn h ALA 444 Ca 0.45 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.37 3hqn h ALA 444 Cb 0.87 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3hqn h ALA 444 CO 1.46 0.01 -0.32 -0.44 0.00 0.00 0.00 179.25 179.96 3hqn h ASP 445 N 0.00 -0.92 0.47 0.00 3.32 -1.88 0.85 116.42 118.25 3hqn h ASP 445 Ca -0.00 0.11 -0.30 0.00 0.02 0.00 0.00 57.03 56.86 3hqn h ASP 445 Cb 0.02 0.36 0.02 0.00 0.22 0.00 0.00 39.33 39.95 3hqn h ASP 445 CO 0.00 -0.39 -1.35 0.11 -1.72 0.00 0.00 179.24 175.89 3hqn h LYS 446 N -0.51 0.39 -0.01 3.56 1.79 -1.91 -3.36 116.57 116.54 3hqn h LYS 446 Ca 0.04 -0.67 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 3hqn h LYS 446 Cb 0.56 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 3hqn h LYS 446 CO -0.22 1.32 -0.46 1.28 -1.08 0.00 0.00 179.45 180.30 3hqn n LEU 447 N -3.61 1.06 0.00 2.94 4.77 0.01 -5.07 117.00 117.09 3hqn n LEU 447 Ca -0.12 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3hqn n LEU 447 Cb 1.06 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3hqn n LEU 447 CO 0.57 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3hqn n GLY 448 N 1.42 1.58 0.07 -0.72 0.00 0.29 -4.77 105.19 103.05 3hqn n GLY 448 Ca 0.09 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.53 3hqn n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqn n HIS 449 N 1.59 0.39 -3.71 1.61 8.25 -1.24 -4.57 115.22 117.54 3hqn n HIS 449 Ca 0.00 0.17 -0.23 0.00 -0.26 0.00 0.00 57.72 57.39 3hqn n HIS 449 Cb 0.00 -0.77 0.03 0.00 1.12 0.00 0.00 29.99 30.37 3hqn n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hqn n ASP 450 N -1.87 -2.08 -0.32 0.41 2.03 -1.26 -4.85 116.55 108.60 3hqn n ASP 450 Ca 0.02 -0.88 0.13 0.00 0.52 0.00 0.00 54.79 54.58 3hqn n ASP 450 Cb 0.15 -3.84 0.36 0.00 -0.72 0.00 0.00 41.12 37.07 3hqn n ASP 450 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hqn h GLU 451 N -1.82 0.69 -0.06 -0.67 9.09 -2.01 -1.03 114.58 118.78 3hqn h GLU 451 Ca -0.62 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.74 3hqn h GLU 451 Cb 1.36 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3hqn h GLU 451 CO 0.55 0.46 0.00 0.41 0.05 0.00 0.00 179.01 180.48 3hqn n GLY 452 N -1.38 -0.05 3.22 1.06 0.00 -1.26 -4.92 105.19 101.86 3hqn n GLY 452 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hqn n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqn n LYS 453 N 0.07 0.00 -0.31 1.61 4.01 -0.39 -4.88 118.16 118.28 3hqn n LYS 453 Ca 0.18 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.96 3hqn n LYS 453 Cb 0.31 -2.32 0.14 0.00 -0.51 0.00 0.00 35.03 32.66 3hqn n LYS 453 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3hqn h GLU 454 N 2.14 1.19 -0.32 1.97 5.08 -1.91 -1.40 114.58 121.32 3hqn h GLU 454 Ca 0.00 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 3hqn h GLU 454 Cb 0.00 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 3hqn h GLU 454 CO 0.00 0.83 -0.33 0.45 -1.00 0.00 0.00 179.01 178.96 3hqn h HIS 455 N 1.21 0.94 -0.39 4.33 3.86 -1.90 -1.40 115.15 121.81 3hqn h HIS 455 Ca 0.32 -0.29 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 3hqn h HIS 455 Cb -0.06 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3hqn h HIS 455 CO 0.00 1.06 -0.26 0.00 0.86 0.00 0.00 177.93 179.60 3hqn h ARG 456 N 0.56 0.82 -0.22 2.45 3.08 -1.88 0.17 114.38 119.36 3hqn h ARG 456 Ca 0.05 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 3hqn h ARG 456 Cb 0.91 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3hqn h ARG 456 CO 0.08 0.99 0.13 0.28 -1.07 0.00 0.00 179.97 180.38 3hqn h VAL 457 N 0.70 1.09 -0.67 2.04 2.07 -1.26 -1.26 116.25 118.96 3hqn h VAL 457 Ca 0.09 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3hqn h VAL 457 Cb 0.80 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3hqn h VAL 457 CO 0.07 0.08 0.10 0.00 0.02 0.00 0.00 177.57 177.84 3hqn h ALA 458 N 1.04 0.91 -0.65 1.67 0.00 -1.09 -1.07 119.26 120.07 3hqn h ALA 458 Ca 0.08 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hqn h ALA 458 Cb 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3hqn h ALA 458 CO -0.01 0.67 0.43 0.00 0.00 0.00 0.00 179.25 180.33 3hqn h ALA 459 N 1.06 1.65 -0.18 0.00 0.00 -0.76 0.13 119.26 121.16 3hqn h ALA 459 Ca 0.20 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hqn h ALA 459 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hqn h ALA 459 CO 0.01 0.28 -0.07 0.78 0.00 0.00 0.00 179.25 180.25 3hqn h GLY 460 N 0.76 0.40 0.99 0.00 0.00 -0.38 -1.23 103.07 103.61 3hqn h GLY 460 Ca 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3hqn h GLY 460 CO -0.07 0.32 0.29 -2.08 0.00 0.00 0.00 176.54 175.00 3hqn h VAL 461 N 0.07 1.19 -0.46 4.60 2.07 -0.97 -2.20 116.25 120.55 3hqn h VAL 461 Ca 0.04 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3hqn h VAL 461 Cb 0.53 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3hqn h VAL 461 CO 0.02 0.21 0.20 -0.08 0.02 0.00 0.00 177.57 177.95 3hqn h GLU 462 N 0.76 0.40 -0.35 1.57 4.57 -0.66 0.06 114.58 120.93 3hqn h GLU 462 Ca 0.20 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 3hqn h GLU 462 Cb 0.08 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 3hqn h GLU 462 CO -0.03 0.26 0.00 0.35 -1.18 0.00 0.00 179.01 178.42 3hqn h PHE 463 N 0.41 -0.01 -0.70 0.92 3.57 -1.01 0.86 116.94 120.97 3hqn h PHE 463 Ca 0.21 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3hqn h PHE 463 Cb 0.16 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3hqn h PHE 463 CO -0.12 -0.06 0.47 0.00 -2.23 0.00 0.00 178.31 176.36 3hqn h ALA 464 N 1.30 0.89 0.08 2.41 0.00 -0.98 -1.92 119.26 121.05 3hqn h ALA 464 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hqn h ALA 464 Cb 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hqn h ALA 464 CO -0.28 0.31 -0.05 0.87 0.00 0.00 0.00 179.25 180.09 3hqn h LYS 465 N 0.95 -0.13 0.00 0.00 1.57 -0.38 0.17 116.57 118.74 3hqn h LYS 465 Ca 0.26 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3hqn h LYS 465 Cb -0.10 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hqn h LYS 465 CO -0.06 -0.09 -0.05 0.66 -0.57 0.00 0.00 179.45 179.34 3hqn h SER 466 N -0.13 0.00 -0.02 0.86 4.64 -0.59 0.20 113.55 118.51 3hqn h SER 466 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hqn h SER 466 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3hqn h SER 466 CO -0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3hqn n LYS 467 N -3.65 1.51 -1.00 4.77 4.76 -0.74 -4.93 118.16 118.88 3hqn n LYS 467 Ca -0.02 -0.74 -0.00 0.00 -2.87 0.00 0.00 58.31 54.67 3hqn n LYS 467 Cb 0.15 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3hqn n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqn n GLY 468 N 1.13 0.47 0.22 0.72 0.00 0.71 -4.92 105.19 103.52 3hqn n GLY 468 Ca 0.20 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 3hqn n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hqn h TYR 469 N 0.00 1.04 -3.48 1.61 0.05 -1.15 -3.45 116.97 111.60 3hqn h TYR 469 Ca -0.00 -0.45 -0.50 0.00 0.05 0.00 0.00 58.73 57.83 3hqn h TYR 469 Cb 0.06 -0.17 -0.19 0.00 1.01 0.00 0.00 36.73 37.45 3hqn h TYR 469 CO 0.04 1.28 -0.78 0.14 -1.05 0.00 0.00 178.16 177.78 3hqn s VAL 470 N -3.80 1.68 0.23 -2.88 -7.23 -1.20 -4.76 120.40 102.44 3hqn s VAL 470 Ca -0.11 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 3hqn s VAL 470 Cb 0.08 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 3hqn s VAL 470 CO 0.90 -0.29 0.09 0.00 -0.31 0.00 0.00 175.10 175.48 3hqn s GLN 471 N -2.60 1.31 0.06 4.82 -2.07 -1.26 -4.30 119.66 115.62 3hqn s GLN 471 Ca 0.12 -1.70 -0.37 0.00 -1.82 0.00 0.00 55.36 51.60 3hqn s GLN 471 Cb -0.06 -0.14 -0.19 0.00 -1.09 0.00 0.00 33.01 31.53 3hqn s GLN 471 CO 0.05 -0.29 0.95 2.41 -1.32 0.00 0.00 175.29 177.09 3hqn n THR 472 N -0.38 0.51 0.00 3.63 -1.04 -1.26 -1.54 114.28 114.20 3hqn n THR 472 Ca -0.01 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3hqn n THR 472 Cb 0.66 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 3hqn n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hqn n GLY 473 N 1.67 2.22 3.90 3.41 0.00 0.54 -4.98 105.19 111.94 3hqn n GLY 473 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3hqn n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqn s ASP 474 N -2.15 5.33 0.03 1.61 1.01 -0.59 -4.79 116.67 117.13 3hqn s ASP 474 Ca 0.00 0.88 -0.10 0.00 0.71 0.00 0.00 52.55 54.04 3hqn s ASP 474 Cb 0.00 -1.70 -0.05 0.00 1.01 0.00 0.00 42.92 42.18 3hqn s ASP 474 CO 0.00 -1.33 0.36 -0.31 0.21 0.00 0.00 175.17 174.10 3hqn s TYR 475 N -3.25 3.62 -0.04 4.23 2.02 -1.26 -0.59 117.35 122.07 3hqn s TYR 475 Ca 0.57 0.78 0.02 0.00 -0.37 0.00 0.00 57.07 58.08 3hqn s TYR 475 Cb -0.11 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 3hqn s TYR 475 CO 0.48 0.58 -0.10 0.00 -1.57 0.00 0.00 175.55 174.94 3hqn s VAL 477 N 0.47 5.01 -0.04 0.00 1.01 -0.61 -0.27 120.40 125.97 3hqn s VAL 477 Ca -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3hqn s VAL 477 Cb -0.12 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3hqn s VAL 477 CO 0.02 0.19 0.15 -0.69 0.00 0.00 0.00 175.10 174.77 3hqn s VAL 478 N 1.70 5.32 -0.05 2.92 1.01 0.50 -1.02 120.40 130.78 3hqn s VAL 478 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 3hqn s VAL 478 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3hqn s VAL 478 CO 0.09 0.42 0.12 -0.51 0.00 0.00 0.00 175.10 175.22 3hqn s ILE 479 N -1.21 -0.01 -0.03 2.22 -1.16 0.67 -0.69 121.20 121.00 3hqn s ILE 479 Ca 0.23 0.03 0.05 0.00 -0.51 0.00 0.00 60.65 60.44 3hqn s ILE 479 Cb -0.12 -0.18 -0.01 0.00 0.61 0.00 0.00 42.46 42.76 3hqn s ILE 479 CO 0.13 0.01 -0.17 -2.28 -2.81 0.00 0.00 174.94 169.82 3hqn s HIS 480 N 0.24 1.65 -0.38 3.50 5.65 -0.49 -1.28 115.29 124.17 3hqn s HIS 480 Ca -0.01 -0.41 0.10 0.00 0.25 0.00 0.00 55.06 54.98 3hqn s HIS 480 Cb -0.03 -1.09 0.29 0.00 -1.18 0.00 0.00 32.58 30.57 3hqn s HIS 480 CO -0.01 -0.11 0.62 0.00 -0.65 0.00 0.00 174.74 174.59 3hqn n ALA 481 N 2.94 2.19 -2.38 1.58 0.00 -1.26 -1.10 120.51 122.49 3hqn n ALA 481 Ca -0.17 -3.37 -0.42 0.00 0.00 0.00 0.00 53.44 49.48 3hqn n ALA 481 Cb 0.53 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 3hqn n ALA 481 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hqn s ASP 482 N -1.73 7.00 -1.38 0.00 -1.08 -1.26 -4.80 116.67 113.42 3hqn s ASP 482 Ca 0.37 1.97 -0.09 0.00 -0.52 0.00 0.00 52.55 54.28 3hqn s ASP 482 Cb 0.25 -2.57 0.09 0.00 -1.46 0.00 0.00 42.92 39.24 3hqn s ASP 482 CO -0.10 -0.58 2.22 0.00 0.52 0.00 0.00 175.17 177.23 3hqn n HIS 483 N 4.79 2.91 -1.16 -5.34 1.44 -1.26 -4.88 115.22 111.72 3hqn n HIS 483 Ca 0.11 -2.88 0.00 0.00 -2.01 0.00 0.00 57.72 52.95 3hqn n HIS 483 Cb 0.45 -2.12 -0.00 0.00 0.12 0.00 0.00 29.99 28.44 3hqn n HIS 483 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hqn n ALA 489 N 3.80 -1.62 -3.50 1.59 0.00 -1.26 -5.18 120.51 114.34 3hqn n ALA 489 Ca 0.53 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 54.23 3hqn n ALA 489 Cb 0.32 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 3hqn n ALA 489 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hqn s ASN 490 N -4.83 0.27 0.00 0.00 2.20 -1.26 -4.09 114.94 107.24 3hqn s ASN 490 Ca 0.00 -1.21 0.00 0.00 -0.94 0.00 0.00 52.86 50.71 3hqn s ASN 490 Cb 0.00 0.78 0.00 0.00 -2.00 0.00 0.00 41.25 40.03 3hqn s ASN 490 CO 0.00 -1.52 0.00 0.00 -2.94 0.00 0.00 177.10 172.64 3hqn n GLN 491 N -0.53 0.00 -4.43 3.55 10.64 -0.26 -4.96 117.38 121.39 3hqn n GLN 491 Ca -0.05 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.87 3hqn n GLN 491 Cb 0.60 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.85 3hqn n GLN 491 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 3hqn s THR 492 N -0.65 1.76 -0.00 -0.39 2.01 -1.26 -1.39 115.64 115.72 3hqn s THR 492 Ca 0.00 -1.45 -0.01 0.00 0.31 0.00 0.00 61.69 60.55 3hqn s THR 492 Cb 0.00 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.93 3hqn s THR 492 CO 0.00 0.05 0.02 -0.13 -0.69 0.00 0.00 174.62 173.87 3hqn s ARG 493 N -1.66 0.11 -0.42 4.92 0.52 0.14 -4.99 118.95 117.57 3hqn s ARG 493 Ca 0.08 -0.13 -0.10 0.00 -0.52 0.00 0.00 55.73 55.05 3hqn s ARG 493 Cb -0.10 0.04 0.07 0.00 0.52 0.00 0.00 34.95 35.49 3hqn s ARG 493 CO 0.04 -0.02 0.27 0.42 0.02 0.00 0.00 175.30 176.03 3hqn s ILE 494 N -0.39 4.43 -0.17 1.52 1.01 -1.26 -0.37 121.20 125.97 3hqn s ILE 494 Ca -0.04 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.22 3hqn s ILE 494 Cb -0.03 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 3hqn s ILE 494 CO -0.00 -0.47 0.24 -0.22 0.00 0.00 0.00 174.94 174.49 3hqn s LEU 495 N 1.48 4.24 -0.31 2.97 0.20 0.63 -4.91 118.68 122.97 3hqn s LEU 495 Ca 0.03 0.43 -0.29 0.00 0.69 0.00 0.00 54.13 54.99 3hqn s LEU 495 Cb -0.23 -2.29 0.01 0.00 -0.43 0.00 0.00 46.19 43.26 3hqn s LEU 495 CO 0.04 0.13 1.12 -0.22 -0.29 0.00 0.00 176.35 177.13 3hqn s LEU 496 N 0.39 3.93 0.15 -0.68 2.96 -1.26 -0.79 118.68 123.37 3hqn s LEU 496 Ca 0.14 1.09 -0.31 0.00 -0.22 0.00 0.00 54.13 54.83 3hqn s LEU 496 Cb -0.12 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 3hqn s LEU 496 CO 0.02 -0.92 1.32 -0.69 -1.32 0.00 0.00 176.35 174.77 3hqn s VAL 497 N 3.78 3.35 -2.55 1.68 1.01 0.24 -4.89 120.40 123.02 3hqn s VAL 497 Ca 0.48 1.04 0.28 0.00 0.00 0.00 0.00 61.98 63.77 3hqn s VAL 497 Cb -0.13 -3.67 0.51 0.00 0.00 0.00 0.00 36.38 33.10 3hqn s VAL 497 CO 0.17 0.12 1.69 -0.62 0.00 0.00 0.00 175.10 176.47