#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 1.24 -0.04 -1.46 5.75 -1.99 -2.15 115.11 116.46 3hqn h GLN 2 Ca 0.00 -0.12 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3hqn h GLN 2 Cb 0.00 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 3hqn h GLN 2 CO 0.00 0.87 -0.11 1.25 -2.65 0.00 0.00 178.83 178.19 3hqn h LEU 3 N 1.26 -0.34 -1.34 -2.39 6.46 -2.00 0.22 115.31 117.17 3hqn h LEU 3 Ca 0.33 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.12 3hqn h LEU 3 Cb -0.04 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3hqn h LEU 3 CO -0.06 -0.16 0.17 0.00 -0.62 0.00 0.00 178.44 177.77 3hqn h ALA 4 N 0.83 1.48 -0.12 1.25 0.00 -2.00 -2.52 119.26 118.18 3hqn h ALA 4 Ca 0.06 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hqn h ALA 4 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hqn h ALA 4 CO -0.15 0.40 -0.55 1.25 0.00 0.00 0.00 179.25 180.20 3hqn h HIS 5 N 0.62 0.46 -0.72 0.00 -0.00 -0.55 -2.74 115.15 112.23 3hqn h HIS 5 Ca 0.15 -0.16 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3hqn h HIS 5 Cb 0.13 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 3hqn h HIS 5 CO 0.01 0.84 0.47 -0.91 -0.00 0.00 0.00 177.93 178.34 3hqn h ASN 6 N 0.28 0.76 0.08 3.26 2.35 -0.18 -2.55 115.58 119.58 3hqn h ASN 6 Ca 0.00 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3hqn h ASN 6 Cb 1.06 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 3hqn h ASN 6 CO 0.09 0.53 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.25 3hqn h LEU 7 N 0.88 0.01 -1.66 1.61 3.38 -1.37 -2.54 115.31 115.63 3hqn h LEU 7 Ca 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3hqn h LEU 7 Cb 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hqn h LEU 7 CO -0.08 0.10 -0.03 0.35 0.09 0.00 0.00 178.44 178.88 3hqn n THR 8 N -4.43 0.00 -2.57 0.22 -2.24 -0.96 -4.98 114.28 99.32 3hqn n THR 8 Ca -0.03 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 3hqn n THR 8 Cb 0.17 1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.03 3.77 -0.06 3.22 1.43 -0.96 -5.09 118.68 118.97 3hqn s LEU 9 Ca 0.30 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 3hqn s LEU 9 Cb 0.20 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.91 3hqn s LEU 9 CO 0.32 -0.54 -0.11 -0.55 0.23 0.00 0.00 176.35 175.70 3hqn s SER 10 N -2.56 1.56 0.00 2.29 0.15 -1.26 -5.01 113.70 108.87 3hqn s SER 10 Ca 0.61 -0.26 0.20 0.00 0.70 0.00 0.00 55.95 57.21 3hqn s SER 10 Cb -0.11 -0.68 1.03 0.00 -1.71 0.00 0.00 66.02 64.56 3hqn s SER 10 CO 0.23 0.03 1.63 2.30 1.20 0.00 0.00 173.24 178.62 3hqn n ILE 11 N 3.75 0.35 1.16 6.45 -5.35 -1.26 -2.38 119.36 122.09 3hqn n ILE 11 Ca -0.23 0.09 0.13 0.00 -0.27 0.00 0.00 62.75 62.47 3hqn n ILE 11 Cb 0.52 -0.76 0.34 0.00 -1.74 0.00 0.00 39.64 38.00 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 -1.26 0.00 -1.85 4.28 3.72 -1.26 -4.93 117.46 116.15 3hqn n PHE 12 Ca 0.10 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.17 3hqn n PHE 12 Cb 0.15 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 38.56 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 -2.68 5.39 0.56 4.37 1.01 -1.00 -5.02 116.67 119.30 3hqn s ASP 13 Ca 0.20 1.89 -0.21 0.00 0.71 0.00 0.00 52.55 55.14 3hqn s ASP 13 Cb 0.19 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3hqn s ASP 13 CO 0.58 -1.44 1.35 -2.65 0.21 0.00 0.00 175.17 173.23 3hqn n PRO 14 N -2.33 1.62 -1.57 8.23 -0.02 -1.26 -5.02 135.00 134.64 3hqn n PRO 14 Ca 0.09 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 3hqn n PRO 14 Cb 0.52 -2.57 0.13 0.00 -0.02 0.00 0.00 33.50 31.56 3hqn n PRO 14 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hqn s VAL 15 N -1.30 2.08 0.86 -1.45 -7.23 -1.26 -5.01 120.40 107.09 3hqn s VAL 15 Ca 0.73 0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.80 3hqn s VAL 15 Cb -0.41 -2.80 0.08 0.00 0.56 0.00 0.00 36.38 33.81 3hqn s VAL 15 CO 0.48 -0.03 0.92 0.00 -0.31 0.00 0.00 175.10 176.16 3hqn n ALA 16 N -3.70 -1.03 1.93 1.32 0.00 -1.26 -4.91 120.51 112.86 3hqn n ALA 16 Ca 0.07 -0.45 0.08 0.00 0.00 0.00 0.00 53.44 53.14 3hqn n ALA 16 Cb 0.59 -2.08 0.47 0.00 0.00 0.00 0.00 19.45 18.43 3hqn n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hqn n ASN 17 N -2.77 0.15 -3.81 0.00 2.04 -1.26 -4.86 115.26 104.76 3hqn n ASN 17 Ca 0.11 -1.51 -0.09 0.00 -0.44 0.00 0.00 54.58 52.64 3hqn n ASN 17 Cb 0.52 -0.01 -0.07 0.00 -2.53 0.00 0.00 39.78 37.69 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 -1.98 0.06 -0.13 -2.53 -0.85 -1.26 -5.03 117.35 105.63 3hqn s TYR 18 Ca 0.25 -0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 56.37 3hqn s TYR 18 Cb 0.12 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 3hqn s TYR 18 CO 0.19 -0.56 -0.12 0.50 -1.52 0.00 0.00 175.55 174.04 3hqn s ARG 19 N -3.63 3.39 -0.12 -3.49 3.52 -1.26 -4.98 118.95 112.40 3hqn s ARG 19 Ca 0.03 -0.68 -0.14 0.00 -0.13 0.00 0.00 55.73 54.81 3hqn s ARG 19 Cb 0.03 -2.66 -0.26 0.00 -1.56 0.00 0.00 34.95 30.51 3hqn s ARG 19 CO -0.10 0.20 0.48 0.00 -0.81 0.00 0.00 175.30 175.07 3hqn h ALA 20 N 6.76 0.24 -2.78 6.12 0.00 -1.95 -3.44 119.26 124.22 3hqn h ALA 20 Ca -0.27 -1.17 -0.53 0.00 0.00 0.00 0.00 54.91 52.94 3hqn h ALA 20 Cb 1.21 0.56 0.12 0.00 0.00 0.00 0.00 17.79 19.68 3hqn h ALA 20 CO 0.56 0.93 0.45 0.00 0.00 0.00 0.00 179.25 181.20 3hqn s ALA 21 N -2.49 2.48 0.05 0.00 0.00 -1.26 -0.31 121.76 120.23 3hqn s ALA 21 Ca -0.21 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.77 3hqn s ALA 21 Cb 0.05 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3hqn s ALA 21 CO 0.75 -1.26 -0.18 1.03 0.00 0.00 0.00 175.76 176.10 3hqn s ARG 22 N -3.47 2.03 -0.16 0.00 1.81 -0.29 -4.91 118.95 113.96 3hqn s ARG 22 Ca 0.76 -1.01 -0.00 0.00 -1.72 0.00 0.00 55.73 53.75 3hqn s ARG 22 Cb -0.29 -2.18 -0.00 0.00 -0.45 0.00 0.00 34.95 32.02 3hqn s ARG 22 CO 0.35 0.53 -0.14 0.42 -0.68 0.00 0.00 175.30 175.79 3hqn s ILE 23 N -0.97 2.82 -0.15 1.52 1.01 -1.26 -1.70 121.20 122.47 3hqn s ILE 23 Ca 0.15 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 3hqn s ILE 23 Cb -0.11 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3hqn s ILE 23 CO 0.06 0.51 0.08 -0.63 0.00 0.00 0.00 174.94 174.95 3hqn s ILE 24 N 0.82 4.94 -0.05 2.92 1.01 -0.39 -1.22 121.20 129.23 3hqn s ILE 24 Ca -0.05 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.67 3hqn s ILE 24 Cb -0.15 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 3hqn s ILE 24 CO 0.00 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.25 3hqn s THR 26 N -0.08 4.95 -0.04 0.00 2.01 -0.65 0.08 115.64 121.91 3hqn s THR 26 Ca -0.04 1.52 -0.15 0.00 0.31 0.00 0.00 61.69 63.33 3hqn s THR 26 Cb -0.13 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 3hqn s THR 26 CO 0.03 0.28 0.40 -0.63 -0.69 0.00 0.00 174.62 174.01 3hqn s ILE 27 N 0.54 5.09 0.00 1.82 -1.09 -0.91 -2.37 121.20 124.29 3hqn s ILE 27 Ca 0.38 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3hqn s ILE 27 Cb -0.19 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 3hqn s ILE 27 CO 0.20 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 3hqn n GLY 28 N 2.18 3.75 0.31 6.18 0.00 -1.23 -4.70 105.19 111.69 3hqn n GLY 28 Ca -0.13 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.29 3hqn n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqn h PRO 29 N 0.00 0.49 0.00 1.61 0.11 -1.82 -0.12 132.00 132.27 3hqn h PRO 29 Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3hqn h PRO 29 Cb 0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 3hqn h PRO 29 CO 0.00 0.32 -0.04 0.77 -0.21 0.00 0.00 178.00 178.84 3hqn h SER 30 N 0.50 0.00 0.00 -2.05 0.02 -1.54 -3.38 113.55 107.10 3hqn h SER 30 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3hqn h SER 30 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3hqn h SER 30 CO -0.46 0.04 0.00 0.35 -1.14 0.00 0.00 176.83 175.63 3hqn n THR 31 N -3.22 0.14 0.20 -2.27 -2.24 -0.17 -4.85 114.28 101.86 3hqn n THR 31 Ca -0.01 -0.18 0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3hqn n THR 31 Cb 0.24 1.25 0.13 0.00 -2.10 0.00 0.00 70.33 69.85 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 -7.29 -0.78 4.15 -1.45 -3.31 115.11 106.43 3hqn h GLN 32 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 3hqn h GLN 32 Cb 0.68 0.00 0.16 0.00 0.21 0.00 0.00 27.48 28.53 3hqn h GLN 32 CO 0.00 0.11 0.28 -1.54 -1.93 0.00 0.00 178.83 175.76 3hqn s SER 33 N -6.25 3.91 0.19 -0.69 1.04 -1.26 -4.80 113.70 105.84 3hqn s SER 33 Ca 0.06 1.97 -0.12 0.00 0.48 0.00 0.00 55.95 58.34 3hqn s SER 33 Cb 0.06 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.76 3hqn s SER 33 CO 0.69 -2.44 1.84 -0.37 0.98 0.00 0.00 173.24 173.94 3hqn h VAL 34 N -1.38 1.10 -0.36 5.02 -1.51 -1.90 -0.97 116.25 116.25 3hqn h VAL 34 Ca -0.43 -0.26 -0.09 0.00 -1.23 0.00 0.00 66.70 64.68 3hqn h VAL 34 Cb 1.25 0.27 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 3hqn h VAL 34 CO 0.48 0.14 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.48 3hqn h GLU 35 N 0.77 0.65 -0.13 5.19 4.39 -1.95 -1.46 114.58 122.04 3hqn h GLU 35 Ca 0.24 -0.22 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 3hqn h GLU 35 Cb -0.02 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3hqn h GLU 35 CO -0.08 0.77 -0.56 0.00 -1.16 0.00 0.00 179.01 177.98 3hqn h ALA 36 N 1.25 0.79 -0.46 3.43 0.00 -1.74 -1.89 119.26 120.64 3hqn h ALA 36 Ca 0.10 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 3hqn h ALA 36 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hqn h ALA 36 CO 0.04 0.70 -0.14 -0.07 0.00 0.00 0.00 179.25 179.77 3hqn h LEU 37 N 0.31 0.86 -0.55 0.00 3.38 -0.86 -1.43 115.31 117.02 3hqn h LEU 37 Ca 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3hqn h LEU 37 Cb 1.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3hqn h LEU 37 CO 0.10 1.01 0.31 0.11 0.09 0.00 0.00 178.44 180.05 3hqn h LYS 38 N 0.77 0.76 -0.53 1.13 1.57 -1.07 -0.93 116.57 118.27 3hqn h LYS 38 Ca 0.12 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3hqn h LYS 38 Cb 0.66 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 3hqn h LYS 38 CO 0.05 0.58 0.16 0.78 -0.57 0.00 0.00 179.45 180.45 3hqn h GLY 39 N 0.74 0.69 0.92 3.86 0.00 -0.92 -0.35 103.07 108.00 3hqn h GLY 39 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3hqn h GLY 39 CO -0.03 -0.04 0.10 1.41 0.00 0.00 0.00 176.54 177.98 3hqn h LEU 40 N 0.31 0.27 -0.27 3.11 3.38 -0.89 0.11 115.31 121.34 3hqn h LEU 40 Ca 0.26 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3hqn h LEU 40 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3hqn h LEU 40 CO -0.30 0.32 0.00 0.40 0.09 0.00 0.00 178.44 178.95 3hqn h ILE 41 N 0.21 0.81 0.00 1.22 2.04 -0.82 -0.59 117.51 120.37 3hqn h ILE 41 Ca 0.07 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3hqn h ILE 41 Cb 0.12 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3hqn h ILE 41 CO -0.01 0.02 -0.19 1.56 0.00 0.00 0.00 178.15 179.52 3hqn h GLN 42 N 0.09 0.00 0.00 2.37 4.20 -0.88 -2.07 115.11 118.82 3hqn h GLN 42 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3hqn h GLN 42 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3hqn h GLN 42 CO -0.22 0.19 -0.04 0.77 -0.67 0.00 0.00 178.83 178.86 3hqn h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.04 -3.47 113.55 111.52 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 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3hqn h SER 43 CO 0.03 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 3hqn n GLY 44 N 0.75 0.31 3.71 -3.77 0.00 -0.56 -3.75 105.19 101.88 3hqn n GLY 44 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 4.36 -0.02 1.61 -2.45 -0.34 -4.35 119.30 118.10 3hqn s MET 45 Ca 0.00 1.95 0.15 0.00 -1.25 0.00 0.00 55.69 56.55 3hqn s MET 45 Cb 0.00 -3.31 -0.24 0.00 1.25 0.00 0.00 34.83 32.53 3hqn s MET 45 CO 0.00 -0.39 0.35 0.43 1.05 0.00 0.00 175.02 176.47 3hqn n SER 46 N 4.08 1.44 -3.87 1.11 7.64 -0.35 -4.63 113.62 119.03 3hqn n SER 46 Ca 0.11 -0.05 -0.18 0.00 1.01 0.00 0.00 58.87 59.76 3hqn n SER 46 Cb 0.44 1.67 -0.16 0.00 -1.01 0.00 0.00 64.21 65.14 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 -3.03 0.40 -0.29 0.44 1.01 -1.10 -2.56 120.40 115.26 3hqn s VAL 47 Ca -0.05 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3hqn s VAL 47 Cb 0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3hqn s VAL 47 CO 0.64 0.19 0.35 0.00 0.00 0.00 0.00 175.10 176.27 3hqn s ALA 48 N 0.86 3.54 -0.18 5.51 0.00 -0.28 -0.83 121.76 130.38 3hqn s ALA 48 Ca -0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 3hqn s ALA 48 Cb -0.13 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3hqn s ALA 48 CO -0.00 -0.73 0.11 0.50 0.00 0.00 0.00 175.76 175.63 3hqn s ARG 49 N 2.03 4.02 -0.27 0.00 3.52 0.11 -0.94 118.95 127.42 3hqn s ARG 49 Ca 0.13 -0.25 -0.09 0.00 -0.13 0.00 0.00 55.73 55.39 3hqn s ARG 49 Cb -0.16 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 3hqn s ARG 49 CO 0.10 0.35 0.11 -1.64 -0.81 0.00 0.00 175.30 173.42 3hqn s MET 50 N 0.18 3.70 -0.57 5.12 -1.94 0.19 -2.13 119.30 123.86 3hqn s MET 50 Ca 0.07 -0.46 -0.22 0.00 -1.71 0.00 0.00 55.69 53.37 3hqn s MET 50 Cb -0.12 -3.45 0.05 0.00 2.01 0.00 0.00 34.83 33.33 3hqn s MET 50 CO -0.01 -0.21 0.86 1.21 -0.01 0.00 0.00 175.02 176.86 3hqn s ASN 51 N 1.66 6.27 0.00 3.03 3.84 -1.26 -1.12 114.94 127.35 3hqn s ASN 51 Ca 0.06 -0.68 0.14 0.00 0.21 0.00 0.00 52.86 52.60 3hqn s ASN 51 Cb -0.16 -2.39 0.84 0.00 -0.55 0.00 0.00 41.25 38.99 3hqn s ASN 51 CO 0.06 -1.20 1.44 0.49 -2.79 0.00 0.00 177.10 175.10 3hqn n PHE 52 N 7.18 0.00 0.24 0.43 3.01 0.08 -3.00 117.46 125.40 3hqn n PHE 52 Ca -0.02 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.61 3hqn n PHE 52 Cb 0.46 0.00 0.87 0.00 -0.01 0.00 0.00 39.48 40.81 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 0.00 0.00 -5.21 4.37 0.02 -1.82 -3.38 113.55 107.52 3hqn h SER 53 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3hqn h SER 53 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 3hqn h SER 53 CO 0.00 0.00 -0.64 -1.00 -1.14 0.00 0.00 176.83 174.05 3hqn s HIS 54 N -4.58 0.45 0.00 3.45 3.76 -1.16 -5.02 115.29 112.19 3hqn s HIS 54 Ca -0.05 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 3hqn s HIS 54 Cb 0.15 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.50 3hqn s HIS 54 CO 0.52 -0.39 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 3hqn n GLY 55 N 0.20 -0.89 3.95 -2.22 0.00 -1.26 -4.86 105.19 100.11 3hqn n GLY 55 Ca -0.15 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.50 4.42 0.33 1.61 1.04 -1.26 -4.89 113.70 113.45 3hqn s SER 56 Ca 0.00 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3hqn s SER 56 Cb 0.00 -0.72 0.58 0.00 0.10 0.00 0.00 66.02 65.98 3hqn s SER 56 CO 0.00 -1.84 1.99 0.45 0.98 0.00 0.00 173.24 174.82 3hqn h HIS 57 N -0.75 0.88 -0.61 5.02 -0.00 -1.99 -1.42 115.15 116.28 3hqn h HIS 57 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 3hqn h HIS 57 Cb 1.29 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 3hqn h HIS 57 CO -0.05 0.55 0.40 1.49 -0.00 0.00 0.00 177.93 180.31 3hqn h GLU 58 N 0.94 0.81 0.28 2.45 4.81 -1.99 0.13 114.58 122.01 3hqn h GLU 58 Ca 0.26 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3hqn h GLU 58 Cb -0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 3hqn h GLU 58 CO -0.06 0.55 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.64 3hqn h TYR 59 N 0.83 -0.54 -0.02 0.92 3.20 -1.68 -2.07 116.97 117.61 3hqn h TYR 59 Ca 0.22 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3hqn h TYR 59 Cb -0.08 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3hqn h TYR 59 CO -0.03 -0.32 -0.13 0.45 -1.64 0.00 0.00 178.16 176.50 3hqn h HIS 60 N -0.49 0.03 -0.83 -3.82 3.86 -1.17 -1.81 115.15 110.94 3hqn h HIS 60 Ca -0.02 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3hqn h HIS 60 Cb 0.43 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 3hqn h HIS 60 CO -0.12 0.16 0.41 0.37 0.86 0.00 0.00 177.93 179.61 3hqn h GLN 61 N 0.03 1.18 -0.51 2.45 5.75 -0.51 -0.39 115.11 123.11 3hqn h GLN 61 Ca 0.01 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.24 3hqn h GLN 61 Cb 0.24 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3hqn h GLN 61 CO 0.02 0.90 -0.08 1.15 -2.65 0.00 0.00 178.83 178.17 3hqn h THR 62 N 1.17 1.27 -0.55 2.39 2.02 -0.63 -0.17 112.91 118.41 3hqn h THR 62 Ca 0.29 -1.21 0.06 0.00 0.77 0.00 0.00 66.41 66.32 3hqn h THR 62 Cb 0.10 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 3hqn h THR 62 CO -0.04 0.42 0.24 0.74 0.37 0.00 0.00 175.52 177.26 3hqn h THR 63 N 0.83 0.88 0.19 3.16 2.02 -0.90 -0.66 112.91 118.42 3hqn h THR 63 Ca 0.14 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hqn h THR 63 Cb 0.63 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3hqn h THR 63 CO 0.04 0.08 -0.09 0.40 0.37 0.00 0.00 175.52 176.32 3hqn h ILE 64 N 0.46 0.90 -0.51 3.11 2.04 -0.78 -0.17 117.51 122.56 3hqn h ILE 64 Ca 0.26 -0.49 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3hqn h ILE 64 Cb 0.23 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3hqn h ILE 64 CO -0.22 0.11 0.09 0.78 0.00 0.00 0.00 178.15 178.91 3hqn h ASN 65 N -0.50 -0.03 0.14 1.72 2.35 -1.06 -1.74 115.58 116.46 3hqn h ASN 65 Ca -0.03 0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 3hqn h ASN 65 Cb 0.38 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3hqn h ASN 65 CO 0.04 0.01 -0.58 0.78 -1.65 0.00 0.00 177.43 176.03 3hqn h ASN 66 N 0.22 0.51 -0.26 5.81 2.35 -0.81 -1.14 115.58 122.25 3hqn h ASN 66 Ca 0.26 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3hqn h ASN 66 Cb 0.35 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3hqn h ASN 66 CO -0.35 0.97 0.16 0.58 -1.65 0.00 0.00 177.43 177.15 3hqn h VAL 67 N 0.34 1.09 -0.59 2.81 2.07 -0.84 0.35 116.25 121.50 3hqn h VAL 67 Ca -0.00 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3hqn h VAL 67 Cb 1.11 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3hqn h VAL 67 CO 0.10 0.09 0.34 0.03 0.02 0.00 0.00 177.57 178.15 3hqn h ARG 68 N 0.34 0.80 -0.23 1.57 3.08 -1.09 -0.92 114.38 117.93 3hqn h ARG 68 Ca 0.10 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3hqn h ARG 68 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3hqn h ARG 68 CO -0.02 0.60 -0.02 0.37 -1.07 0.00 0.00 179.97 179.83 3hqn h GLN 69 N 0.79 0.42 -0.65 0.04 4.15 -1.08 -0.95 115.11 117.84 3hqn h GLN 69 Ca 0.21 -0.15 0.10 0.00 0.77 0.00 0.00 58.65 59.58 3hqn h GLN 69 Cb 0.01 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 3hqn h GLN 69 CO -0.04 0.63 0.27 0.00 -1.93 0.00 0.00 178.83 177.76 3hqn h ALA 70 N 0.78 0.86 -0.31 3.38 0.00 -0.73 -1.30 119.26 121.95 3hqn h ALA 70 Ca 0.06 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3hqn h ALA 70 Cb 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hqn h ALA 70 CO 0.02 -0.15 -0.35 0.00 0.00 0.00 0.00 179.25 178.77 3hqn h ALA 71 N 1.43 0.46 -0.58 0.00 0.00 -1.09 -2.34 119.26 117.14 3hqn h ALA 71 Ca 0.33 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hqn h ALA 71 Cb 0.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hqn h ALA 71 CO -0.30 0.53 0.31 0.00 0.00 0.00 0.00 179.25 179.79 3hqn h ALA 72 N 0.72 0.74 0.00 0.00 0.00 -0.95 0.95 119.26 120.73 3hqn h ALA 72 Ca 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3hqn h ALA 72 Cb 0.93 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hqn h ALA 72 CO 0.08 0.27 -0.33 0.93 0.00 0.00 0.00 179.25 180.21 3hqn h GLU 73 N 0.78 0.00 -0.00 0.00 5.08 -0.99 -2.74 114.58 116.71 3hqn h GLU 73 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hqn h GLU 73 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3hqn h GLU 73 CO -0.03 0.33 -0.45 1.28 -1.00 0.00 0.00 179.01 179.14 3hqn n LEU 74 N -3.85 0.86 -0.40 1.33 4.77 -0.82 -4.97 117.00 113.92 3hqn n LEU 74 Ca -0.01 -0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 55.74 3hqn n LEU 74 Cb 0.40 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3hqn n LEU 74 CO 0.37 0.18 -0.01 0.61 -1.33 0.00 0.00 177.39 177.20 3hqn n GLY 75 N 1.43 0.41 3.44 -0.72 0.00 0.24 -5.04 105.19 104.95 3hqn n GLY 75 Ca 0.08 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.34 1.10 -0.15 1.61 -7.23 -0.68 -5.04 120.40 107.67 3hqn s VAL 76 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3hqn s VAL 76 Cb -0.01 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 34.17 3hqn s VAL 76 CO 0.02 0.00 -0.15 0.20 -0.31 0.00 0.00 175.10 174.86 3hqn s ASN 77 N -3.47 3.68 -0.12 4.85 0.01 -1.26 -4.38 114.94 114.25 3hqn s ASN 77 Ca 0.36 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 3hqn s ASN 77 Cb 0.08 -1.57 -0.00 0.00 0.41 0.00 0.00 41.25 40.17 3hqn s ASN 77 CO 0.15 0.09 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.00 3hqn s ILE 78 N 0.80 2.34 0.54 0.60 -1.09 -1.26 -4.79 121.20 118.34 3hqn s ILE 78 Ca -0.05 -0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 57.27 3hqn s ILE 78 Cb -0.15 -1.93 -0.06 0.00 -1.58 0.00 0.00 42.46 38.74 3hqn s ILE 78 CO 0.00 0.55 1.10 0.00 -1.23 0.00 0.00 174.94 175.35 3hqn s ALA 79 N 0.46 2.73 -0.13 9.38 0.00 -1.06 -4.90 121.76 128.23 3hqn s ALA 79 Ca -0.14 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3hqn s ALA 79 Cb -0.17 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3hqn s ALA 79 CO 0.06 -0.68 -0.22 0.42 0.00 0.00 0.00 175.76 175.33 3hqn s ILE 80 N -1.93 2.07 -0.04 0.00 1.01 -1.26 -1.13 121.20 119.92 3hqn s ILE 80 Ca 0.70 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 60.41 3hqn s ILE 80 Cb -0.21 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3hqn s ILE 80 CO 0.27 0.55 -0.18 0.00 0.00 0.00 0.00 174.94 175.58 3hqn s ALA 81 N 0.71 2.52 -0.34 9.38 0.00 -0.12 -1.35 121.76 132.56 3hqn s ALA 81 Ca -0.10 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 3hqn s ALA 81 Cb -0.16 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.15 3hqn s ALA 81 CO 0.01 0.54 0.10 -1.17 0.00 0.00 0.00 175.76 175.24 3hqn s LEU 82 N -0.66 4.32 -0.34 0.00 0.20 -0.64 -0.63 118.68 120.93 3hqn s LEU 82 Ca 0.10 -1.16 -0.12 0.00 0.69 0.00 0.00 54.13 53.64 3hqn s LEU 82 Cb -0.11 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 3hqn s LEU 82 CO 0.00 -0.33 0.22 -0.62 -0.29 0.00 0.00 176.35 175.34 3hqn s ASP 83 N 1.41 5.92 0.55 3.68 -1.08 -0.27 -1.14 116.67 125.73 3hqn s ASP 83 Ca -0.02 -0.52 -0.17 0.00 -0.52 0.00 0.00 52.55 51.32 3hqn s ASP 83 Cb -0.20 -2.10 -0.06 0.00 -1.46 0.00 0.00 42.92 39.11 3hqn s ASP 83 CO 0.03 -0.25 1.05 0.42 0.52 0.00 0.00 175.17 176.93 3hqn s THR 84 N 1.68 3.84 0.09 1.71 -4.23 -0.65 -0.74 115.64 117.34 3hqn s THR 84 Ca 0.05 0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 61.34 3hqn s THR 84 Cb -0.18 -3.43 -0.08 0.00 1.34 0.00 0.00 72.50 70.16 3hqn s THR 84 CO 0.09 -0.42 1.63 0.50 -0.54 0.00 0.00 174.62 175.89 3hqn h LYS 85 N 0.87 0.32 0.00 3.99 3.64 -1.92 -3.40 116.57 120.07 3hqn h LYS 85 Ca -0.48 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3hqn h LYS 85 Cb 1.22 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hqn h LYS 85 CO 0.58 0.38 0.00 0.41 -2.27 0.00 0.00 179.45 178.55 3hqn n GLY 86 N -0.70 -1.22 3.76 5.01 0.00 -1.26 -4.88 105.19 105.90 3hqn n GLY 86 Ca -0.04 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 3hqn n GLY 86 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hqn s PRO 87 N -1.64 4.42 0.04 1.61 0.02 -1.26 -4.87 135.00 133.32 3hqn s PRO 87 Ca 0.00 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.19 3hqn s PRO 87 Cb 0.00 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 3hqn s PRO 87 CO 0.00 -0.11 -0.16 -1.21 -0.33 0.00 0.00 177.00 175.18 3hqn s GLU 88 N -1.50 1.06 -0.24 5.54 2.02 -1.26 -5.00 118.70 119.32 3hqn s GLU 88 Ca 0.49 -0.82 -0.13 0.00 0.02 0.00 0.00 54.97 54.53 3hqn s GLU 88 Cb -0.38 -1.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.70 3hqn s GLU 88 CO 0.49 0.28 0.26 0.42 0.02 0.00 0.00 175.26 176.72 3hqn s ILE 89 N -0.84 5.28 0.10 -1.63 1.01 -1.26 -4.94 121.20 118.91 3hqn s ILE 89 Ca 0.03 0.38 0.08 0.00 0.00 0.00 0.00 60.65 61.14 3hqn s ILE 89 Cb -0.08 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3hqn s ILE 89 CO 0.01 0.28 -0.19 -0.13 0.00 0.00 0.00 174.94 174.91 3hqn s ARG 90 N 1.35 1.06 1.04 2.79 0.52 -1.26 -1.33 118.95 123.11 3hqn s ARG 90 Ca 0.12 -1.12 -0.15 0.00 -0.52 0.00 0.00 55.73 54.06 3hqn s ARG 90 Cb -0.14 -1.27 0.21 0.00 0.52 0.00 0.00 34.95 34.26 3hqn s ARG 90 CO 0.07 0.29 1.12 0.95 0.02 0.00 0.00 175.30 177.76 3hqn s THR 91 N -1.20 1.89 0.00 0.02 -4.23 0.41 0.14 115.64 112.67 3hqn s THR 91 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 3hqn s THR 91 Cb -0.10 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3hqn s THR 91 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3hqn n GLY 92 N -1.48 0.98 3.83 3.99 0.00 0.13 -4.38 105.19 108.26 3hqn n GLY 92 Ca 0.08 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 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 1.95 4.15 0.25 1.61 -0.21 0.71 -2.09 119.66 126.03 3hqn s GLN 93 Ca 0.00 1.03 0.07 0.00 0.02 0.00 0.00 55.36 56.47 3hqn s GLN 93 Cb 0.00 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.77 3hqn s GLN 93 CO 0.00 -0.05 0.25 -0.06 -2.12 0.00 0.00 175.29 173.30 3hqn s PHE 94 N -2.24 3.19 0.27 0.91 0.08 -1.26 -2.63 117.98 116.29 3hqn s PHE 94 Ca 0.60 -0.10 -0.29 0.00 0.12 0.00 0.00 56.93 57.27 3hqn s PHE 94 Cb -0.09 -1.47 -0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3hqn s PHE 94 CO 0.17 0.48 1.01 0.08 -0.10 0.00 0.00 175.22 176.86 3hqn s VAL 95 N -2.10 3.83 -0.22 -0.44 1.01 -0.48 -2.70 120.40 119.30 3hqn s VAL 95 Ca 0.34 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.11 3hqn s VAL 95 Cb -0.08 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3hqn s VAL 95 CO 0.26 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3hqn n GLY 96 N 1.24 0.46 3.33 4.51 0.00 -1.26 -3.38 105.19 110.10 3hqn n GLY 96 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.38 0.22 3.38 -0.02 0.00 -1.10 -4.94 105.19 101.35 3hqn n GLY 97 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.16 0.18 -0.30 1.61 2.15 -1.22 -3.25 116.67 113.68 3hqn s ASP 98 Ca 0.00 -1.23 -0.03 0.00 0.43 0.00 0.00 52.55 51.72 3hqn s ASP 98 Cb 0.00 0.49 0.19 0.00 -0.30 0.00 0.00 42.92 43.30 3hqn s ASP 98 CO 0.00 -1.01 0.67 0.00 -0.17 0.00 0.00 175.17 174.66 3hqn s ALA 99 N -3.98 -2.45 -0.95 3.66 0.00 -1.18 -4.36 121.76 112.49 3hqn s ALA 99 Ca 0.32 1.76 -0.19 0.00 0.00 0.00 0.00 51.96 53.84 3hqn s ALA 99 Cb 0.03 -2.24 0.12 0.00 0.00 0.00 0.00 23.12 21.03 3hqn s ALA 99 CO 0.12 -1.37 1.20 0.08 0.00 0.00 0.00 175.76 175.79 3hqn s VAL 100 N 2.87 4.57 0.10 0.00 1.01 -1.26 -2.23 120.40 125.47 3hqn s VAL 100 Ca 0.17 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 3hqn s VAL 100 Cb -0.14 -4.84 -0.06 0.00 0.00 0.00 0.00 36.38 31.34 3hqn s VAL 100 CO -0.20 -1.60 0.99 -0.04 0.00 0.00 0.00 175.10 174.26 3hqn s MET 101 N 3.12 4.66 0.05 2.72 -1.94 -0.24 -4.95 119.30 122.73 3hqn s MET 101 Ca 0.36 1.49 0.06 0.00 -1.71 0.00 0.00 55.69 55.88 3hqn s MET 101 Cb -0.04 -3.37 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 3hqn s MET 101 CO -0.09 0.15 -0.16 -1.21 -0.01 0.00 0.00 175.02 173.70 3hqn s GLU 102 N 0.11 0.98 0.34 2.03 2.02 -1.26 -1.17 118.70 121.75 3hqn s GLU 102 Ca 0.48 -0.87 -0.28 0.00 0.02 0.00 0.00 54.97 54.32 3hqn s GLU 102 Cb -0.24 -1.03 -0.12 0.00 0.10 0.00 0.00 34.13 32.84 3hqn s GLU 102 CO 0.30 0.25 1.34 -2.13 0.02 0.00 0.00 175.26 175.05 3hqn n ARG 103 N 1.67 2.25 0.00 1.61 0.63 -1.26 -2.23 116.66 119.32 3hqn n ARG 103 Ca -0.19 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 3hqn n ARG 103 Cb 0.54 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.04 3hqn n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hqn n GLY 104 N 0.83 2.10 3.43 5.14 0.00 0.06 -4.99 105.19 111.76 3hqn n GLY 104 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3hqn n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqn n ALA 105 N 0.02 -2.35 -2.64 4.61 0.00 -0.95 -4.65 120.51 114.55 3hqn n ALA 105 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 3hqn n ALA 105 Cb 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 3hqn n ALA 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hqn s THR 106 N -2.30 4.06 0.20 0.00 2.01 -1.26 -1.32 115.64 117.03 3hqn s THR 106 Ca 0.59 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 62.16 3hqn s THR 106 Cb -0.24 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 3hqn s THR 106 CO 0.65 0.59 0.27 0.00 -0.69 0.00 0.00 174.62 175.45 3hqn s TYR 108 N -4.05 1.71 -0.15 0.00 1.51 0.96 -0.51 117.35 116.81 3hqn s TYR 108 Ca 0.26 -0.71 -0.02 0.00 -1.01 0.00 0.00 57.07 55.60 3hqn s TYR 108 Cb 0.04 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3hqn s TYR 108 CO 0.07 -0.36 -0.09 0.14 -1.11 0.00 0.00 175.55 174.20 3hqn s VAL 109 N 0.80 3.37 0.08 0.71 -7.23 -0.45 -0.85 120.40 116.83 3hqn s VAL 109 Ca -0.11 -0.54 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 3hqn s VAL 109 Cb -0.16 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 3hqn s VAL 109 CO 0.02 0.50 -0.16 0.28 -0.31 0.00 0.00 175.10 175.43 3hqn s THR 110 N 0.52 1.27 -2.05 5.32 -1.32 0.98 -0.23 115.64 120.14 3hqn s THR 110 Ca -0.06 -1.35 0.19 0.00 -1.21 0.00 0.00 61.69 59.26 3hqn s THR 110 Cb -0.15 -1.20 0.53 0.00 -1.51 0.00 0.00 72.50 70.17 3hqn s THR 110 CO 0.03 -0.17 1.45 0.35 -2.21 0.00 0.00 174.62 174.08 3hqn n THR 111 N 1.27 0.78 -1.81 5.08 -2.24 0.42 -1.81 114.28 115.96 3hqn n THR 111 Ca -0.21 -0.80 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 3hqn n THR 111 Cb 0.54 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.06 5.97 0.56 3.42 3.68 -1.26 -4.88 116.67 123.11 3hqn s ASP 112 Ca 0.41 1.90 0.33 0.00 2.13 0.00 0.00 52.55 57.31 3hqn s ASP 112 Cb 0.21 -2.52 1.68 0.00 -1.45 0.00 0.00 42.92 40.84 3hqn s ASP 112 CO 0.28 -1.55 2.13 1.55 0.13 0.00 0.00 175.17 177.72 3hqn h PRO 113 N 12.65 0.00 -1.55 4.34 0.13 -1.97 -1.86 132.00 143.74 3hqn h PRO 113 Ca -0.40 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.18 3hqn h PRO 113 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3hqn h PRO 113 CO 0.98 0.06 1.17 0.00 -0.23 0.00 0.00 178.00 179.98 3hqn h ALA 114 N 1.94 3.46 -0.65 -0.56 0.00 -2.00 -2.24 119.26 119.21 3hqn h ALA 114 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hqn h ALA 114 Cb 0.28 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hqn h ALA 114 CO 0.01 -1.97 0.00 1.19 0.00 0.00 0.00 179.25 178.48 3hqn n PHE 115 N -3.94 0.86 0.22 0.00 3.72 -0.70 -4.57 117.46 113.05 3hqn n PHE 115 Ca 0.34 -0.43 0.05 0.00 -0.05 0.00 0.00 57.45 57.37 3hqn n PHE 115 Cb 1.65 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 40.69 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 1.61 -0.25 4.37 0.00 -1.60 -2.50 119.26 125.20 3hqn h ALA 116 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hqn h ALA 116 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hqn h ALA 116 CO 0.00 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 3hqn n ASP 117 N -4.23 2.79 -2.81 0.00 3.85 -1.26 -0.20 116.55 114.69 3hqn n ASP 117 Ca -0.02 -1.82 -0.11 0.00 -0.71 0.00 0.00 54.79 52.13 3hqn n ASP 117 Cb 0.27 -0.16 0.05 0.00 -1.35 0.00 0.00 41.12 39.93 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 0.90 1.10 -2.72 0.11 2.85 -0.94 -4.67 118.16 114.78 3hqn n LYS 118 Ca 0.13 -2.72 -0.21 0.00 -1.05 0.00 0.00 58.31 54.46 3hqn n LYS 118 Cb 0.44 -1.02 0.06 0.00 -0.65 0.00 0.00 35.03 33.86 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 -2.19 1.81 0.33 2.58 0.00 -1.08 -4.87 107.32 103.91 3hqn s GLY 119 Ca 0.28 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 43.30 3hqn s GLY 119 CO -0.03 -1.21 0.63 -0.51 0.00 0.00 0.00 173.10 171.98 3hqn s THR 120 N -2.80 0.00 0.64 0.90 -4.23 -0.17 -1.39 115.64 108.59 3hqn s THR 120 Ca 0.60 -1.24 0.29 0.00 -1.18 0.00 0.00 61.69 60.16 3hqn s THR 120 Cb -0.08 -2.53 0.32 0.00 1.34 0.00 0.00 72.50 71.55 3hqn s THR 120 CO 0.39 0.00 1.89 0.07 -0.54 0.00 0.00 174.62 176.44 3hqn h LYS 121 N 2.08 0.00 0.04 3.99 2.10 -1.91 -2.61 116.57 120.26 3hqn h LYS 121 Ca -0.28 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.32 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 -0.24 -0.44 -2.00 0.00 0.00 179.45 177.13 3hqn h ASP 122 N 0.00 0.14 -3.05 7.07 3.32 -1.92 -3.42 116.42 118.56 3hqn h ASP 122 Ca 0.08 -0.99 -0.11 0.00 0.02 0.00 0.00 57.03 56.04 3hqn h ASP 122 Cb 0.88 -0.04 -0.26 0.00 0.22 0.00 0.00 39.33 40.12 3hqn h ASP 122 CO -0.00 1.12 -0.30 -0.75 -1.72 0.00 0.00 179.24 177.58 3hqn s LYS 123 N -2.28 0.39 0.24 3.56 2.20 -0.98 -0.03 119.74 122.84 3hqn s LYS 123 Ca -0.17 0.87 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 3hqn s LYS 123 Cb -0.02 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 3hqn s LYS 123 CO 0.73 -0.18 0.24 -0.59 -0.36 0.00 0.00 175.35 175.20 3hqn s PHE 124 N 1.69 1.14 -0.12 4.03 -0.71 -0.03 -1.00 117.98 122.97 3hqn s PHE 124 Ca -0.08 -1.32 -0.10 0.00 -1.04 0.00 0.00 56.93 54.39 3hqn s PHE 124 Cb -0.09 -0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 41.25 3hqn s PHE 124 CO -0.13 -0.79 0.20 -0.47 -1.34 0.00 0.00 175.22 172.70 3hqn s TYR 125 N -3.90 3.56 -0.18 3.49 5.04 -1.26 -0.02 117.35 124.09 3hqn s TYR 125 Ca 0.36 0.57 -0.01 0.00 -2.44 0.00 0.00 57.07 55.56 3hqn s TYR 125 Cb 0.04 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.26 3hqn s TYR 125 CO 0.15 0.57 -0.14 0.42 -1.34 0.00 0.00 175.55 175.21 3hqn s ILE 126 N -0.56 2.68 -1.64 3.14 1.01 -0.75 0.18 121.20 125.26 3hqn s ILE 126 Ca 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3hqn s ILE 126 Cb -0.13 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3hqn s ILE 126 CO 0.04 0.50 0.60 -0.90 0.00 0.00 0.00 174.94 175.18 3hqn n ASP 127 N 4.37 0.26 -4.38 3.58 5.68 0.12 -4.40 116.55 121.78 3hqn n ASP 127 Ca -0.19 -1.45 -0.45 0.00 -0.50 0.00 0.00 54.79 52.20 3hqn n ASP 127 Cb 0.51 -0.13 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 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 -1.64 3.25 0.51 2.11 5.04 -1.26 -4.90 117.35 120.46 3hqn s TYR 128 Ca 0.00 -0.98 0.29 0.00 -2.44 0.00 0.00 57.07 53.94 3hqn s TYR 128 Cb 0.00 -3.25 1.69 0.00 0.35 0.00 0.00 41.96 40.74 3hqn s TYR 128 CO 0.00 -0.83 2.18 1.96 -1.34 0.00 0.00 175.55 177.52 3hqn h GLN 129 N 8.77 0.00 -0.20 4.97 1.08 -1.92 0.19 115.11 128.00 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 -3.71 1.31 -0.33 1.46 3.02 -1.26 -4.59 115.26 111.17 3hqn n ASN 130 Ca -0.02 -1.84 -0.01 0.00 -0.03 0.00 0.00 54.58 52.68 3hqn n ASN 130 Cb 0.15 -0.13 0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.56 -1.24 -0.67 3.41 5.85 -1.01 -2.47 115.31 120.75 3hqn h LEU 131 Ca 0.00 0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 3hqn h LEU 131 Cb 0.35 0.67 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3hqn h LEU 131 CO 0.00 -0.30 -0.10 0.28 -0.34 0.00 0.00 178.44 177.99 3hqn h SER 132 N -0.04 0.93 -0.24 1.25 0.02 -1.85 -1.15 113.55 112.48 3hqn h SER 132 Ca 0.34 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3hqn h SER 132 Cb 0.60 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3hqn h SER 132 CO -0.91 1.04 -0.09 0.11 -1.14 0.00 0.00 176.83 175.85 3hqn h LYS 133 N 0.84 0.62 0.02 3.45 1.57 -1.82 -3.29 116.57 117.95 3hqn h LYS 133 Ca 0.14 -0.18 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 3hqn h LYS 133 Cb 0.63 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 3hqn h LYS 133 CO 0.04 0.70 -1.51 0.28 -0.57 0.00 0.00 179.45 178.39 3hqn h VAL 134 N 0.57 1.10 -3.35 0.50 2.07 -1.00 -3.46 116.25 112.67 3hqn h VAL 134 Ca 0.11 -2.89 -0.49 0.00 0.82 0.00 0.00 66.70 64.25 3hqn h VAL 134 Cb 0.49 2.57 0.02 0.00 -1.52 0.00 0.00 31.29 32.85 3hqn h VAL 134 CO 0.03 0.66 0.02 -0.69 0.02 0.00 0.00 177.57 177.61 3hqn s VAL 135 N -2.63 4.96 0.06 2.57 1.01 -0.48 -4.75 120.40 121.15 3hqn s VAL 135 Ca -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3hqn s VAL 135 Cb 0.08 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3hqn s VAL 135 CO 0.82 -0.73 0.00 -0.13 0.00 0.00 0.00 175.10 175.07 3hqn s ARG 136 N -4.53 0.66 0.23 2.72 0.52 -1.26 -4.90 118.95 112.39 3hqn s ARG 136 Ca 0.45 -1.20 -0.32 0.00 -0.52 0.00 0.00 55.73 54.14 3hqn s ARG 136 Cb -0.10 0.23 -0.13 0.00 0.52 0.00 0.00 34.95 35.46 3hqn s ARG 136 CO 0.41 -0.14 1.44 -2.30 0.02 0.00 0.00 175.30 174.73 3hqn n PRO 137 N 0.07 2.07 0.00 3.54 -0.02 -1.26 -1.60 135.00 137.80 3hqn n PRO 137 Ca -0.14 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3hqn n PRO 137 Cb 0.61 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.34 2.94 3.69 -1.23 0.00 0.12 -5.00 105.19 108.05 3hqn n GLY 138 Ca 0.12 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3hqn n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqn s ASN 139 N 0.27 3.40 0.23 1.61 0.01 -0.63 -4.65 114.94 115.18 3hqn s ASN 139 Ca 0.00 2.33 0.09 0.00 -0.71 0.00 0.00 52.86 54.57 3hqn s ASN 139 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 3hqn s ASN 139 CO 0.00 -2.79 0.02 -0.31 -1.51 0.00 0.00 177.10 172.51 3hqn s TYR 140 N -2.26 2.79 -0.08 2.20 2.02 -1.26 -1.62 117.35 119.14 3hqn s TYR 140 Ca 0.72 -0.18 -0.00 0.00 -0.37 0.00 0.00 57.07 57.23 3hqn s TYR 140 Cb -0.27 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 3hqn s TYR 140 CO 0.52 0.57 -0.04 0.42 -1.57 0.00 0.00 175.55 175.46 3hqn s ILE 141 N -2.11 0.64 0.07 2.71 1.01 0.34 -4.46 121.20 119.40 3hqn s ILE 141 Ca 0.30 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 3hqn s ILE 141 Cb -0.07 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 3hqn s ILE 141 CO 0.20 0.29 0.36 -0.31 0.00 0.00 0.00 174.94 175.48 3hqn s TYR 142 N 1.65 3.56 -0.01 3.97 1.51 -0.83 -1.00 117.35 126.20 3hqn s TYR 142 Ca 0.01 0.68 -0.06 0.00 -1.01 0.00 0.00 57.07 56.69 3hqn s TYR 142 Cb -0.13 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 3hqn s TYR 142 CO -0.05 0.53 0.13 0.42 -1.11 0.00 0.00 175.55 175.47 3hqn s ILE 143 N -1.42 0.07 -0.72 2.71 1.01 -0.32 -1.23 121.20 121.30 3hqn s ILE 143 Ca 0.33 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 3hqn s ILE 143 Cb -0.13 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.95 3hqn s ILE 143 CO 0.19 -0.33 0.68 -0.67 0.00 0.00 0.00 174.94 174.81 3hqn n ASP 144 N 1.71 -7.46 -0.43 3.58 4.64 -0.85 -1.54 116.55 116.19 3hqn n ASP 144 Ca -0.21 -0.12 -0.06 0.00 -1.38 0.00 0.00 54.79 53.02 3hqn n ASP 144 Cb 0.56 -4.88 -0.02 0.00 -1.04 0.00 0.00 41.12 35.74 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 -1.73 -5.17 0.00 1.67 8.00 -1.26 -0.07 116.55 117.99 3hqn n ASP 145 Ca -0.03 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3hqn n ASP 145 Cb 0.52 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 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 -0.32 0.50 0.31 0.44 0.00 -1.24 -4.93 105.19 99.95 3hqn n GLY 146 Ca -0.06 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 0.10 -3.56 -0.61 2.04 -0.47 -3.42 117.51 111.59 3hqn h ILE 147 Ca 0.00 -0.46 -0.57 0.00 1.00 0.00 0.00 64.86 64.82 3hqn h ILE 147 Cb 0.00 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.16 3hqn h ILE 147 CO 0.00 0.02 0.82 -0.22 0.00 0.00 0.00 178.15 178.77 3hqn s LEU 148 N -9.38 3.81 -0.32 1.44 2.96 -0.59 -4.95 118.68 111.65 3hqn s LEU 148 Ca -0.12 0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 3hqn s LEU 148 Cb 0.01 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 3hqn s LEU 148 CO 0.37 -1.07 0.17 -0.63 -1.32 0.00 0.00 176.35 173.88 3hqn s ILE 149 N 4.01 4.72 -0.08 6.68 1.01 -1.26 -1.18 121.20 135.10 3hqn s ILE 149 Ca 0.45 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 3hqn s ILE 149 Cb -0.10 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3hqn s ILE 149 CO 0.25 0.03 0.13 -0.76 0.00 0.00 0.00 174.94 174.59 3hqn s LEU 150 N 1.63 4.28 -0.08 2.97 1.43 -0.17 -1.89 118.68 126.84 3hqn s LEU 150 Ca 0.05 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3hqn s LEU 150 Cb -0.17 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3hqn s LEU 150 CO 0.07 0.36 0.07 -1.58 0.23 0.00 0.00 176.35 175.50 3hqn s GLN 151 N -1.29 3.17 -0.26 1.70 0.74 -0.06 -0.51 119.66 123.15 3hqn s GLN 151 Ca 0.18 -0.32 -0.22 0.00 0.05 0.00 0.00 55.36 55.06 3hqn s GLN 151 Cb -0.12 -2.95 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 3hqn s GLN 151 CO 0.08 0.72 0.71 0.08 -0.55 0.00 0.00 175.29 176.33 3hqn s VAL 152 N -0.99 4.92 -0.24 1.34 1.01 -0.64 -0.60 120.40 125.20 3hqn s VAL 152 Ca 0.16 1.26 -0.09 0.00 0.00 0.00 0.00 61.98 63.30 3hqn s VAL 152 Cb -0.12 -4.02 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 3hqn s VAL 152 CO 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 175.10 175.00 3hqn n GLN 153 N 5.86 0.63 -3.50 2.72 1.13 -0.58 0.14 117.38 123.78 3hqn n GLN 153 Ca 0.02 0.28 -0.10 0.00 -1.94 0.00 0.00 57.00 55.25 3hqn n GLN 153 Cb 0.48 -1.58 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 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 -7.01 -0.45 -0.83 1.08 1.04 -1.10 -4.64 113.70 101.79 3hqn s SER 154 Ca -0.33 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 55.79 3hqn s SER 154 Cb 0.10 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.81 3hqn s SER 154 CO 0.59 -0.87 1.25 -1.00 0.98 0.00 0.00 173.24 174.19 3hqn s HIS 155 N -3.51 2.54 0.16 5.02 3.76 -1.26 0.15 115.29 122.14 3hqn s HIS 155 Ca 0.04 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.23 3hqn s HIS 155 Cb -0.01 -4.54 0.09 0.00 1.11 0.00 0.00 32.58 29.22 3hqn s HIS 155 CO -0.09 -1.88 1.69 1.49 -0.85 0.00 0.00 174.74 175.09 3hqn h GLU 156 N 9.72 0.05 0.00 1.40 4.57 -1.65 -3.46 114.58 125.22 3hqn h GLU 156 Ca -0.08 -0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.89 3hqn h GLU 156 Cb 1.04 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.57 3hqn h GLU 156 CO 1.29 0.04 -0.10 -0.40 -1.18 0.00 0.00 179.01 178.65 3hqn n ASP 157 N -5.24 -1.05 0.00 1.04 5.68 -1.08 -4.98 116.55 110.92 3hqn n ASP 157 Ca 0.02 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 3hqn n ASP 157 Cb 0.20 1.95 0.01 0.00 -1.14 0.00 0.00 41.12 42.15 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 -0.43 0.00 0.00 0.11 1.02 -1.26 -2.19 120.64 117.88 3hqn n GLU 158 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3hqn n GLU 158 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.45 0.85 -3.97 3.49 6.02 -1.26 -4.82 117.38 116.24 3hqn n GLN 159 Ca 0.00 -0.78 -0.16 0.00 -0.01 0.00 0.00 57.00 56.06 3hqn n GLN 159 Cb 0.01 -0.79 -0.15 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.36 0.19 -0.09 5.09 2.01 -0.93 -0.43 115.64 121.11 3hqn s THR 160 Ca 0.00 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.01 3hqn s THR 160 Cb 0.00 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 3hqn s THR 160 CO 0.00 0.10 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.13 3hqn s LEU 161 N 0.51 2.70 -0.13 4.42 1.43 0.69 -1.73 118.68 126.57 3hqn s LEU 161 Ca -0.05 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 3hqn s LEU 161 Cb -0.08 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3hqn s LEU 161 CO -0.01 0.24 0.72 -0.70 0.23 0.00 0.00 176.35 176.84 3hqn s GLU 162 N -0.13 4.33 -0.01 1.70 2.12 0.12 -1.34 118.70 125.49 3hqn s GLU 162 Ca -0.01 0.85 0.07 0.00 0.36 0.00 0.00 54.97 56.24 3hqn s GLU 162 Cb -0.14 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 3hqn s GLU 162 CO 0.03 -0.14 -0.22 0.00 -0.54 0.00 0.00 175.26 174.39 3hqn s THR 164 N -0.55 3.80 -0.48 0.00 2.01 0.23 -1.21 115.64 119.45 3hqn s THR 164 Ca 0.09 1.80 -0.25 0.00 0.31 0.00 0.00 61.69 63.63 3hqn s THR 164 Cb -0.09 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.32 3hqn s THR 164 CO -0.01 0.41 0.93 -0.69 -0.69 0.00 0.00 174.62 174.58 3hqn s VAL 165 N -1.20 4.45 -0.83 3.82 1.01 -0.44 -0.88 120.40 126.34 3hqn s VAL 165 Ca 0.43 0.68 0.26 0.00 0.00 0.00 0.00 61.98 63.35 3hqn s VAL 165 Cb -0.28 -4.46 0.25 0.00 0.00 0.00 0.00 36.38 31.89 3hqn s VAL 165 CO 0.36 -0.89 1.79 0.35 0.00 0.00 0.00 175.10 176.71 3hqn n THR 166 N 6.40 0.45 -3.51 3.92 -2.24 -0.79 -0.76 114.28 117.74 3hqn n THR 166 Ca 0.06 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 3hqn n THR 166 Cb 0.48 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 3hqn n THR 166 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hqn s ASN 167 N -3.78 -0.37 0.47 3.42 4.22 -1.25 -4.76 114.94 112.89 3hqn s ASN 167 Ca 0.11 0.03 -0.08 0.00 -2.14 0.00 0.00 52.86 50.77 3hqn s ASN 167 Cb 0.14 0.38 -0.05 0.00 1.28 0.00 0.00 41.25 43.00 3hqn s ASN 167 CO 0.51 -0.60 0.82 -0.44 -2.04 0.00 0.00 177.10 175.35 3hqn s SER 168 N -2.39 6.37 0.00 3.54 0.01 -1.26 -4.46 113.70 115.51 3hqn s SER 168 Ca 0.04 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.40 3hqn s SER 168 Cb -0.01 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.90 3hqn s SER 168 CO -0.08 -0.55 0.00 1.57 0.41 0.00 0.00 173.24 174.59 3hqn n HIS 169 N -1.92 0.00 -3.97 2.43 -0.00 -0.32 -4.91 115.22 106.53 3hqn n HIS 169 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.40 3hqn n HIS 169 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.48 3hqn n HIS 169 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3hqn s THR 170 N -2.00 5.21 -0.12 3.57 2.01 -1.26 -1.08 115.64 121.97 3hqn s THR 170 Ca 0.00 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 3hqn s THR 170 Cb 0.00 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 69.15 3hqn s THR 170 CO 0.00 0.38 -0.05 0.27 -0.69 0.00 0.00 174.62 174.54 3hqn s ILE 171 N -1.23 0.87 1.22 1.82 -4.36 -0.95 -4.93 121.20 113.64 3hqn s ILE 171 Ca 0.24 -0.30 -0.20 0.00 -0.26 0.00 0.00 60.65 60.12 3hqn s ILE 171 Cb -0.12 -0.99 0.30 0.00 1.25 0.00 0.00 42.46 42.89 3hqn s ILE 171 CO 0.15 0.25 1.14 -0.94 0.24 0.00 0.00 174.94 175.77 3hqn s SER 172 N 1.76 0.78 0.25 4.36 1.04 -1.26 -3.09 113.70 117.54 3hqn s SER 172 Ca 0.04 0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.65 3hqn s SER 172 Cb -0.13 -0.59 -0.15 0.00 0.10 0.00 0.00 66.02 65.24 3hqn s SER 172 CO -0.07 -4.19 0.95 0.47 0.98 0.00 0.00 173.24 171.38 3hqn n ASP 173 N -4.78 0.87 -3.68 7.02 9.92 -1.20 -4.21 116.55 120.49 3hqn n ASP 173 Ca 0.15 1.17 -0.21 0.00 -0.53 0.00 0.00 54.79 55.36 3hqn n ASP 173 Cb 0.60 -1.22 0.04 0.00 -0.64 0.00 0.00 41.12 39.90 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 0.94 -5.19 -1.73 -1.24 1.74 -0.89 -4.99 116.66 105.30 3hqn n ARG 174 Ca 0.12 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.55 3hqn n ARG 174 Cb 0.29 -5.28 0.06 0.00 -1.02 0.00 0.00 32.46 26.51 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 -5.95 2.59 0.11 5.56 3.00 -1.26 -4.66 118.95 118.33 3hqn s ARG 175 Ca 0.05 0.57 -0.02 0.00 0.00 0.00 0.00 55.73 56.33 3hqn s ARG 175 Cb -0.03 -1.98 -0.05 0.00 0.00 0.00 0.00 34.95 32.90 3hqn s ARG 175 CO 0.80 -1.25 0.30 0.20 0.00 0.00 0.00 175.30 175.35 3hqn s GLY 176 N -4.14 2.20 0.20 -3.53 0.00 -1.26 -0.44 107.32 100.35 3hqn s GLY 176 Ca 0.59 -0.70 0.09 0.00 0.00 0.00 0.00 44.72 44.70 3hqn s GLY 176 CO 0.53 -0.65 -0.18 -1.34 0.00 0.00 0.00 173.10 171.47 3hqn s VAL 177 N -1.60 1.94 0.25 1.40 -7.23 -0.44 -2.01 120.40 112.71 3hqn s VAL 177 Ca 0.38 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.49 3hqn s VAL 177 Cb -0.12 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 3hqn s VAL 177 CO 0.26 -0.41 -0.00 0.20 -0.31 0.00 0.00 175.10 174.84 3hqn s ASN 178 N -3.02 2.03 -0.41 4.85 0.01 -0.36 -4.58 114.94 113.45 3hqn s ASN 178 Ca 0.21 -1.24 0.04 0.00 -0.71 0.00 0.00 52.86 51.16 3hqn s ASN 178 Cb -0.04 -0.03 0.18 0.00 0.41 0.00 0.00 41.25 41.77 3hqn s ASN 178 CO 0.08 -0.51 0.36 0.18 -1.51 0.00 0.00 177.10 175.71 3hqn n LEU 179 N -0.48 -0.36 0.23 0.60 4.32 -1.26 -1.96 117.00 118.09 3hqn n LEU 179 Ca -0.05 -4.42 0.07 0.00 -0.02 0.00 0.00 56.01 51.60 3hqn n LEU 179 Cb 0.64 0.53 0.56 0.00 -1.62 0.00 0.00 43.42 43.54 3hqn n LEU 179 CO 0.38 1.88 0.90 1.55 -1.22 0.00 0.00 177.39 180.89 3hqn h PRO 180 N 5.44 0.00 -0.27 3.23 0.13 -1.91 0.54 132.00 139.17 3hqn h PRO 180 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 3hqn h PRO 180 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3hqn h PRO 180 CO 0.39 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 3hqn n GLY 181 N -0.83 0.63 3.14 1.56 0.00 -1.26 -4.92 105.19 103.50 3hqn n GLY 181 Ca -0.02 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 0.43 5.83 0.16 0.00 1.01 -1.26 -4.84 116.67 118.00 3hqn s ASP 183 Ca -0.16 -0.60 -0.30 0.00 0.71 0.00 0.00 52.55 52.20 3hqn s ASP 183 Cb -0.17 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.13 3hqn s ASP 183 CO 0.06 -2.07 1.16 -0.69 0.21 0.00 0.00 175.17 173.85 3hqn s VAL 184 N 7.23 3.77 -0.21 -1.27 1.01 -1.26 -4.95 120.40 124.72 3hqn s VAL 184 Ca 0.53 1.46 0.12 0.00 0.00 0.00 0.00 61.98 64.09 3hqn s VAL 184 Cb -0.07 -3.93 0.41 0.00 0.00 0.00 0.00 36.38 32.80 3hqn s VAL 184 CO 0.06 0.22 1.24 -0.90 0.00 0.00 0.00 175.10 175.71 3hqn n ASP 185 N 2.73 1.90 -4.51 3.32 3.85 -1.26 -5.04 116.55 117.54 3hqn n ASP 185 Ca 0.05 -3.77 -0.31 0.00 -0.71 0.00 0.00 54.79 50.04 3hqn n ASP 185 Cb 0.46 -0.53 0.17 0.00 -1.35 0.00 0.00 41.12 39.87 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 -1.16 0.82 -4.76 -2.12 4.77 -1.26 -4.98 117.00 108.31 3hqn n LEU 186 Ca 0.20 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 56.10 3hqn n LEU 186 Cb 0.72 -1.30 0.07 0.00 -2.33 0.00 0.00 43.42 40.58 3hqn n LEU 186 CO -0.01 -2.92 0.73 -2.16 -1.33 0.00 0.00 177.39 171.70 3hqn s PRO 187 N -4.15 2.56 0.04 3.23 0.04 -1.26 -4.97 135.00 130.50 3hqn s PRO 187 Ca 0.63 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 3hqn s PRO 187 Cb -0.22 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.23 3hqn s PRO 187 CO 0.63 -1.43 1.47 0.00 0.04 0.00 0.00 177.00 177.71 3hqn h ALA 188 N -0.35 -0.39 -4.09 8.56 0.00 -1.93 -3.42 119.26 117.63 3hqn h ALA 188 Ca -0.46 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 53.77 3hqn h ALA 188 Cb 1.25 0.15 -0.30 0.00 0.00 0.00 0.00 17.79 18.88 3hqn h ALA 188 CO 0.53 -0.63 -0.83 0.14 0.00 0.00 0.00 179.25 178.46 3hqn s VAL 189 N -5.37 1.34 0.74 0.00 -7.23 -1.26 -4.48 120.40 104.14 3hqn s VAL 189 Ca -0.15 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 3hqn s VAL 189 Cb 0.03 -1.13 0.11 0.00 0.56 0.00 0.00 36.38 35.95 3hqn s VAL 189 CO 0.60 0.38 1.03 -0.94 -0.31 0.00 0.00 175.10 175.87 3hqn s SER 190 N -0.16 4.40 0.20 4.85 1.04 -1.26 -4.91 113.70 117.85 3hqn s SER 190 Ca 0.01 0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 3hqn s SER 190 Cb -0.09 -0.56 0.13 0.00 0.10 0.00 0.00 66.02 65.60 3hqn s SER 190 CO 0.01 -1.84 1.86 0.00 0.98 0.00 0.00 173.24 174.24 3hqn h ALA 191 N -0.69 0.84 -0.73 5.32 0.00 -2.00 0.05 119.26 122.05 3hqn h ALA 191 Ca -0.41 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3hqn h ALA 191 Cb 1.28 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3hqn h ALA 191 CO 0.48 0.24 0.48 -0.22 0.00 0.00 0.00 179.25 180.23 3hqn h LYS 192 N 0.87 0.79 -0.60 0.00 3.64 -1.99 -2.26 116.57 117.01 3hqn h LYS 192 Ca 0.24 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3hqn h LYS 192 Cb -0.08 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 3hqn h LYS 192 CO -0.06 0.52 0.01 -0.44 -2.27 0.00 0.00 179.45 177.21 3hqn h ASP 193 N 0.81 1.02 -0.71 4.20 3.32 -1.40 0.67 116.42 124.33 3hqn h ASP 193 Ca 0.31 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3hqn h ASP 193 Cb 0.18 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3hqn h ASP 193 CO -0.10 1.07 0.41 0.03 -1.72 0.00 0.00 179.24 178.93 3hqn h ARG 194 N 0.96 1.00 0.29 3.56 3.08 -0.75 0.26 114.38 122.78 3hqn h ARG 194 Ca 0.17 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3hqn h ARG 194 Cb 0.54 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3hqn h ARG 194 CO 0.03 0.72 -0.14 0.28 -1.07 0.00 0.00 179.97 179.79 3hqn h VAL 195 N 1.01 0.68 -0.79 2.04 2.07 -1.12 -2.46 116.25 117.68 3hqn h VAL 195 Ca 0.26 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 67.17 3hqn h VAL 195 Cb 0.01 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 3hqn h VAL 195 CO -0.04 0.13 0.42 0.44 0.02 0.00 0.00 177.57 178.54 3hqn h ASP 196 N -0.82 0.57 -0.42 0.57 3.32 -0.59 -2.19 116.42 116.86 3hqn h ASP 196 Ca -0.04 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3hqn h ASP 196 Cb 0.51 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3hqn h ASP 196 CO 0.07 0.30 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.75 3hqn h LEU 197 N 0.69 0.85 -0.53 1.55 3.38 -0.50 0.13 115.31 120.88 3hqn h LEU 197 Ca 0.40 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3hqn h LEU 197 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hqn h LEU 197 CO -0.29 0.96 -0.03 -0.61 0.09 0.00 0.00 178.44 178.56 3hqn h GLN 198 N 0.79 0.95 -0.66 1.13 5.75 -1.25 -1.06 115.11 120.75 3hqn h GLN 198 Ca 0.14 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 3hqn h GLN 198 Cb 0.57 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 3hqn h GLN 198 CO 0.04 0.98 0.40 0.35 -2.65 0.00 0.00 178.83 177.94 3hqn h PHE 199 N 0.82 0.87 -0.57 3.99 3.57 -0.95 -0.96 116.94 123.72 3hqn h PHE 199 Ca 0.15 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.74 3hqn h PHE 199 Cb 0.57 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.94 3hqn h PHE 199 CO 0.04 0.59 0.14 0.78 -2.23 0.00 0.00 178.31 177.63 3hqn h GLY 200 N 0.90 0.73 1.00 2.40 0.00 -0.42 -1.04 103.07 106.64 3hqn h GLY 200 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3hqn h GLY 200 CO -0.04 -0.08 -0.06 -2.08 0.00 0.00 0.00 176.54 174.28 3hqn h VAL 201 N 0.28 0.87 -0.80 4.60 2.07 -0.91 -0.80 116.25 121.57 3hqn h VAL 201 Ca 0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.88 3hqn h VAL 201 Cb 0.40 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3hqn h VAL 201 CO -0.35 0.00 0.52 -0.33 0.02 0.00 0.00 177.57 177.43 3hqn h GLU 202 N -0.17 0.84 -0.01 1.57 5.08 -0.90 -2.44 114.58 118.55 3hqn h GLU 202 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hqn h GLU 202 Cb 0.13 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3hqn h GLU 202 CO 0.03 0.56 -0.17 1.04 -1.00 0.00 0.00 179.01 179.46 3hqn n GLN 203 N -4.48 0.95 -2.37 2.33 1.13 -0.42 -4.96 117.38 109.56 3hqn n GLN 203 Ca 0.12 -0.50 -0.02 0.00 -1.94 0.00 0.00 57.00 54.66 3hqn n GLN 203 Cb 0.22 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.09 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 1.29 0.61 3.72 1.08 0.00 -0.36 -5.03 105.19 106.50 3hqn n GLY 204 Ca 0.14 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.65 2.24 -0.14 1.61 -7.23 -0.85 -4.96 120.40 108.42 3hqn s VAL 205 Ca 0.03 0.12 0.17 0.00 -1.81 0.00 0.00 61.98 60.49 3hqn s VAL 205 Cb -0.01 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 34.12 3hqn s VAL 205 CO 0.04 -0.06 0.91 0.44 -0.31 0.00 0.00 175.10 176.12 3hqn h ASP 206 N -0.30 0.00 -5.01 4.85 3.32 -1.58 -3.47 116.42 114.23 3hqn h ASP 206 Ca -0.48 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 3hqn h ASP 206 Cb 1.30 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.68 3hqn h ASP 206 CO 0.49 0.51 0.07 0.00 -1.72 0.00 0.00 179.24 178.60 3hqn s MET 207 N -2.97 1.04 -0.17 3.56 0.23 -1.15 -2.26 119.30 117.58 3hqn s MET 207 Ca -0.02 -0.14 -0.05 0.00 -1.03 0.00 0.00 55.69 54.44 3hqn s MET 207 Cb 0.09 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.83 3hqn s MET 207 CO 0.80 -0.37 0.01 0.42 -2.03 0.00 0.00 175.02 173.85 3hqn s ILE 208 N -2.22 4.32 -0.56 3.16 -1.09 0.13 -1.62 121.20 123.32 3hqn s ILE 208 Ca -0.06 -0.20 -0.21 0.00 -2.23 0.00 0.00 60.65 57.95 3hqn s ILE 208 Cb -0.01 -2.92 0.07 0.00 -1.58 0.00 0.00 42.46 38.02 3hqn s ILE 208 CO 0.00 0.48 0.76 -0.36 -1.23 0.00 0.00 174.94 174.59 3hqn s PHE 209 N 0.35 2.92 -0.32 3.97 0.08 -0.30 0.20 117.98 124.88 3hqn s PHE 209 Ca -0.01 -0.54 -0.19 0.00 0.12 0.00 0.00 56.93 56.31 3hqn s PHE 209 Cb -0.13 -3.88 -0.01 0.00 -0.57 0.00 0.00 43.02 38.42 3hqn s PHE 209 CO 0.02 -1.27 0.55 0.00 -0.10 0.00 0.00 175.22 174.42 3hqn s ALA 210 N 3.14 3.51 0.47 5.36 0.00 -0.31 -1.64 121.76 132.29 3hqn s ALA 210 Ca 0.18 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 3hqn s ALA 210 Cb -0.19 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3hqn s ALA 210 CO 0.12 -1.09 1.04 -1.12 0.00 0.00 0.00 175.76 174.71 3hqn s SER 211 N 1.69 6.42 -1.29 0.00 0.01 -1.26 -1.07 113.70 118.20 3hqn s SER 211 Ca 0.21 1.96 -0.07 0.00 1.31 0.00 0.00 55.95 59.36 3hqn s SER 211 Cb -0.15 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.52 3hqn s SER 211 CO 0.12 -0.73 1.12 0.33 0.41 0.00 0.00 173.24 174.49 3hqn n PHE 212 N -0.78 -2.70 -2.49 2.43 7.35 -1.22 -4.81 117.46 115.24 3hqn n PHE 212 Ca 0.08 0.97 -0.42 0.00 -0.76 0.00 0.00 57.45 57.33 3hqn n PHE 212 Cb 0.52 -4.91 -0.03 0.00 0.35 0.00 0.00 39.48 35.41 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 -3.31 4.13 0.00 -2.13 -1.09 -0.32 -4.90 121.20 113.58 3hqn s ILE 213 Ca 0.49 1.59 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 3hqn s ILE 213 Cb -0.22 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 3hqn s ILE 213 CO 0.70 0.16 0.00 0.54 -1.23 0.00 0.00 174.94 175.11 3hqn n ARG 214 N 3.58 2.96 -3.53 2.79 1.74 -1.26 -4.14 116.66 118.81 3hqn n ARG 214 Ca 0.07 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 3hqn n ARG 214 Cb 0.47 -0.75 -0.02 0.00 -1.02 0.00 0.00 32.46 31.14 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 -1.47 -0.48 0.21 0.55 1.04 -1.26 -4.02 113.70 108.27 3hqn s SER 215 Ca 0.00 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 3hqn s SER 215 Cb 0.00 0.60 0.16 0.00 0.10 0.00 0.00 66.02 66.89 3hqn s SER 215 CO 0.00 -1.02 1.84 0.00 0.98 0.00 0.00 173.24 175.05 3hqn h ALA 216 N 2.00 1.01 -0.93 5.32 0.00 -1.87 -2.78 119.26 122.01 3hqn h ALA 216 Ca -0.30 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.62 3hqn h ALA 216 Cb 1.29 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 3hqn h ALA 216 CO 0.34 0.51 0.59 1.49 0.00 0.00 0.00 179.25 182.18 3hqn h GLU 217 N 1.10 0.86 0.00 0.00 4.81 -1.97 -0.08 114.58 119.29 3hqn h GLU 217 Ca 0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3hqn h GLU 217 Cb 0.01 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 3hqn h GLU 217 CO -0.05 0.57 -0.00 1.96 -0.73 0.00 0.00 179.01 180.76 3hqn h GLN 218 N 0.89 0.00 -0.04 1.92 4.20 -1.91 -1.46 115.11 118.70 3hqn h GLN 218 Ca 0.44 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.95 3hqn h GLN 218 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3hqn h GLN 218 CO -0.21 0.00 -0.83 0.28 -0.67 0.00 0.00 178.83 177.41 3hqn h VAL 219 N 0.00 1.39 -0.48 -0.54 2.07 -1.07 -2.91 116.25 114.72 3hqn h VAL 219 Ca -0.00 -2.29 -0.05 0.00 0.82 0.00 0.00 66.70 65.18 3hqn h VAL 219 Cb 0.23 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3hqn h VAL 219 CO 0.00 0.69 0.10 1.23 0.02 0.00 0.00 177.57 179.60 3hqn h GLY 220 N 1.28 0.78 1.37 2.17 0.00 -1.24 -0.96 103.07 106.47 3hqn h GLY 220 Ca -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3hqn h GLY 220 CO 0.14 0.42 0.15 -0.55 0.00 0.00 0.00 176.54 176.70 3hqn h ASP 221 N 0.70 0.74 -0.24 0.19 3.32 -1.36 0.35 116.42 120.13 3hqn h ASP 221 Ca 0.16 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3hqn h ASP 221 Cb 0.29 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hqn h ASP 221 CO 0.00 0.71 -0.45 0.58 -1.72 0.00 0.00 179.24 178.36 3hqn h VAL 222 N 0.77 1.30 -0.36 -1.35 2.07 -1.20 -1.92 116.25 115.57 3hqn h VAL 222 Ca 0.17 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 3hqn h VAL 222 Cb 0.26 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3hqn h VAL 222 CO -0.01 0.53 0.18 -0.09 0.02 0.00 0.00 177.57 178.20 3hqn h ARG 223 N 0.45 0.51 -0.46 1.57 9.65 -0.72 -2.50 114.38 122.89 3hqn h ARG 223 Ca 0.01 -0.07 0.09 0.00 -1.10 0.00 0.00 59.98 58.91 3hqn h ARG 223 Cb 1.06 -0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 29.45 3hqn h ARG 223 CO 0.10 0.45 -0.21 0.87 2.80 0.00 0.00 179.97 183.98 3hqn h LYS 224 N 0.44 -0.11 0.00 0.20 1.57 -0.26 -2.24 116.57 116.18 3hqn h LYS 224 Ca 0.12 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3hqn h LYS 224 Cb 0.11 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3hqn h LYS 224 CO -0.02 -0.07 -0.05 0.00 -0.57 0.00 0.00 179.45 178.74 3hqn h ALA 225 N 1.19 1.50 0.02 3.86 0.00 -1.01 -1.39 119.26 123.44 3hqn h ALA 225 Ca 0.22 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3hqn h ALA 225 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hqn h ALA 225 CO -0.53 0.06 -0.97 -0.07 0.00 0.00 0.00 179.25 177.75 3hqn h LEU 226 N 0.00 0.15 0.00 0.00 3.38 -1.00 -3.39 115.31 114.45 3hqn h LEU 226 Ca -0.00 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hqn h LEU 226 Cb 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hqn h LEU 226 CO 0.01 1.03 -0.04 0.61 0.09 0.00 0.00 178.44 180.14 3hqn n GLY 227 N 1.12 -2.12 0.22 0.83 0.00 -0.52 -2.68 105.19 102.04 3hqn n GLY 227 Ca -0.03 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.89 -1.90 132.00 129.95 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 0.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.22 3hqn h PRO 228 CO 0.00 0.13 0.00 1.63 -0.23 0.00 0.00 178.00 179.53 3hqn n LYS 229 N -3.17 0.10 -0.76 0.86 5.02 -1.26 -3.46 118.16 115.48 3hqn n LYS 229 Ca 0.02 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 3hqn n LYS 229 Cb 0.50 -1.63 0.36 0.00 -0.02 0.00 0.00 35.03 34.24 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 1.08 3.36 0.21 0.72 0.00 -0.71 -4.71 105.19 105.13 3hqn n GLY 230 Ca 0.06 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 3.27 0.00 -0.12 1.61 0.11 -1.61 -2.86 114.38 114.79 3hqn h ARG 231 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 3hqn h ARG 231 Cb 1.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.91 3hqn h ARG 231 CO 0.42 0.28 0.00 -0.25 0.10 0.00 0.00 179.97 180.52 3hqn n ASP 232 N -3.70 1.54 -4.73 0.08 8.00 -1.26 -4.89 116.55 111.59 3hqn n ASP 232 Ca -0.01 -1.63 -0.40 0.00 0.71 0.00 0.00 54.79 53.46 3hqn n ASP 232 Cb 0.39 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.86 4.94 0.29 0.53 1.01 -1.08 -5.01 121.20 120.01 3hqn s ILE 233 Ca 0.34 1.46 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 3hqn s ILE 233 Cb 0.18 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 3hqn s ILE 233 CO 0.28 0.31 1.12 -0.04 0.00 0.00 0.00 174.94 176.62 3hqn s MET 234 N 0.39 4.61 -0.31 2.79 -1.94 -0.96 -4.87 119.30 119.00 3hqn s MET 234 Ca 0.37 1.85 -0.07 0.00 -1.71 0.00 0.00 55.69 56.13 3hqn s MET 234 Cb -0.19 -3.17 0.02 0.00 2.01 0.00 0.00 34.83 33.50 3hqn s MET 234 CO 0.19 0.17 0.09 0.42 -0.01 0.00 0.00 175.02 175.88 3hqn s ILE 235 N -1.16 3.90 -0.29 2.53 1.01 -1.26 0.20 121.20 126.13 3hqn s ILE 235 Ca 0.45 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 3hqn s ILE 235 Cb -0.33 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 3hqn s ILE 235 CO 0.42 -0.03 0.18 -0.63 0.00 0.00 0.00 174.94 174.88 3hqn s ILE 236 N 1.46 5.05 -0.07 2.92 -1.09 0.13 -1.19 121.20 128.41 3hqn s ILE 236 Ca 0.01 -0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.08 3hqn s ILE 236 Cb -0.18 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 3hqn s ILE 236 CO 0.03 0.18 1.10 0.00 -1.23 0.00 0.00 174.94 175.01 3hqn s LYS 238 N 2.01 4.27 -0.34 0.00 1.02 -0.23 -1.02 119.74 125.46 3hqn s LYS 238 Ca 0.52 0.84 -0.13 0.00 0.02 0.00 0.00 55.97 57.22 3hqn s LYS 238 Cb -0.22 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 3hqn s LYS 238 CO 0.21 -0.26 0.25 0.42 -0.92 0.00 0.00 175.35 175.04 3hqn s ILE 239 N 1.96 5.28 0.00 2.17 -1.09 -0.61 -1.17 121.20 127.73 3hqn s ILE 239 Ca 0.34 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 3hqn s ILE 239 Cb -0.16 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 3hqn s ILE 239 CO 0.12 -0.00 0.06 -0.62 -1.23 0.00 0.00 174.94 173.26 3hqn n GLU 240 N 5.13 1.58 -3.92 2.79 1.02 -1.26 -2.58 120.64 123.39 3hqn n GLU 240 Ca -0.12 -0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 56.83 3hqn n GLU 240 Cb 0.50 -0.34 -0.01 0.00 -0.02 0.00 0.00 31.44 31.57 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 -0.24 -1.65 0.18 1.62 6.94 -1.26 -2.74 115.26 118.11 3hqn n ASN 241 Ca 0.00 -2.81 0.06 0.00 -0.02 0.00 0.00 54.58 51.80 3hqn n ASN 241 Cb 0.05 2.94 0.52 0.00 -2.36 0.00 0.00 39.78 40.93 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 2.01 0.12 -0.36 -2.53 2.07 -1.91 -2.44 115.15 112.11 3hqn h HIS 242 Ca -0.29 -0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.15 3hqn h HIS 242 Cb 1.21 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 3hqn h HIS 242 CO 0.00 0.17 -0.08 1.96 -3.07 0.00 0.00 177.93 176.91 3hqn h GLN 243 N 0.13 0.70 -0.50 5.12 4.20 -1.93 -0.19 115.11 122.63 3hqn h GLN 243 Ca 0.03 -0.26 0.08 0.00 0.06 0.00 0.00 58.65 58.56 3hqn h GLN 243 Cb 0.15 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 3hqn h GLN 243 CO 0.01 0.85 0.13 0.78 -0.67 0.00 0.00 178.83 179.93 3hqn h GLY 244 N 0.49 0.64 0.97 3.46 0.00 -1.59 -0.07 103.07 106.97 3hqn h GLY 244 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hqn h GLY 244 CO 0.03 -0.04 0.22 -2.08 0.00 0.00 0.00 176.54 174.67 3hqn h VAL 245 N 0.28 1.19 -0.49 4.60 2.07 -1.01 -1.23 116.25 121.67 3hqn h VAL 245 Ca 0.25 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3hqn h VAL 245 Cb 0.31 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3hqn h VAL 245 CO -0.30 0.21 0.10 1.56 0.02 0.00 0.00 177.57 179.17 3hqn h GLN 246 N 0.61 0.80 -0.61 1.57 4.20 -0.73 -2.16 115.11 118.79 3hqn h GLN 246 Ca 0.16 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hqn h GLN 246 Cb 0.13 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3hqn h GLN 246 CO -0.02 0.78 0.00 0.09 -0.67 0.00 0.00 178.83 179.01 3hqn n ASN 247 N -4.45 2.97 -0.28 1.46 3.02 -0.07 -4.59 115.26 113.33 3hqn n ASN 247 Ca 0.01 -2.28 0.10 0.00 -0.03 0.00 0.00 54.58 52.38 3hqn n ASN 247 Cb 0.23 -0.46 0.26 0.00 -0.61 0.00 0.00 39.78 39.20 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 2.28 0.45 -0.49 2.41 6.09 -0.53 -2.33 117.51 125.38 3hqn h ILE 248 Ca 0.00 -0.11 -0.03 0.00 -1.37 0.00 0.00 64.86 63.36 3hqn h ILE 248 Cb 0.97 0.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.35 3hqn h ILE 248 CO 0.15 0.06 0.20 0.44 -3.07 0.00 0.00 178.15 175.93 3hqn h ASP 249 N 0.31 0.68 0.44 2.19 3.32 -1.85 -0.68 116.42 120.83 3hqn h ASP 249 Ca 0.51 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 57.24 3hqn h ASP 249 Cb 0.95 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3hqn h ASP 249 CO -0.55 0.66 -0.64 0.77 -1.72 0.00 0.00 179.24 177.75 3hqn h SER 250 N 0.66 0.22 -0.14 6.45 4.64 -1.85 -2.34 113.55 121.19 3hqn h SER 250 Ca 0.16 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3hqn h SER 250 Cb 0.19 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3hqn h SER 250 CO -0.01 0.81 -0.00 0.40 -0.87 0.00 0.00 176.83 177.15 3hqn h ILE 251 N 0.14 1.26 -0.61 0.95 2.04 -1.07 -2.70 117.51 117.52 3hqn h ILE 251 Ca -0.01 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.09 3hqn h ILE 251 Cb 1.16 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.72 3hqn h ILE 251 CO 0.10 0.25 0.26 0.40 0.00 0.00 0.00 178.15 179.15 3hqn h ILE 252 N -0.03 0.83 -0.47 -0.67 2.04 -1.11 0.94 117.51 119.04 3hqn h ILE 252 Ca 0.04 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3hqn h ILE 252 Cb 0.38 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3hqn h ILE 252 CO 0.01 0.09 0.26 -0.08 0.00 0.00 0.00 178.15 178.42 3hqn h GLU 253 N 0.47 0.63 0.00 2.37 4.81 -1.30 -2.84 114.58 118.72 3hqn h GLU 253 Ca 0.30 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.30 3hqn h GLU 253 Cb 0.32 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3hqn h GLU 253 CO -0.27 0.47 -1.09 0.93 -0.73 0.00 0.00 179.01 178.32 3hqn h GLU 254 N 0.64 0.00 -7.27 1.92 4.39 -1.06 -3.48 114.58 109.72 3hqn h GLU 254 Ca 0.17 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.41 3hqn h GLU 254 Cb 0.01 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 28.76 3hqn h GLU 254 CO -0.03 0.49 0.18 -1.54 -1.16 0.00 0.00 179.01 176.95 3hqn s SER 255 N -6.17 4.19 0.00 1.42 1.04 0.26 -4.99 113.70 109.45 3hqn s SER 255 Ca -0.00 -0.10 0.23 0.00 0.48 0.00 0.00 55.95 56.55 3hqn s SER 255 Cb 0.08 -0.26 0.11 0.00 0.10 0.00 0.00 66.02 66.05 3hqn s SER 255 CO 0.79 -1.98 1.16 0.47 0.98 0.00 0.00 173.24 174.66 3hqn n ASP 256 N -3.02 1.85 0.00 7.02 8.00 -0.34 -4.93 116.55 125.13 3hqn n ASP 256 Ca 0.14 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3hqn n ASP 256 Cb 0.60 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 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 1.41 -1.98 3.02 0.44 0.00 -1.21 -3.90 105.19 102.98 3hqn n GLY 257 Ca 0.10 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.02 0.57 -0.15 -0.61 -1.09 -0.40 -1.40 121.20 116.10 3hqn s ILE 258 Ca 0.00 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 3hqn s ILE 258 Cb 0.00 -0.55 -0.00 0.00 -1.58 0.00 0.00 42.46 40.33 3hqn s ILE 258 CO 0.00 -0.06 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.18 3hqn s MET 259 N -0.77 3.22 -0.51 2.79 -2.45 -0.19 0.05 119.30 121.45 3hqn s MET 259 Ca -0.02 -0.75 -0.23 0.00 -1.25 0.00 0.00 55.69 53.44 3hqn s MET 259 Cb -0.06 -2.63 0.04 0.00 1.25 0.00 0.00 34.83 33.44 3hqn s MET 259 CO 0.00 0.03 0.84 0.08 1.05 0.00 0.00 175.02 177.01 3hqn s VAL 260 N 0.79 4.56 -1.08 10.11 1.01 0.13 -1.57 120.40 134.35 3hqn s VAL 260 Ca -0.06 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 3hqn s VAL 260 Cb -0.15 -4.43 0.23 0.00 0.00 0.00 0.00 36.38 32.03 3hqn s VAL 260 CO 0.00 -0.93 1.15 0.00 0.00 0.00 0.00 175.10 175.32 3hqn s ALA 261 N 3.50 4.34 0.26 5.51 0.00 -1.07 -1.72 121.76 132.59 3hqn s ALA 261 Ca 0.28 -3.56 -0.01 0.00 0.00 0.00 0.00 51.96 48.67 3hqn s ALA 261 Cb -0.14 -3.75 0.47 0.00 0.00 0.00 0.00 23.12 19.71 3hqn s ALA 261 CO 0.19 -2.43 1.83 0.00 0.00 0.00 0.00 175.76 175.35 3hqn h ARG 262 N 7.14 0.89 -0.40 0.00 -0.00 -1.72 -1.91 114.38 118.38 3hqn h ARG 262 Ca 0.20 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.49 3hqn h ARG 262 Cb 0.91 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.67 3hqn h ARG 262 CO 1.04 0.59 -0.31 0.78 0.00 0.00 0.00 179.97 182.07 3hqn h GLY 263 N 0.91 1.00 1.03 0.04 0.00 -1.84 -0.30 103.07 103.91 3hqn h GLY 263 Ca 0.45 -0.97 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 3hqn h GLY 263 CO -0.25 0.88 -0.12 -0.55 0.00 0.00 0.00 176.54 176.50 3hqn h ASP 264 N 0.74 0.88 -0.80 0.19 3.32 -1.81 -3.04 116.42 115.92 3hqn h ASP 264 Ca 0.08 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 3hqn h ASP 264 Cb 0.89 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 3hqn h ASP 264 CO 0.08 1.04 0.36 -0.07 -1.72 0.00 0.00 179.24 178.94 3hqn h LEU 265 N 0.71 1.06 -2.31 1.55 3.38 -1.15 -2.50 115.31 116.04 3hqn h LEU 265 Ca 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hqn h LEU 265 Cb 0.66 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hqn h LEU 265 CO 0.05 0.91 0.00 1.23 0.09 0.00 0.00 178.44 180.72 3hqn h GLY 266 N 1.13 0.00 0.84 0.83 0.00 -0.98 -1.83 103.07 103.07 3hqn h GLY 266 Ca 0.27 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.63 3hqn h GLY 266 CO -0.03 0.00 0.37 -2.08 0.00 0.00 0.00 176.54 174.80 3hqn h VAL 267 N 0.00 1.05 -0.00 4.60 2.07 -1.33 -3.33 116.25 119.31 3hqn h VAL 267 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hqn h VAL 267 Cb 0.08 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3hqn h VAL 267 CO 0.00 0.13 -0.49 -1.84 0.02 0.00 0.00 177.57 175.39 3hqn n GLU 268 N -4.75 3.48 -5.15 1.57 0.28 -1.05 -4.92 120.64 110.10 3hqn n GLU 268 Ca 0.06 -0.02 -0.32 0.00 -0.16 0.00 0.00 57.16 56.72 3hqn n GLU 268 Cb 0.10 -1.00 -0.16 0.00 1.43 0.00 0.00 31.44 31.80 3hqn n GLU 268 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hqn s ILE 269 N -1.98 2.26 0.40 3.84 1.01 -0.71 -4.90 121.20 121.12 3hqn s ILE 269 Ca 0.04 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 3hqn s ILE 269 Cb 0.08 -1.86 -0.11 0.00 0.01 0.00 0.00 42.46 40.57 3hqn s ILE 269 CO 0.43 0.56 0.89 -2.65 0.00 0.00 0.00 174.94 174.17 3hqn n PRO 270 N 3.25 1.13 -0.26 2.79 -0.02 -1.26 -4.28 135.00 136.35 3hqn n PRO 270 Ca -0.18 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.75 3hqn n PRO 270 Cb 0.53 -1.88 0.27 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.38 1.56 0.00 3.55 0.00 -1.97 -0.17 119.26 123.61 3hqn h ALA 271 Ca -0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3hqn h ALA 271 Cb 1.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hqn h ALA 271 CO 0.56 0.33 -0.39 1.05 0.00 0.00 0.00 179.25 180.79 3hqn h GLU 272 N 0.95 0.00 0.00 0.00 9.09 -2.01 -1.80 114.58 120.82 3hqn h GLU 272 Ca 0.35 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.53 3hqn h GLU 272 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 3hqn h GLU 272 CO -0.12 0.39 -0.96 0.87 0.05 0.00 0.00 179.01 179.24 3hqn h LYS 273 N 0.00 0.43 -0.84 1.06 1.57 -1.40 -3.11 116.57 114.27 3hqn h LYS 273 Ca -0.00 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3hqn h LYS 273 Cb 0.71 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 3hqn h LYS 273 CO 0.05 1.13 0.46 0.28 -0.57 0.00 0.00 179.45 180.80 3hqn h VAL 274 N 0.24 1.25 -0.70 0.50 2.07 -0.87 0.39 116.25 119.13 3hqn h VAL 274 Ca -0.09 -0.61 0.14 0.00 0.82 0.00 0.00 66.70 66.97 3hqn h VAL 274 Cb 1.60 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 3hqn h VAL 274 CO 0.17 0.28 0.18 0.58 0.02 0.00 0.00 177.57 178.79 3hqn h VAL 275 N 1.18 0.57 -0.14 2.57 2.07 -1.32 0.12 116.25 121.30 3hqn h VAL 275 Ca 0.30 -0.10 -0.17 0.00 0.82 0.00 0.00 66.70 67.54 3hqn h VAL 275 Cb 0.03 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3hqn h VAL 275 CO -0.05 0.05 -0.60 0.58 0.02 0.00 0.00 177.57 177.58 3hqn h VAL 276 N 0.29 1.33 -0.80 2.57 2.07 -1.41 -2.86 116.25 117.43 3hqn h VAL 276 Ca 0.38 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 3hqn h VAL 276 Cb 0.62 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 3hqn h VAL 276 CO -0.46 0.57 0.50 0.00 0.02 0.00 0.00 177.57 178.19 3hqn h ALA 277 N 0.52 1.37 -0.55 1.67 0.00 -0.49 -1.20 119.26 120.59 3hqn h ALA 277 Ca -0.04 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hqn h ALA 277 Cb 1.23 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3hqn h ALA 277 CO 0.12 0.56 0.22 0.37 0.00 0.00 0.00 179.25 180.52 3hqn h GLN 278 N 1.09 0.41 -0.89 0.00 4.15 -0.72 0.93 115.11 120.09 3hqn h GLN 278 Ca 0.29 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.72 3hqn h GLN 278 Cb -0.07 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.47 3hqn h GLN 278 CO -0.06 0.27 0.57 0.87 -1.93 0.00 0.00 178.83 178.56 3hqn h LYS 279 N 0.43 1.07 -0.06 1.69 1.57 -1.06 -0.20 116.57 120.01 3hqn h LYS 279 Ca 0.26 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3hqn h LYS 279 Cb 0.27 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hqn h LYS 279 CO -0.24 0.71 -0.02 0.82 -0.57 0.00 0.00 179.45 180.14 3hqn h ILE 280 N 1.11 1.32 -0.68 1.86 2.04 -0.87 -1.31 117.51 120.98 3hqn h ILE 280 Ca 0.35 -1.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 3hqn h ILE 280 Cb 0.01 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3hqn h ILE 280 CO -0.12 0.27 0.12 -0.07 0.00 0.00 0.00 178.15 178.35 3hqn h LEU 281 N -0.26 1.06 -0.51 1.44 3.38 -0.68 -0.68 115.31 119.07 3hqn h LEU 281 Ca 0.01 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3hqn h LEU 281 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hqn h LEU 281 CO 0.01 1.05 -0.00 0.40 0.09 0.00 0.00 178.44 179.98 3hqn h ILE 282 N 1.04 1.26 -0.62 1.22 2.04 -0.98 -2.05 117.51 119.42 3hqn h ILE 282 Ca 0.21 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 3hqn h ILE 282 Cb 0.43 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3hqn h ILE 282 CO 0.01 0.39 0.19 0.28 0.00 0.00 0.00 178.15 179.02 3hqn h SER 283 N 0.77 0.91 -0.72 1.72 0.02 -0.90 0.12 113.55 115.47 3hqn h SER 283 Ca 0.14 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3hqn h SER 283 Cb 0.53 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3hqn h SER 283 CO 0.03 0.88 0.46 0.11 -1.14 0.00 0.00 176.83 177.16 3hqn h LYS 284 N 0.89 0.87 -0.53 3.45 1.57 -1.03 -1.37 116.57 120.42 3hqn h LYS 284 Ca 0.20 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3hqn h LYS 284 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3hqn h LYS 284 CO -0.01 0.57 -0.08 0.00 -0.57 0.00 0.00 179.45 179.37 3hqn h ASN 286 N 0.86 0.32 -0.71 0.00 -0.26 -0.45 -0.50 115.58 114.85 3hqn h ASN 286 Ca 0.14 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.89 3hqn h ASN 286 Cb 0.64 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.85 3hqn h ASN 286 CO 0.04 0.22 0.35 0.58 -1.06 0.00 0.00 177.43 177.56 3hqn h VAL 287 N 0.47 1.23 0.00 2.81 2.07 -1.22 -2.52 116.25 119.09 3hqn h VAL 287 Ca 0.24 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3hqn h VAL 287 Cb 0.18 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3hqn h VAL 287 CO -0.19 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.68 3hqn n ALA 288 N -2.43 1.86 -2.17 1.67 0.00 -0.42 -4.91 120.51 114.11 3hqn n ALA 288 Ca 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 3hqn n ALA 288 Cb 0.14 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 0.43 0.09 3.23 0.00 0.00 -0.26 -5.04 105.19 103.64 3hqn n GLY 289 Ca 0.04 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.41 1.37 0.53 1.61 1.02 -0.90 -4.80 119.74 114.16 3hqn s LYS 290 Ca 0.01 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 54.90 3hqn s LYS 290 Cb -0.00 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.81 3hqn s LYS 290 CO 0.01 0.37 1.34 -2.14 -0.92 0.00 0.00 175.35 174.01 3hqn s PRO 291 N -1.05 3.26 -0.03 -1.68 0.01 -1.25 -4.38 135.00 129.87 3hqn s PRO 291 Ca 0.07 2.19 0.02 0.00 0.01 0.00 0.00 61.00 63.29 3hqn s PRO 291 Cb -0.08 -2.31 0.01 0.00 0.01 0.00 0.00 34.50 32.13 3hqn s PRO 291 CO 0.01 -1.08 -0.06 0.54 0.01 0.00 0.00 177.00 176.43 3hqn s VAL 292 N -1.32 0.56 -0.11 3.83 0.11 -1.26 -1.28 120.40 120.93 3hqn s VAL 292 Ca 0.70 -0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 59.54 3hqn s VAL 292 Cb -0.39 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3hqn s VAL 292 CO 0.47 0.20 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.73 3hqn s ILE 293 N 0.49 3.52 -0.29 7.04 1.01 0.11 -1.11 121.20 131.97 3hqn s ILE 293 Ca -0.07 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 3hqn s ILE 293 Cb -0.10 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3hqn s ILE 293 CO 0.00 0.55 0.45 0.00 0.00 0.00 0.00 174.94 175.93 3hqn s ALA 295 N 2.21 1.67 0.30 0.00 0.00 -0.70 -1.82 121.76 123.42 3hqn s ALA 295 Ca 0.17 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3hqn s ALA 295 Cb -0.16 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3hqn s ALA 295 CO 0.11 -0.07 0.00 0.25 0.00 0.00 0.00 175.76 176.05 3hqn n THR 296 N -0.28 -2.03 -4.00 0.00 -2.24 -1.26 -2.20 114.28 102.26 3hqn n THR 296 Ca -0.09 0.91 -0.28 0.00 -2.27 0.00 0.00 64.05 62.32 3hqn n THR 296 Cb 0.61 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.42 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 -1.73 -3.50 -0.01 -0.78 6.02 -1.26 -4.70 117.38 111.42 3hqn n GLN 297 Ca 0.00 0.42 -0.00 0.00 -0.01 0.00 0.00 57.00 57.41 3hqn n GLN 297 Cb 0.17 -4.76 -0.00 0.00 1.02 0.00 0.00 30.24 26.67 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 -1.78 0.00 -1.40 -1.09 2.86 -1.90 -3.42 114.93 108.20 3hqn h MET 298 Ca -0.62 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.53 3hqn h MET 298 Cb 1.38 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.63 3hqn h MET 298 CO 0.66 0.00 -0.94 1.28 1.06 0.00 0.00 176.91 178.98 3hqn n LEU 299 N -2.63 3.19 -0.34 1.22 4.77 -1.26 -4.70 117.00 117.24 3hqn n LEU 299 Ca -0.01 -4.65 -0.01 0.00 -0.03 0.00 0.00 56.01 51.32 3hqn n LEU 299 Cb 0.02 -0.05 0.15 0.00 -2.33 0.00 0.00 43.42 41.22 3hqn n LEU 299 CO 0.01 1.98 1.28 -0.08 -1.33 0.00 0.00 177.39 179.26 3hqn h GLU 300 N 2.80 1.23 0.00 3.23 4.81 -1.97 -1.25 114.58 123.42 3hqn h GLU 300 Ca 0.12 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hqn h GLU 300 Cb 1.00 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3hqn h GLU 300 CO 0.69 0.81 0.00 0.66 -0.73 0.00 0.00 179.01 180.44 3hqn h SER 301 N 1.26 0.00 0.00 1.04 4.64 -1.93 -0.45 113.55 118.11 3hqn h SER 301 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hqn h SER 301 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3hqn h SER 301 CO -0.09 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.67 3hqn n MET 302 N -2.49 0.97 -0.18 4.77 0.00 -0.47 -1.93 117.12 117.78 3hqn n MET 302 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.70 57.64 3hqn n MET 302 Cb 0.15 -1.48 0.04 0.00 0.00 0.00 0.00 33.22 31.93 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 0.00 1.07 0.00 1.12 2.02 -1.21 -3.38 112.91 112.54 3hqn h THR 303 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hqn h THR 303 Cb 0.00 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3hqn h THR 303 CO 0.00 0.12 -0.68 -1.22 0.37 0.00 0.00 175.52 174.10 3hqn n TYR 304 N -4.77 0.00 -4.18 3.16 4.01 -1.21 -0.69 117.16 113.48 3hqn n TYR 304 Ca 0.04 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.49 3hqn n TYR 304 Cb 0.06 -0.05 -0.08 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.95 4.76 0.00 7.72 0.02 -0.81 -4.96 114.94 119.73 3hqn s ASN 305 Ca 0.00 -0.32 0.23 0.00 -1.02 0.00 0.00 52.86 51.75 3hqn s ASN 305 Cb 0.03 -1.03 1.07 0.00 0.02 0.00 0.00 41.25 41.34 3hqn s ASN 305 CO 0.19 0.14 1.74 -0.81 0.02 0.00 0.00 177.10 178.38 3hqn n PRO 306 N 0.29 0.18 -3.90 -0.60 -0.04 -1.26 -4.33 135.00 125.34 3hqn n PRO 306 Ca -0.11 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 3hqn n PRO 306 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 3hqn n PRO 306 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hqn s ARG 307 N -2.76 0.42 0.88 0.54 0.52 -1.26 -5.00 118.95 112.29 3hqn s ARG 307 Ca 0.17 -0.45 -0.09 0.00 -0.52 0.00 0.00 55.73 54.84 3hqn s ARG 307 Cb 0.15 0.17 0.19 0.00 0.52 0.00 0.00 34.95 35.98 3hqn s ARG 307 CO 0.38 -0.09 1.20 -0.35 0.02 0.00 0.00 175.30 176.45 3hqn n PRO 308 N 1.53 -0.77 -2.37 3.54 -0.04 -1.26 -4.51 135.00 131.12 3hqn n PRO 308 Ca -0.23 -2.40 -0.27 0.00 -0.04 0.00 0.00 63.50 60.56 3hqn n PRO 308 Cb 0.55 -1.06 0.03 0.00 -0.04 0.00 0.00 33.50 32.98 3hqn n PRO 308 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hqn s THR 309 N -3.59 3.70 0.31 0.52 -4.23 -1.26 -4.96 115.64 106.13 3hqn s THR 309 Ca 0.72 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 3hqn s THR 309 Cb -0.03 -3.47 0.15 0.00 1.34 0.00 0.00 72.50 70.49 3hqn s THR 309 CO 0.50 -0.50 1.84 -0.09 -0.54 0.00 0.00 174.62 175.83 3hqn h ARG 310 N -0.19 0.65 -0.16 3.99 2.43 -2.00 -2.17 114.38 116.93 3hqn h ARG 310 Ca -0.45 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.49 3hqn h ARG 310 Cb 1.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3hqn h ARG 310 CO 0.61 0.65 -0.28 0.00 -1.51 0.00 0.00 179.97 179.43 3hqn h ALA 311 N 1.42 1.23 -0.36 2.80 0.00 -2.00 -1.53 119.26 120.82 3hqn h ALA 311 Ca 0.13 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3hqn h ALA 311 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hqn h ALA 311 CO 0.01 0.51 -0.27 0.93 0.00 0.00 0.00 179.25 180.44 3hqn h GLU 312 N 0.27 0.74 -0.06 0.00 5.08 -1.73 -1.29 114.58 117.59 3hqn h GLU 312 Ca 0.04 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3hqn h GLU 312 Cb 0.64 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hqn h GLU 312 CO 0.05 0.93 0.03 0.28 -1.00 0.00 0.00 179.01 179.30 3hqn h VAL 313 N 0.64 1.09 -0.65 3.13 2.07 -0.86 -2.29 116.25 119.38 3hqn h VAL 313 Ca 0.08 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3hqn h VAL 313 Cb 0.78 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3hqn h VAL 313 CO 0.06 0.08 0.43 0.77 0.02 0.00 0.00 177.57 178.93 3hqn h SER 314 N 0.00 0.71 -0.34 0.57 4.64 -1.11 -0.55 113.55 117.47 3hqn h SER 314 Ca 0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hqn h SER 314 Cb 0.09 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3hqn h SER 314 CO -0.00 0.50 0.22 -0.78 -0.87 0.00 0.00 176.83 175.90 3hqn h ASP 315 N 0.83 0.40 0.03 4.97 3.58 -0.97 0.27 116.42 125.54 3hqn h ASP 315 Ca 0.25 -0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.68 3hqn h ASP 315 Cb -0.03 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3hqn h ASP 315 CO -0.06 0.31 -0.07 0.58 -2.88 0.00 0.00 179.24 177.12 3hqn h VAL 316 N 0.45 0.84 -0.62 2.25 2.07 -1.14 -1.56 116.25 118.54 3hqn h VAL 316 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 3hqn h VAL 316 Cb -0.03 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3hqn h VAL 316 CO -0.03 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.93 3hqn h ALA 317 N 0.82 0.82 0.00 1.67 0.00 -0.65 -2.58 119.26 119.34 3hqn h ALA 317 Ca 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hqn h ALA 317 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hqn h ALA 317 CO -0.04 0.07 -0.24 -0.91 0.00 0.00 0.00 179.25 178.13 3hqn h ASN 318 N 0.70 0.00 -0.63 0.00 2.35 -0.24 -0.85 115.58 116.90 3hqn h ASN 318 Ca 0.26 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 3hqn h ASN 318 Cb 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3hqn h ASN 318 CO -0.14 0.24 0.32 0.00 -1.65 0.00 0.00 177.43 176.21 3hqn h ALA 319 N 1.76 0.81 -0.31 -0.83 0.00 -0.89 0.20 119.26 120.01 3hqn h ALA 319 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3hqn h ALA 319 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hqn h ALA 319 CO 0.03 0.36 -0.06 0.28 0.00 0.00 0.00 179.25 179.86 3hqn h VAL 320 N 0.87 1.28 -0.37 0.00 2.07 -1.19 -1.17 116.25 117.74 3hqn h VAL 320 Ca 0.22 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3hqn h VAL 320 Cb 0.09 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3hqn h VAL 320 CO -0.03 0.35 0.24 -0.26 0.02 0.00 0.00 177.57 177.89 3hqn h PHE 321 N 0.36 0.45 0.00 1.57 0.04 -1.05 -1.93 116.94 116.37 3hqn h PHE 321 Ca 0.08 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 3hqn h PHE 321 Cb 0.54 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 3hqn h PHE 321 CO 0.05 0.28 -0.10 -0.91 -0.60 0.00 0.00 178.31 177.03 3hqn h ASN 322 N 0.48 0.00 0.00 2.17 -0.26 -0.43 -3.46 115.58 114.08 3hqn h ASN 322 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3hqn h ASN 322 Cb -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3hqn h ASN 322 CO -0.03 0.10 0.00 0.61 -1.06 0.00 0.00 177.43 177.05 3hqn n GLY 323 N -0.47 1.62 3.77 2.83 0.00 -0.73 -4.57 105.19 107.64 3hqn n GLY 323 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3hqn n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqn s ALA 324 N -2.00 3.52 0.09 4.61 0.00 -0.46 -4.91 121.76 122.61 3hqn s ALA 324 Ca 0.00 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 3hqn s ALA 324 Cb 0.00 -3.50 -0.18 0.00 0.00 0.00 0.00 23.12 19.44 3hqn s ALA 324 CO 0.00 -0.69 1.24 -0.44 0.00 0.00 0.00 175.76 175.86 3hqn h ASP 325 N 3.52 0.82 -4.40 0.00 5.19 -1.45 -3.45 116.42 116.65 3hqn h ASP 325 Ca -0.49 -0.64 -0.33 0.00 -0.62 0.00 0.00 57.03 54.95 3hqn h ASP 325 Cb 1.23 -0.25 -0.19 0.00 0.18 0.00 0.00 39.33 40.30 3hqn h ASP 325 CO 0.67 1.44 -0.74 0.00 -3.12 0.00 0.00 179.24 177.49 3hqn s VAL 327 N -2.17 1.94 -0.05 0.00 -7.23 -0.69 -1.08 120.40 111.13 3hqn s VAL 327 Ca 0.03 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3hqn s VAL 327 Cb -0.05 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3hqn s VAL 327 CO 0.01 0.19 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.56 3hqn s MET 328 N -1.48 1.40 -0.07 4.82 0.00 -0.75 -1.27 119.30 121.94 3hqn s MET 328 Ca 0.10 -0.37 -0.05 0.00 0.00 0.00 0.00 55.69 55.37 3hqn s MET 328 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 34.83 33.48 3hqn s MET 328 CO 0.03 0.06 0.15 -0.51 0.00 0.00 0.00 175.02 174.75 3hqn s LEU 329 N 0.49 4.32 0.00 4.11 1.43 0.12 -4.36 118.68 124.79 3hqn s LEU 329 Ca -0.10 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3hqn s LEU 329 Cb -0.13 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3hqn s LEU 329 CO 0.02 0.35 0.00 -1.20 0.23 0.00 0.00 176.35 175.75 3hqn n SER 330 N 1.58 0.00 0.27 2.29 7.64 -1.26 -1.64 113.62 122.50 3hqn n SER 330 Ca -0.16 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.86 3hqn n SER 330 Cb 0.54 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.52 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 1.48 0.23 0.00 -1.97 -1.24 103.07 101.58 3hqn h GLY 331 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3hqn h GLY 331 CO 0.00 0.00 0.20 0.83 0.00 0.00 0.00 176.54 177.57 3hqn h GLU 332 N 0.00 0.08 0.00 4.80 3.07 -1.89 0.21 114.58 120.85 3hqn h GLU 332 Ca -0.00 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.69 3hqn h GLU 332 Cb 0.34 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 3hqn h GLU 332 CO 0.01 0.05 -1.78 0.25 -1.40 0.00 0.00 179.01 176.14 3hqn n THR 333 N -4.47 0.60 -0.02 1.13 -2.24 -0.99 -3.69 114.28 104.60 3hqn n THR 333 Ca 0.03 -0.46 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 3hqn n THR 333 Cb 0.30 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.79 0.24 0.00 6.98 0.00 -0.85 -3.39 119.26 123.03 3hqn h ALA 334 Ca -0.24 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3hqn h ALA 334 Cb 1.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hqn h ALA 334 CO 0.01 0.52 0.00 0.36 0.00 0.00 0.00 179.25 180.14 3hqn n LYS 335 N -4.10 0.26 -1.71 0.00 2.85 -0.09 -1.60 118.16 113.77 3hqn n LYS 335 Ca -0.08 -0.46 -0.29 0.00 -1.05 0.00 0.00 58.31 56.43 3hqn n LYS 335 Cb 0.67 -0.66 0.15 0.00 -0.65 0.00 0.00 35.03 34.53 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 -0.15 1.64 0.12 2.58 0.00 -0.29 -4.79 107.32 106.43 3hqn s GLY 336 Ca 0.00 -0.78 0.23 0.00 0.00 0.00 0.00 44.72 44.17 3hqn s GLY 336 CO 0.00 -0.16 1.15 1.17 0.00 0.00 0.00 173.10 175.26 3hqn n LYS 337 N -3.73 0.38 -2.69 2.90 4.81 0.14 -4.46 118.16 115.51 3hqn n LYS 337 Ca 0.10 0.07 -0.16 0.00 -0.87 0.00 0.00 58.31 57.44 3hqn n LYS 337 Cb 0.60 -1.70 0.01 0.00 0.02 0.00 0.00 35.03 33.96 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 -2.23 1.85 -0.28 5.64 4.01 -1.26 -4.95 117.16 119.95 3hqn n TYR 338 Ca 0.02 -3.09 -0.05 0.00 -0.16 0.00 0.00 57.90 54.63 3hqn n TYR 338 Cb 0.47 -0.31 0.06 0.00 -0.31 0.00 0.00 39.34 39.26 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 2.88 1.02 -0.28 -0.72 0.13 -1.78 0.17 132.00 133.42 3hqn h PRO 339 Ca 0.05 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.05 3hqn h PRO 339 Cb 1.04 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 3hqn h PRO 339 CO 0.62 0.70 -0.03 -0.91 -0.23 0.00 0.00 178.00 178.16 3hqn h ASN 340 N 1.04 0.51 -0.39 1.44 2.35 -1.91 -2.71 115.58 115.90 3hqn h ASN 340 Ca 0.28 -0.33 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 3hqn h ASN 340 Cb -0.07 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3hqn h ASN 340 CO -0.06 0.72 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.97 3hqn h GLU 341 N 0.29 0.86 -0.70 0.81 3.07 -1.85 -0.66 114.58 116.40 3hqn h GLU 341 Ca 0.08 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.57 3hqn h GLU 341 Cb 0.47 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 3hqn h GLU 341 CO 0.02 0.95 0.26 -0.24 -1.40 0.00 0.00 179.01 178.60 3hqn h VAL 342 N 0.77 1.25 -0.46 3.13 3.04 -0.95 -0.00 116.25 123.02 3hqn h VAL 342 Ca 0.12 -0.81 -0.14 0.00 -1.01 0.00 0.00 66.70 64.86 3hqn h VAL 342 Cb 0.67 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 3hqn h VAL 342 CO 0.05 0.32 -0.25 0.58 -1.01 0.00 0.00 177.57 177.26 3hqn h VAL 343 N 1.01 1.27 -0.73 1.51 2.07 -1.20 0.20 116.25 120.39 3hqn h VAL 343 Ca 0.23 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 3hqn h VAL 343 Cb 0.24 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3hqn h VAL 343 CO -0.02 0.49 0.23 1.56 0.02 0.00 0.00 177.57 179.85 3hqn h GLN 344 N 0.83 1.13 -0.37 1.57 4.20 -0.90 -0.93 115.11 120.64 3hqn h GLN 344 Ca 0.10 -0.24 -0.16 0.00 0.06 0.00 0.00 58.65 58.41 3hqn h GLN 344 Cb 0.83 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3hqn h GLN 344 CO 0.07 0.96 -0.41 -0.92 -0.67 0.00 0.00 178.83 177.86 3hqn h TYR 345 N 1.08 1.13 -0.81 2.96 3.20 -0.94 -1.78 116.97 121.81 3hqn h TYR 345 Ca 0.24 -0.35 0.02 0.00 3.14 0.00 0.00 58.73 61.77 3hqn h TYR 345 Cb 0.30 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3hqn h TYR 345 CO 0.02 1.18 0.53 1.98 -1.64 0.00 0.00 178.16 180.24 3hqn h MET 346 N 0.75 1.03 -0.56 1.82 4.05 -0.59 -1.46 114.93 119.97 3hqn h MET 346 Ca 0.05 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3hqn h MET 346 Cb 1.01 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 3hqn h MET 346 CO 0.10 0.68 0.21 0.00 0.23 0.00 0.00 176.91 178.13 3hqn h ALA 347 N 1.31 0.73 -0.46 0.39 0.00 -1.04 -1.68 119.26 118.51 3hqn h ALA 347 Ca 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hqn h ALA 347 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3hqn h ALA 347 CO -0.08 0.35 0.25 -0.09 0.00 0.00 0.00 179.25 179.68 3hqn h ARG 348 N 0.77 0.65 0.14 0.00 2.43 -0.80 -1.34 114.38 116.23 3hqn h ARG 348 Ca 0.18 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3hqn h ARG 348 Cb 0.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3hqn h ARG 348 CO -0.01 0.51 -0.07 0.82 -1.51 0.00 0.00 179.97 179.71 3hqn h ILE 349 N 0.61 0.89 -0.63 1.20 2.04 -1.13 -1.24 117.51 119.25 3hqn h ILE 349 Ca 0.16 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 66.05 3hqn h ILE 349 Cb 0.05 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 3hqn h ILE 349 CO -0.03 0.02 0.18 0.00 0.00 0.00 0.00 178.15 178.32 3hqn h LEU 351 N 0.32 0.81 -0.32 0.00 5.85 -1.19 -0.36 115.31 120.42 3hqn h LEU 351 Ca 0.33 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3hqn h LEU 351 Cb 0.48 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3hqn h LEU 351 CO -0.38 0.80 0.19 -0.08 -0.34 0.00 0.00 178.44 178.63 3hqn h GLU 352 N 0.78 0.38 -0.30 1.25 4.57 -1.00 -2.38 114.58 117.88 3hqn h GLU 352 Ca 0.18 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 3hqn h GLU 352 Cb 0.28 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3hqn h GLU 352 CO -0.01 0.25 0.08 0.00 -1.18 0.00 0.00 179.01 178.16 3hqn h ALA 353 N 1.13 0.40 -0.48 2.92 0.00 -1.00 -2.32 119.26 119.92 3hqn h ALA 353 Ca 0.12 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hqn h ALA 353 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3hqn h ALA 353 CO -0.05 0.05 0.32 0.37 0.00 0.00 0.00 179.25 179.94 3hqn h GLN 354 N 0.33 0.50 0.00 0.00 4.15 -0.99 -0.67 115.11 118.44 3hqn h GLN 354 Ca 0.10 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3hqn h GLN 354 Cb 0.27 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3hqn h GLN 354 CO -0.00 0.33 0.00 0.66 -1.93 0.00 0.00 178.83 177.89 3hqn h SER 355 N 0.52 0.00 0.33 -0.69 4.64 -0.87 -2.45 113.55 115.03 3hqn h SER 355 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3hqn h SER 355 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hqn h SER 355 CO -0.05 0.00 -1.58 0.00 -0.87 0.00 0.00 176.83 174.34 3hqn n ALA 356 N -1.99 2.87 -2.36 5.18 0.00 -0.34 -4.97 120.51 118.90 3hqn n ALA 356 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 3hqn n ALA 356 Cb 0.28 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -4.64 4.37 -0.61 0.00 0.20 -0.70 -4.85 118.68 112.45 3hqn s LEU 357 Ca -0.04 2.09 -0.25 0.00 0.69 0.00 0.00 54.13 56.62 3hqn s LEU 357 Cb 0.13 -3.58 0.04 0.00 -0.43 0.00 0.00 46.19 42.35 3hqn s LEU 357 CO 0.86 -0.52 1.05 0.21 -0.29 0.00 0.00 176.35 177.66 3hqn s ASN 358 N 1.10 6.30 0.32 3.68 3.84 -1.26 -4.89 114.94 124.03 3hqn s ASN 358 Ca 0.60 -0.40 0.07 0.00 0.21 0.00 0.00 52.86 53.34 3hqn s ASN 358 Cb -0.31 -2.47 0.56 0.00 -0.55 0.00 0.00 41.25 38.47 3hqn s ASN 358 CO 0.29 -1.41 1.78 -0.33 -2.79 0.00 0.00 177.10 174.64 3hqn h GLU 359 N 9.52 0.28 -0.84 0.43 4.39 -1.93 -2.82 114.58 123.61 3hqn h GLU 359 Ca -0.27 -0.10 0.12 0.00 0.34 0.00 0.00 59.36 59.45 3hqn h GLU 359 Cb 1.07 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.64 3hqn h GLU 359 CO 1.15 0.55 0.54 -0.92 -1.16 0.00 0.00 179.01 179.18 3hqn h TYR 360 N 0.25 0.79 -0.63 4.33 3.20 -1.90 -1.31 116.97 121.70 3hqn h TYR 360 Ca 0.04 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3hqn h TYR 360 Cb 0.64 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3hqn h TYR 360 CO 0.01 0.34 0.40 0.28 -1.64 0.00 0.00 178.16 177.54 3hqn h VAL 361 N 0.71 1.11 -0.24 1.81 2.07 -1.89 0.37 116.25 120.18 3hqn h VAL 361 Ca 0.40 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 3hqn h VAL 361 Cb 0.57 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hqn h VAL 361 CO -0.17 0.14 -0.01 -0.26 0.02 0.00 0.00 177.57 177.30 3hqn h PHE 362 N 0.79 0.48 -0.19 1.57 -1.00 -1.40 -0.73 116.94 116.46 3hqn h PHE 362 Ca 0.24 -0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.97 3hqn h PHE 362 Cb -0.03 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.38 3hqn h PHE 362 CO -0.04 0.62 -0.04 0.35 -1.61 0.00 0.00 178.31 177.58 3hqn h PHE 363 N 0.20 -0.10 -0.46 -0.55 3.57 -0.87 -1.07 116.94 117.67 3hqn h PHE 363 Ca 0.07 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 3hqn h PHE 363 Cb 0.43 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3hqn h PHE 363 CO 0.04 -0.08 -0.21 -0.97 -2.23 0.00 0.00 178.31 174.86 3hqn h ASN 364 N 0.00 0.98 -0.43 0.41 -0.00 -0.25 -1.04 115.58 115.25 3hqn h ASN 364 Ca 0.09 -0.40 0.04 0.00 -0.00 0.00 0.00 56.30 56.03 3hqn h ASN 364 Cb 0.14 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 38.15 3hqn h ASN 364 CO -0.19 1.16 0.21 0.28 -0.00 0.00 0.00 177.43 178.88 3hqn h SER 365 N 0.79 0.30 -0.30 1.15 0.02 -0.95 -1.27 113.55 113.28 3hqn h SER 365 Ca 0.10 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 3hqn h SER 365 Cb 0.79 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 3hqn h SER 365 CO 0.07 0.21 -0.44 0.40 -1.14 0.00 0.00 176.83 175.93 3hqn h ILE 366 N 0.42 1.28 -0.76 3.27 2.04 -1.16 -3.12 117.51 119.48 3hqn h ILE 366 Ca 0.19 -1.62 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 3hqn h ILE 366 Cb 0.10 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3hqn h ILE 366 CO -0.14 0.53 0.27 0.50 0.00 0.00 0.00 178.15 179.32 3hqn h LYS 367 N 0.69 1.16 0.00 2.37 3.64 -1.00 -2.41 116.57 121.01 3hqn h LYS 367 Ca 0.04 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3hqn h LYS 367 Cb 1.03 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hqn h LYS 367 CO 0.10 0.96 0.00 0.87 -2.27 0.00 0.00 179.45 179.11 3hqn h LYS 368 N 1.12 0.00 -0.00 1.90 1.57 -1.20 -2.30 116.57 117.67 3hqn h LYS 368 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3hqn h LYS 368 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3hqn h LYS 368 CO -0.01 0.00 -0.20 1.28 -0.57 0.00 0.00 179.45 179.94 3hqn n LEU 369 N -2.79 0.44 -4.71 2.94 4.77 -0.91 -4.89 117.00 111.85 3hqn n LEU 369 Ca 0.01 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 3hqn n LEU 369 Cb 0.25 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3hqn n LEU 369 CO 0.24 0.09 0.99 -1.10 -1.33 0.00 0.00 177.39 176.27 3hqn s GLN 370 N -2.72 4.36 0.33 3.23 -1.52 -0.87 -5.01 119.66 117.46 3hqn s GLN 370 Ca 0.21 1.89 -0.26 0.00 -1.95 0.00 0.00 55.36 55.25 3hqn s GLN 370 Cb 0.19 -3.38 -0.10 0.00 -0.22 0.00 0.00 33.01 29.50 3hqn s GLN 370 CO 0.55 -0.39 0.95 -1.58 -0.25 0.00 0.00 175.29 174.57 3hqn s HIS 371 N 1.45 3.65 -0.16 0.91 2.46 -1.26 -5.01 115.29 117.33 3hqn s HIS 371 Ca 0.61 1.77 -0.08 0.00 0.47 0.00 0.00 55.06 57.82 3hqn s HIS 371 Cb -0.31 -2.93 -0.04 0.00 -0.13 0.00 0.00 32.58 29.16 3hqn s HIS 371 CO 0.28 0.14 0.12 0.42 -2.47 0.00 0.00 174.74 173.24 3hqn s ILE 372 N -1.65 5.35 0.41 0.89 -1.09 -1.26 -3.42 121.20 120.43 3hqn s ILE 372 Ca 0.51 0.16 -0.23 0.00 -2.23 0.00 0.00 60.65 58.87 3hqn s ILE 372 Cb -0.18 -3.39 -0.10 0.00 -1.58 0.00 0.00 42.46 37.21 3hqn s ILE 372 CO 0.23 0.52 0.99 -2.16 -1.23 0.00 0.00 174.94 173.29 3hqn s PRO 373 N -0.28 4.23 0.48 2.79 0.04 -1.26 -5.17 135.00 135.84 3hqn s PRO 373 Ca 0.11 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 3hqn s PRO 373 Cb -0.12 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 3hqn s PRO 373 CO 0.01 -0.05 0.87 -1.64 0.04 0.00 0.00 177.00 176.23 3hqn s MET 374 N -2.76 3.73 0.65 4.56 -1.94 -1.22 -5.07 119.30 117.26 3hqn s MET 374 Ca 0.59 0.57 -0.11 0.00 -1.71 0.00 0.00 55.69 55.03 3hqn s MET 374 Cb -0.16 -2.28 -0.02 0.00 2.01 0.00 0.00 34.83 34.39 3hqn s MET 374 CO 0.20 -0.22 1.06 -1.54 -0.01 0.00 0.00 175.02 174.51 3hqn s SER 375 N -3.51 5.93 0.24 3.03 1.04 -1.26 -4.84 113.70 114.33 3hqn s SER 375 Ca 0.53 1.31 -0.06 0.00 0.48 0.00 0.00 55.95 58.21 3hqn s SER 375 Cb -0.10 -2.27 0.31 0.00 0.10 0.00 0.00 66.02 64.06 3hqn s SER 375 CO 0.38 -1.05 1.87 0.00 0.98 0.00 0.00 173.24 175.42 3hqn h ALA 376 N -0.45 1.19 -0.51 5.32 0.00 -1.98 -2.21 119.26 120.62 3hqn h ALA 376 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3hqn h ALA 376 Cb 1.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hqn h ALA 376 CO 0.63 0.36 0.28 0.38 0.00 0.00 0.00 179.25 180.90 3hqn h ASP 377 N 1.06 0.64 -0.73 0.00 -0.00 -1.94 -0.32 116.42 115.12 3hqn h ASP 377 Ca 0.37 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.03 57.30 3hqn h ASP 377 Cb 0.08 -0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.22 3hqn h ASP 377 CO -0.14 0.54 0.42 -0.08 -0.00 0.00 0.00 179.24 179.97 3hqn h GLU 378 N 0.68 1.00 -0.35 4.15 4.57 -1.90 -1.32 114.58 121.41 3hqn h GLU 378 Ca 0.18 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3hqn h GLU 378 Cb 0.04 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3hqn h GLU 378 CO -0.03 0.73 -0.05 0.00 -1.18 0.00 0.00 179.01 178.48 3hqn h ALA 379 N 1.21 0.47 -0.08 2.92 0.00 -1.00 -1.00 119.26 121.78 3hqn h ALA 379 Ca 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hqn h ALA 379 Cb 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hqn h ALA 379 CO -0.04 0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.78 3hqn h VAL 380 N 0.44 1.24 -0.19 0.00 2.07 -0.93 -1.74 116.25 117.14 3hqn h VAL 380 Ca 0.09 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3hqn h VAL 380 Cb 0.54 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3hqn h VAL 380 CO 0.03 0.21 0.01 0.00 0.02 0.00 0.00 177.57 177.84 3hqn h SER 382 N 0.10 0.87 0.37 0.00 4.64 -1.24 -1.50 113.55 116.79 3hqn h SER 382 Ca 0.06 -0.18 -0.19 0.00 -0.47 0.00 0.00 61.79 61.01 3hqn h SER 382 Cb 0.36 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3hqn h SER 382 CO 0.01 0.86 -0.77 0.77 -0.87 0.00 0.00 176.83 176.82 3hqn h SER 383 N 0.88 0.39 -0.67 4.97 4.64 -1.22 0.10 113.55 122.64 3hqn h SER 383 Ca 0.18 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3hqn h SER 383 Cb 0.35 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 3hqn h SER 383 CO 0.00 1.02 0.36 0.00 -0.87 0.00 0.00 176.83 177.35 3hqn h ALA 384 N 0.96 0.89 -0.59 5.18 0.00 -0.36 0.75 119.26 126.11 3hqn h ALA 384 Ca -0.04 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hqn h ALA 384 Cb 1.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3hqn h ALA 384 CO 0.13 0.03 0.04 0.28 0.00 0.00 0.00 179.25 179.73 3hqn h VAL 385 N 0.66 1.26 -0.75 0.00 2.07 -1.06 -2.44 116.25 115.99 3hqn h VAL 385 Ca 0.30 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.81 3hqn h VAL 385 Cb 0.21 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3hqn h VAL 385 CO -0.19 0.39 0.43 -1.13 0.02 0.00 0.00 177.57 177.09 3hqn h ASN 386 N 0.91 0.64 -0.26 0.57 -0.73 -0.33 -1.38 115.58 115.00 3hqn h ASN 386 Ca 0.17 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 3hqn h ASN 386 Cb 0.50 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 3hqn h ASN 386 CO 0.02 0.40 0.12 0.28 -0.37 0.00 0.00 177.43 177.88 3hqn h SER 387 N 0.77 0.38 -0.09 1.15 0.02 -0.66 0.65 113.55 115.78 3hqn h SER 387 Ca 0.34 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3hqn h SER 387 Cb 0.23 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3hqn h SER 387 CO -0.20 0.36 -0.06 0.58 -1.14 0.00 0.00 176.83 176.37 3hqn h VAL 388 N 0.43 0.82 -0.21 2.27 2.07 -0.78 -0.27 116.25 120.59 3hqn h VAL 388 Ca 0.11 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.47 3hqn h VAL 388 Cb 0.09 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3hqn h VAL 388 CO -0.01 0.00 -0.51 1.88 0.02 0.00 0.00 177.57 178.95 3hqn h TYR 389 N -0.06 0.71 -0.22 1.57 0.05 -1.05 0.15 116.97 118.12 3hqn h TYR 389 Ca 0.06 -0.24 -0.10 0.00 0.05 0.00 0.00 58.73 58.49 3hqn h TYR 389 Cb 0.14 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3hqn h TYR 389 CO -0.17 0.96 -0.31 0.93 -1.05 0.00 0.00 178.16 178.52 3hqn h GLU 390 N 0.45 0.45 -0.02 4.88 5.08 -0.78 -3.21 114.58 121.43 3hqn h GLU 390 Ca 0.02 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3hqn h GLU 390 Cb 1.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3hqn h GLU 390 CO 0.10 0.71 -0.14 0.25 -1.00 0.00 0.00 179.01 178.93 3hqn n THR 391 N -4.09 0.00 -3.80 1.13 -2.24 -0.12 -4.98 114.28 100.18 3hqn n THR 391 Ca -0.01 -0.43 -0.26 0.00 -2.27 0.00 0.00 64.05 61.09 3hqn n THR 391 Cb 0.44 1.34 0.03 0.00 -2.10 0.00 0.00 70.33 70.04 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 0.68 -5.24 -1.71 -0.78 5.02 0.43 -4.90 118.16 111.66 3hqn n LYS 392 Ca 0.10 0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 56.66 3hqn n LYS 392 Cb 0.45 -5.32 0.06 0.00 -0.02 0.00 0.00 35.03 30.20 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 -3.50 2.38 -1.45 7.82 0.00 -0.60 -4.73 121.76 121.67 3hqn s ALA 393 Ca 0.32 0.70 0.14 0.00 0.00 0.00 0.00 51.96 53.12 3hqn s ALA 393 Cb -0.16 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3hqn s ALA 393 CO 0.82 -1.42 0.83 1.63 0.00 0.00 0.00 175.76 177.63 3hqn n LYS 394 N -2.37 1.48 -3.60 0.00 5.02 -0.17 -4.84 118.16 113.67 3hqn n LYS 394 Ca 0.12 -0.98 -0.10 0.00 -2.02 0.00 0.00 58.31 55.32 3hqn n LYS 394 Cb 0.51 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.45 -1.33 0.06 7.82 0.00 -1.25 -4.30 121.76 121.32 3hqn s ALA 395 Ca 0.13 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.30 3hqn s ALA 395 Cb 0.11 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 3hqn s ALA 395 CO 0.27 -0.83 -0.25 -1.64 0.00 0.00 0.00 175.76 173.30 3hqn s MET 396 N -3.82 1.78 -0.13 0.00 -1.94 -0.06 -1.63 119.30 113.50 3hqn s MET 396 Ca 0.05 -1.13 0.03 0.00 -1.71 0.00 0.00 55.69 52.93 3hqn s MET 396 Cb -0.02 -2.00 0.01 0.00 2.01 0.00 0.00 34.83 34.83 3hqn s MET 396 CO -0.06 0.51 -0.22 0.08 -0.01 0.00 0.00 175.02 175.32 3hqn s VAL 397 N -0.86 2.13 -0.19 -6.03 1.01 0.53 -0.47 120.40 116.51 3hqn s VAL 397 Ca 0.13 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3hqn s VAL 397 Cb -0.10 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.48 3hqn s VAL 397 CO 0.03 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.86 3hqn s VAL 398 N 0.64 1.78 -0.27 2.92 1.01 0.04 -1.11 120.40 125.42 3hqn s VAL 398 Ca -0.11 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 3hqn s VAL 398 Cb -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3hqn s VAL 398 CO 0.02 0.28 0.90 -0.76 0.00 0.00 0.00 175.10 175.54 3hqn s LEU 399 N 1.35 4.06 -0.11 3.92 1.02 -0.32 -1.08 118.68 127.53 3hqn s LEU 399 Ca 0.00 0.98 -0.05 0.00 0.02 0.00 0.00 54.13 55.09 3hqn s LEU 399 Cb -0.15 -3.28 0.05 0.00 0.02 0.00 0.00 46.19 42.84 3hqn s LEU 399 CO -0.09 -0.64 0.24 -0.55 0.02 0.00 0.00 176.35 175.34 3hqn s SER 400 N 1.46 0.10 -0.05 2.29 0.15 -0.57 -4.37 113.70 112.71 3hqn s SER 400 Ca 0.37 0.54 -0.12 0.00 0.70 0.00 0.00 55.95 57.44 3hqn s SER 400 Cb -0.14 0.53 -0.31 0.00 -1.71 0.00 0.00 66.02 64.39 3hqn s SER 400 CO 0.10 -0.21 0.66 0.78 1.20 0.00 0.00 173.24 175.78 3hqn h ASN 401 N 7.79 0.61 0.48 5.45 2.35 -1.95 -3.36 115.58 126.96 3hqn h ASN 401 Ca -0.26 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.55 3hqn h ASN 401 Cb 1.13 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3hqn h ASN 401 CO 0.25 1.78 -0.55 0.35 -1.65 0.00 0.00 177.43 177.61 3hqn n THR 402 N -3.63 0.02 -0.39 2.81 -2.24 -1.26 -4.48 114.28 105.11 3hqn n THR 402 Ca -0.25 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3hqn n THR 402 Cb 1.06 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.49 1.33 0.22 3.38 0.00 -1.26 -4.88 105.19 105.46 3hqn n GLY 403 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 3.24 -0.28 0.00 1.61 2.43 -1.92 0.43 114.38 119.88 3hqn h ARG 404 Ca 0.00 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3hqn h ARG 404 Cb 0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3hqn h ARG 404 CO 0.00 -0.19 -0.43 0.66 -1.51 0.00 0.00 179.97 178.50 3hqn h SER 405 N -0.30 0.00 -0.71 -3.80 4.64 -1.93 -0.86 113.55 110.61 3hqn h SER 405 Ca 0.05 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 3hqn h SER 405 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3hqn h SER 405 CO -0.15 0.43 0.18 0.00 -0.87 0.00 0.00 176.83 176.41 3hqn h ALA 406 N 1.57 0.93 -0.13 5.18 0.00 -1.78 -0.30 119.26 124.72 3hqn h ALA 406 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3hqn h ALA 406 Cb 0.88 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hqn h ALA 406 CO 0.06 0.65 -0.40 0.00 0.00 0.00 0.00 179.25 179.56 3hqn h ARG 407 N 1.07 0.30 -0.54 0.00 3.08 -0.46 -1.11 114.38 116.71 3hqn h ARG 407 Ca 0.22 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3hqn h ARG 407 Cb 0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3hqn h ARG 407 CO 0.00 0.66 -0.08 1.25 -1.07 0.00 0.00 179.97 180.73 3hqn h LEU 408 N 0.25 1.02 -0.46 3.04 5.85 -0.66 -0.51 115.31 123.84 3hqn h LEU 408 Ca 0.02 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3hqn h LEU 408 Cb 0.82 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3hqn h LEU 408 CO 0.07 1.12 0.13 0.58 -0.34 0.00 0.00 178.44 179.99 3hqn h VAL 409 N 0.89 1.23 -0.32 1.05 2.07 -1.01 -3.22 116.25 116.95 3hqn h VAL 409 Ca 0.14 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3hqn h VAL 409 Cb 0.65 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3hqn h VAL 409 CO 0.04 0.28 0.07 0.00 0.02 0.00 0.00 177.57 177.98 3hqn h ALA 410 N 0.99 1.52 -0.99 1.67 0.00 -0.92 -1.49 119.26 120.03 3hqn h ALA 410 Ca 0.15 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.08 3hqn h ALA 410 Cb 0.30 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3hqn h ALA 410 CO -0.00 0.36 0.62 -0.22 0.00 0.00 0.00 179.25 180.00 3hqn h LYS 411 N 0.46 0.79 -0.00 0.00 3.64 -1.10 -1.23 116.57 119.13 3hqn h LYS 411 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hqn h LYS 411 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3hqn h LYS 411 CO -0.00 0.53 -0.03 0.66 -2.27 0.00 0.00 179.45 178.33 3hqn n TYR 412 N -4.68 0.00 -3.22 1.91 4.01 -0.56 -4.87 117.16 109.75 3hqn n TYR 412 Ca 0.21 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.85 3hqn n TYR 412 Cb 0.50 -0.18 0.04 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.07 -1.77 -1.03 -0.72 5.12 -0.47 -3.93 116.66 112.79 3hqn n ARG 413 Ca 0.17 1.10 -0.30 0.00 -1.93 0.00 0.00 57.85 56.89 3hqn n ARG 413 Cb 0.22 -5.59 0.14 0.00 -1.16 0.00 0.00 32.46 26.07 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 -3.94 1.34 -0.60 5.56 0.04 -1.26 -4.53 135.00 131.60 3hqn s PRO 414 Ca 0.26 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 3hqn s PRO 414 Cb -0.04 -1.79 0.50 0.00 0.04 0.00 0.00 34.50 33.21 3hqn s PRO 414 CO 0.76 -2.28 2.00 0.27 0.04 0.00 0.00 177.00 177.79 3hqn n ASN 415 N -3.95 6.61 -4.02 6.66 6.94 -1.26 -4.90 115.26 121.34 3hqn n ASN 415 Ca 0.09 -3.73 -0.10 0.00 -0.02 0.00 0.00 54.58 50.83 3hqn n ASN 415 Cb 0.53 -0.94 -0.08 0.00 -2.36 0.00 0.00 39.78 36.93 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 -3.99 3.56 -0.15 0.00 0.02 -1.26 -4.82 135.00 128.36 3hqn s PRO 417 Ca 0.19 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 3hqn s PRO 417 Cb 0.05 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 3hqn s PRO 417 CO 0.00 -0.88 -0.03 0.42 -0.33 0.00 0.00 177.00 176.18 3hqn s ILE 418 N -1.25 4.00 -0.25 2.83 1.01 -0.60 -0.88 121.20 126.05 3hqn s ILE 418 Ca 0.64 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 3hqn s ILE 418 Cb -0.42 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.30 3hqn s ILE 418 CO 0.52 0.50 0.01 -0.69 0.00 0.00 0.00 174.94 175.28 3hqn s VAL 419 N 0.26 3.58 -0.22 2.92 1.01 0.38 -0.90 120.40 127.43 3hqn s VAL 419 Ca -0.02 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3hqn s VAL 419 Cb -0.14 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3hqn s VAL 419 CO 0.03 0.25 0.17 0.00 0.00 0.00 0.00 175.10 175.55 3hqn s VAL 421 N 0.84 4.49 0.03 0.00 1.01 -0.24 0.06 120.40 126.59 3hqn s VAL 421 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 3hqn s VAL 421 Cb -0.13 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3hqn s VAL 421 CO 0.03 0.38 -0.03 0.28 0.00 0.00 0.00 175.10 175.75 3hqn s THR 422 N 1.18 0.15 -2.36 3.92 -1.32 -0.67 -1.51 115.64 115.02 3hqn s THR 422 Ca 0.04 -1.23 0.22 0.00 -1.21 0.00 0.00 61.69 59.52 3hqn s THR 422 Cb -0.14 -0.71 0.45 0.00 -1.51 0.00 0.00 72.50 70.59 3hqn s THR 422 CO 0.03 -0.67 1.44 0.35 -2.21 0.00 0.00 174.62 173.56 3hqn n THR 423 N 1.07 0.50 -4.42 5.08 -2.24 -1.26 -0.59 114.28 112.42 3hqn n THR 423 Ca -0.20 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.58 3hqn n THR 423 Cb 0.57 0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.50 2.96 0.41 -0.78 0.52 -1.26 -4.74 118.95 114.55 3hqn s ARG 424 Ca 0.38 -0.83 0.10 0.00 -0.52 0.00 0.00 55.73 54.86 3hqn s ARG 424 Cb 0.21 -2.46 0.85 0.00 0.52 0.00 0.00 34.95 34.08 3hqn s ARG 424 CO 0.30 -0.10 1.97 -0.07 0.02 0.00 0.00 175.30 177.42 3hqn h LEU 425 N 7.60 0.25 -1.41 2.53 3.38 -1.95 -1.97 115.31 123.73 3hqn h LEU 425 Ca -0.38 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 3hqn h LEU 425 Cb 1.17 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3hqn h LEU 425 CO 0.59 0.33 -0.17 -0.61 0.09 0.00 0.00 178.44 178.66 3hqn h GLN 426 N 0.27 0.17 -0.08 1.13 4.15 -1.97 -1.56 115.11 117.23 3hqn h GLN 426 Ca 0.06 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 3hqn h GLN 426 Cb 0.24 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 3hqn h GLN 426 CO 0.01 0.35 -0.02 1.15 -1.93 0.00 0.00 178.83 178.39 3hqn h THR 427 N 0.16 1.29 -0.70 2.39 2.02 -1.67 0.32 112.91 116.71 3hqn h THR 427 Ca 0.03 -0.91 0.15 0.00 0.77 0.00 0.00 66.41 66.45 3hqn h THR 427 Cb 0.41 1.74 -0.10 0.00 -1.74 0.00 0.00 68.15 68.45 3hqn h THR 427 CO 0.03 0.25 0.17 0.00 0.37 0.00 0.00 175.52 176.34 3hqn h ARG 429 N 0.27 0.34 0.00 0.00 3.08 -1.12 -3.22 114.38 113.73 3hqn h ARG 429 Ca 0.39 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3hqn h ARG 429 Cb 0.64 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3hqn h ARG 429 CO -0.48 0.73 -0.23 1.96 -1.07 0.00 0.00 179.97 180.88 3hqn h GLN 430 N -0.03 0.00 0.00 0.04 4.20 0.10 -2.28 115.11 117.14 3hqn h GLN 430 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hqn h GLN 430 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3hqn h GLN 430 CO 0.03 0.23 0.00 1.28 -0.67 0.00 0.00 178.83 179.70 3hqn n LEU 431 N -3.76 0.00 0.04 1.46 4.77 -0.61 -2.78 117.00 116.13 3hqn n LEU 431 Ca -0.01 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 3hqn n LEU 431 Cb 0.33 -0.44 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 3hqn n LEU 431 CO 0.34 -0.17 0.58 0.59 -1.33 0.00 0.00 177.39 177.40 3hqn n ASN 432 N -1.44 0.14 -1.15 -1.43 3.02 -0.86 -1.51 115.26 112.03 3hqn n ASN 432 Ca 0.05 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.27 3hqn n ASN 432 Cb 0.19 -0.58 0.27 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.69 1.13 -4.10 2.41 -5.35 -1.12 -4.78 119.36 105.86 3hqn n ILE 433 Ca -0.00 -1.05 -0.35 0.00 -0.27 0.00 0.00 62.75 61.08 3hqn n ILE 433 Cb 0.01 0.44 -0.12 0.00 -1.74 0.00 0.00 39.64 38.23 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 -1.14 4.14 0.45 7.28 2.01 -0.57 -4.68 115.64 123.12 3hqn s THR 434 Ca 0.41 -0.26 -0.24 0.00 0.31 0.00 0.00 61.69 61.92 3hqn s THR 434 Cb 0.23 -2.86 -0.07 0.00 0.01 0.00 0.00 72.50 69.80 3hqn s THR 434 CO 0.26 0.44 1.25 0.00 -0.69 0.00 0.00 174.62 175.88 3hqn s GLN 435 N 0.81 3.76 0.00 4.92 1.03 -1.26 -3.63 119.66 125.28 3hqn s GLN 435 Ca 0.01 2.00 0.00 0.00 0.04 0.00 0.00 55.36 57.41 3hqn s GLN 435 Cb -0.14 -2.54 0.00 0.00 0.03 0.00 0.00 33.01 30.36 3hqn s GLN 435 CO 0.02 -0.61 0.00 0.41 -2.54 0.00 0.00 175.29 172.57 3hqn n GLY 436 N 0.60 0.94 3.54 2.60 0.00 0.57 -4.92 105.19 108.52 3hqn n GLY 436 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.32 3.35 -0.02 1.61 1.01 -1.24 -1.56 120.40 120.24 3hqn s VAL 437 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3hqn s VAL 437 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3hqn s VAL 437 CO 0.00 0.45 -0.17 -1.61 0.00 0.00 0.00 175.10 173.77 3hqn s GLU 438 N -1.21 1.43 -0.01 2.72 2.02 -0.08 -4.93 118.70 118.64 3hqn s GLU 438 Ca 0.15 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.54 3hqn s GLU 438 Cb -0.11 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 3hqn s GLU 438 CO 0.05 0.34 0.01 -1.12 0.02 0.00 0.00 175.26 174.56 3hqn s SER 439 N -0.32 5.19 -0.15 -0.19 0.01 -1.26 -0.48 113.70 116.49 3hqn s SER 439 Ca 0.05 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.34 3hqn s SER 439 Cb -0.07 -1.38 0.02 0.00 0.21 0.00 0.00 66.02 64.80 3hqn s SER 439 CO -0.00 0.29 -0.17 -0.69 0.41 0.00 0.00 173.24 173.07 3hqn s VAL 440 N -1.08 1.80 -0.09 3.43 1.01 0.11 -4.92 120.40 120.65 3hqn s VAL 440 Ca 0.19 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 3hqn s VAL 440 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3hqn s VAL 440 CO 0.10 0.50 0.93 0.12 0.00 0.00 0.00 175.10 176.75 3hqn s PHE 441 N 1.25 3.53 -0.33 5.22 5.36 -1.26 -1.68 117.98 130.08 3hqn s PHE 441 Ca 0.02 1.51 -0.06 0.00 -0.96 0.00 0.00 56.93 57.44 3hqn s PHE 441 Cb -0.14 -3.10 0.04 0.00 -0.34 0.00 0.00 43.02 39.49 3hqn s PHE 441 CO -0.09 -0.15 0.08 0.12 -1.46 0.00 0.00 175.22 173.72 3hqn s PHE 442 N 1.71 3.25 -0.96 10.12 5.36 0.25 -4.92 117.98 132.77 3hqn s PHE 442 Ca 0.46 -1.46 -0.24 0.00 -0.96 0.00 0.00 56.93 54.73 3hqn s PHE 442 Cb -0.18 -2.24 0.03 0.00 -0.34 0.00 0.00 43.02 40.29 3hqn s PHE 442 CO 0.19 -0.73 1.51 0.34 -1.46 0.00 0.00 175.22 175.06 3hqn s ASP 443 N 1.38 6.25 0.50 6.13 -1.08 -1.26 -4.26 116.67 124.33 3hqn s ASP 443 Ca -0.02 -1.19 0.24 0.00 -0.52 0.00 0.00 52.55 51.06 3hqn s ASP 443 Cb -0.19 -2.57 1.32 0.00 -1.46 0.00 0.00 42.92 40.02 3hqn s ASP 443 CO 0.02 -1.73 2.04 0.00 0.52 0.00 0.00 175.17 176.02 3hqn h ALA 444 N 10.14 1.35 0.37 3.66 0.00 -1.85 -1.12 119.26 131.81 3hqn h ALA 444 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hqn h ALA 444 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3hqn h ALA 444 CO 1.38 0.18 -0.18 -0.44 0.00 0.00 0.00 179.25 180.19 3hqn h ASP 445 N 0.00 -0.42 0.41 0.00 3.32 -1.89 -1.00 116.42 116.84 3hqn h ASP 445 Ca -0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hqn h ASP 445 Cb 0.36 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3hqn h ASP 445 CO 0.02 0.01 0.00 1.17 -1.72 0.00 0.00 179.24 178.72 3hqn n LYS 446 N -5.13 0.01 0.00 3.56 3.00 -0.91 -3.84 118.16 114.85 3hqn n LYS 446 Ca -0.09 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 3hqn n LYS 446 Cb 0.27 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.77 3hqn n LYS 446 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3hqn n LEU 447 N -1.55 0.00 0.00 3.14 4.77 -0.47 -5.07 117.00 117.82 3hqn n LEU 447 Ca 0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3hqn n LEU 447 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3hqn n LEU 447 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3hqn n GLY 448 N 0.02 1.52 0.05 -0.72 0.00 -0.38 -4.75 105.19 100.94 3hqn n GLY 448 Ca 0.00 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 1.77 0.39 -4.21 1.61 -0.00 -1.26 -4.45 115.22 109.07 3hqn n HIS 449 Ca 0.00 0.13 -0.34 0.00 -0.00 0.00 0.00 57.72 57.50 3hqn n HIS 449 Cb 0.00 -0.70 -0.06 0.00 -0.00 0.00 0.00 29.99 29.22 3hqn n HIS 449 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3hqn n ASP 450 N -1.83 -0.48 0.00 0.41 2.03 -1.26 -4.81 116.55 110.61 3hqn n ASP 450 Ca 0.05 -1.25 0.08 0.00 0.52 0.00 0.00 54.79 54.19 3hqn n ASP 450 Cb 0.32 -1.79 0.39 0.00 -0.72 0.00 0.00 41.12 39.32 3hqn n ASP 450 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hqn n GLU 451 N -4.68 0.05 0.13 -0.67 0.00 -1.26 -1.29 120.64 112.92 3hqn n GLU 451 Ca -0.27 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.20 3hqn n GLU 451 Cb 0.66 -1.50 0.38 0.00 0.00 0.00 0.00 31.44 30.98 3hqn n GLU 451 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3hqn h GLY 452 N 2.99 0.00 0.00 -1.84 0.00 -2.03 -3.48 103.07 98.71 3hqn h GLY 452 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hqn h GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3hqn n LYS 453 N -2.40 0.00 -0.30 4.80 4.01 -0.41 -4.90 118.16 118.96 3hqn n LYS 453 Ca 0.05 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.81 3hqn n LYS 453 Cb 0.43 -2.01 0.07 0.00 -0.51 0.00 0.00 35.03 33.01 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 1.99 1.09 -0.41 1.97 3.07 -1.93 -1.21 114.58 119.15 3hqn h GLU 454 Ca 0.00 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.66 3hqn h GLU 454 Cb 0.00 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 3hqn h GLU 454 CO 0.00 0.74 -0.21 0.45 -1.40 0.00 0.00 179.01 178.59 3hqn h HIS 455 N 1.11 0.91 -0.35 4.33 3.86 -1.90 -0.91 115.15 122.20 3hqn h HIS 455 Ca 0.29 -0.21 -0.14 0.00 -1.16 0.00 0.00 60.37 59.16 3hqn h HIS 455 Cb -0.09 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3hqn h HIS 455 CO -0.01 0.94 -0.31 0.00 0.86 0.00 0.00 177.93 179.41 3hqn h ARG 456 N 0.71 0.83 0.22 2.45 3.08 -1.81 0.35 114.38 120.22 3hqn h ARG 456 Ca 0.10 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 3hqn h ARG 456 Cb 0.73 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3hqn h ARG 456 CO 0.06 1.06 -0.14 0.28 -1.07 0.00 0.00 179.97 180.16 3hqn h VAL 457 N 0.63 0.70 -0.75 2.04 2.07 -1.11 -1.33 116.25 118.51 3hqn h VAL 457 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 3hqn h VAL 457 Cb 0.89 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 3hqn h VAL 457 CO 0.08 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.08 3hqn h ALA 458 N 0.42 1.04 -0.61 1.67 0.00 -1.02 -0.66 119.26 120.09 3hqn h ALA 458 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hqn h ALA 458 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hqn h ALA 458 CO 0.02 0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.63 3hqn h ALA 459 N 1.42 1.42 -0.20 0.00 0.00 -0.51 0.37 119.26 121.77 3hqn h ALA 459 Ca 0.36 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 3hqn h ALA 459 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hqn h ALA 459 CO -0.24 0.47 -0.64 0.78 0.00 0.00 0.00 179.25 179.61 3hqn h GLY 460 N 0.92 0.80 1.26 0.00 0.00 -0.31 -1.45 103.07 104.29 3hqn h GLY 460 Ca 0.22 -1.02 -0.19 0.00 0.00 0.00 0.00 47.33 46.34 3hqn h GLY 460 CO -0.03 0.91 -0.61 -2.08 0.00 0.00 0.00 176.54 174.73 3hqn h VAL 461 N 0.54 1.29 -0.91 4.60 2.07 -0.88 -1.59 116.25 121.36 3hqn h VAL 461 Ca -0.01 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 3hqn h VAL 461 Cb 1.24 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 3hqn h VAL 461 CO 0.13 0.58 0.54 -0.08 0.02 0.00 0.00 177.57 178.76 3hqn h GLU 462 N 0.57 1.24 -0.22 1.57 4.57 -0.26 0.04 114.58 122.09 3hqn h GLU 462 Ca -0.00 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3hqn h GLU 462 Cb 1.21 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 3hqn h GLU 462 CO 0.13 0.88 0.10 0.35 -1.18 0.00 0.00 179.01 179.29 3hqn h PHE 463 N 1.26 0.32 -0.89 0.92 3.57 -1.04 -1.75 116.94 119.34 3hqn h PHE 463 Ca 0.33 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3hqn h PHE 463 Cb -0.04 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3hqn h PHE 463 CO 0.00 0.33 0.49 0.00 -2.23 0.00 0.00 178.31 176.90 3hqn h ALA 464 N 0.96 1.18 -0.62 2.41 0.00 -0.94 -2.32 119.26 119.93 3hqn h ALA 464 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hqn h ALA 464 Cb 0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hqn h ALA 464 CO -0.01 0.66 0.39 0.87 0.00 0.00 0.00 179.25 181.16 3hqn h LYS 465 N 1.25 0.83 0.00 0.00 1.57 -0.89 0.47 116.57 119.80 3hqn h LYS 465 Ca 0.31 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 3hqn h LYS 465 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3hqn h LYS 465 CO -0.05 0.58 -0.32 0.66 -0.57 0.00 0.00 179.45 179.75 3hqn h SER 466 N 0.84 0.00 0.47 0.86 4.64 -1.01 -0.81 113.55 118.54 3hqn h SER 466 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hqn h SER 466 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3hqn h SER 466 CO -0.04 0.32 -0.05 0.29 -0.87 0.00 0.00 176.83 176.48 3hqn n LYS 467 N -3.85 0.55 -1.07 4.77 4.76 -0.90 -4.93 118.16 117.49 3hqn n LYS 467 Ca -0.01 -0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.31 3hqn n LYS 467 Cb 0.40 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 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 1.27 0.58 0.21 0.72 0.00 -0.31 -4.94 105.19 102.72 3hqn n GLY 468 Ca 0.15 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 0.92 -3.56 1.61 0.05 -1.12 -3.45 116.97 111.43 3hqn h TYR 469 Ca -0.05 -0.38 -0.45 0.00 0.05 0.00 0.00 58.73 57.90 3hqn h TYR 469 Cb 0.26 -0.15 -0.19 0.00 1.01 0.00 0.00 36.73 37.66 3hqn h TYR 469 CO 0.13 1.18 -0.77 0.14 -1.05 0.00 0.00 178.16 177.79 3hqn s VAL 470 N -3.87 1.46 0.39 -2.88 -7.23 -1.22 -4.73 120.40 102.31 3hqn s VAL 470 Ca -0.12 -1.73 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 3hqn s VAL 470 Cb 0.08 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3hqn s VAL 470 CO 0.87 -0.36 0.21 0.00 -0.31 0.00 0.00 175.10 175.50 3hqn n GLN 471 N 0.55 0.50 -1.62 4.82 10.64 -1.26 -4.30 117.38 126.72 3hqn n GLN 471 Ca -0.15 -3.49 -0.57 0.00 -1.83 0.00 0.00 57.00 50.96 3hqn n GLN 471 Cb 0.57 2.29 -0.07 0.00 -0.86 0.00 0.00 30.24 32.16 3hqn n GLN 471 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 3hqn n THR 472 N -0.82 0.07 -0.24 -0.39 -1.04 -1.26 -1.24 114.28 109.36 3hqn n THR 472 Ca -0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3hqn n THR 472 Cb 0.62 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 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 2.85 0.86 3.91 3.41 0.00 0.39 -4.99 105.19 111.63 3hqn n GLY 473 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.91 5.92 0.04 1.61 1.01 -0.38 -4.79 116.67 117.18 3hqn s ASP 474 Ca 0.00 0.79 -0.01 0.00 0.71 0.00 0.00 52.55 54.04 3hqn s ASP 474 Cb 0.00 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 3hqn s ASP 474 CO 0.00 -0.81 0.20 -0.31 0.21 0.00 0.00 175.17 174.46 3hqn s TYR 475 N -2.85 3.53 -0.05 4.23 2.02 -1.26 -0.42 117.35 122.55 3hqn s TYR 475 Ca 0.50 0.28 0.02 0.00 -0.37 0.00 0.00 57.07 57.51 3hqn s TYR 475 Cb -0.10 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3hqn s TYR 475 CO 0.45 0.61 -0.10 0.00 -1.57 0.00 0.00 175.55 174.93 3hqn s VAL 477 N 0.56 5.24 -0.08 0.00 1.01 -0.65 -0.24 120.40 126.24 3hqn s VAL 477 Ca -0.11 0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.50 3hqn s VAL 477 Cb -0.14 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3hqn s VAL 477 CO 0.02 0.29 -0.20 -0.69 0.00 0.00 0.00 175.10 174.52 3hqn s VAL 478 N 1.13 2.51 -0.01 2.92 1.01 0.17 -0.35 120.40 127.78 3hqn s VAL 478 Ca 0.17 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 3hqn s VAL 478 Cb -0.14 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3hqn s VAL 478 CO 0.07 0.56 0.02 -0.51 0.00 0.00 0.00 175.10 175.24 3hqn s ILE 479 N -0.10 -0.03 0.05 2.22 -1.16 -0.26 -0.56 121.20 121.36 3hqn s ILE 479 Ca -0.04 0.13 0.07 0.00 -0.51 0.00 0.00 60.65 60.30 3hqn s ILE 479 Cb -0.14 -0.05 -0.03 0.00 0.61 0.00 0.00 42.46 42.84 3hqn s ILE 479 CO 0.04 0.05 -0.16 -1.38 -2.81 0.00 0.00 174.94 170.68 3hqn s HIS 480 N 0.63 2.61 -0.22 3.50 -3.43 -0.11 -1.17 115.29 117.10 3hqn s HIS 480 Ca -0.05 -0.22 -0.12 0.00 -0.80 0.00 0.00 55.06 53.86 3hqn s HIS 480 Cb -0.08 -1.46 0.07 0.00 -1.43 0.00 0.00 32.58 29.68 3hqn s HIS 480 CO -0.02 0.30 0.53 0.00 -2.00 0.00 0.00 174.74 173.56 3hqn s ALA 481 N -0.99 -1.42 -0.03 -1.38 0.00 -1.26 -1.55 121.76 115.13 3hqn s ALA 481 Ca 0.16 1.93 -0.02 0.00 0.00 0.00 0.00 51.96 54.02 3hqn s ALA 481 Cb -0.11 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.85 3hqn s ALA 481 CO 0.07 -0.34 0.05 2.48 0.00 0.00 0.00 175.76 178.01 3hqn n TYR 488 N 4.35 -1.69 -2.12 0.00 0.18 -1.26 -4.61 117.16 112.01 3hqn n TYR 488 Ca -0.21 1.00 -0.37 0.00 1.88 0.00 0.00 57.90 60.20 3hqn n TYR 488 Cb 0.56 -2.04 0.01 0.00 -0.38 0.00 0.00 39.34 37.49 3hqn n TYR 488 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hqn s ALA 489 N -0.23 2.81 0.29 -3.48 0.00 -1.26 -5.00 121.76 114.89 3hqn s ALA 489 Ca -0.05 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 3hqn s ALA 489 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.72 3hqn s ALA 489 CO 0.15 -0.92 0.48 0.27 0.00 0.00 0.00 175.76 175.74 3hqn n ASN 490 N -0.95 -1.38 0.00 0.00 0.23 -1.26 -5.00 115.26 106.90 3hqn n ASN 490 Ca 0.10 -2.36 0.00 0.00 -0.53 0.00 0.00 54.58 51.79 3hqn n ASN 490 Cb 0.48 2.41 0.00 0.00 -2.08 0.00 0.00 39.78 40.60 3hqn n ASN 490 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 3hqn n GLN 491 N -0.43 0.00 -4.27 -3.83 7.27 -0.59 -4.95 117.38 110.57 3hqn n GLN 491 Ca -0.03 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.86 3hqn n GLN 491 Cb 0.46 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.96 3hqn n GLN 491 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3hqn s THR 492 N -0.93 0.58 -0.01 1.69 2.01 -1.26 -0.93 115.64 116.79 3hqn s THR 492 Ca 0.00 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3hqn s THR 492 Cb 0.00 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 3hqn s THR 492 CO 0.00 0.18 -0.10 -0.13 -0.69 0.00 0.00 174.62 173.88 3hqn s ARG 493 N -0.01 0.84 -0.46 4.92 0.52 0.28 -5.00 118.95 120.05 3hqn s ARG 493 Ca 0.01 -0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 3hqn s ARG 493 Cb -0.05 -0.81 0.07 0.00 0.52 0.00 0.00 34.95 34.69 3hqn s ARG 493 CO -0.00 0.21 0.36 0.42 0.02 0.00 0.00 175.30 176.31 3hqn s ILE 494 N -0.19 5.01 -0.11 1.52 1.01 -1.26 -0.66 121.20 126.52 3hqn s ILE 494 Ca 0.03 -1.12 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 3hqn s ILE 494 Cb -0.04 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 3hqn s ILE 494 CO -0.00 -0.55 0.60 -0.22 0.00 0.00 0.00 174.94 174.76 3hqn s LEU 495 N 1.59 4.27 -0.20 2.97 0.20 0.66 -4.94 118.68 123.24 3hqn s LEU 495 Ca 0.04 0.98 -0.25 0.00 0.69 0.00 0.00 54.13 55.58 3hqn s LEU 495 Cb -0.24 -2.89 -0.01 0.00 -0.43 0.00 0.00 46.19 42.62 3hqn s LEU 495 CO 0.06 -0.10 0.84 -0.22 -0.29 0.00 0.00 176.35 176.64 3hqn s LEU 496 N 0.93 4.14 0.10 -0.68 2.96 -1.26 -1.07 118.68 123.79 3hqn s LEU 496 Ca 0.31 1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 55.05 3hqn s LEU 496 Cb -0.16 -3.23 -0.07 0.00 0.50 0.00 0.00 46.19 43.23 3hqn s LEU 496 CO 0.14 -0.46 1.24 -0.69 -1.32 0.00 0.00 176.35 175.26 3hqn s VAL 497 N 2.46 3.79 -2.40 1.68 1.01 0.44 -4.91 120.40 122.46 3hqn s VAL 497 Ca 0.37 1.32 0.29 0.00 0.00 0.00 0.00 61.98 63.96 3hqn s VAL 497 Cb -0.16 -3.85 0.62 0.00 0.00 0.00 0.00 36.38 33.00 3hqn s VAL 497 CO 0.10 0.13 1.84 -0.62 0.00 0.00 0.00 175.10 176.55