#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqp h GLN 2 N 0.00 -0.07 -0.33 4.33 5.75 -2.05 -1.23 115.11 121.50 3hqp h GLN 2 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3hqp h GLN 2 Cb 0.00 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.48 3hqp h GLN 2 CO 0.00 -0.05 -0.47 1.25 -2.65 0.00 0.00 178.83 176.92 3hqp h LEU 3 N -0.07 -1.53 -1.22 -2.39 6.46 -2.06 -0.91 115.31 113.58 3hqp h LEU 3 Ca 0.05 0.22 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 3hqp h LEU 3 Cb 0.15 0.65 -0.05 0.00 -0.73 0.00 0.00 40.66 40.68 3hqp h LEU 3 CO -0.12 -0.40 0.54 0.00 -0.62 0.00 0.00 178.44 177.84 3hqp h ALA 4 N 0.20 1.50 -0.43 1.25 0.00 -1.98 -2.24 119.26 117.56 3hqp h ALA 4 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hqp h ALA 4 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hqp h ALA 4 CO -0.54 0.42 0.28 1.25 0.00 0.00 0.00 179.25 180.67 3hqp h HIS 5 N 1.01 0.54 -0.52 0.00 -0.00 -0.10 -2.79 115.15 113.31 3hqp h HIS 5 Ca 0.33 0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.83 3hqp h HIS 5 Cb 0.04 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 3hqp h HIS 5 CO -0.00 0.35 0.36 -0.91 -0.00 0.00 0.00 177.93 177.73 3hqp h ASN 6 N 0.58 0.13 1.02 3.26 2.35 -0.58 0.17 115.58 122.50 3hqp h ASN 6 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3hqp h ASN 6 Cb -0.06 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 3hqp h ASN 6 CO -0.03 0.07 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.68 3hqp h LEU 7 N 0.14 0.00 -0.13 1.61 3.38 -1.42 -2.87 115.31 116.02 3hqp h LEU 7 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hqp h LEU 7 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hqp h LEU 7 CO -0.03 0.07 -0.35 0.35 0.09 0.00 0.00 178.44 178.57 3hqp n THR 8 N -3.19 0.00 -2.49 0.22 -2.24 0.04 -4.92 114.28 101.70 3hqp n THR 8 Ca 0.01 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 3hqp n THR 8 Cb 0.35 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3hqp n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqp s LEU 9 N -2.84 3.76 0.03 3.22 1.43 -1.09 -5.08 118.68 118.11 3hqp s LEU 9 Ca 0.16 1.78 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 3hqp s LEU 9 Cb 0.18 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3hqp s LEU 9 CO 0.62 -0.71 -0.05 -0.55 0.23 0.00 0.00 176.35 175.88 3hqp s SER 10 N -2.40 0.55 0.46 2.29 0.15 -1.26 -5.03 113.70 108.45 3hqp s SER 10 Ca 0.64 -0.56 0.26 0.00 0.70 0.00 0.00 55.95 56.98 3hqp s SER 10 Cb -0.13 0.08 0.92 0.00 -1.71 0.00 0.00 66.02 65.18 3hqp s SER 10 CO 0.24 -0.28 1.82 0.16 1.20 0.00 0.00 173.24 176.38 3hqp h ILE 11 N 4.47 0.39 0.00 6.45 3.07 -2.01 -2.96 117.51 126.93 3hqp h ILE 11 Ca -0.34 -1.03 0.00 0.00 1.55 0.00 0.00 64.86 65.04 3hqp h ILE 11 Cb 1.20 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 39.52 3hqp h ILE 11 CO 0.43 0.17 -0.15 0.49 -1.05 0.00 0.00 178.15 178.03 3hqp n PHE 12 N -3.29 0.74 -1.65 0.16 3.72 -1.26 -4.92 117.46 110.96 3hqp n PHE 12 Ca 0.01 0.21 -0.52 0.00 -0.05 0.00 0.00 57.45 57.10 3hqp n PHE 12 Cb 0.43 -0.82 -0.06 0.00 -0.94 0.00 0.00 39.48 38.09 3hqp n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hqp n ASP 13 N -2.14 2.37 -4.76 4.37 8.00 -1.12 -4.88 116.55 118.40 3hqp n ASP 13 Ca 0.05 1.08 -0.41 0.00 0.71 0.00 0.00 54.79 56.22 3hqp n ASP 13 Cb 0.42 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.25 3hqp n ASP 13 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3hqp s PRO 14 N 1.96 4.39 0.77 -0.24 0.04 -1.26 -5.01 135.00 135.64 3hqp s PRO 14 Ca 0.89 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.96 3hqp s PRO 14 Cb -0.90 -3.11 0.05 0.00 0.04 0.00 0.00 34.50 30.58 3hqp s PRO 14 CO 0.51 -0.18 1.08 0.14 0.04 0.00 0.00 177.00 178.60 3hqp s VAL 15 N -0.80 3.37 0.85 -0.36 -7.23 -1.26 -4.98 120.40 110.00 3hqp s VAL 15 Ca 0.51 0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 61.01 3hqp s VAL 15 Cb -0.38 -3.17 0.10 0.00 0.56 0.00 0.00 36.38 33.49 3hqp s VAL 15 CO 0.48 -0.58 1.09 0.00 -0.31 0.00 0.00 175.10 175.78 3hqp s ALA 16 N -3.10 1.82 -2.04 1.32 0.00 -1.26 -4.95 121.76 113.55 3hqp s ALA 16 Ca 0.60 -0.06 0.13 0.00 0.00 0.00 0.00 51.96 52.63 3hqp s ALA 16 Cb -0.15 -3.18 0.70 0.00 0.00 0.00 0.00 23.12 20.50 3hqp s ALA 16 CO 0.55 -2.11 1.46 0.27 0.00 0.00 0.00 175.76 175.93 3hqp n ASN 17 N -3.72 0.34 -3.85 0.00 2.04 -1.26 -4.83 115.26 103.99 3hqp n ASN 17 Ca 0.07 -1.66 -0.12 0.00 -0.44 0.00 0.00 54.58 52.44 3hqp n ASN 17 Cb 0.55 -0.03 -0.10 0.00 -2.53 0.00 0.00 39.78 37.67 3hqp n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hqp s TYR 18 N -1.94 -0.02 -0.21 -2.53 -0.85 -1.26 -5.06 117.35 105.48 3hqp s TYR 18 Ca 0.20 -0.01 -0.07 0.00 -0.52 0.00 0.00 57.07 56.67 3hqp s TYR 18 Cb 0.10 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 3hqp s TYR 18 CO 0.16 -0.29 0.07 0.50 -1.52 0.00 0.00 175.55 174.47 3hqp s ARG 19 N -1.24 3.87 -0.04 -3.49 3.52 -1.26 -5.00 118.95 115.30 3hqp s ARG 19 Ca -0.13 -0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 54.93 3hqp s ARG 19 Cb -0.07 -3.27 -0.32 0.00 -1.56 0.00 0.00 34.95 29.74 3hqp s ARG 19 CO 0.02 0.10 0.76 0.00 -0.81 0.00 0.00 175.30 175.37 3hqp h ALA 20 N 7.27 0.04 -2.41 6.12 0.00 -1.94 -3.43 119.26 124.90 3hqp h ALA 20 Ca -0.37 -1.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.05 3hqp h ALA 20 Cb 1.17 0.34 0.08 0.00 0.00 0.00 0.00 17.79 19.38 3hqp h ALA 20 CO 0.65 0.81 0.38 0.00 0.00 0.00 0.00 179.25 181.09 3hqp s ALA 21 N -2.54 2.65 0.02 0.00 0.00 -1.26 0.28 121.76 120.90 3hqp s ALA 21 Ca -0.15 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.41 3hqp s ALA 21 Cb 0.04 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3hqp s ALA 21 CO 0.86 -0.94 -0.25 1.03 0.00 0.00 0.00 175.76 176.46 3hqp s ARG 22 N -3.93 1.95 -0.12 0.00 1.81 -0.84 -4.91 118.95 112.91 3hqp s ARG 22 Ca 0.66 -1.03 -0.01 0.00 -1.72 0.00 0.00 55.73 53.63 3hqp s ARG 22 Cb -0.19 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.26 3hqp s ARG 22 CO 0.36 0.53 -0.07 0.42 -0.68 0.00 0.00 175.30 175.87 3hqp s ILE 23 N -0.75 3.63 -0.10 1.52 1.01 -1.26 -1.13 121.20 124.11 3hqp s ILE 23 Ca 0.11 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3hqp s ILE 23 Cb -0.10 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3hqp s ILE 23 CO 0.01 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.73 3hqp s ILE 24 N -0.05 3.07 -0.07 2.92 1.01 -0.44 -1.36 121.20 126.29 3hqp s ILE 24 Ca -0.00 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3hqp s ILE 24 Cb -0.13 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 3hqp s ILE 24 CO 0.03 0.55 -0.21 0.00 0.00 0.00 0.00 174.94 175.31 3hqp s THR 26 N 0.17 4.92 -0.19 0.00 -4.23 -0.84 -0.30 115.64 115.16 3hqp s THR 26 Ca -0.10 1.16 -0.15 0.00 -1.18 0.00 0.00 61.69 61.42 3hqp s THR 26 Cb -0.15 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 3hqp s THR 26 CO 0.05 0.45 0.36 -0.63 -0.54 0.00 0.00 174.62 174.31 3hqp s ILE 27 N -0.37 5.23 0.00 2.99 -1.09 -0.36 -2.52 121.20 125.08 3hqp s ILE 27 Ca 0.29 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 3hqp s ILE 27 Cb -0.18 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 3hqp s ILE 27 CO 0.16 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 3hqp n GLY 28 N 3.84 4.71 0.37 6.18 0.00 -1.25 -4.74 105.19 114.30 3hqp n GLY 28 Ca -0.10 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 44.65 3hqp n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqp h PRO 29 N 0.00 0.58 0.00 1.61 0.11 -1.79 0.76 132.00 133.28 3hqp h PRO 29 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3hqp h PRO 29 Cb 0.00 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3hqp h PRO 29 CO 0.00 0.39 -0.12 0.77 -0.21 0.00 0.00 178.00 178.83 3hqp h SER 30 N 0.60 0.00 0.00 -2.05 0.02 -1.62 -3.36 113.55 107.14 3hqp h SER 30 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 3hqp h SER 30 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3hqp h SER 30 CO -0.37 0.12 -0.15 0.35 -1.14 0.00 0.00 176.83 175.64 3hqp n THR 31 N -3.51 0.30 0.10 -2.27 -2.24 0.13 -4.88 114.28 101.91 3hqp n THR 31 Ca -0.01 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 3hqp n THR 31 Cb 0.26 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 3hqp n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqp h GLN 32 N 0.00 0.00 -7.22 -0.78 4.15 -1.34 -3.34 115.11 106.58 3hqp h GLN 32 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 3hqp h GLN 32 Cb 1.06 0.00 0.17 0.00 0.21 0.00 0.00 27.48 28.92 3hqp h GLN 32 CO 0.00 0.62 0.33 -1.54 -1.93 0.00 0.00 178.83 176.31 3hqp s SER 33 N -6.45 3.76 0.30 -0.69 1.04 -1.26 -4.80 113.70 105.60 3hqp s SER 33 Ca 0.02 2.26 -0.00 0.00 0.48 0.00 0.00 55.95 58.71 3hqp s SER 33 Cb 0.08 -2.58 0.46 0.00 0.10 0.00 0.00 66.02 64.08 3hqp s SER 33 CO 0.77 -2.55 1.88 1.62 0.98 0.00 0.00 173.24 175.95 3hqp h VAL 34 N -0.91 1.21 -0.15 5.02 3.04 -1.90 -1.31 116.25 121.24 3hqp h VAL 34 Ca -0.46 -0.67 -0.00 0.00 -1.01 0.00 0.00 66.70 64.56 3hqp h VAL 34 Cb 1.28 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 3hqp h VAL 34 CO 0.47 0.26 0.09 -0.08 -1.01 0.00 0.00 177.57 177.30 3hqp h GLU 35 N 0.83 0.21 -0.62 4.17 4.57 -1.95 -1.62 114.58 120.19 3hqp h GLU 35 Ca 0.20 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3hqp h GLU 35 Cb 0.17 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3hqp h GLU 35 CO -0.02 0.22 0.11 0.00 -1.18 0.00 0.00 179.01 178.15 3hqp h ALA 36 N 0.98 0.82 -0.86 2.92 0.00 -1.83 -2.52 119.26 118.77 3hqp h ALA 36 Ca 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hqp h ALA 36 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3hqp h ALA 36 CO -0.01 0.56 0.43 -0.07 0.00 0.00 0.00 179.25 180.16 3hqp h LEU 37 N 0.92 1.11 -0.72 0.00 3.38 -1.12 -0.87 115.31 118.01 3hqp h LEU 37 Ca 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hqp h LEU 37 Cb 0.41 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hqp h LEU 37 CO 0.01 0.92 0.40 0.11 0.09 0.00 0.00 178.44 179.97 3hqp h LYS 38 N 1.22 1.00 -0.29 1.13 1.57 -1.13 0.37 116.57 120.43 3hqp h LYS 38 Ca 0.30 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3hqp h LYS 38 Cb 0.09 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3hqp h LYS 38 CO -0.04 0.74 0.04 0.78 -0.57 0.00 0.00 179.45 180.40 3hqp h GLY 39 N 0.99 0.32 0.89 3.86 0.00 -0.99 -1.28 103.07 106.85 3hqp h GLY 39 Ca 0.25 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.61 3hqp h GLY 39 CO -0.04 -0.03 0.64 1.41 0.00 0.00 0.00 176.54 178.52 3hqp h LEU 40 N 0.14 1.07 -0.28 3.11 4.07 -0.64 -1.16 115.31 121.61 3hqp h LEU 40 Ca 0.14 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 3hqp h LEU 40 Cb 0.16 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3hqp h LEU 40 CO -0.20 0.74 0.04 0.40 -1.08 0.00 0.00 178.44 178.34 3hqp h ILE 41 N 1.24 1.23 0.00 1.22 2.04 -0.58 -0.62 117.51 122.05 3hqp h ILE 41 Ca 0.39 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3hqp h ILE 41 Cb -0.01 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3hqp h ILE 41 CO -0.12 0.26 -0.28 1.56 0.00 0.00 0.00 178.15 179.57 3hqp h GLN 42 N 0.29 0.00 0.00 2.37 4.20 -1.02 -2.34 115.11 118.61 3hqp h GLN 42 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hqp h GLN 42 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hqp h GLN 42 CO 0.01 0.28 0.00 0.77 -0.67 0.00 0.00 178.83 179.22 3hqp h SER 43 N 0.00 0.00 0.00 1.46 0.02 -1.09 -3.47 113.55 110.47 3hqp h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqp h SER 43 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3hqp h SER 43 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 3hqp n GLY 44 N 1.09 0.51 3.73 -3.77 0.00 -0.88 -3.83 105.19 102.04 3hqp n GLY 44 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hqp n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hqp s MET 45 N 0.00 4.31 -0.03 1.61 0.00 -0.27 -4.38 119.30 120.54 3hqp s MET 45 Ca 0.00 2.19 0.08 0.00 0.00 0.00 0.00 55.69 57.96 3hqp s MET 45 Cb 0.00 -3.16 -0.12 0.00 0.00 0.00 0.00 34.83 31.55 3hqp s MET 45 CO 0.00 -0.39 0.13 0.43 0.00 0.00 0.00 175.02 175.19 3hqp n SER 46 N 2.89 3.15 -3.81 1.11 7.64 -0.47 -4.66 113.62 119.47 3hqp n SER 46 Ca 0.08 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.80 3hqp n SER 46 Cb 0.41 1.15 -0.16 0.00 -1.01 0.00 0.00 64.21 64.60 3hqp n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqp s VAL 47 N -2.44 0.12 -0.27 0.44 1.01 -1.07 -2.57 120.40 115.62 3hqp s VAL 47 Ca -0.03 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 3hqp s VAL 47 Cb 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3hqp s VAL 47 CO 0.33 0.13 0.29 0.00 0.00 0.00 0.00 175.10 175.84 3hqp s ALA 48 N 1.02 3.55 -0.20 5.51 0.00 0.08 -1.42 121.76 130.29 3hqp s ALA 48 Ca -0.10 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 3hqp s ALA 48 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 3hqp s ALA 48 CO -0.02 -0.58 0.16 0.50 0.00 0.00 0.00 175.76 175.82 3hqp s ARG 49 N 1.87 4.18 -0.22 0.00 3.52 0.58 -0.62 118.95 128.27 3hqp s ARG 49 Ca 0.11 -0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 55.48 3hqp s ARG 49 Cb -0.16 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 3hqp s ARG 49 CO 0.10 0.25 -0.03 -1.64 -0.81 0.00 0.00 175.30 173.17 3hqp s MET 50 N 0.50 3.43 -0.46 5.12 -1.94 0.35 -1.23 119.30 125.07 3hqp s MET 50 Ca 0.09 -0.60 -0.17 0.00 -1.71 0.00 0.00 55.69 53.29 3hqp s MET 50 Cb -0.12 -3.03 0.05 0.00 2.01 0.00 0.00 34.83 33.74 3hqp s MET 50 CO -0.00 -0.16 0.49 1.21 -0.01 0.00 0.00 175.02 176.55 3hqp s ASN 51 N 1.39 6.19 -0.00 3.03 3.84 -1.26 -0.27 114.94 127.86 3hqp s ASN 51 Ca 0.05 -0.92 0.02 0.00 0.21 0.00 0.00 52.86 52.21 3hqp s ASN 51 Cb -0.14 -2.23 0.05 0.00 -0.55 0.00 0.00 41.25 38.37 3hqp s ASN 51 CO -0.02 -0.70 1.00 0.49 -2.79 0.00 0.00 177.10 175.08 3hqp n PHE 52 N 5.68 0.08 0.55 0.43 3.01 0.36 -2.00 117.46 125.57 3hqp n PHE 52 Ca -0.08 -0.04 0.13 0.00 1.01 0.00 0.00 57.45 58.47 3hqp n PHE 52 Cb 0.46 -0.01 0.31 0.00 -0.01 0.00 0.00 39.48 40.23 3hqp n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hqp h SER 53 N 0.30 0.00 -4.09 4.37 0.02 -1.83 -3.41 113.55 108.91 3hqp h SER 53 Ca 0.00 -0.04 -0.36 0.00 -0.84 0.00 0.00 61.79 60.55 3hqp h SER 53 Cb 0.12 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.49 3hqp h SER 53 CO 0.00 0.02 -0.74 -1.00 -1.14 0.00 0.00 176.83 173.98 3hqp s HIS 54 N -3.14 1.27 0.37 3.45 3.76 -0.85 -5.03 115.29 115.12 3hqp s HIS 54 Ca 0.09 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 3hqp s HIS 54 Cb 0.11 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 33.14 3hqp s HIS 54 CO 0.64 0.09 0.00 0.41 -0.85 0.00 0.00 174.74 175.03 3hqp n GLY 55 N 0.29 -2.70 4.02 -2.22 0.00 -1.26 -4.82 105.19 98.50 3hqp n GLY 55 Ca -0.14 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 3hqp n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hqp s SER 56 N -6.44 5.10 0.34 1.61 1.04 -1.26 -4.95 113.70 109.14 3hqp s SER 56 Ca 0.00 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3hqp s SER 56 Cb 0.00 0.08 0.65 0.00 0.10 0.00 0.00 66.02 66.85 3hqp s SER 56 CO 0.00 -1.31 1.94 0.45 0.98 0.00 0.00 173.24 175.31 3hqp h HIS 57 N 0.16 0.88 -0.30 5.02 -0.00 -1.99 -1.73 115.15 117.20 3hqp h HIS 57 Ca -0.33 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.06 3hqp h HIS 57 Cb 1.28 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 3hqp h HIS 57 CO 0.35 0.47 0.15 1.49 -0.00 0.00 0.00 177.93 180.39 3hqp h GLU 58 N 0.87 0.42 0.30 2.45 4.81 -1.99 -0.40 114.58 121.04 3hqp h GLU 58 Ca 0.34 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3hqp h GLU 58 Cb 0.21 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3hqp h GLU 58 CO -0.11 0.37 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.31 3hqp h TYR 59 N 0.35 -0.83 0.00 0.92 3.20 -1.81 -2.83 116.97 115.96 3hqp h TYR 59 Ca 0.10 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3hqp h TYR 59 Cb 0.09 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3hqp h TYR 59 CO -0.03 -0.44 -0.16 0.45 -1.64 0.00 0.00 178.16 176.34 3hqp h HIS 60 N -0.65 0.00 -0.78 -3.82 3.86 -1.25 -1.98 115.15 110.53 3hqp h HIS 60 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3hqp h HIS 60 Cb 0.59 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 3hqp h HIS 60 CO -0.19 0.16 0.42 0.37 0.86 0.00 0.00 177.93 179.54 3hqp h GLN 61 N 0.00 1.10 -0.79 2.45 5.75 -0.84 -0.27 115.11 122.52 3hqp h GLN 61 Ca -0.00 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 3hqp h GLN 61 Cb 0.47 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 3hqp h GLN 61 CO 0.02 0.82 0.37 1.15 -2.65 0.00 0.00 178.83 178.55 3hqp h THR 62 N 1.09 1.25 0.96 2.39 2.02 -1.16 0.31 112.91 119.77 3hqp h THR 62 Ca 0.27 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 3hqp h THR 62 Cb 0.06 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3hqp h THR 62 CO -0.04 0.30 -0.46 0.74 0.37 0.00 0.00 175.52 176.42 3hqp h THR 63 N 1.12 0.03 -0.75 3.16 2.02 -1.24 0.13 112.91 117.38 3hqp h THR 63 Ca 0.27 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.53 3hqp h THR 63 Cb 0.12 0.03 -0.13 0.00 -1.74 0.00 0.00 68.15 66.44 3hqp h THR 63 CO -0.03 0.00 -0.42 0.40 0.37 0.00 0.00 175.52 175.83 3hqp h ILE 64 N -1.32 0.07 -0.14 3.11 2.04 -0.86 0.26 117.51 120.67 3hqp h ILE 64 Ca -0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3hqp h ILE 64 Cb 0.99 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3hqp h ILE 64 CO 0.22 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 179.11 3hqp h ASN 65 N -0.12 -0.14 -0.49 1.72 2.35 -0.90 -2.05 115.58 115.95 3hqp h ASN 65 Ca 0.24 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 3hqp h ASN 65 Cb 0.55 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 3hqp h ASN 65 CO -0.80 -0.05 0.01 0.78 -1.65 0.00 0.00 177.43 175.71 3hqp h ASN 66 N -0.01 0.88 0.06 5.81 2.35 0.02 -0.70 115.58 123.99 3hqp h ASN 66 Ca 0.07 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3hqp h ASN 66 Cb 0.11 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3hqp h ASN 66 CO -0.15 0.93 -0.03 0.58 -1.65 0.00 0.00 177.43 177.12 3hqp h VAL 67 N 0.84 0.96 -0.45 2.81 2.07 -0.42 0.12 116.25 122.19 3hqp h VAL 67 Ca 0.16 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3hqp h VAL 67 Cb 0.49 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3hqp h VAL 67 CO 0.02 0.02 0.25 0.03 0.02 0.00 0.00 177.57 177.92 3hqp h ARG 68 N -0.12 0.60 -0.05 1.57 3.08 -1.19 0.10 114.38 118.36 3hqp h ARG 68 Ca -0.01 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 3hqp h ARG 68 Cb 0.10 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3hqp h ARG 68 CO 0.01 0.44 -0.39 0.37 -1.07 0.00 0.00 179.97 179.33 3hqp h GLN 69 N 0.61 0.36 0.22 0.04 4.15 -0.93 -2.43 115.11 117.14 3hqp h GLN 69 Ca 0.16 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3hqp h GLN 69 Cb -0.00 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3hqp h GLN 69 CO -0.03 0.97 -0.22 0.00 -1.93 0.00 0.00 178.83 177.62 3hqp h ALA 70 N 0.40 -0.45 -0.62 3.38 0.00 -0.53 -1.98 119.26 119.46 3hqp h ALA 70 Ca -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hqp h ALA 70 Cb 1.06 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 3hqp h ALA 70 CO 0.08 -0.78 0.25 0.00 0.00 0.00 0.00 179.25 178.80 3hqp h ALA 71 N 0.24 1.28 -0.32 0.00 0.00 -0.90 -2.19 119.26 117.37 3hqp h ALA 71 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3hqp h ALA 71 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hqp h ALA 71 CO -0.06 0.54 -0.27 0.00 0.00 0.00 0.00 179.25 179.46 3hqp h ALA 72 N 1.39 0.94 -0.02 0.00 0.00 -1.37 0.77 119.26 120.97 3hqp h ALA 72 Ca 0.21 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3hqp h ALA 72 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hqp h ALA 72 CO -0.02 0.61 -0.56 0.93 0.00 0.00 0.00 179.25 180.21 3hqp h GLU 73 N 0.55 0.07 -0.01 0.00 5.08 -0.94 -2.69 114.58 116.65 3hqp h GLU 73 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hqp h GLU 73 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3hqp h GLU 73 CO 0.06 0.61 -0.31 1.28 -1.00 0.00 0.00 179.01 179.65 3hqp n LEU 74 N -3.88 1.03 -2.41 1.33 4.77 -0.86 -4.98 117.00 112.00 3hqp n LEU 74 Ca -0.02 -0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.55 3hqp n LEU 74 Cb 0.57 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3hqp n LEU 74 CO 0.42 0.20 0.14 0.61 -1.33 0.00 0.00 177.39 177.43 3hqp n GLY 75 N 1.37 0.02 3.34 -0.72 0.00 -0.36 -5.05 105.19 103.79 3hqp n GLY 75 Ca 0.11 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 3hqp n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqp s VAL 76 N -3.20 1.14 -0.23 1.61 -7.23 0.12 -5.02 120.40 107.59 3hqp s VAL 76 Ca 0.31 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 3hqp s VAL 76 Cb -0.14 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 3hqp s VAL 76 CO 0.45 -0.35 0.05 0.20 -0.31 0.00 0.00 175.10 175.14 3hqp s ASN 77 N -3.32 5.05 -0.13 4.85 0.01 -1.26 -4.34 114.94 115.80 3hqp s ASN 77 Ca 0.28 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 3hqp s ASN 77 Cb 0.05 -1.89 0.01 0.00 0.41 0.00 0.00 41.25 39.83 3hqp s ASN 77 CO 0.09 0.00 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.85 3hqp s ILE 78 N 1.39 1.90 0.29 0.60 -1.09 -1.26 -4.79 121.20 118.24 3hqp s ILE 78 Ca 0.05 -0.89 -0.29 0.00 -2.23 0.00 0.00 60.65 57.29 3hqp s ILE 78 Cb -0.15 -1.69 -0.10 0.00 -1.58 0.00 0.00 42.46 38.94 3hqp s ILE 78 CO 0.03 0.52 1.17 0.00 -1.23 0.00 0.00 174.94 175.43 3hqp s ALA 79 N 0.84 3.44 -0.20 9.38 0.00 -1.06 -4.90 121.76 129.25 3hqp s ALA 79 Ca -0.07 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 3hqp s ALA 79 Cb -0.15 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3hqp s ALA 79 CO -0.01 -0.32 -0.04 0.42 0.00 0.00 0.00 175.76 175.81 3hqp s ILE 80 N -1.04 3.51 -0.12 0.00 1.01 -1.26 -0.74 121.20 122.55 3hqp s ILE 80 Ca 0.47 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3hqp s ILE 80 Cb -0.34 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3hqp s ILE 80 CO 0.44 0.44 -0.15 0.00 0.00 0.00 0.00 174.94 175.66 3hqp s ALA 81 N 1.17 2.52 -0.40 9.38 0.00 0.21 -1.64 121.76 133.01 3hqp s ALA 81 Ca 0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 3hqp s ALA 81 Cb -0.14 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.86 3hqp s ALA 81 CO -0.01 0.26 0.31 -1.17 0.00 0.00 0.00 175.76 175.15 3hqp s LEU 82 N 0.35 4.93 -0.32 0.00 0.20 -0.60 -0.50 118.68 122.74 3hqp s LEU 82 Ca -0.13 -0.75 -0.18 0.00 0.69 0.00 0.00 54.13 53.77 3hqp s LEU 82 Cb -0.16 -2.20 -0.01 0.00 -0.43 0.00 0.00 46.19 43.39 3hqp s LEU 82 CO 0.06 -0.42 0.50 -0.62 -0.29 0.00 0.00 176.35 175.58 3hqp s ASP 83 N 1.71 6.34 0.79 3.68 -1.08 0.62 -0.36 116.67 128.37 3hqp s ASP 83 Ca 0.07 0.13 -0.12 0.00 -0.52 0.00 0.00 52.55 52.11 3hqp s ASP 83 Cb -0.18 -2.27 0.07 0.00 -1.46 0.00 0.00 42.92 39.08 3hqp s ASP 83 CO 0.11 -0.41 1.14 0.42 0.52 0.00 0.00 175.17 176.94 3hqp s THR 84 N 2.36 2.62 -0.07 1.71 -4.23 -0.73 -0.49 115.64 116.81 3hqp s THR 84 Ca 0.19 0.20 -0.26 0.00 -1.18 0.00 0.00 61.69 60.64 3hqp s THR 84 Cb -0.15 -3.12 -0.21 0.00 1.34 0.00 0.00 72.50 70.35 3hqp s THR 84 CO 0.12 -0.26 1.03 0.11 -0.54 0.00 0.00 174.62 175.07 3hqp h LYS 85 N -1.01 -0.03 0.00 3.99 1.57 -1.91 -3.39 116.57 115.78 3hqp h LYS 85 Ca -0.47 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.44 3hqp h LYS 85 Cb 1.30 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 3hqp h LYS 85 CO 0.64 0.61 -0.16 0.41 -0.57 0.00 0.00 179.45 180.37 3hqp n GLY 86 N 0.76 -1.91 3.32 3.86 0.00 -1.26 -4.31 105.19 105.65 3hqp n GLY 86 Ca -0.09 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 3hqp n GLY 86 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hqp n PRO 87 N -1.99 1.93 -4.40 1.61 -0.02 -1.26 -4.88 135.00 125.99 3hqp n PRO 87 Ca 0.00 -2.38 -0.22 0.00 -2.02 0.00 0.00 63.50 58.88 3hqp n PRO 87 Cb 0.21 -3.37 -0.10 0.00 -0.02 0.00 0.00 33.50 30.22 3hqp n PRO 87 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3hqp s GLU 88 N 5.29 1.48 -0.06 -0.52 -1.05 -1.26 -4.97 118.70 117.60 3hqp s GLU 88 Ca 0.60 -1.63 0.03 0.00 -0.15 0.00 0.00 54.97 53.82 3hqp s GLU 88 Cb 0.07 -1.47 -0.02 0.00 -0.44 0.00 0.00 34.13 32.27 3hqp s GLU 88 CO 0.10 0.27 -0.14 0.42 0.95 0.00 0.00 175.26 176.86 3hqp s ILE 89 N -2.56 3.10 0.12 1.83 1.01 -1.26 -4.96 121.20 118.48 3hqp s ILE 89 Ca 0.24 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.23 3hqp s ILE 89 Cb -0.04 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3hqp s ILE 89 CO 0.10 0.58 -0.10 -0.13 0.00 0.00 0.00 174.94 175.40 3hqp s ARG 90 N -0.58 0.96 0.81 2.79 1.81 -1.26 -2.02 118.95 121.47 3hqp s ARG 90 Ca 0.08 -1.35 -0.10 0.00 -1.72 0.00 0.00 55.73 52.64 3hqp s ARG 90 Cb -0.11 -0.53 0.12 0.00 -0.45 0.00 0.00 34.95 33.98 3hqp s ARG 90 CO 0.01 0.06 1.14 0.95 -0.68 0.00 0.00 175.30 176.79 3hqp s THR 91 N -3.14 2.11 0.00 0.02 -4.23 0.05 -1.48 115.64 108.97 3hqp s THR 91 Ca 0.13 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 3hqp s THR 91 Cb 0.02 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.93 3hqp s THR 91 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3hqp n GLY 92 N -3.26 0.58 3.97 3.99 0.00 0.62 -4.12 105.19 106.97 3hqp n GLY 92 Ca 0.12 -1.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 3hqp n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hqp s GLN 93 N 0.83 3.29 0.02 1.61 -0.21 0.24 -1.47 119.66 123.97 3hqp s GLN 93 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 55.36 54.58 3hqp s GLN 93 Cb 0.00 -2.85 -0.02 0.00 1.00 0.00 0.00 33.01 31.14 3hqp s GLN 93 CO 0.00 0.28 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.18 3hqp s PHE 94 N -2.06 1.93 -0.00 0.91 0.08 -1.26 -0.34 117.98 117.23 3hqp s PHE 94 Ca 0.38 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.76 3hqp s PHE 94 Cb -0.09 -1.18 -0.07 0.00 -0.57 0.00 0.00 43.02 41.10 3hqp s PHE 94 CO 0.30 0.06 1.83 0.08 -0.10 0.00 0.00 175.22 177.38 3hqp s VAL 95 N -0.71 3.27 0.00 -0.44 1.01 -0.21 -1.35 120.40 121.97 3hqp s VAL 95 Ca 0.08 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3hqp s VAL 95 Cb -0.09 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3hqp s VAL 95 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3hqp n GLY 96 N 4.36 0.72 0.27 4.51 0.00 -1.26 -4.40 105.19 109.39 3hqp n GLY 96 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3hqp n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqp n GLY 97 N -2.45 2.97 3.31 -0.02 0.00 -0.46 -5.00 105.19 103.54 3hqp n GLY 97 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 3hqp n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hqp s ASP 98 N 0.00 1.36 -0.05 1.61 3.84 -1.26 -1.77 116.67 120.40 3hqp s ASP 98 Ca 0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 52.55 51.00 3hqp s ASP 98 Cb 0.00 0.39 0.02 0.00 -1.38 0.00 0.00 42.92 41.96 3hqp s ASP 98 CO 0.00 -0.89 -0.02 0.00 -0.00 0.00 0.00 175.17 174.26 3hqp s ALA 99 N -3.67 0.58 -0.69 2.11 0.00 0.56 -4.64 121.76 116.02 3hqp s ALA 99 Ca 0.37 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 3hqp s ALA 99 Cb 0.05 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.77 3hqp s ALA 99 CO 0.18 -0.14 0.98 0.08 0.00 0.00 0.00 175.76 176.85 3hqp s VAL 100 N 1.21 4.37 0.06 0.00 1.01 -1.26 -1.36 120.40 124.43 3hqp s VAL 100 Ca -0.07 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 3hqp s VAL 100 Cb -0.14 -4.69 -0.06 0.00 0.00 0.00 0.00 36.38 31.49 3hqp s VAL 100 CO -0.02 -1.46 0.74 -0.04 0.00 0.00 0.00 175.10 174.33 3hqp s MET 101 N 3.91 4.48 -0.09 2.72 -1.94 0.13 -4.87 119.30 123.63 3hqp s MET 101 Ca 0.23 1.03 0.03 0.00 -1.71 0.00 0.00 55.69 55.28 3hqp s MET 101 Cb -0.16 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.34 3hqp s MET 101 CO 0.08 0.35 -0.20 -2.00 -0.01 0.00 0.00 175.02 173.23 3hqp s GLU 102 N -0.27 2.67 -0.01 2.03 2.12 -1.26 -1.12 118.70 122.86 3hqp s GLU 102 Ca 0.37 -0.75 -0.37 0.00 0.36 0.00 0.00 54.97 54.59 3hqp s GLU 102 Cb -0.21 -2.06 -0.16 0.00 0.26 0.00 0.00 34.13 31.96 3hqp s GLU 102 CO 0.23 0.12 1.53 -2.13 -0.54 0.00 0.00 175.26 174.46 3hqp n ARG 103 N 3.67 1.41 0.00 4.30 0.63 -1.26 -1.15 116.66 124.26 3hqp n ARG 103 Ca -0.20 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 3hqp n ARG 103 Cb 0.52 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.23 3hqp n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hqp n GLY 104 N 3.25 3.20 3.71 5.14 0.00 0.10 -4.94 105.19 115.65 3hqp n GLY 104 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3hqp n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp s ALA 105 N -2.63 1.86 -0.21 4.61 0.00 -0.30 -4.75 121.76 120.35 3hqp s ALA 105 Ca 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 3hqp s ALA 105 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 3hqp s ALA 105 CO 0.00 -2.25 -0.08 -0.08 0.00 0.00 0.00 175.76 173.35 3hqp s THR 106 N -2.52 3.05 0.34 0.00 -1.32 -1.26 -1.29 115.64 112.62 3hqp s THR 106 Ca 0.67 -0.61 0.09 0.00 -1.21 0.00 0.00 61.69 60.63 3hqp s THR 106 Cb -0.23 -2.36 -0.06 0.00 -1.51 0.00 0.00 72.50 68.33 3hqp s THR 106 CO 0.54 0.46 -0.07 0.00 -2.21 0.00 0.00 174.62 173.33 3hqp s TYR 108 N -2.72 2.52 -0.16 0.00 2.02 0.92 -0.02 117.35 119.91 3hqp s TYR 108 Ca 0.32 -1.22 -0.07 0.00 -0.37 0.00 0.00 57.07 55.74 3hqp s TYR 108 Cb 0.04 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 3hqp s TYR 108 CO 0.16 -0.55 0.07 0.14 -1.57 0.00 0.00 175.55 173.79 3hqp s VAL 109 N 0.76 4.84 0.09 0.71 -7.23 -0.57 -1.89 120.40 117.11 3hqp s VAL 109 Ca -0.09 -0.02 0.06 0.00 -1.81 0.00 0.00 61.98 60.12 3hqp s VAL 109 Cb -0.16 -3.15 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 3hqp s VAL 109 CO 0.00 0.50 -0.16 0.28 -0.31 0.00 0.00 175.10 175.41 3hqp s THR 110 N 0.01 1.34 -0.60 5.32 -1.32 -0.50 -0.32 115.64 119.57 3hqp s THR 110 Ca 0.06 -1.45 0.16 0.00 -1.21 0.00 0.00 61.69 59.25 3hqp s THR 110 Cb -0.12 -1.30 0.70 0.00 -1.51 0.00 0.00 72.50 70.27 3hqp s THR 110 CO 0.01 -0.20 1.62 0.35 -2.21 0.00 0.00 174.62 174.18 3hqp n THR 111 N 1.09 2.24 -2.81 5.08 -2.24 -0.80 -0.66 114.28 116.17 3hqp n THR 111 Ca -0.20 -1.40 -0.43 0.00 -2.27 0.00 0.00 64.05 59.75 3hqp n THR 111 Cb 0.54 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 3hqp n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqp s ASP 112 N -1.07 6.65 0.00 3.42 3.68 -1.26 -4.93 116.67 123.15 3hqp s ASP 112 Ca 0.49 0.51 0.11 0.00 2.13 0.00 0.00 52.55 55.80 3hqp s ASP 112 Cb 0.35 -2.46 0.56 0.00 -1.45 0.00 0.00 42.92 39.92 3hqp s ASP 112 CO 0.18 -0.88 1.29 -2.65 0.13 0.00 0.00 175.17 173.25 3hqp n PRO 113 N 6.81 0.12 0.27 4.34 -0.02 -1.26 -1.61 135.00 143.65 3hqp n PRO 113 Ca 0.07 0.21 0.16 0.00 -2.02 0.00 0.00 63.50 61.91 3hqp n PRO 113 Cb 0.48 -1.50 0.74 0.00 -0.02 0.00 0.00 33.50 33.20 3hqp n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp h ALA 114 N 2.51 1.07 -0.59 3.55 0.00 -2.00 -2.82 119.26 120.98 3hqp h ALA 114 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hqp h ALA 114 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hqp h ALA 114 CO 0.00 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.53 3hqp n PHE 115 N -3.28 0.77 0.03 0.00 3.01 -0.64 -4.56 117.46 112.80 3hqp n PHE 115 Ca -0.01 -0.41 -0.02 0.00 1.01 0.00 0.00 57.45 58.03 3hqp n PHE 115 Cb 0.28 -0.00 0.25 0.00 -0.01 0.00 0.00 39.48 40.00 3hqp n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqp h ALA 116 N 4.18 1.23 -0.23 4.37 0.00 -1.64 -2.98 119.26 124.19 3hqp h ALA 116 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hqp h ALA 116 Cb 0.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hqp h ALA 116 CO 0.00 0.50 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 3hqp n ASP 117 N -4.18 2.94 -2.66 0.00 5.75 -1.26 0.80 116.55 117.94 3hqp n ASP 117 Ca -0.00 -1.87 -0.10 0.00 -0.01 0.00 0.00 54.79 52.82 3hqp n ASP 117 Cb 0.35 -0.14 0.03 0.00 -1.03 0.00 0.00 41.12 40.33 3hqp n ASP 117 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hqp n LYS 118 N 1.13 1.51 -2.50 0.11 5.02 -1.13 -4.67 118.16 117.64 3hqp n LYS 118 Ca 0.14 -3.43 -0.33 0.00 -2.02 0.00 0.00 58.31 52.67 3hqp n LYS 118 Cb 0.50 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 3hqp n LYS 118 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3hqp s GLY 119 N -3.29 2.23 0.24 0.72 0.00 0.54 -4.79 107.32 102.98 3hqp s GLY 119 Ca 0.30 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 45.33 3hqp s GLY 119 CO 0.00 0.62 0.25 -0.51 0.00 0.00 0.00 173.10 173.46 3hqp s THR 120 N -2.39 0.00 0.58 0.90 -4.23 0.64 -1.05 115.64 110.09 3hqp s THR 120 Ca 0.61 -1.87 0.29 0.00 -1.18 0.00 0.00 61.69 59.54 3hqp s THR 120 Cb -0.11 -2.47 0.39 0.00 1.34 0.00 0.00 72.50 71.65 3hqp s THR 120 CO 0.25 0.00 1.91 0.07 -0.54 0.00 0.00 174.62 176.31 3hqp h LYS 121 N 2.43 0.00 0.06 3.99 2.10 -1.90 -2.70 116.57 120.54 3hqp h LYS 121 Ca -0.32 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.00 3hqp h LYS 121 Cb 1.25 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.54 3hqp h LYS 121 CO 0.46 0.00 -1.92 -0.25 -2.00 0.00 0.00 179.45 175.73 3hqp n ASP 122 N -3.83 1.45 -3.66 7.07 8.00 -1.26 -4.63 116.55 119.68 3hqp n ASP 122 Ca 0.09 0.27 -0.10 0.00 0.71 0.00 0.00 54.79 55.76 3hqp n ASP 122 Cb 0.68 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.30 3hqp n ASP 122 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hqp s LYS 123 N -2.57 0.30 0.19 -1.24 2.20 -1.02 -0.06 119.74 117.54 3hqp s LYS 123 Ca -0.15 0.96 -0.08 0.00 -0.36 0.00 0.00 55.97 56.34 3hqp s LYS 123 Cb 0.07 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 3hqp s LYS 123 CO 0.79 -0.25 0.30 -0.59 -0.36 0.00 0.00 175.35 175.24 3hqp s PHE 124 N 2.43 0.51 0.00 4.03 -0.71 -0.79 -0.26 117.98 123.19 3hqp s PHE 124 Ca -0.02 -0.85 -0.11 0.00 -1.04 0.00 0.00 56.93 54.91 3hqp s PHE 124 Cb -0.12 -0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.56 3hqp s PHE 124 CO -0.12 -0.76 0.34 -0.47 -1.34 0.00 0.00 175.22 172.86 3hqp s TYR 125 N -4.01 3.64 -0.06 3.49 5.04 -1.26 -1.41 117.35 122.79 3hqp s TYR 125 Ca 0.21 0.79 0.03 0.00 -2.44 0.00 0.00 57.07 55.67 3hqp s TYR 125 Cb 0.03 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.20 3hqp s TYR 125 CO 0.04 0.62 -0.17 0.42 -1.34 0.00 0.00 175.55 175.12 3hqp s ILE 126 N -1.20 1.44 -2.13 3.14 1.01 0.17 -0.28 121.20 123.35 3hqp s ILE 126 Ca 0.25 -0.69 0.18 0.00 0.00 0.00 0.00 60.65 60.40 3hqp s ILE 126 Cb -0.15 -1.27 0.46 0.00 0.01 0.00 0.00 42.46 41.51 3hqp s ILE 126 CO 0.14 0.42 1.57 -0.90 0.00 0.00 0.00 174.94 176.17 3hqp n ASP 127 N 3.49 0.88 -4.48 3.58 5.75 -0.55 -4.25 116.55 120.97 3hqp n ASP 127 Ca -0.20 -1.61 -0.43 0.00 -0.01 0.00 0.00 54.79 52.53 3hqp n ASP 127 Cb 0.52 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.49 3hqp n ASP 127 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hqp s TYR 128 N -1.88 3.02 0.22 2.11 5.04 -1.26 -4.96 117.35 119.65 3hqp s TYR 128 Ca 0.28 -0.32 -0.09 0.00 -2.44 0.00 0.00 57.07 54.50 3hqp s TYR 128 Cb 0.14 -3.54 0.20 0.00 0.35 0.00 0.00 41.96 39.11 3hqp s TYR 128 CO 0.22 -1.02 1.89 1.96 -1.34 0.00 0.00 175.55 177.26 3hqp h GLN 129 N 9.00 1.09 -1.08 4.97 1.08 -1.92 -2.42 115.11 125.83 3hqp h GLN 129 Ca -0.27 -0.07 -0.44 0.00 -1.45 0.00 0.00 58.65 56.43 3hqp h GLN 129 Cb 1.09 -0.25 -0.23 0.00 -0.05 0.00 0.00 27.48 28.04 3hqp h GLN 129 CO 0.96 0.72 0.56 0.27 -0.95 0.00 0.00 178.83 180.39 3hqp n ASN 130 N -4.51 4.76 -0.24 1.46 6.94 -1.26 -4.51 115.26 117.90 3hqp n ASN 130 Ca 0.09 -3.31 0.08 0.00 -0.02 0.00 0.00 54.58 51.41 3hqp n ASN 130 Cb 0.02 -0.84 0.33 0.00 -2.36 0.00 0.00 39.78 36.93 3hqp n ASN 130 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3hqp h LEU 131 N 1.41 0.73 -1.26 -4.53 5.85 -1.85 -2.33 115.31 113.33 3hqp h LEU 131 Ca 0.48 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.17 3hqp h LEU 131 Cb 1.92 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 3hqp h LEU 131 CO 0.98 0.44 -0.26 0.28 -0.34 0.00 0.00 178.44 179.54 3hqp h SER 132 N 0.81 0.00 0.67 1.25 0.02 -1.86 -2.18 113.55 112.26 3hqp h SER 132 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3hqp h SER 132 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3hqp h SER 132 CO -0.15 0.26 -0.37 0.29 -1.14 0.00 0.00 176.83 175.72 3hqp n LYS 133 N -3.54 0.03 -0.11 3.45 5.02 -0.89 -4.10 118.16 118.01 3hqp n LYS 133 Ca -0.01 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3hqp n LYS 133 Cb 0.41 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.76 3hqp n LYS 133 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hqp n VAL 134 N -1.56 1.41 -4.34 -0.18 0.31 -1.01 -4.98 118.33 107.97 3hqp n VAL 134 Ca 0.06 -0.72 -0.31 0.00 -0.01 0.00 0.00 64.34 63.36 3hqp n VAL 134 Cb 0.35 -0.88 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 3hqp n VAL 134 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3hqp s VAL 135 N -2.49 3.67 0.36 2.52 -7.23 -0.85 -5.07 120.40 111.30 3hqp s VAL 135 Ca -0.20 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 3hqp s VAL 135 Cb 0.07 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3hqp s VAL 135 CO 0.72 0.28 0.09 -0.13 -0.31 0.00 0.00 175.10 175.75 3hqp s ARG 136 N -1.75 2.19 0.28 4.82 0.52 -1.26 -4.80 118.95 118.95 3hqp s ARG 136 Ca 0.20 -1.72 -0.30 0.00 -0.52 0.00 0.00 55.73 53.38 3hqp s ARG 136 Cb -0.11 -2.00 -0.13 0.00 0.52 0.00 0.00 34.95 33.23 3hqp s ARG 136 CO 0.11 0.06 1.40 -2.30 0.02 0.00 0.00 175.30 174.59 3hqp n PRO 137 N -1.08 2.16 0.00 3.54 -0.02 -1.26 -2.38 135.00 135.96 3hqp n PRO 137 Ca -0.03 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3hqp n PRO 137 Cb 0.63 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3hqp n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqp n GLY 138 N 1.74 1.31 3.90 -1.23 0.00 0.47 -4.98 105.19 106.39 3hqp n GLY 138 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3hqp n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqp s ASN 139 N -2.21 5.61 -0.01 1.61 0.02 -1.00 -4.79 114.94 114.17 3hqp s ASN 139 Ca 0.00 0.98 0.01 0.00 -1.02 0.00 0.00 52.86 52.83 3hqp s ASN 139 Cb 0.00 -1.90 -0.04 0.00 0.02 0.00 0.00 41.25 39.33 3hqp s ASN 139 CO 0.00 -1.16 0.01 -0.31 0.02 0.00 0.00 177.10 175.66 3hqp s TYR 140 N -3.17 3.10 -0.21 2.20 2.02 -1.26 -1.03 117.35 119.00 3hqp s TYR 140 Ca 0.56 0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 57.34 3hqp s TYR 140 Cb -0.11 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3hqp s TYR 140 CO 0.49 0.47 -0.12 0.42 -1.57 0.00 0.00 175.55 175.24 3hqp s ILE 141 N -1.08 2.70 -0.06 2.71 1.01 -0.29 -4.90 121.20 121.29 3hqp s ILE 141 Ca 0.19 -0.78 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 3hqp s ILE 141 Cb -0.12 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3hqp s ILE 141 CO 0.10 0.44 0.49 -0.31 0.00 0.00 0.00 174.94 175.65 3hqp s TYR 142 N 1.37 3.61 -0.03 3.97 1.51 -1.02 -1.38 117.35 125.38 3hqp s TYR 142 Ca 0.04 0.99 0.04 0.00 -1.01 0.00 0.00 57.07 57.13 3hqp s TYR 142 Cb -0.14 -2.50 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 3hqp s TYR 142 CO -0.08 0.33 -0.15 0.42 -1.11 0.00 0.00 175.55 174.97 3hqp s ILE 143 N -0.01 1.22 -0.72 2.71 -1.09 0.10 -1.46 121.20 121.95 3hqp s ILE 143 Ca 0.26 -0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 58.03 3hqp s ILE 143 Cb -0.16 -1.04 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 3hqp s ILE 143 CO 0.13 0.35 0.65 -0.67 -1.23 0.00 0.00 174.94 174.17 3hqp n ASP 144 N 2.96 -6.29 -4.05 3.58 2.03 0.44 -1.36 116.55 113.87 3hqp n ASP 144 Ca -0.16 -0.30 -0.33 0.00 0.52 0.00 0.00 54.79 54.51 3hqp n ASP 144 Cb 0.54 -4.43 -0.00 0.00 -0.72 0.00 0.00 41.12 36.50 3hqp n ASP 144 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hqp n ASP 145 N -2.23 -4.05 -0.36 1.67 8.00 -1.26 -1.86 116.55 116.46 3hqp n ASP 145 Ca -0.03 -0.88 -0.05 0.00 0.71 0.00 0.00 54.79 54.55 3hqp n ASP 145 Cb 0.55 -3.27 -0.02 0.00 -0.02 0.00 0.00 41.12 38.36 3hqp n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqp n GLY 146 N -1.51 0.68 0.18 0.44 0.00 -1.17 -4.78 105.19 99.03 3hqp n GLY 146 Ca 0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3hqp n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hqp h ILE 147 N 0.00 1.32 -3.14 -0.61 2.04 -1.05 -3.43 117.51 112.64 3hqp h ILE 147 Ca -0.10 -1.40 -0.67 0.00 1.00 0.00 0.00 64.86 63.69 3hqp h ILE 147 Cb 0.56 1.72 -0.13 0.00 -0.74 0.00 0.00 36.82 38.22 3hqp h ILE 147 CO 0.14 0.43 -0.58 -0.22 0.00 0.00 0.00 178.15 177.92 3hqp s LEU 148 N -9.02 3.81 -0.04 1.44 2.96 -0.47 -4.99 118.68 112.36 3hqp s LEU 148 Ca -0.13 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3hqp s LEU 148 Cb 0.07 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3hqp s LEU 148 CO 0.80 0.37 -0.20 -0.63 -1.32 0.00 0.00 176.35 175.37 3hqp s ILE 149 N -0.79 1.61 -0.09 6.68 1.01 -1.26 0.03 121.20 128.38 3hqp s ILE 149 Ca 0.12 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3hqp s ILE 149 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3hqp s ILE 149 CO 0.03 0.46 -0.12 -0.76 0.00 0.00 0.00 174.94 174.54 3hqp s LEU 150 N -0.08 2.80 -0.26 2.97 1.43 -0.48 -2.18 118.68 122.87 3hqp s LEU 150 Ca -0.02 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 3hqp s LEU 150 Cb -0.12 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3hqp s LEU 150 CO 0.02 0.25 0.27 -1.58 0.23 0.00 0.00 176.35 175.54 3hqp s GLN 151 N -0.18 4.01 0.26 1.70 0.74 -0.21 -1.13 119.66 124.85 3hqp s GLN 151 Ca 0.00 -0.14 -0.31 0.00 0.05 0.00 0.00 55.36 54.96 3hqp s GLN 151 Cb -0.13 -3.63 -0.11 0.00 1.10 0.00 0.00 33.01 30.23 3hqp s GLN 151 CO 0.03 -0.17 1.61 0.08 -0.55 0.00 0.00 175.29 176.30 3hqp s VAL 152 N 1.73 2.13 -0.14 1.34 1.01 -0.19 -0.82 120.40 125.47 3hqp s VAL 152 Ca 0.11 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 3hqp s VAL 152 Cb -0.15 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 3hqp s VAL 152 CO 0.09 0.01 -0.14 1.67 0.00 0.00 0.00 175.10 176.74 3hqp n GLN 153 N 2.75 0.33 -3.70 2.72 -0.06 0.10 -0.39 117.38 119.14 3hqp n GLN 153 Ca 0.10 0.09 -0.01 0.00 -2.00 0.00 0.00 57.00 55.19 3hqp n GLN 153 Cb 0.37 -1.20 -0.01 0.00 -4.06 0.00 0.00 30.24 25.35 3hqp n GLN 153 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3hqp s SER 154 N -5.57 -0.12 -0.22 1.69 1.04 -1.15 -4.76 113.70 104.62 3hqp s SER 154 Ca -0.19 -0.28 -0.22 0.00 0.48 0.00 0.00 55.95 55.75 3hqp s SER 154 Cb 0.05 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3hqp s SER 154 CO 0.29 -0.62 0.67 -1.00 0.98 0.00 0.00 173.24 173.57 3hqp s HIS 155 N -2.86 3.34 -0.10 5.02 3.76 -1.26 -0.03 115.29 123.17 3hqp s HIS 155 Ca 0.13 0.95 -0.23 0.00 -0.15 0.00 0.00 55.06 55.76 3hqp s HIS 155 Cb 0.02 -2.87 -0.20 0.00 1.11 0.00 0.00 32.58 30.64 3hqp s HIS 155 CO -0.01 -0.26 0.78 0.93 -0.85 0.00 0.00 174.74 175.33 3hqp h GLU 156 N 7.63 -0.05 0.00 1.40 4.39 -1.73 -3.47 114.58 122.76 3hqp h GLU 156 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3hqp h GLU 156 Cb 1.13 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3hqp h GLU 156 CO 0.79 0.62 0.00 -0.40 -1.16 0.00 0.00 179.01 178.86 3hqp n ASP 157 N -4.74 0.08 0.23 1.42 5.68 -1.21 -4.98 116.55 113.03 3hqp n ASP 157 Ca -0.08 -0.17 0.16 0.00 -0.50 0.00 0.00 54.79 54.20 3hqp n ASP 157 Cb 0.34 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.03 3hqp n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hqp h GLU 158 N 0.00 0.00 0.00 0.11 4.81 -2.03 -3.22 114.58 114.24 3hqp h GLU 158 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hqp h GLU 158 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hqp h GLU 158 CO 0.00 0.00 -0.28 1.04 -0.73 0.00 0.00 179.01 179.04 3hqp n GLN 159 N -2.74 3.97 -4.29 1.92 6.02 -1.26 -4.91 117.38 116.09 3hqp n GLN 159 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.66 3hqp n GLN 159 Cb 0.21 -0.57 -0.09 0.00 1.02 0.00 0.00 30.24 30.81 3hqp n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqp s THR 160 N -1.06 4.29 -0.07 5.09 2.01 -1.22 -1.91 115.64 122.77 3hqp s THR 160 Ca 0.00 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3hqp s THR 160 Cb 0.00 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.63 3hqp s THR 160 CO 0.00 0.46 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.44 3hqp s LEU 161 N -1.33 1.91 -0.07 4.42 1.43 0.56 -1.99 118.68 123.61 3hqp s LEU 161 Ca 0.18 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 3hqp s LEU 161 Cb -0.11 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3hqp s LEU 161 CO 0.08 0.13 0.92 -0.70 0.23 0.00 0.00 176.35 177.00 3hqp s GLU 162 N 0.34 4.45 0.11 1.70 2.12 0.96 -1.51 118.70 126.88 3hqp s GLU 162 Ca -0.13 1.26 0.05 0.00 0.36 0.00 0.00 54.97 56.50 3hqp s GLU 162 Cb -0.16 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 3hqp s GLU 162 CO 0.06 -0.16 -0.12 0.00 -0.54 0.00 0.00 175.26 174.50 3hqp s THR 164 N -2.36 4.26 -0.36 0.00 2.01 0.00 -1.13 115.64 118.06 3hqp s THR 164 Ca 0.07 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 3hqp s THR 164 Cb -0.03 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.56 3hqp s THR 164 CO 0.01 0.44 1.32 -0.69 -0.69 0.00 0.00 174.62 175.01 3hqp s VAL 165 N 0.77 4.07 -0.37 3.82 1.01 -0.42 -1.04 120.40 128.25 3hqp s VAL 165 Ca 0.01 1.15 0.23 0.00 0.00 0.00 0.00 61.98 63.38 3hqp s VAL 165 Cb -0.14 -4.23 0.17 0.00 0.00 0.00 0.00 36.38 32.18 3hqp s VAL 165 CO 0.02 -0.64 1.34 0.71 0.00 0.00 0.00 175.10 176.53 3hqp h THR 166 N 6.17 0.00 -2.97 3.92 1.35 -1.75 0.30 112.91 119.93 3hqp h THR 166 Ca -0.26 -0.96 -0.12 0.00 -0.55 0.00 0.00 66.41 64.52 3hqp h THR 166 Cb 1.10 1.70 -0.21 0.00 -1.73 0.00 0.00 68.15 69.01 3hqp h THR 166 CO 1.06 0.00 -0.27 0.54 -0.25 0.00 0.00 175.52 176.60 3hqp s ASN 167 N -5.66 -0.25 0.18 5.36 2.20 -1.26 -4.72 114.94 110.79 3hqp s ASN 167 Ca 0.04 0.26 -0.31 0.00 -0.94 0.00 0.00 52.86 51.91 3hqp s ASN 167 Cb 0.08 0.42 -0.09 0.00 -2.00 0.00 0.00 41.25 39.66 3hqp s ASN 167 CO 0.73 -0.37 1.40 -0.44 -2.94 0.00 0.00 177.10 175.47 3hqp s SER 168 N -0.95 6.78 -0.28 3.54 0.01 -1.26 -4.15 113.70 117.38 3hqp s SER 168 Ca -0.10 2.46 -0.23 0.00 1.31 0.00 0.00 55.95 59.38 3hqp s SER 168 Cb -0.04 -2.60 0.12 0.00 0.21 0.00 0.00 66.02 63.70 3hqp s SER 168 CO 0.03 -0.64 0.99 -2.28 0.41 0.00 0.00 173.24 171.76 3hqp s HIS 169 N 0.54 -0.53 -0.24 2.43 5.04 -0.27 -4.93 115.29 117.33 3hqp s HIS 169 Ca 0.61 1.24 -0.14 0.00 -1.54 0.00 0.00 55.06 55.23 3hqp s HIS 169 Cb -0.39 0.36 -0.04 0.00 0.04 0.00 0.00 32.58 32.55 3hqp s HIS 169 CO 0.36 -0.25 0.31 0.99 -2.34 0.00 0.00 174.74 173.80 3hqp s THR 170 N 0.44 5.24 -0.09 0.89 2.01 -1.26 -0.70 115.64 122.17 3hqp s THR 170 Ca 0.01 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.51 3hqp s THR 170 Cb -0.05 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 3hqp s THR 170 CO -0.07 0.24 -0.16 0.27 -0.69 0.00 0.00 174.62 174.21 3hqp s ILE 171 N 1.54 2.85 0.69 1.82 -4.36 -0.46 -4.94 121.20 118.33 3hqp s ILE 171 Ca 0.14 -0.76 -0.01 0.00 -0.26 0.00 0.00 60.65 59.75 3hqp s ILE 171 Cb -0.15 -2.14 0.11 0.00 1.25 0.00 0.00 42.46 41.53 3hqp s ILE 171 CO 0.08 0.55 0.96 -0.44 0.24 0.00 0.00 174.94 176.34 3hqp s SER 172 N -0.05 4.51 0.34 4.36 0.01 -1.26 -0.32 113.70 121.29 3hqp s SER 172 Ca -0.04 -0.24 -0.27 0.00 1.31 0.00 0.00 55.95 56.71 3hqp s SER 172 Cb -0.14 -0.23 -0.13 0.00 0.21 0.00 0.00 66.02 65.73 3hqp s SER 172 CO 0.04 -1.74 1.04 0.47 0.41 0.00 0.00 173.24 173.46 3hqp n ASP 173 N -2.77 1.46 -3.65 2.44 8.00 -0.73 -3.61 116.55 117.69 3hqp n ASP 173 Ca 0.13 1.13 -0.28 0.00 0.71 0.00 0.00 54.79 56.48 3hqp n ASP 173 Cb 0.60 -1.34 0.03 0.00 -0.02 0.00 0.00 41.12 40.40 3hqp n ASP 173 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3hqp n ARG 174 N 0.51 -1.21 -2.38 -1.24 1.85 -0.54 -4.98 116.66 108.66 3hqp n ARG 174 Ca 0.09 0.59 -0.40 0.00 -1.00 0.00 0.00 57.85 57.13 3hqp n ARG 174 Cb 0.35 -3.96 -0.03 0.00 -1.05 0.00 0.00 32.46 27.77 3hqp n ARG 174 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3hqp s ARG 175 N -5.60 4.46 0.33 2.89 3.00 -1.24 -4.76 118.95 118.04 3hqp s ARG 175 Ca 0.36 1.87 -0.28 0.00 0.00 0.00 0.00 55.73 57.68 3hqp s ARG 175 Cb -0.14 -3.04 -0.10 0.00 0.00 0.00 0.00 34.95 31.68 3hqp s ARG 175 CO 0.86 0.03 1.21 0.20 0.00 0.00 0.00 175.30 177.60 3hqp s GLY 176 N -0.89 2.99 -0.03 -3.53 0.00 -1.26 -0.77 107.32 103.82 3hqp s GLY 176 Ca 0.48 1.08 0.06 0.00 0.00 0.00 0.00 44.72 46.34 3hqp s GLY 176 CO 0.42 1.68 -0.22 0.54 0.00 0.00 0.00 173.10 175.53 3hqp s VAL 177 N -1.21 1.75 0.02 1.40 0.11 -0.85 -0.42 120.40 121.19 3hqp s VAL 177 Ca 0.49 -0.92 0.07 0.00 -2.93 0.00 0.00 61.98 58.70 3hqp s VAL 177 Cb -0.35 -1.47 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 3hqp s VAL 177 CO 0.46 0.49 -0.22 0.20 -3.33 0.00 0.00 175.10 172.70 3hqp s ASN 178 N -0.30 2.67 -0.58 3.54 0.01 -0.54 -4.31 114.94 115.44 3hqp s ASN 178 Ca 0.03 -0.48 0.05 0.00 -0.71 0.00 0.00 52.86 51.74 3hqp s ASN 178 Cb -0.11 -0.26 0.17 0.00 0.41 0.00 0.00 41.25 41.47 3hqp s ASN 178 CO 0.01 0.23 0.43 0.18 -1.51 0.00 0.00 177.10 176.44 3hqp n LEU 179 N 2.14 1.50 -4.75 0.60 7.99 -1.26 -2.42 117.00 120.79 3hqp n LEU 179 Ca -0.16 -4.85 -0.41 0.00 -0.01 0.00 0.00 56.01 50.57 3hqp n LEU 179 Cb 0.53 -0.18 -0.02 0.00 -0.11 0.00 0.00 43.42 43.64 3hqp n LEU 179 CO 0.23 1.81 1.22 -2.84 -1.51 0.00 0.00 177.39 176.30 3hqp s PRO 180 N -0.83 4.14 -0.95 3.23 0.02 -1.26 -2.97 135.00 136.38 3hqp s PRO 180 Ca 0.29 2.54 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 3hqp s PRO 180 Cb -0.00 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3hqp s PRO 180 CO -0.18 -0.60 0.37 0.41 -0.33 0.00 0.00 177.00 176.68 3hqp n GLY 181 N 2.00 -0.05 0.02 0.52 0.00 -1.26 -4.94 105.19 101.49 3hqp n GLY 181 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 3hqp n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp n ASP 183 N -2.04 -7.52 -4.81 0.00 4.64 -1.26 -4.97 116.55 100.58 3hqp n ASP 183 Ca -0.07 0.61 -0.38 0.00 -1.38 0.00 0.00 54.79 53.57 3hqp n ASP 183 Cb 0.50 -4.59 -0.06 0.00 -1.04 0.00 0.00 41.12 35.93 3hqp n ASP 183 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3hqp s VAL 184 N -2.14 4.68 -1.02 5.18 -7.23 -1.26 -5.00 120.40 113.61 3hqp s VAL 184 Ca 0.21 1.23 -0.21 0.00 -1.81 0.00 0.00 61.98 61.40 3hqp s VAL 184 Cb -0.05 -3.90 0.08 0.00 0.56 0.00 0.00 36.38 33.07 3hqp s VAL 184 CO 0.75 0.46 1.37 -0.62 -0.31 0.00 0.00 175.10 176.75 3hqp s ASP 185 N -1.28 6.58 -0.04 4.85 2.15 -1.26 -4.94 116.67 122.73 3hqp s ASP 185 Ca 0.33 -1.76 0.02 0.00 0.43 0.00 0.00 52.55 51.57 3hqp s ASP 185 Cb -0.19 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3hqp s ASP 185 CO 0.20 -1.32 -0.10 -0.76 -0.17 0.00 0.00 175.17 173.02 3hqp s LEU 186 N 4.09 1.68 0.55 -1.34 1.43 -1.26 -5.12 118.68 118.71 3hqp s LEU 186 Ca 0.42 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.07 3hqp s LEU 186 Cb -0.01 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 3hqp s LEU 186 CO -0.08 0.05 1.30 -2.16 0.23 0.00 0.00 176.35 175.69 3hqp s PRO 187 N 0.44 3.17 0.15 1.29 0.04 -1.26 -4.89 135.00 133.95 3hqp s PRO 187 Ca -0.09 2.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 3hqp s PRO 187 Cb -0.12 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3hqp s PRO 187 CO 0.02 -1.12 1.59 0.00 0.04 0.00 0.00 177.00 177.53 3hqp h ALA 188 N 1.41 -0.36 -3.41 8.56 0.00 -1.98 -3.38 119.26 120.10 3hqp h ALA 188 Ca -0.51 0.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.85 3hqp h ALA 188 Cb 1.29 0.73 -0.37 0.00 0.00 0.00 0.00 17.79 19.44 3hqp h ALA 188 CO 0.57 -0.81 -0.81 0.08 0.00 0.00 0.00 179.25 178.29 3hqp s VAL 189 N -5.95 1.55 0.82 0.00 1.01 -1.26 -4.61 120.40 111.96 3hqp s VAL 189 Ca -0.15 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 3hqp s VAL 189 Cb 0.11 -1.64 0.11 0.00 0.00 0.00 0.00 36.38 34.96 3hqp s VAL 189 CO 0.66 0.16 1.17 -0.94 0.00 0.00 0.00 175.10 176.16 3hqp s SER 190 N 1.44 4.23 0.16 3.32 1.04 -1.26 -4.87 113.70 117.75 3hqp s SER 190 Ca -0.01 0.55 -0.16 0.00 0.48 0.00 0.00 55.95 56.81 3hqp s SER 190 Cb -0.16 -0.96 0.04 0.00 0.10 0.00 0.00 66.02 65.04 3hqp s SER 190 CO -0.08 -2.04 1.79 0.00 0.98 0.00 0.00 173.24 173.89 3hqp h ALA 191 N -1.08 0.49 -0.80 5.32 0.00 -1.99 -1.16 119.26 120.03 3hqp h ALA 191 Ca -0.45 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3hqp h ALA 191 Cb 1.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3hqp h ALA 191 CO 0.57 -0.13 0.51 0.87 0.00 0.00 0.00 179.25 181.08 3hqp h LYS 192 N 0.44 0.97 -0.30 0.00 1.57 -1.99 -2.19 116.57 115.06 3hqp h LYS 192 Ca 0.16 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3hqp h LYS 192 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3hqp h LYS 192 CO -0.09 0.64 0.18 -0.44 -0.57 0.00 0.00 179.45 179.18 3hqp h ASP 193 N 1.00 0.37 -0.83 0.86 3.32 -1.79 0.86 116.42 120.21 3hqp h ASP 193 Ca 0.32 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.38 3hqp h ASP 193 Cb 0.01 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 3hqp h ASP 193 CO -0.11 0.31 0.50 0.03 -1.72 0.00 0.00 179.24 178.25 3hqp h ARG 194 N 0.39 0.89 -0.47 3.56 3.08 -1.02 0.19 114.38 120.99 3hqp h ARG 194 Ca 0.11 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3hqp h ARG 194 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3hqp h ARG 194 CO -0.02 0.59 0.05 0.28 -1.07 0.00 0.00 179.97 179.80 3hqp h VAL 195 N 0.91 1.25 -0.32 2.04 2.07 -1.03 -2.21 116.25 118.97 3hqp h VAL 195 Ca 0.36 -0.96 -0.16 0.00 0.82 0.00 0.00 66.70 66.76 3hqp h VAL 195 Cb 0.18 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hqp h VAL 195 CO -0.18 0.34 -0.45 0.44 0.02 0.00 0.00 177.57 177.74 3hqp h ASP 196 N 0.66 0.89 -0.03 0.57 3.32 -0.16 -1.85 116.42 119.82 3hqp h ASP 196 Ca 0.14 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 3hqp h ASP 196 Cb 0.43 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3hqp h ASP 196 CO 0.01 1.20 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.38 3hqp h LEU 197 N 0.66 0.48 -0.49 1.55 3.38 -0.67 -1.50 115.31 118.71 3hqp h LEU 197 Ca 0.04 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3hqp h LEU 197 Cb 1.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3hqp h LEU 197 CO 0.10 0.75 -0.28 -0.61 0.09 0.00 0.00 178.44 178.49 3hqp h GLN 198 N 0.41 0.94 -0.69 1.13 5.75 -1.24 -1.15 115.11 120.26 3hqp h GLN 198 Ca 0.06 -0.43 0.07 0.00 -0.15 0.00 0.00 58.65 58.19 3hqp h GLN 198 Cb 0.71 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.19 3hqp h GLN 198 CO 0.05 1.09 0.38 0.35 -2.65 0.00 0.00 178.83 178.05 3hqp h PHE 199 N 0.79 0.69 -0.53 3.99 3.57 -1.17 -1.44 116.94 122.84 3hqp h PHE 199 Ca 0.09 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3hqp h PHE 199 Cb 0.85 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3hqp h PHE 199 CO 0.05 0.31 0.13 0.78 -2.23 0.00 0.00 178.31 177.36 3hqp h GLY 200 N 0.68 0.86 0.76 2.40 0.00 -0.89 -1.33 103.07 105.54 3hqp h GLY 200 Ca 0.32 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 3hqp h GLY 200 CO -0.20 0.46 -0.05 -2.08 0.00 0.00 0.00 176.54 174.67 3hqp h VAL 201 N 0.78 1.30 -0.39 4.60 2.07 -0.93 -1.49 116.25 122.19 3hqp h VAL 201 Ca 0.17 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3hqp h VAL 201 Cb 0.28 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3hqp h VAL 201 CO -0.00 0.30 0.15 -0.33 0.02 0.00 0.00 177.57 177.71 3hqp h GLU 202 N -0.01 0.55 -0.01 1.57 5.08 -1.17 -2.81 114.58 117.78 3hqp h GLU 202 Ca 0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hqp h GLU 202 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hqp h GLU 202 CO 0.02 0.46 -0.24 1.04 -1.00 0.00 0.00 179.01 179.29 3hqp n GLN 203 N -4.38 0.95 -2.97 2.33 1.13 -0.51 -4.97 117.38 108.96 3hqp n GLN 203 Ca 0.02 -0.58 -0.11 0.00 -1.94 0.00 0.00 57.00 54.40 3hqp n GLN 203 Cb 0.15 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.05 3hqp n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hqp n GLY 204 N 1.33 0.26 3.75 1.08 0.00 -0.86 -5.01 105.19 105.73 3hqp n GLY 204 Ca 0.13 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3hqp n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqp s VAL 205 N -3.12 2.76 -0.12 1.61 -7.23 -0.62 -4.96 120.40 108.73 3hqp s VAL 205 Ca 0.26 0.39 0.15 0.00 -1.81 0.00 0.00 61.98 60.98 3hqp s VAL 205 Cb -0.11 -2.98 -0.07 0.00 0.56 0.00 0.00 36.38 33.78 3hqp s VAL 205 CO 0.32 -0.18 1.09 0.44 -0.31 0.00 0.00 175.10 176.46 3hqp h ASP 206 N 0.16 0.00 -4.90 4.85 3.32 -1.66 -3.46 116.42 114.73 3hqp h ASP 206 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 3hqp h ASP 206 Cb 1.28 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.67 3hqp h ASP 206 CO 0.53 0.58 0.26 0.00 -1.72 0.00 0.00 179.24 178.88 3hqp s MET 207 N -2.92 1.10 -0.16 3.56 0.23 -1.20 -2.52 119.30 117.40 3hqp s MET 207 Ca -0.00 -0.14 -0.02 0.00 -1.03 0.00 0.00 55.69 54.50 3hqp s MET 207 Cb 0.08 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.88 3hqp s MET 207 CO 0.79 -0.43 -0.09 0.42 -2.03 0.00 0.00 175.02 173.67 3hqp s ILE 208 N -2.57 3.25 -0.70 3.16 -1.09 0.14 -1.56 121.20 121.83 3hqp s ILE 208 Ca -0.03 -0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 57.64 3hqp s ILE 208 Cb -0.01 -2.41 0.14 0.00 -1.58 0.00 0.00 42.46 38.60 3hqp s ILE 208 CO -0.03 0.50 0.78 -0.36 -1.23 0.00 0.00 174.94 174.59 3hqp s PHE 209 N 0.64 3.21 -0.52 3.97 0.08 0.51 -0.07 117.98 125.80 3hqp s PHE 209 Ca -0.05 -1.29 -0.25 0.00 0.12 0.00 0.00 56.93 55.46 3hqp s PHE 209 Cb -0.15 -4.00 0.04 0.00 -0.57 0.00 0.00 43.02 38.33 3hqp s PHE 209 CO 0.03 -1.24 0.94 0.00 -0.10 0.00 0.00 175.22 174.84 3hqp s ALA 210 N 2.05 3.18 0.43 5.36 0.00 0.39 -1.77 121.76 131.41 3hqp s ALA 210 Ca 0.16 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 3hqp s ALA 210 Cb -0.18 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 3hqp s ALA 210 CO -0.00 -2.27 1.26 -1.12 0.00 0.00 0.00 175.76 173.63 3hqp s SER 211 N 2.63 6.19 -1.35 0.00 0.01 -1.26 -1.62 113.70 118.30 3hqp s SER 211 Ca 0.33 2.56 -0.02 0.00 1.31 0.00 0.00 55.95 60.12 3hqp s SER 211 Cb -0.12 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.49 3hqp s SER 211 CO 0.22 -0.93 0.53 0.49 0.41 0.00 0.00 173.24 173.97 3hqp n PHE 212 N -0.13 -1.75 -2.50 2.43 3.72 -1.24 -4.48 117.46 113.51 3hqp n PHE 212 Ca 0.05 0.74 -0.43 0.00 -0.05 0.00 0.00 57.45 57.76 3hqp n PHE 212 Cb 0.45 -3.89 -0.02 0.00 -0.94 0.00 0.00 39.48 35.08 3hqp n PHE 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hqp s ILE 213 N -3.83 4.39 -0.01 4.37 -1.09 -0.82 -4.75 121.20 119.46 3hqp s ILE 213 Ca 0.05 1.68 0.04 0.00 -2.23 0.00 0.00 60.65 60.20 3hqp s ILE 213 Cb -0.02 -4.08 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 3hqp s ILE 213 CO 0.86 -0.10 0.07 -2.11 -1.23 0.00 0.00 174.94 172.43 3hqp n ARG 214 N 6.12 0.99 -3.87 2.79 1.85 -1.26 -4.23 116.66 119.05 3hqp n ARG 214 Ca 0.12 -0.03 -0.09 0.00 -1.00 0.00 0.00 57.85 56.85 3hqp n ARG 214 Cb 0.46 -1.10 -0.07 0.00 -1.05 0.00 0.00 32.46 30.70 3hqp n ARG 214 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3hqp s SER 215 N -2.76 0.06 0.25 2.89 1.04 -1.26 -3.97 113.70 109.95 3hqp s SER 215 Ca -0.02 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.74 3hqp s SER 215 Cb 0.02 0.39 0.30 0.00 0.10 0.00 0.00 66.02 66.83 3hqp s SER 215 CO 0.17 -0.80 1.62 0.00 0.98 0.00 0.00 173.24 175.22 3hqp h ALA 216 N 2.64 0.93 -0.77 5.32 0.00 -1.87 -3.04 119.26 122.47 3hqp h ALA 216 Ca -0.33 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.20 3hqp h ALA 216 Cb 1.21 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 3hqp h ALA 216 CO 0.53 0.64 0.45 1.49 0.00 0.00 0.00 179.25 182.35 3hqp h GLU 217 N 0.34 0.79 -0.77 0.00 4.81 -1.96 -1.87 114.58 115.92 3hqp h GLU 217 Ca 0.03 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3hqp h GLU 217 Cb 0.91 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 3hqp h GLU 217 CO 0.08 0.52 0.40 0.37 -0.73 0.00 0.00 179.01 179.65 3hqp h GLN 218 N 0.82 1.08 -0.90 1.92 4.15 -1.95 0.65 115.11 120.88 3hqp h GLN 218 Ca 0.34 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.64 3hqp h GLN 218 Cb 0.21 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3hqp h GLN 218 CO -0.19 0.80 0.58 0.28 -1.93 0.00 0.00 178.83 178.38 3hqp h VAL 219 N 1.08 1.23 -0.58 2.39 2.07 -1.33 -1.82 116.25 119.29 3hqp h VAL 219 Ca 0.27 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3hqp h VAL 219 Cb 0.05 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 3hqp h VAL 219 CO -0.04 0.23 0.24 1.23 0.02 0.00 0.00 177.57 179.25 3hqp h GLY 220 N 1.22 0.91 0.73 2.17 0.00 -0.50 -1.57 103.07 106.03 3hqp h GLY 220 Ca 0.33 -0.48 0.06 0.00 0.00 0.00 0.00 47.33 47.23 3hqp h GLY 220 CO -0.07 0.46 0.50 -0.55 0.00 0.00 0.00 176.54 176.88 3hqp h ASP 221 N 0.79 0.79 -0.44 0.19 3.32 -0.56 0.97 116.42 121.47 3hqp h ASP 221 Ca 0.19 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3hqp h ASP 221 Cb 0.18 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3hqp h ASP 221 CO -0.02 0.51 0.00 0.58 -1.72 0.00 0.00 179.24 178.59 3hqp h VAL 222 N 0.92 1.26 -0.50 -1.35 2.07 -1.13 -1.22 116.25 116.30 3hqp h VAL 222 Ca 0.36 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3hqp h VAL 222 Cb 0.16 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3hqp h VAL 222 CO -0.17 0.36 0.21 -0.09 0.02 0.00 0.00 177.57 177.90 3hqp h ARG 223 N 0.62 0.75 -0.78 1.57 2.43 -0.77 -2.01 114.38 116.20 3hqp h ARG 223 Ca 0.13 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hqp h ARG 223 Cb 0.49 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3hqp h ARG 223 CO 0.02 0.66 0.44 0.87 -1.51 0.00 0.00 179.97 180.45 3hqp h LYS 224 N 0.67 1.07 -0.08 0.20 1.57 -0.74 -0.56 116.57 118.69 3hqp h LYS 224 Ca 0.17 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3hqp h LYS 224 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hqp h LYS 224 CO -0.02 0.77 -0.33 0.00 -0.57 0.00 0.00 179.45 179.31 3hqp h ALA 225 N 1.40 1.29 0.03 3.86 0.00 -0.77 -2.51 119.26 122.57 3hqp h ALA 225 Ca 0.28 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 3hqp h ALA 225 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hqp h ALA 225 CO -0.05 0.49 -1.00 -0.07 0.00 0.00 0.00 179.25 178.63 3hqp h LEU 226 N 0.14 0.37 0.00 0.00 3.38 -1.04 -3.44 115.31 114.71 3hqp h LEU 226 Ca 0.02 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hqp h LEU 226 Cb 0.66 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hqp h LEU 226 CO 0.05 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.35 3hqp n GLY 227 N 1.09 -0.91 0.18 0.83 0.00 -0.25 -2.53 105.19 103.59 3hqp n GLY 227 Ca -0.06 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.83 3hqp n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqp h PRO 228 N 0.00 0.03 -0.33 1.61 0.11 -1.89 -2.42 132.00 129.11 3hqp h PRO 228 Ca 0.00 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 3hqp h PRO 228 Cb 0.00 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3hqp h PRO 228 CO 0.00 0.45 -0.15 -0.22 -0.21 0.00 0.00 178.00 177.88 3hqp h LYS 229 N 0.03 0.59 -0.76 1.05 3.11 -1.99 -3.02 116.57 115.57 3hqp h LYS 229 Ca -0.00 -0.19 -0.33 0.00 -2.81 0.00 0.00 60.65 57.32 3hqp h LYS 229 Cb 0.77 -0.05 -0.20 0.00 -1.00 0.00 0.00 32.23 31.75 3hqp h LYS 229 CO 0.06 0.72 0.37 0.41 -2.81 0.00 0.00 179.45 178.19 3hqp n GLY 230 N -0.51 4.26 0.22 5.01 0.00 -1.01 -4.57 105.19 108.59 3hqp n GLY 230 Ca 0.01 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 45.03 3hqp n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqp h ARG 231 N 1.61 0.00 -0.29 1.61 0.11 -1.31 -2.96 114.38 113.15 3hqp h ARG 231 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 3hqp h ARG 231 Cb 2.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.50 3hqp h ARG 231 CO 0.82 0.26 0.00 -0.25 0.10 0.00 0.00 179.97 180.89 3hqp n ASP 232 N -3.46 2.64 -4.72 0.08 8.00 -1.26 -4.87 116.55 112.96 3hqp n ASP 232 Ca -0.00 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.21 3hqp n ASP 232 Cb 0.43 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 3hqp n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hqp s ILE 233 N -1.63 4.75 0.10 0.53 1.01 -1.12 -4.98 121.20 119.87 3hqp s ILE 233 Ca 0.35 2.02 -0.30 0.00 0.00 0.00 0.00 60.65 62.73 3hqp s ILE 233 Cb 0.20 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 3hqp s ILE 233 CO 0.29 0.22 0.97 -0.04 0.00 0.00 0.00 174.94 176.38 3hqp s MET 234 N 0.63 4.68 -0.42 2.79 -1.94 -1.05 -4.90 119.30 119.09 3hqp s MET 234 Ca 0.49 1.47 -0.12 0.00 -1.71 0.00 0.00 55.69 55.82 3hqp s MET 234 Cb -0.22 -3.38 0.06 0.00 2.01 0.00 0.00 34.83 33.30 3hqp s MET 234 CO 0.28 0.17 0.29 0.42 -0.01 0.00 0.00 175.02 176.17 3hqp s ILE 235 N 0.11 4.67 -0.34 2.53 1.01 -1.26 0.28 121.20 128.19 3hqp s ILE 235 Ca 0.48 -1.12 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 3hqp s ILE 235 Cb -0.23 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3hqp s ILE 235 CO 0.30 -0.45 0.31 -0.63 0.00 0.00 0.00 174.94 174.47 3hqp s ILE 236 N 1.54 5.22 -0.18 2.92 -1.09 0.91 -1.22 121.20 129.29 3hqp s ILE 236 Ca 0.03 -0.02 -0.22 0.00 -2.23 0.00 0.00 60.65 58.20 3hqp s ILE 236 Cb -0.22 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 3hqp s ILE 236 CO 0.05 -0.04 0.70 0.00 -1.23 0.00 0.00 174.94 174.41 3hqp s LYS 238 N 1.91 3.94 -0.47 0.00 1.02 -0.64 -0.63 119.74 124.87 3hqp s LYS 238 Ca 0.32 0.38 -0.19 0.00 0.02 0.00 0.00 55.97 56.50 3hqp s LYS 238 Cb -0.16 -3.71 0.04 0.00 -0.52 0.00 0.00 37.83 33.47 3hqp s LYS 238 CO 0.11 -0.56 0.60 0.42 -0.92 0.00 0.00 175.35 175.01 3hqp s ILE 239 N 2.64 4.88 -0.00 2.17 -1.09 -0.53 -1.94 121.20 127.33 3hqp s ILE 239 Ca 0.26 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 3hqp s ILE 239 Cb -0.15 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.52 3hqp s ILE 239 CO 0.11 -0.67 0.93 -1.84 -1.23 0.00 0.00 174.94 172.25 3hqp n GLU 240 N 6.13 0.06 -4.14 2.79 0.28 -1.26 -2.75 120.64 121.75 3hqp n GLU 240 Ca -0.05 -0.98 -0.14 0.00 -0.16 0.00 0.00 57.16 55.83 3hqp n GLU 240 Cb 0.47 -0.54 -0.06 0.00 1.43 0.00 0.00 31.44 32.74 3hqp n GLU 240 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hqp s ASN 241 N -0.92 0.78 0.08 -1.84 2.20 -1.26 -3.53 114.94 110.45 3hqp s ASN 241 Ca 0.01 -1.44 -0.21 0.00 -0.94 0.00 0.00 52.86 50.28 3hqp s ASN 241 Cb 0.01 0.57 -0.10 0.00 -2.00 0.00 0.00 41.25 39.73 3hqp s ASN 241 CO 0.00 -1.13 1.60 -0.74 -2.94 0.00 0.00 177.10 173.89 3hqp h HIS 242 N 2.24 0.27 -0.11 1.54 -0.00 -1.95 -2.63 115.15 114.51 3hqp h HIS 242 Ca -0.29 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 59.97 3hqp h HIS 242 Cb 1.24 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 3hqp h HIS 242 CO 1.15 0.36 -0.33 -0.56 -0.00 0.00 0.00 177.93 178.54 3hqp h GLN 243 N 0.10 0.22 -0.58 5.26 3.07 -1.95 -0.28 115.11 120.94 3hqp h GLN 243 Ca 0.05 -0.08 0.01 0.00 0.09 0.00 0.00 58.65 58.72 3hqp h GLN 243 Cb 0.21 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.73 3hqp h GLN 243 CO -0.00 0.53 0.37 0.78 0.09 0.00 0.00 178.83 180.60 3hqp h GLY 244 N 1.09 0.82 1.02 0.06 0.00 -1.65 0.36 103.07 104.77 3hqp h GLY 244 Ca 0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 3hqp h GLY 244 CO 0.05 0.27 -0.20 -2.08 0.00 0.00 0.00 176.54 174.59 3hqp h VAL 245 N 0.76 1.28 -0.45 4.60 2.07 -1.23 -2.81 116.25 120.47 3hqp h VAL 245 Ca 0.22 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.43 3hqp h VAL 245 Cb -0.06 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3hqp h VAL 245 CO -0.06 0.45 0.26 -0.61 0.02 0.00 0.00 177.57 177.62 3hqp h GLN 246 N 0.63 0.51 -0.73 1.57 4.15 -0.74 -3.00 115.11 117.49 3hqp h GLN 246 Ca 0.09 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3hqp h GLN 246 Cb 0.75 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 3hqp h GLN 246 CO 0.06 0.34 0.11 0.09 -1.93 0.00 0.00 178.83 177.49 3hqp n ASN 247 N -4.84 4.58 -0.03 -0.69 3.02 0.12 -4.69 115.26 112.73 3hqp n ASN 247 Ca 0.02 -2.86 0.06 0.00 -0.03 0.00 0.00 54.58 51.77 3hqp n ASN 247 Cb 0.08 -0.68 0.44 0.00 -0.61 0.00 0.00 39.78 39.01 3hqp n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqp h ILE 248 N 2.72 1.04 -0.17 2.41 6.09 -1.35 -1.76 117.51 126.49 3hqp h ILE 248 Ca 0.11 -0.18 -0.03 0.00 -1.37 0.00 0.00 64.86 63.39 3hqp h ILE 248 Cb 1.87 0.47 -0.01 0.00 0.47 0.00 0.00 36.82 39.62 3hqp h ILE 248 CO 0.50 0.10 0.01 0.44 -3.07 0.00 0.00 178.15 176.12 3hqp h ASP 249 N 0.53 0.29 -0.28 2.19 3.32 -1.87 0.14 116.42 120.75 3hqp h ASP 249 Ca 0.19 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.80 3hqp h ASP 249 Cb 0.12 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hqp h ASP 249 CO -0.05 0.52 -0.34 0.77 -1.72 0.00 0.00 179.24 178.42 3hqp h SER 250 N 0.05 0.84 -0.24 6.45 4.64 -1.90 -2.25 113.55 121.14 3hqp h SER 250 Ca 0.05 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3hqp h SER 250 Cb 0.37 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3hqp h SER 250 CO 0.01 1.10 0.14 0.40 -0.87 0.00 0.00 176.83 177.61 3hqp h ILE 251 N 0.67 1.11 -0.49 0.95 2.04 -1.22 -2.01 117.51 118.57 3hqp h ILE 251 Ca 0.07 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3hqp h ILE 251 Cb 0.89 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3hqp h ILE 251 CO 0.08 0.11 0.24 0.40 0.00 0.00 0.00 178.15 178.98 3hqp h ILE 252 N 0.29 0.96 -0.98 -0.67 2.04 -0.67 -0.87 117.51 117.61 3hqp h ILE 252 Ca 0.09 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.82 3hqp h ILE 252 Cb 0.05 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 3hqp h ILE 252 CO -0.01 0.09 0.64 -0.08 0.00 0.00 0.00 178.15 178.78 3hqp h GLU 253 N 0.48 1.18 0.00 2.37 4.57 -1.14 -2.61 114.58 119.43 3hqp h GLU 253 Ca 0.21 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.15 3hqp h GLU 253 Cb 0.12 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3hqp h GLU 253 CO -0.15 0.78 -0.82 0.93 -1.18 0.00 0.00 179.01 178.56 3hqp h GLU 254 N 1.21 0.00 -7.13 1.92 4.39 -1.07 -3.47 114.58 110.43 3hqp h GLU 254 Ca 0.40 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.64 3hqp h GLU 254 Cb 0.04 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.75 3hqp h GLU 254 CO -0.13 0.79 0.14 -1.54 -1.16 0.00 0.00 179.01 177.11 3hqp s SER 255 N -6.59 5.10 0.00 1.42 1.04 -0.36 -4.97 113.70 109.33 3hqp s SER 255 Ca 0.02 0.38 0.23 0.00 0.48 0.00 0.00 55.95 57.06 3hqp s SER 255 Cb 0.09 -1.16 0.49 0.00 0.10 0.00 0.00 66.02 65.54 3hqp s SER 255 CO 0.79 -1.36 1.44 0.47 0.98 0.00 0.00 173.24 175.56 3hqp n ASP 256 N -2.69 3.45 0.00 7.02 9.92 -0.36 -4.93 116.55 128.96 3hqp n ASP 256 Ca 0.07 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.35 3hqp n ASP 256 Cb 0.60 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 3hqp n ASP 256 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hqp n GLY 257 N 1.52 2.11 3.02 0.44 0.00 -1.24 -4.15 105.19 106.90 3hqp n GLY 257 Ca 0.20 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 3hqp n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqp s ILE 258 N -1.98 0.65 -0.15 -0.61 -1.09 -0.60 -1.19 121.20 116.22 3hqp s ILE 258 Ca 0.00 -0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3hqp s ILE 258 Cb 0.00 -0.58 -0.01 0.00 -1.58 0.00 0.00 42.46 40.29 3hqp s ILE 258 CO 0.00 0.08 -0.10 -0.32 -1.23 0.00 0.00 174.94 173.37 3hqp s MET 259 N -0.48 3.43 -0.96 2.79 -2.45 0.19 -0.58 119.30 121.25 3hqp s MET 259 Ca 0.01 -0.64 -0.23 0.00 -1.25 0.00 0.00 55.69 53.58 3hqp s MET 259 Cb -0.04 -2.76 0.06 0.00 1.25 0.00 0.00 34.83 33.34 3hqp s MET 259 CO -0.00 0.13 1.36 0.08 1.05 0.00 0.00 175.02 177.63 3hqp s VAL 260 N 0.60 4.05 -1.23 10.11 1.01 0.15 -1.46 120.40 133.63 3hqp s VAL 260 Ca -0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 3hqp s VAL 260 Cb -0.15 -4.98 0.16 0.00 0.00 0.00 0.00 36.38 31.40 3hqp s VAL 260 CO 0.03 -1.84 1.53 0.00 0.00 0.00 0.00 175.10 174.82 3hqp n ALA 261 N 8.51 4.04 0.22 5.51 0.00 -1.11 -1.98 120.51 135.69 3hqp n ALA 261 Ca 0.27 -4.21 0.07 0.00 0.00 0.00 0.00 53.44 49.57 3hqp n ALA 261 Cb 0.50 -3.11 0.52 0.00 0.00 0.00 0.00 19.45 17.36 3hqp n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqp h ARG 262 N 7.00 0.00 0.00 0.00 3.08 -1.83 -2.31 114.38 120.32 3hqp h ARG 262 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3hqp h ARG 262 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3hqp h ARG 262 CO 1.32 0.22 0.00 0.41 -1.07 0.00 0.00 179.97 180.85 3hqp n GLY 263 N -0.76 -2.77 0.34 0.04 0.00 -1.26 0.57 105.19 101.35 3hqp n GLY 263 Ca -0.02 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 3hqp n GLY 263 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hqp h ASP 264 N 0.00 1.08 -0.76 1.61 3.32 -1.87 -3.07 116.42 116.72 3hqp h ASP 264 Ca 0.00 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 56.95 3hqp h ASP 264 Cb 0.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 3hqp h ASP 264 CO 0.00 0.93 0.46 0.25 -1.72 0.00 0.00 179.24 179.16 3hqp h LEU 265 N 1.15 0.73 0.00 1.55 6.46 -1.33 -0.34 115.31 123.53 3hqp h LEU 265 Ca 0.27 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 3hqp h LEU 265 Cb 0.16 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3hqp h LEU 265 CO -0.03 0.48 0.00 0.61 -0.62 0.00 0.00 178.44 178.88 3hqp n GLY 266 N -1.31 -0.57 0.05 3.75 0.00 0.19 -0.98 105.19 106.32 3hqp n GLY 266 Ca 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 3hqp n GLY 266 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hqp n VAL 267 N -1.03 0.60 -0.04 1.61 0.31 -0.68 -4.07 118.33 115.02 3hqp n VAL 267 Ca 0.12 -0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 64.01 3hqp n VAL 267 Cb 0.07 -0.84 -0.05 0.00 -0.91 0.00 0.00 33.84 32.11 3hqp n VAL 267 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3hqp h GLU 268 N 0.00 0.80 -6.21 5.55 4.57 -0.78 -3.44 114.58 115.07 3hqp h GLU 268 Ca -0.23 -0.59 -0.57 0.00 -1.18 0.00 0.00 59.36 56.79 3hqp h GLU 268 Cb 1.43 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 30.02 3hqp h GLU 268 CO -0.02 1.21 -0.67 0.96 -1.18 0.00 0.00 179.01 179.31 3hqp s ILE 269 N -3.89 3.24 0.25 2.32 -4.36 -0.16 -4.73 121.20 113.87 3hqp s ILE 269 Ca -0.10 -2.01 -0.31 0.00 -0.26 0.00 0.00 60.65 57.97 3hqp s ILE 269 Cb 0.09 -2.73 -0.14 0.00 1.25 0.00 0.00 42.46 40.94 3hqp s ILE 269 CO 0.90 -0.38 1.28 -2.65 0.24 0.00 0.00 174.94 174.32 3hqp n PRO 270 N -0.82 1.75 -0.24 0.37 -0.02 -1.26 -4.46 135.00 130.31 3hqp n PRO 270 Ca -0.06 0.62 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 3hqp n PRO 270 Cb 0.59 -2.19 0.43 0.00 -0.02 0.00 0.00 33.50 32.32 3hqp n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp h ALA 271 N 3.45 1.96 0.00 3.55 0.00 -1.90 -0.53 119.26 125.79 3hqp h ALA 271 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hqp h ALA 271 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hqp h ALA 271 CO 0.70 -0.21 0.00 1.05 0.00 0.00 0.00 179.25 180.79 3hqp h GLU 272 N 0.58 0.00 0.00 0.00 9.09 -1.93 -2.78 114.58 119.54 3hqp h GLU 272 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3hqp h GLU 272 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 3hqp h GLU 272 CO -0.19 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.50 3hqp n LYS 273 N -2.69 0.16 -0.11 1.06 4.76 -0.21 -3.51 118.16 117.63 3hqp n LYS 273 Ca 0.03 0.20 -0.05 0.00 -2.87 0.00 0.00 58.31 55.62 3hqp n LYS 273 Cb 0.37 -1.72 0.15 0.00 -1.84 0.00 0.00 35.03 31.99 3hqp n LYS 273 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hqp h VAL 274 N 0.00 1.25 -0.47 -0.18 2.07 -1.56 -0.66 116.25 116.69 3hqp h VAL 274 Ca 0.00 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3hqp h VAL 274 Cb 0.57 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3hqp h VAL 274 CO 0.00 0.37 0.20 0.58 0.02 0.00 0.00 177.57 178.73 3hqp h VAL 275 N 0.73 0.89 -0.04 2.57 2.07 -1.75 0.38 116.25 121.10 3hqp h VAL 275 Ca 0.14 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 3hqp h VAL 275 Cb 0.49 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3hqp h VAL 275 CO 0.02 0.07 -0.52 0.58 0.02 0.00 0.00 177.57 177.74 3hqp h VAL 276 N 0.39 1.41 -0.65 2.57 2.07 -1.70 -2.74 116.25 117.60 3hqp h VAL 276 Ca 0.22 -1.95 0.12 0.00 0.82 0.00 0.00 66.70 65.91 3hqp h VAL 276 Cb 0.19 2.45 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 3hqp h VAL 276 CO -0.20 0.57 0.17 0.00 0.02 0.00 0.00 177.57 178.13 3hqp h ALA 277 N 0.38 0.81 -0.83 1.67 0.00 -0.92 -1.02 119.26 119.35 3hqp h ALA 277 Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hqp h ALA 277 Cb 1.21 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 3hqp h ALA 277 CO 0.11 -0.28 0.52 0.37 0.00 0.00 0.00 179.25 179.97 3hqp h GLN 278 N 0.30 0.97 -0.44 0.00 4.15 -0.21 -1.04 115.11 118.84 3hqp h GLN 278 Ca 0.35 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.64 3hqp h GLN 278 Cb 0.52 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3hqp h GLN 278 CO -0.41 0.64 0.02 0.87 -1.93 0.00 0.00 178.83 178.02 3hqp h LYS 279 N 1.00 0.77 -0.19 1.69 1.57 -1.00 -2.49 116.57 117.93 3hqp h LYS 279 Ca 0.34 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3hqp h LYS 279 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hqp h LYS 279 CO -0.13 0.83 -0.08 0.82 -0.57 0.00 0.00 179.45 180.32 3hqp h ILE 280 N 0.62 1.30 -0.53 1.86 2.04 -0.96 -2.35 117.51 119.50 3hqp h ILE 280 Ca 0.13 -1.12 -0.12 0.00 1.00 0.00 0.00 64.86 64.75 3hqp h ILE 280 Cb 0.47 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 3hqp h ILE 280 CO 0.02 0.34 -0.15 -0.07 0.00 0.00 0.00 178.15 178.29 3hqp h LEU 281 N 0.10 1.05 -0.13 1.44 3.38 -1.20 -1.20 115.31 118.74 3hqp h LEU 281 Ca 0.04 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3hqp h LEU 281 Cb 0.56 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hqp h LEU 281 CO 0.03 1.17 -0.09 0.40 0.09 0.00 0.00 178.44 180.04 3hqp h ILE 282 N 0.91 1.33 -0.56 1.22 2.04 -1.49 -2.07 117.51 118.88 3hqp h ILE 282 Ca 0.13 -1.19 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 3hqp h ILE 282 Cb 0.73 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3hqp h ILE 282 CO 0.06 0.34 0.07 0.28 0.00 0.00 0.00 178.15 178.90 3hqp h SER 283 N -0.07 0.91 -0.81 1.72 0.02 -1.41 -0.46 113.55 113.46 3hqp h SER 283 Ca 0.03 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3hqp h SER 283 Cb 0.59 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3hqp h SER 283 CO 0.03 0.95 0.49 0.11 -1.14 0.00 0.00 176.83 177.27 3hqp h LYS 284 N 0.83 1.10 -0.42 3.45 1.57 -1.24 -1.30 116.57 120.56 3hqp h LYS 284 Ca 0.17 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3hqp h LYS 284 Cb 0.44 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hqp h LYS 284 CO 0.01 0.77 0.03 0.00 -0.57 0.00 0.00 179.45 179.70 3hqp h ASN 286 N 0.56 -0.25 0.10 0.00 -0.26 -0.76 0.26 115.58 115.23 3hqp h ASN 286 Ca 0.12 0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.89 3hqp h ASN 286 Cb 0.43 0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 3hqp h ASN 286 CO 0.01 -0.09 -0.33 0.58 -1.06 0.00 0.00 177.43 176.55 3hqp h VAL 287 N 0.10 1.28 0.00 2.81 2.07 -1.18 -2.73 116.25 118.60 3hqp h VAL 287 Ca 0.25 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3hqp h VAL 287 Cb 0.38 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3hqp h VAL 287 CO -0.43 0.42 -0.21 0.00 0.02 0.00 0.00 177.57 177.36 3hqp h ALA 288 N 1.37 0.87 -1.29 1.67 0.00 -0.76 -3.48 119.26 117.64 3hqp h ALA 288 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3hqp h ALA 288 Cb 0.72 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3hqp h ALA 288 CO 0.06 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.59 3hqp n GLY 289 N 1.26 0.43 3.42 0.00 0.00 0.82 -5.06 105.19 106.05 3hqp n GLY 289 Ca 0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 3hqp n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqp s LYS 290 N -4.74 1.91 0.37 1.61 1.02 -0.69 -4.80 119.74 114.42 3hqp s LYS 290 Ca 0.06 -1.07 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 3hqp s LYS 290 Cb -0.03 -2.09 -0.11 0.00 -0.52 0.00 0.00 37.83 35.08 3hqp s LYS 290 CO 0.07 0.52 1.44 -1.25 -0.92 0.00 0.00 175.35 175.21 3hqp s PRO 291 N -1.47 4.16 -0.02 -1.68 0.04 -1.26 -4.35 135.00 130.43 3hqp s PRO 291 Ca 0.14 2.48 0.02 0.00 0.04 0.00 0.00 61.00 63.68 3hqp s PRO 291 Cb -0.10 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.45 3hqp s PRO 291 CO 0.05 -0.45 -0.08 0.54 0.04 0.00 0.00 177.00 177.10 3hqp s VAL 292 N -1.13 0.66 -0.07 -0.36 0.11 -1.26 -1.56 120.40 116.78 3hqp s VAL 292 Ca 0.52 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 3hqp s VAL 292 Cb -0.45 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3hqp s VAL 292 CO 0.60 0.21 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.75 3hqp s ILE 293 N 0.15 2.48 -0.25 7.04 1.01 0.26 -1.63 121.20 130.27 3hqp s ILE 293 Ca -0.02 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 3hqp s ILE 293 Cb -0.07 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 3hqp s ILE 293 CO 0.00 0.56 0.15 0.00 0.00 0.00 0.00 174.94 175.65 3hqp s ALA 295 N 1.28 1.86 0.00 0.00 0.00 -0.84 -2.09 121.76 121.97 3hqp s ALA 295 Ca 0.07 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.47 3hqp s ALA 295 Cb -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3hqp s ALA 295 CO 0.06 0.08 0.00 2.41 0.00 0.00 0.00 175.76 178.31 3hqp n THR 296 N -0.10 -1.78 -1.74 0.00 -1.04 -1.26 -3.59 114.28 104.77 3hqp n THR 296 Ca -0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.78 3hqp n THR 296 Cb 0.59 -2.19 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 3hqp n THR 296 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hqp n GLN 297 N 0.33 -0.92 -0.21 -2.82 6.02 -1.26 -4.74 117.38 113.79 3hqp n GLN 297 Ca 0.00 0.79 -0.09 0.00 -0.01 0.00 0.00 57.00 57.69 3hqp n GLN 297 Cb 0.00 -4.89 0.02 0.00 1.02 0.00 0.00 30.24 26.39 3hqp n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqp h MET 298 N 0.00 1.02 -0.36 -1.09 2.86 -1.88 -3.29 114.93 112.19 3hqp h MET 298 Ca -0.27 -0.31 -0.27 0.00 -2.06 0.00 0.00 59.70 56.78 3hqp h MET 298 Cb 0.99 -0.10 -0.33 0.00 0.06 0.00 0.00 31.60 32.22 3hqp h MET 298 CO 0.36 0.99 -0.89 1.28 1.06 0.00 0.00 176.91 179.71 3hqp n LEU 299 N -4.24 2.70 -0.35 1.22 4.77 -1.26 -4.54 117.00 115.31 3hqp n LEU 299 Ca 0.03 -3.52 0.05 0.00 -0.03 0.00 0.00 56.01 52.54 3hqp n LEU 299 Cb 0.32 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3hqp n LEU 299 CO 0.43 1.33 0.63 1.21 -1.33 0.00 0.00 177.39 179.66 3hqp n GLU 300 N -0.52 -0.10 0.24 3.23 4.07 -1.24 -0.80 120.64 125.52 3hqp n GLU 300 Ca 0.20 1.49 0.16 0.00 -0.06 0.00 0.00 57.16 58.96 3hqp n GLU 300 Cb 0.90 -2.23 0.75 0.00 -0.06 0.00 0.00 31.44 30.80 3hqp n GLU 300 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3hqp h SER 301 N 0.00 0.00 0.00 4.31 4.64 -1.93 -1.53 113.55 119.04 3hqp h SER 301 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3hqp h SER 301 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3hqp h SER 301 CO -0.98 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.21 3hqp n MET 302 N -2.76 0.80 -0.23 4.77 2.81 0.02 -1.21 117.12 121.32 3hqp n MET 302 Ca -0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 3hqp n MET 302 Cb 0.19 -1.49 0.24 0.00 -0.71 0.00 0.00 33.22 31.45 3hqp n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hqp h THR 303 N 0.00 1.18 0.00 2.03 2.02 -1.42 -3.37 112.91 113.35 3hqp h THR 303 Ca 0.00 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 3hqp h THR 303 Cb 0.00 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 3hqp h THR 303 CO 0.00 0.19 -1.27 -1.22 0.37 0.00 0.00 175.52 173.58 3hqp n TYR 304 N -4.43 0.00 -4.79 3.16 4.02 -0.82 -0.57 117.16 113.74 3hqp n TYR 304 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.67 3hqp n TYR 304 Cb 0.05 -0.17 -0.13 0.00 -0.02 0.00 0.00 39.34 39.07 3hqp n TYR 304 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3hqp s ASN 305 N -3.11 3.82 0.00 7.72 0.02 -0.35 -4.95 114.94 118.09 3hqp s ASN 305 Ca -0.02 -0.35 0.13 0.00 -1.02 0.00 0.00 52.86 51.60 3hqp s ASN 305 Cb 0.02 -0.67 0.59 0.00 0.02 0.00 0.00 41.25 41.21 3hqp s ASN 305 CO 0.20 0.29 1.41 -0.81 0.02 0.00 0.00 177.10 178.21 3hqp n PRO 306 N 1.86 0.04 -3.85 -0.60 -0.04 -1.26 -4.13 135.00 127.01 3hqp n PRO 306 Ca -0.16 0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 3hqp n PRO 306 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 3hqp n PRO 306 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3hqp s ARG 307 N -2.92 0.73 0.85 0.54 1.70 -1.26 -4.88 118.95 113.72 3hqp s ARG 307 Ca 0.08 -0.73 -0.10 0.00 -0.47 0.00 0.00 55.73 54.50 3hqp s ARG 307 Cb 0.09 0.30 0.16 0.00 -0.57 0.00 0.00 34.95 34.93 3hqp s ARG 307 CO 0.23 -0.22 1.18 -1.25 -1.08 0.00 0.00 175.30 174.17 3hqp s PRO 308 N -2.94 1.16 0.60 3.89 0.04 -1.26 -4.68 135.00 131.81 3hqp s PRO 308 Ca -0.02 -0.61 -0.04 0.00 0.04 0.00 0.00 61.00 60.37 3hqp s PRO 308 Cb 0.01 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.54 3hqp s PRO 308 CO -0.06 -1.97 0.88 0.95 0.04 0.00 0.00 177.00 176.84 3hqp s THR 309 N -3.58 3.01 0.22 1.26 -4.23 -1.26 -4.97 115.64 106.08 3hqp s THR 309 Ca 0.70 -0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 60.81 3hqp s THR 309 Cb -0.05 -3.20 0.17 0.00 1.34 0.00 0.00 72.50 70.76 3hqp s THR 309 CO 0.49 -0.18 1.81 0.03 -0.54 0.00 0.00 174.62 176.23 3hqp h ARG 310 N -0.18 1.18 0.00 3.99 2.47 -2.00 -2.47 114.38 117.37 3hqp h ARG 310 Ca -0.44 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.06 3hqp h ARG 310 Cb 1.29 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 3hqp h ARG 310 CO 0.58 0.90 -0.22 0.00 0.56 0.00 0.00 179.97 181.79 3hqp h ALA 311 N 1.21 1.54 0.02 0.04 0.00 -1.98 -1.76 119.26 118.33 3hqp h ALA 311 Ca 0.28 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 3hqp h ALA 311 Cb 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hqp h ALA 311 CO -0.04 0.28 -1.08 0.93 0.00 0.00 0.00 179.25 179.34 3hqp h GLU 312 N 0.00 0.68 -0.19 0.00 5.08 -1.69 -0.56 114.58 117.90 3hqp h GLU 312 Ca -0.00 -0.76 -0.00 0.00 -1.00 0.00 0.00 59.36 57.59 3hqp h GLU 312 Cb 0.41 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3hqp h GLU 312 CO 0.03 1.33 0.11 0.28 -1.00 0.00 0.00 179.01 179.76 3hqp h VAL 313 N 0.37 1.08 -0.28 3.13 2.07 -1.31 -2.64 116.25 118.67 3hqp h VAL 313 Ca -0.14 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3hqp h VAL 313 Cb 1.73 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 3hqp h VAL 313 CO 0.21 0.08 -0.13 -1.28 0.02 0.00 0.00 177.57 176.47 3hqp h SER 314 N 0.23 -0.44 -0.68 0.57 0.87 -1.33 -2.24 113.55 110.53 3hqp h SER 314 Ca 0.07 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3hqp h SER 314 Cb 0.03 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 3hqp h SER 314 CO -0.01 -0.16 0.41 -0.78 -0.53 0.00 0.00 176.83 175.75 3hqp h ASP 315 N -0.09 0.66 0.14 6.23 3.58 -0.97 0.31 116.42 126.29 3hqp h ASP 315 Ca 0.15 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 3hqp h ASP 315 Cb 0.31 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.23 3hqp h ASP 315 CO -0.34 0.45 -0.07 0.58 -2.88 0.00 0.00 179.24 176.98 3hqp h VAL 316 N 0.80 0.98 -0.57 2.25 2.07 -1.31 -1.92 116.25 118.55 3hqp h VAL 316 Ca 0.28 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3hqp h VAL 316 Cb 0.06 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3hqp h VAL 316 CO -0.12 0.13 0.34 0.00 0.02 0.00 0.00 177.57 177.94 3hqp h ALA 317 N 0.34 0.74 0.00 1.67 0.00 -1.23 -2.49 119.26 118.30 3hqp h ALA 317 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hqp h ALA 317 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hqp h ALA 317 CO 0.03 0.05 -0.21 -0.91 0.00 0.00 0.00 179.25 178.21 3hqp h ASN 318 N 0.66 0.00 -0.28 0.00 2.35 -0.92 -1.83 115.58 115.56 3hqp h ASN 318 Ca 0.24 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3hqp h ASN 318 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3hqp h ASN 318 CO -0.11 0.21 0.11 0.00 -1.65 0.00 0.00 177.43 175.99 3hqp h ALA 319 N 1.79 0.37 0.06 -0.83 0.00 -0.88 -0.52 119.26 119.24 3hqp h ALA 319 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hqp h ALA 319 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hqp h ALA 319 CO 0.03 -0.03 -0.15 0.28 0.00 0.00 0.00 179.25 179.38 3hqp h VAL 320 N 0.30 0.64 -0.52 0.00 2.07 -1.30 -2.43 116.25 115.01 3hqp h VAL 320 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 3hqp h VAL 320 Cb 0.19 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3hqp h VAL 320 CO -0.01 0.00 0.36 -0.26 0.02 0.00 0.00 177.57 177.68 3hqp h PHE 321 N -0.29 0.32 -0.05 1.57 0.04 -1.25 -0.74 116.94 116.55 3hqp h PHE 321 Ca 0.03 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 3hqp h PHE 321 Cb 0.32 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3hqp h PHE 321 CO -0.18 0.16 -0.28 -0.91 -0.60 0.00 0.00 178.31 176.50 3hqp h ASN 322 N 0.31 0.08 0.00 2.17 -0.26 -0.63 -3.47 115.58 113.78 3hqp h ASN 322 Ca 0.24 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3hqp h ASN 322 Cb 0.55 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 3hqp h ASN 322 CO -0.05 0.36 0.00 0.61 -1.06 0.00 0.00 177.43 177.29 3hqp n GLY 323 N -0.65 1.67 3.75 2.83 0.00 -0.28 -4.54 105.19 107.97 3hqp n GLY 323 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3hqp n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp s ALA 324 N -2.00 3.69 -0.00 4.61 0.00 -0.97 -4.89 121.76 122.20 3hqp s ALA 324 Ca 0.00 1.47 -0.23 0.00 0.00 0.00 0.00 51.96 53.19 3hqp s ALA 324 Cb 0.00 -3.61 -0.18 0.00 0.00 0.00 0.00 23.12 19.33 3hqp s ALA 324 CO 0.00 -0.88 1.27 -0.44 0.00 0.00 0.00 175.76 175.71 3hqp h ASP 325 N 4.83 0.18 -4.36 0.00 5.19 -1.63 -3.44 116.42 117.19 3hqp h ASP 325 Ca -0.47 -0.52 -0.47 0.00 -0.62 0.00 0.00 57.03 54.95 3hqp h ASP 325 Cb 1.22 -0.05 -0.22 0.00 0.18 0.00 0.00 39.33 40.46 3hqp h ASP 325 CO 0.78 0.67 -0.80 0.00 -3.12 0.00 0.00 179.24 176.77 3hqp s VAL 327 N -1.19 3.00 0.08 0.00 -7.23 -0.28 -1.73 120.40 113.05 3hqp s VAL 327 Ca 0.01 -1.22 0.09 0.00 -1.81 0.00 0.00 61.98 59.06 3hqp s VAL 327 Cb -0.10 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 3hqp s VAL 327 CO 0.03 0.26 -0.23 -0.32 -0.31 0.00 0.00 175.10 174.52 3hqp s MET 328 N -1.72 1.75 -0.05 4.82 1.75 -0.89 -1.33 119.30 123.64 3hqp s MET 328 Ca 0.17 -1.16 0.04 0.00 -1.25 0.00 0.00 55.69 53.49 3hqp s MET 328 Cb -0.11 -2.03 -0.02 0.00 2.84 0.00 0.00 34.83 35.50 3hqp s MET 328 CO 0.08 0.49 -0.17 -0.51 -0.65 0.00 0.00 175.02 174.27 3hqp s LEU 329 N -1.70 2.59 0.00 4.11 1.43 0.16 -4.41 118.68 120.85 3hqp s LEU 329 Ca 0.14 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3hqp s LEU 329 Cb -0.10 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3hqp s LEU 329 CO 0.06 0.34 0.00 -1.20 0.23 0.00 0.00 176.35 175.77 3hqp n SER 330 N 2.36 0.00 0.21 2.29 7.64 -1.26 -1.98 113.62 122.89 3hqp n SER 330 Ca -0.17 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.77 3hqp n SER 330 Cb 0.52 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 64.20 3hqp n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hqp h GLY 331 N 0.00 0.00 0.43 0.23 0.00 -1.97 -0.93 103.07 100.83 3hqp h GLY 331 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 3hqp h GLY 331 CO 0.00 0.00 0.59 0.83 0.00 0.00 0.00 176.54 177.96 3hqp h GLU 332 N 0.00 0.67 0.00 4.80 3.07 -1.89 -0.92 114.58 120.30 3hqp h GLU 332 Ca -0.00 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.55 3hqp h GLU 332 Cb 0.54 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 3hqp h GLU 332 CO 0.04 0.44 -1.99 0.25 -1.40 0.00 0.00 179.01 176.34 3hqp n THR 333 N -4.59 1.00 -0.09 1.13 -2.24 -1.10 -3.50 114.28 104.89 3hqp n THR 333 Ca 0.19 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3hqp n THR 333 Cb 0.51 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 3hqp n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqp h ALA 334 N 0.50 0.36 0.00 6.98 0.00 -0.87 -3.34 119.26 122.89 3hqp h ALA 334 Ca -0.39 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3hqp h ALA 334 Cb 1.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3hqp h ALA 334 CO -0.00 0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.76 3hqp n LYS 335 N -4.55 1.31 -2.26 0.00 2.85 -0.46 -2.01 118.16 113.04 3hqp n LYS 335 Ca -0.03 -0.93 -0.27 0.00 -1.05 0.00 0.00 58.31 56.03 3hqp n LYS 335 Cb 0.29 -0.73 0.05 0.00 -0.65 0.00 0.00 35.03 33.99 3hqp n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqp s GLY 336 N -0.44 1.65 0.03 2.58 0.00 -0.54 -4.87 107.32 105.72 3hqp s GLY 336 Ca 0.00 -0.77 0.24 0.00 0.00 0.00 0.00 44.72 44.18 3hqp s GLY 336 CO 0.00 -0.42 1.20 0.28 0.00 0.00 0.00 173.10 174.15 3hqp n LYS 337 N -2.79 0.13 -2.94 2.90 5.02 0.26 -4.50 118.16 116.25 3hqp n LYS 337 Ca 0.06 0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 3hqp n LYS 337 Cb 0.59 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 3hqp n LYS 337 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hqp n TYR 338 N -1.73 1.15 -0.31 2.13 4.01 -1.26 -4.98 117.16 116.18 3hqp n TYR 338 Ca 0.04 -3.47 -0.04 0.00 -0.16 0.00 0.00 57.90 54.27 3hqp n TYR 338 Cb 0.38 -0.39 0.08 0.00 -0.31 0.00 0.00 39.34 39.10 3hqp n TYR 338 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hqp h PRO 339 N 2.97 1.15 -0.37 -0.72 0.13 -1.79 -1.11 132.00 132.26 3hqp h PRO 339 Ca 0.05 -0.12 -0.14 0.00 -0.87 0.00 0.00 66.00 64.92 3hqp h PRO 339 Cb 0.98 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3hqp h PRO 339 CO 0.56 0.83 -0.33 -0.91 -0.23 0.00 0.00 178.00 177.91 3hqp h ASN 340 N 1.15 0.93 -0.57 1.44 2.35 -1.93 -2.94 115.58 116.01 3hqp h ASN 340 Ca 0.30 -0.46 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 3hqp h ASN 340 Cb -0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3hqp h ASN 340 CO -0.05 1.20 0.07 -0.33 -1.65 0.00 0.00 177.43 176.66 3hqp h GLU 341 N 0.68 0.96 -0.58 0.81 3.07 -1.88 -0.49 114.58 117.15 3hqp h GLU 341 Ca 0.06 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.63 3hqp h GLU 341 Cb 0.92 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 3hqp h GLU 341 CO 0.08 0.93 0.28 -0.24 -1.40 0.00 0.00 179.01 178.66 3hqp h VAL 342 N 0.85 1.21 -0.44 3.13 3.04 -1.21 0.15 116.25 122.98 3hqp h VAL 342 Ca 0.17 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 65.25 3hqp h VAL 342 Cb 0.45 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.24 3hqp h VAL 342 CO 0.02 0.23 0.14 0.58 -1.01 0.00 0.00 177.57 177.53 3hqp h VAL 343 N 0.78 1.22 -0.74 1.51 2.07 -1.37 -0.53 116.25 119.19 3hqp h VAL 343 Ca 0.20 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3hqp h VAL 343 Cb 0.11 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3hqp h VAL 343 CO -0.03 0.26 0.48 1.56 0.02 0.00 0.00 177.57 179.87 3hqp h GLN 344 N 0.57 0.94 -0.32 1.57 4.20 -0.72 0.09 115.11 121.44 3hqp h GLN 344 Ca 0.14 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3hqp h GLN 344 Cb 0.26 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3hqp h GLN 344 CO -0.00 0.62 0.03 1.88 -0.67 0.00 0.00 178.83 180.68 3hqp h TYR 345 N 0.97 0.58 -0.63 2.96 0.05 -0.57 -1.62 116.97 118.70 3hqp h TYR 345 Ca 0.29 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 59.01 3hqp h TYR 345 Cb -0.05 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 3hqp h TYR 345 CO -0.03 0.64 0.38 1.98 -1.05 0.00 0.00 178.16 180.08 3hqp h MET 346 N 0.35 0.71 -0.54 4.88 4.05 -0.75 -0.36 114.93 123.28 3hqp h MET 346 Ca 0.09 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 3hqp h MET 346 Cb 0.40 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3hqp h MET 346 CO 0.01 0.47 0.12 0.00 0.23 0.00 0.00 176.91 177.74 3hqp h ALA 347 N 1.29 0.72 -0.30 0.39 0.00 -0.93 -1.56 119.26 118.87 3hqp h ALA 347 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hqp h ALA 347 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hqp h ALA 347 CO -0.12 0.43 0.19 -0.09 0.00 0.00 0.00 179.25 179.66 3hqp h ARG 348 N 0.77 0.40 -0.80 0.00 2.43 -0.90 -1.78 114.38 114.49 3hqp h ARG 348 Ca 0.17 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3hqp h ARG 348 Cb 0.37 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3hqp h ARG 348 CO 0.01 0.28 0.34 0.82 -1.51 0.00 0.00 179.97 179.90 3hqp h ILE 349 N 0.40 1.26 -0.41 1.20 2.04 -0.99 -2.29 117.51 118.71 3hqp h ILE 349 Ca 0.11 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3hqp h ILE 349 Cb -0.03 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3hqp h ILE 349 CO -0.02 0.33 0.18 0.00 0.00 0.00 0.00 178.15 178.64 3hqp h LEU 351 N 0.52 0.71 -0.02 0.00 3.38 -1.19 -1.05 115.31 117.66 3hqp h LEU 351 Ca 0.14 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hqp h LEU 351 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hqp h LEU 351 CO -0.02 0.41 -0.12 -0.08 0.09 0.00 0.00 178.44 178.72 3hqp h GLU 352 N 0.78 0.12 -0.93 1.13 4.57 -0.99 -2.97 114.58 116.29 3hqp h GLU 352 Ca 0.40 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.52 3hqp h GLU 352 Cb 0.50 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 3hqp h GLU 352 CO -0.17 0.77 0.61 0.00 -1.18 0.00 0.00 179.01 179.03 3hqp h ALA 353 N 0.35 1.22 -0.85 2.92 0.00 -1.10 -2.65 119.26 119.16 3hqp h ALA 353 Ca -0.01 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3hqp h ALA 353 Cb 0.79 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3hqp h ALA 353 CO 0.02 0.49 0.50 0.37 0.00 0.00 0.00 179.25 180.64 3hqp h GLN 354 N 1.19 0.85 -0.50 0.00 4.15 -1.17 -0.15 115.11 119.47 3hqp h GLN 354 Ca 0.37 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.85 3hqp h GLN 354 Cb -0.02 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 3hqp h GLN 354 CO -0.11 0.56 0.35 0.77 -1.93 0.00 0.00 178.83 178.47 3hqp h SER 355 N 0.87 0.13 0.34 -0.69 0.02 -1.30 -2.50 113.55 110.42 3hqp h SER 355 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3hqp h SER 355 Cb 0.29 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3hqp h SER 355 CO -0.22 0.08 -1.24 0.00 -1.14 0.00 0.00 176.83 174.31 3hqp n ALA 356 N -2.59 3.35 -2.06 3.77 0.00 -0.23 -4.92 120.51 117.84 3hqp n ALA 356 Ca 0.09 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3hqp n ALA 356 Cb 0.48 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3hqp n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hqp s LEU 357 N -4.08 4.36 -1.07 0.00 2.96 -0.28 -4.94 118.68 115.62 3hqp s LEU 357 Ca 0.01 2.41 -0.16 0.00 -0.22 0.00 0.00 54.13 56.18 3hqp s LEU 357 Cb 0.14 -3.58 0.16 0.00 0.50 0.00 0.00 46.19 43.41 3hqp s LEU 357 CO 0.83 -0.76 1.25 0.21 -1.32 0.00 0.00 176.35 176.56 3hqp s ASN 358 N 1.52 6.89 0.31 3.68 3.84 -1.26 -4.87 114.94 125.04 3hqp s ASN 358 Ca 0.68 -2.63 -0.01 0.00 0.21 0.00 0.00 52.86 51.12 3hqp s ASN 358 Cb -0.39 -2.38 0.47 0.00 -0.55 0.00 0.00 41.25 38.41 3hqp s ASN 358 CO 0.30 -0.84 1.95 -0.33 -2.79 0.00 0.00 177.10 175.39 3hqp h GLU 359 N 7.85 0.98 -0.77 0.43 3.07 -1.92 -2.14 114.58 122.09 3hqp h GLU 359 Ca 0.23 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3hqp h GLU 359 Cb 0.94 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.61 3hqp h GLU 359 CO 1.15 0.69 0.39 -0.92 -1.40 0.00 0.00 179.01 178.92 3hqp h TYR 360 N 1.00 1.08 -0.11 4.33 3.20 -1.90 0.22 116.97 124.79 3hqp h TYR 360 Ca 0.26 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3hqp h TYR 360 Cb -0.04 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 3hqp h TYR 360 CO 0.00 0.78 -0.02 0.28 -1.64 0.00 0.00 178.16 177.56 3hqp h VAL 361 N 1.07 1.29 -0.48 1.81 2.07 -1.89 -1.71 116.25 118.41 3hqp h VAL 361 Ca 0.27 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.93 3hqp h VAL 361 Cb 0.09 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 3hqp h VAL 361 CO -0.04 0.27 -0.34 0.15 0.02 0.00 0.00 177.57 177.64 3hqp h PHE 362 N -0.10 -0.93 -0.25 1.57 -0.00 -1.15 0.29 116.94 116.36 3hqp h PHE 362 Ca 0.03 0.06 0.06 0.00 -0.00 0.00 0.00 57.97 58.13 3hqp h PHE 362 Cb 0.43 0.48 -0.07 0.00 -0.00 0.00 0.00 35.95 36.79 3hqp h PHE 362 CO 0.05 -0.38 -0.23 0.35 -0.00 0.00 0.00 178.31 178.10 3hqp h PHE 363 N -0.22 -0.60 -0.41 0.41 3.57 -0.48 -1.61 116.94 117.60 3hqp h PHE 363 Ca 0.19 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 3hqp h PHE 363 Cb 0.54 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3hqp h PHE 363 CO -0.58 -0.31 -0.10 -0.91 -2.23 0.00 0.00 178.31 174.18 3hqp h ASN 364 N -0.23 0.71 -0.44 0.41 2.35 -0.85 -2.34 115.58 115.19 3hqp h ASN 364 Ca 0.14 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3hqp h ASN 364 Cb 0.44 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3hqp h ASN 364 CO -0.39 0.84 0.20 0.28 -1.65 0.00 0.00 177.43 176.71 3hqp h SER 365 N 0.66 0.59 0.11 5.81 0.02 -0.03 -1.95 113.55 118.76 3hqp h SER 365 Ca 0.12 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3hqp h SER 365 Cb 0.55 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3hqp h SER 365 CO 0.03 0.58 -0.05 0.40 -1.14 0.00 0.00 176.83 176.65 3hqp h ILE 366 N 0.57 1.02 -0.64 3.27 2.04 -1.26 -3.08 117.51 119.43 3hqp h ILE 366 Ca 0.15 -0.49 0.13 0.00 1.00 0.00 0.00 64.86 65.66 3hqp h ILE 366 Cb 0.15 1.33 -0.11 0.00 -0.74 0.00 0.00 36.82 37.45 3hqp h ILE 366 CO -0.02 0.12 -0.04 0.50 0.00 0.00 0.00 178.15 178.71 3hqp h LYS 367 N -0.37 0.08 0.00 2.37 3.64 -1.37 0.46 116.57 121.38 3hqp h LYS 367 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hqp h LYS 367 Cb 0.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3hqp h LYS 367 CO 0.02 0.05 0.04 0.87 -2.27 0.00 0.00 179.45 178.16 3hqp h LYS 368 N 0.08 0.00 -0.01 1.90 6.56 -1.27 -2.64 116.57 121.18 3hqp h LYS 368 Ca 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 3hqp h LYS 368 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 3hqp h LYS 368 CO -0.58 0.00 -0.43 1.28 -2.06 0.00 0.00 179.45 177.66 3hqp n LEU 369 N -2.99 1.81 -4.80 2.94 4.77 0.14 -4.95 117.00 113.92 3hqp n LEU 369 Ca -0.03 -0.75 -0.35 0.00 -0.03 0.00 0.00 56.01 54.85 3hqp n LEU 369 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3hqp n LEU 369 CO 0.18 0.34 0.68 -1.10 -1.33 0.00 0.00 177.39 176.17 3hqp s GLN 370 N -2.23 4.22 0.15 3.23 -1.52 -1.00 -5.01 119.66 117.51 3hqp s GLN 370 Ca 0.16 1.31 -0.30 0.00 -1.95 0.00 0.00 55.36 54.58 3hqp s GLN 370 Cb 0.16 -2.40 -0.07 0.00 -0.22 0.00 0.00 33.01 30.47 3hqp s GLN 370 CO 0.50 -0.05 1.14 -1.58 -0.25 0.00 0.00 175.29 175.05 3hqp s HIS 371 N -1.88 3.52 -0.14 0.91 2.46 -1.26 -5.02 115.29 113.88 3hqp s HIS 371 Ca 0.59 1.50 -0.04 0.00 0.47 0.00 0.00 55.06 57.58 3hqp s HIS 371 Cb -0.16 -3.34 -0.03 0.00 -0.13 0.00 0.00 32.58 28.92 3hqp s HIS 371 CO 0.20 -0.86 0.01 0.42 -2.47 0.00 0.00 174.74 172.04 3hqp s ILE 372 N 0.12 4.34 0.45 0.89 1.01 -1.26 -3.30 121.20 123.45 3hqp s ILE 372 Ca 0.52 -0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.75 3hqp s ILE 372 Cb -0.30 -2.89 -0.09 0.00 0.01 0.00 0.00 42.46 39.19 3hqp s ILE 372 CO 0.34 0.52 1.03 -2.16 0.00 0.00 0.00 174.94 174.67 3hqp s PRO 373 N -0.09 3.98 0.60 2.79 0.04 -1.26 -5.18 135.00 135.88 3hqp s PRO 373 Ca 0.04 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 3hqp s PRO 373 Cb -0.13 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3hqp s PRO 373 CO 0.02 -0.28 1.00 -1.64 0.04 0.00 0.00 177.00 176.14 3hqp s MET 374 N -3.00 3.62 0.78 4.56 -1.94 -1.21 -5.07 119.30 117.05 3hqp s MET 374 Ca 0.64 0.72 -0.11 0.00 -1.71 0.00 0.00 55.69 55.23 3hqp s MET 374 Cb -0.17 -2.11 0.06 0.00 2.01 0.00 0.00 34.83 34.62 3hqp s MET 374 CO 0.21 -0.51 1.09 -1.54 -0.01 0.00 0.00 175.02 174.26 3hqp s SER 375 N -4.07 4.40 0.12 3.03 1.04 -1.26 -4.86 113.70 112.09 3hqp s SER 375 Ca 0.55 1.80 -0.22 0.00 0.48 0.00 0.00 55.95 58.56 3hqp s SER 375 Cb -0.11 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 3hqp s SER 375 CO 0.51 -2.10 1.69 0.00 0.98 0.00 0.00 173.24 174.32 3hqp h ALA 376 N -1.17 -0.04 -0.58 5.32 0.00 -1.97 -1.78 119.26 119.02 3hqp h ALA 376 Ca -0.44 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3hqp h ALA 376 Cb 1.24 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 3hqp h ALA 376 CO 0.51 -0.57 0.28 0.38 0.00 0.00 0.00 179.25 179.85 3hqp h ASP 377 N -0.13 0.74 -0.16 0.00 2.03 -1.94 -0.69 116.42 116.27 3hqp h ASP 377 Ca 0.06 -0.07 -0.02 0.00 -0.73 0.00 0.00 57.03 56.27 3hqp h ASP 377 Cb 0.22 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 3hqp h ASP 377 CO -0.16 0.63 0.02 -0.08 -1.03 0.00 0.00 179.24 178.62 3hqp h GLU 378 N 0.82 0.27 -0.86 4.15 4.81 -1.85 -2.50 114.58 119.42 3hqp h GLU 378 Ca 0.20 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 3hqp h GLU 378 Cb 0.09 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 3hqp h GLU 378 CO -0.03 0.46 0.56 0.00 -0.73 0.00 0.00 179.01 179.27 3hqp h ALA 379 N 0.80 1.70 -0.08 2.92 0.00 -0.69 -0.82 119.26 123.09 3hqp h ALA 379 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hqp h ALA 379 Cb 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hqp h ALA 379 CO 0.00 0.12 0.03 0.28 0.00 0.00 0.00 179.25 179.68 3hqp h VAL 380 N 0.81 1.16 -0.25 0.00 2.07 -0.96 0.35 116.25 119.43 3hqp h VAL 380 Ca 0.40 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3hqp h VAL 380 Cb 0.46 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hqp h VAL 380 CO -0.17 0.13 0.04 0.00 0.02 0.00 0.00 177.57 177.60 3hqp h SER 382 N 0.22 -0.53 0.90 0.00 0.87 -1.11 -0.71 113.55 113.19 3hqp h SER 382 Ca 0.07 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3hqp h SER 382 Cb 0.33 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hqp h SER 382 CO 0.00 -0.27 -0.02 0.28 -0.53 0.00 0.00 176.83 176.29 3hqp h SER 383 N -0.37 0.00 0.54 6.23 0.02 -0.88 -1.94 113.55 117.15 3hqp h SER 383 Ca 0.02 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.70 3hqp h SER 383 Cb 0.38 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.93 3hqp h SER 383 CO -0.10 0.02 -1.21 0.00 -1.14 0.00 0.00 176.83 174.40 3hqp h ALA 384 N 1.98 0.12 -0.50 3.77 0.00 -0.62 -2.26 119.26 121.74 3hqp h ALA 384 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 3hqp h ALA 384 Cb 0.47 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hqp h ALA 384 CO 0.00 0.91 0.17 0.28 0.00 0.00 0.00 179.25 180.61 3hqp h VAL 385 N 0.11 1.23 -0.91 0.00 2.07 -0.81 -2.51 116.25 115.43 3hqp h VAL 385 Ca -0.14 -0.75 0.19 0.00 0.82 0.00 0.00 66.70 66.82 3hqp h VAL 385 Cb 1.92 0.77 -0.11 0.00 -1.52 0.00 0.00 31.29 32.35 3hqp h VAL 385 CO 0.20 0.28 0.47 -1.13 0.02 0.00 0.00 177.57 177.41 3hqp h ASN 386 N 0.68 0.53 -0.89 0.57 -0.00 -1.33 -1.17 115.58 113.97 3hqp h ASN 386 Ca 0.16 0.12 0.01 0.00 -0.00 0.00 0.00 56.30 56.59 3hqp h ASN 386 Cb 0.26 0.04 -0.04 0.00 -0.00 0.00 0.00 38.32 38.57 3hqp h ASN 386 CO -0.01 0.15 0.59 0.28 -0.00 0.00 0.00 177.43 178.45 3hqp h SER 387 N 0.58 1.02 -0.34 1.15 0.02 -1.01 -1.83 113.55 113.14 3hqp h SER 387 Ca 0.53 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3hqp h SER 387 Cb 0.87 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3hqp h SER 387 CO -0.43 0.74 0.22 0.58 -1.14 0.00 0.00 176.83 176.80 3hqp h VAL 388 N 1.21 1.09 -0.37 2.27 2.07 -0.81 -1.54 116.25 120.18 3hqp h VAL 388 Ca 0.33 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.52 3hqp h VAL 388 Cb -0.14 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3hqp h VAL 388 CO -0.07 0.09 -0.38 1.88 0.02 0.00 0.00 177.57 179.11 3hqp h TYR 389 N 0.46 1.05 0.00 1.57 0.05 -1.34 0.52 116.97 119.27 3hqp h TYR 389 Ca 0.12 -0.31 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 3hqp h TYR 389 Cb -0.04 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 3hqp h TYR 389 CO -0.05 1.12 -0.18 0.93 -1.05 0.00 0.00 178.16 178.92 3hqp h GLU 390 N 0.72 0.00 0.00 4.88 5.08 -1.18 -3.26 114.58 120.82 3hqp h GLU 390 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hqp h GLU 390 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3hqp h GLU 390 CO 0.09 0.18 -0.50 -2.37 -1.00 0.00 0.00 179.01 175.41 3hqp n THR 391 N -3.53 0.00 -3.83 1.13 5.66 -0.59 -5.01 114.28 108.12 3hqp n THR 391 Ca -0.01 -0.31 -0.26 0.00 -3.05 0.00 0.00 64.05 60.42 3hqp n THR 391 Cb 0.33 0.84 0.03 0.00 -1.55 0.00 0.00 70.33 69.98 3hqp n THR 391 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3hqp n LYS 392 N -1.27 -5.16 -1.97 1.09 5.02 0.17 -4.95 118.16 111.09 3hqp n LYS 392 Ca 0.00 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.48 3hqp n LYS 392 Cb 0.09 -5.31 -0.01 0.00 -0.02 0.00 0.00 35.03 29.78 3hqp n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp s ALA 393 N -3.49 3.53 -1.22 7.82 0.00 -0.68 -4.86 121.76 122.86 3hqp s ALA 393 Ca 0.35 1.41 0.25 0.00 0.00 0.00 0.00 51.96 53.96 3hqp s ALA 393 Cb -0.17 -3.54 0.41 0.00 0.00 0.00 0.00 23.12 19.82 3hqp s ALA 393 CO 0.83 -0.84 1.35 1.63 0.00 0.00 0.00 175.76 178.73 3hqp n LYS 394 N 0.64 0.25 -3.73 0.00 5.02 -1.16 -4.78 118.16 114.39 3hqp n LYS 394 Ca 0.00 -0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.04 3hqp n LYS 394 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3hqp n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp s ALA 395 N -2.86 -1.07 -0.01 7.82 0.00 -1.26 -4.29 121.76 120.09 3hqp s ALA 395 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3hqp s ALA 395 Cb 0.18 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3hqp s ALA 395 CO 0.68 -0.86 -0.01 1.41 0.00 0.00 0.00 175.76 176.98 3hqp s MET 396 N -3.87 0.09 -0.16 0.00 1.75 -0.81 -2.64 119.30 113.65 3hqp s MET 396 Ca 0.09 -0.00 0.01 0.00 -1.25 0.00 0.00 55.69 54.53 3hqp s MET 396 Cb -0.02 -0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.53 3hqp s MET 396 CO -0.01 -0.01 -0.16 0.08 -0.65 0.00 0.00 175.02 174.27 3hqp s VAL 397 N 0.18 1.74 -0.04 10.11 1.01 -0.05 0.71 120.40 134.05 3hqp s VAL 397 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3hqp s VAL 397 Cb -0.03 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3hqp s VAL 397 CO -0.01 0.49 -0.08 0.68 0.00 0.00 0.00 175.10 176.19 3hqp s VAL 398 N 1.38 3.62 -0.17 2.92 -7.23 -0.42 0.44 120.40 120.95 3hqp s VAL 398 Ca 0.04 -0.60 -0.17 0.00 -1.81 0.00 0.00 61.98 59.44 3hqp s VAL 398 Cb -0.13 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3hqp s VAL 398 CO -0.11 0.53 0.45 -0.76 -0.31 0.00 0.00 175.10 174.91 3hqp s LEU 399 N -1.00 4.20 -0.18 1.32 1.43 -0.74 -1.09 118.68 122.63 3hqp s LEU 399 Ca 0.14 0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 53.81 3hqp s LEU 399 Cb -0.11 -2.62 0.06 0.00 0.03 0.00 0.00 46.19 43.56 3hqp s LEU 399 CO 0.03 -0.07 0.42 -0.55 0.23 0.00 0.00 176.35 176.42 3hqp s SER 400 N 0.89 -0.50 -0.23 2.29 0.15 -0.90 -4.82 113.70 110.58 3hqp s SER 400 Ca 0.23 0.93 0.01 0.00 0.70 0.00 0.00 55.95 57.82 3hqp s SER 400 Cb -0.15 0.87 -0.19 0.00 -1.71 0.00 0.00 66.02 64.84 3hqp s SER 400 CO 0.09 -0.20 -0.09 0.59 1.20 0.00 0.00 173.24 174.83 3hqp n ASN 401 N 4.42 1.88 0.05 5.45 3.02 -1.26 -3.96 115.26 124.86 3hqp n ASN 401 Ca -0.21 -0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.39 3hqp n ASN 401 Cb 0.55 -0.41 0.05 0.00 -0.61 0.00 0.00 39.78 39.35 3hqp n ASN 401 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hqp n THR 402 N -3.27 0.30 -0.06 3.41 -2.24 -1.26 -4.35 114.28 106.81 3hqp n THR 402 Ca -0.42 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hqp n THR 402 Cb 1.01 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3hqp n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqp n GLY 403 N 1.32 0.54 0.35 3.38 0.00 -1.26 -4.91 105.19 104.61 3hqp n GLY 403 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 3hqp n GLY 403 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hqp h ARG 404 N 4.01 -0.71 -0.22 1.61 3.08 -1.93 -2.30 114.38 117.91 3hqp h ARG 404 Ca 0.00 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3hqp h ARG 404 Cb 0.00 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3hqp h ARG 404 CO 0.00 -0.48 0.11 0.77 -1.07 0.00 0.00 179.97 179.30 3hqp h SER 405 N -0.74 0.26 -0.36 7.04 0.02 -1.94 -1.72 113.55 116.11 3hqp h SER 405 Ca -0.05 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3hqp h SER 405 Cb 0.63 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3hqp h SER 405 CO 0.02 0.23 0.06 0.00 -1.14 0.00 0.00 176.83 175.99 3hqp h ALA 406 N 1.82 0.48 0.00 3.77 0.00 -1.82 -1.82 119.26 121.70 3hqp h ALA 406 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3hqp h ALA 406 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hqp h ALA 406 CO -0.01 0.19 -0.51 0.00 0.00 0.00 0.00 179.25 178.92 3hqp h ARG 407 N 0.44 0.00 -0.23 0.00 3.08 -0.94 -1.98 114.38 114.75 3hqp h ARG 407 Ca 0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 3hqp h ARG 407 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3hqp h ARG 407 CO 0.01 0.51 -0.50 1.25 -1.07 0.00 0.00 179.97 180.17 3hqp h LEU 408 N 0.00 0.70 0.00 3.04 5.85 -1.16 -0.55 115.31 123.20 3hqp h LEU 408 Ca -0.01 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 3hqp h LEU 408 Cb 0.93 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3hqp h LEU 408 CO 0.07 1.08 -0.00 0.58 -0.34 0.00 0.00 178.44 179.82 3hqp h VAL 409 N 0.51 1.40 -0.13 1.05 2.07 -1.22 -3.23 116.25 116.70 3hqp h VAL 409 Ca 0.02 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.38 3hqp h VAL 409 Cb 1.04 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3hqp h VAL 409 CO 0.10 0.31 0.09 0.00 0.02 0.00 0.00 177.57 178.09 3hqp h ALA 410 N 0.48 2.09 -0.97 1.67 0.00 -1.35 -0.95 119.26 120.23 3hqp h ALA 410 Ca -0.00 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.11 3hqp h ALA 410 Cb 0.51 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 3hqp h ALA 410 CO 0.00 -0.16 0.62 -0.22 0.00 0.00 0.00 179.25 179.49 3hqp h LYS 411 N 0.00 0.53 -0.37 0.00 3.64 -1.11 -2.33 116.57 116.94 3hqp h LYS 411 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hqp h LYS 411 Cb 0.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hqp h LYS 411 CO -0.00 0.35 0.00 0.66 -2.27 0.00 0.00 179.45 178.19 3hqp n TYR 412 N -4.63 0.49 -3.68 1.91 4.01 -0.36 -4.95 117.16 109.95 3hqp n TYR 412 Ca 0.22 -0.24 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 3hqp n TYR 412 Cb 0.68 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.73 3hqp n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hqp n ARG 413 N 0.75 -1.17 -0.99 -0.72 5.12 -0.88 -4.36 116.66 114.41 3hqp n ARG 413 Ca 0.16 0.65 -0.31 0.00 -1.93 0.00 0.00 57.85 56.42 3hqp n ARG 413 Cb 0.39 -3.58 0.14 0.00 -1.16 0.00 0.00 32.46 28.25 3hqp n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hqp s PRO 414 N -5.42 1.45 -0.60 5.56 0.04 -1.26 -4.56 135.00 130.21 3hqp s PRO 414 Ca 0.26 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 3hqp s PRO 414 Cb -0.11 -1.80 0.52 0.00 0.04 0.00 0.00 34.50 33.15 3hqp s PRO 414 CO 0.87 -2.24 2.00 0.27 0.04 0.00 0.00 177.00 177.95 3hqp n ASN 415 N -3.93 6.43 -3.95 6.66 6.94 -1.26 -4.92 115.26 121.23 3hqp n ASN 415 Ca 0.10 -3.73 -0.09 0.00 -0.02 0.00 0.00 54.58 50.84 3hqp n ASN 415 Cb 0.53 -0.93 -0.07 0.00 -2.36 0.00 0.00 39.78 36.94 3hqp n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqp s PRO 417 N -3.95 4.25 -0.19 0.00 0.02 -1.26 -4.88 135.00 128.99 3hqp s PRO 417 Ca 0.15 2.33 -0.17 0.00 0.02 0.00 0.00 61.00 63.32 3hqp s PRO 417 Cb 0.04 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 3hqp s PRO 417 CO -0.02 -0.44 0.46 0.42 -0.33 0.00 0.00 177.00 177.09 3hqp s ILE 418 N -0.04 5.16 -0.31 2.83 1.01 -0.83 -1.93 121.20 127.09 3hqp s ILE 418 Ca 0.59 0.83 -0.08 0.00 0.00 0.00 0.00 60.65 62.00 3hqp s ILE 418 Cb -0.42 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3hqp s ILE 418 CO 0.44 0.22 0.11 -0.69 0.00 0.00 0.00 174.94 175.03 3hqp s VAL 419 N 1.40 4.15 -0.28 2.92 1.01 0.22 -0.69 120.40 129.13 3hqp s VAL 419 Ca 0.22 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3hqp s VAL 419 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3hqp s VAL 419 CO 0.09 0.02 0.23 0.00 0.00 0.00 0.00 175.10 175.45 3hqp s VAL 421 N 1.83 5.19 0.12 0.00 1.01 -0.25 0.04 120.40 128.33 3hqp s VAL 421 Ca 0.09 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.39 3hqp s VAL 421 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3hqp s VAL 421 CO 0.11 0.05 -0.14 0.28 0.00 0.00 0.00 175.10 175.39 3hqp s THR 422 N 2.01 1.34 -2.51 3.92 -1.32 -0.20 -2.11 115.64 116.76 3hqp s THR 422 Ca 0.12 -1.70 0.23 0.00 -1.21 0.00 0.00 61.69 59.13 3hqp s THR 422 Cb -0.16 -1.52 0.10 0.00 -1.51 0.00 0.00 72.50 69.41 3hqp s THR 422 CO 0.11 -0.40 1.17 0.35 -2.21 0.00 0.00 174.62 173.63 3hqp n THR 423 N 0.57 0.00 -4.00 5.08 -2.24 -1.26 0.24 114.28 112.67 3hqp n THR 423 Ca -0.16 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 3hqp n THR 423 Cb 0.57 1.38 -0.15 0.00 -2.10 0.00 0.00 70.33 70.04 3hqp n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hqp s ARG 424 N -2.17 2.87 0.54 -0.78 0.52 -1.26 -4.74 118.95 113.92 3hqp s ARG 424 Ca 0.23 -0.95 0.21 0.00 -0.52 0.00 0.00 55.73 54.70 3hqp s ARG 424 Cb 0.19 -2.89 1.41 0.00 0.52 0.00 0.00 34.95 34.17 3hqp s ARG 424 CO 0.41 -0.36 2.14 1.25 0.02 0.00 0.00 175.30 178.77 3hqp h LEU 425 N 7.99 0.00 -0.88 2.53 5.85 -1.94 -1.22 115.31 127.63 3hqp h LEU 425 Ca -0.35 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 3hqp h LEU 425 Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3hqp h LEU 425 CO 0.58 0.00 -0.39 -0.61 -0.34 0.00 0.00 178.44 177.68 3hqp h GLN 426 N 0.00 0.34 -0.78 1.25 4.15 -1.96 -2.68 115.11 115.42 3hqp h GLN 426 Ca 0.04 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 3hqp h GLN 426 Cb 0.18 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3hqp h GLN 426 CO -0.00 0.68 0.32 1.15 -1.93 0.00 0.00 178.83 179.05 3hqp h THR 427 N 0.28 1.26 -0.62 2.39 2.02 -1.52 0.14 112.91 116.85 3hqp h THR 427 Ca 0.03 -0.80 0.12 0.00 0.77 0.00 0.00 66.41 66.53 3hqp h THR 427 Cb 0.82 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 67.47 3hqp h THR 427 CO 0.07 0.33 0.14 0.00 0.37 0.00 0.00 175.52 176.42 3hqp h ARG 429 N 0.27 0.61 0.00 0.00 3.08 -1.10 -3.27 114.38 113.97 3hqp h ARG 429 Ca 0.33 -0.38 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3hqp h ARG 429 Cb 0.50 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3hqp h ARG 429 CO -0.41 0.99 -0.39 1.96 -1.07 0.00 0.00 179.97 181.06 3hqp h GLN 430 N 0.47 0.00 0.00 0.04 4.20 -0.16 -2.54 115.11 117.12 3hqp h GLN 430 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hqp h GLN 430 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3hqp h GLN 430 CO 0.11 0.39 0.00 1.28 -0.67 0.00 0.00 178.83 179.93 3hqp n LEU 431 N -3.38 0.00 0.00 1.46 4.77 -0.29 -3.24 117.00 116.32 3hqp n LEU 431 Ca 0.01 0.26 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 3hqp n LEU 431 Cb 0.57 -0.26 0.22 0.00 -2.33 0.00 0.00 43.42 41.63 3hqp n LEU 431 CO 0.37 -0.02 0.65 0.59 -1.33 0.00 0.00 177.39 177.66 3hqp n ASN 432 N -1.26 0.00 -0.97 -1.43 3.02 -0.95 -1.53 115.26 112.13 3hqp n ASN 432 Ca 0.14 0.44 0.09 0.00 -0.03 0.00 0.00 54.58 55.23 3hqp n ASN 432 Cb 0.21 -0.47 0.20 0.00 -0.61 0.00 0.00 39.78 39.11 3hqp n ASN 432 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3hqp n ILE 433 N -1.47 0.67 -4.05 2.41 -5.35 -1.20 -4.77 119.36 105.60 3hqp n ILE 433 Ca 0.03 -0.84 -0.35 0.00 -0.27 0.00 0.00 62.75 61.32 3hqp n ILE 433 Cb 0.11 0.79 -0.13 0.00 -1.74 0.00 0.00 39.64 38.68 3hqp n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3hqp s THR 434 N -1.19 3.85 0.36 7.28 2.01 -0.58 -4.61 115.64 122.76 3hqp s THR 434 Ca 0.34 -0.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 3hqp s THR 434 Cb 0.19 -2.74 -0.12 0.00 0.01 0.00 0.00 72.50 69.84 3hqp s THR 434 CO 0.26 0.43 1.41 1.67 -0.69 0.00 0.00 174.62 177.69 3hqp n GLN 435 N 4.34 2.44 -0.92 4.92 0.00 -1.26 -3.72 117.38 123.18 3hqp n GLN 435 Ca -0.17 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 57.68 3hqp n GLN 435 Cb 0.52 -2.53 0.00 0.00 0.00 0.00 0.00 30.24 28.23 3hqp n GLN 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hqp n GLY 436 N 0.65 0.47 3.61 1.69 0.00 0.14 -4.87 105.19 106.88 3hqp n GLY 436 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3hqp n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqp s VAL 437 N -2.24 3.84 -0.07 1.61 1.01 -1.24 -1.97 120.40 121.34 3hqp s VAL 437 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3hqp s VAL 437 Cb 0.00 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3hqp s VAL 437 CO 0.00 0.56 -0.17 -1.61 0.00 0.00 0.00 175.10 173.88 3hqp s GLU 438 N -0.96 2.08 -0.12 2.72 2.02 0.14 -4.94 118.70 119.64 3hqp s GLU 438 Ca 0.14 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 3hqp s GLU 438 Cb -0.11 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 3hqp s GLU 438 CO 0.03 0.13 0.07 -1.12 0.02 0.00 0.00 175.26 174.39 3hqp s SER 439 N 0.41 5.80 -0.12 -0.19 0.01 -1.26 -0.43 113.70 117.92 3hqp s SER 439 Ca -0.13 0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.43 3hqp s SER 439 Cb -0.15 -1.81 0.01 0.00 0.21 0.00 0.00 66.02 64.28 3hqp s SER 439 CO 0.05 0.36 -0.21 -0.69 0.41 0.00 0.00 173.24 173.16 3hqp s VAL 440 N -0.73 1.91 -0.11 3.43 1.01 0.11 -4.94 120.40 121.08 3hqp s VAL 440 Ca 0.12 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 3hqp s VAL 440 Cb -0.12 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3hqp s VAL 440 CO 0.03 0.52 0.82 0.12 0.00 0.00 0.00 175.10 176.59 3hqp s PHE 441 N 0.75 3.51 -0.37 5.22 5.36 -1.26 -1.03 117.98 130.15 3hqp s PHE 441 Ca -0.10 1.33 -0.06 0.00 -0.96 0.00 0.00 56.93 57.14 3hqp s PHE 441 Cb -0.16 -2.97 0.07 0.00 -0.34 0.00 0.00 43.02 39.62 3hqp s PHE 441 CO 0.00 -0.10 0.16 0.12 -1.46 0.00 0.00 175.22 173.94 3hqp s PHE 442 N 1.56 3.35 -0.93 10.12 5.36 0.14 -4.92 117.98 132.65 3hqp s PHE 442 Ca 0.40 -1.73 -0.24 0.00 -0.96 0.00 0.00 56.93 54.40 3hqp s PHE 442 Cb -0.18 -2.68 -0.01 0.00 -0.34 0.00 0.00 43.02 39.81 3hqp s PHE 442 CO 0.17 -0.83 1.77 0.34 -1.46 0.00 0.00 175.22 175.20 3hqp s ASP 443 N 1.71 5.62 0.50 6.13 -1.08 -1.26 -4.21 116.67 124.07 3hqp s ASP 443 Ca 0.01 -0.90 0.27 0.00 -0.52 0.00 0.00 52.55 51.41 3hqp s ASP 443 Cb -0.21 -2.56 1.29 0.00 -1.46 0.00 0.00 42.92 39.97 3hqp s ASP 443 CO 0.01 -2.31 1.99 0.00 0.52 0.00 0.00 175.17 175.38 3hqp h ALA 444 N 10.88 1.16 -0.73 3.66 0.00 -1.85 -1.53 119.26 130.84 3hqp h ALA 444 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3hqp h ALA 444 Cb 1.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3hqp h ALA 444 CO 1.28 0.19 0.21 -0.44 0.00 0.00 0.00 179.25 180.49 3hqp h ASP 445 N 0.00 1.09 -0.02 0.00 5.19 -1.87 -1.29 116.42 119.52 3hqp h ASP 445 Ca -0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 3hqp h ASP 445 Cb 0.48 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3hqp h ASP 445 CO 0.02 1.02 -0.07 2.29 -3.12 0.00 0.00 179.24 179.38 3hqp n LYS 446 N -4.24 1.45 0.00 3.56 2.85 -1.03 -4.53 118.16 116.22 3hqp n LYS 446 Ca 0.06 -1.38 0.00 0.00 -1.05 0.00 0.00 58.31 55.94 3hqp n LYS 446 Cb 0.25 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 3hqp n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqp n LEU 447 N 0.74 0.27 0.00 -5.58 4.77 -0.61 -5.10 117.00 111.50 3hqp n LEU 447 Ca 0.09 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3hqp n LEU 447 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hqp n LEU 447 CO 0.13 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3hqp n GLY 448 N 0.54 0.69 0.08 -0.72 0.00 -0.49 -4.75 105.19 100.54 3hqp n GLY 448 Ca 0.00 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.28 3hqp n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqp n HIS 449 N 1.04 0.00 -3.78 1.61 8.25 -1.26 -4.44 115.22 116.63 3hqp n HIS 449 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3hqp n HIS 449 Cb 0.00 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 30.88 3hqp n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hqp n ASP 450 N -1.11 -5.03 0.10 0.41 2.03 -1.26 -4.86 116.55 106.82 3hqp n ASP 450 Ca 0.13 -0.98 0.13 0.00 0.52 0.00 0.00 54.79 54.58 3hqp n ASP 450 Cb 0.29 -2.33 0.44 0.00 -0.72 0.00 0.00 41.12 38.80 3hqp n ASP 450 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hqp n GLU 451 N -3.51 0.22 -0.04 -0.67 0.00 -1.26 -2.28 120.64 113.10 3hqp n GLU 451 Ca -0.19 0.22 0.12 0.00 0.00 0.00 0.00 57.16 57.31 3hqp n GLU 451 Cb 0.62 -1.78 0.44 0.00 0.00 0.00 0.00 31.44 30.72 3hqp n GLU 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hqp n GLY 452 N 1.14 0.17 4.68 -1.84 0.00 -1.26 -4.86 105.19 103.23 3hqp n GLY 452 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3hqp n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqp n LYS 453 N 0.27 0.00 -0.37 1.61 4.76 -0.96 -4.82 118.16 118.64 3hqp n LYS 453 Ca 0.17 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.59 3hqp n LYS 453 Cb 0.34 -3.51 0.11 0.00 -1.84 0.00 0.00 35.03 30.13 3hqp n LYS 453 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3hqp h GLU 454 N 0.32 1.32 -0.37 1.97 3.07 -1.93 -1.40 114.58 117.57 3hqp h GLU 454 Ca 0.00 -0.09 -0.11 0.00 -0.50 0.00 0.00 59.36 58.66 3hqp h GLU 454 Cb 0.00 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.61 3hqp h GLU 454 CO 0.00 0.88 -0.21 0.45 -1.40 0.00 0.00 179.01 178.73 3hqp h HIS 455 N 1.36 0.92 -0.43 4.33 3.86 -1.91 0.90 115.15 124.18 3hqp h HIS 455 Ca 0.36 -0.24 -0.13 0.00 -1.16 0.00 0.00 60.37 59.21 3hqp h HIS 455 Cb -0.14 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 3hqp h HIS 455 CO 0.00 0.99 -0.22 0.00 0.86 0.00 0.00 177.93 179.56 3hqp h ARG 456 N 0.58 0.92 -0.34 2.45 3.08 -1.87 -0.67 114.38 118.54 3hqp h ARG 456 Ca 0.08 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 3hqp h ARG 456 Cb 0.77 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3hqp h ARG 456 CO 0.06 1.06 0.13 0.28 -1.07 0.00 0.00 179.97 180.44 3hqp h VAL 457 N 0.75 1.19 -0.96 2.04 2.07 -1.20 -1.64 116.25 118.50 3hqp h VAL 457 Ca 0.09 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3hqp h VAL 457 Cb 0.80 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3hqp h VAL 457 CO 0.07 0.20 0.62 0.00 0.02 0.00 0.00 177.57 178.48 3hqp h ALA 458 N 0.98 1.27 -0.76 1.67 0.00 -0.76 -1.61 119.26 120.06 3hqp h ALA 458 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hqp h ALA 458 Cb 0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3hqp h ALA 458 CO -0.01 0.49 0.30 0.00 0.00 0.00 0.00 179.25 180.03 3hqp h ALA 459 N 1.40 1.10 -0.08 0.00 0.00 -0.81 -1.39 119.26 119.47 3hqp h ALA 459 Ca 0.38 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 3hqp h ALA 459 Cb 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hqp h ALA 459 CO -0.13 0.64 -0.60 0.78 0.00 0.00 0.00 179.25 179.95 3hqp h GLY 460 N 1.13 0.60 1.00 0.00 0.00 -1.07 -2.60 103.07 102.14 3hqp h GLY 460 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3hqp h GLY 460 CO -0.02 0.80 0.40 -2.08 0.00 0.00 0.00 176.54 175.64 3hqp h VAL 461 N 0.15 1.18 -0.38 4.60 2.07 -1.26 -2.22 116.25 120.38 3hqp h VAL 461 Ca -0.05 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3hqp h VAL 461 Cb 1.26 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3hqp h VAL 461 CO 0.12 0.18 0.02 -0.08 0.02 0.00 0.00 177.57 177.83 3hqp h GLU 462 N 0.86 0.58 -0.38 1.57 4.57 -1.28 -0.94 114.58 119.56 3hqp h GLU 462 Ca 0.23 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 3hqp h GLU 462 Cb -0.05 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3hqp h GLU 462 CO -0.05 0.59 -0.06 0.35 -1.18 0.00 0.00 179.01 178.66 3hqp h PHE 463 N 0.56 0.80 -0.18 0.92 3.57 -1.28 -1.23 116.94 120.10 3hqp h PHE 463 Ca 0.12 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3hqp h PHE 463 Cb 0.32 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3hqp h PHE 463 CO 0.01 0.84 0.05 0.00 -2.23 0.00 0.00 178.31 176.98 3hqp h ALA 464 N 0.85 1.75 -0.15 2.41 0.00 -1.01 -1.39 119.26 121.71 3hqp h ALA 464 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 464 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hqp h ALA 464 CO 0.03 0.20 -0.16 0.87 0.00 0.00 0.00 179.25 180.19 3hqp h LYS 465 N 0.25 0.38 -0.19 0.00 1.79 -0.90 0.30 116.57 118.20 3hqp h LYS 465 Ca 0.06 -0.20 -0.07 0.00 -2.18 0.00 0.00 60.65 58.27 3hqp h LYS 465 Cb 0.10 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3hqp h LYS 465 CO -0.00 0.76 -0.17 0.66 -1.08 0.00 0.00 179.45 179.62 3hqp h SER 466 N 0.01 0.31 1.11 0.86 4.64 -0.76 -1.08 113.55 118.65 3hqp h SER 466 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hqp h SER 466 Cb 0.69 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3hqp h SER 466 CO 0.04 0.51 -0.01 0.29 -0.87 0.00 0.00 176.83 176.79 3hqp n LYS 467 N -4.21 0.06 -0.98 4.77 4.76 -0.57 -4.92 118.16 117.07 3hqp n LYS 467 Ca -0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3hqp n LYS 467 Cb 0.32 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3hqp n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqp n GLY 468 N 1.45 0.40 0.22 0.72 0.00 -0.41 -4.95 105.19 102.63 3hqp n GLY 468 Ca 0.07 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 3hqp n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hqp h TYR 469 N 0.00 0.89 -3.98 1.61 0.05 -1.16 -3.46 116.97 110.92 3hqp h TYR 469 Ca 0.00 -0.33 -0.39 0.00 0.05 0.00 0.00 58.73 58.06 3hqp h TYR 469 Cb 0.00 -0.16 -0.23 0.00 1.01 0.00 0.00 36.73 37.35 3hqp h TYR 469 CO 0.00 1.12 -0.77 0.14 -1.05 0.00 0.00 178.16 177.60 3hqp s VAL 470 N -3.97 0.95 0.35 -2.88 -7.23 -1.12 -4.67 120.40 101.82 3hqp s VAL 470 Ca -0.09 -1.08 0.06 0.00 -1.81 0.00 0.00 61.98 59.05 3hqp s VAL 470 Cb 0.10 -0.91 -0.07 0.00 0.56 0.00 0.00 36.38 36.07 3hqp s VAL 470 CO 0.87 -0.16 0.02 -1.10 -0.31 0.00 0.00 175.10 174.42 3hqp s GLN 471 N -1.40 1.76 0.17 4.82 1.11 -1.26 -4.37 119.66 120.50 3hqp s GLN 471 Ca -0.02 -1.98 -0.32 0.00 0.01 0.00 0.00 55.36 53.05 3hqp s GLN 471 Cb -0.09 -1.23 -0.17 0.00 -1.01 0.00 0.00 33.01 30.52 3hqp s GLN 471 CO 0.01 -0.10 0.93 2.41 0.01 0.00 0.00 175.29 178.56 3hqp n THR 472 N -0.79 1.23 -0.38 -0.19 -1.04 -1.24 -1.59 114.28 110.29 3hqp n THR 472 Ca -0.04 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3hqp n THR 472 Cb 0.66 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3hqp n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hqp n GLY 473 N 1.80 0.97 3.86 3.41 0.00 -0.21 -4.99 105.19 110.03 3hqp n GLY 473 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3hqp n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqp s ASP 474 N -3.01 6.68 0.24 1.61 1.01 -0.62 -4.85 116.67 117.73 3hqp s ASP 474 Ca 0.00 1.26 -0.14 0.00 0.71 0.00 0.00 52.55 54.39 3hqp s ASP 474 Cb 0.00 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.48 3hqp s ASP 474 CO 0.00 -0.31 0.63 -0.31 0.21 0.00 0.00 175.17 175.39 3hqp s TYR 475 N -2.19 3.48 -0.05 4.23 2.02 -1.26 -0.18 117.35 123.41 3hqp s TYR 475 Ca 0.54 1.10 -0.01 0.00 -0.37 0.00 0.00 57.07 58.32 3hqp s TYR 475 Cb -0.10 -2.42 0.03 0.00 -0.40 0.00 0.00 41.96 39.07 3hqp s TYR 475 CO 0.23 0.26 0.03 0.00 -1.57 0.00 0.00 175.55 174.50 3hqp s VAL 477 N 1.75 4.95 -0.15 0.00 1.01 -1.08 -0.93 120.40 125.96 3hqp s VAL 477 Ca 0.00 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 3hqp s VAL 477 Cb -0.13 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3hqp s VAL 477 CO -0.03 0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.29 3hqp s VAL 478 N 2.48 3.23 -0.18 2.92 1.01 0.55 -0.87 120.40 129.54 3hqp s VAL 478 Ca 0.29 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3hqp s VAL 478 Cb -0.16 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3hqp s VAL 478 CO 0.09 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 174.89 3hqp s ILE 479 N 0.49 1.92 0.00 2.22 1.01 0.17 -1.30 121.20 125.72 3hqp s ILE 479 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3hqp s ILE 479 Cb -0.15 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.53 3hqp s ILE 479 CO 0.04 0.46 0.00 0.00 0.00 0.00 0.00 174.94 175.44 3hqp n HIS 480 N 4.65 -0.14 -3.92 3.97 1.44 -1.02 -1.79 115.22 118.40 3hqp n HIS 480 Ca -0.19 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.31 3hqp n HIS 480 Cb 0.49 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 3hqp n HIS 480 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hqp s ALA 481 N -1.02 3.90 1.13 1.59 0.00 -1.26 -1.59 121.76 124.51 3hqp s ALA 481 Ca 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 3hqp s ALA 481 Cb 0.00 -1.62 0.23 0.00 0.00 0.00 0.00 23.12 21.72 3hqp s ALA 481 CO 0.00 0.20 0.96 -0.40 0.00 0.00 0.00 175.76 176.52 3hqp n ASP 482 N -1.40 -1.22 0.16 0.00 5.68 -1.26 -4.89 116.55 113.62 3hqp n ASP 482 Ca -0.07 -1.17 0.06 0.00 -0.50 0.00 0.00 54.79 53.11 3hqp n ASP 482 Cb 0.57 -0.83 0.52 0.00 -1.14 0.00 0.00 41.12 40.25 3hqp n ASP 482 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3hqp h HIS 483 N -2.21 0.18 0.00 2.11 -0.00 -1.98 -3.30 115.15 109.95 3hqp h HIS 483 Ca -0.34 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 59.96 3hqp h HIS 483 Cb 1.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.35 3hqp h HIS 483 CO 0.00 0.17 -0.40 -0.22 -0.00 0.00 0.00 177.93 177.48 3hqp h LYS 484 N 0.18 0.00 -6.80 5.26 3.64 -1.96 -3.48 116.57 113.42 3hqp h LYS 484 Ca 0.05 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.92 3hqp h LYS 484 Cb 0.09 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3hqp h LYS 484 CO -0.00 0.90 0.52 0.08 -2.27 0.00 0.00 179.45 178.67 3hqp s VAL 485 N -2.22 3.36 -0.01 2.00 1.01 -1.24 -5.05 120.40 118.25 3hqp s VAL 485 Ca -0.21 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.15 3hqp s VAL 485 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3hqp s VAL 485 CO 0.60 0.30 -0.14 -0.54 0.00 0.00 0.00 175.10 175.32 3hqp s LYS 486 N -1.32 1.13 0.00 2.72 -0.14 -1.26 -4.71 119.74 116.16 3hqp s LYS 486 Ca 0.46 -0.50 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 3hqp s LYS 486 Cb -0.33 -1.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 3hqp s LYS 486 CO 0.42 0.30 0.00 0.41 -0.76 0.00 0.00 175.35 175.72 3hqp n GLY 487 N 2.75 2.49 3.75 -3.33 0.00 -1.26 -5.03 105.19 104.57 3hqp n GLY 487 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3hqp n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqp s TYR 488 N -2.34 0.05 -0.20 1.61 -0.85 -1.26 -5.07 117.35 109.29 3hqp s TYR 488 Ca 0.00 -0.48 -0.16 0.00 -0.52 0.00 0.00 57.07 55.91 3hqp s TYR 488 Cb 0.00 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3hqp s TYR 488 CO 0.00 -1.16 0.41 0.00 -1.52 0.00 0.00 175.55 173.28 3hqp s ALA 489 N -3.87 3.55 -0.47 9.51 0.00 -1.26 -4.46 121.76 124.77 3hqp s ALA 489 Ca 0.16 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.70 3hqp s ALA 489 Cb -0.04 -2.65 0.21 0.00 0.00 0.00 0.00 23.12 20.65 3hqp s ALA 489 CO 0.08 -0.29 1.17 0.27 0.00 0.00 0.00 175.76 176.99 3hqp n ASN 490 N 4.44 2.64 -3.82 0.00 2.04 -1.07 -4.24 115.26 115.24 3hqp n ASN 490 Ca -0.08 -2.16 -0.13 0.00 -0.44 0.00 0.00 54.58 51.77 3hqp n ASN 490 Cb 0.51 -0.19 -0.14 0.00 -2.53 0.00 0.00 39.78 37.43 3hqp n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3hqp s GLN 491 N -1.29 0.03 0.13 -3.83 0.74 -0.62 -4.89 119.66 109.93 3hqp s GLN 491 Ca 0.17 0.13 0.11 0.00 0.05 0.00 0.00 55.36 55.81 3hqp s GLN 491 Cb 0.11 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 3hqp s GLN 491 CO 0.08 -0.06 -0.27 0.95 -0.55 0.00 0.00 175.29 175.44 3hqp s THR 492 N 0.41 2.24 0.00 -0.34 -4.23 -1.26 -2.44 115.64 110.02 3hqp s THR 492 Ca -0.03 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3hqp s THR 492 Cb -0.05 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 3hqp s THR 492 CO -0.01 0.08 -0.01 0.00 -0.54 0.00 0.00 174.62 174.13 3hqp s ARG 493 N -2.07 0.12 -0.30 3.99 1.70 -0.42 -4.99 118.95 116.97 3hqp s ARG 493 Ca 0.14 -0.13 -0.11 0.00 -0.47 0.00 0.00 55.73 55.16 3hqp s ARG 493 Cb -0.10 -0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 3hqp s ARG 493 CO 0.06 0.01 0.20 0.42 -1.08 0.00 0.00 175.30 174.91 3hqp s ILE 494 N -0.24 5.16 0.07 4.99 1.01 -1.26 -0.33 121.20 130.60 3hqp s ILE 494 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.63 3hqp s ILE 494 Cb -0.02 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 3hqp s ILE 494 CO -0.00 0.13 -0.16 -1.48 0.00 0.00 0.00 174.94 173.43 3hqp s LEU 495 N 1.72 2.26 -0.31 2.97 0.05 -0.10 -4.94 118.68 120.33 3hqp s LEU 495 Ca 0.06 -0.61 -0.20 0.00 0.05 0.00 0.00 54.13 53.43 3hqp s LEU 495 Cb -0.17 -0.64 -0.01 0.00 -2.05 0.00 0.00 46.19 43.33 3hqp s LEU 495 CO 0.10 -0.02 0.64 -0.22 -0.55 0.00 0.00 176.35 176.30 3hqp s LEU 496 N -1.67 4.16 0.33 1.48 2.96 -1.26 0.21 118.68 124.89 3hqp s LEU 496 Ca 0.01 0.39 -0.28 0.00 -0.22 0.00 0.00 54.13 54.03 3hqp s LEU 496 Cb -0.10 -2.83 -0.10 0.00 0.50 0.00 0.00 46.19 43.67 3hqp s LEU 496 CO 0.03 -0.51 1.24 0.68 -1.32 0.00 0.00 176.35 176.47 3hqp s VAL 497 N 2.65 2.95 -2.93 1.68 -7.23 0.75 -4.87 120.40 113.41 3hqp s VAL 497 Ca 0.26 0.93 0.25 0.00 -1.81 0.00 0.00 61.98 61.61 3hqp s VAL 497 Cb -0.15 -3.59 0.24 0.00 0.56 0.00 0.00 36.38 33.45 3hqp s VAL 497 CO 0.12 0.21 1.33 -0.62 -0.31 0.00 0.00 175.10 175.83