#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 0.97 -0.09 4.33 5.75 -2.06 -1.93 115.11 122.08 3hqp h GLN 2 Ca 0.00 -0.41 0.03 0.00 -0.15 0.00 0.00 58.65 58.12 3hqp h GLN 2 Cb 0.00 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 3hqp h GLN 2 CO 0.00 1.08 -0.08 1.25 -2.65 0.00 0.00 178.83 178.43 3hqp h LEU 3 N 0.82 -0.26 -1.07 -2.39 6.46 -2.07 -1.41 115.31 115.39 3hqp h LEU 3 Ca 0.11 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 3hqp h LEU 3 Cb 0.77 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 3hqp h LEU 3 CO 0.06 -0.12 0.29 0.00 -0.62 0.00 0.00 178.44 178.05 3hqp h ALA 4 N 0.96 1.27 -0.08 1.25 0.00 -2.00 -2.65 119.26 118.02 3hqp h ALA 4 Ca 0.06 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3hqp h ALA 4 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hqp h ALA 4 CO -0.15 0.55 -0.40 1.25 0.00 0.00 0.00 179.25 180.50 3hqp h HIS 5 N 0.93 0.19 -0.14 0.00 -0.00 -1.01 -2.99 115.15 112.14 3hqp h HIS 5 Ca 0.22 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 3hqp h HIS 5 Cb 0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 3hqp h HIS 5 CO 0.01 0.54 -0.27 -0.91 -0.00 0.00 0.00 177.93 177.31 3hqp h ASN 6 N 0.14 0.25 0.86 3.26 2.35 -0.90 -2.40 115.58 119.14 3hqp h ASN 6 Ca 0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3hqp h ASN 6 Cb 0.77 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3hqp h ASN 6 CO 0.06 0.52 0.00 -0.07 -1.65 0.00 0.00 177.43 176.29 3hqp h LEU 7 N 0.23 0.00 -1.73 1.61 3.38 -1.44 -2.73 115.31 114.63 3hqp h LEU 7 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hqp h LEU 7 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hqp h LEU 7 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 3hqp n THR 8 N -2.38 0.42 -2.79 0.22 -2.24 -0.90 -4.95 114.28 101.66 3hqp n THR 8 Ca 0.02 -0.57 -0.28 0.00 -2.27 0.00 0.00 64.05 60.95 3hqp n THR 8 Cb 0.26 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.42 3.74 0.01 3.22 1.43 -1.03 -5.11 118.68 119.53 3hqp s LEU 9 Ca 0.35 0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 3hqp s LEU 9 Cb 0.19 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 3hqp s LEU 9 CO 0.28 -0.48 0.02 -0.55 0.23 0.00 0.00 176.35 175.85 3hqp s SER 10 N -3.72 0.17 0.30 2.29 0.15 -1.26 -5.04 113.70 106.60 3hqp s SER 10 Ca 0.48 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.79 3hqp s SER 10 Cb -0.10 0.13 0.49 0.00 -1.71 0.00 0.00 66.02 64.83 3hqp s SER 10 CO 0.39 -0.31 1.73 0.16 1.20 0.00 0.00 173.24 176.41 3hqp h ILE 11 N 4.55 1.28 0.00 6.45 3.07 -2.01 -3.23 117.51 127.62 3hqp h ILE 11 Ca -0.31 -1.37 0.00 0.00 1.55 0.00 0.00 64.86 64.72 3hqp h ILE 11 Cb 1.21 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 3hqp h ILE 11 CO 0.41 0.42 0.00 -0.26 -1.05 0.00 0.00 178.15 177.67 3hqp h PHE 12 N 0.24 0.00 -1.56 0.16 0.04 -2.05 -3.47 116.94 110.31 3hqp h PHE 12 Ca 0.03 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.14 3hqp h PHE 12 Cb 0.73 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.98 3hqp h PHE 12 CO 0.01 0.00 -0.16 -0.25 -0.60 0.00 0.00 178.31 177.32 3hqp n ASP 13 N -2.32 0.00 -4.74 2.17 8.00 -1.22 -4.93 116.55 113.51 3hqp n ASP 13 Ca 0.04 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.28 3hqp n ASP 13 Cb 0.35 -1.08 -0.05 0.00 -0.02 0.00 0.00 41.12 40.32 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 -0.96 4.77 0.62 -0.24 0.04 -1.26 -5.04 135.00 132.94 3hqp s PRO 14 Ca 0.67 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 63.08 3hqp s PRO 14 Cb -0.89 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 3hqp s PRO 14 CO 0.57 0.37 1.04 0.14 0.04 0.00 0.00 177.00 179.16 3hqp s VAL 15 N -0.72 4.12 0.94 -0.36 -7.23 -1.26 -5.02 120.40 110.87 3hqp s VAL 15 Ca 0.44 0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 61.35 3hqp s VAL 15 Cb -0.26 -3.50 0.16 0.00 0.56 0.00 0.00 36.38 33.34 3hqp s VAL 15 CO 0.32 -0.74 1.11 0.00 -0.31 0.00 0.00 175.10 175.48 3hqp s ALA 16 N -2.78 1.20 -1.46 1.32 0.00 -1.26 -4.89 121.76 113.89 3hqp s ALA 16 Ca 0.60 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3hqp s ALA 16 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hqp s ALA 16 CO 0.44 -2.83 0.72 0.27 0.00 0.00 0.00 175.76 174.36 3hqp n ASN 17 N -4.26 0.53 -3.63 0.00 2.04 -1.26 -4.79 115.26 103.89 3hqp n ASN 17 Ca 0.10 -1.97 -0.12 0.00 -0.44 0.00 0.00 54.58 52.15 3hqp n ASN 17 Cb 0.53 -0.27 -0.07 0.00 -2.53 0.00 0.00 39.78 37.44 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 -1.46 -0.62 -0.18 -2.53 -0.85 -1.26 -5.05 117.35 105.39 3hqp s TYR 18 Ca 0.00 1.52 -0.15 0.00 -0.52 0.00 0.00 57.07 57.91 3hqp s TYR 18 Cb 0.00 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 3hqp s TYR 18 CO 0.00 -0.30 0.37 0.50 -1.52 0.00 0.00 175.55 174.60 3hqp s ARG 19 N 0.28 4.21 -0.09 -3.49 3.52 -1.26 -5.00 118.95 117.12 3hqp s ARG 19 Ca 0.02 0.18 -0.16 0.00 -0.13 0.00 0.00 55.73 55.63 3hqp s ARG 19 Cb -0.05 -3.50 -0.13 0.00 -1.56 0.00 0.00 34.95 29.71 3hqp s ARG 19 CO -0.03 0.05 0.55 0.00 -0.81 0.00 0.00 175.30 175.07 3hqp h ALA 20 N 7.14 -0.10 -2.92 6.12 0.00 -1.96 -3.43 119.26 124.10 3hqp h ALA 20 Ca -0.38 -0.23 -0.56 0.00 0.00 0.00 0.00 54.91 53.74 3hqp h ALA 20 Cb 1.16 0.04 0.15 0.00 0.00 0.00 0.00 17.79 19.15 3hqp h ALA 20 CO 0.73 -0.13 0.37 0.00 0.00 0.00 0.00 179.25 180.23 3hqp n ALA 21 N -2.65 0.87 -2.53 0.00 0.00 -1.26 -0.77 120.51 114.16 3hqp n ALA 21 Ca -0.06 0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 3hqp n ALA 21 Cb 0.24 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.35 3hqp n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hqp s ARG 22 N -2.88 1.94 -0.18 0.00 1.81 -0.62 -4.92 118.95 114.10 3hqp s ARG 22 Ca 0.75 -1.24 -0.00 0.00 -1.72 0.00 0.00 55.73 53.52 3hqp s ARG 22 Cb -0.42 -2.14 0.01 0.00 -0.45 0.00 0.00 34.95 31.95 3hqp s ARG 22 CO 0.47 0.45 -0.15 0.42 -0.68 0.00 0.00 175.30 175.81 3hqp s ILE 23 N -1.48 2.51 -0.16 1.52 1.01 -1.26 -1.64 121.20 121.69 3hqp s ILE 23 Ca 0.22 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 3hqp s ILE 23 Cb -0.09 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 3hqp s ILE 23 CO 0.13 0.51 0.27 -0.63 0.00 0.00 0.00 174.94 175.22 3hqp s ILE 24 N 1.24 5.32 -0.08 2.92 1.01 -0.77 -1.38 121.20 129.45 3hqp s ILE 24 Ca 0.03 0.50 0.04 0.00 0.00 0.00 0.00 60.65 61.22 3hqp s ILE 24 Cb -0.14 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3hqp s ILE 24 CO -0.08 0.40 -0.21 0.00 0.00 0.00 0.00 174.94 175.05 3hqp s THR 26 N 0.02 5.05 -0.12 0.00 -4.23 -0.82 -0.41 115.64 115.14 3hqp s THR 26 Ca -0.08 1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 61.36 3hqp s THR 26 Cb -0.15 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.78 3hqp s THR 26 CO 0.05 0.39 0.39 -0.63 -0.54 0.00 0.00 174.62 174.29 3hqp s ILE 27 N 0.10 5.22 0.00 2.99 -1.09 -0.22 -2.63 121.20 125.57 3hqp s ILE 27 Ca 0.28 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 3hqp s ILE 27 Cb -0.17 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 3hqp s ILE 27 CO 0.14 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 3hqp n GLY 28 N 3.13 3.51 0.41 6.18 0.00 -1.24 -4.68 105.19 112.50 3hqp n GLY 28 Ca -0.10 -1.11 0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 0.39 0.00 1.61 0.11 -1.77 0.26 132.00 132.60 3hqp h PRO 29 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3hqp h PRO 29 Cb 0.00 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 3hqp h PRO 29 CO 0.00 0.26 -0.03 0.77 -0.21 0.00 0.00 178.00 178.79 3hqp h SER 30 N 0.40 0.00 0.00 -2.05 0.02 -1.50 -3.36 113.55 107.06 3hqp h SER 30 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3hqp h SER 30 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3hqp h SER 30 CO -0.22 0.03 0.00 0.35 -1.14 0.00 0.00 176.83 175.85 3hqp n THR 31 N -3.14 0.30 0.07 -2.27 -2.24 0.85 -4.88 114.28 102.97 3hqp n THR 31 Ca 0.00 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 3hqp n THR 31 Cb 0.31 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 0.06 -7.20 -0.78 4.15 -1.49 -3.33 115.11 106.53 3hqp h GLN 32 Ca 0.00 -0.10 -0.54 0.00 0.77 0.00 0.00 58.65 58.78 3hqp h GLN 32 Cb 0.60 0.04 0.18 0.00 0.21 0.00 0.00 27.48 28.51 3hqp h GLN 32 CO 0.00 1.02 0.35 -1.13 -1.93 0.00 0.00 178.83 177.14 3hqp n SER 33 N -3.42 1.12 0.10 -0.69 3.41 -1.26 -4.79 113.62 108.09 3hqp n SER 33 Ca -0.02 0.60 -0.01 0.00 -0.26 0.00 0.00 58.87 59.19 3hqp n SER 33 Cb 0.93 -1.52 0.27 0.00 -0.26 0.00 0.00 64.21 63.64 3hqp n SER 33 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3hqp h VAL 34 N -0.82 1.28 -0.51 -3.33 -1.51 -1.89 -2.01 116.25 107.47 3hqp h VAL 34 Ca -0.47 -1.34 -0.11 0.00 -1.23 0.00 0.00 66.70 63.55 3hqp h VAL 34 Cb 1.30 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 3hqp h VAL 34 CO 0.46 0.40 -0.13 -0.08 -1.23 0.00 0.00 177.57 176.99 3hqp h GLU 35 N 0.20 0.98 -0.52 5.19 4.57 -1.95 -0.54 114.58 122.51 3hqp h GLU 35 Ca 0.02 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.79 3hqp h GLU 35 Cb 0.70 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3hqp h GLU 35 CO 0.05 1.06 0.19 0.00 -1.18 0.00 0.00 179.01 179.13 3hqp h ALA 36 N 0.90 0.67 -0.66 2.92 0.00 -1.79 -2.35 119.26 118.95 3hqp h ALA 36 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 36 Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hqp h ALA 36 CO 0.05 0.30 0.39 -0.07 0.00 0.00 0.00 179.25 179.92 3hqp h LEU 37 N 0.70 0.80 -0.84 0.00 3.38 -1.17 -1.18 115.31 117.01 3hqp h LEU 37 Ca 0.17 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.19 3hqp h LEU 37 Cb 0.22 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3hqp h LEU 37 CO -0.01 0.64 0.45 0.11 0.09 0.00 0.00 178.44 179.72 3hqp h LYS 38 N 0.90 0.67 -0.59 1.13 1.57 -0.96 0.12 116.57 119.41 3hqp h LYS 38 Ca 0.24 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3hqp h LYS 38 Cb -0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3hqp h LYS 38 CO -0.04 0.45 0.35 0.78 -0.57 0.00 0.00 179.45 180.42 3hqp h GLY 39 N 0.69 0.86 0.96 3.86 0.00 -0.74 -1.40 103.07 107.30 3hqp h GLY 39 Ca 0.43 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3hqp h GLY 39 CO -0.31 0.35 0.21 1.41 0.00 0.00 0.00 176.54 178.19 3hqp h LEU 40 N 0.80 0.52 0.09 3.11 4.07 -0.41 0.29 115.31 123.78 3hqp h LEU 40 Ca 0.21 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3hqp h LEU 40 Cb -0.01 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 3hqp h LEU 40 CO -0.04 0.49 -0.05 0.40 -1.08 0.00 0.00 178.44 178.16 3hqp h ILE 41 N 0.52 0.88 0.00 1.22 2.04 -0.51 -0.31 117.51 121.36 3hqp h ILE 41 Ca 0.14 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 3hqp h ILE 41 Cb 0.10 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3hqp h ILE 41 CO -0.02 0.00 -0.26 1.56 0.00 0.00 0.00 178.15 179.43 3hqp h GLN 42 N -0.14 0.00 0.00 2.37 4.20 -1.18 -0.61 115.11 119.75 3hqp h GLN 42 Ca -0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3hqp h GLN 42 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hqp h GLN 42 CO 0.01 0.26 -0.22 0.77 -0.67 0.00 0.00 178.83 178.98 3hqp h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.60 -3.47 113.55 110.96 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 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3hqp h SER 43 CO 0.03 0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 3hqp n GLY 44 N 0.11 1.62 3.74 -3.77 0.00 -0.24 -4.16 105.19 102.49 3hqp n GLY 44 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 4.73 -0.03 1.61 -2.45 -0.22 -4.34 119.30 118.59 3hqp s MET 45 Ca 0.00 1.57 0.04 0.00 -1.25 0.00 0.00 55.69 56.05 3hqp s MET 45 Cb 0.00 -3.29 -0.05 0.00 1.25 0.00 0.00 34.83 32.74 3hqp s MET 45 CO 0.00 0.31 0.03 0.43 1.05 0.00 0.00 175.02 176.84 3hqp n SER 46 N 1.94 3.99 -4.01 1.11 7.64 -0.48 -4.60 113.62 119.21 3hqp n SER 46 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 3hqp n SER 46 Cb 0.47 0.73 -0.17 0.00 -1.01 0.00 0.00 64.21 64.23 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 -2.14 1.21 -0.23 0.44 1.01 -1.10 -1.84 120.40 117.75 3hqp s VAL 47 Ca -0.02 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3hqp s VAL 47 Cb 0.02 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3hqp s VAL 47 CO 0.17 0.38 0.41 0.00 0.00 0.00 0.00 175.10 176.06 3hqp s ALA 48 N 0.96 3.57 -0.20 5.51 0.00 -0.17 -0.95 121.76 130.47 3hqp s ALA 48 Ca -0.09 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 3hqp s ALA 48 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 3hqp s ALA 48 CO -0.00 -0.49 0.08 0.50 0.00 0.00 0.00 175.76 175.85 3hqp s ARG 49 N 1.73 3.95 -0.33 0.00 3.52 0.45 -0.99 118.95 127.28 3hqp s ARG 49 Ca 0.18 -0.35 -0.10 0.00 -0.13 0.00 0.00 55.73 55.33 3hqp s ARG 49 Cb -0.15 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3hqp s ARG 49 CO 0.09 0.17 0.17 -1.64 -0.81 0.00 0.00 175.30 173.28 3hqp s MET 50 N 0.67 3.18 -0.43 5.12 -1.94 0.14 -1.05 119.30 124.99 3hqp s MET 50 Ca 0.04 -0.83 -0.27 0.00 -1.71 0.00 0.00 55.69 52.92 3hqp s MET 50 Cb -0.13 -3.62 0.02 0.00 2.01 0.00 0.00 34.83 33.11 3hqp s MET 50 CO 0.02 -0.51 0.99 1.21 -0.01 0.00 0.00 175.02 176.72 3hqp s ASN 51 N 1.60 6.61 0.00 3.03 3.84 -1.26 -0.09 114.94 128.66 3hqp s ASN 51 Ca 0.04 0.39 0.20 0.00 0.21 0.00 0.00 52.86 53.70 3hqp s ASN 51 Cb -0.18 -2.48 0.94 0.00 -0.55 0.00 0.00 41.25 38.98 3hqp s ASN 51 CO 0.06 -1.04 1.64 0.49 -2.79 0.00 0.00 177.10 175.47 3hqp n PHE 52 N 7.21 0.10 0.36 0.43 3.01 0.45 -2.65 117.46 126.38 3hqp n PHE 52 Ca 0.08 -0.05 0.14 0.00 1.01 0.00 0.00 57.45 58.63 3hqp n PHE 52 Cb 0.48 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.44 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 1.18 0.00 -4.05 4.37 0.02 -1.84 -3.42 113.55 109.82 3hqp h SER 53 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3hqp h SER 53 Cb 0.26 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.60 3hqp h SER 53 CO 0.00 0.00 -0.78 -1.00 -1.14 0.00 0.00 176.83 173.91 3hqp s HIS 54 N -3.39 1.54 0.30 3.45 3.76 -1.08 -5.04 115.29 114.83 3hqp s HIS 54 Ca 0.05 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3hqp s HIS 54 Cb 0.09 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 32.96 3hqp s HIS 54 CO 0.53 0.18 0.00 0.41 -0.85 0.00 0.00 174.74 175.01 3hqp n GLY 55 N 0.73 -3.18 3.94 -2.22 0.00 -1.26 -4.83 105.19 98.37 3hqp n GLY 55 Ca -0.17 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.98 4.15 0.33 1.61 1.04 -1.26 -4.93 113.70 109.66 3hqp s SER 56 Ca 0.00 0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.73 3hqp s SER 56 Cb 0.00 -0.64 0.66 0.00 0.10 0.00 0.00 66.02 66.14 3hqp s SER 56 CO 0.00 -2.04 1.90 0.45 0.98 0.00 0.00 173.24 174.53 3hqp h HIS 57 N -0.96 0.94 -0.38 5.02 -0.00 -1.99 -2.31 115.15 115.47 3hqp h HIS 57 Ca -0.43 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 59.88 3hqp h HIS 57 Cb 1.28 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.37 3hqp h HIS 57 CO -0.25 0.43 -0.11 1.49 -0.00 0.00 0.00 177.93 179.50 3hqp h GLU 58 N 0.87 0.67 -0.31 2.45 4.81 -1.99 -0.08 114.58 121.00 3hqp h GLU 58 Ca 0.41 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3hqp h GLU 58 Cb 0.41 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3hqp h GLU 58 CO -0.17 0.76 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.91 3hqp h TYR 59 N 0.61 0.63 0.00 0.92 3.20 -1.83 -3.08 116.97 117.41 3hqp h TYR 59 Ca 0.11 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3hqp h TYR 59 Cb 0.54 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 3hqp h TYR 59 CO 0.02 0.73 -0.13 0.45 -1.64 0.00 0.00 178.16 177.59 3hqp h HIS 60 N 0.35 0.00 -0.47 -3.82 3.86 -1.20 -2.40 115.15 111.47 3hqp h HIS 60 Ca 0.08 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 3hqp h HIS 60 Cb 0.50 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3hqp h HIS 60 CO 0.04 0.13 0.11 0.37 0.86 0.00 0.00 177.93 179.44 3hqp h GLN 61 N 0.00 0.70 -0.12 2.45 5.75 -0.98 -1.42 115.11 121.49 3hqp h GLN 61 Ca -0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3hqp h GLN 61 Cb 0.82 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 3hqp h GLN 61 CO 0.02 0.64 -0.00 1.15 -2.65 0.00 0.00 178.83 177.99 3hqp h THR 62 N 0.68 1.25 -0.20 2.39 2.02 -1.35 -1.45 112.91 116.26 3hqp h THR 62 Ca 0.15 -0.82 0.06 0.00 0.77 0.00 0.00 66.41 66.57 3hqp h THR 62 Cb 0.26 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 3hqp h THR 62 CO -0.00 0.24 -0.23 0.74 0.37 0.00 0.00 175.52 176.64 3hqp h THR 63 N -0.07 0.43 -0.08 3.16 2.02 -1.40 0.36 112.91 117.34 3hqp h THR 63 Ca 0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.25 3hqp h THR 63 Cb 0.36 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3hqp h THR 63 CO 0.01 0.00 -0.23 0.40 0.37 0.00 0.00 175.52 176.07 3hqp h ILE 64 N -0.25 0.45 -0.65 3.11 2.04 -1.15 0.37 117.51 121.42 3hqp h ILE 64 Ca 0.12 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 3hqp h ILE 64 Cb 0.44 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3hqp h ILE 64 CO -0.34 0.00 0.21 0.78 0.00 0.00 0.00 178.15 178.79 3hqp h ASN 65 N -0.32 0.92 -0.14 1.72 2.35 -1.07 -2.01 115.58 117.03 3hqp h ASN 65 Ca 0.09 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.53 3hqp h ASN 65 Cb 0.44 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3hqp h ASN 65 CO -0.26 0.86 -0.49 0.78 -1.65 0.00 0.00 177.43 176.66 3hqp h ASN 66 N 0.96 0.68 -0.28 5.81 4.21 -0.43 -1.21 115.58 125.32 3hqp h ASN 66 Ca 0.21 -0.61 0.05 0.00 1.21 0.00 0.00 56.30 57.16 3hqp h ASN 66 Cb 0.27 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.23 3hqp h ASN 66 CO -0.01 1.17 0.01 0.58 -1.29 0.00 0.00 177.43 177.89 3hqp h VAL 67 N 0.22 0.81 -0.20 2.81 2.07 -0.20 -0.22 116.25 121.53 3hqp h VAL 67 Ca -0.02 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3hqp h VAL 67 Cb 1.12 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3hqp h VAL 67 CO 0.10 0.02 -0.17 0.03 0.02 0.00 0.00 177.57 177.57 3hqp h ARG 68 N 0.09 0.35 -0.04 1.57 3.08 -1.31 0.10 114.38 118.23 3hqp h ARG 68 Ca 0.13 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3hqp h ARG 68 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3hqp h ARG 68 CO -0.22 0.51 -0.09 0.37 -1.07 0.00 0.00 179.97 179.48 3hqp h GLN 69 N 0.32 0.13 -0.17 0.04 4.15 -0.92 -2.18 115.11 116.47 3hqp h GLN 69 Ca 0.06 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.44 3hqp h GLN 69 Cb 0.49 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 3hqp h GLN 69 CO 0.03 0.68 -0.17 0.00 -1.93 0.00 0.00 178.83 177.44 3hqp h ALA 70 N 0.45 -0.07 -0.81 3.38 0.00 -0.82 -1.24 119.26 120.15 3hqp h ALA 70 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hqp h ALA 70 Cb 0.68 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3hqp h ALA 70 CO 0.02 -0.61 0.45 0.00 0.00 0.00 0.00 179.25 179.11 3hqp h ALA 71 N 0.88 1.04 -0.56 0.00 0.00 -0.87 -2.58 119.26 117.17 3hqp h ALA 71 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hqp h ALA 71 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hqp h ALA 71 CO -0.29 0.54 0.18 0.00 0.00 0.00 0.00 179.25 179.67 3hqp h ALA 72 N 1.24 0.73 -0.13 0.00 0.00 -1.01 0.44 119.26 120.52 3hqp h ALA 72 Ca 0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3hqp h ALA 72 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hqp h ALA 72 CO -0.05 0.39 -0.41 0.93 0.00 0.00 0.00 179.25 180.11 3hqp h GLU 73 N 0.78 0.29 0.00 0.00 5.08 -1.15 -2.50 114.58 117.08 3hqp h GLU 73 Ca 0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hqp h GLU 73 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hqp h GLU 73 CO -0.01 0.65 -0.29 1.28 -1.00 0.00 0.00 179.01 179.65 3hqp n LEU 74 N -4.03 0.34 -1.23 1.33 4.77 -0.98 -4.96 117.00 112.24 3hqp n LEU 74 Ca -0.01 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 3hqp n LEU 74 Cb 0.48 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3hqp n LEU 74 CO 0.42 0.05 0.04 0.61 -1.33 0.00 0.00 177.39 177.18 3hqp n GLY 75 N 1.48 0.46 3.39 -0.72 0.00 -0.06 -5.06 105.19 104.66 3hqp n GLY 75 Ca 0.06 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.93 1.05 -0.33 1.61 -7.23 -0.06 -5.02 120.40 107.49 3hqp s VAL 76 Ca 0.13 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.24 3hqp s VAL 76 Cb -0.06 -2.60 0.05 0.00 0.56 0.00 0.00 36.38 34.33 3hqp s VAL 76 CO 0.16 -0.12 0.07 0.20 -0.31 0.00 0.00 175.10 175.11 3hqp s ASN 77 N -3.40 5.13 -0.13 4.85 0.01 -1.26 -4.30 114.94 115.85 3hqp s ASN 77 Ca 0.34 -1.32 -0.04 0.00 -0.71 0.00 0.00 52.86 51.12 3hqp s ASN 77 Cb 0.07 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 3hqp s ASN 77 CO 0.13 -0.33 0.02 -0.63 -1.51 0.00 0.00 177.10 174.78 3hqp s ILE 78 N 1.30 4.44 0.42 0.60 -1.09 -1.26 -4.67 121.20 120.95 3hqp s ILE 78 Ca -0.02 -0.18 -0.22 0.00 -2.23 0.00 0.00 60.65 58.00 3hqp s ILE 78 Cb -0.20 -2.92 -0.10 0.00 -1.58 0.00 0.00 42.46 37.65 3hqp s ILE 78 CO 0.00 0.55 0.97 0.00 -1.23 0.00 0.00 174.94 175.23 3hqp s ALA 79 N -0.34 3.04 -0.16 9.38 0.00 -0.77 -4.91 121.76 128.00 3hqp s ALA 79 Ca 0.07 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3hqp s ALA 79 Cb -0.12 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3hqp s ALA 79 CO 0.02 0.05 -0.20 0.42 0.00 0.00 0.00 175.76 176.05 3hqp s ILE 80 N -2.06 2.12 -0.13 0.00 1.01 -1.26 -1.00 121.20 119.87 3hqp s ILE 80 Ca 0.61 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 3hqp s ILE 80 Cb -0.12 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3hqp s ILE 80 CO 0.16 0.54 -0.12 0.00 0.00 0.00 0.00 174.94 175.52 3hqp s ALA 81 N 1.04 2.66 -0.36 9.38 0.00 -0.16 -1.84 121.76 132.49 3hqp s ALA 81 Ca -0.01 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 3hqp s ALA 81 Cb -0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3hqp s ALA 81 CO -0.07 0.23 0.31 -1.17 0.00 0.00 0.00 175.76 175.07 3hqp s LEU 82 N 0.37 4.59 -0.33 0.00 0.20 -0.55 -0.68 118.68 122.27 3hqp s LEU 82 Ca -0.10 -0.42 -0.17 0.00 0.69 0.00 0.00 54.13 54.12 3hqp s LEU 82 Cb -0.16 -2.24 -0.01 0.00 -0.43 0.00 0.00 46.19 43.35 3hqp s LEU 82 CO 0.05 -0.33 0.48 -0.62 -0.29 0.00 0.00 176.35 175.64 3hqp s ASP 83 N 1.73 6.31 0.59 3.68 -1.08 0.87 -0.57 116.67 128.19 3hqp s ASP 83 Ca 0.09 0.04 -0.14 0.00 -0.52 0.00 0.00 52.55 52.01 3hqp s ASP 83 Cb -0.17 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 3hqp s ASP 83 CO 0.11 -0.42 1.03 0.42 0.52 0.00 0.00 175.17 176.83 3hqp s THR 84 N 2.31 4.31 0.09 1.71 -4.23 -0.87 -0.41 115.64 118.55 3hqp s THR 84 Ca 0.18 0.96 -0.26 0.00 -1.18 0.00 0.00 61.69 61.39 3hqp s THR 84 Cb -0.16 -3.62 -0.14 0.00 1.34 0.00 0.00 72.50 69.92 3hqp s THR 84 CO 0.12 -0.78 1.70 0.11 -0.54 0.00 0.00 174.62 175.23 3hqp h LYS 85 N 0.24 -0.29 0.00 3.99 1.57 -1.92 -3.38 116.57 116.78 3hqp h LYS 85 Ca -0.46 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.39 3hqp h LYS 85 Cb 1.20 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3hqp h LYS 85 CO 0.60 -0.19 -0.06 0.41 -0.57 0.00 0.00 179.45 179.64 3hqp n GLY 86 N -1.24 -1.65 3.25 3.86 0.00 -1.26 -4.26 105.19 103.90 3hqp n GLY 86 Ca -0.08 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.35 2.44 -4.47 1.61 -0.02 -1.26 -4.92 135.00 127.02 3hqp n PRO 87 Ca 0.00 -2.65 -0.24 0.00 -2.02 0.00 0.00 63.50 58.60 3hqp n PRO 87 Cb 0.07 -3.38 -0.10 0.00 -0.02 0.00 0.00 33.50 30.08 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 4.56 1.66 -0.12 -0.52 -1.05 -1.26 -4.97 118.70 117.00 3hqp s GLU 88 Ca 0.56 -1.80 0.01 0.00 -0.15 0.00 0.00 54.97 53.59 3hqp s GLU 88 Cb 0.08 -1.61 -0.01 0.00 -0.44 0.00 0.00 34.13 32.14 3hqp s GLU 88 CO 0.05 0.23 -0.16 0.42 0.95 0.00 0.00 175.26 176.75 3hqp s ILE 89 N -2.64 2.76 0.20 1.83 1.01 -1.26 -4.95 121.20 118.15 3hqp s ILE 89 Ca 0.30 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 60.27 3hqp s ILE 89 Cb -0.02 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3hqp s ILE 89 CO 0.14 0.53 -0.17 -0.13 0.00 0.00 0.00 174.94 175.31 3hqp s ARG 90 N 0.37 1.38 0.80 2.79 1.81 -1.26 -0.71 118.95 124.13 3hqp s ARG 90 Ca -0.13 -1.54 -0.10 0.00 -1.72 0.00 0.00 55.73 52.23 3hqp s ARG 90 Cb -0.16 -1.36 0.11 0.00 -0.45 0.00 0.00 34.95 33.08 3hqp s ARG 90 CO 0.06 0.26 1.14 0.95 -0.68 0.00 0.00 175.30 177.03 3hqp s THR 91 N -2.45 2.10 0.00 0.02 -4.23 -0.28 -1.66 115.64 109.15 3hqp s THR 91 Ca 0.21 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3hqp s THR 91 Cb -0.04 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3hqp s THR 91 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 3hqp n GLY 92 N -3.26 -0.74 3.89 3.99 0.00 -0.22 -3.82 105.19 105.03 3hqp n GLY 92 Ca 0.10 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.93 3.44 0.08 1.61 -0.21 0.79 -1.80 119.66 121.64 3hqp s GLN 93 Ca 0.00 0.40 0.09 0.00 0.02 0.00 0.00 55.36 55.87 3hqp s GLN 93 Cb 0.00 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 3hqp s GLN 93 CO 0.00 -0.46 -0.23 -0.06 -2.12 0.00 0.00 175.29 172.43 3hqp s PHE 94 N -2.98 2.43 -0.01 0.91 0.08 -1.26 -1.40 117.98 115.74 3hqp s PHE 94 Ca 0.52 -0.33 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 3hqp s PHE 94 Cb -0.11 -1.36 -0.06 0.00 -0.57 0.00 0.00 43.02 40.92 3hqp s PHE 94 CO 0.49 0.27 1.58 0.08 -0.10 0.00 0.00 175.22 177.54 3hqp s VAL 95 N -0.98 3.50 0.00 -0.44 1.01 -0.20 -1.64 120.40 121.65 3hqp s VAL 95 Ca 0.14 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3hqp s VAL 95 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3hqp s VAL 95 CO 0.06 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3hqp n GLY 96 N 3.96 0.62 2.19 4.51 0.00 -1.26 -4.17 105.19 111.04 3hqp n GLY 96 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.75 3.15 3.54 -0.02 0.00 -0.65 -4.98 105.19 103.48 3hqp n GLY 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.09 -0.11 -0.04 1.61 3.84 -1.26 -2.86 116.67 116.76 3hqp s ASP 98 Ca 0.00 -0.81 0.01 0.00 -0.00 0.00 0.00 52.55 51.75 3hqp s ASP 98 Cb 0.00 0.56 0.02 0.00 -1.38 0.00 0.00 42.92 42.13 3hqp s ASP 98 CO 0.00 -1.08 -0.02 0.00 -0.00 0.00 0.00 175.17 174.06 3hqp s ALA 99 N -3.97 0.53 -0.49 2.11 0.00 -0.12 -4.60 121.76 115.23 3hqp s ALA 99 Ca 0.18 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 3hqp s ALA 99 Cb -0.00 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.75 3hqp s ALA 99 CO 0.05 -0.07 0.75 0.08 0.00 0.00 0.00 175.76 176.56 3hqp s VAL 100 N 1.03 4.69 -0.13 0.00 1.01 -1.26 -1.30 120.40 124.44 3hqp s VAL 100 Ca -0.10 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 3hqp s VAL 100 Cb -0.14 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3hqp s VAL 100 CO -0.01 -0.80 0.33 -0.04 0.00 0.00 0.00 175.10 174.58 3hqp s MET 101 N 3.17 4.16 -0.04 2.72 -1.94 -0.86 -4.83 119.30 121.68 3hqp s MET 101 Ca 0.24 0.19 0.05 0.00 -1.71 0.00 0.00 55.69 54.46 3hqp s MET 101 Cb -0.14 -3.38 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 3hqp s MET 101 CO 0.18 0.33 -0.18 -1.21 -0.01 0.00 0.00 175.02 174.13 3hqp s GLU 102 N 0.15 2.39 -0.08 2.03 2.02 -1.26 -1.33 118.70 122.62 3hqp s GLU 102 Ca 0.19 -0.78 -0.32 0.00 0.02 0.00 0.00 54.97 54.08 3hqp s GLU 102 Cb -0.14 -2.27 -0.10 0.00 0.10 0.00 0.00 34.13 31.73 3hqp s GLU 102 CO 0.06 0.59 1.99 -2.13 0.02 0.00 0.00 175.26 175.79 3hqp n ARG 103 N 2.38 2.33 0.00 1.61 0.63 -1.26 -1.85 116.66 120.51 3hqp n ARG 103 Ca -0.17 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 3hqp n ARG 103 Cb 0.52 -2.86 0.00 0.00 0.45 0.00 0.00 32.46 30.57 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 4.80 2.59 3.77 5.14 0.00 -0.21 -4.96 105.19 116.33 3hqp n GLY 104 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.34 2.60 -0.32 4.61 0.00 -0.77 -4.76 121.76 120.79 3hqp s ALA 105 Ca 0.00 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 3hqp s ALA 105 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3hqp s ALA 105 CO 0.00 -0.98 0.09 -0.08 0.00 0.00 0.00 175.76 174.79 3hqp s THR 106 N -2.00 3.88 0.31 0.00 -1.32 -1.26 -0.32 115.64 114.92 3hqp s THR 106 Ca 0.70 -0.90 0.09 0.00 -1.21 0.00 0.00 61.69 60.38 3hqp s THR 106 Cb -0.23 -3.09 -0.05 0.00 -1.51 0.00 0.00 72.50 67.63 3hqp s THR 106 CO 0.33 -0.04 0.01 0.00 -2.21 0.00 0.00 174.62 172.71 3hqp s TYR 108 N -2.43 3.16 -0.02 0.00 2.02 0.95 -0.38 117.35 120.64 3hqp s TYR 108 Ca 0.34 -2.09 -0.20 0.00 -0.37 0.00 0.00 57.07 54.75 3hqp s TYR 108 Cb -0.03 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.52 3hqp s TYR 108 CO 0.20 -0.85 0.57 0.14 -1.57 0.00 0.00 175.55 174.04 3hqp s VAL 109 N 1.17 4.96 0.04 0.71 -7.23 -0.98 -1.93 120.40 117.13 3hqp s VAL 109 Ca -0.05 1.19 0.05 0.00 -1.81 0.00 0.00 61.98 61.36 3hqp s VAL 109 Cb -0.18 -3.91 -0.02 0.00 0.56 0.00 0.00 36.38 32.83 3hqp s VAL 109 CO -0.06 0.41 -0.15 0.28 -0.31 0.00 0.00 175.10 175.27 3hqp s THR 110 N -0.11 1.20 -0.76 5.32 -1.32 -0.32 -1.27 115.64 118.39 3hqp s THR 110 Ca 0.30 -1.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.02 3hqp s THR 110 Cb -0.18 -1.08 0.05 0.00 -1.51 0.00 0.00 72.50 69.78 3hqp s THR 110 CO 0.16 0.06 1.38 0.41 -2.21 0.00 0.00 174.62 174.42 3hqp n THR 111 N 1.94 0.24 -1.88 5.08 -1.04 -0.73 -1.43 114.28 116.46 3hqp n THR 111 Ca -0.18 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 3hqp n THR 111 Cb 0.54 -0.05 -0.03 0.00 -1.82 0.00 0.00 70.33 68.98 3hqp n THR 111 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hqp s ASP 112 N -3.82 6.40 0.00 8.00 3.68 -1.26 -4.88 116.67 124.78 3hqp s ASP 112 Ca 0.08 2.20 0.20 0.00 2.13 0.00 0.00 52.55 57.15 3hqp s ASP 112 Cb 0.15 -2.53 1.04 0.00 -1.45 0.00 0.00 42.92 40.13 3hqp s ASP 112 CO 0.70 -1.15 1.59 -0.81 0.13 0.00 0.00 175.17 175.63 3hqp n PRO 113 N 7.55 0.39 0.25 4.34 -0.04 -1.26 -2.44 135.00 143.78 3hqp n PRO 113 Ca 0.20 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 3hqp n PRO 113 Cb 0.43 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 32.99 3hqp n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hqp h ALA 114 N 3.02 1.10 -0.13 0.55 0.00 -2.00 -2.93 119.26 118.87 3hqp h ALA 114 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hqp h ALA 114 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hqp h ALA 114 CO 0.00 0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.63 3hqp n PHE 115 N -3.42 0.15 0.28 0.00 3.01 -1.02 -4.45 117.46 112.00 3hqp n PHE 115 Ca -0.01 -0.07 0.13 0.00 1.01 0.00 0.00 57.45 58.51 3hqp n PHE 115 Cb 0.34 0.00 0.80 0.00 -0.01 0.00 0.00 39.48 40.61 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 4.48 1.54 -0.01 4.37 0.00 -1.68 -2.60 119.26 125.37 3hqp h ALA 116 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 116 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3hqp h ALA 116 CO 0.00 0.06 -0.36 -0.40 0.00 0.00 0.00 179.25 178.54 3hqp n ASP 117 N -3.93 1.30 -2.61 0.00 5.75 -1.26 -0.15 116.55 115.65 3hqp n ASP 117 Ca -0.03 -1.15 -0.13 0.00 -0.01 0.00 0.00 54.79 53.47 3hqp n ASP 117 Cb 0.13 0.58 0.02 0.00 -1.03 0.00 0.00 41.12 40.83 3hqp n ASP 117 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3hqp n LYS 118 N -0.41 1.86 -2.55 0.11 2.85 -0.98 -4.64 118.16 114.39 3hqp n LYS 118 Ca 0.05 -3.63 -0.37 0.00 -1.05 0.00 0.00 58.31 53.32 3hqp n LYS 118 Cb 0.28 -1.56 -0.04 0.00 -0.65 0.00 0.00 35.03 33.05 3hqp n LYS 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqp s GLY 119 N -3.30 2.78 0.29 2.58 0.00 -0.49 -4.77 107.32 104.41 3hqp s GLY 119 Ca 0.33 0.71 0.02 0.00 0.00 0.00 0.00 44.72 45.79 3hqp s GLY 119 CO -0.03 1.16 0.10 -0.51 0.00 0.00 0.00 173.10 173.82 3hqp s THR 120 N -1.60 0.70 0.51 0.90 -4.23 0.63 -1.03 115.64 111.51 3hqp s THR 120 Ca 0.56 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.42 3hqp s THR 120 Cb -0.23 -2.64 0.36 0.00 1.34 0.00 0.00 72.50 71.33 3hqp s THR 120 CO 0.29 0.00 2.09 0.07 -0.54 0.00 0.00 174.62 176.53 3hqp h LYS 121 N 2.25 0.00 0.02 3.99 2.10 -1.90 -2.56 116.57 120.46 3hqp h LYS 121 Ca -0.38 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.93 3hqp h LYS 121 Cb 1.25 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.52 3hqp h LYS 121 CO 0.62 0.00 -2.03 -0.25 -2.00 0.00 0.00 179.45 175.78 3hqp n ASP 122 N -2.85 0.83 -3.66 7.07 8.00 -1.26 -4.69 116.55 119.99 3hqp n ASP 122 Ca -0.02 0.21 -0.06 0.00 0.71 0.00 0.00 54.79 55.63 3hqp n ASP 122 Cb 0.16 0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.55 0.45 0.16 -1.24 2.20 -0.96 -0.04 119.74 117.76 3hqp s LYS 123 Ca -0.11 1.19 -0.10 0.00 -0.36 0.00 0.00 55.97 56.59 3hqp s LYS 123 Cb 0.07 0.49 -0.00 0.00 -1.51 0.00 0.00 37.83 36.88 3hqp s LYS 123 CO 0.80 -0.22 0.31 -0.59 -0.36 0.00 0.00 175.35 175.29 3hqp s PHE 124 N 2.56 0.30 0.20 4.03 -0.71 -0.81 -0.27 117.98 123.28 3hqp s PHE 124 Ca -0.04 -0.67 -0.18 0.00 -1.04 0.00 0.00 56.93 55.00 3hqp s PHE 124 Cb -0.11 0.01 -0.08 0.00 -1.21 0.00 0.00 43.02 41.63 3hqp s PHE 124 CO -0.16 -0.73 0.66 -0.47 -1.34 0.00 0.00 175.22 173.19 3hqp s TYR 125 N -3.95 3.62 -0.06 3.49 5.04 -1.26 -1.17 117.35 123.06 3hqp s TYR 125 Ca 0.15 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 3hqp s TYR 125 Cb 0.03 -2.53 0.02 0.00 0.35 0.00 0.00 41.96 39.83 3hqp s TYR 125 CO -0.01 0.36 -0.04 0.42 -1.34 0.00 0.00 175.55 174.94 3hqp s ILE 126 N -1.52 0.59 -2.00 3.14 1.01 -0.51 -1.06 121.20 120.85 3hqp s ILE 126 Ca 0.42 -0.09 0.30 0.00 0.00 0.00 0.00 60.65 61.28 3hqp s ILE 126 Cb -0.16 -0.65 0.85 0.00 0.01 0.00 0.00 42.46 42.51 3hqp s ILE 126 CO 0.20 0.26 2.14 -0.90 0.00 0.00 0.00 174.94 176.65 3hqp n ASP 127 N 4.52 0.00 -4.61 3.58 5.68 -0.66 -4.43 116.55 120.62 3hqp n ASP 127 Ca -0.17 -1.03 -0.43 0.00 -0.50 0.00 0.00 54.79 52.66 3hqp n ASP 127 Cb 0.50 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.46 3hqp n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hqp s TYR 128 N -2.00 2.92 0.23 2.11 5.04 -1.26 -4.94 117.35 119.46 3hqp s TYR 128 Ca 0.45 0.85 -0.06 0.00 -2.44 0.00 0.00 57.07 55.87 3hqp s TYR 128 Cb 0.21 -4.19 0.40 0.00 0.35 0.00 0.00 41.96 38.72 3hqp s TYR 128 CO 0.35 -1.11 1.75 1.96 -1.34 0.00 0.00 175.55 177.16 3hqp h GLN 129 N 8.87 0.49 -0.85 4.97 1.08 -1.94 -2.58 115.11 125.15 3hqp h GLN 129 Ca -0.22 -0.03 -0.58 0.00 -1.45 0.00 0.00 58.65 56.36 3hqp h GLN 129 Cb 1.06 -0.11 -0.33 0.00 -0.05 0.00 0.00 27.48 28.05 3hqp h GLN 129 CO 1.09 0.33 0.13 0.27 -0.95 0.00 0.00 178.83 179.70 3hqp n ASN 130 N -4.94 6.07 -0.23 1.46 6.94 -1.26 -4.69 115.26 118.60 3hqp n ASN 130 Ca 0.13 -3.77 -0.00 0.00 -0.02 0.00 0.00 54.58 50.91 3hqp n ASN 130 Cb 0.35 -0.70 0.11 0.00 -2.36 0.00 0.00 39.78 37.18 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 1.95 0.49 -2.35 -4.53 5.85 -1.86 -2.27 115.31 112.60 3hqp h LEU 131 Ca 0.49 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 3hqp h LEU 131 Cb 1.24 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 3hqp h LEU 131 CO 1.16 0.30 -0.04 0.28 -0.34 0.00 0.00 178.44 179.80 3hqp h SER 132 N 0.63 0.00 1.16 1.25 0.02 -1.86 -0.96 113.55 113.79 3hqp h SER 132 Ca 0.32 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.12 3hqp h SER 132 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3hqp h SER 132 CO -0.22 0.04 -0.88 0.11 -1.14 0.00 0.00 176.83 174.73 3hqp h LYS 133 N 0.00 0.00 0.11 3.45 1.57 -1.78 -3.39 116.57 116.53 3hqp h LYS 133 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 3hqp h LYS 133 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hqp h LYS 133 CO 0.01 0.52 -1.55 0.28 -0.57 0.00 0.00 179.45 178.14 3hqp h VAL 134 N 0.00 1.13 -3.53 0.50 2.07 -0.94 -3.46 116.25 112.00 3hqp h VAL 134 Ca -0.06 -2.78 -0.67 0.00 0.82 0.00 0.00 66.70 64.00 3hqp h VAL 134 Cb 1.53 2.73 -0.16 0.00 -1.52 0.00 0.00 31.29 33.86 3hqp h VAL 134 CO 0.07 0.81 -0.68 0.68 0.02 0.00 0.00 177.57 178.46 3hqp s VAL 135 N -2.62 3.81 0.29 2.57 -7.23 -1.09 -5.06 120.40 111.07 3hqp s VAL 135 Ca -0.09 -0.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.47 3hqp s VAL 135 Cb 0.07 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3hqp s VAL 135 CO 0.85 0.42 0.25 -0.13 -0.31 0.00 0.00 175.10 176.17 3hqp s ARG 136 N -1.38 2.86 0.17 4.82 0.52 -1.26 -4.90 118.95 119.78 3hqp s ARG 136 Ca 0.17 -1.15 -0.33 0.00 -0.52 0.00 0.00 55.73 53.91 3hqp s ARG 136 Cb -0.11 -2.54 -0.16 0.00 0.52 0.00 0.00 34.95 32.66 3hqp s ARG 136 CO 0.07 0.27 1.18 -2.30 0.02 0.00 0.00 175.30 174.54 3hqp n PRO 137 N -1.28 1.21 0.00 3.54 -0.02 -1.26 -2.15 135.00 135.04 3hqp n PRO 137 Ca -0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3hqp n PRO 137 Cb 0.59 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 2.02 2.79 3.77 -1.23 0.00 0.12 -4.97 105.19 107.69 3hqp n GLY 138 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 0.35 4.47 -0.03 1.61 0.02 -0.91 -4.68 114.94 115.76 3hqp s ASN 139 Ca 0.00 1.78 -0.02 0.00 -1.02 0.00 0.00 52.86 53.60 3hqp s ASN 139 Cb 0.00 -2.49 -0.04 0.00 0.02 0.00 0.00 41.25 38.75 3hqp s ASN 139 CO 0.00 -2.05 0.10 -0.31 0.02 0.00 0.00 177.10 174.86 3hqp s TYR 140 N -2.92 3.36 -0.21 2.20 2.02 -1.26 -1.36 117.35 119.18 3hqp s TYR 140 Ca 0.61 0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 57.56 3hqp s TYR 140 Cb -0.17 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3hqp s TYR 140 CO 0.56 0.58 -0.10 0.42 -1.57 0.00 0.00 175.55 175.45 3hqp s ILE 141 N -1.17 2.93 -0.20 2.71 1.01 0.13 -4.94 121.20 121.67 3hqp s ILE 141 Ca 0.22 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 3hqp s ILE 141 Cb -0.12 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 3hqp s ILE 141 CO 0.13 0.46 0.41 -0.31 0.00 0.00 0.00 174.94 175.63 3hqp s TYR 142 N 1.40 3.38 -0.04 3.97 1.51 -1.14 -1.22 117.35 125.21 3hqp s TYR 142 Ca 0.05 0.65 0.06 0.00 -1.01 0.00 0.00 57.07 56.82 3hqp s TYR 142 Cb -0.14 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.16 3hqp s TYR 142 CO -0.06 -0.00 -0.24 0.42 -1.11 0.00 0.00 175.55 174.56 3hqp s ILE 143 N 1.28 2.23 -0.64 2.71 -1.09 0.18 -1.53 121.20 124.35 3hqp s ILE 143 Ca 0.20 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.58 3hqp s ILE 143 Cb -0.15 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 38.91 3hqp s ILE 143 CO 0.08 0.58 0.58 -0.67 -1.23 0.00 0.00 174.94 174.28 3hqp n ASP 144 N 2.67 -5.95 -4.20 3.58 2.03 0.46 -1.22 116.55 113.93 3hqp n ASP 144 Ca -0.17 -0.24 -0.36 0.00 0.52 0.00 0.00 54.79 54.54 3hqp n ASP 144 Cb 0.52 -4.10 -0.02 0.00 -0.72 0.00 0.00 41.12 36.79 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 -2.05 -3.46 -0.41 1.67 8.00 -1.26 -1.61 116.55 117.42 3hqp n ASP 145 Ca -0.02 -0.99 -0.05 0.00 0.71 0.00 0.00 54.79 54.44 3hqp n ASP 145 Cb 0.54 -2.83 -0.02 0.00 -0.02 0.00 0.00 41.12 38.79 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 -1.40 0.68 0.27 0.44 0.00 -1.05 -4.79 105.19 99.34 3hqp n GLY 146 Ca 0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 1.25 -3.25 -0.61 2.04 -0.86 -3.42 117.51 112.66 3hqp h ILE 147 Ca -0.11 -0.94 -0.63 0.00 1.00 0.00 0.00 64.86 64.17 3hqp h ILE 147 Cb 0.72 0.77 -0.16 0.00 -0.74 0.00 0.00 36.82 37.41 3hqp h ILE 147 CO 0.16 0.35 -0.59 -0.22 0.00 0.00 0.00 178.15 177.85 3hqp s LEU 148 N -9.53 3.70 -0.12 1.44 2.96 -0.35 -4.98 118.68 111.80 3hqp s LEU 148 Ca -0.12 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3hqp s LEU 148 Cb 0.13 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 3hqp s LEU 148 CO 0.82 0.23 -0.21 -0.63 -1.32 0.00 0.00 176.35 175.24 3hqp s ILE 149 N 0.05 2.31 -0.06 6.68 1.01 -1.26 0.50 121.20 130.43 3hqp s ILE 149 Ca 0.04 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3hqp s ILE 149 Cb -0.12 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3hqp s ILE 149 CO 0.01 0.55 -0.05 -0.76 0.00 0.00 0.00 174.94 174.69 3hqp s LEU 150 N 0.44 3.28 -0.24 2.97 1.43 -0.36 -1.94 118.68 124.26 3hqp s LEU 150 Ca -0.15 0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3hqp s LEU 150 Cb -0.17 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3hqp s LEU 150 CO 0.06 0.35 0.04 -1.58 0.23 0.00 0.00 176.35 175.46 3hqp s GLN 151 N -0.94 3.62 0.25 1.70 0.74 0.35 -0.69 119.66 124.68 3hqp s GLN 151 Ca 0.14 -0.50 -0.30 0.00 0.05 0.00 0.00 55.36 54.74 3hqp s GLN 151 Cb -0.11 -3.24 -0.10 0.00 1.10 0.00 0.00 33.01 30.66 3hqp s GLN 151 CO 0.03 -0.15 1.46 0.08 -0.55 0.00 0.00 175.29 176.15 3hqp s VAL 152 N 1.48 2.63 -0.15 1.34 1.01 -0.47 -0.27 120.40 125.96 3hqp s VAL 152 Ca 0.06 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 3hqp s VAL 152 Cb -0.15 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 3hqp s VAL 152 CO 0.02 0.08 -0.17 0.00 0.00 0.00 0.00 175.10 175.03 3hqp n GLN 153 N 2.44 0.35 -3.64 2.72 1.13 0.45 0.14 117.38 120.97 3hqp n GLN 153 Ca 0.07 0.12 -0.04 0.00 -1.94 0.00 0.00 57.00 55.21 3hqp n GLN 153 Cb 0.40 -1.16 0.02 0.00 0.11 0.00 0.00 30.24 29.61 3hqp n GLN 153 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3hqp n SER 154 N -3.35 -1.73 -4.72 1.08 3.41 -1.07 -4.66 113.62 102.58 3hqp n SER 154 Ca -0.29 -2.00 -0.35 0.00 -0.26 0.00 0.00 58.87 55.97 3hqp n SER 154 Cb 0.74 2.84 -0.08 0.00 -0.26 0.00 0.00 64.21 67.45 3hqp n SER 154 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hqp s HIS 155 N -2.51 3.38 -0.05 7.33 3.76 -1.26 -0.50 115.29 125.44 3hqp s HIS 155 Ca 0.19 0.27 -0.23 0.00 -0.15 0.00 0.00 55.06 55.14 3hqp s HIS 155 Cb -0.03 -2.07 -0.26 0.00 1.11 0.00 0.00 32.58 31.33 3hqp s HIS 155 CO 0.07 0.34 0.98 0.93 -0.85 0.00 0.00 174.74 176.21 3hqp h GLU 156 N 6.28 0.23 0.00 1.40 4.39 -1.58 -3.45 114.58 121.85 3hqp h GLU 156 Ca -0.43 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 58.98 3hqp h GLU 156 Cb 1.17 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3hqp h GLU 156 CO 0.70 1.04 0.00 -0.40 -1.16 0.00 0.00 179.01 179.19 3hqp n ASP 157 N -4.37 0.00 0.00 1.42 5.68 -1.14 -4.96 116.55 113.18 3hqp n ASP 157 Ca -0.11 -0.69 0.08 0.00 -0.50 0.00 0.00 54.79 53.57 3hqp n ASP 157 Cb 0.61 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.99 3hqp n ASP 157 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3hqp n GLU 158 N 0.00 0.29 0.00 0.11 0.00 -1.26 -3.23 120.64 116.55 3hqp n GLU 158 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.27 3hqp n GLU 158 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.94 3hqp n GLU 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3hqp n GLN 159 N -1.21 2.38 -4.37 3.44 6.02 -1.26 -4.82 117.38 117.56 3hqp n GLN 159 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 3hqp n GLN 159 Cb 0.10 -0.94 -0.10 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.82 3.80 -0.06 5.09 2.01 -1.20 -1.77 115.64 121.68 3hqp s THR 160 Ca 0.00 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.25 3hqp s THR 160 Cb 0.00 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.83 3hqp s THR 160 CO 0.00 0.35 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.36 3hqp s LEU 161 N -1.58 1.82 -0.21 4.42 1.43 -0.39 -1.47 118.68 122.70 3hqp s LEU 161 Ca 0.19 -0.35 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 3hqp s LEU 161 Cb -0.11 -0.96 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 3hqp s LEU 161 CO 0.10 0.10 0.93 -0.70 0.23 0.00 0.00 176.35 177.00 3hqp s GLU 162 N 0.37 4.26 0.40 1.70 2.12 0.34 -2.33 118.70 125.57 3hqp s GLU 162 Ca -0.11 1.17 0.07 0.00 0.36 0.00 0.00 54.97 56.46 3hqp s GLU 162 Cb -0.14 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.55 3hqp s GLU 162 CO 0.04 -0.50 0.01 0.00 -0.54 0.00 0.00 175.26 174.27 3hqp s THR 164 N -2.77 1.58 -0.40 0.00 2.01 0.62 -2.24 115.64 114.44 3hqp s THR 164 Ca 0.35 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 3hqp s THR 164 Cb 0.09 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3hqp s THR 164 CO 0.18 0.46 1.31 -0.69 -0.69 0.00 0.00 174.62 175.19 3hqp s VAL 165 N 0.84 4.04 -0.27 3.82 1.01 0.56 -0.50 120.40 129.91 3hqp s VAL 165 Ca -0.09 1.10 0.20 0.00 0.00 0.00 0.00 61.98 63.18 3hqp s VAL 165 Cb -0.15 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.05 3hqp s VAL 165 CO 0.00 -0.75 1.33 0.71 0.00 0.00 0.00 175.10 176.39 3hqp h THR 166 N 6.28 0.31 -3.31 3.92 1.35 -1.71 -0.54 112.91 119.21 3hqp h THR 166 Ca -0.26 -1.48 -0.13 0.00 -0.55 0.00 0.00 66.41 63.99 3hqp h THR 166 Cb 1.09 2.01 -0.20 0.00 -1.73 0.00 0.00 68.15 69.32 3hqp h THR 166 CO 1.08 0.18 -0.39 0.54 -0.25 0.00 0.00 175.52 176.68 3hqp s ASN 167 N -6.03 -0.07 -0.01 5.36 2.20 -1.26 -4.76 114.94 110.37 3hqp s ASN 167 Ca 0.03 -0.09 -0.30 0.00 -0.94 0.00 0.00 52.86 51.56 3hqp s ASN 167 Cb 0.07 0.26 -0.04 0.00 -2.00 0.00 0.00 41.25 39.54 3hqp s ASN 167 CO 0.74 -0.42 1.23 -0.44 -2.94 0.00 0.00 177.10 175.27 3hqp s SER 168 N -1.42 7.03 -0.28 3.54 0.01 -1.26 -4.31 113.70 117.01 3hqp s SER 168 Ca -0.14 1.92 -0.20 0.00 1.31 0.00 0.00 55.95 58.85 3hqp s SER 168 Cb -0.06 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.69 3hqp s SER 168 CO 0.02 -0.57 0.75 -2.28 0.41 0.00 0.00 173.24 171.58 3hqp s HIS 169 N 1.88 -0.89 -0.14 2.43 5.04 -0.44 -4.94 115.29 118.23 3hqp s HIS 169 Ca 0.58 1.90 -0.20 0.00 -1.54 0.00 0.00 55.06 55.80 3hqp s HIS 169 Cb -0.27 0.47 -0.03 0.00 0.04 0.00 0.00 32.58 32.78 3hqp s HIS 169 CO 0.25 -0.43 0.57 0.99 -2.34 0.00 0.00 174.74 173.78 3hqp s THR 170 N 1.09 5.10 -0.02 0.89 2.01 -1.26 -2.02 115.64 121.43 3hqp s THR 170 Ca -0.06 1.12 0.08 0.00 0.31 0.00 0.00 61.69 63.14 3hqp s THR 170 Cb -0.05 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 3hqp s THR 170 CO -0.12 0.23 -0.25 0.27 -0.69 0.00 0.00 174.62 174.06 3hqp s ILE 171 N 1.17 1.96 0.63 1.82 -4.36 -0.42 -4.96 121.20 117.04 3hqp s ILE 171 Ca 0.29 -1.08 -0.01 0.00 -0.26 0.00 0.00 60.65 59.59 3hqp s ILE 171 Cb -0.16 -1.63 0.06 0.00 1.25 0.00 0.00 42.46 41.98 3hqp s ILE 171 CO 0.12 0.54 0.88 -0.44 0.24 0.00 0.00 174.94 176.28 3hqp s SER 172 N -0.62 4.93 0.32 4.36 0.01 -1.26 -0.94 113.70 120.50 3hqp s SER 172 Ca 0.10 -0.00 -0.27 0.00 1.31 0.00 0.00 55.95 57.08 3hqp s SER 172 Cb -0.10 -0.70 -0.13 0.00 0.21 0.00 0.00 66.02 65.30 3hqp s SER 172 CO -0.01 -1.43 0.98 0.47 0.41 0.00 0.00 173.24 173.66 3hqp n ASP 173 N -2.59 1.14 -3.28 2.44 8.00 -1.13 -3.69 116.55 117.44 3hqp n ASP 173 Ca 0.10 1.14 -0.16 0.00 0.71 0.00 0.00 54.79 56.58 3hqp n ASP 173 Cb 0.60 -1.29 0.08 0.00 -0.02 0.00 0.00 41.12 40.50 3hqp n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hqp n ARG 174 N 0.62 -5.76 -2.24 -1.24 1.74 -0.74 -4.98 116.66 104.05 3hqp n ARG 174 Ca 0.10 0.80 -0.41 0.00 -0.77 0.00 0.00 57.85 57.57 3hqp n ARG 174 Cb 0.34 -5.67 -0.03 0.00 -1.02 0.00 0.00 32.46 26.08 3hqp n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hqp s ARG 175 N -5.17 4.44 0.37 5.56 3.00 -1.24 -4.67 118.95 121.25 3hqp s ARG 175 Ca 0.05 2.06 -0.27 0.00 0.00 0.00 0.00 55.73 57.56 3hqp s ARG 175 Cb -0.01 -3.14 -0.10 0.00 0.00 0.00 0.00 34.95 31.71 3hqp s ARG 175 CO 0.69 -0.09 1.32 0.20 0.00 0.00 0.00 175.30 177.41 3hqp s GLY 176 N -0.36 2.96 -0.04 -3.53 0.00 -1.26 -1.12 107.32 103.97 3hqp s GLY 176 Ca 0.50 1.27 0.07 0.00 0.00 0.00 0.00 44.72 46.56 3hqp s GLY 176 CO 0.45 1.90 -0.24 0.54 0.00 0.00 0.00 173.10 175.75 3hqp s VAL 177 N -1.19 2.18 -0.02 1.40 0.11 0.11 -0.40 120.40 122.59 3hqp s VAL 177 Ca 0.53 -1.04 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 3hqp s VAL 177 Cb -0.39 -1.78 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 3hqp s VAL 177 CO 0.52 0.58 -0.21 0.20 -3.33 0.00 0.00 175.10 172.85 3hqp s ASN 178 N -0.41 2.47 -0.53 3.54 0.01 -0.58 -4.28 114.94 115.16 3hqp s ASN 178 Ca 0.04 -0.38 0.04 0.00 -0.71 0.00 0.00 52.86 51.84 3hqp s ASN 178 Cb -0.12 -0.28 0.15 0.00 0.41 0.00 0.00 41.25 41.41 3hqp s ASN 178 CO 0.01 0.26 0.32 -0.76 -1.51 0.00 0.00 177.10 175.43 3hqp s LEU 179 N -0.49 3.67 0.36 0.60 2.01 -1.26 -2.90 118.68 120.67 3hqp s LEU 179 Ca 0.08 -3.12 -0.28 0.00 0.01 0.00 0.00 54.13 50.81 3hqp s LEU 179 Cb -0.08 -1.34 -0.11 0.00 0.01 0.00 0.00 46.19 44.67 3hqp s LEU 179 CO -0.01 -0.20 1.44 -2.84 1.01 0.00 0.00 176.35 175.76 3hqp s PRO 180 N -0.37 4.18 0.00 1.29 0.02 -1.26 -2.86 135.00 136.00 3hqp s PRO 180 Ca 0.21 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3hqp s PRO 180 Cb -0.17 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3hqp s PRO 180 CO -0.06 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3hqp n GLY 181 N 0.62 2.59 3.78 0.52 0.00 -1.26 -4.98 105.19 106.46 3hqp n GLY 181 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3hqp n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp s ASP 183 N -0.75 6.34 -0.08 0.00 3.68 -1.26 -4.97 116.67 119.63 3hqp s ASP 183 Ca 0.33 -1.08 -0.27 0.00 2.13 0.00 0.00 52.55 53.66 3hqp s ASP 183 Cb -0.21 -2.52 -0.03 0.00 -1.45 0.00 0.00 42.92 38.72 3hqp s ASP 183 CO 0.22 -1.57 0.87 0.68 0.13 0.00 0.00 175.17 175.50 3hqp s VAL 184 N 4.83 4.91 -0.85 1.11 -7.23 -1.26 -5.00 120.40 116.90 3hqp s VAL 184 Ca 0.36 1.78 -0.17 0.00 -1.81 0.00 0.00 61.98 62.15 3hqp s VAL 184 Cb -0.06 -4.20 0.16 0.00 0.56 0.00 0.00 36.38 32.84 3hqp s VAL 184 CO 0.02 0.13 0.94 -0.62 -0.31 0.00 0.00 175.10 175.26 3hqp s ASP 185 N 1.00 6.63 0.00 4.85 2.15 -1.26 -5.01 116.67 125.04 3hqp s ASP 185 Ca 0.44 -2.23 0.06 0.00 0.43 0.00 0.00 52.55 51.24 3hqp s ASP 185 Cb -0.19 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3hqp s ASP 185 CO 0.20 -0.88 -0.18 -0.76 -0.17 0.00 0.00 175.17 173.38 3hqp s LEU 186 N 1.69 2.07 0.43 -1.34 1.43 -1.26 -5.10 118.68 116.60 3hqp s LEU 186 Ca 0.25 -0.37 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 3hqp s LEU 186 Cb -0.09 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.16 3hqp s LEU 186 CO -0.08 0.19 1.25 -2.16 0.23 0.00 0.00 176.35 175.79 3hqp s PRO 187 N -0.62 3.83 0.22 1.29 0.04 -1.26 -4.94 135.00 133.57 3hqp s PRO 187 Ca 0.06 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 3hqp s PRO 187 Cb -0.07 -2.59 0.33 0.00 0.04 0.00 0.00 34.50 32.21 3hqp s PRO 187 CO -0.00 -0.56 1.76 0.00 0.04 0.00 0.00 177.00 178.24 3hqp h ALA 188 N 2.36 0.93 -3.24 8.56 0.00 -1.98 -3.37 119.26 122.52 3hqp h ALA 188 Ca -0.49 0.07 -0.53 0.00 0.00 0.00 0.00 54.91 53.95 3hqp h ALA 188 Cb 1.25 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 3hqp h ALA 188 CO 0.61 -0.11 -0.76 0.54 0.00 0.00 0.00 179.25 179.53 3hqp s VAL 189 N -6.06 0.58 0.97 0.00 0.11 -1.26 -4.68 120.40 110.06 3hqp s VAL 189 Ca -0.13 -0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 58.04 3hqp s VAL 189 Cb 0.18 -1.15 0.23 0.00 -1.53 0.00 0.00 36.38 34.11 3hqp s VAL 189 CO 0.76 -0.31 1.15 -1.54 -3.33 0.00 0.00 175.10 171.83 3hqp n SER 190 N 5.02 -0.61 -0.12 3.54 3.41 -1.26 -4.86 113.62 118.74 3hqp n SER 190 Ca -0.08 -1.33 -0.10 0.00 -0.26 0.00 0.00 58.87 57.10 3hqp n SER 190 Cb 0.46 -0.93 0.03 0.00 -0.26 0.00 0.00 64.21 63.51 3hqp n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hqp h ALA 191 N -2.10 0.74 -0.54 7.33 0.00 -2.00 -2.68 119.26 120.01 3hqp h ALA 191 Ca -0.39 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.01 3hqp h ALA 191 Cb 1.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3hqp h ALA 191 CO 0.27 0.66 -0.07 0.87 0.00 0.00 0.00 179.25 180.97 3hqp h LYS 192 N 0.75 1.01 -0.53 0.00 1.57 -2.00 -2.85 116.57 114.52 3hqp h LYS 192 Ca 0.09 -0.36 0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3hqp h LYS 192 Cb 0.82 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.99 3hqp h LYS 192 CO 0.07 1.04 0.16 -0.44 -0.57 0.00 0.00 179.45 179.71 3hqp h ASP 193 N 0.89 0.11 -0.56 0.86 3.32 -1.88 0.37 116.42 119.53 3hqp h ASP 193 Ca 0.14 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3hqp h ASP 193 Cb 0.64 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3hqp h ASP 193 CO 0.04 0.08 0.26 0.03 -1.72 0.00 0.00 179.24 177.93 3hqp h ARG 194 N 0.31 0.81 -0.20 3.56 3.08 -1.42 0.13 114.38 120.65 3hqp h ARG 194 Ca 0.27 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3hqp h ARG 194 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3hqp h ARG 194 CO -0.31 0.67 0.08 0.28 -1.07 0.00 0.00 179.97 179.63 3hqp h VAL 195 N 0.75 1.16 -0.61 2.04 2.07 -1.16 -1.91 116.25 118.59 3hqp h VAL 195 Ca 0.19 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3hqp h VAL 195 Cb 0.14 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3hqp h VAL 195 CO -0.02 0.15 0.08 0.44 0.02 0.00 0.00 177.57 178.24 3hqp h ASP 196 N 0.17 0.99 -0.61 0.57 3.32 -0.74 -1.98 116.42 118.14 3hqp h ASP 196 Ca 0.07 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 3hqp h ASP 196 Cb 0.17 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3hqp h ASP 196 CO -0.01 1.01 0.18 -0.07 -1.72 0.00 0.00 179.24 178.64 3hqp h LEU 197 N 0.94 0.92 -0.41 1.55 3.38 -0.69 -0.88 115.31 120.11 3hqp h LEU 197 Ca 0.18 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3hqp h LEU 197 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hqp h LEU 197 CO 0.02 0.87 -0.32 -0.61 0.09 0.00 0.00 178.44 178.49 3hqp h GLN 198 N 0.95 0.94 -0.26 1.13 5.75 -1.22 -1.35 115.11 121.05 3hqp h GLN 198 Ca 0.21 -0.47 0.05 0.00 -0.15 0.00 0.00 58.65 58.29 3hqp h GLN 198 Cb 0.30 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 3hqp h GLN 198 CO -0.00 1.13 -0.07 0.35 -2.65 0.00 0.00 178.83 177.58 3hqp h PHE 199 N 0.77 -0.15 -0.93 3.99 3.57 -1.11 0.22 116.94 123.30 3hqp h PHE 199 Ca 0.08 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.74 3hqp h PHE 199 Cb 0.91 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.67 3hqp h PHE 199 CO 0.06 -0.12 0.55 0.78 -2.23 0.00 0.00 178.31 177.35 3hqp h GLY 200 N -0.01 1.56 0.74 2.40 0.00 -0.90 0.17 103.07 107.02 3hqp h GLY 200 Ca 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3hqp h GLY 200 CO -0.27 0.04 -0.01 -2.08 0.00 0.00 0.00 176.54 174.22 3hqp h VAL 201 N 0.80 1.27 -0.77 4.60 2.07 -0.58 -1.09 116.25 122.55 3hqp h VAL 201 Ca 0.49 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3hqp h VAL 201 Cb 0.62 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3hqp h VAL 201 CO -0.32 0.25 0.51 -0.33 0.02 0.00 0.00 177.57 177.70 3hqp h GLU 202 N -0.11 0.88 -0.00 1.57 5.08 -0.53 -2.90 114.58 118.57 3hqp h GLU 202 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hqp h GLU 202 Cb 0.40 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hqp h GLU 202 CO 0.01 0.58 -0.37 1.04 -1.00 0.00 0.00 179.01 179.27 3hqp n GLN 203 N -4.46 0.51 -2.42 2.33 1.13 0.54 -4.97 117.38 110.04 3hqp n GLN 203 Ca 0.10 -0.31 -0.02 0.00 -1.94 0.00 0.00 57.00 54.84 3hqp n GLN 203 Cb 0.15 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.01 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 1.41 0.66 3.74 1.08 0.00 -0.51 -5.03 105.19 106.55 3hqp n GLY 204 Ca 0.09 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.73 2.68 -0.14 1.61 -7.23 -0.65 -4.95 120.40 109.00 3hqp s VAL 205 Ca 0.03 0.34 0.19 0.00 -1.81 0.00 0.00 61.98 60.74 3hqp s VAL 205 Cb -0.02 -2.91 -0.17 0.00 0.56 0.00 0.00 36.38 33.84 3hqp s VAL 205 CO 0.04 -0.17 0.69 0.47 -0.31 0.00 0.00 175.10 175.82 3hqp n ASP 206 N -2.44 0.54 -3.48 4.85 8.00 -0.77 -4.85 116.55 118.39 3hqp n ASP 206 Ca 0.12 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.71 3hqp n ASP 206 Cb 0.51 0.77 -0.04 0.00 -0.02 0.00 0.00 41.12 42.34 3hqp n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hqp s MET 207 N -3.10 1.17 -0.14 -1.24 0.23 -1.18 -2.52 119.30 112.52 3hqp s MET 207 Ca -0.05 -0.26 0.00 0.00 -1.03 0.00 0.00 55.69 54.36 3hqp s MET 207 Cb 0.10 0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 33.93 3hqp s MET 207 CO 0.83 -0.46 -0.15 0.42 -2.03 0.00 0.00 175.02 173.63 3hqp s ILE 208 N -2.87 2.80 -0.79 3.16 -1.09 0.14 -1.48 121.20 121.08 3hqp s ILE 208 Ca -0.03 -0.74 -0.17 0.00 -2.23 0.00 0.00 60.65 57.48 3hqp s ILE 208 Cb -0.01 -2.17 0.15 0.00 -1.58 0.00 0.00 42.46 38.85 3hqp s ILE 208 CO -0.05 0.52 0.87 -0.36 -1.23 0.00 0.00 174.94 174.69 3hqp s PHE 209 N 0.59 3.31 -0.38 3.97 0.08 0.26 -0.63 117.98 125.17 3hqp s PHE 209 Ca -0.09 -1.47 -0.29 0.00 0.12 0.00 0.00 56.93 55.21 3hqp s PHE 209 Cb -0.16 -4.04 0.02 0.00 -0.57 0.00 0.00 43.02 38.27 3hqp s PHE 209 CO 0.03 -1.25 1.22 0.00 -0.10 0.00 0.00 175.22 175.12 3hqp s ALA 210 N 1.81 3.26 0.43 5.36 0.00 0.11 -2.05 121.76 130.68 3hqp s ALA 210 Ca 0.21 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.77 3hqp s ALA 210 Cb -0.13 -3.83 -0.09 0.00 0.00 0.00 0.00 23.12 19.08 3hqp s ALA 210 CO -0.04 -1.99 1.06 -1.12 0.00 0.00 0.00 175.76 173.67 3hqp s SER 211 N 2.66 6.55 -1.28 0.00 0.01 -1.26 -0.95 113.70 119.43 3hqp s SER 211 Ca 0.52 2.05 -0.12 0.00 1.31 0.00 0.00 55.95 59.71 3hqp s SER 211 Cb -0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3hqp s SER 211 CO 0.26 -0.64 0.59 0.49 0.41 0.00 0.00 173.24 174.36 3hqp n PHE 212 N -0.37 -1.72 -2.67 2.43 3.72 -1.24 -4.44 117.46 113.16 3hqp n PHE 212 Ca 0.06 0.55 -0.43 0.00 -0.05 0.00 0.00 57.45 57.59 3hqp n PHE 212 Cb 0.50 -3.51 -0.02 0.00 -0.94 0.00 0.00 39.48 35.51 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 -3.72 4.71 -0.24 4.37 -1.09 -0.91 -4.73 121.20 119.60 3hqp s ILE 213 Ca 0.25 2.02 0.11 0.00 -2.23 0.00 0.00 60.65 60.80 3hqp s ILE 213 Cb -0.10 -4.31 -0.15 0.00 -1.58 0.00 0.00 42.46 36.33 3hqp s ILE 213 CO 0.89 -0.13 0.34 -2.11 -1.23 0.00 0.00 174.94 172.70 3hqp n ARG 214 N 5.96 1.74 -3.49 2.79 1.85 -1.26 -4.20 116.66 120.05 3hqp n ARG 214 Ca 0.11 -0.06 -0.12 0.00 -1.00 0.00 0.00 57.85 56.79 3hqp n ARG 214 Cb 0.47 -1.15 -0.03 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 -2.71 -0.48 0.24 2.89 1.04 -1.26 -4.17 113.70 109.25 3hqp s SER 215 Ca -0.00 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 3hqp s SER 215 Cb 0.08 0.47 0.37 0.00 0.10 0.00 0.00 66.02 67.04 3hqp s SER 215 CO 0.45 -0.70 1.81 0.00 0.98 0.00 0.00 173.24 175.78 3hqp h ALA 216 N 2.25 1.13 -0.64 5.32 0.00 -1.86 -2.64 119.26 122.82 3hqp h ALA 216 Ca -0.26 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hqp h ALA 216 Cb 1.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3hqp h ALA 216 CO 0.35 0.09 0.39 1.49 0.00 0.00 0.00 179.25 181.57 3hqp h GLU 217 N 0.77 0.74 -0.82 0.00 4.81 -1.96 -2.14 114.58 115.98 3hqp h GLU 217 Ca 0.38 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.65 3hqp h GLU 217 Cb 0.33 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 3hqp h GLU 217 CO -0.24 0.49 0.54 0.37 -0.73 0.00 0.00 179.01 179.44 3hqp h GLN 218 N 0.77 0.81 -0.28 1.92 4.15 -1.89 -0.93 115.11 119.66 3hqp h GLN 218 Ca 0.26 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 3hqp h GLN 218 Cb 0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3hqp h GLN 218 CO -0.11 0.53 0.13 0.28 -1.93 0.00 0.00 178.83 177.73 3hqp h VAL 219 N 0.83 1.15 -0.86 2.39 2.07 -1.21 -2.04 116.25 118.59 3hqp h VAL 219 Ca 0.37 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.56 3hqp h VAL 219 Cb 0.34 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3hqp h VAL 219 CO -0.14 0.15 0.55 1.23 0.02 0.00 0.00 177.57 179.39 3hqp h GLY 220 N 0.31 1.17 0.94 2.17 0.00 -0.72 -0.83 103.07 106.12 3hqp h GLY 220 Ca 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3hqp h GLY 220 CO -0.01 0.15 0.02 -0.55 0.00 0.00 0.00 176.54 176.15 3hqp h ASP 221 N 0.76 0.66 0.22 0.19 3.32 -0.91 0.33 116.42 121.00 3hqp h ASP 221 Ca 0.41 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hqp h ASP 221 Cb 0.53 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3hqp h ASP 221 CO -0.17 0.80 -0.22 0.58 -1.72 0.00 0.00 179.24 178.50 3hqp h VAL 222 N 0.51 0.51 -1.00 -1.35 2.07 -0.68 -0.09 116.25 116.23 3hqp h VAL 222 Ca 0.11 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 3hqp h VAL 222 Cb 0.44 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3hqp h VAL 222 CO 0.02 0.00 0.64 -0.09 0.02 0.00 0.00 177.57 178.16 3hqp h ARG 223 N -0.48 1.07 -0.04 1.57 2.43 -1.13 -0.42 114.38 117.38 3hqp h ARG 223 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hqp h ARG 223 Cb 0.45 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3hqp h ARG 223 CO -0.06 0.71 0.03 -0.22 -1.51 0.00 0.00 179.97 178.92 3hqp h LYS 224 N 1.10 0.05 0.00 0.20 3.64 -0.66 0.89 116.57 121.80 3hqp h LYS 224 Ca 0.45 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 3hqp h LYS 224 Cb 0.29 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3hqp h LYS 224 CO -0.20 0.04 -0.17 0.00 -2.27 0.00 0.00 179.45 176.85 3hqp h ALA 225 N 1.01 1.44 0.00 5.00 0.00 -0.22 -2.17 119.26 124.32 3hqp h ALA 225 Ca 0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 3hqp h ALA 225 Cb 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hqp h ALA 225 CO -0.00 0.22 -0.73 -0.07 0.00 0.00 0.00 179.25 178.66 3hqp h LEU 226 N 0.00 0.64 0.00 0.00 3.38 -0.89 -3.44 115.31 114.99 3hqp h LEU 226 Ca -0.00 -0.76 0.12 0.00 0.09 0.00 0.00 57.88 57.33 3hqp h LEU 226 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3hqp h LEU 226 CO 0.02 1.31 -0.15 0.61 0.09 0.00 0.00 178.44 180.32 3hqp n GLY 227 N 1.08 -2.09 0.39 0.83 0.00 0.29 -2.91 105.19 102.78 3hqp n GLY 227 Ca -0.11 -1.39 0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 0.28 -0.27 1.61 0.11 -1.87 -0.76 132.00 131.09 3hqp h PRO 228 Ca 0.01 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 3hqp h PRO 228 Cb 0.39 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 3hqp h PRO 228 CO 0.00 0.18 -0.50 -0.22 -0.21 0.00 0.00 178.00 177.25 3hqp h LYS 229 N 0.28 0.75 -1.01 1.05 3.11 -1.99 -3.03 116.57 115.73 3hqp h LYS 229 Ca 0.72 -0.45 -0.53 0.00 -2.81 0.00 0.00 60.65 57.58 3hqp h LYS 229 Cb 1.87 0.04 -0.29 0.00 -1.00 0.00 0.00 32.23 32.85 3hqp h LYS 229 CO -0.47 1.08 0.67 0.41 -2.81 0.00 0.00 179.45 178.33 3hqp n GLY 230 N 0.25 4.67 0.21 5.01 0.00 -0.35 -4.57 105.19 110.41 3hqp n GLY 230 Ca -0.03 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 1.18 0.00 -0.65 1.61 0.11 -1.27 -2.72 114.38 112.64 3hqp h ARG 231 Ca 0.60 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.68 3hqp h ARG 231 Cb 2.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.39 3hqp h ARG 231 CO 1.16 0.23 0.00 -0.25 0.10 0.00 0.00 179.97 181.20 3hqp n ASP 232 N -3.29 3.73 -4.70 0.08 8.00 -1.26 -4.86 116.55 114.25 3hqp n ASP 232 Ca 0.01 -2.14 -0.39 0.00 0.71 0.00 0.00 54.79 52.98 3hqp n ASP 232 Cb 0.49 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.37 5.11 0.18 0.53 1.01 -1.03 -4.96 121.20 120.67 3hqp s ILE 233 Ca 0.44 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 3hqp s ILE 233 Cb 0.25 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 3hqp s ILE 233 CO 0.27 0.24 1.14 -0.04 0.00 0.00 0.00 174.94 176.54 3hqp s MET 234 N 1.13 4.55 -0.40 2.79 -1.94 -1.05 -4.89 119.30 119.49 3hqp s MET 234 Ca 0.28 1.78 -0.11 0.00 -1.71 0.00 0.00 55.69 55.92 3hqp s MET 234 Cb -0.16 -3.27 0.05 0.00 2.01 0.00 0.00 34.83 33.46 3hqp s MET 234 CO 0.12 0.01 0.25 0.42 -0.01 0.00 0.00 175.02 175.80 3hqp s ILE 235 N -0.14 4.63 -0.34 2.53 1.01 -1.26 -0.68 121.20 126.95 3hqp s ILE 235 Ca 0.51 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 3hqp s ILE 235 Cb -0.31 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3hqp s ILE 235 CO 0.35 -0.35 0.35 -0.63 0.00 0.00 0.00 174.94 174.66 3hqp s ILE 236 N 1.54 5.18 -0.31 2.92 -1.09 0.19 -0.38 121.20 129.25 3hqp s ILE 236 Ca 0.03 0.07 -0.22 0.00 -2.23 0.00 0.00 60.65 58.29 3hqp s ILE 236 Cb -0.21 -3.80 -0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3hqp s ILE 236 CO 0.06 -0.07 0.71 0.00 -1.23 0.00 0.00 174.94 174.41 3hqp s LYS 238 N 2.80 4.34 -0.33 0.00 1.02 -0.13 -1.48 119.74 125.97 3hqp s LYS 238 Ca 0.29 1.43 -0.12 0.00 0.02 0.00 0.00 55.97 57.58 3hqp s LYS 238 Cb -0.14 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 3hqp s LYS 238 CO 0.13 -0.47 0.23 0.42 -0.92 0.00 0.00 175.35 174.73 3hqp s ILE 239 N 2.59 5.29 0.00 2.17 -1.09 -0.31 -2.13 121.20 127.71 3hqp s ILE 239 Ca 0.48 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 3hqp s ILE 239 Cb -0.18 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3hqp s ILE 239 CO 0.14 0.04 0.45 -1.84 -1.23 0.00 0.00 174.94 172.50 3hqp n GLU 240 N 5.10 0.00 -4.29 2.79 0.28 -1.26 -2.35 120.64 120.90 3hqp n GLU 240 Ca -0.13 -0.36 -0.19 0.00 -0.16 0.00 0.00 57.16 56.32 3hqp n GLU 240 Cb 0.50 -0.26 -0.08 0.00 1.43 0.00 0.00 31.44 33.02 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 -0.20 1.53 0.24 -1.84 2.20 -1.26 -3.21 114.94 112.40 3hqp s ASN 241 Ca 0.00 -1.69 -0.06 0.00 -0.94 0.00 0.00 52.86 50.17 3hqp s ASN 241 Cb 0.00 0.52 0.29 0.00 -2.00 0.00 0.00 41.25 40.06 3hqp s ASN 241 CO 0.00 -1.01 1.88 -0.74 -2.94 0.00 0.00 177.10 174.29 3hqp h HIS 242 N 2.19 1.10 -0.00 1.54 2.76 -1.95 -2.91 115.15 117.88 3hqp h HIS 242 Ca -0.28 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 3hqp h HIS 242 Cb 1.24 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.83 3hqp h HIS 242 CO 1.46 0.62 -0.42 0.00 -1.30 0.00 0.00 177.93 178.29 3hqp n GLN 243 N -4.52 0.43 -0.05 5.26 10.64 -1.26 -1.46 117.38 126.42 3hqp n GLN 243 Ca 0.12 -0.27 -0.14 0.00 -1.83 0.00 0.00 57.00 54.88 3hqp n GLN 243 Cb 0.10 -1.49 -0.07 0.00 -0.86 0.00 0.00 30.24 27.91 3hqp n GLN 243 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 3hqp h GLY 244 N 4.96 0.49 1.01 2.61 0.00 -1.68 -1.70 103.07 108.77 3hqp h GLY 244 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 3hqp h GLY 244 CO 0.00 0.53 -0.15 -2.08 0.00 0.00 0.00 176.54 174.84 3hqp h VAL 245 N 0.06 1.28 -0.64 4.60 2.07 -1.42 -2.07 116.25 120.13 3hqp h VAL 245 Ca 0.00 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 3hqp h VAL 245 Cb 0.89 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3hqp h VAL 245 CO 0.07 0.43 0.24 -0.61 0.02 0.00 0.00 177.57 177.71 3hqp h GLN 246 N 0.65 0.96 -0.75 1.57 4.15 -1.32 -2.95 115.11 117.42 3hqp h GLN 246 Ca 0.10 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.23 3hqp h GLN 246 Cb 0.69 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.17 3hqp h GLN 246 CO 0.05 0.82 0.13 0.09 -1.93 0.00 0.00 178.83 178.00 3hqp n ASN 247 N -4.41 4.56 -0.30 -0.69 3.02 -0.64 -4.70 115.26 112.10 3hqp n ASN 247 Ca 0.04 -2.90 0.02 0.00 -0.03 0.00 0.00 54.58 51.71 3hqp n ASN 247 Cb 0.18 -0.68 0.15 0.00 -0.61 0.00 0.00 39.78 38.82 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 2.65 0.97 -0.15 2.41 6.09 -1.19 -1.99 117.51 126.30 3hqp h ILE 248 Ca 0.13 -0.30 0.02 0.00 -1.37 0.00 0.00 64.86 63.34 3hqp h ILE 248 Cb 1.92 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 3hqp h ILE 248 CO 0.53 0.16 0.04 0.44 -3.07 0.00 0.00 178.15 176.25 3hqp h ASP 249 N 0.87 0.04 0.33 2.19 3.32 -1.86 0.53 116.42 121.82 3hqp h ASP 249 Ca 0.38 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.28 3hqp h ASP 249 Cb 0.27 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3hqp h ASP 249 CO -0.21 0.04 -0.71 0.77 -1.72 0.00 0.00 179.24 177.42 3hqp h SER 250 N 0.11 0.39 -0.34 6.45 4.64 -1.89 -2.62 113.55 120.29 3hqp h SER 250 Ca 0.06 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3hqp h SER 250 Cb 0.05 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3hqp h SER 250 CO -0.07 0.98 0.21 0.40 -0.87 0.00 0.00 176.83 177.47 3hqp h ILE 251 N 0.23 1.11 -0.57 0.95 2.04 -1.14 -2.61 117.51 117.53 3hqp h ILE 251 Ca -0.02 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3hqp h ILE 251 Cb 1.27 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 3hqp h ILE 251 CO 0.12 0.11 0.30 0.40 0.00 0.00 0.00 178.15 179.08 3hqp h ILE 252 N 0.44 0.97 -0.31 -0.67 2.04 -0.78 -0.07 117.51 119.13 3hqp h ILE 252 Ca 0.12 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3hqp h ILE 252 Cb 0.00 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3hqp h ILE 252 CO -0.02 0.11 0.11 -0.08 0.00 0.00 0.00 178.15 178.26 3hqp h GLU 253 N 0.58 0.43 0.11 2.37 4.57 -1.31 -2.98 114.58 118.36 3hqp h GLU 253 Ca 0.25 -0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 58.07 3hqp h GLU 253 Cb 0.14 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3hqp h GLU 253 CO -0.16 0.38 -1.51 0.93 -1.18 0.00 0.00 179.01 177.46 3hqp h GLU 254 N 0.44 0.24 -7.60 1.92 4.39 -1.06 -3.48 114.58 109.42 3hqp h GLU 254 Ca 0.11 -0.41 -0.46 0.00 0.34 0.00 0.00 59.36 58.94 3hqp h GLU 254 Cb 0.12 0.15 0.11 0.00 -0.10 0.00 0.00 28.75 29.03 3hqp h GLU 254 CO -0.01 1.10 0.37 -1.54 -1.16 0.00 0.00 179.01 177.78 3hqp s SER 255 N -6.96 4.19 0.00 1.42 1.04 -0.08 -4.96 113.70 108.35 3hqp s SER 255 Ca -0.09 0.56 0.23 0.00 0.48 0.00 0.00 55.95 57.14 3hqp s SER 255 Cb 0.07 -0.96 0.41 0.00 0.10 0.00 0.00 66.02 65.64 3hqp s SER 255 CO 0.85 -2.07 1.39 0.47 0.98 0.00 0.00 173.24 174.87 3hqp n ASP 256 N -3.35 3.33 0.00 7.02 9.92 0.49 -4.93 116.55 129.02 3hqp n ASP 256 Ca 0.10 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 3hqp n ASP 256 Cb 0.60 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 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 1.47 -0.84 2.96 0.44 0.00 -1.22 -4.22 105.19 103.77 3hqp n GLY 257 Ca 0.19 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 -0.00 -0.16 -0.61 -1.09 -0.76 -1.70 121.20 114.88 3hqp s ILE 258 Ca 0.00 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 3hqp s ILE 258 Cb 0.00 -0.14 -0.01 0.00 -1.58 0.00 0.00 42.46 40.73 3hqp s ILE 258 CO 0.00 0.01 -0.12 -0.32 -1.23 0.00 0.00 174.94 173.28 3hqp s MET 259 N 0.13 3.35 -0.79 2.79 -2.45 -0.55 -0.22 119.30 121.57 3hqp s MET 259 Ca -0.01 -0.68 -0.25 0.00 -1.25 0.00 0.00 55.69 53.50 3hqp s MET 259 Cb -0.02 -2.72 0.05 0.00 1.25 0.00 0.00 34.83 33.39 3hqp s MET 259 CO -0.00 0.08 1.24 0.08 1.05 0.00 0.00 175.02 177.46 3hqp s VAL 260 N 0.70 3.94 -1.08 10.11 1.01 0.83 -1.17 120.40 134.74 3hqp s VAL 260 Ca -0.06 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 3hqp s VAL 260 Cb -0.15 -4.89 0.15 0.00 0.00 0.00 0.00 36.38 31.49 3hqp s VAL 260 CO 0.02 -1.77 1.31 0.00 0.00 0.00 0.00 175.10 174.65 3hqp s ALA 261 N 5.08 3.69 0.02 5.51 0.00 -0.99 -2.03 121.76 133.05 3hqp s ALA 261 Ca 0.34 -3.08 0.30 0.00 0.00 0.00 0.00 51.96 49.52 3hqp s ALA 261 Cb -0.08 -4.11 1.11 0.00 0.00 0.00 0.00 23.12 20.04 3hqp s ALA 261 CO 0.08 -2.89 1.89 0.00 0.00 0.00 0.00 175.76 174.84 3hqp h ARG 262 N 7.93 0.00 0.45 0.00 3.08 -1.80 -2.53 114.38 121.52 3hqp h ARG 262 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3hqp h ARG 262 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3hqp h ARG 262 CO 1.19 0.05 -0.24 0.78 -1.07 0.00 0.00 179.97 180.68 3hqp h GLY 263 N 2.36 -0.75 1.08 0.04 0.00 -1.86 -0.04 103.07 103.90 3hqp h GLY 263 Ca -0.00 0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 3hqp h GLY 263 CO 0.01 -0.27 -0.15 -0.55 0.00 0.00 0.00 176.54 175.58 3hqp h ASP 264 N -0.64 0.99 -0.54 0.19 3.32 -1.86 -3.10 116.42 114.78 3hqp h ASP 264 Ca -0.06 -0.37 0.09 0.00 0.02 0.00 0.00 57.03 56.70 3hqp h ASP 264 Cb 0.50 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 3hqp h ASP 264 CO 0.09 1.14 0.14 0.25 -1.72 0.00 0.00 179.24 179.13 3hqp h LEU 265 N 0.83 0.07 0.00 1.55 6.46 -1.41 0.03 115.31 122.84 3hqp h LEU 265 Ca 0.12 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3hqp h LEU 265 Cb 0.72 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 3hqp h LEU 265 CO 0.06 0.06 0.00 0.61 -0.62 0.00 0.00 178.44 178.55 3hqp n GLY 266 N -1.29 -0.59 0.15 3.75 0.00 -0.03 0.06 105.19 107.24 3hqp n GLY 266 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.16 0.85 -0.14 1.61 0.31 -0.82 -4.02 118.33 114.96 3hqp n VAL 267 Ca 0.08 -0.31 -0.01 0.00 -0.01 0.00 0.00 64.34 64.09 3hqp n VAL 267 Cb 0.08 -1.15 0.23 0.00 -0.91 0.00 0.00 33.84 32.09 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 -0.10 0.83 -5.71 5.55 4.57 -0.36 -3.44 114.58 115.92 3hqp h GLU 268 Ca -0.34 -0.12 -0.49 0.00 -1.18 0.00 0.00 59.36 57.23 3hqp h GLU 268 Cb 1.48 -0.15 -0.14 0.00 -0.16 0.00 0.00 28.75 29.78 3hqp h GLU 268 CO -0.09 0.68 -0.74 0.96 -1.18 0.00 0.00 179.01 178.64 3hqp s ILE 269 N -5.40 1.91 0.21 2.32 -4.36 0.11 -4.70 121.20 111.28 3hqp s ILE 269 Ca -0.10 -2.26 -0.32 0.00 -0.26 0.00 0.00 60.65 57.72 3hqp s ILE 269 Cb 0.16 -2.10 -0.14 0.00 1.25 0.00 0.00 42.46 41.63 3hqp s ILE 269 CO 0.79 -0.55 1.35 -2.65 0.24 0.00 0.00 174.94 174.12 3hqp n PRO 270 N -0.43 1.78 -0.31 0.37 -0.02 -1.26 -4.42 135.00 130.71 3hqp n PRO 270 Ca -0.07 0.64 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 3hqp n PRO 270 Cb 0.60 -2.26 0.27 0.00 -0.02 0.00 0.00 33.50 32.10 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 4.13 1.42 0.00 3.55 0.00 -1.91 -0.47 119.26 125.98 3hqp h ALA 271 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hqp h ALA 271 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hqp h ALA 271 CO 0.75 -0.16 0.00 1.05 0.00 0.00 0.00 179.25 180.89 3hqp h GLU 272 N 0.58 0.00 -0.00 0.00 9.09 -1.93 -2.46 114.58 119.86 3hqp h GLU 272 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 3hqp h GLU 272 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3hqp h GLU 272 CO -0.42 0.00 -0.10 1.63 0.05 0.00 0.00 179.01 180.17 3hqp n LYS 273 N -2.69 0.05 0.06 1.06 5.02 -0.19 -3.60 118.16 117.88 3hqp n LYS 273 Ca 0.02 -0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.29 3hqp n LYS 273 Cb 0.29 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.07 3hqp n LYS 273 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hqp h VAL 274 N 0.02 1.24 -0.21 -0.18 2.07 -1.48 -1.41 116.25 116.31 3hqp h VAL 274 Ca 0.00 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.39 3hqp h VAL 274 Cb 0.48 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3hqp h VAL 274 CO 0.00 0.36 0.12 0.58 0.02 0.00 0.00 177.57 178.65 3hqp h VAL 275 N 0.33 1.03 -0.23 2.57 2.07 -1.76 0.81 116.25 121.08 3hqp h VAL 275 Ca 0.05 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 3hqp h VAL 275 Cb 0.58 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3hqp h VAL 275 CO 0.04 0.05 -0.27 0.58 0.02 0.00 0.00 177.57 177.98 3hqp h VAL 276 N 0.25 1.32 -0.84 2.57 2.07 -1.74 -2.14 116.25 117.75 3hqp h VAL 276 Ca 0.08 -1.46 0.12 0.00 0.82 0.00 0.00 66.70 66.26 3hqp h VAL 276 Cb -0.01 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 3hqp h VAL 276 CO -0.03 0.45 0.47 0.00 0.02 0.00 0.00 177.57 178.48 3hqp h ALA 277 N 0.65 1.23 -0.56 1.67 0.00 -1.12 -1.18 119.26 119.95 3hqp h ALA 277 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hqp h ALA 277 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3hqp h ALA 277 CO 0.07 0.03 0.18 0.37 0.00 0.00 0.00 179.25 179.89 3hqp h GLN 278 N 0.74 0.87 -0.36 0.00 4.15 -0.69 -0.21 115.11 119.60 3hqp h GLN 278 Ca 0.43 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 3hqp h GLN 278 Cb 0.48 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 3hqp h GLN 278 CO -0.29 0.79 0.16 0.87 -1.93 0.00 0.00 178.83 178.42 3hqp h LYS 279 N 0.78 0.54 0.08 1.69 1.57 -0.93 -2.37 116.57 117.94 3hqp h LYS 279 Ca 0.18 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hqp h LYS 279 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hqp h LYS 279 CO -0.01 0.51 -0.04 0.82 -0.57 0.00 0.00 179.45 180.16 3hqp h ILE 280 N 0.44 1.04 -0.80 1.86 2.04 -1.14 -2.05 117.51 118.91 3hqp h ILE 280 Ca 0.12 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3hqp h ILE 280 Cb 0.16 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3hqp h ILE 280 CO -0.01 0.11 0.49 -0.07 0.00 0.00 0.00 178.15 178.67 3hqp h LEU 281 N -0.31 0.96 -0.27 1.44 3.38 -1.03 -1.54 115.31 117.95 3hqp h LEU 281 Ca -0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3hqp h LEU 281 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hqp h LEU 281 CO 0.02 0.74 -0.21 0.40 0.09 0.00 0.00 178.44 179.47 3hqp h ILE 282 N 1.10 1.31 -0.50 1.22 2.04 -1.43 -2.41 117.51 118.84 3hqp h ILE 282 Ca 0.29 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3hqp h ILE 282 Cb -0.05 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3hqp h ILE 282 CO -0.06 0.43 0.18 0.28 0.00 0.00 0.00 178.15 178.98 3hqp h SER 283 N 0.34 0.71 -0.85 1.72 0.02 -1.19 -0.85 113.55 113.44 3hqp h SER 283 Ca 0.05 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3hqp h SER 283 Cb 0.76 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3hqp h SER 283 CO 0.06 0.71 0.53 0.11 -1.14 0.00 0.00 176.83 177.09 3hqp h LYS 284 N 0.67 1.14 -0.17 3.45 1.57 -1.28 -1.50 116.57 120.44 3hqp h LYS 284 Ca 0.16 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 3hqp h LYS 284 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hqp h LYS 284 CO -0.01 0.79 -0.33 0.00 -0.57 0.00 0.00 179.45 179.33 3hqp h ASN 286 N 0.31 0.33 -0.17 0.00 -0.26 -0.61 -0.78 115.58 114.40 3hqp h ASN 286 Ca 0.04 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.50 3hqp h ASN 286 Cb 0.73 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 3hqp h ASN 286 CO 0.06 0.47 -0.05 0.58 -1.06 0.00 0.00 177.43 177.43 3hqp h VAL 287 N 0.18 1.20 0.00 2.81 2.07 -1.22 -2.75 116.25 118.54 3hqp h VAL 287 Ca 0.07 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3hqp h VAL 287 Cb 0.26 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3hqp h VAL 287 CO -0.00 0.28 -0.50 0.00 0.02 0.00 0.00 177.57 177.36 3hqp n ALA 288 N -2.48 2.84 -2.10 1.67 0.00 -0.91 -4.92 120.51 114.62 3hqp n ALA 288 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 3hqp n ALA 288 Cb 0.26 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 3hqp n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqp n GLY 289 N 1.35 0.33 3.44 0.00 0.00 -0.45 -5.05 105.19 104.81 3hqp n GLY 289 Ca 0.04 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.22 2.81 0.37 1.61 1.02 -0.43 -4.85 119.74 116.05 3hqp s LYS 290 Ca 0.01 -0.69 -0.27 0.00 0.02 0.00 0.00 55.97 55.03 3hqp s LYS 290 Cb -0.00 -2.46 -0.11 0.00 -0.52 0.00 0.00 37.83 34.73 3hqp s LYS 290 CO 0.01 0.48 1.27 -0.35 -0.92 0.00 0.00 175.35 175.84 3hqp n PRO 291 N 2.74 2.04 -4.37 -1.68 -0.04 -1.26 -4.42 135.00 128.01 3hqp n PRO 291 Ca -0.18 0.72 -0.19 0.00 -0.04 0.00 0.00 63.50 63.82 3hqp n PRO 291 Cb 0.52 -2.33 -0.15 0.00 -0.04 0.00 0.00 33.50 31.50 3hqp n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hqp s VAL 292 N -1.13 0.72 -0.12 0.52 0.11 -1.26 -1.83 120.40 117.41 3hqp s VAL 292 Ca 0.57 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 3hqp s VAL 292 Cb -0.55 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 3hqp s VAL 292 CO 0.61 0.21 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.75 3hqp s ILE 293 N -0.16 2.25 -0.04 7.04 1.01 0.70 -2.15 121.20 129.85 3hqp s ILE 293 Ca 0.03 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 3hqp s ILE 293 Cb -0.04 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3hqp s ILE 293 CO -0.00 0.55 0.52 0.00 0.00 0.00 0.00 174.94 176.01 3hqp s ALA 295 N -0.11 0.23 0.00 0.00 0.00 -0.86 -1.31 121.76 119.72 3hqp s ALA 295 Ca 0.28 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3hqp s ALA 295 Cb -0.17 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3hqp s ALA 295 CO 0.14 -0.05 0.00 2.41 0.00 0.00 0.00 175.76 178.26 3hqp n THR 296 N 2.14 -0.70 -1.54 0.00 -1.04 -1.26 -2.87 114.28 109.02 3hqp n THR 296 Ca -0.19 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.67 3hqp n THR 296 Cb 0.57 -0.70 -0.06 0.00 -1.82 0.00 0.00 70.33 68.32 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 1.88 -1.05 0.14 -2.82 6.02 -1.26 -4.75 117.38 115.54 3hqp n GLN 297 Ca 0.00 0.98 -0.14 0.00 -0.01 0.00 0.00 57.00 57.84 3hqp n GLN 297 Cb 0.00 -5.14 -0.08 0.00 1.02 0.00 0.00 30.24 26.04 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 -0.34 -1.44 -1.09 2.86 -1.89 -3.29 114.93 109.74 3hqp h MET 298 Ca -0.31 0.02 -0.59 0.00 -2.06 0.00 0.00 59.70 56.76 3hqp h MET 298 Cb 1.00 0.08 -0.41 0.00 0.06 0.00 0.00 31.60 32.33 3hqp h MET 298 CO 0.44 -0.06 -0.63 1.28 1.06 0.00 0.00 176.91 178.99 3hqp n LEU 299 N -5.14 4.92 -0.23 1.22 4.77 -1.26 -4.54 117.00 116.74 3hqp n LEU 299 Ca -0.09 -5.13 0.01 0.00 -0.03 0.00 0.00 56.01 50.77 3hqp n LEU 299 Cb 0.23 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 40.98 3hqp n LEU 299 CO 0.32 2.19 1.03 -0.08 -1.33 0.00 0.00 177.39 179.53 3hqp h GLU 300 N 2.54 0.50 0.00 3.23 4.57 -1.97 -2.09 114.58 121.36 3hqp h GLU 300 Ca 0.33 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 3hqp h GLU 300 Cb 0.96 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3hqp h GLU 300 CO 0.88 0.33 -0.12 0.66 -1.18 0.00 0.00 179.01 179.58 3hqp h SER 301 N 0.51 0.00 0.00 1.04 4.64 -1.92 -2.38 113.55 115.44 3hqp h SER 301 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3hqp h SER 301 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hqp h SER 301 CO -0.30 0.12 0.00 0.23 -0.87 0.00 0.00 176.83 176.01 3hqp n MET 302 N -3.27 0.57 -0.01 4.77 2.81 -0.79 -0.85 117.12 120.35 3hqp n MET 302 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 3hqp n MET 302 Cb 0.36 -1.20 0.08 0.00 -0.71 0.00 0.00 33.22 31.75 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 1.31 0.00 2.03 2.02 -1.58 -3.37 112.91 113.32 3hqp h THR 303 Ca 0.00 -1.65 -0.05 0.00 0.77 0.00 0.00 66.41 65.47 3hqp h THR 303 Cb 0.00 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3hqp h THR 303 CO 0.00 0.52 -1.57 -1.22 0.37 0.00 0.00 175.52 173.62 3hqp n TYR 304 N -4.00 0.00 -4.63 3.16 4.02 -0.25 -0.38 117.16 115.07 3hqp n TYR 304 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 3hqp n TYR 304 Cb 0.55 -0.33 -0.13 0.00 -0.02 0.00 0.00 39.34 39.41 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 -3.57 3.40 0.00 7.72 0.02 -0.03 -4.93 114.94 117.54 3hqp s ASN 305 Ca -0.04 -0.62 0.30 0.00 -1.02 0.00 0.00 52.86 51.48 3hqp s ASN 305 Cb 0.06 -0.34 1.41 0.00 0.02 0.00 0.00 41.25 42.39 3hqp s ASN 305 CO 0.45 0.22 1.99 -0.81 0.02 0.00 0.00 177.10 178.98 3hqp n PRO 306 N 1.34 0.34 -4.18 -0.60 -0.04 -1.26 -4.11 135.00 126.49 3hqp n PRO 306 Ca -0.17 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.11 3hqp n PRO 306 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 3hqp n PRO 306 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hqp s ARG 307 N -2.68 0.54 0.83 0.54 0.52 -1.26 -4.86 118.95 112.58 3hqp s ARG 307 Ca 0.25 -0.41 -0.08 0.00 -0.52 0.00 0.00 55.73 54.97 3hqp s ARG 307 Cb 0.20 -0.46 0.15 0.00 0.52 0.00 0.00 34.95 35.36 3hqp s ARG 307 CO 0.49 0.12 1.14 -1.25 0.02 0.00 0.00 175.30 175.81 3hqp s PRO 308 N -0.63 1.26 0.61 3.54 0.04 -1.26 -4.64 135.00 133.92 3hqp s PRO 308 Ca -0.01 -0.74 -0.04 0.00 0.04 0.00 0.00 61.00 60.25 3hqp s PRO 308 Cb -0.05 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.42 3hqp s PRO 308 CO 0.00 -1.86 0.88 0.95 0.04 0.00 0.00 177.00 177.02 3hqp s THR 309 N -3.48 2.94 0.24 1.26 -4.23 -1.26 -4.96 115.64 106.15 3hqp s THR 309 Ca 0.69 -0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 60.82 3hqp s THR 309 Cb -0.05 -3.18 0.21 0.00 1.34 0.00 0.00 72.50 70.83 3hqp s THR 309 CO 0.48 -0.16 1.87 0.03 -0.54 0.00 0.00 174.62 176.29 3hqp h ARG 310 N -0.20 1.01 -0.13 3.99 2.47 -2.00 -2.47 114.38 117.04 3hqp h ARG 310 Ca -0.44 -0.06 -0.16 0.00 -1.26 0.00 0.00 59.98 58.06 3hqp h ARG 310 Cb 1.29 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 3hqp h ARG 310 CO 0.58 0.67 -0.60 0.00 0.56 0.00 0.00 179.97 181.17 3hqp h ALA 311 N 1.38 0.72 -0.49 0.04 0.00 -1.99 -2.63 119.26 116.29 3hqp h ALA 311 Ca 0.36 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3hqp h ALA 311 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hqp h ALA 311 CO -0.14 0.71 -0.17 0.93 0.00 0.00 0.00 179.25 180.58 3hqp h GLU 312 N 0.32 0.97 -0.39 0.00 5.08 -1.72 -0.13 114.58 118.71 3hqp h GLU 312 Ca -0.01 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3hqp h GLU 312 Cb 1.14 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3hqp h GLU 312 CO 0.11 1.06 0.25 0.28 -1.00 0.00 0.00 179.01 179.70 3hqp h VAL 313 N 0.85 1.07 -0.15 3.13 2.07 -1.35 -2.17 116.25 119.71 3hqp h VAL 313 Ca 0.12 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 3hqp h VAL 313 Cb 0.74 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3hqp h VAL 313 CO 0.06 0.09 -0.45 0.77 0.02 0.00 0.00 177.57 178.06 3hqp h SER 314 N 0.50 0.40 -0.08 0.57 4.64 -1.34 -2.26 113.55 115.99 3hqp h SER 314 Ca 0.15 -0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3hqp h SER 314 Cb -0.03 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 3hqp h SER 314 CO -0.05 0.80 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.83 3hqp h ASP 315 N 0.30 -0.32 -0.67 4.97 3.58 -0.78 0.42 116.42 123.93 3hqp h ASP 315 Ca 0.02 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 3hqp h ASP 315 Cb 0.92 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 3hqp h ASP 315 CO 0.08 -0.14 0.23 0.58 -2.88 0.00 0.00 179.24 177.10 3hqp h VAL 316 N -0.14 1.25 -0.37 2.25 2.07 -1.25 -1.88 116.25 118.19 3hqp h VAL 316 Ca 0.07 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 3hqp h VAL 316 Cb 0.23 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3hqp h VAL 316 CO -0.16 0.32 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 3hqp h ALA 317 N 1.10 0.50 0.00 1.67 0.00 -1.30 -2.89 119.26 118.34 3hqp h ALA 317 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hqp h ALA 317 Cb 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hqp h ALA 317 CO -0.01 0.29 -0.15 -0.91 0.00 0.00 0.00 179.25 178.47 3hqp h ASN 318 N 0.48 0.00 -0.28 0.00 2.35 -0.75 -1.28 115.58 116.10 3hqp h ASN 318 Ca 0.10 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3hqp h ASN 318 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3hqp h ASN 318 CO 0.02 0.15 -0.16 0.00 -1.65 0.00 0.00 177.43 175.80 3hqp h ALA 319 N 1.85 0.39 -0.19 -0.83 0.00 -1.14 0.13 119.26 119.46 3hqp h ALA 319 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3hqp h ALA 319 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hqp h ALA 319 CO 0.02 0.30 0.10 0.28 0.00 0.00 0.00 179.25 179.95 3hqp h VAL 320 N 0.34 1.12 -0.62 0.00 2.07 -1.30 -2.10 116.25 115.75 3hqp h VAL 320 Ca 0.06 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3hqp h VAL 320 Cb 0.69 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3hqp h VAL 320 CO 0.05 0.11 0.30 -0.26 0.02 0.00 0.00 177.57 177.78 3hqp h PHE 321 N 0.20 0.53 -0.48 1.57 0.04 -1.17 -1.42 116.94 116.21 3hqp h PHE 321 Ca 0.07 0.03 0.14 0.00 2.80 0.00 0.00 57.97 61.00 3hqp h PHE 321 Cb 0.09 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 3hqp h PHE 321 CO -0.03 0.21 0.44 -0.91 -0.60 0.00 0.00 178.31 177.42 3hqp h ASN 322 N 0.54 0.00 0.00 2.17 -0.26 -0.50 -3.45 115.58 114.08 3hqp h ASN 322 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 3hqp h ASN 322 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3hqp h ASN 322 CO -0.23 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.75 3hqp n GLY 323 N -1.54 1.44 3.76 2.83 0.00 -0.54 -4.58 105.19 106.56 3hqp n GLY 323 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 3.45 0.02 4.61 0.00 -0.81 -4.92 121.76 122.11 3hqp s ALA 324 Ca 0.00 1.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 3hqp s ALA 324 Cb 0.00 -3.40 -0.20 0.00 0.00 0.00 0.00 23.12 19.52 3hqp s ALA 324 CO 0.00 -0.39 1.18 -0.44 0.00 0.00 0.00 175.76 176.10 3hqp h ASP 325 N 3.79 0.49 -4.35 0.00 5.19 -1.76 -3.44 116.42 116.35 3hqp h ASP 325 Ca -0.47 -0.67 -0.45 0.00 -0.62 0.00 0.00 57.03 54.81 3hqp h ASP 325 Cb 1.22 -0.15 -0.21 0.00 0.18 0.00 0.00 39.33 40.37 3hqp h ASP 325 CO 0.67 1.09 -0.79 0.00 -3.12 0.00 0.00 179.24 177.09 3hqp s VAL 327 N -1.35 1.96 0.08 0.00 -7.23 -0.65 -1.23 120.40 111.97 3hqp s VAL 327 Ca 0.02 -1.28 0.08 0.00 -1.81 0.00 0.00 61.98 58.99 3hqp s VAL 327 Cb -0.09 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3hqp s VAL 327 CO 0.03 0.34 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.67 3hqp s MET 328 N -1.12 1.93 -0.13 4.82 1.75 -0.42 -1.84 119.30 124.28 3hqp s MET 328 Ca 0.10 -1.08 0.01 0.00 -1.25 0.00 0.00 55.69 53.47 3hqp s MET 328 Cb -0.09 -2.16 -0.00 0.00 2.84 0.00 0.00 34.83 35.42 3hqp s MET 328 CO 0.02 0.51 -0.17 -0.51 -0.65 0.00 0.00 175.02 174.21 3hqp s LEU 329 N -1.83 2.41 0.00 4.11 1.43 -0.32 -4.23 118.68 120.25 3hqp s LEU 329 Ca 0.17 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3hqp s LEU 329 Cb -0.11 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3hqp s LEU 329 CO 0.08 0.13 0.00 -1.20 0.23 0.00 0.00 176.35 175.59 3hqp n SER 330 N 3.78 0.00 0.27 2.29 7.64 -1.26 -1.94 113.62 124.40 3hqp n SER 330 Ca -0.19 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.81 3hqp n SER 330 Cb 0.52 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.46 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 0.24 0.23 0.00 -1.97 -1.78 103.07 99.79 3hqp h GLY 331 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 3hqp h GLY 331 CO 0.00 0.00 0.52 0.83 0.00 0.00 0.00 176.54 177.89 3hqp h GLU 332 N 0.00 0.71 0.00 4.80 3.07 -1.89 -0.74 114.58 120.53 3hqp h GLU 332 Ca -0.00 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 3hqp h GLU 332 Cb 0.23 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3hqp h GLU 332 CO 0.01 0.47 -2.09 0.25 -1.40 0.00 0.00 179.01 176.26 3hqp n THR 333 N -4.80 0.67 -0.03 1.13 -2.24 -1.15 -3.35 114.28 104.50 3hqp n THR 333 Ca 0.19 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 3hqp n THR 333 Cb 0.46 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.32 0.13 0.00 6.98 0.00 -1.08 -3.35 119.26 123.26 3hqp h ALA 334 Ca -0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hqp h ALA 334 Cb 1.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3hqp h ALA 334 CO 0.01 -0.11 -0.06 0.36 0.00 0.00 0.00 179.25 179.46 3hqp n LYS 335 N -4.74 0.54 -2.01 0.00 2.85 -0.36 -1.52 118.16 112.92 3hqp n LYS 335 Ca -0.07 -0.79 -0.28 0.00 -1.05 0.00 0.00 58.31 56.12 3hqp n LYS 335 Cb 0.27 -0.61 0.07 0.00 -0.65 0.00 0.00 35.03 34.10 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 -0.38 1.62 0.20 2.58 0.00 -0.72 -4.86 107.32 105.77 3hqp s GLY 336 Ca 0.01 -0.66 0.23 0.00 0.00 0.00 0.00 44.72 44.30 3hqp s GLY 336 CO 0.00 -0.23 1.15 0.50 0.00 0.00 0.00 173.10 174.52 3hqp h LYS 337 N -0.79 0.00 -1.77 2.90 1.57 -0.95 -3.40 116.57 114.12 3hqp h LYS 337 Ca -0.45 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.83 3hqp h LYS 337 Cb 1.30 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.21 3hqp h LYS 337 CO 0.64 0.00 -0.97 0.66 -0.57 0.00 0.00 179.45 179.21 3hqp n TYR 338 N -2.57 1.99 -0.29 -1.35 4.01 -1.26 -4.96 117.16 112.73 3hqp n TYR 338 Ca 0.01 -3.52 0.03 0.00 -0.16 0.00 0.00 57.90 54.27 3hqp n TYR 338 Cb 0.52 -0.37 0.17 0.00 -0.31 0.00 0.00 39.34 39.35 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 2.92 0.76 -0.08 -0.72 0.13 -1.77 -1.22 132.00 132.01 3hqp h PRO 339 Ca 0.10 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 64.97 3hqp h PRO 339 Cb 0.88 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3hqp h PRO 339 CO 0.65 0.50 -0.80 -0.91 -0.23 0.00 0.00 178.00 177.21 3hqp h ASN 340 N 0.78 0.66 -0.22 1.44 2.35 -1.92 -2.94 115.58 115.73 3hqp h ASN 340 Ca 0.40 -0.45 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 3hqp h ASN 340 Cb 0.38 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3hqp h ASN 340 CO -0.25 1.22 -0.27 -0.33 -1.65 0.00 0.00 177.43 176.15 3hqp h GLU 341 N 0.36 0.57 -0.73 0.81 3.07 -1.88 -1.07 114.58 115.71 3hqp h GLU 341 Ca -0.05 -0.32 0.06 0.00 -0.50 0.00 0.00 59.36 58.55 3hqp h GLU 341 Cb 1.40 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.28 3hqp h GLU 341 CO 0.15 0.92 0.42 -0.24 -1.40 0.00 0.00 179.01 178.85 3hqp h VAL 342 N 0.25 0.99 -0.03 3.13 3.04 -1.30 0.16 116.25 122.50 3hqp h VAL 342 Ca 0.03 -0.26 -0.11 0.00 -1.01 0.00 0.00 66.70 65.35 3hqp h VAL 342 Cb 0.84 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 3hqp h VAL 342 CO 0.06 0.14 -0.47 0.58 -1.01 0.00 0.00 177.57 176.87 3hqp h VAL 343 N 0.77 1.34 -0.10 1.51 2.07 -1.39 -1.78 116.25 118.67 3hqp h VAL 343 Ca 0.32 -1.64 -0.24 0.00 0.82 0.00 0.00 66.70 65.97 3hqp h VAL 343 Cb 0.19 1.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3hqp h VAL 343 CO -0.18 0.47 -0.86 1.56 0.02 0.00 0.00 177.57 178.58 3hqp h GLN 344 N 0.06 0.76 -0.23 1.57 4.20 -0.47 -2.46 115.11 118.53 3hqp h GLN 344 Ca 0.00 -0.68 -0.02 0.00 0.06 0.00 0.00 58.65 58.01 3hqp h GLN 344 Cb 0.86 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 3hqp h GLN 344 CO 0.06 1.28 0.08 1.88 -0.67 0.00 0.00 178.83 181.46 3hqp h TYR 345 N 0.47 0.37 -0.42 2.96 0.05 -0.62 -1.80 116.97 117.97 3hqp h TYR 345 Ca -0.08 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.72 3hqp h TYR 345 Cb 1.50 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 39.09 3hqp h TYR 345 CO 0.09 0.42 0.16 1.98 -1.05 0.00 0.00 178.16 179.76 3hqp h MET 346 N 0.21 0.32 -0.50 4.88 4.05 -1.36 0.16 114.93 122.69 3hqp h MET 346 Ca 0.08 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 3hqp h MET 346 Cb 0.22 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 3hqp h MET 346 CO -0.00 0.21 0.32 0.00 0.23 0.00 0.00 176.91 177.67 3hqp h ALA 347 N 1.27 0.63 -0.42 0.39 0.00 -1.37 -0.57 119.26 119.18 3hqp h ALA 347 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hqp h ALA 347 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hqp h ALA 347 CO -0.19 0.09 0.25 -0.09 0.00 0.00 0.00 179.25 179.31 3hqp h ARG 348 N 0.67 0.58 -0.57 0.00 2.43 -0.97 -1.18 114.38 115.34 3hqp h ARG 348 Ca 0.18 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3hqp h ARG 348 Cb -0.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3hqp h ARG 348 CO -0.04 0.44 0.10 0.82 -1.51 0.00 0.00 179.97 179.78 3hqp h ILE 349 N 0.56 1.24 -0.53 1.20 2.04 -0.73 -1.83 117.51 119.46 3hqp h ILE 349 Ca 0.15 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 3hqp h ILE 349 Cb 0.02 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3hqp h ILE 349 CO -0.03 0.34 0.02 0.00 0.00 0.00 0.00 178.15 178.48 3hqp h LEU 351 N 0.83 0.96 0.54 0.00 6.46 -1.02 -2.16 115.31 120.92 3hqp h LEU 351 Ca 0.16 -0.49 -0.03 0.00 -0.12 0.00 0.00 57.88 57.41 3hqp h LEU 351 Cb 0.47 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3hqp h LEU 351 CO 0.02 1.25 -0.26 -0.08 -0.62 0.00 0.00 178.44 178.76 3hqp h GLU 352 N 0.69 -0.70 -0.78 1.25 4.57 -1.22 -2.85 114.58 115.53 3hqp h GLU 352 Ca 0.05 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 3hqp h GLU 352 Cb 1.01 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 3hqp h GLU 352 CO 0.10 -0.41 0.51 0.00 -1.18 0.00 0.00 179.01 178.03 3hqp h ALA 353 N -0.47 1.64 -0.80 2.92 0.00 -1.46 -1.57 119.26 119.52 3hqp h ALA 353 Ca -0.07 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3hqp h ALA 353 Cb 0.61 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3hqp h ALA 353 CO 0.12 0.24 0.44 0.37 0.00 0.00 0.00 179.25 180.43 3hqp h GLN 354 N 0.85 0.71 0.00 0.00 4.15 -1.35 0.77 115.11 120.24 3hqp h GLN 354 Ca 0.34 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 3hqp h GLN 354 Cb 0.23 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 3hqp h GLN 354 CO -0.12 0.47 -0.16 0.66 -1.93 0.00 0.00 178.83 177.76 3hqp h SER 355 N 0.73 0.00 0.44 -0.69 4.64 -1.04 -2.43 113.55 115.20 3hqp h SER 355 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3hqp h SER 355 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3hqp h SER 355 CO -0.26 0.16 -0.70 0.00 -0.87 0.00 0.00 176.83 175.15 3hqp n ALA 356 N -2.36 3.65 -2.11 5.18 0.00 -0.43 -4.91 120.51 119.52 3hqp n ALA 356 Ca -0.02 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3hqp n ALA 356 Cb 0.25 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.31 4.41 -1.04 0.00 2.96 0.14 -4.98 118.68 116.86 3hqp s LEU 357 Ca 0.09 2.29 -0.16 0.00 -0.22 0.00 0.00 54.13 56.12 3hqp s LEU 357 Cb 0.16 -3.60 0.16 0.00 0.50 0.00 0.00 46.19 43.41 3hqp s LEU 357 CO 0.75 -0.51 1.22 0.21 -1.32 0.00 0.00 176.35 176.70 3hqp s ASN 358 N 0.55 6.83 0.37 3.68 3.84 -1.26 -4.89 114.94 124.07 3hqp s ASN 358 Ca 0.58 -2.50 0.11 0.00 0.21 0.00 0.00 52.86 51.26 3hqp s ASN 358 Cb -0.35 -2.38 0.73 0.00 -0.55 0.00 0.00 41.25 38.70 3hqp s ASN 358 CO 0.35 -0.89 1.85 -0.33 -2.79 0.00 0.00 177.10 175.29 3hqp h GLU 359 N 8.06 0.12 -0.52 0.43 3.07 -1.92 -1.99 114.58 121.83 3hqp h GLU 359 Ca 0.22 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 3hqp h GLU 359 Cb 0.96 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3hqp h GLU 359 CO 1.14 0.40 0.29 -0.92 -1.40 0.00 0.00 179.01 178.51 3hqp h TYR 360 N 0.11 0.71 -0.33 4.33 3.20 -1.90 0.15 116.97 123.24 3hqp h TYR 360 Ca 0.02 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3hqp h TYR 360 Cb 0.55 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3hqp h TYR 360 CO 0.00 0.52 -0.19 0.28 -1.64 0.00 0.00 178.16 177.13 3hqp h VAL 361 N 0.69 1.29 -0.29 1.81 2.07 -1.89 -1.13 116.25 118.80 3hqp h VAL 361 Ca 0.18 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.45 3hqp h VAL 361 Cb 0.04 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3hqp h VAL 361 CO -0.03 0.43 -0.23 0.15 0.02 0.00 0.00 177.57 177.91 3hqp h PHE 362 N 0.48 -0.60 -0.17 1.57 -0.00 -1.17 0.23 116.94 117.28 3hqp h PHE 362 Ca 0.07 0.04 0.04 0.00 -0.00 0.00 0.00 57.97 58.12 3hqp h PHE 362 Cb 0.74 0.31 -0.04 0.00 -0.00 0.00 0.00 35.95 36.95 3hqp h PHE 362 CO 0.06 -0.31 -0.11 0.35 -0.00 0.00 0.00 178.31 178.30 3hqp h PHE 363 N -0.21 -0.27 -0.34 0.41 3.57 -0.48 -1.25 116.94 118.37 3hqp h PHE 363 Ca 0.15 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3hqp h PHE 363 Cb 0.45 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3hqp h PHE 363 CO -0.41 -0.17 -0.01 -0.91 -2.23 0.00 0.00 178.31 174.58 3hqp h ASN 364 N -0.11 0.49 -0.26 0.41 2.35 -0.87 -1.91 115.58 115.68 3hqp h ASN 364 Ca 0.10 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3hqp h ASN 364 Cb 0.26 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3hqp h ASN 364 CO -0.23 0.57 -0.14 0.28 -1.65 0.00 0.00 177.43 176.25 3hqp h SER 365 N 0.50 0.58 -0.33 5.81 0.02 -0.59 -2.27 113.55 117.27 3hqp h SER 365 Ca 0.11 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3hqp h SER 365 Cb 0.34 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3hqp h SER 365 CO 0.01 0.87 0.17 0.40 -1.14 0.00 0.00 176.83 177.15 3hqp h ILE 366 N 0.29 1.14 -0.48 3.27 2.04 -1.11 -3.01 117.51 119.67 3hqp h ILE 366 Ca 0.06 -0.39 0.08 0.00 1.00 0.00 0.00 64.86 65.61 3hqp h ILE 366 Cb 0.66 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 3hqp h ILE 366 CO 0.04 0.15 0.08 0.11 0.00 0.00 0.00 178.15 178.53 3hqp h LYS 367 N 0.41 0.20 0.00 2.37 1.57 -1.32 -2.37 116.57 117.43 3hqp h LYS 367 Ca 0.12 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3hqp h LYS 367 Cb 0.08 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3hqp h LYS 367 CO -0.02 0.14 -0.02 0.87 -0.57 0.00 0.00 179.45 179.85 3hqp h LYS 368 N 0.21 0.00 -0.09 3.15 6.56 -1.28 -2.86 116.57 122.27 3hqp h LYS 368 Ca 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 3hqp h LYS 368 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 3hqp h LYS 368 CO -0.32 0.02 0.00 1.28 -2.06 0.00 0.00 179.45 178.37 3hqp n LEU 369 N -4.17 2.20 -4.77 2.94 4.77 -0.90 -4.88 117.00 112.19 3hqp n LEU 369 Ca -0.03 -0.79 -0.39 0.00 -0.03 0.00 0.00 56.01 54.76 3hqp n LEU 369 Cb 0.11 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3hqp n LEU 369 CO 0.31 0.40 0.44 -1.10 -1.33 0.00 0.00 177.39 176.10 3hqp s GLN 370 N -1.91 4.48 0.16 3.23 -1.52 -1.08 -5.04 119.66 117.98 3hqp s GLN 370 Ca 0.34 1.05 -0.31 0.00 -1.95 0.00 0.00 55.36 54.49 3hqp s GLN 370 Cb 0.20 -3.29 -0.09 0.00 -0.22 0.00 0.00 33.01 29.61 3hqp s GLN 370 CO 0.31 0.49 1.42 -1.58 -0.25 0.00 0.00 175.29 175.69 3hqp s HIS 371 N -0.80 3.17 -0.14 0.91 5.65 -1.26 -5.00 115.29 117.82 3hqp s HIS 371 Ca 0.35 0.94 -0.07 0.00 0.25 0.00 0.00 55.06 56.53 3hqp s HIS 371 Cb -0.22 -3.74 -0.04 0.00 -1.18 0.00 0.00 32.58 27.40 3hqp s HIS 371 CO 0.24 -2.57 0.12 0.42 -0.65 0.00 0.00 174.74 172.30 3hqp s ILE 372 N 0.77 5.31 0.33 0.89 1.01 -1.26 -3.44 121.20 124.81 3hqp s ILE 372 Ca 0.64 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 3hqp s ILE 372 Cb -0.39 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 3hqp s ILE 372 CO 0.34 0.56 1.03 -2.16 0.00 0.00 0.00 174.94 174.71 3hqp s PRO 373 N -0.51 4.47 0.56 2.79 0.04 -1.26 -5.17 135.00 135.93 3hqp s PRO 373 Ca 0.12 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 3hqp s PRO 373 Cb -0.12 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 3hqp s PRO 373 CO 0.02 0.13 1.03 -1.64 0.04 0.00 0.00 177.00 176.57 3hqp s MET 374 N -1.92 3.58 0.89 4.56 -1.94 -1.22 -5.05 119.30 118.20 3hqp s MET 374 Ca 0.50 1.08 -0.11 0.00 -1.71 0.00 0.00 55.69 55.46 3hqp s MET 374 Cb -0.25 -2.08 0.13 0.00 2.01 0.00 0.00 34.83 34.64 3hqp s MET 374 CO 0.32 -0.59 1.11 -1.54 -0.01 0.00 0.00 175.02 174.32 3hqp s SER 375 N -2.97 3.27 0.20 3.03 1.04 -1.26 -4.82 113.70 112.18 3hqp s SER 375 Ca 0.61 1.95 -0.10 0.00 0.48 0.00 0.00 55.95 58.89 3hqp s SER 375 Cb -0.13 -2.49 0.20 0.00 0.10 0.00 0.00 66.02 63.69 3hqp s SER 375 CO 0.36 -2.84 1.82 0.00 0.98 0.00 0.00 173.24 173.55 3hqp h ALA 376 N -1.69 0.86 -0.62 5.32 0.00 -1.96 -1.79 119.26 119.38 3hqp h ALA 376 Ca -0.45 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3hqp h ALA 376 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3hqp h ALA 376 CO 0.46 0.10 0.14 0.38 0.00 0.00 0.00 179.25 180.34 3hqp h ASP 377 N 0.74 0.94 -0.39 0.00 2.03 -1.92 -0.38 116.42 117.43 3hqp h ASP 377 Ca 0.28 -0.24 -0.11 0.00 -0.73 0.00 0.00 57.03 56.22 3hqp h ASP 377 Cb 0.10 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.33 3hqp h ASP 377 CO -0.14 0.93 -0.18 -0.08 -1.03 0.00 0.00 179.24 178.75 3hqp h GLU 378 N 0.90 0.88 -0.60 4.15 4.81 -1.85 -2.34 114.58 120.53 3hqp h GLU 378 Ca 0.19 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3hqp h GLU 378 Cb 0.37 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3hqp h GLU 378 CO 0.00 0.98 0.08 0.00 -0.73 0.00 0.00 179.01 179.35 3hqp h ALA 379 N 1.02 1.00 -0.73 2.92 0.00 -0.86 -0.16 119.26 122.46 3hqp h ALA 379 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hqp h ALA 379 Cb 0.71 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hqp h ALA 379 CO 0.05 0.63 0.48 0.28 0.00 0.00 0.00 179.25 180.69 3hqp h VAL 380 N 0.93 1.17 -0.11 0.00 2.07 -0.90 -0.20 116.25 119.21 3hqp h VAL 380 Ca 0.18 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3hqp h VAL 380 Cb 0.43 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3hqp h VAL 380 CO 0.01 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.68 3hqp h SER 382 N -0.13 0.36 1.49 0.00 0.87 -0.95 -2.54 113.55 112.65 3hqp h SER 382 Ca 0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3hqp h SER 382 Cb 0.62 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hqp h SER 382 CO 0.03 0.26 -0.10 0.28 -0.53 0.00 0.00 176.83 176.77 3hqp h SER 383 N 0.45 0.00 -0.05 6.23 0.02 -1.06 -2.70 113.55 116.45 3hqp h SER 383 Ca 0.14 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 3hqp h SER 383 Cb -0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hqp h SER 383 CO -0.06 0.10 -0.54 0.00 -1.14 0.00 0.00 176.83 175.20 3hqp h ALA 384 N 1.90 0.66 -0.52 3.77 0.00 -1.07 -1.95 119.26 122.04 3hqp h ALA 384 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3hqp h ALA 384 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3hqp h ALA 384 CO 0.01 0.68 -0.07 0.28 0.00 0.00 0.00 179.25 180.16 3hqp h VAL 385 N 0.49 1.27 -0.80 0.00 2.07 -1.35 -1.48 116.25 116.44 3hqp h VAL 385 Ca 0.01 -1.21 0.14 0.00 0.82 0.00 0.00 66.70 66.46 3hqp h VAL 385 Cb 1.09 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 3hqp h VAL 385 CO 0.11 0.43 0.38 -1.13 0.02 0.00 0.00 177.57 177.37 3hqp h ASN 386 N 0.84 0.44 -0.30 0.57 -1.24 -1.39 -1.19 115.58 113.31 3hqp h ASN 386 Ca 0.14 0.09 -0.06 0.00 0.71 0.00 0.00 56.30 57.18 3hqp h ASN 386 Cb 0.63 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 3hqp h ASN 386 CO 0.04 0.19 -0.00 0.28 -1.29 0.00 0.00 177.43 176.65 3hqp h SER 387 N 0.56 0.61 0.39 1.15 0.02 -0.86 -1.59 113.55 113.84 3hqp h SER 387 Ca 0.43 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3hqp h SER 387 Cb 0.61 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3hqp h SER 387 CO -0.36 0.69 -0.28 0.58 -1.14 0.00 0.00 176.83 176.31 3hqp h VAL 388 N 0.61 0.42 -0.91 2.27 2.07 -0.20 -1.70 116.25 118.81 3hqp h VAL 388 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3hqp h VAL 388 Cb 0.39 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3hqp h VAL 388 CO 0.01 0.00 0.54 1.88 0.02 0.00 0.00 177.57 180.03 3hqp h TYR 389 N -0.66 1.21 -0.02 1.57 0.05 -1.31 0.17 116.97 117.98 3hqp h TYR 389 Ca -0.04 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 3hqp h TYR 389 Cb 0.56 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 3hqp h TYR 389 CO -0.12 0.81 -0.36 0.93 -1.05 0.00 0.00 178.16 178.37 3hqp h GLU 390 N 1.26 0.03 -0.01 4.88 5.08 -1.19 -3.15 114.58 121.48 3hqp h GLU 390 Ca 0.33 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3hqp h GLU 390 Cb -0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3hqp h GLU 390 CO -0.06 0.39 -0.22 0.25 -1.00 0.00 0.00 179.01 178.37 3hqp n THR 391 N -4.11 0.00 -3.93 1.13 -2.24 -0.65 -4.99 114.28 99.50 3hqp n THR 391 Ca -0.02 -0.39 -0.27 0.00 -2.27 0.00 0.00 64.05 61.10 3hqp n THR 391 Cb 0.40 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 3hqp n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hqp n LYS 392 N 0.18 -2.86 -2.38 -0.78 5.02 0.48 -4.94 118.16 112.87 3hqp n LYS 392 Ca 0.07 0.39 -0.35 0.00 -2.02 0.00 0.00 58.31 56.40 3hqp n LYS 392 Cb 0.34 -4.38 -0.02 0.00 -0.02 0.00 0.00 35.03 30.95 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 -3.89 2.84 -1.53 7.82 0.00 -0.58 -4.84 121.76 121.59 3hqp s ALA 393 Ca 0.08 0.76 0.19 0.00 0.00 0.00 0.00 51.96 52.99 3hqp s ALA 393 Cb -0.03 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3hqp s ALA 393 CO 0.89 -0.54 0.92 1.63 0.00 0.00 0.00 175.76 178.66 3hqp n LYS 394 N -0.91 1.36 -3.71 0.00 5.02 -1.08 -4.77 118.16 114.06 3hqp n LYS 394 Ca 0.09 -0.68 -0.11 0.00 -2.02 0.00 0.00 58.31 55.59 3hqp n LYS 394 Cb 0.51 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.30 -0.78 0.15 7.82 0.00 -1.25 -4.18 121.76 121.21 3hqp s ALA 395 Ca 0.14 -0.00 0.11 0.00 0.00 0.00 0.00 51.96 52.21 3hqp s ALA 395 Cb 0.15 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 3hqp s ALA 395 CO 0.55 -0.50 -0.26 -1.64 0.00 0.00 0.00 175.76 173.91 3hqp s MET 396 N -3.02 1.45 -0.09 0.00 -1.94 -0.48 -2.12 119.30 113.11 3hqp s MET 396 Ca -0.02 -1.40 -0.00 0.00 -1.71 0.00 0.00 55.69 52.56 3hqp s MET 396 Cb 0.01 -1.89 0.02 0.00 2.01 0.00 0.00 34.83 34.98 3hqp s MET 396 CO -0.06 0.43 -0.06 0.08 -0.01 0.00 0.00 175.02 175.40 3hqp s VAL 397 N -1.26 0.80 -0.07 -6.03 1.01 -0.11 -0.61 120.40 114.13 3hqp s VAL 397 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3hqp s VAL 397 Cb -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3hqp s VAL 397 CO 0.07 0.32 -0.20 0.54 0.00 0.00 0.00 175.10 175.83 3hqp s VAL 398 N 1.54 1.70 -0.16 2.92 0.11 -0.32 0.03 120.40 126.22 3hqp s VAL 398 Ca 0.00 -0.83 -0.24 0.00 -2.93 0.00 0.00 61.98 57.98 3hqp s VAL 398 Cb -0.13 -1.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 3hqp s VAL 398 CO -0.05 0.48 0.78 -0.76 -3.33 0.00 0.00 175.10 172.22 3hqp s LEU 399 N 0.29 4.19 -0.12 2.54 1.43 -0.91 -1.75 118.68 124.35 3hqp s LEU 399 Ca -0.13 1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3hqp s LEU 399 Cb -0.16 -3.16 0.05 0.00 0.03 0.00 0.00 46.19 42.96 3hqp s LEU 399 CO 0.06 -0.34 0.28 -0.55 0.23 0.00 0.00 176.35 176.03 3hqp s SER 400 N 1.12 -0.31 -0.24 2.29 0.15 -0.87 -4.86 113.70 110.97 3hqp s SER 400 Ca 0.37 0.60 0.01 0.00 0.70 0.00 0.00 55.95 57.62 3hqp s SER 400 Cb -0.17 0.48 -0.19 0.00 -1.71 0.00 0.00 66.02 64.44 3hqp s SER 400 CO 0.13 -0.17 -0.12 0.59 1.20 0.00 0.00 173.24 174.86 3hqp n ASN 401 N 4.24 1.93 0.13 5.45 5.03 -1.26 -4.02 115.26 126.77 3hqp n ASN 401 Ca -0.25 -0.08 0.12 0.00 0.87 0.00 0.00 54.58 55.24 3hqp n ASN 401 Cb 0.53 -0.43 0.04 0.00 -1.02 0.00 0.00 39.78 38.90 3hqp n ASN 401 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 3hqp h THR 402 N 0.01 0.00 0.00 3.41 1.35 -1.98 -3.41 112.91 112.29 3hqp h THR 402 Ca -0.55 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 3hqp h THR 402 Cb 1.93 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 3hqp h THR 402 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 3hqp n GLY 403 N 1.16 0.95 0.09 5.82 0.00 -1.26 -4.88 105.19 107.07 3hqp n GLY 403 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3hqp n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hqp h ARG 404 N 3.61 0.05 -0.13 1.61 2.43 -1.93 -1.92 114.38 118.11 3hqp h ARG 404 Ca 0.00 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3hqp h ARG 404 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3hqp h ARG 404 CO 0.00 0.03 -0.27 0.77 -1.51 0.00 0.00 179.97 178.99 3hqp h SER 405 N 0.05 0.23 -0.24 -3.80 0.02 -1.93 -2.48 113.55 105.40 3hqp h SER 405 Ca 0.07 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 3hqp h SER 405 Cb 0.08 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3hqp h SER 405 CO -0.11 0.51 -0.33 0.00 -1.14 0.00 0.00 176.83 175.76 3hqp h ALA 406 N 1.52 0.37 0.00 3.77 0.00 -1.82 -2.10 119.26 120.99 3hqp h ALA 406 Ca 0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3hqp h ALA 406 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hqp h ALA 406 CO 0.04 0.41 -0.13 0.00 0.00 0.00 0.00 179.25 179.57 3hqp h ARG 407 N 0.36 0.00 0.05 0.00 3.08 -1.29 -1.85 114.38 114.73 3hqp h ARG 407 Ca 0.03 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.81 3hqp h ARG 407 Cb 0.91 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.98 3hqp h ARG 407 CO 0.08 0.13 -1.06 1.25 -1.07 0.00 0.00 179.97 179.30 3hqp h LEU 408 N 0.00 0.85 0.07 3.04 5.85 -1.06 -1.65 115.31 122.41 3hqp h LEU 408 Ca -0.00 -0.78 -0.00 0.00 0.84 0.00 0.00 57.88 57.94 3hqp h LEU 408 Cb 0.27 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hqp h LEU 408 CO 0.02 1.53 -0.03 0.58 -0.34 0.00 0.00 178.44 180.19 3hqp h VAL 409 N 0.27 1.14 -0.95 1.05 2.07 -1.32 -3.22 116.25 115.28 3hqp h VAL 409 Ca -0.15 -0.74 0.19 0.00 0.82 0.00 0.00 66.70 66.82 3hqp h VAL 409 Cb 1.73 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 33.04 3hqp h VAL 409 CO 0.21 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.59 3hqp h ALA 410 N 0.47 1.91 -0.66 1.67 0.00 -1.35 0.21 119.26 121.52 3hqp h ALA 410 Ca -0.01 0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.13 3hqp h ALA 410 Cb 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hqp h ALA 410 CO 0.02 -0.23 0.63 -0.22 0.00 0.00 0.00 179.25 179.45 3hqp h LYS 411 N 0.62 0.00 -0.34 0.00 3.64 -1.31 -1.86 116.57 117.33 3hqp h LYS 411 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3hqp h LYS 411 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3hqp h LYS 411 CO -0.26 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.58 3hqp n TYR 412 N -3.76 0.43 -3.63 1.91 4.01 0.75 -4.96 117.16 111.92 3hqp n TYR 412 Ca 0.13 -0.22 -0.25 0.00 -0.16 0.00 0.00 57.90 57.41 3hqp n TYR 412 Cb 0.87 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.93 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 1.23 -1.24 -1.35 -0.72 5.12 -0.70 -4.28 116.66 114.72 3hqp n ARG 413 Ca 0.19 0.70 -0.31 0.00 -1.93 0.00 0.00 57.85 56.50 3hqp n ARG 413 Cb 0.54 -3.77 0.08 0.00 -1.16 0.00 0.00 32.46 28.15 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 -5.26 2.37 -0.26 5.56 0.04 -1.26 -4.50 135.00 131.69 3hqp s PRO 414 Ca 0.26 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.50 3hqp s PRO 414 Cb -0.10 -1.91 0.35 0.00 0.04 0.00 0.00 34.50 32.88 3hqp s PRO 414 CO 0.86 -1.56 1.57 0.27 0.04 0.00 0.00 177.00 178.18 3hqp n ASN 415 N -3.34 3.80 -4.11 6.66 0.23 -1.26 -4.90 115.26 112.34 3hqp n ASN 415 Ca 0.09 -2.92 -0.10 0.00 -0.53 0.00 0.00 54.58 51.12 3hqp n ASN 415 Cb 0.53 -0.73 -0.09 0.00 -2.08 0.00 0.00 39.78 37.41 3hqp n ASN 415 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hqp s PRO 417 N -4.07 4.42 -0.19 0.00 0.02 -1.26 -4.88 135.00 129.03 3hqp s PRO 417 Ca 0.28 2.04 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 3hqp s PRO 417 Cb 0.05 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 3hqp s PRO 417 CO 0.07 -0.19 0.45 0.42 -0.33 0.00 0.00 177.00 177.42 3hqp s ILE 418 N -0.18 5.16 -0.21 2.83 1.01 -0.86 -1.38 121.20 127.57 3hqp s ILE 418 Ca 0.54 0.82 -0.05 0.00 0.00 0.00 0.00 60.65 61.96 3hqp s ILE 418 Cb -0.36 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3hqp s ILE 418 CO 0.40 0.23 0.01 -0.69 0.00 0.00 0.00 174.94 174.89 3hqp s VAL 419 N 1.37 3.97 -0.24 2.92 1.01 0.22 -0.95 120.40 128.70 3hqp s VAL 419 Ca 0.22 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3hqp s VAL 419 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3hqp s VAL 419 CO 0.09 0.41 0.08 0.00 0.00 0.00 0.00 175.10 175.68 3hqp s VAL 421 N 1.42 5.25 0.08 0.00 1.01 -0.72 0.39 120.40 127.84 3hqp s VAL 421 Ca 0.06 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3hqp s VAL 421 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3hqp s VAL 421 CO 0.04 0.02 -0.16 0.28 0.00 0.00 0.00 175.10 175.29 3hqp s THR 422 N 1.84 1.27 -2.33 3.92 -1.32 -0.08 -2.06 115.64 116.88 3hqp s THR 422 Ca 0.08 -1.41 0.22 0.00 -1.21 0.00 0.00 61.69 59.38 3hqp s THR 422 Cb -0.17 -1.24 0.47 0.00 -1.51 0.00 0.00 72.50 70.06 3hqp s THR 422 CO 0.11 -0.21 1.44 0.35 -2.21 0.00 0.00 174.62 174.10 3hqp n THR 423 N 1.14 0.57 -3.96 5.08 -2.24 -1.26 -0.29 114.28 113.32 3hqp n THR 423 Ca -0.20 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.56 3hqp n THR 423 Cb 0.54 0.76 -0.17 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.43 1.93 0.30 -0.78 0.52 -1.26 -4.75 118.95 113.48 3hqp s ARG 424 Ca 0.40 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 3hqp s ARG 424 Cb 0.22 -1.87 0.62 0.00 0.52 0.00 0.00 34.95 34.44 3hqp s ARG 424 CO 0.31 -0.26 1.85 -0.07 0.02 0.00 0.00 175.30 177.15 3hqp h LEU 425 N 8.11 0.86 -1.04 2.53 4.07 -1.96 -2.29 115.31 125.60 3hqp h LEU 425 Ca -0.34 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 3hqp h LEU 425 Cb 1.13 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.71 3hqp h LEU 425 CO 0.47 0.46 0.38 -0.61 -1.08 0.00 0.00 178.44 178.06 3hqp h GLN 426 N 0.93 1.06 -0.64 1.13 4.15 -1.96 -1.76 115.11 118.01 3hqp h GLN 426 Ca 0.48 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.73 3hqp h GLN 426 Cb 0.53 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3hqp h GLN 426 CO -0.24 0.80 0.28 1.15 -1.93 0.00 0.00 178.83 178.88 3hqp h THR 427 N 1.06 1.23 -0.38 2.39 2.02 -1.72 0.16 112.91 117.68 3hqp h THR 427 Ca 0.26 -0.70 0.08 0.00 0.77 0.00 0.00 66.41 66.83 3hqp h THR 427 Cb 0.07 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 66.89 3hqp h THR 427 CO -0.04 0.28 -0.19 0.00 0.37 0.00 0.00 175.52 175.94 3hqp h ARG 429 N -0.13 1.02 0.00 0.00 3.08 -0.85 -3.05 114.38 114.46 3hqp h ARG 429 Ca 0.19 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3hqp h ARG 429 Cb 0.41 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3hqp h ARG 429 CO -0.46 0.90 -0.14 1.96 -1.07 0.00 0.00 179.97 181.17 3hqp h GLN 430 N 0.97 0.00 0.00 0.04 4.20 -0.37 -2.78 115.11 117.16 3hqp h GLN 430 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3hqp h GLN 430 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hqp h GLN 430 CO 0.00 0.14 0.00 1.28 -0.67 0.00 0.00 178.83 179.58 3hqp n LEU 431 N -3.15 0.00 0.13 1.46 4.77 -0.26 -3.38 117.00 116.58 3hqp n LEU 431 Ca 0.03 0.49 0.10 0.00 -0.03 0.00 0.00 56.01 56.59 3hqp n LEU 431 Cb 0.56 -0.49 0.49 0.00 -2.33 0.00 0.00 43.42 41.65 3hqp n LEU 431 CO 0.35 -0.08 0.79 0.59 -1.33 0.00 0.00 177.39 177.71 3hqp n ASN 432 N -1.49 0.49 -1.13 -1.43 3.02 -1.05 -0.70 115.26 112.97 3hqp n ASN 432 Ca 0.06 0.71 0.12 0.00 -0.03 0.00 0.00 54.58 55.44 3hqp n ASN 432 Cb 0.28 -0.78 0.20 0.00 -0.61 0.00 0.00 39.78 38.87 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 -2.14 0.45 -3.80 2.41 -5.35 -1.22 -4.75 119.36 104.97 3hqp n ILE 433 Ca -0.01 -0.73 -0.36 0.00 -0.27 0.00 0.00 62.75 61.38 3hqp n ILE 433 Cb 0.06 1.04 -0.12 0.00 -1.74 0.00 0.00 39.64 38.89 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 -1.53 4.41 0.41 7.28 2.01 0.12 -4.61 115.64 123.73 3hqp s THR 434 Ca 0.37 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 3hqp s THR 434 Cb 0.22 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.58 3hqp s THR 434 CO 0.31 0.35 1.48 1.67 -0.69 0.00 0.00 174.62 177.74 3hqp n GLN 435 N 4.74 2.54 -1.21 4.92 0.00 -1.26 -3.79 117.38 123.33 3hqp n GLN 435 Ca -0.16 0.90 -0.07 0.00 -0.00 0.00 0.00 57.00 57.66 3hqp n GLN 435 Cb 0.52 -2.67 -0.03 0.00 0.00 0.00 0.00 30.24 28.05 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 0.48 0.90 3.22 1.69 0.00 0.05 -4.86 105.19 106.67 3hqp n GLY 436 Ca 0.03 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.15 1.54 -0.04 1.61 1.01 -1.25 -2.04 120.40 119.09 3hqp s VAL 437 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3hqp s VAL 437 Cb 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3hqp s VAL 437 CO 0.00 0.23 0.02 -1.61 0.00 0.00 0.00 175.10 173.74 3hqp s GLU 438 N -0.98 0.29 -0.14 2.72 2.02 -0.12 -4.94 118.70 117.55 3hqp s GLU 438 Ca 0.07 0.16 -0.07 0.00 0.02 0.00 0.00 54.97 55.15 3hqp s GLU 438 Cb -0.08 -0.63 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 3hqp s GLU 438 CO 0.01 -0.23 0.10 -1.12 0.02 0.00 0.00 175.26 174.05 3hqp s SER 439 N 1.56 6.06 -0.13 -0.19 0.01 -1.26 -0.74 113.70 119.02 3hqp s SER 439 Ca -0.02 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.56 3hqp s SER 439 Cb -0.13 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 3hqp s SER 439 CO -0.03 0.32 -0.16 -0.69 0.41 0.00 0.00 173.24 173.09 3hqp s VAL 440 N -0.49 2.73 -0.19 3.43 1.01 0.16 -4.94 120.40 122.10 3hqp s VAL 440 Ca 0.11 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 3hqp s VAL 440 Cb -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3hqp s VAL 440 CO 0.02 0.53 0.71 0.12 0.00 0.00 0.00 175.10 176.48 3hqp s PHE 441 N 0.42 3.38 -0.32 5.22 5.36 -1.26 -0.90 117.98 129.88 3hqp s PHE 441 Ca -0.12 1.05 -0.07 0.00 -0.96 0.00 0.00 56.93 56.82 3hqp s PHE 441 Cb -0.16 -2.89 0.02 0.00 -0.34 0.00 0.00 43.02 39.65 3hqp s PHE 441 CO 0.06 -0.22 0.11 0.12 -1.46 0.00 0.00 175.22 173.83 3hqp s PHE 442 N 2.10 3.20 -0.76 10.12 5.36 0.60 -4.93 117.98 133.68 3hqp s PHE 442 Ca 0.32 -1.13 -0.26 0.00 -0.96 0.00 0.00 56.93 54.90 3hqp s PHE 442 Cb -0.16 -2.30 0.04 0.00 -0.34 0.00 0.00 43.02 40.26 3hqp s PHE 442 CO 0.11 -0.64 1.27 0.34 -1.46 0.00 0.00 175.22 174.83 3hqp s ASP 443 N 1.48 6.19 0.43 6.13 -1.08 -1.26 -4.17 116.67 124.38 3hqp s ASP 443 Ca 0.01 -0.58 0.29 0.00 -0.52 0.00 0.00 52.55 51.76 3hqp s ASP 443 Cb -0.18 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 39.93 3hqp s ASP 443 CO 0.03 -1.78 1.87 0.00 0.52 0.00 0.00 175.17 175.81 3hqp h ALA 444 N 9.97 1.00 0.13 3.66 0.00 -1.86 -1.30 119.26 130.86 3hqp h ALA 444 Ca -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hqp h ALA 444 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hqp h ALA 444 CO 1.28 0.00 -0.06 -0.44 0.00 0.00 0.00 179.25 180.03 3hqp h ASP 445 N 0.00 -0.14 1.68 0.00 3.32 -1.89 -1.95 116.42 117.43 3hqp h ASP 445 Ca 0.00 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 3hqp h ASP 445 Cb 0.45 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hqp h ASP 445 CO 0.00 0.30 -0.33 0.07 -1.72 0.00 0.00 179.24 177.56 3hqp h LYS 446 N -0.62 0.00 -0.00 3.56 2.10 -1.93 -3.37 116.57 116.30 3hqp h LYS 446 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3hqp h LYS 446 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 3hqp h LYS 446 CO 0.03 0.23 -0.04 1.28 -2.00 0.00 0.00 179.45 178.95 3hqp n LEU 447 N -3.13 0.82 0.00 7.07 4.77 -0.51 -5.12 117.00 120.91 3hqp n LEU 447 Ca 0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 3hqp n LEU 447 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3hqp n LEU 447 CO 0.38 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3hqp n GLY 448 N 0.46 0.26 0.12 -0.72 0.00 -0.73 -4.73 105.19 99.84 3hqp n GLY 448 Ca 0.01 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 0.43 0.00 -3.69 1.61 -0.00 -1.26 -4.33 115.22 107.99 3hqp n HIS 449 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 3hqp n HIS 449 Cb 0.00 -0.21 0.04 0.00 -0.00 0.00 0.00 29.99 29.81 3hqp n HIS 449 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3hqp n ASP 450 N -1.05 -4.28 0.27 0.41 2.03 -1.26 -4.85 116.55 107.82 3hqp n ASP 450 Ca 0.11 -0.97 0.15 0.00 0.52 0.00 0.00 54.79 54.59 3hqp n ASP 450 Cb 0.32 -3.55 0.74 0.00 -0.72 0.00 0.00 41.12 37.92 3hqp n ASP 450 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hqp h GLU 451 N -1.83 0.00 -0.09 -0.67 9.09 -2.00 -1.51 114.58 117.57 3hqp h GLU 451 Ca -0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.76 3hqp h GLU 451 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 3hqp h GLU 451 CO 0.51 0.09 0.00 0.41 0.05 0.00 0.00 179.01 180.07 3hqp n GLY 452 N -0.42 0.04 4.16 1.06 0.00 -1.26 -4.89 105.19 103.87 3hqp n GLY 452 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.13 0.00 -0.04 1.61 4.76 -0.57 -4.83 118.16 119.22 3hqp n LYS 453 Ca 0.17 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.49 3hqp n LYS 453 Cb 0.31 -3.49 0.00 0.00 -1.84 0.00 0.00 35.03 30.01 3hqp n LYS 453 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 3hqp h GLU 454 N 0.70 0.74 -0.38 1.97 9.09 -1.93 -2.55 114.58 122.23 3hqp h GLU 454 Ca 0.00 -0.47 -0.15 0.00 0.05 0.00 0.00 59.36 58.80 3hqp h GLU 454 Cb 0.00 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.14 3hqp h GLU 454 CO 0.00 1.09 -0.34 0.45 0.05 0.00 0.00 179.01 180.26 3hqp h HIS 455 N 0.57 1.03 -0.42 2.06 3.86 -1.91 -1.38 115.15 118.97 3hqp h HIS 455 Ca 0.01 -0.29 -0.13 0.00 -1.16 0.00 0.00 60.37 58.80 3hqp h HIS 455 Cb 1.12 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 3hqp h HIS 455 CO 0.06 1.09 -0.26 0.00 0.86 0.00 0.00 177.93 179.68 3hqp h ARG 456 N 0.73 0.92 -0.22 2.45 3.08 -1.91 -1.57 114.38 117.85 3hqp h ARG 456 Ca 0.07 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3hqp h ARG 456 Cb 0.91 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3hqp h ARG 456 CO 0.08 1.08 0.09 0.28 -1.07 0.00 0.00 179.97 180.44 3hqp h VAL 457 N 0.75 1.16 -0.58 2.04 2.07 -1.43 -1.66 116.25 118.60 3hqp h VAL 457 Ca 0.09 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3hqp h VAL 457 Cb 0.83 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 3hqp h VAL 457 CO 0.07 0.16 0.17 0.00 0.02 0.00 0.00 177.57 177.99 3hqp h ALA 458 N 0.94 0.71 -0.21 1.67 0.00 -1.19 0.28 119.26 121.46 3hqp h ALA 458 Ca 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hqp h ALA 458 Cb 0.17 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hqp h ALA 458 CO -0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 179.25 178.90 3hqp h ALA 459 N 1.43 1.46 0.05 0.00 0.00 -0.99 -0.24 119.26 120.97 3hqp h ALA 459 Ca 0.30 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 3hqp h ALA 459 Cb 0.40 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hqp h ALA 459 CO -0.34 0.38 -1.06 0.78 0.00 0.00 0.00 179.25 179.01 3hqp h GLY 460 N 0.77 0.44 0.90 0.00 0.00 -0.53 -2.62 103.07 102.04 3hqp h GLY 460 Ca 0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 3hqp h GLY 460 CO 0.02 0.77 -0.01 -2.08 0.00 0.00 0.00 176.54 175.23 3hqp h VAL 461 N 0.19 1.26 -0.66 4.60 2.07 -0.61 -2.44 116.25 120.66 3hqp h VAL 461 Ca -0.11 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 3hqp h VAL 461 Cb 1.72 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3hqp h VAL 461 CO 0.18 0.32 0.29 -0.08 0.02 0.00 0.00 177.57 178.31 3hqp h GLU 462 N 0.39 0.96 -0.45 1.57 4.57 -1.13 -0.68 114.58 119.82 3hqp h GLU 462 Ca 0.09 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3hqp h GLU 462 Cb 0.47 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3hqp h GLU 462 CO 0.02 0.76 0.19 0.35 -1.18 0.00 0.00 179.01 179.15 3hqp h PHE 463 N 0.95 0.67 -0.25 0.92 3.57 -1.40 -0.88 116.94 120.51 3hqp h PHE 463 Ca 0.23 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3hqp h PHE 463 Cb 0.14 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3hqp h PHE 463 CO 0.01 0.57 0.08 0.00 -2.23 0.00 0.00 178.31 176.74 3hqp h ALA 464 N 1.03 1.67 -0.23 2.41 0.00 -0.99 -1.70 119.26 121.46 3hqp h ALA 464 Ca 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hqp h ALA 464 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hqp h ALA 464 CO -0.01 0.26 -0.03 0.87 0.00 0.00 0.00 179.25 180.33 3hqp h LYS 465 N 0.35 0.43 -0.04 0.00 1.79 -0.78 0.16 116.57 118.48 3hqp h LYS 465 Ca 0.09 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3hqp h LYS 465 Cb 0.11 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3hqp h LYS 465 CO -0.01 0.64 -0.26 0.66 -1.08 0.00 0.00 179.45 179.40 3hqp h SER 466 N 0.18 0.06 0.81 0.86 4.64 -0.71 -1.45 113.55 117.93 3hqp h SER 466 Ca 0.06 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hqp h SER 466 Cb 0.47 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hqp h SER 466 CO 0.02 0.33 -0.09 0.29 -0.87 0.00 0.00 176.83 176.50 3hqp n LYS 467 N -4.20 0.11 -1.18 4.77 4.76 -0.68 -4.92 118.16 116.82 3hqp n LYS 467 Ca -0.02 -0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.37 3hqp n LYS 467 Cb 0.33 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.56 0.21 0.72 0.00 -0.55 -4.95 105.19 102.63 3hqp n GLY 468 Ca 0.08 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 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 0.97 -3.93 1.61 0.05 -0.90 -3.46 116.97 111.31 3hqp h TYR 469 Ca -0.06 -0.42 -0.42 0.00 0.05 0.00 0.00 58.73 57.89 3hqp h TYR 469 Cb 0.26 -0.15 -0.21 0.00 1.01 0.00 0.00 36.73 37.64 3hqp h TYR 469 CO 0.08 1.23 -0.78 0.14 -1.05 0.00 0.00 178.16 177.78 3hqp s VAL 470 N -3.78 1.14 0.34 -2.88 -7.23 -1.17 -4.73 120.40 102.10 3hqp s VAL 470 Ca -0.11 -1.33 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3hqp s VAL 470 Cb 0.08 -1.11 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 3hqp s VAL 470 CO 0.88 -0.23 0.08 -1.10 -0.31 0.00 0.00 175.10 174.42 3hqp s GLN 471 N -1.79 1.71 0.04 4.82 -0.21 -1.26 -4.38 119.66 118.59 3hqp s GLN 471 Ca -0.01 -1.98 -0.38 0.00 0.02 0.00 0.00 55.36 53.00 3hqp s GLN 471 Cb -0.10 -0.73 -0.19 0.00 1.00 0.00 0.00 33.01 32.99 3hqp s GLN 471 CO 0.02 -0.29 1.17 2.41 -2.12 0.00 0.00 175.29 176.48 3hqp n THR 472 N -0.74 0.06 0.00 -0.19 -1.04 -1.25 -1.32 114.28 109.80 3hqp n THR 472 Ca -0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3hqp n THR 472 Cb 0.66 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 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 1.92 1.66 3.80 3.41 0.00 -0.49 -4.99 105.19 110.50 3hqp n GLY 473 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.59 4.86 0.05 1.61 1.01 -0.43 -4.79 116.67 116.38 3hqp s ASP 474 Ca 0.00 1.53 -0.04 0.00 0.71 0.00 0.00 52.55 54.75 3hqp s ASP 474 Cb 0.00 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 3hqp s ASP 474 CO 0.00 -1.77 0.27 -0.31 0.21 0.00 0.00 175.17 173.58 3hqp s TYR 475 N -3.06 3.53 -0.05 4.23 2.02 -1.26 -1.24 117.35 121.53 3hqp s TYR 475 Ca 0.60 0.46 0.01 0.00 -0.37 0.00 0.00 57.07 57.77 3hqp s TYR 475 Cb -0.15 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 3hqp s TYR 475 CO 0.55 0.56 -0.06 0.00 -1.57 0.00 0.00 175.55 175.04 3hqp s VAL 477 N 0.95 5.22 -0.12 0.00 1.01 -0.90 -0.68 120.40 125.88 3hqp s VAL 477 Ca -0.10 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3hqp s VAL 477 Cb -0.14 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3hqp s VAL 477 CO 0.00 0.20 -0.17 -0.69 0.00 0.00 0.00 175.10 174.44 3hqp s VAL 478 N 1.88 2.74 -0.10 2.92 1.01 0.46 -0.93 120.40 128.37 3hqp s VAL 478 Ca 0.13 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3hqp s VAL 478 Cb -0.16 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3hqp s VAL 478 CO 0.10 0.54 -0.20 -0.63 0.00 0.00 0.00 175.10 174.91 3hqp s ILE 479 N 0.28 1.78 0.00 2.22 1.01 0.10 -0.88 121.20 125.72 3hqp s ILE 479 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3hqp s ILE 479 Cb -0.16 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3hqp s ILE 479 CO 0.06 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.50 3hqp n HIS 480 N 3.84 -0.38 -2.81 3.97 1.44 -1.07 -2.15 115.22 118.05 3hqp n HIS 480 Ca -0.20 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.28 3hqp n HIS 480 Cb 0.52 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.65 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 -1.00 3.67 1.00 1.59 0.00 -1.26 -1.78 121.76 123.98 3hqp s ALA 481 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3hqp s ALA 481 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3hqp s ALA 481 CO 0.00 -0.51 0.00 -0.40 0.00 0.00 0.00 175.76 174.85 3hqp n ASP 482 N -2.22 -0.37 0.15 0.00 5.68 -1.26 -4.86 116.55 113.67 3hqp n ASP 482 Ca 0.03 -0.38 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 3hqp n ASP 482 Cb 0.58 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.89 0.00 0.00 2.11 -0.00 -1.98 -3.36 115.15 111.03 3hqp h HIS 483 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.17 3hqp h HIS 483 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 3hqp h HIS 483 CO 0.00 0.56 -1.12 -0.22 -0.00 0.00 0.00 177.93 177.15 3hqp h LYS 484 N 0.00 0.00 -6.88 5.26 3.64 -1.96 -3.48 116.57 113.15 3hqp h LYS 484 Ca -0.01 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3hqp h LYS 484 Cb 1.04 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 32.94 3hqp h LYS 484 CO 0.07 0.88 0.70 0.08 -2.27 0.00 0.00 179.45 178.92 3hqp s VAL 485 N -2.34 2.48 -0.03 2.00 1.01 -1.26 -5.03 120.40 117.24 3hqp s VAL 485 Ca -0.27 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3hqp s VAL 485 Cb 0.05 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3hqp s VAL 485 CO 0.55 0.11 -0.09 -0.54 0.00 0.00 0.00 175.10 175.12 3hqp s LYS 486 N -1.69 1.00 0.00 2.72 -0.14 -1.26 -4.68 119.74 115.70 3hqp s LYS 486 Ca 0.52 -0.32 0.00 0.00 -1.36 0.00 0.00 55.97 54.81 3hqp s LYS 486 Cb -0.42 -0.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.79 3hqp s LYS 486 CO 0.55 0.11 0.00 0.41 -0.76 0.00 0.00 175.35 175.66 3hqp n GLY 487 N 3.30 1.52 3.71 -3.33 0.00 -1.26 -5.04 105.19 104.09 3hqp n GLY 487 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.26 -0.25 -0.18 1.61 -0.85 -1.26 -5.07 117.35 109.09 3hqp s TYR 488 Ca 0.00 -0.08 -0.20 0.00 -0.52 0.00 0.00 57.07 56.27 3hqp s TYR 488 Cb 0.00 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.95 3hqp s TYR 488 CO 0.00 -0.96 0.57 0.00 -1.52 0.00 0.00 175.55 173.64 3hqp s ALA 489 N -3.60 3.52 -0.22 9.51 0.00 -1.26 -4.36 121.76 125.35 3hqp s ALA 489 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3hqp s ALA 489 Cb -0.03 -2.87 0.07 0.00 0.00 0.00 0.00 23.12 20.29 3hqp s ALA 489 CO 0.00 -0.42 1.04 0.27 0.00 0.00 0.00 175.76 176.65 3hqp n ASN 490 N 4.71 2.17 -3.81 0.00 6.94 -1.14 -4.31 115.26 119.83 3hqp n ASN 490 Ca -0.03 -1.96 -0.14 0.00 -0.02 0.00 0.00 54.58 52.43 3hqp n ASN 490 Cb 0.50 -0.05 -0.15 0.00 -2.36 0.00 0.00 39.78 37.72 3hqp n ASN 490 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3hqp s GLN 491 N -0.97 -0.01 0.07 -3.83 0.74 -0.73 -4.86 119.66 110.06 3hqp s GLN 491 Ca 0.05 0.12 0.10 0.00 0.05 0.00 0.00 55.36 55.68 3hqp s GLN 491 Cb 0.03 -0.13 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 3hqp s GLN 491 CO 0.04 -0.09 -0.26 0.95 -0.55 0.00 0.00 175.29 175.37 3hqp s THR 492 N 0.59 2.19 0.03 -0.34 -4.23 -1.26 -2.60 115.64 110.02 3hqp s THR 492 Ca -0.05 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 3hqp s THR 492 Cb -0.07 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 3hqp s THR 492 CO -0.02 0.30 -0.09 0.00 -0.54 0.00 0.00 174.62 174.27 3hqp s ARG 493 N -1.44 0.62 -0.29 3.99 1.70 -0.06 -4.99 118.95 118.47 3hqp s ARG 493 Ca 0.12 -0.59 -0.07 0.00 -0.47 0.00 0.00 55.73 54.73 3hqp s ARG 493 Cb -0.10 -0.52 0.01 0.00 -0.57 0.00 0.00 34.95 33.77 3hqp s ARG 493 CO 0.03 0.12 0.07 0.42 -1.08 0.00 0.00 175.30 174.87 3hqp s ILE 494 N -0.84 3.91 0.19 4.99 1.01 -1.26 -0.40 121.20 128.79 3hqp s ILE 494 Ca -0.03 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 60.01 3hqp s ILE 494 Cb -0.07 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3hqp s ILE 494 CO 0.00 0.08 -0.21 -1.48 0.00 0.00 0.00 174.94 173.33 3hqp s LEU 495 N 1.49 2.45 -0.29 2.97 0.05 0.14 -4.94 118.68 120.56 3hqp s LEU 495 Ca 0.02 -0.89 -0.18 0.00 0.05 0.00 0.00 54.13 53.14 3hqp s LEU 495 Cb -0.17 -1.01 -0.02 0.00 -2.05 0.00 0.00 46.19 42.94 3hqp s LEU 495 CO 0.02 0.04 0.50 -0.22 -0.55 0.00 0.00 176.35 176.15 3hqp s LEU 496 N -2.77 4.13 0.31 1.48 2.96 -1.26 -0.21 118.68 123.32 3hqp s LEU 496 Ca 0.20 0.35 -0.28 0.00 -0.22 0.00 0.00 54.13 54.17 3hqp s LEU 496 Cb -0.07 -2.62 -0.10 0.00 0.50 0.00 0.00 46.19 43.91 3hqp s LEU 496 CO 0.09 -0.34 1.15 0.68 -1.32 0.00 0.00 176.35 176.61 3hqp s VAL 497 N 2.32 3.30 -2.32 1.68 -7.23 -0.37 -4.88 120.40 112.90 3hqp s VAL 497 Ca 0.20 1.26 0.19 0.00 -1.81 0.00 0.00 61.98 61.81 3hqp s VAL 497 Cb -0.16 -3.78 0.15 0.00 0.56 0.00 0.00 36.38 33.15 3hqp s VAL 497 CO 0.10 0.26 1.09 -0.62 -0.31 0.00 0.00 175.10 175.62