#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 0.36 -0.37 4.33 5.75 -2.05 -1.48 115.11 121.65 3hqp h GLN 2 Ca 0.00 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 3hqp h GLN 2 Cb 0.00 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 3hqp h GLN 2 CO 0.00 0.24 -0.24 1.25 -2.65 0.00 0.00 178.83 177.43 3hqp h LEU 3 N 0.38 0.74 -0.13 -2.39 6.46 -2.07 -2.64 115.31 115.66 3hqp h LEU 3 Ca 0.18 -0.27 -0.24 0.00 -0.12 0.00 0.00 57.88 57.43 3hqp h LEU 3 Cb 0.23 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 39.96 3hqp h LEU 3 CO -0.04 0.96 -0.91 0.00 -0.62 0.00 0.00 178.44 177.83 3hqp h ALA 4 N 1.10 0.28 -0.76 1.25 0.00 -1.86 -3.20 119.26 116.07 3hqp h ALA 4 Ca 0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3hqp h ALA 4 Cb 0.74 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3hqp h ALA 4 CO 0.06 0.72 0.44 1.25 0.00 0.00 0.00 179.25 181.72 3hqp h HIS 5 N 0.40 1.01 -0.26 0.00 -0.00 -1.27 -2.33 115.15 112.69 3hqp h HIS 5 Ca -0.09 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3hqp h HIS 5 Cb 1.54 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 3hqp h HIS 5 CO 0.08 0.68 0.18 -0.91 -0.00 0.00 0.00 177.93 177.96 3hqp h ASN 6 N 1.05 0.10 1.20 3.26 2.35 -1.46 -1.51 115.58 120.57 3hqp h ASN 6 Ca 0.27 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3hqp h ASN 6 Cb -0.02 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hqp h ASN 6 CO -0.05 0.06 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 3hqp n LEU 7 N -4.48 0.69 -0.43 1.61 4.77 -0.88 -2.87 117.00 115.40 3hqp n LEU 7 Ca 0.03 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 3hqp n LEU 7 Cb 0.26 -0.41 0.52 0.00 -2.33 0.00 0.00 43.42 41.46 3hqp n LEU 7 CO 0.35 -0.28 0.86 0.35 -1.33 0.00 0.00 177.39 177.35 3hqp n THR 8 N -2.17 0.07 -3.81 -5.08 -2.24 -0.57 -4.93 114.28 95.55 3hqp n THR 8 Ca 0.05 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 3hqp n THR 8 Cb 0.36 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.84 4.36 0.10 3.22 1.43 -1.14 -5.11 118.68 119.70 3hqp s LEU 9 Ca 0.37 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.99 3hqp s LEU 9 Cb 0.20 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3hqp s LEU 9 CO 0.31 0.23 -0.13 -0.55 0.23 0.00 0.00 176.35 176.43 3hqp s SER 10 N -1.93 1.78 0.38 2.29 0.15 -1.26 -5.04 113.70 110.06 3hqp s SER 10 Ca 0.30 -0.76 0.18 0.00 0.70 0.00 0.00 55.95 56.37 3hqp s SER 10 Cb -0.13 -0.04 0.76 0.00 -1.71 0.00 0.00 66.02 64.89 3hqp s SER 10 CO 0.19 -0.15 1.79 0.16 1.20 0.00 0.00 173.24 176.42 3hqp h ILE 11 N 3.75 0.99 0.00 6.45 3.07 -2.02 -3.20 117.51 126.54 3hqp h ILE 11 Ca -0.39 -1.40 -0.05 0.00 1.55 0.00 0.00 64.86 64.56 3hqp h ILE 11 Cb 1.19 1.82 -0.01 0.00 -0.27 0.00 0.00 36.82 39.56 3hqp h ILE 11 CO 0.48 0.36 -0.25 -0.26 -1.05 0.00 0.00 178.15 177.44 3hqp h PHE 12 N 0.00 0.00 -1.44 0.16 0.04 -2.04 -3.46 116.94 110.19 3hqp h PHE 12 Ca -0.00 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.08 3hqp h PHE 12 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 3hqp h PHE 12 CO 0.00 0.25 1.17 -0.25 -0.60 0.00 0.00 178.31 178.87 3hqp n ASP 13 N -3.22 2.50 -4.76 2.17 8.00 -1.21 -4.88 116.55 115.15 3hqp n ASP 13 Ca 0.02 0.77 -0.41 0.00 0.71 0.00 0.00 54.79 55.88 3hqp n ASP 13 Cb 0.57 -1.24 -0.00 0.00 -0.02 0.00 0.00 41.12 40.43 3hqp n ASP 13 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3hqp n PRO 14 N 6.87 2.57 -1.53 -0.24 -0.02 -1.26 -4.99 135.00 136.40 3hqp n PRO 14 Ca 0.32 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 62.41 3hqp n PRO 14 Cb 0.20 -2.61 0.11 0.00 -0.02 0.00 0.00 33.50 31.18 3hqp n PRO 14 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hqp s VAL 15 N -1.12 2.70 0.90 -1.45 -7.23 -1.26 -5.03 120.40 107.91 3hqp s VAL 15 Ca 0.54 0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.82 3hqp s VAL 15 Cb -0.49 -2.96 0.13 0.00 0.56 0.00 0.00 36.38 33.62 3hqp s VAL 15 CO 0.63 -0.30 1.09 0.00 -0.31 0.00 0.00 175.10 176.22 3hqp s ALA 16 N -3.18 1.48 -2.17 1.32 0.00 -1.26 -4.94 121.76 113.00 3hqp s ALA 16 Ca 0.62 0.11 0.20 0.00 0.00 0.00 0.00 51.96 52.88 3hqp s ALA 16 Cb -0.15 -3.26 0.87 0.00 0.00 0.00 0.00 23.12 20.58 3hqp s ALA 16 CO 0.54 -2.45 1.60 0.27 0.00 0.00 0.00 175.76 175.72 3hqp n ASN 17 N -3.97 1.04 -3.91 0.00 2.04 -1.26 -4.82 115.26 104.38 3hqp n ASN 17 Ca 0.08 -1.61 -0.11 0.00 -0.44 0.00 0.00 54.58 52.50 3hqp n ASN 17 Cb 0.54 -0.07 -0.11 0.00 -2.53 0.00 0.00 39.78 37.61 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 -1.87 0.10 -0.19 -2.53 -0.85 -1.26 -5.06 117.35 105.70 3hqp s TYR 18 Ca 0.30 -0.22 -0.10 0.00 -0.52 0.00 0.00 57.07 56.53 3hqp s TYR 18 Cb 0.15 -0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 3hqp s TYR 18 CO 0.24 -0.20 0.14 0.50 -1.52 0.00 0.00 175.55 174.72 3hqp s ARG 19 N -1.13 4.11 -0.14 -3.49 3.52 -1.26 -5.01 118.95 115.55 3hqp s ARG 19 Ca -0.12 -0.18 -0.20 0.00 -0.13 0.00 0.00 55.73 55.09 3hqp s ARG 19 Cb -0.07 -3.39 -0.25 0.00 -1.56 0.00 0.00 34.95 29.68 3hqp s ARG 19 CO 0.00 0.35 0.51 0.00 -0.81 0.00 0.00 175.30 175.36 3hqp h ALA 20 N 6.46 0.16 -2.98 6.12 0.00 -1.94 -3.43 119.26 123.64 3hqp h ALA 20 Ca -0.43 -0.99 -0.55 0.00 0.00 0.00 0.00 54.91 52.95 3hqp h ALA 20 Cb 1.16 0.44 0.14 0.00 0.00 0.00 0.00 17.79 19.53 3hqp h ALA 20 CO 0.74 0.61 0.51 0.00 0.00 0.00 0.00 179.25 181.11 3hqp s ALA 21 N -2.39 2.50 0.09 0.00 0.00 -1.26 -0.28 121.76 120.42 3hqp s ALA 21 Ca -0.22 1.15 0.06 0.00 0.00 0.00 0.00 51.96 52.95 3hqp s ALA 21 Cb 0.03 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3hqp s ALA 21 CO 0.70 -1.39 -0.06 1.03 0.00 0.00 0.00 175.76 176.04 3hqp s ARG 22 N -3.30 2.31 -0.15 0.00 1.81 -0.29 -4.89 118.95 114.45 3hqp s ARG 22 Ca 0.79 -0.93 -0.00 0.00 -1.72 0.00 0.00 55.73 53.86 3hqp s ARG 22 Cb -0.35 -2.41 -0.01 0.00 -0.45 0.00 0.00 34.95 31.73 3hqp s ARG 22 CO 0.38 0.53 -0.13 0.42 -0.68 0.00 0.00 175.30 175.81 3hqp s ILE 23 N -1.24 2.91 -0.19 1.52 1.01 -1.26 -1.11 121.20 122.84 3hqp s ILE 23 Ca 0.23 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 3hqp s ILE 23 Cb -0.11 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3hqp s ILE 23 CO 0.15 0.51 0.03 -0.63 0.00 0.00 0.00 174.94 175.00 3hqp s ILE 24 N 0.70 4.42 -0.13 2.92 1.01 -0.55 -1.39 121.20 128.18 3hqp s ILE 24 Ca -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 3hqp s ILE 24 Cb -0.15 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3hqp s ILE 24 CO 0.02 0.45 -0.11 0.00 0.00 0.00 0.00 174.94 175.29 3hqp s THR 26 N 0.31 4.91 -0.27 0.00 -4.23 -0.70 -0.27 115.64 115.40 3hqp s THR 26 Ca -0.09 1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 61.60 3hqp s THR 26 Cb -0.15 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.68 3hqp s THR 26 CO 0.05 0.39 0.22 -0.63 -0.54 0.00 0.00 174.62 174.12 3hqp s ILE 27 N -0.06 5.29 0.00 2.99 -1.09 -0.31 -2.60 121.20 125.42 3hqp s ILE 27 Ca 0.32 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 3hqp s ILE 27 Cb -0.18 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3hqp s ILE 27 CO 0.18 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 3hqp n GLY 28 N 4.82 5.38 0.39 6.18 0.00 -1.24 -4.73 105.19 116.01 3hqp n GLY 28 Ca -0.13 -1.67 0.21 0.00 0.00 0.00 0.00 46.02 44.43 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 0.44 0.00 1.61 0.11 -1.72 -0.17 132.00 132.26 3hqp h PRO 29 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3hqp h PRO 29 Cb 0.00 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 3hqp h PRO 29 CO 0.00 0.29 -0.15 0.77 -0.21 0.00 0.00 178.00 178.70 3hqp h SER 30 N 0.45 0.00 0.00 -2.05 0.02 -1.65 -3.36 113.55 106.97 3hqp h SER 30 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 3hqp h SER 30 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3hqp h SER 30 CO -0.32 0.15 -0.05 0.35 -1.14 0.00 0.00 176.83 175.83 3hqp n THR 31 N -3.55 0.47 0.09 -2.27 -2.24 -0.17 -4.85 114.28 101.76 3hqp n THR 31 Ca -0.01 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 3hqp n THR 31 Cb 0.30 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 3hqp n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqp h GLN 32 N 0.00 0.00 -7.04 -0.78 4.15 -1.46 -3.35 115.11 106.63 3hqp h GLN 32 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 3hqp h GLN 32 Cb 0.86 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.66 3hqp h GLN 32 CO 0.00 0.68 0.54 -1.54 -1.93 0.00 0.00 178.83 176.58 3hqp s SER 33 N -6.50 5.61 0.53 -0.69 1.04 -1.26 -4.82 113.70 107.62 3hqp s SER 33 Ca 0.02 2.53 0.22 0.00 0.48 0.00 0.00 55.95 59.19 3hqp s SER 33 Cb 0.09 -2.62 1.44 0.00 0.10 0.00 0.00 66.02 65.03 3hqp s SER 33 CO 0.78 -1.32 2.15 -0.37 0.98 0.00 0.00 173.24 175.47 3hqp h VAL 34 N 1.53 0.81 -0.00 5.02 -1.51 -1.88 -1.33 116.25 118.88 3hqp h VAL 34 Ca -0.50 -0.16 -0.18 0.00 -1.23 0.00 0.00 66.70 64.63 3hqp h VAL 34 Cb 1.28 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 3hqp h VAL 34 CO 0.58 0.04 -0.81 -0.08 -1.23 0.00 0.00 177.57 176.07 3hqp h GLU 35 N 0.00 0.11 -0.20 5.19 4.57 -1.95 -1.32 114.58 120.98 3hqp h GLU 35 Ca -0.00 -0.11 -0.15 0.00 -1.18 0.00 0.00 59.36 57.92 3hqp h GLU 35 Cb 0.09 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3hqp h GLU 35 CO 0.01 0.86 -0.49 0.00 -1.18 0.00 0.00 179.01 178.21 3hqp h ALA 36 N 1.10 0.78 -0.21 2.92 0.00 -1.57 -2.72 119.26 119.56 3hqp h ALA 36 Ca -0.02 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 3hqp h ALA 36 Cb 1.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hqp h ALA 36 CO 0.12 0.67 -0.59 -0.07 0.00 0.00 0.00 179.25 179.37 3hqp h LEU 37 N 0.42 0.77 -0.16 0.00 3.38 -1.21 -1.25 115.31 117.27 3hqp h LEU 37 Ca 0.02 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3hqp h LEU 37 Cb 1.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3hqp h LEU 37 CO 0.09 1.19 0.10 0.11 0.09 0.00 0.00 178.44 180.02 3hqp h LYS 38 N 0.51 0.20 -0.91 1.13 1.57 -1.24 0.11 116.57 117.95 3hqp h LYS 38 Ca -0.00 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3hqp h LYS 38 Cb 1.17 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.34 3hqp h LYS 38 CO 0.12 0.14 0.52 0.78 -0.57 0.00 0.00 179.45 180.44 3hqp h GLY 39 N 0.21 1.52 0.84 3.86 0.00 -1.36 0.01 103.07 108.15 3hqp h GLY 39 Ca 0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 3hqp h GLY 39 CO -0.02 0.02 -0.16 -2.00 0.00 0.00 0.00 176.54 174.38 3hqp h LEU 40 N 0.76 0.52 -0.32 3.11 5.85 -0.55 -0.23 115.31 124.44 3hqp h LEU 40 Ca 0.49 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hqp h LEU 40 Cb 0.63 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3hqp h LEU 40 CO -0.33 0.86 0.19 0.40 -0.34 0.00 0.00 178.44 179.22 3hqp h ILE 41 N 0.18 1.05 0.00 4.05 2.04 -0.55 -1.29 117.51 122.99 3hqp h ILE 41 Ca 0.04 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3hqp h ILE 41 Cb 0.69 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3hqp h ILE 41 CO 0.04 0.07 -0.26 1.56 0.00 0.00 0.00 178.15 179.57 3hqp h GLN 42 N 0.40 0.00 0.00 2.37 4.20 -0.87 -2.37 115.11 118.84 3hqp h GLN 42 Ca 0.12 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3hqp h GLN 42 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hqp h GLN 42 CO -0.05 0.26 -0.47 0.77 -0.67 0.00 0.00 178.83 178.66 3hqp h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.78 -3.47 113.55 110.78 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 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3hqp h SER 43 CO 0.03 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 3hqp n GLY 44 N 0.89 -0.56 3.73 -3.77 0.00 -0.82 -4.03 105.19 100.64 3hqp n GLY 44 Ca 0.01 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 4.41 -0.08 1.61 0.00 -0.55 -4.35 119.30 120.33 3hqp s MET 45 Ca 0.00 2.00 0.06 0.00 0.00 0.00 0.00 55.69 57.75 3hqp s MET 45 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 34.83 31.52 3hqp s MET 45 CO 0.00 -0.24 0.00 0.43 0.00 0.00 0.00 175.02 175.22 3hqp n SER 46 N 2.82 3.08 -4.01 1.11 7.64 -0.48 -4.62 113.62 119.16 3hqp n SER 46 Ca 0.06 -0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.68 3hqp n SER 46 Cb 0.43 0.53 -0.17 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.19 1.18 -0.27 0.44 1.01 -1.12 -1.85 120.40 117.60 3hqp s VAL 47 Ca -0.06 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 3hqp s VAL 47 Cb 0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3hqp s VAL 47 CO 0.31 0.37 0.43 0.00 0.00 0.00 0.00 175.10 176.21 3hqp s ALA 48 N 0.94 3.57 -0.27 5.51 0.00 -0.12 -1.11 121.76 130.28 3hqp s ALA 48 Ca -0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 3hqp s ALA 48 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 3hqp s ALA 48 CO 0.00 -0.72 0.17 0.50 0.00 0.00 0.00 175.76 175.71 3hqp s ARG 49 N 2.16 3.96 -0.35 0.00 3.52 0.63 -0.99 118.95 127.88 3hqp s ARG 49 Ca 0.17 -0.32 -0.14 0.00 -0.13 0.00 0.00 55.73 55.32 3hqp s ARG 49 Cb -0.16 -3.61 -0.01 0.00 -1.56 0.00 0.00 34.95 29.61 3hqp s ARG 49 CO 0.10 -0.12 0.27 -1.64 -0.81 0.00 0.00 175.30 173.10 3hqp s MET 50 N 1.57 3.41 -0.51 5.12 -1.94 0.31 -1.16 119.30 126.10 3hqp s MET 50 Ca 0.07 -0.68 -0.22 0.00 -1.71 0.00 0.00 55.69 53.15 3hqp s MET 50 Cb -0.15 -3.84 0.04 0.00 2.01 0.00 0.00 34.83 32.89 3hqp s MET 50 CO 0.09 -0.51 0.79 1.21 -0.01 0.00 0.00 175.02 176.59 3hqp s ASN 51 N 1.72 6.32 0.00 3.03 3.84 -1.26 0.53 114.94 129.12 3hqp s ASN 51 Ca 0.07 -0.45 0.20 0.00 0.21 0.00 0.00 52.86 52.88 3hqp s ASN 51 Cb -0.18 -2.37 1.17 0.00 -0.55 0.00 0.00 41.25 39.32 3hqp s ASN 51 CO 0.11 -1.02 1.63 0.49 -2.79 0.00 0.00 177.10 175.51 3hqp n PHE 52 N 6.83 0.00 0.30 0.43 3.01 0.65 -1.80 117.46 126.89 3hqp n PHE 52 Ca -0.01 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 3hqp n PHE 52 Cb 0.47 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.61 3hqp n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hqp h SER 53 N 0.00 0.00 -3.73 4.37 0.02 -1.83 -3.43 113.55 108.94 3hqp h SER 53 Ca 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 3hqp h SER 53 Cb 0.00 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.38 3hqp h SER 53 CO 0.00 0.00 -0.74 -1.00 -1.14 0.00 0.00 176.83 173.95 3hqp s HIS 54 N -3.62 1.49 0.00 3.45 3.76 -0.74 -5.03 115.29 114.60 3hqp s HIS 54 Ca 0.01 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 3hqp s HIS 54 Cb 0.09 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 33.04 3hqp s HIS 54 CO 0.50 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 175.01 3hqp n GLY 55 N 0.05 0.54 3.76 -2.22 0.00 -1.26 -4.86 105.19 101.20 3hqp n GLY 55 Ca -0.12 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 -0.29 0.37 1.61 1.04 -1.26 -4.98 113.70 106.18 3hqp s SER 56 Ca 0.00 -0.54 0.12 0.00 0.48 0.00 0.00 55.95 56.01 3hqp s SER 56 Cb 0.00 0.69 0.91 0.00 0.10 0.00 0.00 66.02 67.72 3hqp s SER 56 CO 0.00 -1.26 1.84 0.45 0.98 0.00 0.00 173.24 175.24 3hqp h HIS 57 N 2.03 0.77 0.02 5.02 -0.00 -1.98 0.13 115.15 121.14 3hqp h HIS 57 Ca -0.22 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.17 3hqp h HIS 57 Cb 1.26 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 3hqp h HIS 57 CO 0.39 0.22 -0.01 1.49 -0.00 0.00 0.00 177.93 180.03 3hqp h GLU 58 N 0.60 -0.02 -0.35 2.45 4.81 -1.99 0.45 114.58 120.53 3hqp h GLU 58 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 3hqp h GLU 58 Cb 0.96 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 3hqp h GLU 58 CO -0.24 0.10 0.22 -0.92 -0.73 0.00 0.00 179.01 177.44 3hqp h TYR 59 N -0.14 0.46 0.00 0.92 3.20 -1.62 -2.78 116.97 117.02 3hqp h TYR 59 Ca -0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3hqp h TYR 59 Cb 0.13 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3hqp h TYR 59 CO -0.04 0.32 -0.41 0.45 -1.64 0.00 0.00 178.16 176.84 3hqp h HIS 60 N 0.47 0.00 -0.75 -3.82 3.86 -0.99 -2.65 115.15 111.27 3hqp h HIS 60 Ca 0.13 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3hqp h HIS 60 Cb -0.02 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3hqp h HIS 60 CO -0.04 0.41 0.48 0.37 0.86 0.00 0.00 177.93 180.00 3hqp h GLN 61 N 0.00 0.91 -1.01 2.45 5.75 -0.64 0.00 115.11 122.58 3hqp h GLN 61 Ca -0.00 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3hqp h GLN 61 Cb 0.84 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 29.12 3hqp h GLN 61 CO 0.05 0.60 0.66 1.15 -2.65 0.00 0.00 178.83 178.65 3hqp h THR 62 N 0.93 1.19 0.14 2.39 2.02 -1.24 -0.76 112.91 117.58 3hqp h THR 62 Ca 0.30 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3hqp h THR 62 Cb -0.00 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.19 3hqp h THR 62 CO -0.10 0.24 -0.07 0.74 0.37 0.00 0.00 175.52 176.69 3hqp h THR 63 N 1.29 0.99 -0.45 3.16 2.02 -1.19 -0.85 112.91 117.88 3hqp h THR 63 Ca 0.40 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 67.08 3hqp h THR 63 Cb -0.02 1.36 -0.10 0.00 -1.74 0.00 0.00 68.15 67.64 3hqp h THR 63 CO -0.12 0.14 -0.28 0.40 0.37 0.00 0.00 175.52 176.04 3hqp h ILE 64 N -0.47 0.28 -0.91 3.11 2.04 -0.75 0.14 117.51 120.95 3hqp h ILE 64 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hqp h ILE 64 Cb 0.37 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3hqp h ILE 64 CO 0.03 0.00 0.52 0.78 0.00 0.00 0.00 178.15 179.48 3hqp h ASN 65 N -0.18 1.12 -0.06 1.72 2.35 -1.12 -2.54 115.58 116.86 3hqp h ASN 65 Ca 0.20 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 3hqp h ASN 65 Cb 0.51 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.60 3hqp h ASN 65 CO -0.56 0.88 -0.46 0.78 -1.65 0.00 0.00 177.43 176.43 3hqp h ASN 66 N 1.26 0.50 -0.09 5.81 2.35 -0.28 -2.06 115.58 123.08 3hqp h ASN 66 Ca 0.32 -0.68 0.04 0.00 -0.55 0.00 0.00 56.30 55.43 3hqp h ASN 66 Cb -0.01 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 3hqp h ASN 66 CO -0.06 1.11 -0.24 0.58 -1.65 0.00 0.00 177.43 177.18 3hqp h VAL 67 N -0.06 0.44 -0.79 2.81 2.07 -0.79 0.16 116.25 120.08 3hqp h VAL 67 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 3hqp h VAL 67 Cb 1.13 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3hqp h VAL 67 CO 0.09 0.00 0.42 0.03 0.02 0.00 0.00 177.57 178.13 3hqp h ARG 68 N -0.32 0.64 -0.01 1.57 3.08 -1.50 0.79 114.38 118.62 3hqp h ARG 68 Ca 0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hqp h ARG 68 Cb 0.45 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hqp h ARG 68 CO -0.28 0.42 -0.00 0.37 -1.07 0.00 0.00 179.97 179.42 3hqp h GLN 69 N 0.66 0.03 -0.98 0.04 4.15 -0.72 -1.48 115.11 116.80 3hqp h GLN 69 Ca 0.41 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.85 3hqp h GLN 69 Cb 0.47 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.10 3hqp h GLN 69 CO -0.30 0.35 0.64 0.00 -1.93 0.00 0.00 178.83 177.60 3hqp h ALA 70 N 0.67 1.36 -0.31 3.38 0.00 -0.46 -1.42 119.26 122.49 3hqp h ALA 70 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hqp h ALA 70 Cb 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hqp h ALA 70 CO 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 179.25 179.49 3hqp h ALA 71 N 1.43 0.89 -0.63 0.00 0.00 -0.80 -2.47 119.26 117.67 3hqp h ALA 71 Ca 0.39 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hqp h ALA 71 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hqp h ALA 71 CO -0.12 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.84 3hqp h ALA 72 N 1.11 0.97 0.00 0.00 0.00 -0.64 0.73 119.26 121.42 3hqp h ALA 72 Ca 0.07 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3hqp h ALA 72 Cb 0.80 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hqp h ALA 72 CO 0.07 0.65 -0.54 0.93 0.00 0.00 0.00 179.25 180.35 3hqp h GLU 73 N 0.97 0.00 -0.01 0.00 5.08 -1.16 -2.85 114.58 116.63 3hqp h GLU 73 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3hqp h GLU 73 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3hqp h GLU 73 CO 0.01 0.54 -0.59 1.28 -1.00 0.00 0.00 179.01 179.25 3hqp n LEU 74 N -3.44 1.11 -1.32 1.33 4.77 -0.94 -4.99 117.00 113.51 3hqp n LEU 74 Ca 0.00 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.51 3hqp n LEU 74 Cb 0.65 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 3hqp n LEU 74 CO 0.40 0.23 -0.07 0.61 -1.33 0.00 0.00 177.39 177.23 3hqp n GLY 75 N 1.45 0.03 3.54 -0.72 0.00 0.09 -5.04 105.19 104.54 3hqp n GLY 75 Ca 0.07 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.65 1.87 -0.25 1.61 -7.23 -0.30 -5.02 120.40 108.42 3hqp s VAL 76 Ca 0.07 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 3hqp s VAL 76 Cb -0.03 -2.77 -0.00 0.00 0.56 0.00 0.00 36.38 34.14 3hqp s VAL 76 CO 0.08 -0.11 0.01 0.20 -0.31 0.00 0.00 175.10 174.98 3hqp s ASN 77 N -3.60 4.71 -0.11 4.85 0.01 -1.26 -4.46 114.94 115.08 3hqp s ASN 77 Ca 0.34 -0.53 0.01 0.00 -0.71 0.00 0.00 52.86 51.96 3hqp s ASN 77 Cb 0.07 -1.81 -0.01 0.00 0.41 0.00 0.00 41.25 39.91 3hqp s ASN 77 CO 0.16 -0.09 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.88 3hqp s ILE 78 N 1.49 2.92 0.44 0.60 -1.09 -1.26 -4.78 121.20 119.52 3hqp s ILE 78 Ca 0.04 -0.72 -0.23 0.00 -2.23 0.00 0.00 60.65 57.51 3hqp s ILE 78 Cb -0.16 -2.20 -0.08 0.00 -1.58 0.00 0.00 42.46 38.44 3hqp s ILE 78 CO -0.00 0.54 1.10 0.00 -1.23 0.00 0.00 174.94 175.35 3hqp s ALA 79 N 0.18 3.01 -0.17 9.38 0.00 -0.77 -4.91 121.76 128.48 3hqp s ALA 79 Ca -0.08 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3hqp s ALA 79 Cb -0.15 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.66 3hqp s ALA 79 CO 0.05 -0.44 -0.20 0.42 0.00 0.00 0.00 175.76 175.59 3hqp s ILE 80 N -1.63 2.04 -0.16 0.00 1.01 -1.26 -0.95 121.20 120.25 3hqp s ILE 80 Ca 0.61 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 3hqp s ILE 80 Cb -0.25 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 3hqp s ILE 80 CO 0.30 0.54 -0.08 0.00 0.00 0.00 0.00 174.94 175.70 3hqp s ALA 81 N 1.20 2.78 -0.28 9.38 0.00 -0.16 -1.57 121.76 133.11 3hqp s ALA 81 Ca 0.02 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.83 3hqp s ALA 81 Cb -0.14 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3hqp s ALA 81 CO -0.11 0.08 0.72 -1.17 0.00 0.00 0.00 175.76 175.28 3hqp s LEU 82 N 0.62 4.09 -0.35 0.00 0.20 -0.77 -0.53 118.68 121.93 3hqp s LEU 82 Ca -0.05 0.68 -0.14 0.00 0.69 0.00 0.00 54.13 55.31 3hqp s LEU 82 Cb -0.15 -2.98 -0.01 0.00 -0.43 0.00 0.00 46.19 42.62 3hqp s LEU 82 CO 0.03 -0.51 0.27 -0.62 -0.29 0.00 0.00 176.35 175.23 3hqp s ASP 83 N 1.54 6.09 0.72 3.68 -1.08 0.19 -0.29 116.67 127.51 3hqp s ASP 83 Ca 0.29 -0.49 -0.11 0.00 -0.52 0.00 0.00 52.55 51.72 3hqp s ASP 83 Cb -0.15 -2.15 0.02 0.00 -1.46 0.00 0.00 42.92 39.18 3hqp s ASP 83 CO 0.10 -0.29 1.08 0.42 0.52 0.00 0.00 175.17 177.00 3hqp s THR 84 N 1.76 3.62 -0.03 1.71 -4.23 -0.86 -0.25 115.64 117.35 3hqp s THR 84 Ca 0.07 0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 60.88 3hqp s THR 84 Cb -0.18 -3.42 -0.16 0.00 1.34 0.00 0.00 72.50 70.09 3hqp s THR 84 CO 0.11 -0.69 0.98 0.11 -0.54 0.00 0.00 174.62 174.59 3hqp h LYS 85 N -0.73 -0.29 0.00 3.99 1.57 -1.91 -3.38 116.57 115.81 3hqp h LYS 85 Ca -0.45 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3hqp h LYS 85 Cb 1.24 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3hqp h LYS 85 CO 0.61 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 3hqp n GLY 86 N 0.27 -0.75 3.00 3.86 0.00 -1.26 -4.26 105.19 106.05 3hqp n GLY 86 Ca -0.08 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.81 1.24 -4.32 1.61 -0.02 -1.26 -4.85 135.00 125.60 3hqp n PRO 87 Ca 0.00 -1.42 -0.24 0.00 -2.02 0.00 0.00 63.50 59.81 3hqp n PRO 87 Cb 0.00 -2.59 -0.08 0.00 -0.02 0.00 0.00 33.50 30.80 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 4.84 2.11 -0.09 -0.52 -1.05 -1.26 -4.89 118.70 117.84 3hqp s GLU 88 Ca 0.46 -1.74 0.04 0.00 -0.15 0.00 0.00 54.97 53.58 3hqp s GLU 88 Cb 0.11 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.86 3hqp s GLU 88 CO 0.09 0.13 -0.22 0.42 0.95 0.00 0.00 175.26 176.63 3hqp s ILE 89 N -2.51 1.88 0.16 1.83 1.01 -1.26 -4.97 121.20 117.33 3hqp s ILE 89 Ca 0.35 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 60.15 3hqp s ILE 89 Cb -0.00 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3hqp s ILE 89 CO 0.20 0.52 -0.15 -0.13 0.00 0.00 0.00 174.94 175.38 3hqp s ARG 90 N 0.35 1.18 0.75 2.79 1.81 -1.26 -0.56 118.95 124.01 3hqp s ARG 90 Ca -0.17 -1.40 -0.09 0.00 -1.72 0.00 0.00 55.73 52.35 3hqp s ARG 90 Cb -0.17 -1.07 0.07 0.00 -0.45 0.00 0.00 34.95 33.32 3hqp s ARG 90 CO 0.08 0.20 1.10 0.95 -0.68 0.00 0.00 175.30 176.94 3hqp s THR 91 N -2.41 2.24 0.00 0.02 -4.23 0.40 -1.51 115.64 110.15 3hqp s THR 91 Ca 0.15 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3hqp s THR 91 Cb -0.04 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3hqp s THR 91 CO 0.05 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3hqp n GLY 92 N -3.11 -0.51 3.92 3.99 0.00 0.52 -3.85 105.19 106.14 3hqp n GLY 92 Ca 0.08 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.02 3.13 0.11 1.61 -0.21 0.22 -1.80 119.66 121.70 3hqp s GLN 93 Ca 0.00 0.02 0.10 0.00 0.02 0.00 0.00 55.36 55.50 3hqp s GLN 93 Cb 0.00 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 3hqp s GLN 93 CO 0.00 -0.51 -0.26 -0.06 -2.12 0.00 0.00 175.29 172.35 3hqp s PHE 94 N -2.87 2.21 0.11 0.91 0.08 -1.25 -0.88 117.98 116.28 3hqp s PHE 94 Ca 0.51 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.86 3hqp s PHE 94 Cb -0.10 -1.23 -0.10 0.00 -0.57 0.00 0.00 43.02 41.02 3hqp s PHE 94 CO 0.44 0.27 1.83 0.08 -0.10 0.00 0.00 175.22 177.74 3hqp s VAL 95 N -1.02 2.64 -0.02 -0.44 1.01 0.37 -1.53 120.40 121.42 3hqp s VAL 95 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3hqp s VAL 95 Cb -0.10 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3hqp s VAL 95 CO 0.05 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3hqp n GLY 96 N 4.25 0.40 1.72 4.51 0.00 -1.26 -4.03 105.19 110.79 3hqp n GLY 96 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.12 2.32 3.61 -0.02 0.00 -0.58 -5.00 105.19 103.41 3hqp n GLY 97 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.06 0.30 -0.08 1.61 3.84 -1.26 -2.37 116.67 116.65 3hqp s ASP 98 Ca 0.00 -1.17 -0.03 0.00 -0.00 0.00 0.00 52.55 51.34 3hqp s ASP 98 Cb 0.00 0.68 0.05 0.00 -1.38 0.00 0.00 42.92 42.27 3hqp s ASP 98 CO 0.00 -1.33 0.16 0.00 -0.00 0.00 0.00 175.17 174.00 3hqp s ALA 99 N -3.27 -0.20 -0.87 2.11 0.00 -0.12 -4.58 121.76 114.83 3hqp s ALA 99 Ca 0.23 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 3hqp s ALA 99 Cb -0.02 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.42 3hqp s ALA 99 CO 0.14 -0.51 1.17 0.08 0.00 0.00 0.00 175.76 176.64 3hqp s VAL 100 N 2.13 4.37 0.00 0.00 1.01 -1.26 -1.95 120.40 124.70 3hqp s VAL 100 Ca 0.01 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3hqp s VAL 100 Cb -0.12 -4.83 -0.03 0.00 0.00 0.00 0.00 36.38 31.40 3hqp s VAL 100 CO -0.06 -1.62 1.01 -0.04 0.00 0.00 0.00 175.10 174.39 3hqp s MET 101 N 3.77 4.54 0.03 2.72 -1.94 -0.02 -4.91 119.30 123.49 3hqp s MET 101 Ca 0.33 1.46 0.09 0.00 -1.71 0.00 0.00 55.69 55.86 3hqp s MET 101 Cb -0.07 -3.45 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 3hqp s MET 101 CO -0.03 -0.09 -0.26 -1.21 -0.01 0.00 0.00 175.02 173.42 3hqp s GLU 102 N 1.07 1.87 0.06 2.03 2.02 -1.26 -0.94 118.70 123.55 3hqp s GLU 102 Ca 0.53 -1.07 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 3hqp s GLU 102 Cb -0.22 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 3hqp s GLU 102 CO 0.28 0.52 1.94 -2.13 0.02 0.00 0.00 175.26 175.89 3hqp n ARG 103 N 1.91 2.87 -0.00 1.61 0.63 -1.26 -1.85 116.66 120.57 3hqp n ARG 103 Ca -0.17 1.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 3hqp n ARG 103 Cb 0.52 -2.99 0.00 0.00 0.45 0.00 0.00 32.46 30.43 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 4.48 0.14 3.80 5.14 0.00 0.04 -4.99 105.19 113.80 3hqp n GLY 104 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.01 2.97 -0.22 4.61 0.00 -0.77 -4.77 121.76 121.57 3hqp s ALA 105 Ca 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 3hqp s ALA 105 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 3hqp s ALA 105 CO 0.00 -0.19 0.23 -0.08 0.00 0.00 0.00 175.76 175.72 3hqp s THR 106 N -1.91 5.32 0.19 0.00 -1.32 -1.26 -0.67 115.64 115.98 3hqp s THR 106 Ca 0.63 0.34 0.07 0.00 -1.21 0.00 0.00 61.69 61.53 3hqp s THR 106 Cb -0.17 -3.57 -0.05 0.00 -1.51 0.00 0.00 72.50 67.21 3hqp s THR 106 CO 0.21 0.33 -0.14 0.00 -2.21 0.00 0.00 174.62 172.81 3hqp s TYR 108 N -2.93 2.91 -0.14 0.00 2.02 0.95 -0.23 117.35 119.92 3hqp s TYR 108 Ca 0.20 -0.89 -0.07 0.00 -0.37 0.00 0.00 57.07 55.95 3hqp s TYR 108 Cb -0.01 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 3hqp s TYR 108 CO 0.05 -0.45 0.10 0.14 -1.57 0.00 0.00 175.55 173.83 3hqp s VAL 109 N 1.09 5.17 0.09 0.71 -7.23 0.20 -1.37 120.40 119.06 3hqp s VAL 109 Ca 0.01 0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.31 3hqp s VAL 109 Cb -0.15 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 3hqp s VAL 109 CO -0.01 0.55 -0.11 0.28 -0.31 0.00 0.00 175.10 175.50 3hqp s THR 110 N -0.46 0.99 -1.98 5.32 -1.32 0.37 -0.64 115.64 117.91 3hqp s THR 110 Ca 0.11 -1.57 0.17 0.00 -1.21 0.00 0.00 61.69 59.19 3hqp s THR 110 Cb -0.12 -1.30 0.09 0.00 -1.51 0.00 0.00 72.50 69.67 3hqp s THR 110 CO 0.02 -0.49 1.00 0.41 -2.21 0.00 0.00 174.62 173.35 3hqp n THR 111 N 0.71 0.00 -2.38 5.08 -1.04 -0.55 -1.22 114.28 114.88 3hqp n THR 111 Ca -0.17 -0.44 -0.43 0.00 -2.04 0.00 0.00 64.05 60.97 3hqp n THR 111 Cb 0.57 1.31 -0.02 0.00 -1.82 0.00 0.00 70.33 70.37 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 -1.65 6.71 0.35 8.00 3.68 -1.26 -4.91 116.67 127.59 3hqp s ASP 112 Ca 0.18 1.38 0.25 0.00 2.13 0.00 0.00 52.55 56.50 3hqp s ASP 112 Cb 0.14 -2.54 1.25 0.00 -1.45 0.00 0.00 42.92 40.33 3hqp s ASP 112 CO 0.29 -1.02 1.77 1.55 0.13 0.00 0.00 175.17 177.90 3hqp h PRO 113 N 9.19 0.00 0.00 4.34 0.13 -1.95 -2.05 132.00 141.66 3hqp h PRO 113 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3hqp h PRO 113 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hqp h PRO 113 CO 1.01 0.00 0.12 0.00 -0.23 0.00 0.00 178.00 178.91 3hqp h ALA 114 N 2.09 1.12 -0.60 -0.56 0.00 -2.00 -1.50 119.26 117.80 3hqp h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hqp h ALA 114 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hqp h ALA 114 CO 0.00 -0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.32 3hqp n PHE 115 N -2.81 0.80 -0.21 0.00 3.01 -0.77 -4.66 117.46 112.82 3hqp n PHE 115 Ca -0.02 -0.47 -0.06 0.00 1.01 0.00 0.00 57.45 57.90 3hqp n PHE 115 Cb 0.18 -0.01 0.09 0.00 -0.01 0.00 0.00 39.48 39.73 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 3.70 1.01 0.00 4.37 0.00 -1.44 -3.26 119.26 123.64 3hqp h ALA 116 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 3hqp h ALA 116 Cb 0.92 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3hqp h ALA 116 CO 0.00 0.64 -1.88 -0.25 0.00 0.00 0.00 179.25 177.76 3hqp n ASP 117 N -4.23 0.69 -2.60 0.00 10.43 -1.26 0.69 116.55 120.26 3hqp n ASP 117 Ca 0.05 0.31 -0.25 0.00 2.57 0.00 0.00 54.79 57.47 3hqp n ASP 117 Cb 0.27 0.18 -0.01 0.00 1.84 0.00 0.00 41.12 43.40 3hqp n ASP 117 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3hqp n LYS 118 N -2.98 3.16 -1.57 -1.24 4.76 -1.24 -3.92 118.16 115.13 3hqp n LYS 118 Ca -0.21 -4.46 -0.32 0.00 -2.87 0.00 0.00 58.31 50.45 3hqp n LYS 118 Cb 1.08 -2.16 0.06 0.00 -1.84 0.00 0.00 35.03 32.17 3hqp n LYS 118 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hqp s GLY 119 N -3.47 1.89 0.34 0.72 0.00 -0.06 -4.60 107.32 102.15 3hqp s GLY 119 Ca 0.46 0.35 0.05 0.00 0.00 0.00 0.00 44.72 45.59 3hqp s GLY 119 CO -0.16 0.69 0.22 -0.51 0.00 0.00 0.00 173.10 173.34 3hqp s THR 120 N -2.68 0.18 0.47 0.90 -4.23 -0.19 -0.48 115.64 109.61 3hqp s THR 120 Ca 0.63 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.27 3hqp s THR 120 Cb -0.18 -2.46 0.29 0.00 1.34 0.00 0.00 72.50 71.49 3hqp s THR 120 CO 0.49 0.00 2.08 0.07 -0.54 0.00 0.00 174.62 176.72 3hqp h LYS 121 N 2.09 0.24 0.16 3.99 2.10 -1.91 -3.08 116.57 120.15 3hqp h LYS 121 Ca -0.29 -0.01 -0.31 0.00 -2.00 0.00 0.00 60.65 58.03 3hqp h LYS 121 Cb 1.25 -0.05 0.03 0.00 -0.90 0.00 0.00 32.23 32.55 3hqp h LYS 121 CO 0.44 0.16 -1.32 -0.44 -2.00 0.00 0.00 179.45 176.29 3hqp h ASP 122 N 0.25 0.88 -2.88 7.07 3.32 -1.93 -3.43 116.42 119.70 3hqp h ASP 122 Ca 0.11 -0.85 -0.12 0.00 0.02 0.00 0.00 57.03 56.20 3hqp h ASP 122 Cb 0.14 -0.28 -0.27 0.00 0.22 0.00 0.00 39.33 39.13 3hqp h ASP 122 CO -0.02 1.65 -0.35 -0.75 -1.72 0.00 0.00 179.24 178.05 3hqp s LYS 123 N -2.88 0.34 0.24 3.56 2.20 -1.16 -0.03 119.74 121.99 3hqp s LYS 123 Ca -0.09 0.89 -0.04 0.00 -0.36 0.00 0.00 55.97 56.36 3hqp s LYS 123 Cb 0.05 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3hqp s LYS 123 CO 0.94 -0.21 0.28 -0.59 -0.36 0.00 0.00 175.35 175.41 3hqp s PHE 124 N 2.01 0.93 -0.11 4.03 -0.71 -0.47 -1.02 117.98 122.64 3hqp s PHE 124 Ca -0.05 -1.18 -0.06 0.00 -1.04 0.00 0.00 56.93 54.60 3hqp s PHE 124 Cb -0.10 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 3hqp s PHE 124 CO -0.12 -0.82 0.14 -0.47 -1.34 0.00 0.00 175.22 172.61 3hqp s TYR 125 N -3.97 3.58 -0.07 3.49 5.04 -1.26 -0.48 117.35 123.68 3hqp s TYR 125 Ca 0.33 0.50 0.04 0.00 -2.44 0.00 0.00 57.07 55.49 3hqp s TYR 125 Cb 0.04 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.43 3hqp s TYR 125 CO 0.13 0.72 -0.19 0.42 -1.34 0.00 0.00 175.55 175.29 3hqp s ILE 126 N -1.06 1.64 -2.00 3.14 1.01 -0.36 -0.35 121.20 123.22 3hqp s ILE 126 Ca 0.16 -0.79 0.25 0.00 0.00 0.00 0.00 60.65 60.27 3hqp s ILE 126 Cb -0.12 -1.43 0.71 0.00 0.01 0.00 0.00 42.46 41.63 3hqp s ILE 126 CO 0.06 0.47 1.95 -0.90 0.00 0.00 0.00 174.94 176.51 3hqp n ASP 127 N 3.47 0.00 -4.50 3.58 5.68 -0.57 -4.39 116.55 119.82 3hqp n ASP 127 Ca -0.20 -1.16 -0.43 0.00 -0.50 0.00 0.00 54.79 52.50 3hqp n ASP 127 Cb 0.52 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.47 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 2.71 0.46 2.11 5.04 -1.26 -4.93 117.35 119.48 3hqp s TYR 128 Ca 0.38 -0.18 0.21 0.00 -2.44 0.00 0.00 57.07 55.04 3hqp s TYR 128 Cb 0.17 -4.20 1.29 0.00 0.35 0.00 0.00 41.96 39.58 3hqp s TYR 128 CO 0.29 -1.51 2.07 1.96 -1.34 0.00 0.00 175.55 177.02 3hqp h GLN 129 N 9.46 0.00 -0.84 4.97 1.08 -1.91 -2.19 115.11 125.68 3hqp h GLN 129 Ca -0.27 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.43 3hqp h GLN 129 Cb 1.07 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 28.23 3hqp h GLN 129 CO 1.14 0.12 0.43 0.27 -0.95 0.00 0.00 178.83 179.84 3hqp n ASN 130 N -4.04 4.79 -0.12 1.46 2.04 -1.26 -4.66 115.26 113.47 3hqp n ASN 130 Ca -0.02 -3.72 -0.08 0.00 -0.44 0.00 0.00 54.58 50.32 3hqp n ASN 130 Cb 0.21 -0.80 0.00 0.00 -2.53 0.00 0.00 39.78 36.67 3hqp n ASN 130 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3hqp h LEU 131 N 1.41 0.42 -1.48 -4.53 5.85 -1.80 -2.96 115.31 112.21 3hqp h LEU 131 Ca 0.52 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.24 3hqp h LEU 131 Cb 1.87 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.77 3hqp h LEU 131 CO 1.08 0.30 0.36 0.28 -0.34 0.00 0.00 178.44 180.11 3hqp h SER 132 N 0.50 0.60 0.21 1.25 0.02 -1.85 -0.72 113.55 113.56 3hqp h SER 132 Ca 0.15 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3hqp h SER 132 Cb -0.04 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3hqp h SER 132 CO -0.04 0.43 0.00 0.29 -1.14 0.00 0.00 176.83 176.37 3hqp n LYS 133 N -4.46 0.68 -0.00 3.45 5.02 -1.13 -3.83 118.16 117.89 3hqp n LYS 133 Ca 0.05 0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.36 3hqp n LYS 133 Cb 0.07 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 3hqp n LYS 133 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hqp n VAL 134 N -1.12 0.00 -4.66 -0.18 0.31 -0.34 -5.02 118.33 107.32 3hqp n VAL 134 Ca 0.18 -0.11 -0.30 0.00 -0.01 0.00 0.00 64.34 64.11 3hqp n VAL 134 Cb 0.15 0.56 -0.14 0.00 -0.91 0.00 0.00 33.84 33.50 3hqp n VAL 134 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3hqp s VAL 135 N -1.92 2.22 0.30 2.52 -7.23 -0.83 -4.97 120.40 110.48 3hqp s VAL 135 Ca -0.00 -1.55 0.10 0.00 -1.81 0.00 0.00 61.98 58.71 3hqp s VAL 135 Cb 0.01 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3hqp s VAL 135 CO 0.05 0.24 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.94 3hqp s ARG 136 N -1.63 2.15 0.13 4.82 0.52 -1.26 -4.84 118.95 118.84 3hqp s ARG 136 Ca 0.13 -1.58 -0.35 0.00 -0.52 0.00 0.00 55.73 53.41 3hqp s ARG 136 Cb -0.10 -2.04 -0.15 0.00 0.52 0.00 0.00 34.95 33.18 3hqp s ARG 136 CO 0.04 0.27 1.46 -2.30 0.02 0.00 0.00 175.30 174.79 3hqp n PRO 137 N -0.90 1.67 0.00 3.54 -0.02 -1.26 -1.31 135.00 136.72 3hqp n PRO 137 Ca -0.05 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3hqp n PRO 137 Cb 0.60 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.97 2.51 3.78 -1.23 0.00 0.75 -4.99 105.19 108.98 3hqp n GLY 138 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.20 5.05 -0.05 1.61 0.02 -0.43 -4.75 114.94 116.20 3hqp s ASN 139 Ca 0.00 1.92 -0.03 0.00 -1.02 0.00 0.00 52.86 53.73 3hqp s ASN 139 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 3hqp s ASN 139 CO 0.00 -1.67 0.12 -0.31 0.02 0.00 0.00 177.10 175.27 3hqp s TYR 140 N -2.52 3.46 -0.17 2.20 2.02 -1.26 -0.94 117.35 120.15 3hqp s TYR 140 Ca 0.65 0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 57.67 3hqp s TYR 140 Cb -0.19 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 3hqp s TYR 140 CO 0.45 0.64 -0.05 0.42 -1.57 0.00 0.00 175.55 175.44 3hqp s ILE 141 N -1.15 3.68 -0.22 2.71 1.01 0.61 -4.93 121.20 122.91 3hqp s ILE 141 Ca 0.21 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3hqp s ILE 141 Cb -0.12 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 3hqp s ILE 141 CO 0.11 0.48 0.18 -0.31 0.00 0.00 0.00 174.94 175.39 3hqp s TYR 142 N 0.63 3.35 -0.02 3.97 1.51 -1.12 -0.36 117.35 125.32 3hqp s TYR 142 Ca -0.03 0.30 0.06 0.00 -1.01 0.00 0.00 57.07 56.39 3hqp s TYR 142 Cb -0.15 -2.26 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 3hqp s TYR 142 CO 0.02 0.13 -0.21 0.42 -1.11 0.00 0.00 175.55 174.80 3hqp s ILE 143 N 0.87 1.64 -0.64 2.71 -1.09 0.11 -1.23 121.20 123.57 3hqp s ILE 143 Ca 0.09 -0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 57.61 3hqp s ILE 143 Cb -0.13 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.36 3hqp s ILE 143 CO 0.03 0.47 0.59 -0.67 -1.23 0.00 0.00 174.94 174.13 3hqp n ASP 144 N 2.64 -6.14 -3.88 3.58 2.03 -0.14 -1.71 116.55 112.93 3hqp n ASP 144 Ca -0.16 -0.22 -0.31 0.00 0.52 0.00 0.00 54.79 54.63 3hqp n ASP 144 Cb 0.53 -4.23 -0.01 0.00 -0.72 0.00 0.00 41.12 36.68 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 -2.00 -3.65 -0.55 1.67 8.00 -1.26 -1.31 116.55 117.45 3hqp n ASP 145 Ca -0.02 -0.75 -0.07 0.00 0.71 0.00 0.00 54.79 54.66 3hqp n ASP 145 Cb 0.53 -2.99 -0.03 0.00 -0.02 0.00 0.00 41.12 38.61 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 -1.34 0.84 0.31 0.44 0.00 -1.18 -4.78 105.19 99.47 3hqp n GLY 146 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 1.26 -3.49 -0.61 2.04 -0.98 -3.43 117.51 112.30 3hqp h ILE 147 Ca -0.15 -1.01 -0.66 0.00 1.00 0.00 0.00 64.86 64.04 3hqp h ILE 147 Cb 0.75 0.69 -0.24 0.00 -0.74 0.00 0.00 36.82 37.28 3hqp h ILE 147 CO 0.21 0.37 -0.74 -0.22 0.00 0.00 0.00 178.15 177.78 3hqp s LEU 148 N -9.37 2.87 -0.14 1.44 2.96 -0.69 -4.98 118.68 110.78 3hqp s LEU 148 Ca -0.11 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3hqp s LEU 148 Cb 0.15 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 45.20 3hqp s LEU 148 CO 0.84 0.22 -0.21 -0.63 -1.32 0.00 0.00 176.35 175.25 3hqp s ILE 149 N 0.02 1.95 -0.05 6.68 1.01 -1.26 0.09 121.20 129.63 3hqp s ILE 149 Ca -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3hqp s ILE 149 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3hqp s ILE 149 CO 0.04 0.53 0.15 -0.76 0.00 0.00 0.00 174.94 174.89 3hqp s LEU 150 N 0.87 4.28 -0.23 2.97 1.43 0.51 -1.91 118.68 126.60 3hqp s LEU 150 Ca -0.06 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 3hqp s LEU 150 Cb -0.15 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3hqp s LEU 150 CO -0.02 0.32 0.04 -1.58 0.23 0.00 0.00 176.35 175.34 3hqp s GLN 151 N -1.53 3.65 0.06 1.70 0.74 -0.33 -0.28 119.66 123.66 3hqp s GLN 151 Ca 0.22 -0.49 -0.31 0.00 0.05 0.00 0.00 55.36 54.83 3hqp s GLN 151 Cb -0.12 -3.21 -0.07 0.00 1.10 0.00 0.00 33.01 30.70 3hqp s GLN 151 CO 0.12 -0.09 1.53 0.08 -0.55 0.00 0.00 175.29 176.38 3hqp s VAL 152 N 1.31 3.26 -0.22 1.34 1.01 -0.11 -0.56 120.40 126.43 3hqp s VAL 152 Ca 0.04 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 3hqp s VAL 152 Cb -0.15 -3.47 -0.19 0.00 0.00 0.00 0.00 36.38 32.57 3hqp s VAL 152 CO 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 175.10 175.05 3hqp n GLN 153 N 5.24 0.67 -3.64 2.72 1.13 0.12 -0.18 117.38 123.44 3hqp n GLN 153 Ca 0.14 0.21 -0.02 0.00 -1.94 0.00 0.00 57.00 55.39 3hqp n GLN 153 Cb 0.42 -1.57 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 3hqp n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hqp s SER 154 N -6.78 -0.15 -0.39 1.08 1.04 -1.12 -4.72 113.70 102.65 3hqp s SER 154 Ca -0.32 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 3hqp s SER 154 Cb 0.09 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3hqp s SER 154 CO 0.63 -0.51 0.64 -1.00 0.98 0.00 0.00 173.24 173.98 3hqp s HIS 155 N -2.78 3.11 0.08 5.02 3.76 -1.26 -1.58 115.29 121.63 3hqp s HIS 155 Ca 0.11 0.17 -0.17 0.00 -0.15 0.00 0.00 55.06 55.02 3hqp s HIS 155 Cb 0.01 -3.24 -0.10 0.00 1.11 0.00 0.00 32.58 30.36 3hqp s HIS 155 CO -0.03 -0.74 1.41 0.93 -0.85 0.00 0.00 174.74 175.46 3hqp h GLU 156 N 8.66 0.54 0.00 1.40 4.39 -1.47 -3.48 114.58 124.62 3hqp h GLU 156 Ca -0.26 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3hqp h GLU 156 Cb 1.10 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3hqp h GLU 156 CO 0.86 0.83 0.00 -0.40 -1.16 0.00 0.00 179.01 179.15 3hqp n ASP 157 N -4.43 0.00 -0.02 1.42 5.68 -1.17 -4.96 116.55 113.08 3hqp n ASP 157 Ca -0.04 -0.63 0.22 0.00 -0.50 0.00 0.00 54.79 53.83 3hqp n ASP 157 Cb 0.39 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.08 3hqp n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hqp h GLU 158 N 0.00 0.00 0.00 0.11 4.81 -2.04 -3.01 114.58 114.45 3hqp h GLU 158 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hqp h GLU 158 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hqp h GLU 158 CO 0.00 0.00 -0.46 1.04 -0.73 0.00 0.00 179.01 178.86 3hqp n GLN 159 N -4.18 4.16 -5.22 1.92 6.02 -1.26 -4.82 117.38 114.00 3hqp n GLN 159 Ca 0.11 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.79 3hqp n GLN 159 Cb 0.69 -0.83 -0.16 0.00 1.02 0.00 0.00 30.24 30.95 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 -1.69 1.94 -0.10 5.09 2.01 -1.14 -1.48 115.64 120.28 3hqp s THR 160 Ca 0.01 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 60.99 3hqp s THR 160 Cb 0.04 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.94 3hqp s THR 160 CO 0.22 0.54 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.74 3hqp s LEU 161 N -0.59 1.94 -0.12 4.42 1.43 0.18 -1.11 118.68 124.84 3hqp s LEU 161 Ca 0.09 -0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.44 3hqp s LEU 161 Cb -0.09 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 3hqp s LEU 161 CO -0.01 0.11 0.90 -0.70 0.23 0.00 0.00 176.35 176.88 3hqp s GLU 162 N 0.53 4.38 0.18 1.70 2.12 -0.61 -0.63 118.70 126.37 3hqp s GLU 162 Ca -0.15 1.19 0.05 0.00 0.36 0.00 0.00 54.97 56.42 3hqp s GLU 162 Cb -0.17 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 3hqp s GLU 162 CO 0.06 -0.26 -0.09 0.00 -0.54 0.00 0.00 175.26 174.43 3hqp s THR 164 N -3.28 3.90 -0.27 0.00 2.01 0.28 -0.82 115.64 117.45 3hqp s THR 164 Ca 0.20 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 3hqp s THR 164 Cb 0.03 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3hqp s THR 164 CO 0.04 0.22 0.59 -0.69 -0.69 0.00 0.00 174.62 174.09 3hqp s VAL 165 N -1.20 5.00 -0.15 3.82 1.01 0.15 -1.18 120.40 127.86 3hqp s VAL 165 Ca 0.22 0.95 0.17 0.00 0.00 0.00 0.00 61.98 63.32 3hqp s VAL 165 Cb -0.11 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3hqp s VAL 165 CO 0.14 -0.01 1.04 0.71 0.00 0.00 0.00 175.10 176.99 3hqp h THR 166 N 5.45 0.55 -3.85 3.92 1.35 -1.71 0.16 112.91 118.78 3hqp h THR 166 Ca -0.27 -1.95 -0.11 0.00 -0.55 0.00 0.00 66.41 63.52 3hqp h THR 166 Cb 1.13 2.10 -0.16 0.00 -1.73 0.00 0.00 68.15 69.48 3hqp h THR 166 CO 0.76 0.31 -0.50 0.54 -0.25 0.00 0.00 175.52 176.39 3hqp s ASN 167 N -5.95 0.20 0.12 5.36 2.20 -1.26 -4.79 114.94 110.83 3hqp s ASN 167 Ca -0.00 -0.62 -0.28 0.00 -0.94 0.00 0.00 52.86 51.02 3hqp s ASN 167 Cb 0.08 0.25 -0.07 0.00 -2.00 0.00 0.00 41.25 39.52 3hqp s ASN 167 CO 0.79 -0.58 0.86 -0.44 -2.94 0.00 0.00 177.10 174.79 3hqp s SER 168 N -2.42 7.42 -0.28 3.54 0.01 -1.26 -4.28 113.70 116.42 3hqp s SER 168 Ca -0.01 1.69 -0.25 0.00 1.31 0.00 0.00 55.95 58.69 3hqp s SER 168 Cb 0.02 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.82 3hqp s SER 168 CO -0.07 0.05 0.97 -2.28 0.41 0.00 0.00 173.24 172.32 3hqp s HIS 169 N -0.44 -0.54 -0.21 2.43 5.04 -0.12 -4.97 115.29 116.48 3hqp s HIS 169 Ca 0.41 1.31 -0.15 0.00 -1.54 0.00 0.00 55.06 55.09 3hqp s HIS 169 Cb -0.23 0.35 -0.04 0.00 0.04 0.00 0.00 32.58 32.70 3hqp s HIS 169 CO 0.27 -0.26 0.35 0.99 -2.34 0.00 0.00 174.74 173.75 3hqp s THR 170 N 0.29 5.23 -0.08 0.89 2.01 -1.26 -0.84 115.64 121.88 3hqp s THR 170 Ca 0.02 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.64 3hqp s THR 170 Cb -0.05 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 3hqp s THR 170 CO -0.05 0.26 -0.16 0.27 -0.69 0.00 0.00 174.62 174.26 3hqp s ILE 171 N 1.31 2.89 0.65 1.82 -4.36 -0.82 -4.94 121.20 117.75 3hqp s ILE 171 Ca 0.16 -0.76 -0.01 0.00 -0.26 0.00 0.00 60.65 59.78 3hqp s ILE 171 Cb -0.15 -2.15 0.08 0.00 1.25 0.00 0.00 42.46 41.49 3hqp s ILE 171 CO 0.07 0.57 0.91 -0.44 0.24 0.00 0.00 174.94 176.28 3hqp s SER 172 N -0.29 4.80 0.20 4.36 0.01 -1.26 -0.95 113.70 120.58 3hqp s SER 172 Ca 0.02 -0.08 -0.31 0.00 1.31 0.00 0.00 55.95 56.89 3hqp s SER 172 Cb -0.13 -0.56 -0.16 0.00 0.21 0.00 0.00 66.02 65.38 3hqp s SER 172 CO 0.03 -1.52 1.00 0.47 0.41 0.00 0.00 173.24 173.62 3hqp n ASP 173 N -2.65 0.77 -3.42 2.44 9.92 -1.00 -3.58 116.55 119.03 3hqp n ASP 173 Ca 0.11 1.15 -0.18 0.00 -0.53 0.00 0.00 54.79 55.34 3hqp n ASP 173 Cb 0.60 -1.17 0.07 0.00 -0.64 0.00 0.00 41.12 39.98 3hqp n ASP 173 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hqp n ARG 174 N 1.32 -4.15 -2.18 -1.24 1.74 -0.74 -4.97 116.66 106.43 3hqp n ARG 174 Ca 0.14 0.79 -0.38 0.00 -0.77 0.00 0.00 57.85 57.64 3hqp n ARG 174 Cb 0.26 -5.60 -0.00 0.00 -1.02 0.00 0.00 32.46 26.09 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 -5.12 3.76 0.37 5.56 3.00 -1.24 -4.67 118.95 120.61 3hqp s ARG 175 Ca 0.22 1.89 -0.26 0.00 0.00 0.00 0.00 55.73 57.58 3hqp s ARG 175 Cb -0.04 -2.48 -0.09 0.00 0.00 0.00 0.00 34.95 32.34 3hqp s ARG 175 CO 0.76 -0.58 1.17 0.20 0.00 0.00 0.00 175.30 176.84 3hqp s GLY 176 N -1.19 2.92 0.07 -3.53 0.00 -1.26 -0.45 107.32 103.88 3hqp s GLY 176 Ca 0.62 0.98 0.10 0.00 0.00 0.00 0.00 44.72 46.42 3hqp s GLY 176 CO 0.39 1.53 -0.26 -1.34 0.00 0.00 0.00 173.10 173.42 3hqp s VAL 177 N -1.34 2.25 -0.03 1.40 -7.23 0.27 -0.97 120.40 114.75 3hqp s VAL 177 Ca 0.53 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 3hqp s VAL 177 Cb -0.32 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3hqp s VAL 177 CO 0.40 0.27 -0.05 0.20 -0.31 0.00 0.00 175.10 175.61 3hqp s ASN 178 N -1.54 0.87 -0.63 4.85 0.01 -0.37 -4.41 114.94 113.72 3hqp s ASN 178 Ca 0.13 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.20 3hqp s ASN 178 Cb -0.10 -0.34 0.16 0.00 0.41 0.00 0.00 41.25 41.38 3hqp s ASN 178 CO 0.04 -0.01 0.42 -0.76 -1.51 0.00 0.00 177.10 175.27 3hqp s LEU 179 N 0.59 4.43 0.22 0.60 2.01 -1.26 -2.77 118.68 122.50 3hqp s LEU 179 Ca -0.08 -3.56 -0.31 0.00 0.01 0.00 0.00 54.13 50.20 3hqp s LEU 179 Cb -0.11 -1.55 -0.10 0.00 0.01 0.00 0.00 46.19 44.44 3hqp s LEU 179 CO 0.00 -0.13 1.51 -2.84 1.01 0.00 0.00 176.35 175.90 3hqp s PRO 180 N -1.02 4.22 0.00 1.29 0.02 -1.26 -2.65 135.00 135.61 3hqp s PRO 180 Ca 0.23 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3hqp s PRO 180 Cb -0.10 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3hqp s PRO 180 CO -0.12 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3hqp n GLY 181 N 2.77 3.11 3.75 0.52 0.00 -1.26 -5.03 105.19 109.05 3hqp n GLY 181 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.12 6.21 -0.97 0.00 -1.08 -1.26 -4.93 116.67 113.51 3hqp s ASP 183 Ca 0.40 -0.68 -0.03 0.00 -0.52 0.00 0.00 52.55 51.73 3hqp s ASP 183 Cb -0.25 -2.47 0.28 0.00 -1.46 0.00 0.00 42.92 39.01 3hqp s ASP 183 CO 0.31 -1.52 1.15 1.33 0.52 0.00 0.00 175.17 176.96 3hqp n VAL 184 N 6.13 4.21 -1.88 1.11 0.24 -1.26 -4.99 118.33 121.89 3hqp n VAL 184 Ca -0.00 -5.55 -0.22 0.00 -2.04 0.00 0.00 64.34 56.52 3hqp n VAL 184 Cb 0.47 -2.23 -0.07 0.00 -1.47 0.00 0.00 33.84 30.54 3hqp n VAL 184 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3hqp s ASP 185 N -1.03 4.55 0.05 -1.34 -4.77 -1.26 -4.91 116.67 107.96 3hqp s ASP 185 Ca 0.32 -0.85 -0.07 0.00 -3.30 0.00 0.00 52.55 48.65 3hqp s ASP 185 Cb 0.02 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.22 3hqp s ASP 185 CO 0.00 -3.42 0.33 -0.76 0.70 0.00 0.00 175.17 172.02 3hqp s LEU 186 N 12.53 4.35 0.44 2.11 1.43 -1.26 -5.05 118.68 133.22 3hqp s LEU 186 Ca 0.76 0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 54.24 3hqp s LEU 186 Cb -0.06 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 3hqp s LEU 186 CO 0.08 0.19 1.28 -0.81 0.23 0.00 0.00 176.35 177.32 3hqp n PRO 187 N 0.85 1.90 -0.29 1.29 -0.04 -1.26 -4.87 135.00 132.59 3hqp n PRO 187 Ca -0.09 0.68 0.03 0.00 -0.04 0.00 0.00 63.50 64.09 3hqp n PRO 187 Cb 0.52 -2.40 0.24 0.00 -0.04 0.00 0.00 33.50 31.82 3hqp n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hqp h ALA 188 N 2.01 1.51 -3.21 0.55 0.00 -1.98 -3.37 119.26 114.77 3hqp h ALA 188 Ca -0.48 -0.03 -0.49 0.00 0.00 0.00 0.00 54.91 53.91 3hqp h ALA 188 Cb 1.30 -0.28 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 3hqp h ALA 188 CO 0.59 0.38 -0.76 0.54 0.00 0.00 0.00 179.25 180.00 3hqp s VAL 189 N -5.89 0.33 0.76 0.00 0.11 -1.26 -4.64 120.40 109.80 3hqp s VAL 189 Ca -0.11 -0.38 -0.09 0.00 -2.93 0.00 0.00 61.98 58.46 3hqp s VAL 189 Cb 0.19 -0.85 0.08 0.00 -1.53 0.00 0.00 36.38 34.27 3hqp s VAL 189 CO 0.80 -0.19 1.09 -0.94 -3.33 0.00 0.00 175.10 172.52 3hqp s SER 190 N 1.95 4.59 0.24 3.54 1.04 -1.26 -4.87 113.70 118.93 3hqp s SER 190 Ca 0.00 0.53 -0.06 0.00 0.48 0.00 0.00 55.95 56.90 3hqp s SER 190 Cb -0.16 -1.08 0.24 0.00 0.10 0.00 0.00 66.02 65.12 3hqp s SER 190 CO -0.08 -1.78 1.82 0.00 0.98 0.00 0.00 173.24 174.18 3hqp h ALA 191 N -0.82 1.13 -0.46 5.32 0.00 -1.99 0.04 119.26 122.48 3hqp h ALA 191 Ca -0.45 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.32 3hqp h ALA 191 Cb 1.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hqp h ALA 191 CO 0.60 0.64 0.25 0.87 0.00 0.00 0.00 179.25 181.61 3hqp h LYS 192 N 1.12 0.49 -0.23 0.00 1.57 -1.99 -2.27 116.57 115.26 3hqp h LYS 192 Ca 0.26 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3hqp h LYS 192 Cb 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3hqp h LYS 192 CO -0.03 0.33 0.05 -0.44 -0.57 0.00 0.00 179.45 178.79 3hqp h ASP 193 N 0.51 0.03 -0.72 0.86 3.32 -1.66 0.27 116.42 119.03 3hqp h ASP 193 Ca 0.19 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.32 3hqp h ASP 193 Cb 0.06 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3hqp h ASP 193 CO -0.11 0.05 0.47 0.03 -1.72 0.00 0.00 179.24 177.96 3hqp h ARG 194 N 0.14 0.79 -0.13 3.56 3.08 -0.93 -0.49 114.38 120.40 3hqp h ARG 194 Ca 0.10 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3hqp h ARG 194 Cb 0.09 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3hqp h ARG 194 CO -0.13 0.52 -0.05 0.28 -1.07 0.00 0.00 179.97 179.52 3hqp h VAL 195 N 0.81 1.31 -0.54 2.04 2.07 -0.72 -2.55 116.25 118.66 3hqp h VAL 195 Ca 0.30 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3hqp h VAL 195 Cb 0.16 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3hqp h VAL 195 CO -0.09 0.31 0.26 0.44 0.02 0.00 0.00 177.57 178.50 3hqp h ASP 196 N -0.06 0.72 -0.66 0.57 3.32 -0.57 -2.47 116.42 117.27 3hqp h ASP 196 Ca 0.03 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3hqp h ASP 196 Cb 0.50 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3hqp h ASP 196 CO 0.02 0.65 0.24 -0.07 -1.72 0.00 0.00 179.24 178.35 3hqp h LEU 197 N 0.73 0.93 -0.74 1.55 3.38 -1.14 -1.43 115.31 118.59 3hqp h LEU 197 Ca 0.19 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3hqp h LEU 197 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3hqp h LEU 197 CO -0.02 0.87 0.19 -0.61 0.09 0.00 0.00 178.44 178.95 3hqp h GLN 198 N 0.94 1.14 -0.10 1.13 5.75 -1.37 0.01 115.11 122.60 3hqp h GLN 198 Ca 0.22 -0.27 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3hqp h GLN 198 Cb 0.25 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3hqp h GLN 198 CO -0.01 0.99 -0.08 0.35 -2.65 0.00 0.00 178.83 177.43 3hqp h PHE 199 N 1.08 -0.20 -0.99 3.99 3.57 -1.29 0.24 116.94 123.34 3hqp h PHE 199 Ca 0.23 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.88 3hqp h PHE 199 Cb 0.36 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.12 3hqp h PHE 199 CO 0.03 -0.13 0.62 0.78 -2.23 0.00 0.00 178.31 177.38 3hqp h GLY 200 N -0.10 1.62 0.57 2.40 0.00 -0.51 0.34 103.07 107.38 3hqp h GLY 200 Ca 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hqp h GLY 200 CO -0.16 0.11 -0.13 -2.08 0.00 0.00 0.00 176.54 174.27 3hqp h VAL 201 N 0.91 0.70 -1.02 4.60 2.07 -0.66 -1.21 116.25 121.65 3hqp h VAL 201 Ca 0.51 -0.75 0.25 0.00 0.82 0.00 0.00 66.70 67.53 3hqp h VAL 201 Cb 0.60 1.07 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 3hqp h VAL 201 CO -0.28 0.14 0.64 -0.33 0.02 0.00 0.00 177.57 177.76 3hqp h GLU 202 N -0.81 0.47 -0.01 1.57 5.08 -0.53 -1.21 114.58 119.14 3hqp h GLU 202 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hqp h GLU 202 Cb 0.51 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hqp h GLU 202 CO 0.06 0.31 -0.18 1.04 -1.00 0.00 0.00 179.01 179.24 3hqp n GLN 203 N -4.69 1.16 -2.47 2.33 1.13 0.07 -4.97 117.38 109.95 3hqp n GLN 203 Ca 0.25 -0.71 -0.10 0.00 -1.94 0.00 0.00 57.00 54.50 3hqp n GLN 203 Cb 0.80 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.67 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 1.29 0.08 3.74 1.08 0.00 -0.46 -5.02 105.19 105.90 3hqp n GLY 204 Ca 0.14 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.71 2.62 -0.10 1.61 -7.23 -0.51 -4.95 120.40 109.13 3hqp s VAL 205 Ca 0.09 0.29 0.15 0.00 -1.81 0.00 0.00 61.98 60.71 3hqp s VAL 205 Cb -0.04 -2.83 -0.21 0.00 0.56 0.00 0.00 36.38 33.86 3hqp s VAL 205 CO 0.12 -0.17 0.57 0.47 -0.31 0.00 0.00 175.10 175.78 3hqp n ASP 206 N -2.67 0.65 -3.67 4.85 8.00 -0.61 -4.85 116.55 118.25 3hqp n ASP 206 Ca 0.12 0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 3hqp n ASP 206 Cb 0.51 0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.70 0.91 -0.11 -1.24 0.23 -1.17 -2.32 119.30 112.90 3hqp s MET 207 Ca -0.05 -0.35 0.00 0.00 -1.03 0.00 0.00 55.69 54.26 3hqp s MET 207 Cb 0.08 0.41 -0.02 0.00 -1.53 0.00 0.00 34.83 33.77 3hqp s MET 207 CO 0.83 -0.31 -0.12 0.42 -2.03 0.00 0.00 175.02 173.81 3hqp s ILE 208 N -2.40 3.21 -1.01 3.16 -1.09 0.12 -1.85 121.20 121.34 3hqp s ILE 208 Ca -0.06 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.63 3hqp s ILE 208 Cb -0.01 -2.33 0.26 0.00 -1.58 0.00 0.00 42.46 38.79 3hqp s ILE 208 CO -0.02 0.54 0.99 -0.36 -1.23 0.00 0.00 174.94 174.86 3hqp s PHE 209 N 0.00 4.10 -0.13 3.97 0.08 0.60 -0.47 117.98 126.13 3hqp s PHE 209 Ca -0.03 -2.47 -0.29 0.00 0.12 0.00 0.00 56.93 54.26 3hqp s PHE 209 Cb -0.14 -3.82 -0.05 0.00 -0.57 0.00 0.00 43.02 38.44 3hqp s PHE 209 CO 0.04 -0.96 1.79 0.00 -0.10 0.00 0.00 175.22 175.99 3hqp s ALA 210 N -0.79 3.33 0.44 5.36 0.00 -0.42 -2.04 121.76 127.64 3hqp s ALA 210 Ca 0.26 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 3hqp s ALA 210 Cb -0.10 -3.86 -0.11 0.00 0.00 0.00 0.00 23.12 19.05 3hqp s ALA 210 CO -0.08 -1.87 0.96 -1.12 0.00 0.00 0.00 175.76 173.64 3hqp s SER 211 N 4.71 6.87 -1.22 0.00 0.01 -1.26 -1.36 113.70 121.44 3hqp s SER 211 Ca 0.80 1.72 -0.21 0.00 1.31 0.00 0.00 55.95 59.56 3hqp s SER 211 Cb -0.32 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.38 3hqp s SER 211 CO 0.33 -0.41 0.67 0.49 0.41 0.00 0.00 173.24 174.73 3hqp n PHE 212 N -0.69 -1.68 -2.60 2.43 3.72 -1.24 -4.41 117.46 112.99 3hqp n PHE 212 Ca 0.07 0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 57.43 3hqp n PHE 212 Cb 0.54 -3.25 -0.03 0.00 -0.94 0.00 0.00 39.48 35.80 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 -3.60 4.59 -0.03 4.37 -1.09 -0.97 -4.70 121.20 119.77 3hqp s ILE 213 Ca 0.39 1.87 0.07 0.00 -2.23 0.00 0.00 60.65 60.76 3hqp s ILE 213 Cb -0.17 -4.20 -0.11 0.00 -1.58 0.00 0.00 42.46 36.39 3hqp s ILE 213 CO 0.91 0.01 0.13 -2.11 -1.23 0.00 0.00 174.94 172.65 3hqp n ARG 214 N 4.99 0.91 -3.60 2.79 1.85 -1.26 -4.11 116.66 118.23 3hqp n ARG 214 Ca 0.09 -0.05 -0.12 0.00 -1.00 0.00 0.00 57.85 56.77 3hqp n ARG 214 Cb 0.48 -1.18 -0.05 0.00 -1.05 0.00 0.00 32.46 30.66 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 -3.15 -0.34 0.29 2.89 1.04 -1.26 -3.95 113.70 109.21 3hqp s SER 215 Ca -0.03 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.33 3hqp s SER 215 Cb 0.04 0.48 0.43 0.00 0.10 0.00 0.00 66.02 67.07 3hqp s SER 215 CO 0.31 -0.79 1.75 0.00 0.98 0.00 0.00 173.24 175.49 3hqp h ALA 216 N 2.56 1.14 -0.78 5.32 0.00 -1.88 -2.63 119.26 123.00 3hqp h ALA 216 Ca -0.33 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.31 3hqp h ALA 216 Cb 1.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3hqp h ALA 216 CO 0.44 0.54 0.51 1.49 0.00 0.00 0.00 179.25 182.23 3hqp h GLU 217 N 0.50 0.95 -0.08 0.00 4.81 -1.96 -1.80 114.58 117.00 3hqp h GLU 217 Ca 0.08 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3hqp h GLU 217 Cb 0.57 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3hqp h GLU 217 CO 0.04 0.63 -0.43 0.37 -0.73 0.00 0.00 179.01 178.89 3hqp h GLN 218 N 0.97 0.17 -0.45 1.92 4.15 -1.88 -2.26 115.11 117.73 3hqp h GLN 218 Ca 0.31 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.55 3hqp h GLN 218 Cb 0.01 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3hqp h GLN 218 CO -0.08 0.57 -0.07 0.28 -1.93 0.00 0.00 178.83 177.59 3hqp h VAL 219 N 0.14 1.27 -0.06 2.39 2.07 -1.08 -2.37 116.25 118.62 3hqp h VAL 219 Ca 0.01 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 3hqp h VAL 219 Cb 0.82 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3hqp h VAL 219 CO 0.06 0.40 -0.27 1.23 0.02 0.00 0.00 177.57 179.01 3hqp h GLY 220 N 0.69 0.11 1.09 2.17 0.00 -1.21 -1.97 103.07 103.96 3hqp h GLY 220 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 3hqp h GLY 220 CO 0.04 0.07 -0.15 -0.55 0.00 0.00 0.00 176.54 175.95 3hqp h ASP 221 N 0.09 1.02 -0.32 0.19 3.32 -1.24 -1.40 116.42 118.08 3hqp h ASP 221 Ca 0.01 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 3hqp h ASP 221 Cb 0.54 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3hqp h ASP 221 CO 0.04 1.16 0.08 0.58 -1.72 0.00 0.00 179.24 179.37 3hqp h VAL 222 N 0.87 1.22 -0.92 -1.35 2.07 -1.02 -0.70 116.25 116.41 3hqp h VAL 222 Ca 0.13 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3hqp h VAL 222 Cb 0.73 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3hqp h VAL 222 CO 0.06 0.24 0.57 -0.09 0.02 0.00 0.00 177.57 178.37 3hqp h ARG 223 N 0.36 1.23 -0.59 1.57 2.43 -1.34 -1.65 114.38 116.39 3hqp h ARG 223 Ca 0.10 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3hqp h ARG 223 Cb 0.29 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3hqp h ARG 223 CO 0.00 0.85 -0.01 -0.22 -1.51 0.00 0.00 179.97 179.09 3hqp h LYS 224 N 1.26 1.04 -0.37 0.20 3.64 -1.07 -2.67 116.57 118.60 3hqp h LYS 224 Ca 0.33 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3hqp h LYS 224 Cb -0.08 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3hqp h LYS 224 CO -0.06 1.02 0.08 0.00 -2.27 0.00 0.00 179.45 178.22 3hqp h ALA 225 N 1.03 1.46 0.00 5.00 0.00 -0.68 -2.61 119.26 123.45 3hqp h ALA 225 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3hqp h ALA 225 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hqp h ALA 225 CO 0.03 0.40 -0.41 -0.07 0.00 0.00 0.00 179.25 179.19 3hqp h LEU 226 N 0.53 0.00 0.00 0.00 3.38 -1.00 -3.44 115.31 114.78 3hqp h LEU 226 Ca 0.12 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.25 3hqp h LEU 226 Cb 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3hqp h LEU 226 CO -0.00 0.41 -0.21 0.61 0.09 0.00 0.00 178.44 179.34 3hqp n GLY 227 N -0.16 -2.08 0.36 0.83 0.00 -0.99 -2.92 105.19 100.23 3hqp n GLY 227 Ca -0.01 -1.37 0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 0.68 0.00 1.61 0.11 -1.90 -1.26 132.00 131.24 3hqp h PRO 228 Ca 0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3hqp h PRO 228 Cb 0.53 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3hqp h PRO 228 CO 0.00 0.45 -0.07 0.87 -0.21 0.00 0.00 178.00 179.04 3hqp h LYS 229 N 0.70 0.00 -0.43 1.05 1.79 -2.01 -3.24 116.57 114.44 3hqp h LYS 229 Ca 0.38 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.58 3hqp h LYS 229 Cb 0.52 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.99 3hqp h LYS 229 CO -0.15 0.07 -0.27 0.41 -1.08 0.00 0.00 179.45 178.43 3hqp n GLY 230 N 0.07 5.40 0.16 3.86 0.00 -0.49 -4.73 105.19 109.46 3hqp n GLY 230 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 1.36 0.00 -0.03 1.61 0.11 -1.56 -3.17 114.38 112.70 3hqp h ARG 231 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 3hqp h ARG 231 Cb 1.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.51 3hqp h ARG 231 CO 0.49 0.48 0.00 -0.25 0.10 0.00 0.00 179.97 180.79 3hqp n ASP 232 N -3.53 1.58 -4.70 0.08 8.00 -1.26 -4.87 116.55 111.86 3hqp n ASP 232 Ca -0.00 -1.54 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 3hqp n ASP 232 Cb 0.59 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.98 4.89 0.32 0.53 1.01 -1.20 -4.98 121.20 119.79 3hqp s ILE 233 Ca 0.37 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.59 3hqp s ILE 233 Cb 0.21 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 3hqp s ILE 233 CO 0.33 0.12 1.20 -0.04 0.00 0.00 0.00 174.94 176.55 3hqp s MET 234 N 1.36 4.44 -0.35 2.79 -1.94 -0.98 -4.87 119.30 119.76 3hqp s MET 234 Ca 0.46 1.98 -0.07 0.00 -1.71 0.00 0.00 55.69 56.36 3hqp s MET 234 Cb -0.19 -3.07 0.04 0.00 2.01 0.00 0.00 34.83 33.62 3hqp s MET 234 CO 0.21 -0.03 0.12 0.42 -0.01 0.00 0.00 175.02 175.73 3hqp s ILE 235 N -1.19 3.83 -0.27 2.53 1.01 -1.26 0.10 121.20 125.96 3hqp s ILE 235 Ca 0.48 -1.15 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 3hqp s ILE 235 Cb -0.35 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3hqp s ILE 235 CO 0.46 -0.21 0.15 -0.63 0.00 0.00 0.00 174.94 174.72 3hqp s ILE 236 N 1.41 5.05 -0.18 2.92 -1.09 0.38 -0.85 121.20 128.84 3hqp s ILE 236 Ca -0.01 0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.35 3hqp s ILE 236 Cb -0.20 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3hqp s ILE 236 CO 0.03 0.28 0.32 0.00 -1.23 0.00 0.00 174.94 174.34 3hqp s LYS 238 N 0.80 3.30 -0.41 0.00 1.02 -0.46 -0.52 119.74 123.47 3hqp s LYS 238 Ca 0.17 -0.36 -0.23 0.00 0.02 0.00 0.00 55.97 55.57 3hqp s LYS 238 Cb -0.14 -3.94 0.02 0.00 -0.52 0.00 0.00 37.83 33.25 3hqp s LYS 238 CO 0.05 -0.99 0.78 0.42 -0.92 0.00 0.00 175.35 174.69 3hqp s ILE 239 N 2.80 4.69 0.00 2.17 -1.09 -0.56 -2.30 121.20 126.91 3hqp s ILE 239 Ca 0.22 0.65 0.03 0.00 -2.23 0.00 0.00 60.65 59.32 3hqp s ILE 239 Cb -0.14 -4.26 0.05 0.00 -1.58 0.00 0.00 42.46 36.53 3hqp s ILE 239 CO 0.19 -0.58 0.86 -1.84 -1.23 0.00 0.00 174.94 172.34 3hqp n GLU 240 N 6.57 0.00 -4.03 2.79 0.28 -1.26 -2.14 120.64 122.84 3hqp n GLU 240 Ca 0.03 -0.79 -0.10 0.00 -0.16 0.00 0.00 57.16 56.13 3hqp n GLU 240 Cb 0.48 -0.19 -0.05 0.00 1.43 0.00 0.00 31.44 33.11 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 -0.79 0.14 0.16 -1.84 2.20 -1.26 -3.54 114.94 110.01 3hqp s ASN 241 Ca 0.04 -1.10 -0.22 0.00 -0.94 0.00 0.00 52.86 50.65 3hqp s ASN 241 Cb 0.05 0.59 0.06 0.00 -2.00 0.00 0.00 41.25 39.95 3hqp s ASN 241 CO -0.02 -1.17 1.62 -0.74 -2.94 0.00 0.00 177.10 173.85 3hqp h HIS 242 N 2.25 -0.66 0.00 1.54 -0.00 -1.93 -2.39 115.15 113.95 3hqp h HIS 242 Ca -0.28 0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 60.04 3hqp h HIS 242 Cb 1.25 0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.99 3hqp h HIS 242 CO 0.66 -0.33 -0.46 -0.56 -0.00 0.00 0.00 177.93 177.24 3hqp h GLN 243 N -0.22 0.00 -0.70 5.26 3.07 -1.94 -0.80 115.11 119.79 3hqp h GLN 243 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.90 3hqp h GLN 243 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 3hqp h GLN 243 CO -0.45 0.46 0.42 0.78 0.09 0.00 0.00 178.83 180.13 3hqp h GLY 244 N 2.11 1.02 0.87 0.06 0.00 -1.61 0.17 103.07 105.68 3hqp h GLY 244 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3hqp h GLY 244 CO 0.06 0.41 -0.10 -2.08 0.00 0.00 0.00 176.54 174.83 3hqp h VAL 245 N 0.95 0.84 -0.96 4.60 2.07 -0.97 -2.73 116.25 120.06 3hqp h VAL 245 Ca 0.25 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3hqp h VAL 245 Cb -0.03 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3hqp h VAL 245 CO -0.05 0.06 0.62 -0.61 0.02 0.00 0.00 177.57 177.62 3hqp h GLN 246 N -0.43 1.07 -0.70 1.57 4.15 -1.03 -2.52 115.11 117.22 3hqp h GLN 246 Ca -0.03 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 3hqp h GLN 246 Cb 0.33 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 3hqp h GLN 246 CO 0.05 0.71 0.00 0.09 -1.93 0.00 0.00 178.83 177.75 3hqp n ASN 247 N -4.49 4.45 -0.35 -0.69 3.02 0.04 -4.71 115.26 112.53 3hqp n ASN 247 Ca 0.15 -2.68 0.03 0.00 -0.03 0.00 0.00 54.58 52.05 3hqp n ASN 247 Cb 0.19 -0.64 0.18 0.00 -0.61 0.00 0.00 39.78 38.90 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 2.89 1.03 0.27 2.41 6.09 -1.12 -2.01 117.51 127.07 3hqp h ILE 248 Ca 0.00 -0.37 -0.01 0.00 -1.37 0.00 0.00 64.86 63.11 3hqp h ILE 248 Cb 1.59 -0.13 0.00 0.00 0.47 0.00 0.00 36.82 38.75 3hqp h ILE 248 CO 0.36 0.20 -0.13 0.44 -3.07 0.00 0.00 178.15 175.95 3hqp h ASP 249 N 1.07 -0.31 0.48 2.19 3.32 -1.86 0.21 116.42 121.51 3hqp h ASP 249 Ca 0.43 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.41 3hqp h ASP 249 Cb 0.25 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3hqp h ASP 249 CO -0.20 -0.20 -0.29 0.77 -1.72 0.00 0.00 179.24 177.60 3hqp h SER 250 N -0.39 0.00 -0.14 6.45 4.64 -1.92 -1.34 113.55 120.85 3hqp h SER 250 Ca -0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3hqp h SER 250 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hqp h SER 250 CO 0.06 0.29 -0.19 0.40 -0.87 0.00 0.00 176.83 176.53 3hqp h ILE 251 N 0.00 1.36 -0.84 0.95 2.04 -0.98 -2.80 117.51 117.23 3hqp h ILE 251 Ca -0.00 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.52 3hqp h ILE 251 Cb 0.61 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.57 3hqp h ILE 251 CO 0.04 0.41 0.53 0.40 0.00 0.00 0.00 178.15 179.53 3hqp h ILE 252 N -0.00 1.07 -0.44 -0.67 2.04 -0.22 0.35 117.51 119.64 3hqp h ILE 252 Ca 0.02 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3hqp h ILE 252 Cb 0.74 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3hqp h ILE 252 CO 0.04 0.18 0.13 -0.08 0.00 0.00 0.00 178.15 178.42 3hqp h GLU 253 N 0.99 0.65 0.03 2.37 4.57 -1.26 -3.05 114.58 118.88 3hqp h GLU 253 Ca 0.36 -0.11 -0.28 0.00 -1.18 0.00 0.00 59.36 58.15 3hqp h GLU 253 Cb 0.11 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3hqp h GLU 253 CO -0.15 0.58 -1.56 0.93 -1.18 0.00 0.00 179.01 177.63 3hqp h GLU 254 N 0.64 0.06 -7.45 1.92 4.39 -1.17 -3.48 114.58 109.49 3hqp h GLU 254 Ca 0.15 -0.10 -0.44 0.00 0.34 0.00 0.00 59.36 59.31 3hqp h GLU 254 Cb 0.21 0.04 0.16 0.00 -0.10 0.00 0.00 28.75 29.06 3hqp h GLU 254 CO -0.01 0.75 0.22 -1.54 -1.16 0.00 0.00 179.01 177.27 3hqp s SER 255 N -6.43 2.30 0.00 1.42 1.04 0.07 -4.99 113.70 107.11 3hqp s SER 255 Ca -0.06 0.86 0.19 0.00 0.48 0.00 0.00 55.95 57.42 3hqp s SER 255 Cb 0.08 -1.31 0.35 0.00 0.10 0.00 0.00 66.02 65.25 3hqp s SER 255 CO 0.82 -3.30 1.29 0.47 0.98 0.00 0.00 173.24 173.51 3hqp n ASP 256 N -4.24 3.15 0.00 7.02 10.43 -0.03 -4.96 116.55 127.93 3hqp n ASP 256 Ca 0.09 -1.91 0.00 0.00 2.57 0.00 0.00 54.79 55.54 3hqp n ASP 256 Cb 0.59 -0.21 0.00 0.00 1.84 0.00 0.00 41.12 43.34 3hqp n ASP 256 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hqp n GLY 257 N 1.20 1.74 3.23 0.44 0.00 -1.23 -4.21 105.19 106.37 3hqp n GLY 257 Ca 0.16 -1.14 -0.24 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 1.55 -0.15 -0.61 -1.09 -0.51 -0.92 121.20 117.48 3hqp s ILE 258 Ca 0.00 -1.15 -0.01 0.00 -2.23 0.00 0.00 60.65 57.26 3hqp s ILE 258 Cb 0.00 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.51 3hqp s ILE 258 CO 0.00 0.17 -0.11 -0.32 -1.23 0.00 0.00 174.94 173.45 3hqp s MET 259 N -1.15 3.41 -0.97 2.79 -2.45 0.32 -0.61 119.30 120.64 3hqp s MET 259 Ca 0.06 -0.66 -0.22 0.00 -1.25 0.00 0.00 55.69 53.63 3hqp s MET 259 Cb -0.09 -2.72 0.08 0.00 1.25 0.00 0.00 34.83 33.36 3hqp s MET 259 CO 0.02 0.15 1.32 0.08 1.05 0.00 0.00 175.02 177.63 3hqp s VAL 260 N 0.54 4.22 -1.25 10.11 1.01 0.47 -1.50 120.40 134.00 3hqp s VAL 260 Ca -0.07 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 3hqp s VAL 260 Cb -0.15 -4.94 0.07 0.00 0.00 0.00 0.00 36.38 31.35 3hqp s VAL 260 CO 0.04 -1.77 1.68 0.00 0.00 0.00 0.00 175.10 175.05 3hqp s ALA 261 N 4.13 3.21 0.20 5.51 0.00 -0.91 -3.00 121.76 130.90 3hqp s ALA 261 Ca 0.40 -2.80 0.35 0.00 0.00 0.00 0.00 51.96 49.92 3hqp s ALA 261 Cb -0.02 -4.62 1.54 0.00 0.00 0.00 0.00 23.12 20.02 3hqp s ALA 261 CO -0.09 -3.36 2.05 0.00 0.00 0.00 0.00 175.76 174.37 3hqp h ARG 262 N 7.99 0.00 0.11 0.00 3.08 -1.84 -1.81 114.38 121.92 3hqp h ARG 262 Ca 0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 3hqp h ARG 262 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3hqp h ARG 262 CO 1.45 0.00 -0.05 0.78 -1.07 0.00 0.00 179.97 181.08 3hqp h GLY 263 N 1.71 -0.16 1.48 0.04 0.00 -1.87 -2.07 103.07 102.20 3hqp h GLY 263 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 3hqp h GLY 263 CO 0.00 -0.06 -0.03 -0.55 0.00 0.00 0.00 176.54 175.90 3hqp h ASP 264 N -0.16 0.61 -0.29 0.19 3.32 -1.86 -3.25 116.42 114.97 3hqp h ASP 264 Ca -0.02 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3hqp h ASP 264 Cb 0.12 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3hqp h ASP 264 CO 0.03 0.70 0.05 0.25 -1.72 0.00 0.00 179.24 178.55 3hqp h LEU 265 N 0.60 -0.01 -0.14 1.55 6.46 -1.36 -1.64 115.31 120.77 3hqp h LEU 265 Ca 0.12 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3hqp h LEU 265 Cb 0.43 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 3hqp h LEU 265 CO 0.02 0.03 0.00 0.61 -0.62 0.00 0.00 178.44 178.48 3hqp n GLY 266 N -1.21 -0.58 0.33 3.75 0.00 -0.78 -0.68 105.19 106.02 3hqp n GLY 266 Ca -0.00 0.00 -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 -0.42 0.72 -0.18 1.61 0.31 -0.85 -3.71 118.33 115.80 3hqp n VAL 267 Ca 0.00 -0.23 -0.05 0.00 -0.01 0.00 0.00 64.34 64.05 3hqp n VAL 267 Cb 0.03 -1.31 0.05 0.00 -0.91 0.00 0.00 33.84 31.70 3hqp n VAL 267 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hqp h GLU 268 N -0.24 0.59 -6.45 5.55 4.39 -1.11 -3.43 114.58 113.89 3hqp h GLU 268 Ca -0.31 -0.04 -0.63 0.00 0.34 0.00 0.00 59.36 58.73 3hqp h GLU 268 Cb 1.36 -0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 29.73 3hqp h GLU 268 CO -0.12 0.39 -0.75 0.96 -1.16 0.00 0.00 179.01 178.32 3hqp s ILE 269 N -6.14 2.84 0.16 3.13 -4.36 0.15 -4.78 121.20 112.20 3hqp s ILE 269 Ca -0.13 -1.91 -0.34 0.00 -0.26 0.00 0.00 60.65 58.01 3hqp s ILE 269 Cb 0.13 -2.41 -0.15 0.00 1.25 0.00 0.00 42.46 41.27 3hqp s ILE 269 CO 0.74 -0.18 1.27 -2.65 0.24 0.00 0.00 174.94 174.37 3hqp n PRO 270 N -0.06 1.36 -0.35 0.37 -0.02 -1.26 -4.21 135.00 130.83 3hqp n PRO 270 Ca -0.10 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 3hqp n PRO 270 Cb 0.57 -2.06 0.20 0.00 -0.02 0.00 0.00 33.50 32.18 3hqp n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp n ALA 271 N 1.94 0.34 0.29 3.55 0.00 -1.24 -0.87 120.51 124.52 3hqp n ALA 271 Ca 0.15 1.07 0.18 0.00 0.00 0.00 0.00 53.44 54.84 3hqp n ALA 271 Cb 0.25 -0.70 0.74 0.00 0.00 0.00 0.00 19.45 19.74 3hqp n ALA 271 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3hqp h GLU 272 N 0.00 0.00 -0.01 0.00 9.09 -1.93 -2.54 114.58 119.20 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 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 3hqp h GLU 272 CO -0.98 0.00 -0.08 1.63 0.05 0.00 0.00 179.01 179.63 3hqp n LYS 273 N -3.09 0.96 0.02 1.06 5.02 -0.05 -3.34 118.16 118.75 3hqp n LYS 273 Ca 0.00 -0.37 -0.04 0.00 -2.02 0.00 0.00 58.31 55.88 3hqp n LYS 273 Cb 0.28 -1.49 0.19 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.90 1.28 -0.28 -0.18 2.07 -1.48 -2.32 116.25 116.24 3hqp h VAL 274 Ca 0.00 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.20 3hqp h VAL 274 Cb 0.34 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3hqp h VAL 274 CO 0.00 0.42 0.12 0.58 0.02 0.00 0.00 177.57 178.71 3hqp h VAL 275 N 0.41 0.95 -0.22 2.57 2.07 -1.75 0.13 116.25 120.41 3hqp h VAL 275 Ca 0.05 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 3hqp h VAL 275 Cb 0.73 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3hqp h VAL 275 CO 0.06 0.05 -0.60 0.58 0.02 0.00 0.00 177.57 177.67 3hqp h VAL 276 N 0.26 1.29 -0.95 2.57 2.07 -1.77 -2.44 116.25 117.27 3hqp h VAL 276 Ca 0.12 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3hqp h VAL 276 Cb 0.07 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3hqp h VAL 276 CO -0.11 0.58 0.61 0.00 0.02 0.00 0.00 177.57 178.67 3hqp h ALA 277 N 0.61 1.28 -0.21 1.67 0.00 -1.16 -0.27 119.26 121.18 3hqp h ALA 277 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hqp h ALA 277 Cb 1.22 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3hqp h ALA 277 CO 0.13 0.65 0.08 0.37 0.00 0.00 0.00 179.25 180.48 3hqp h GLN 278 N 1.30 0.32 -0.21 0.00 4.15 -0.72 -1.30 115.11 118.65 3hqp h GLN 278 Ca 0.34 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.74 3hqp h GLN 278 Cb -0.11 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 3hqp h GLN 278 CO -0.07 0.39 0.00 0.87 -1.93 0.00 0.00 178.83 178.09 3hqp h LYS 279 N 0.18 0.06 0.07 1.69 1.57 -1.03 -2.33 116.57 116.79 3hqp h LYS 279 Ca 0.07 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3hqp h LYS 279 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hqp h LYS 279 CO -0.00 0.04 -0.11 0.82 -0.57 0.00 0.00 179.45 179.63 3hqp h ILE 280 N 0.07 0.75 -0.08 1.86 2.04 -0.99 -1.68 117.51 119.47 3hqp h ILE 280 Ca 0.10 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.81 3hqp h ILE 280 Cb 0.12 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3hqp h ILE 280 CO -0.16 0.00 -0.60 -0.07 0.00 0.00 0.00 178.15 177.31 3hqp h LEU 281 N -0.22 0.31 0.18 1.44 3.38 -1.21 -1.84 115.31 117.34 3hqp h LEU 281 Ca 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3hqp h LEU 281 Cb 0.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hqp h LEU 281 CO -0.06 0.84 -0.08 0.40 0.09 0.00 0.00 178.44 179.63 3hqp h ILE 282 N 0.20 0.94 -0.69 1.22 2.04 -1.39 -2.23 117.51 117.61 3hqp h ILE 282 Ca -0.01 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.15 3hqp h ILE 282 Cb 1.11 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 3hqp h ILE 282 CO 0.10 0.17 0.38 0.28 0.00 0.00 0.00 178.15 179.08 3hqp h SER 283 N -0.63 0.56 -0.75 1.72 0.02 -1.25 0.79 113.55 114.01 3hqp h SER 283 Ca -0.02 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3hqp h SER 283 Cb 0.46 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3hqp h SER 283 CO 0.04 0.35 0.37 0.11 -1.14 0.00 0.00 176.83 176.56 3hqp h LYS 284 N 0.69 1.08 -0.37 3.45 1.57 -1.37 -0.30 116.57 121.33 3hqp h LYS 284 Ca 0.32 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3hqp h LYS 284 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hqp h LYS 284 CO -0.20 0.83 -0.37 0.00 -0.57 0.00 0.00 179.45 179.14 3hqp h ASN 286 N 0.72 -0.61 -0.73 0.00 -0.26 -0.27 0.10 115.58 114.53 3hqp h ASN 286 Ca 0.06 0.08 0.05 0.00 -0.56 0.00 0.00 56.30 55.93 3hqp h ASN 286 Cb 0.95 0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 38.41 3hqp h ASN 286 CO 0.09 -0.30 0.48 0.58 -1.06 0.00 0.00 177.43 177.22 3hqp h VAL 287 N -0.39 1.06 0.00 2.81 2.07 -1.08 -1.94 116.25 118.77 3hqp h VAL 287 Ca 0.04 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3hqp h VAL 287 Cb 0.43 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3hqp h VAL 287 CO -0.14 0.15 -0.13 0.00 0.02 0.00 0.00 177.57 177.46 3hqp n ALA 288 N -2.44 2.51 -3.01 1.67 0.00 -0.72 -4.92 120.51 113.60 3hqp n ALA 288 Ca 0.10 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 3hqp n ALA 288 Cb 0.19 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 1.40 0.25 3.22 0.00 0.00 -0.13 -5.05 105.19 104.88 3hqp n GLY 289 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -5.61 2.29 0.16 1.61 1.02 -0.31 -4.85 119.74 114.06 3hqp s LYS 290 Ca 0.27 -0.80 -0.33 0.00 0.02 0.00 0.00 55.97 55.13 3hqp s LYS 290 Cb -0.12 -1.95 -0.16 0.00 -0.52 0.00 0.00 37.83 35.08 3hqp s LYS 290 CO 0.34 0.33 1.13 -2.30 -0.92 0.00 0.00 175.35 173.93 3hqp n PRO 291 N 3.03 1.05 -4.27 -1.68 -0.01 -1.26 -4.38 135.00 127.48 3hqp n PRO 291 Ca -0.18 0.37 -0.21 0.00 -0.01 0.00 0.00 63.50 63.47 3hqp n PRO 291 Cb 0.52 -1.85 -0.16 0.00 -0.01 0.00 0.00 33.50 32.00 3hqp n PRO 291 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 3hqp s VAL 292 N -0.21 0.72 -0.16 -1.45 0.11 -1.26 -1.42 120.40 116.73 3hqp s VAL 292 Ca 0.74 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.53 3hqp s VAL 292 Cb -0.88 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 3hqp s VAL 292 CO 0.53 0.27 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.89 3hqp s ILE 293 N 0.87 3.81 -0.22 7.04 1.01 0.22 -1.78 121.20 132.16 3hqp s ILE 293 Ca -0.12 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 3hqp s ILE 293 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3hqp s ILE 293 CO 0.01 0.49 0.28 0.00 0.00 0.00 0.00 174.94 175.72 3hqp s ALA 295 N 1.19 1.13 0.00 0.00 0.00 -1.16 -1.67 121.76 121.24 3hqp s ALA 295 Ca 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3hqp s ALA 295 Cb -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3hqp s ALA 295 CO 0.06 0.10 0.00 2.41 0.00 0.00 0.00 175.76 178.34 3hqp n THR 296 N 1.10 -0.61 -1.51 0.00 -1.04 -1.26 -3.31 114.28 107.64 3hqp n THR 296 Ca -0.20 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.63 3hqp n THR 296 Cb 0.55 -0.61 -0.08 0.00 -1.82 0.00 0.00 70.33 68.37 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 1.78 -1.47 -0.23 -2.82 6.02 -1.26 -4.82 117.38 114.58 3hqp n GLN 297 Ca 0.00 1.12 -0.08 0.00 -0.01 0.00 0.00 57.00 58.03 3hqp n GLN 297 Cb 0.00 -5.49 0.03 0.00 1.02 0.00 0.00 30.24 25.80 3hqp n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqp h MET 298 N 0.00 1.05 -0.83 -1.09 2.86 -1.88 -3.23 114.93 111.82 3hqp h MET 298 Ca -0.36 -0.27 -0.40 0.00 -2.06 0.00 0.00 59.70 56.61 3hqp h MET 298 Cb 1.28 -0.13 -0.41 0.00 0.06 0.00 0.00 31.60 32.40 3hqp h MET 298 CO 0.53 0.96 -1.01 1.28 1.06 0.00 0.00 176.91 179.73 3hqp n LEU 299 N -4.27 2.77 -0.25 1.22 4.77 -1.26 -4.60 117.00 115.37 3hqp n LEU 299 Ca 0.04 -3.94 0.05 0.00 -0.03 0.00 0.00 56.01 52.13 3hqp n LEU 299 Cb 0.27 0.14 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 3hqp n LEU 299 CO 0.42 1.60 0.83 -0.08 -1.33 0.00 0.00 177.39 178.84 3hqp h GLU 300 N 2.62 0.11 0.00 3.23 4.57 -1.95 -1.78 114.58 121.38 3hqp h GLU 300 Ca 0.05 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3hqp h GLU 300 Cb 1.25 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3hqp h GLU 300 CO 0.50 0.08 0.00 -1.13 -1.18 0.00 0.00 179.01 177.28 3hqp n SER 301 N -5.32 0.09 -0.45 1.04 3.41 -1.26 -1.87 113.62 109.26 3hqp n SER 301 Ca 0.13 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3hqp n SER 301 Cb 0.46 -0.55 0.37 0.00 -0.26 0.00 0.00 64.21 64.23 3hqp n SER 301 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hqp n MET 302 N -1.61 1.59 0.15 4.33 2.81 -0.67 -0.89 117.12 122.82 3hqp n MET 302 Ca 0.02 -0.89 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 3hqp n MET 302 Cb 0.14 -1.35 0.29 0.00 -0.71 0.00 0.00 33.22 31.59 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 1.74 1.31 0.00 2.03 2.02 -1.54 -3.37 112.91 115.10 3hqp h THR 303 Ca 0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3hqp h THR 303 Cb 0.38 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3hqp h THR 303 CO 0.00 0.43 -0.94 -1.22 0.37 0.00 0.00 175.52 174.15 3hqp n TYR 304 N -4.03 0.00 -4.23 3.16 4.02 -1.09 -0.25 117.16 114.74 3hqp n TYR 304 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 3hqp n TYR 304 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.69 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 -2.39 4.46 0.00 7.72 0.02 -0.07 -4.94 114.94 119.74 3hqp s ASN 305 Ca 0.00 -0.42 0.29 0.00 -1.02 0.00 0.00 52.86 51.70 3hqp s ASN 305 Cb 0.00 -0.86 1.39 0.00 0.02 0.00 0.00 41.25 41.80 3hqp s ASN 305 CO 0.00 0.15 1.97 -0.81 0.02 0.00 0.00 177.10 178.43 3hqp n PRO 306 N 0.41 0.31 -4.15 -0.60 -0.04 -1.26 -4.20 135.00 125.47 3hqp n PRO 306 Ca -0.12 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.20 3hqp n PRO 306 Cb 0.53 -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 0.43 0.85 0.54 0.52 -1.26 -4.91 118.95 112.45 3hqp s ARG 307 Ca 0.24 -0.24 -0.12 0.00 -0.52 0.00 0.00 55.73 55.09 3hqp s ARG 307 Cb 0.19 -0.39 0.10 0.00 0.52 0.00 0.00 34.95 35.37 3hqp s ARG 307 CO 0.46 0.10 1.16 -1.25 0.02 0.00 0.00 175.30 175.79 3hqp s PRO 308 N -0.25 1.61 0.63 3.54 0.04 -1.26 -4.69 135.00 134.62 3hqp s PRO 308 Ca 0.01 0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.21 3hqp s PRO 308 Cb -0.03 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.65 3hqp s PRO 308 CO -0.00 -1.86 0.93 0.95 0.04 0.00 0.00 177.00 177.06 3hqp s THR 309 N -3.43 3.00 0.29 1.26 -4.23 -1.26 -4.95 115.64 106.32 3hqp s THR 309 Ca 0.63 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 3hqp s THR 309 Cb -0.13 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.75 3hqp s THR 309 CO 0.51 -0.23 1.95 0.03 -0.54 0.00 0.00 174.62 176.34 3hqp h ARG 310 N -0.31 1.11 -0.09 3.99 2.47 -2.00 -2.08 114.38 117.47 3hqp h ARG 310 Ca -0.45 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.11 3hqp h ARG 310 Cb 1.28 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3hqp h ARG 310 CO 0.60 0.74 -0.37 0.00 0.56 0.00 0.00 179.97 181.50 3hqp h ALA 311 N 1.47 1.21 -0.01 0.04 0.00 -1.99 -2.53 119.26 117.46 3hqp h ALA 311 Ca 0.34 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3hqp h ALA 311 Cb -0.06 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hqp h ALA 311 CO -0.09 0.54 -0.87 0.93 0.00 0.00 0.00 179.25 179.76 3hqp h GLU 312 N 0.16 0.61 0.09 0.00 5.08 -1.65 -0.80 114.58 118.07 3hqp h GLU 312 Ca 0.02 -0.64 0.01 0.00 -1.00 0.00 0.00 59.36 57.75 3hqp h GLU 312 Cb 0.73 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3hqp h GLU 312 CO 0.05 1.25 -0.13 0.28 -1.00 0.00 0.00 179.01 179.46 3hqp h VAL 313 N 0.23 0.71 -0.79 3.13 2.07 -1.48 -2.33 116.25 117.78 3hqp h VAL 313 Ca -0.11 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.58 3hqp h VAL 313 Cb 1.54 0.71 -0.11 0.00 -1.52 0.00 0.00 31.29 31.92 3hqp h VAL 313 CO 0.17 0.00 0.31 -1.28 0.02 0.00 0.00 177.57 176.79 3hqp h SER 314 N -0.26 0.26 -0.09 0.57 0.87 -1.41 -2.16 113.55 111.33 3hqp h SER 314 Ca 0.02 0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 3hqp h SER 314 Cb 0.27 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3hqp h SER 314 CO -0.06 0.06 -0.44 -0.78 -0.53 0.00 0.00 176.83 175.08 3hqp h ASP 315 N 0.41 0.68 -0.36 6.23 3.58 -0.90 -1.30 116.42 124.77 3hqp h ASP 315 Ca 0.45 -0.32 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 3hqp h ASP 315 Cb 0.75 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3hqp h ASP 315 CO -0.45 1.03 -0.13 0.58 -2.88 0.00 0.00 179.24 177.39 3hqp h VAL 316 N 0.51 1.28 -0.05 2.25 2.07 -1.08 -1.84 116.25 119.39 3hqp h VAL 316 Ca 0.04 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 3hqp h VAL 316 Cb 0.97 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3hqp h VAL 316 CO 0.09 0.40 0.03 0.00 0.02 0.00 0.00 177.57 178.11 3hqp h ALA 317 N 0.80 0.07 0.00 1.67 0.00 -1.31 -2.78 119.26 117.71 3hqp h ALA 317 Ca 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 317 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hqp h ALA 317 CO 0.04 -0.37 -0.26 -0.91 0.00 0.00 0.00 179.25 177.76 3hqp h ASN 318 N -0.04 0.00 -0.58 0.00 2.35 -1.28 -0.11 115.58 115.93 3hqp h ASN 318 Ca 0.02 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3hqp h ASN 318 Cb 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 3hqp h ASN 318 CO -0.00 0.26 0.33 0.00 -1.65 0.00 0.00 177.43 176.36 3hqp h ALA 319 N 1.74 0.75 -0.20 -0.83 0.00 -1.07 0.26 119.26 119.92 3hqp h ALA 319 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hqp h ALA 319 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hqp h ALA 319 CO 0.03 0.02 0.03 0.28 0.00 0.00 0.00 179.25 179.62 3hqp h VAL 320 N 0.64 1.22 -0.81 0.00 2.07 -1.03 -2.70 116.25 115.63 3hqp h VAL 320 Ca 0.25 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3hqp h VAL 320 Cb 0.09 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3hqp h VAL 320 CO -0.14 0.23 0.54 -0.26 0.02 0.00 0.00 177.57 177.96 3hqp h PHE 321 N 0.13 0.98 -0.25 1.57 0.04 -0.87 -2.35 116.94 116.20 3hqp h PHE 321 Ca 0.06 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.86 3hqp h PHE 321 Cb 0.32 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3hqp h PHE 321 CO 0.02 0.59 0.16 -0.91 -0.60 0.00 0.00 178.31 177.57 3hqp h ASN 322 N 1.03 0.27 0.00 2.17 -0.26 -0.17 -3.47 115.58 115.15 3hqp h ASN 322 Ca 0.32 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 3hqp h ASN 322 Cb -0.01 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 3hqp h ASN 322 CO -0.09 0.20 0.00 0.61 -1.06 0.00 0.00 177.43 177.09 3hqp n GLY 323 N -1.50 1.59 3.76 2.83 0.00 -0.88 -4.59 105.19 106.38 3hqp n GLY 323 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 3.49 0.17 4.61 0.00 -1.06 -4.89 121.76 122.08 3hqp s ALA 324 Ca 0.00 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 3hqp s ALA 324 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3hqp s ALA 324 CO 0.00 -0.50 1.53 -0.44 0.00 0.00 0.00 175.76 176.35 3hqp h ASP 325 N 4.18 0.93 -4.37 0.00 5.19 -1.66 -3.45 116.42 117.24 3hqp h ASP 325 Ca -0.47 -0.40 -0.45 0.00 -0.62 0.00 0.00 57.03 55.10 3hqp h ASP 325 Cb 1.22 -0.26 -0.23 0.00 0.18 0.00 0.00 39.33 40.24 3hqp h ASP 325 CO 0.70 1.17 -0.79 0.00 -3.12 0.00 0.00 179.24 177.20 3hqp s VAL 327 N -1.06 2.35 0.05 0.00 -7.23 -0.27 -1.38 120.40 112.86 3hqp s VAL 327 Ca 0.01 -1.58 0.09 0.00 -1.81 0.00 0.00 61.98 58.69 3hqp s VAL 327 Cb -0.09 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 3hqp s VAL 327 CO 0.02 0.19 -0.24 -0.32 -0.31 0.00 0.00 175.10 174.43 3hqp s MET 328 N -1.80 1.63 -0.11 4.82 1.75 -0.67 -1.48 119.30 123.44 3hqp s MET 328 Ca 0.14 -1.06 0.02 0.00 -1.25 0.00 0.00 55.69 53.54 3hqp s MET 328 Cb -0.10 -1.80 -0.01 0.00 2.84 0.00 0.00 34.83 35.76 3hqp s MET 328 CO 0.05 0.46 -0.17 -0.51 -0.65 0.00 0.00 175.02 174.21 3hqp s LEU 329 N -1.26 2.50 0.00 4.11 1.43 0.71 -4.20 118.68 121.97 3hqp s LEU 329 Ca 0.10 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3hqp s LEU 329 Cb -0.10 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3hqp s LEU 329 CO 0.02 0.19 0.00 -1.20 0.23 0.00 0.00 176.35 175.59 3hqp n SER 330 N 3.36 0.00 0.24 2.29 7.64 -1.26 -1.71 113.62 124.18 3hqp n SER 330 Ca -0.18 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.85 3hqp n SER 330 Cb 0.53 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 64.26 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 0.84 0.23 0.00 -1.97 -1.42 103.07 100.75 3hqp h GLY 331 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3hqp h GLY 331 CO 0.00 0.00 0.46 0.83 0.00 0.00 0.00 176.54 177.83 3hqp h GLU 332 N 0.00 0.41 0.00 4.80 3.07 -1.89 -2.60 114.58 118.36 3hqp h GLU 332 Ca 0.00 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.68 3hqp h GLU 332 Cb 0.62 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 3hqp h GLU 332 CO 0.00 0.27 -1.62 0.25 -1.40 0.00 0.00 179.01 176.51 3hqp n THR 333 N -4.47 0.59 -0.28 1.13 -2.24 -1.12 -3.69 114.28 104.19 3hqp n THR 333 Ca 0.12 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.47 3hqp n THR 333 Cb 0.46 -0.69 0.06 0.00 -2.10 0.00 0.00 70.33 68.06 3hqp n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqp h ALA 334 N 0.48 0.99 0.00 6.98 0.00 -1.00 -3.35 119.26 123.36 3hqp h ALA 334 Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hqp h ALA 334 Cb 1.50 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hqp h ALA 334 CO 0.01 0.51 -0.30 0.36 0.00 0.00 0.00 179.25 179.84 3hqp n LYS 335 N -4.42 0.00 -2.44 0.00 2.85 -1.01 -1.95 118.16 111.18 3hqp n LYS 335 Ca 0.07 -0.62 -0.27 0.00 -1.05 0.00 0.00 58.31 56.44 3hqp n LYS 335 Cb 0.10 -0.32 0.02 0.00 -0.65 0.00 0.00 35.03 34.18 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 -0.59 1.57 0.31 2.58 0.00 -1.04 -4.88 107.32 105.26 3hqp s GLY 336 Ca 0.00 -0.57 0.25 0.00 0.00 0.00 0.00 44.72 44.40 3hqp s GLY 336 CO 0.00 -0.34 1.73 0.50 0.00 0.00 0.00 173.10 174.99 3hqp h LYS 337 N -0.04 0.00 -1.98 2.90 1.57 -0.85 -3.39 116.57 114.78 3hqp h LYS 337 Ca -0.46 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.84 3hqp h LYS 337 Cb 1.23 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 3hqp h LYS 337 CO 0.61 0.00 -1.15 0.66 -0.57 0.00 0.00 179.45 179.00 3hqp n TYR 338 N -2.58 0.58 -0.11 -1.35 4.01 -1.26 -4.98 117.16 111.47 3hqp n TYR 338 Ca 0.04 -3.79 -0.07 0.00 -0.16 0.00 0.00 57.90 53.93 3hqp n TYR 338 Cb 0.44 -0.42 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 3hqp n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hqp h PRO 339 N 3.00 0.32 -0.25 -0.72 0.11 -1.76 -1.28 132.00 131.41 3hqp h PRO 339 Ca 0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 3hqp h PRO 339 Cb 0.94 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3hqp h PRO 339 CO 0.53 0.21 0.05 -0.91 -0.21 0.00 0.00 178.00 177.67 3hqp h ASN 340 N 0.33 0.39 -0.83 -2.05 2.35 -1.93 -2.88 115.58 110.95 3hqp h ASN 340 Ca 0.15 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3hqp h ASN 340 Cb 0.09 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3hqp h ASN 340 CO -0.13 0.53 0.40 -0.33 -1.65 0.00 0.00 177.43 176.26 3hqp h GLU 341 N 0.22 1.20 -0.57 0.81 3.07 -1.90 -0.19 114.58 117.23 3hqp h GLU 341 Ca 0.08 -0.17 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 3hqp h GLU 341 Cb 0.30 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3hqp h GLU 341 CO 0.00 0.92 0.02 -0.24 -1.40 0.00 0.00 179.01 178.31 3hqp h VAL 342 N 1.19 1.26 -0.30 3.13 3.04 -1.24 -0.29 116.25 123.03 3hqp h VAL 342 Ca 0.29 -1.07 -0.18 0.00 -1.01 0.00 0.00 66.70 64.72 3hqp h VAL 342 Cb 0.11 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 30.19 3hqp h VAL 342 CO -0.04 0.39 -0.52 0.58 -1.01 0.00 0.00 177.57 176.97 3hqp h VAL 343 N 0.89 1.27 -0.53 1.51 2.07 -1.26 -1.90 116.25 118.30 3hqp h VAL 343 Ca 0.17 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 66.01 3hqp h VAL 343 Cb 0.49 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3hqp h VAL 343 CO 0.02 0.56 0.31 1.56 0.02 0.00 0.00 177.57 180.04 3hqp h GLN 344 N 0.68 0.60 -0.54 1.57 4.20 -0.86 -1.67 115.11 119.09 3hqp h GLN 344 Ca 0.02 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3hqp h GLN 344 Cb 1.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 3hqp h GLN 344 CO 0.12 0.39 0.19 1.88 -0.67 0.00 0.00 178.83 180.74 3hqp h TYR 345 N 0.61 0.84 -0.71 2.96 0.05 -0.93 -1.85 116.97 117.94 3hqp h TYR 345 Ca 0.22 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.87 3hqp h TYR 345 Cb 0.05 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 3hqp h TYR 345 CO -0.07 0.70 0.21 1.98 -1.05 0.00 0.00 178.16 179.93 3hqp h MET 346 N 0.73 1.10 -0.60 4.88 4.05 -1.19 -1.26 114.93 122.64 3hqp h MET 346 Ca 0.18 -0.24 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 3hqp h MET 346 Cb 0.24 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3hqp h MET 346 CO -0.01 0.94 -0.01 0.00 0.23 0.00 0.00 176.91 178.07 3hqp h ALA 347 N 1.17 0.82 -0.47 0.39 0.00 -1.15 -1.78 119.26 118.23 3hqp h ALA 347 Ca 0.23 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3hqp h ALA 347 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hqp h ALA 347 CO -0.01 0.66 -0.01 -0.09 0.00 0.00 0.00 179.25 179.80 3hqp h ARG 348 N 0.97 0.79 -0.01 0.00 2.43 -0.98 -2.15 114.38 115.44 3hqp h ARG 348 Ca 0.17 -0.22 -0.25 0.00 -0.81 0.00 0.00 59.98 58.87 3hqp h ARG 348 Cb 0.57 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hqp h ARG 348 CO 0.03 0.81 -0.99 0.82 -1.51 0.00 0.00 179.97 179.13 3hqp h ILE 349 N 0.74 1.32 -0.09 1.20 2.04 -1.09 -2.65 117.51 118.99 3hqp h ILE 349 Ca 0.14 -2.30 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 3hqp h ILE 349 Cb 0.47 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3hqp h ILE 349 CO 0.02 0.70 0.03 0.00 0.00 0.00 0.00 178.15 178.91 3hqp h LEU 351 N -0.03 1.00 -0.33 0.00 6.46 -1.44 -0.06 115.31 120.91 3hqp h LEU 351 Ca 0.03 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 3hqp h LEU 351 Cb 0.19 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3hqp h LEU 351 CO -0.00 0.60 -0.07 -0.08 -0.62 0.00 0.00 178.44 178.27 3hqp h GLU 352 N 1.11 0.63 -0.87 1.25 4.57 -1.28 -2.85 114.58 117.14 3hqp h GLU 352 Ca 0.45 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 3hqp h GLU 352 Cb 0.27 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 3hqp h GLU 352 CO -0.20 0.80 0.48 0.00 -1.18 0.00 0.00 179.01 178.90 3hqp h ALA 353 N 0.81 1.20 -0.85 2.92 0.00 -0.73 -2.29 119.26 120.32 3hqp h ALA 353 Ca 0.08 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hqp h ALA 353 Cb 0.57 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3hqp h ALA 353 CO 0.03 0.64 0.56 0.37 0.00 0.00 0.00 179.25 180.85 3hqp h GLN 354 N 1.22 0.91 -0.54 0.00 4.15 -0.87 -0.06 115.11 119.91 3hqp h GLN 354 Ca 0.31 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.75 3hqp h GLN 354 Cb 0.03 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 27.45 3hqp h GLN 354 CO -0.05 0.60 0.20 0.77 -1.93 0.00 0.00 178.83 178.42 3hqp h SER 355 N 0.93 0.20 1.26 -0.69 0.02 -1.18 -2.82 113.55 111.27 3hqp h SER 355 Ca 0.37 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3hqp h SER 355 Cb 0.24 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3hqp h SER 355 CO -0.14 0.13 -0.27 0.00 -1.14 0.00 0.00 176.83 175.41 3hqp h ALA 356 N 1.37 0.82 -2.73 3.77 0.00 -1.21 -3.46 119.26 117.83 3hqp h ALA 356 Ca 0.27 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.65 3hqp h ALA 356 Cb 0.30 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hqp h ALA 356 CO -0.27 0.00 0.68 -1.17 0.00 0.00 0.00 179.25 178.50 3hqp s LEU 357 N -4.55 4.41 -1.07 0.00 2.96 -0.16 -4.96 118.68 115.32 3hqp s LEU 357 Ca 0.08 2.53 -0.10 0.00 -0.22 0.00 0.00 54.13 56.42 3hqp s LEU 357 Cb 0.12 -3.62 0.27 0.00 0.50 0.00 0.00 46.19 43.46 3hqp s LEU 357 CO 0.66 -0.58 1.06 0.21 -1.32 0.00 0.00 176.35 176.38 3hqp s ASN 358 N 0.22 7.22 0.36 3.68 3.84 -1.26 -4.90 114.94 124.11 3hqp s ASN 358 Ca 0.56 -3.43 0.05 0.00 0.21 0.00 0.00 52.86 50.26 3hqp s ASN 358 Cb -0.39 -2.22 0.73 0.00 -0.55 0.00 0.00 41.25 38.82 3hqp s ASN 358 CO 0.42 -0.35 1.98 -0.33 -2.79 0.00 0.00 177.10 176.03 3hqp h GLU 359 N 6.87 0.74 -0.25 0.43 3.07 -1.93 -2.20 114.58 121.32 3hqp h GLU 359 Ca 0.17 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 3hqp h GLU 359 Cb 0.90 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3hqp h GLU 359 CO 0.98 0.49 0.09 -0.92 -1.40 0.00 0.00 179.01 178.25 3hqp h TYR 360 N 0.76 0.38 -0.75 4.33 3.20 -1.91 0.31 116.97 123.30 3hqp h TYR 360 Ca 0.28 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3hqp h TYR 360 Cb 0.14 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3hqp h TYR 360 CO -0.00 0.41 0.41 0.28 -1.64 0.00 0.00 178.16 177.63 3hqp h VAL 361 N 0.24 1.23 -0.17 1.81 2.07 -1.91 -1.12 116.25 118.40 3hqp h VAL 361 Ca 0.08 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3hqp h VAL 361 Cb 0.20 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3hqp h VAL 361 CO -0.01 0.25 0.05 0.15 0.02 0.00 0.00 177.57 178.03 3hqp h PHE 362 N 1.04 0.08 0.20 1.57 -0.00 -1.11 -0.58 116.94 118.13 3hqp h PHE 362 Ca 0.26 0.01 0.01 0.00 -0.00 0.00 0.00 57.97 58.26 3hqp h PHE 362 Cb 0.04 -0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 35.94 3hqp h PHE 362 CO -0.00 0.04 -0.41 0.35 -0.00 0.00 0.00 178.31 178.28 3hqp h PHE 363 N 0.12 -1.14 -0.80 0.41 3.57 0.05 -2.07 116.94 117.09 3hqp h PHE 363 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3hqp h PHE 363 Cb 0.06 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3hqp h PHE 363 CO -0.12 -0.52 0.45 -0.91 -2.23 0.00 0.00 178.31 174.97 3hqp h ASN 364 N -0.70 0.97 -0.62 0.41 2.35 -1.10 -1.75 115.58 115.14 3hqp h ASN 364 Ca 0.01 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3hqp h ASN 364 Cb 0.69 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 3hqp h ASN 364 CO -0.19 0.77 0.31 0.28 -1.65 0.00 0.00 177.43 176.95 3hqp h SER 365 N 1.11 0.79 -0.01 5.81 0.02 -0.94 -1.09 113.55 119.23 3hqp h SER 365 Ca 0.28 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hqp h SER 365 Cb -0.00 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3hqp h SER 365 CO -0.05 0.68 0.00 0.40 -1.14 0.00 0.00 176.83 176.72 3hqp h ILE 366 N 0.84 1.17 -0.68 3.27 2.04 -1.00 -2.96 117.51 120.20 3hqp h ILE 366 Ca 0.21 -0.51 0.15 0.00 1.00 0.00 0.00 64.86 65.71 3hqp h ILE 366 Cb 0.09 1.50 -0.12 0.00 -0.74 0.00 0.00 36.82 37.55 3hqp h ILE 366 CO -0.03 0.13 -0.05 0.50 0.00 0.00 0.00 178.15 178.70 3hqp h LYS 367 N -0.20 0.07 0.00 2.37 3.64 -1.21 -1.25 116.57 119.99 3hqp h LYS 367 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hqp h LYS 367 Cb 0.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3hqp h LYS 367 CO -0.00 0.05 0.00 0.87 -2.27 0.00 0.00 179.45 178.10 3hqp h LYS 368 N 0.07 0.00 -0.01 1.90 6.56 -1.04 -3.14 116.57 120.92 3hqp h LYS 368 Ca 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 3hqp h LYS 368 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 3hqp h LYS 368 CO -0.63 0.00 -0.77 1.28 -2.06 0.00 0.00 179.45 177.27 3hqp n LEU 369 N -2.57 1.35 -4.75 2.94 4.77 -0.48 -4.93 117.00 113.33 3hqp n LEU 369 Ca 0.01 -0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 55.02 3hqp n LEU 369 Cb 0.23 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3hqp n LEU 369 CO 0.21 0.29 0.75 -1.10 -1.33 0.00 0.00 177.39 176.21 3hqp s GLN 370 N -2.80 4.70 0.34 3.23 -1.52 -1.18 -5.02 119.66 117.42 3hqp s GLN 370 Ca 0.12 1.71 -0.29 0.00 -1.95 0.00 0.00 55.36 54.95 3hqp s GLN 370 Cb 0.17 -3.22 -0.11 0.00 -0.22 0.00 0.00 33.01 29.63 3hqp s GLN 370 CO 0.75 0.29 1.55 1.58 -0.25 0.00 0.00 175.29 179.21 3hqp n HIS 371 N 1.35 2.97 -5.00 0.91 -0.00 -1.26 -5.00 115.22 109.19 3hqp n HIS 371 Ca -0.01 0.35 -0.32 0.00 -0.00 0.00 0.00 57.72 57.73 3hqp n HIS 371 Cb 0.45 -2.57 -0.15 0.00 -0.00 0.00 0.00 29.99 27.72 3hqp n HIS 371 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hqp s ILE 372 N -0.60 2.62 0.18 3.57 1.01 -1.26 -3.57 121.20 123.15 3hqp s ILE 372 Ca 0.58 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 3hqp s ILE 372 Cb -0.48 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 3hqp s ILE 372 CO 0.57 0.56 1.17 -2.16 0.00 0.00 0.00 174.94 175.07 3hqp s PRO 373 N 0.00 4.52 0.75 2.79 0.04 -1.26 -5.18 135.00 136.65 3hqp s PRO 373 Ca -0.06 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 3hqp s PRO 373 Cb -0.15 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.18 3hqp s PRO 373 CO 0.05 -0.05 1.08 -1.64 0.04 0.00 0.00 177.00 176.47 3hqp s MET 374 N -0.21 2.50 0.78 4.56 -1.94 -1.23 -5.06 119.30 118.70 3hqp s MET 374 Ca 0.52 0.99 -0.11 0.00 -1.71 0.00 0.00 55.69 55.38 3hqp s MET 374 Cb -0.31 -1.94 0.06 0.00 2.01 0.00 0.00 34.83 34.64 3hqp s MET 374 CO 0.36 -1.42 1.09 -1.54 -0.01 0.00 0.00 175.02 173.50 3hqp s SER 375 N -3.64 4.66 0.09 3.03 1.04 -1.26 -4.85 113.70 112.78 3hqp s SER 375 Ca 0.60 1.40 -0.28 0.00 0.48 0.00 0.00 55.95 58.15 3hqp s SER 375 Cb -0.15 -2.17 -0.13 0.00 0.10 0.00 0.00 66.02 63.67 3hqp s SER 375 CO 0.55 -1.87 1.66 0.00 0.98 0.00 0.00 173.24 174.56 3hqp h ALA 376 N -1.02 -0.46 -0.71 5.32 0.00 -1.97 -1.04 119.26 119.38 3hqp h ALA 376 Ca -0.46 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.49 3hqp h ALA 376 Cb 1.25 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 3hqp h ALA 376 CO 0.58 -0.78 0.29 0.38 0.00 0.00 0.00 179.25 179.72 3hqp h ASP 377 N -0.48 0.31 -0.63 0.00 2.03 -1.95 -1.61 116.42 114.09 3hqp h ASP 377 Ca -0.01 0.09 -0.07 0.00 -0.73 0.00 0.00 57.03 56.30 3hqp h ASP 377 Cb 0.44 0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.96 3hqp h ASP 377 CO -0.03 0.15 0.10 -0.08 -1.03 0.00 0.00 179.24 178.36 3hqp h GLU 378 N 0.47 1.04 -0.23 4.15 4.81 -1.78 -2.47 114.58 120.58 3hqp h GLU 378 Ca 0.37 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3hqp h GLU 378 Cb 0.50 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3hqp h GLU 378 CO -0.34 0.97 -0.14 0.00 -0.73 0.00 0.00 179.01 178.76 3hqp h ALA 379 N 1.03 1.35 -0.48 2.92 0.00 -0.73 -2.05 119.26 121.30 3hqp h ALA 379 Ca 0.19 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3hqp h ALA 379 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hqp h ALA 379 CO 0.01 0.44 -0.19 0.28 0.00 0.00 0.00 179.25 179.80 3hqp h VAL 380 N 0.35 1.27 0.05 0.00 2.07 -1.02 -0.43 116.25 118.54 3hqp h VAL 380 Ca 0.07 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 3hqp h VAL 380 Cb 0.46 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3hqp h VAL 380 CO 0.03 0.46 -0.02 0.00 0.02 0.00 0.00 177.57 178.06 3hqp h SER 382 N -0.55 -0.29 0.59 0.00 0.87 -1.39 -1.14 113.55 111.64 3hqp h SER 382 Ca -0.01 0.17 -0.17 0.00 -1.23 0.00 0.00 61.79 60.55 3hqp h SER 382 Cb 0.49 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 3hqp h SER 382 CO 0.01 -0.14 -0.76 0.28 -0.53 0.00 0.00 176.83 175.69 3hqp h SER 383 N 0.12 0.16 -0.60 6.23 0.02 -1.08 -1.91 113.55 116.50 3hqp h SER 383 Ca 0.36 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3hqp h SER 383 Cb 0.61 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3hqp h SER 383 CO -0.58 0.86 0.34 0.00 -1.14 0.00 0.00 176.83 176.31 3hqp h ALA 384 N 1.13 0.77 -0.48 3.77 0.00 -0.74 -0.98 119.26 122.73 3hqp h ALA 384 Ca -0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3hqp h ALA 384 Cb 1.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hqp h ALA 384 CO 0.11 0.28 -0.22 0.28 0.00 0.00 0.00 179.25 179.70 3hqp h VAL 385 N 0.81 1.27 -0.80 0.00 2.07 -1.06 -1.43 116.25 117.12 3hqp h VAL 385 Ca 0.21 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.43 3hqp h VAL 385 Cb 0.02 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3hqp h VAL 385 CO -0.04 0.48 0.46 -1.13 0.02 0.00 0.00 177.57 177.36 3hqp h ASN 386 N 0.85 0.67 -0.79 0.57 -1.24 -1.22 -2.28 115.58 112.14 3hqp h ASN 386 Ca 0.11 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 3hqp h ASN 386 Cb 0.80 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.72 3hqp h ASN 386 CO 0.07 0.39 0.44 0.28 -1.29 0.00 0.00 177.43 177.33 3hqp h SER 387 N 0.79 0.98 -0.04 1.15 0.02 -0.47 -2.15 113.55 113.83 3hqp h SER 387 Ca 0.38 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 3hqp h SER 387 Cb 0.31 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 3hqp h SER 387 CO -0.23 0.78 -0.28 0.58 -1.14 0.00 0.00 176.83 176.55 3hqp h VAL 388 N 1.11 0.37 -0.47 2.27 2.07 -0.71 -0.60 116.25 120.29 3hqp h VAL 388 Ca 0.28 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.74 3hqp h VAL 388 Cb 0.01 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3hqp h VAL 388 CO -0.05 0.00 0.02 1.88 0.02 0.00 0.00 177.57 179.44 3hqp h TYR 389 N -0.40 0.80 -0.17 1.57 0.05 -1.25 0.37 116.97 117.95 3hqp h TYR 389 Ca 0.07 -0.10 -0.18 0.00 0.05 0.00 0.00 58.73 58.58 3hqp h TYR 389 Cb 0.50 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 3hqp h TYR 389 CO -0.33 0.74 -0.62 0.93 -1.05 0.00 0.00 178.16 177.83 3hqp h GLU 390 N 0.72 0.58 0.00 4.88 5.08 -1.13 -3.16 114.58 121.55 3hqp h GLU 390 Ca 0.14 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hqp h GLU 390 Cb 0.41 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hqp h GLU 390 CO 0.02 1.02 -0.86 0.25 -1.00 0.00 0.00 179.01 178.44 3hqp n THR 391 N -3.93 0.03 -3.65 1.13 -2.24 -0.25 -4.98 114.28 100.39 3hqp n THR 391 Ca -0.04 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 3hqp n THR 391 Cb 0.65 0.58 0.05 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.60 -5.38 -1.74 -0.78 5.02 0.12 -4.94 118.16 108.86 3hqp n LYS 392 Ca 0.04 0.67 -0.35 0.00 -2.02 0.00 0.00 58.31 56.65 3hqp n LYS 392 Cb 0.36 -5.36 0.06 0.00 -0.02 0.00 0.00 35.03 30.07 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 -3.58 2.36 -0.81 7.82 0.00 -0.48 -4.82 121.76 122.25 3hqp s ALA 393 Ca 0.05 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.01 3hqp s ALA 393 Cb -0.02 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3hqp s ALA 393 CO 0.79 -1.49 0.64 1.63 0.00 0.00 0.00 175.76 177.34 3hqp n LYS 394 N -2.14 1.04 -3.62 0.00 5.02 -0.92 -4.78 118.16 112.76 3hqp n LYS 394 Ca 0.13 -0.75 -0.10 0.00 -2.02 0.00 0.00 58.31 55.57 3hqp n LYS 394 Cb 0.50 -1.08 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.84 -1.33 -0.01 7.82 0.00 -1.26 -4.28 121.76 121.86 3hqp s ALA 395 Ca 0.07 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3hqp s ALA 395 Cb 0.06 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 3hqp s ALA 395 CO 0.13 -0.86 -0.08 1.41 0.00 0.00 0.00 175.76 176.37 3hqp s MET 396 N -3.83 0.66 -0.10 0.00 1.75 -0.51 -2.75 119.30 114.51 3hqp s MET 396 Ca 0.06 -0.29 0.03 0.00 -1.25 0.00 0.00 55.69 54.24 3hqp s MET 396 Cb -0.02 -0.63 0.01 0.00 2.84 0.00 0.00 34.83 37.02 3hqp s MET 396 CO -0.05 0.17 -0.21 0.08 -0.65 0.00 0.00 175.02 174.37 3hqp s VAL 397 N -0.18 1.84 -0.07 10.11 1.01 0.15 0.38 120.40 133.65 3hqp s VAL 397 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3hqp s VAL 397 Cb -0.03 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3hqp s VAL 397 CO -0.00 0.51 -0.09 0.54 0.00 0.00 0.00 175.10 176.06 3hqp s VAL 398 N 0.58 0.92 -0.26 2.92 0.11 -0.40 -0.08 120.40 124.19 3hqp s VAL 398 Ca -0.14 -0.33 -0.24 0.00 -2.93 0.00 0.00 61.98 58.33 3hqp s VAL 398 Cb -0.17 -0.88 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3hqp s VAL 398 CO 0.04 0.31 0.83 -0.76 -3.33 0.00 0.00 175.10 172.20 3hqp s LEU 399 N 0.91 4.07 -0.11 2.54 1.43 -0.93 -1.41 118.68 125.18 3hqp s LEU 399 Ca -0.11 0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 53.90 3hqp s LEU 399 Cb -0.15 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 42.95 3hqp s LEU 399 CO 0.01 -0.55 0.23 -0.55 0.23 0.00 0.00 176.35 175.72 3hqp s SER 400 N 1.42 0.25 -0.17 2.29 0.15 -0.86 -4.86 113.70 111.92 3hqp s SER 400 Ca 0.35 0.52 -0.15 0.00 0.70 0.00 0.00 55.95 57.36 3hqp s SER 400 Cb -0.15 0.53 -0.22 0.00 -1.71 0.00 0.00 66.02 64.47 3hqp s SER 400 CO 0.09 -0.22 0.30 0.78 1.20 0.00 0.00 173.24 175.39 3hqp h ASN 401 N 7.98 0.19 1.40 5.45 4.21 -1.96 -3.37 115.58 129.48 3hqp h ASN 401 Ca -0.22 -0.70 0.00 0.00 1.21 0.00 0.00 56.30 56.59 3hqp h ASN 401 Cb 1.13 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 3hqp h ASN 401 CO 0.21 1.65 -0.30 0.71 -1.29 0.00 0.00 177.43 178.40 3hqp h THR 402 N -0.54 0.00 0.00 2.81 1.35 -1.99 -3.42 112.91 111.12 3hqp h THR 402 Ca -0.38 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3hqp h THR 402 Cb 1.62 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 3hqp h THR 402 CO -0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.80 3hqp n GLY 403 N 1.24 1.77 0.26 5.82 0.00 -1.26 -4.93 105.19 108.09 3hqp n GLY 403 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3hqp n GLY 403 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hqp h ARG 404 N 3.36 -0.26 -0.23 1.61 3.08 -1.92 -2.47 114.38 117.56 3hqp h ARG 404 Ca 0.00 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3hqp h ARG 404 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hqp h ARG 404 CO 0.00 -0.17 -0.10 0.77 -1.07 0.00 0.00 179.97 179.40 3hqp h SER 405 N -0.27 0.35 -0.21 7.04 0.02 -1.94 -0.78 113.55 117.76 3hqp h SER 405 Ca 0.11 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3hqp h SER 405 Cb 0.43 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3hqp h SER 405 CO -0.31 0.49 0.01 0.00 -1.14 0.00 0.00 176.83 175.88 3hqp h ALA 406 N 1.55 0.29 0.00 3.77 0.00 -1.85 -0.13 119.26 122.89 3hqp h ALA 406 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hqp h ALA 406 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hqp h ALA 406 CO 0.02 -0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.93 3hqp h ARG 407 N 0.14 0.00 -0.36 0.00 3.08 -1.16 -0.57 114.38 115.51 3hqp h ARG 407 Ca 0.06 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 3hqp h ARG 407 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3hqp h ARG 407 CO 0.01 0.34 -0.42 1.25 -1.07 0.00 0.00 179.97 180.07 3hqp h LEU 408 N 0.00 0.99 -0.16 3.04 5.85 -0.87 -0.64 115.31 123.52 3hqp h LEU 408 Ca -0.00 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 3hqp h LEU 408 Cb 0.62 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3hqp h LEU 408 CO 0.04 1.28 -0.10 0.58 -0.34 0.00 0.00 178.44 179.90 3hqp h VAL 409 N 0.74 1.32 -0.46 1.05 2.07 -0.82 -3.26 116.25 116.88 3hqp h VAL 409 Ca 0.05 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3hqp h VAL 409 Cb 1.02 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3hqp h VAL 409 CO 0.10 0.35 0.27 0.00 0.02 0.00 0.00 177.57 178.31 3hqp h ALA 410 N 0.66 1.60 -1.10 1.67 0.00 -1.08 -1.59 119.26 119.41 3hqp h ALA 410 Ca 0.03 -0.06 0.39 0.00 0.00 0.00 0.00 54.91 55.27 3hqp h ALA 410 Cb 0.59 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.04 3hqp h ALA 410 CO 0.03 0.35 0.65 -0.22 0.00 0.00 0.00 179.25 180.05 3hqp h LYS 411 N 0.64 0.14 -0.05 0.00 3.64 -1.15 -1.49 116.57 118.29 3hqp h LYS 411 Ca 0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3hqp h LYS 411 Cb -0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3hqp h LYS 411 CO -0.03 0.09 0.00 0.66 -2.27 0.00 0.00 179.45 177.90 3hqp n TYR 412 N -5.00 0.05 -3.35 1.91 4.01 -0.60 -4.98 117.16 109.19 3hqp n TYR 412 Ca 0.35 -0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.97 3hqp n TYR 412 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.25 3hqp n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hqp n ARG 413 N 0.60 -1.41 -1.10 -0.72 5.12 -0.56 -4.24 116.66 114.35 3hqp n ARG 413 Ca 0.17 1.20 -0.29 0.00 -1.93 0.00 0.00 57.85 57.00 3hqp n ARG 413 Cb 0.44 -4.39 0.18 0.00 -1.16 0.00 0.00 32.46 27.53 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 -3.79 0.32 -0.36 5.56 0.04 -1.26 -4.51 135.00 130.99 3hqp s PRO 414 Ca 0.00 0.57 0.07 0.00 0.04 0.00 0.00 61.00 61.69 3hqp s PRO 414 Cb -0.00 -1.72 0.63 0.00 0.04 0.00 0.00 34.50 33.44 3hqp s PRO 414 CO 0.81 -2.82 1.73 0.27 0.04 0.00 0.00 177.00 177.03 3hqp n ASN 415 N -4.24 3.54 -4.15 6.66 6.94 -1.26 -4.93 115.26 117.81 3hqp n ASN 415 Ca 0.05 -3.57 -0.10 0.00 -0.02 0.00 0.00 54.58 50.95 3hqp n ASN 415 Cb 0.57 -0.74 -0.10 0.00 -2.36 0.00 0.00 39.78 37.14 3hqp n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqp s PRO 417 N -4.03 4.06 -0.27 0.00 0.02 -1.26 -4.87 135.00 128.66 3hqp s PRO 417 Ca 0.23 1.93 -0.12 0.00 0.02 0.00 0.00 61.00 63.06 3hqp s PRO 417 Cb 0.07 -2.73 -0.05 0.00 0.02 0.00 0.00 34.50 31.82 3hqp s PRO 417 CO 0.01 -0.34 0.22 0.42 -0.33 0.00 0.00 177.00 176.98 3hqp s ILE 418 N -1.35 5.29 -0.35 2.83 1.01 -0.73 -1.42 121.20 126.47 3hqp s ILE 418 Ca 0.56 0.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.35 3hqp s ILE 418 Cb -0.33 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 3hqp s ILE 418 CO 0.42 0.25 0.23 -0.69 0.00 0.00 0.00 174.94 175.15 3hqp s VAL 419 N 1.69 5.09 -0.26 2.92 1.01 0.16 -1.11 120.40 129.91 3hqp s VAL 419 Ca 0.09 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3hqp s VAL 419 Cb -0.16 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3hqp s VAL 419 CO 0.10 -0.08 0.26 0.00 0.00 0.00 0.00 175.10 175.38 3hqp s VAL 421 N 1.60 5.28 0.11 0.00 1.01 -0.50 0.50 120.40 128.40 3hqp s VAL 421 Ca 0.11 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3hqp s VAL 421 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3hqp s VAL 421 CO 0.09 0.20 -0.13 0.28 0.00 0.00 0.00 175.10 175.54 3hqp s THR 422 N 1.81 1.19 -2.08 3.92 -1.32 -0.02 -2.02 115.64 117.12 3hqp s THR 422 Ca 0.08 -1.67 0.23 0.00 -1.21 0.00 0.00 61.69 59.12 3hqp s THR 422 Cb -0.16 -1.45 0.62 0.00 -1.51 0.00 0.00 72.50 70.00 3hqp s THR 422 CO 0.11 -0.45 1.52 0.35 -2.21 0.00 0.00 174.62 173.94 3hqp n THR 423 N 0.58 0.92 -4.16 5.08 -2.24 -1.26 -0.27 114.28 112.92 3hqp n THR 423 Ca -0.16 -0.95 -0.25 0.00 -2.27 0.00 0.00 64.05 60.42 3hqp n THR 423 Cb 0.57 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.08 1.39 0.21 -0.78 0.52 -1.26 -4.74 118.95 113.20 3hqp s ARG 424 Ca 0.48 -0.25 -0.09 0.00 -0.52 0.00 0.00 55.73 55.35 3hqp s ARG 424 Cb 0.25 -1.35 0.20 0.00 0.52 0.00 0.00 34.95 34.58 3hqp s ARG 424 CO 0.33 -0.14 1.86 -0.07 0.02 0.00 0.00 175.30 177.30 3hqp h LEU 425 N 7.63 0.77 -0.92 2.53 4.07 -1.96 -2.70 115.31 124.73 3hqp h LEU 425 Ca -0.31 -0.00 0.06 0.00 0.08 0.00 0.00 57.88 57.71 3hqp h LEU 425 Cb 1.15 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.66 3hqp h LEU 425 CO 0.43 0.53 0.58 -0.61 -1.08 0.00 0.00 178.44 178.29 3hqp h GLN 426 N 0.91 1.05 -0.22 1.13 4.15 -1.97 -1.20 115.11 118.96 3hqp h GLN 426 Ca 0.29 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.68 3hqp h GLN 426 Cb 0.01 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 3hqp h GLN 426 CO -0.11 0.70 0.06 1.15 -1.93 0.00 0.00 178.83 178.70 3hqp h THR 427 N 1.08 0.92 -0.60 2.39 2.02 -1.79 0.70 112.91 117.63 3hqp h THR 427 Ca 0.39 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 67.64 3hqp h THR 427 Cb 0.13 0.75 -0.11 0.00 -1.74 0.00 0.00 68.15 67.18 3hqp h THR 427 CO -0.16 0.03 -0.09 0.00 0.37 0.00 0.00 175.52 175.67 3hqp h ARG 429 N 0.04 0.15 -0.07 0.00 3.08 -0.38 -3.22 114.38 113.98 3hqp h ARG 429 Ca 0.30 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 3hqp h ARG 429 Cb 0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3hqp h ARG 429 CO -0.58 0.36 -0.18 1.96 -1.07 0.00 0.00 179.97 180.46 3hqp h GLN 430 N -0.09 0.11 0.00 0.04 4.20 0.84 -1.29 115.11 118.92 3hqp h GLN 430 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hqp h GLN 430 Cb 0.28 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3hqp h GLN 430 CO 0.00 0.29 0.00 1.28 -0.67 0.00 0.00 178.83 179.73 3hqp n LEU 431 N -4.28 0.00 0.00 1.46 4.77 -0.19 -3.35 117.00 115.41 3hqp n LEU 431 Ca -0.02 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 3hqp n LEU 431 Cb 0.27 -0.07 0.41 0.00 -2.33 0.00 0.00 43.42 41.70 3hqp n LEU 431 CO 0.37 -0.02 0.80 0.59 -1.33 0.00 0.00 177.39 177.80 3hqp n ASN 432 N -1.07 0.00 -1.27 -1.43 4.13 -0.49 -1.57 115.26 113.56 3hqp n ASN 432 Ca 0.14 0.45 0.12 0.00 1.68 0.00 0.00 54.58 56.97 3hqp n ASN 432 Cb 0.09 -0.48 0.28 0.00 -1.54 0.00 0.00 39.78 38.14 3hqp n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3hqp n ILE 433 N -1.48 0.80 -3.82 2.41 -5.35 -1.21 -4.74 119.36 105.97 3hqp n ILE 433 Ca 0.05 -0.90 -0.36 0.00 -0.27 0.00 0.00 62.75 61.27 3hqp n ILE 433 Cb 0.21 0.70 -0.13 0.00 -1.74 0.00 0.00 39.64 38.68 3hqp n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3hqp s THR 434 N -1.19 4.06 0.34 7.28 2.01 -0.61 -4.59 115.64 122.94 3hqp s THR 434 Ca 0.45 -0.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.91 3hqp s THR 434 Cb 0.24 -2.88 -0.12 0.00 0.01 0.00 0.00 72.50 69.75 3hqp s THR 434 CO 0.33 0.37 1.21 1.67 -0.69 0.00 0.00 174.62 177.51 3hqp n GLN 435 N 4.82 1.90 -0.91 4.92 0.00 -1.26 -3.57 117.38 123.28 3hqp n GLN 435 Ca -0.17 0.67 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 3hqp n GLN 435 Cb 0.51 -2.22 0.00 0.00 0.00 0.00 0.00 30.24 28.54 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 0.89 0.39 3.49 1.69 0.00 0.61 -4.88 105.19 107.38 3hqp n GLY 436 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.28 -0.03 1.61 1.01 -1.23 -1.78 120.40 121.26 3hqp s VAL 437 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3hqp s VAL 437 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3hqp s VAL 437 CO 0.00 0.58 -0.17 -1.61 0.00 0.00 0.00 175.10 173.90 3hqp s GLU 438 N -0.50 1.63 -0.01 2.72 2.02 -0.27 -4.95 118.70 119.34 3hqp s GLU 438 Ca 0.07 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.47 3hqp s GLU 438 Cb -0.12 -1.47 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 3hqp s GLU 438 CO 0.02 0.29 -0.03 -1.12 0.02 0.00 0.00 175.26 174.44 3hqp s SER 439 N -0.12 4.90 -0.11 -0.19 0.01 -1.26 -0.11 113.70 116.82 3hqp s SER 439 Ca 0.00 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.23 3hqp s SER 439 Cb -0.10 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 64.91 3hqp s SER 439 CO 0.01 0.29 -0.19 -0.69 0.41 0.00 0.00 173.24 173.07 3hqp s VAL 440 N -1.02 1.76 -0.21 3.43 1.01 0.18 -4.92 120.40 120.62 3hqp s VAL 440 Ca 0.18 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 3hqp s VAL 440 Cb -0.11 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3hqp s VAL 440 CO 0.08 0.49 0.66 0.12 0.00 0.00 0.00 175.10 176.45 3hqp s PHE 441 N 0.71 3.35 -0.33 5.22 5.36 -1.26 -0.84 117.98 130.19 3hqp s PHE 441 Ca -0.11 0.94 -0.08 0.00 -0.96 0.00 0.00 56.93 56.72 3hqp s PHE 441 Cb -0.16 -2.84 0.02 0.00 -0.34 0.00 0.00 43.02 39.70 3hqp s PHE 441 CO 0.02 -0.23 0.13 0.12 -1.46 0.00 0.00 175.22 173.80 3hqp s PHE 442 N 2.13 3.21 -0.91 10.12 5.36 0.62 -4.94 117.98 133.58 3hqp s PHE 442 Ca 0.29 -1.04 -0.24 0.00 -0.96 0.00 0.00 56.93 54.97 3hqp s PHE 442 Cb -0.16 -2.32 0.03 0.00 -0.34 0.00 0.00 43.02 40.23 3hqp s PHE 442 CO 0.10 -0.62 1.45 0.34 -1.46 0.00 0.00 175.22 175.03 3hqp s ASP 443 N 1.50 6.24 0.60 6.13 -1.08 -1.26 -4.27 116.67 124.53 3hqp s ASP 443 Ca 0.02 -1.01 0.38 0.00 -0.52 0.00 0.00 52.55 51.41 3hqp s ASP 443 Cb -0.18 -2.56 1.82 0.00 -1.46 0.00 0.00 42.92 40.53 3hqp s ASP 443 CO 0.04 -1.74 2.15 0.00 0.52 0.00 0.00 175.17 176.14 3hqp h ALA 444 N 10.19 1.02 -0.12 3.66 0.00 -1.85 0.97 119.26 133.12 3hqp h ALA 444 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3hqp h ALA 444 Cb 1.03 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hqp h ALA 444 CO 1.36 0.01 -0.80 -0.44 0.00 0.00 0.00 179.25 179.38 3hqp h ASP 445 N 0.00 0.85 0.59 0.00 3.32 -1.88 -1.08 116.42 118.22 3hqp h ASP 445 Ca -0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 57.03 56.43 3hqp h ASP 445 Cb 0.29 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hqp h ASP 445 CO 0.00 1.36 -1.45 2.29 -1.72 0.00 0.00 179.24 179.73 3hqp n LYS 446 N -3.90 0.63 -0.00 3.56 2.85 -1.12 -4.55 118.16 115.62 3hqp n LYS 446 Ca -0.07 0.03 0.07 0.00 -1.05 0.00 0.00 58.31 57.30 3hqp n LYS 446 Cb 0.76 -1.72 -0.11 0.00 -0.65 0.00 0.00 35.03 33.32 3hqp n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqp n LEU 447 N -2.59 0.27 0.00 -5.58 4.77 0.32 -5.11 117.00 109.08 3hqp n LEU 447 Ca -0.04 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 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 0.42 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3hqp n GLY 448 N 1.52 1.72 0.10 -0.72 0.00 -0.41 -4.80 105.19 102.60 3hqp n GLY 448 Ca -0.01 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.13 3hqp n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqp n HIS 449 N 1.40 0.88 -3.43 1.61 8.25 -1.26 -4.35 115.22 118.32 3hqp n HIS 449 Ca 0.00 0.26 -0.21 0.00 -0.26 0.00 0.00 57.72 57.50 3hqp n HIS 449 Cb 0.00 -0.92 0.06 0.00 1.12 0.00 0.00 29.99 30.25 3hqp n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hqp n ASP 450 N -2.22 -6.15 -0.23 0.41 2.03 -1.26 -4.90 116.55 104.23 3hqp n ASP 450 Ca 0.06 -0.81 0.05 0.00 0.52 0.00 0.00 54.79 54.60 3hqp n ASP 450 Cb 0.42 -4.43 0.30 0.00 -0.72 0.00 0.00 41.12 36.69 3hqp n ASP 450 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3hqp h GLU 451 N -1.35 0.86 -0.01 -0.67 4.39 -2.01 -2.51 114.58 113.28 3hqp h GLU 451 Ca -0.61 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.04 3hqp h GLU 451 Cb 1.32 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3hqp h GLU 451 CO 0.45 0.57 0.00 0.41 -1.16 0.00 0.00 179.01 179.28 3hqp n GLY 452 N -1.43 -0.58 4.07 -3.84 0.00 -1.26 -4.92 105.19 97.24 3hqp n GLY 452 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.51 0.00 -0.08 1.61 4.76 -0.95 -4.86 118.16 118.13 3hqp n LYS 453 Ca 0.22 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.56 3hqp n LYS 453 Cb 0.21 -3.05 0.04 0.00 -1.84 0.00 0.00 35.03 30.39 3hqp n LYS 453 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3hqp h GLU 454 N 0.90 0.79 -0.15 1.97 3.07 -1.92 -2.19 114.58 117.06 3hqp h GLU 454 Ca 0.00 -0.39 -0.02 0.00 -0.50 0.00 0.00 59.36 58.45 3hqp h GLU 454 Cb 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3hqp h GLU 454 CO 0.00 1.02 0.00 0.45 -1.40 0.00 0.00 179.01 179.08 3hqp h HIS 455 N 0.66 0.29 -0.51 4.33 3.86 -1.93 0.68 115.15 122.53 3hqp h HIS 455 Ca 0.06 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3hqp h HIS 455 Cb 0.90 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 3hqp h HIS 455 CO 0.05 0.49 0.31 0.00 0.86 0.00 0.00 177.93 179.63 3hqp h ARG 456 N 0.01 0.60 -0.55 2.45 3.08 -1.93 -0.64 114.38 117.39 3hqp h ARG 456 Ca 0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3hqp h ARG 456 Cb 0.37 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3hqp h ARG 456 CO 0.01 0.40 0.34 0.28 -1.07 0.00 0.00 179.97 179.92 3hqp h VAL 457 N 0.62 1.09 -0.96 2.04 2.07 -1.30 -1.18 116.25 118.63 3hqp h VAL 457 Ca 0.20 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3hqp h VAL 457 Cb 0.00 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3hqp h VAL 457 CO -0.08 0.12 0.63 0.00 0.02 0.00 0.00 177.57 178.26 3hqp h ALA 458 N 1.23 1.25 -0.12 1.67 0.00 -0.47 -1.49 119.26 121.33 3hqp h ALA 458 Ca 0.21 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3hqp h ALA 458 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3hqp h ALA 458 CO -0.08 0.53 -0.36 0.00 0.00 0.00 0.00 179.25 179.34 3hqp h ALA 459 N 1.38 1.16 -0.17 0.00 0.00 -0.73 -1.01 119.26 119.90 3hqp h ALA 459 Ca 0.37 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 459 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hqp h ALA 459 CO -0.11 0.56 -0.03 0.78 0.00 0.00 0.00 179.25 180.44 3hqp h GLY 460 N 1.14 0.34 0.98 0.00 0.00 -0.47 -2.38 103.07 102.69 3hqp h GLY 460 Ca 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 3hqp h GLY 460 CO 0.06 0.26 -0.07 -2.08 0.00 0.00 0.00 176.54 174.70 3hqp h VAL 461 N 0.03 1.27 -0.93 4.60 2.07 -1.24 -2.24 116.25 119.82 3hqp h VAL 461 Ca 0.04 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3hqp h VAL 461 Cb 0.46 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3hqp h VAL 461 CO 0.02 0.39 0.61 -0.08 0.02 0.00 0.00 177.57 178.52 3hqp h GLU 462 N 0.59 1.14 -0.42 1.57 4.57 -1.23 0.38 114.58 121.19 3hqp h GLU 462 Ca 0.11 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3hqp h GLU 462 Cb 0.59 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3hqp h GLU 462 CO 0.04 0.75 0.02 0.35 -1.18 0.00 0.00 179.01 178.99 3hqp h PHE 463 N 1.17 0.78 -0.23 0.92 3.57 -1.29 -0.95 116.94 120.91 3hqp h PHE 463 Ca 0.36 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3hqp h PHE 463 Cb -0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3hqp h PHE 463 CO -0.00 0.78 -0.14 0.00 -2.23 0.00 0.00 178.31 176.72 3hqp h ALA 464 N 0.90 1.32 -0.33 2.41 0.00 -0.92 -1.45 119.26 121.20 3hqp h ALA 464 Ca 0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3hqp h ALA 464 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hqp h ALA 464 CO 0.02 0.45 -0.15 0.87 0.00 0.00 0.00 179.25 180.44 3hqp h LYS 465 N 0.37 0.69 -0.25 0.00 1.79 -0.81 0.28 116.57 118.64 3hqp h LYS 465 Ca 0.07 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 58.17 3hqp h LYS 465 Cb 0.47 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3hqp h LYS 465 CO 0.03 0.89 -0.17 0.66 -1.08 0.00 0.00 179.45 179.78 3hqp h SER 466 N 0.46 0.42 0.74 0.86 4.64 -0.87 -1.41 113.55 118.38 3hqp h SER 466 Ca 0.07 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hqp h SER 466 Cb 0.69 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3hqp h SER 466 CO 0.05 0.61 -0.04 0.29 -0.87 0.00 0.00 176.83 176.86 3hqp n LYS 467 N -4.18 0.23 -1.33 4.77 4.76 -0.57 -4.92 118.16 116.91 3hqp n LYS 467 Ca 0.00 -0.02 -0.05 0.00 -2.87 0.00 0.00 58.31 55.36 3hqp n LYS 467 Cb 0.34 -1.50 -0.02 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 1.40 0.66 0.16 0.72 0.00 -0.53 -4.95 105.19 102.65 3hqp n GLY 468 Ca 0.10 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 0.60 -4.03 1.61 0.05 -0.68 -3.45 116.97 111.06 3hqp h TYR 469 Ca -0.11 -0.23 -0.63 0.00 0.05 0.00 0.00 58.73 57.81 3hqp h TYR 469 Cb 0.48 -0.10 -0.23 0.00 1.01 0.00 0.00 36.73 37.88 3hqp h TYR 469 CO 0.15 0.96 -0.85 0.14 -1.05 0.00 0.00 178.16 177.50 3hqp s VAL 470 N -3.90 1.94 0.35 -2.88 -7.23 -1.10 -4.70 120.40 102.88 3hqp s VAL 470 Ca -0.13 -1.52 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 3hqp s VAL 470 Cb 0.05 -1.72 -0.07 0.00 0.56 0.00 0.00 36.38 35.21 3hqp s VAL 470 CO 0.80 0.11 -0.07 -1.10 -0.31 0.00 0.00 175.10 174.53 3hqp s GLN 471 N -1.70 1.80 -0.08 4.82 -0.21 -1.26 -4.30 119.66 118.73 3hqp s GLN 471 Ca 0.10 -1.94 -0.40 0.00 0.02 0.00 0.00 55.36 53.13 3hqp s GLN 471 Cb -0.10 -1.60 -0.18 0.00 1.00 0.00 0.00 33.01 32.12 3hqp s GLN 471 CO 0.04 0.09 1.31 2.41 -2.12 0.00 0.00 175.29 177.02 3hqp n THR 472 N -0.79 0.03 -0.09 -0.19 -1.04 -1.25 -1.36 114.28 109.59 3hqp n THR 472 Ca -0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3hqp n THR 472 Cb 0.64 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 2.48 0.85 3.85 3.41 0.00 0.42 -4.99 105.19 111.20 3hqp n GLY 473 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.74 5.96 -0.01 1.61 1.01 -0.47 -4.80 116.67 117.25 3hqp s ASP 474 Ca 0.00 1.53 -0.12 0.00 0.71 0.00 0.00 52.55 54.67 3hqp s ASP 474 Cb 0.00 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 3hqp s ASP 474 CO 0.00 -1.05 0.35 -0.31 0.21 0.00 0.00 175.17 174.37 3hqp s TYR 475 N -3.03 3.67 -0.06 4.23 2.02 -1.26 -0.98 117.35 121.93 3hqp s TYR 475 Ca 0.57 0.85 0.01 0.00 -0.37 0.00 0.00 57.07 58.12 3hqp s TYR 475 Cb -0.12 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 3hqp s TYR 475 CO 0.51 0.64 -0.06 0.00 -1.57 0.00 0.00 175.55 175.07 3hqp s VAL 477 N 1.15 5.30 -0.11 0.00 1.01 -1.11 -0.30 120.40 126.33 3hqp s VAL 477 Ca -0.07 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3hqp s VAL 477 Cb -0.14 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3hqp s VAL 477 CO -0.01 0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.54 3hqp s VAL 478 N 0.88 1.77 -0.14 2.92 1.01 0.11 -0.68 120.40 126.28 3hqp s VAL 478 Ca 0.14 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3hqp s VAL 478 Cb -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3hqp s VAL 478 CO 0.05 0.50 -0.19 -0.63 0.00 0.00 0.00 175.10 174.82 3hqp s ILE 479 N 0.73 2.32 0.00 2.22 1.01 0.88 -1.08 121.20 127.28 3hqp s ILE 479 Ca -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3hqp s ILE 479 Cb -0.16 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3hqp s ILE 479 CO 0.02 0.54 0.00 0.00 0.00 0.00 0.00 174.94 175.49 3hqp n HIS 480 N 3.98 -0.25 -3.04 3.97 1.44 -0.96 -2.19 115.22 118.17 3hqp n HIS 480 Ca -0.19 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.29 3hqp n HIS 480 Cb 0.52 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.64 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 3.79 1.01 1.59 0.00 -1.26 -1.72 121.76 124.17 3hqp s ALA 481 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 3hqp s ALA 481 Cb 0.00 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 21.05 3hqp s ALA 481 CO 0.00 -0.33 0.16 -0.40 0.00 0.00 0.00 175.76 175.19 3hqp n ASP 482 N -2.03 -0.41 0.26 0.00 5.68 -1.26 -4.86 116.55 113.93 3hqp n ASP 482 Ca 0.01 -0.89 0.10 0.00 -0.50 0.00 0.00 54.79 53.51 3hqp n ASP 482 Cb 0.58 -0.13 0.70 0.00 -1.14 0.00 0.00 41.12 41.12 3hqp n ASP 482 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 3hqp h HIS 483 N -1.30 0.00 0.00 2.11 2.07 -1.97 -3.34 115.15 112.72 3hqp h HIS 483 Ca -0.05 0.00 -0.42 0.00 -2.85 0.00 0.00 60.37 57.04 3hqp h HIS 483 Cb 0.15 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.06 3hqp h HIS 483 CO 0.00 0.07 -2.50 1.17 -3.07 0.00 0.00 177.93 173.61 3hqp n LYS 484 N -4.14 0.61 -2.46 5.12 4.81 -1.26 -4.98 118.16 115.87 3hqp n LYS 484 Ca -0.03 0.20 -0.41 0.00 -0.87 0.00 0.00 58.31 57.21 3hqp n LYS 484 Cb 0.15 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.67 3hqp n LYS 484 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hqp s VAL 485 N -2.51 3.62 0.04 3.15 1.01 -1.26 -5.05 120.40 119.41 3hqp s VAL 485 Ca -0.36 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.16 3hqp s VAL 485 Cb 0.12 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3hqp s VAL 485 CO 0.53 0.29 -0.19 -0.54 0.00 0.00 0.00 175.10 175.20 3hqp s LYS 486 N -0.82 1.26 0.00 2.72 -0.14 -1.26 -4.68 119.74 116.82 3hqp s LYS 486 Ca 0.48 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 3hqp s LYS 486 Cb -0.31 -1.34 0.00 0.00 -1.68 0.00 0.00 37.83 34.49 3hqp s LYS 486 CO 0.38 0.34 0.00 0.41 -0.76 0.00 0.00 175.35 175.72 3hqp n GLY 487 N 1.86 2.78 3.82 -3.33 0.00 -1.26 -5.02 105.19 104.04 3hqp n GLY 487 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.63 -0.08 -0.19 1.61 -0.85 -1.26 -5.10 117.35 108.85 3hqp s TYR 488 Ca 0.00 -0.38 -0.17 0.00 -0.52 0.00 0.00 57.07 56.00 3hqp s TYR 488 Cb 0.00 0.72 -0.04 0.00 0.38 0.00 0.00 41.96 43.02 3hqp s TYR 488 CO 0.00 -1.16 0.45 0.00 -1.52 0.00 0.00 175.55 173.31 3hqp s ALA 489 N -3.20 3.54 -0.59 9.51 0.00 -1.26 -4.45 121.76 125.31 3hqp s ALA 489 Ca 0.13 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.71 3hqp s ALA 489 Cb -0.04 -2.70 0.10 0.00 0.00 0.00 0.00 23.12 20.48 3hqp s ALA 489 CO 0.06 -0.31 0.90 0.27 0.00 0.00 0.00 175.76 176.69 3hqp n ASN 490 N 4.48 1.97 -3.87 0.00 6.94 -1.10 -4.13 115.26 119.55 3hqp n ASN 490 Ca -0.07 -1.61 -0.13 0.00 -0.02 0.00 0.00 54.58 52.75 3hqp n ASN 490 Cb 0.51 -0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 37.73 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 -0.73 0.05 0.05 -3.83 0.74 -0.70 -4.90 119.66 110.34 3hqp s GLN 491 Ca 0.09 0.00 0.07 0.00 0.05 0.00 0.00 55.36 55.57 3hqp s GLN 491 Cb 0.05 -0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.05 3hqp s GLN 491 CO 0.08 -0.01 -0.20 0.95 -0.55 0.00 0.00 175.29 175.56 3hqp s THR 492 N 0.13 1.57 0.04 -0.34 -4.23 -1.26 -2.26 115.64 109.29 3hqp s THR 492 Ca -0.01 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3hqp s THR 492 Cb -0.02 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 3hqp s THR 492 CO -0.00 0.15 -0.04 0.00 -0.54 0.00 0.00 174.62 174.19 3hqp s ARG 493 N -1.22 0.48 -0.34 3.99 1.70 -0.24 -4.98 118.95 118.34 3hqp s ARG 493 Ca 0.06 -0.87 -0.07 0.00 -0.47 0.00 0.00 55.73 54.38 3hqp s ARG 493 Cb -0.09 0.04 0.03 0.00 -0.57 0.00 0.00 34.95 34.37 3hqp s ARG 493 CO 0.02 -0.05 0.12 0.42 -1.08 0.00 0.00 175.30 174.73 3hqp s ILE 494 N -2.33 3.97 -0.10 4.99 1.01 -1.26 -0.71 121.20 126.77 3hqp s ILE 494 Ca -0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 3hqp s ILE 494 Cb -0.04 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 3hqp s ILE 494 CO -0.04 -0.14 0.08 -0.76 0.00 0.00 0.00 174.94 174.09 3hqp s LEU 495 N 1.45 4.02 -0.34 2.97 1.43 0.59 -4.93 118.68 123.87 3hqp s LEU 495 Ca -0.00 0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 53.20 3hqp s LEU 495 Cb -0.19 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.05 3hqp s LEU 495 CO 0.03 0.39 0.68 -0.22 0.23 0.00 0.00 176.35 177.46 3hqp s LEU 496 N -1.03 4.19 0.35 1.79 2.96 -1.26 -0.68 118.68 125.00 3hqp s LEU 496 Ca 0.15 0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 54.10 3hqp s LEU 496 Cb -0.12 -2.86 -0.09 0.00 0.50 0.00 0.00 46.19 43.62 3hqp s LEU 496 CO 0.04 -0.59 1.09 0.68 -1.32 0.00 0.00 176.35 176.25 3hqp s VAL 497 N 2.78 3.53 -2.15 1.68 -7.23 -0.16 -4.89 120.40 113.95 3hqp s VAL 497 Ca 0.27 1.34 0.17 0.00 -1.81 0.00 0.00 61.98 61.95 3hqp s VAL 497 Cb -0.14 -3.78 0.14 0.00 0.56 0.00 0.00 36.38 33.16 3hqp s VAL 497 CO 0.14 0.17 1.04 -0.62 -0.31 0.00 0.00 175.10 175.53