#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqj n ASP 6 N 0.00 2.66 0.00 1.62 5.68 -1.26 -4.47 116.55 120.78 1gqj n ASP 6 Ca 0.00 -2.60 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 1gqj n ASP 6 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1gqj n ASP 6 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gqj n GLY 7 N -0.68 0.65 0.31 6.12 0.00 -1.26 -3.75 105.19 106.59 1gqj n GLY 7 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1gqj n GLY 7 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gqj h TYR 8 N 0.00 0.59 -0.00 1.61 3.20 -1.87 -2.30 116.97 118.20 1gqj h TYR 8 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1gqj h TYR 8 Cb 0.02 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1gqj h TYR 8 CO 0.01 0.40 -0.02 -0.25 -1.64 0.00 0.00 178.16 176.67 1gqj n ASP 9 N -4.44 0.04 0.00 -2.11 8.00 -1.26 -4.97 116.55 111.81 1gqj n ASP 9 Ca 0.04 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1gqj n ASP 9 Cb 0.08 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1gqj n ASP 9 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1gqj n MET 10 N -1.33 0.00 -0.11 -1.24 2.81 -0.87 -0.87 117.12 115.52 1gqj n MET 10 Ca 0.12 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.12 1gqj n MET 10 Cb 0.27 0.00 0.32 0.00 -0.71 0.00 0.00 33.22 33.11 1gqj n MET 10 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 1gqj n TRP 11 N 14.00 0.28 -2.64 2.03 2.14 -1.26 -4.39 117.44 127.60 1gqj n TRP 11 Ca 0.00 -0.14 -0.39 0.00 2.07 0.00 0.00 57.50 59.04 1gqj n TRP 11 Cb 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.51 1gqj n TRP 11 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1gqj n LEU 12 N 0.66 6.98 -4.49 5.67 4.77 -0.05 -4.67 117.00 125.88 1gqj n LEU 12 Ca 0.17 -5.40 -0.43 0.00 -0.03 0.00 0.00 56.01 50.32 1gqj n LEU 12 Cb 0.41 -1.08 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 1gqj n LEU 12 CO 0.14 2.08 0.30 -0.13 -1.33 0.00 0.00 177.39 178.44 1gqj s ARG 13 N -4.21 3.19 -1.02 3.23 0.52 -1.26 -4.88 118.95 114.51 1gqj s ARG 13 Ca 0.41 -0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 54.99 1gqj s ARG 13 Cb 0.22 -3.99 0.31 0.00 0.52 0.00 0.00 34.95 32.01 1gqj s ARG 13 CO -0.15 -1.02 1.60 0.66 0.02 0.00 0.00 175.30 176.41 1gqj n TYR 14 N 6.07 2.58 -3.69 -0.53 4.01 -1.26 -4.97 117.16 119.37 1gqj n TYR 14 Ca -0.04 -2.67 -0.31 0.00 -0.16 0.00 0.00 57.90 54.72 1gqj n TYR 14 Cb 0.47 -1.18 -0.04 0.00 -0.31 0.00 0.00 39.34 38.28 1gqj n TYR 14 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1gqj s GLN 15 N -3.51 3.59 0.34 -0.72 -0.21 -1.26 -3.72 119.66 114.17 1gqj s GLN 15 Ca 0.36 -0.15 -0.29 0.00 0.02 0.00 0.00 55.36 55.30 1gqj s GLN 15 Cb 0.12 -2.86 -0.12 0.00 1.00 0.00 0.00 33.01 31.16 1gqj s GLN 15 CO -0.01 0.46 1.41 -2.30 -2.12 0.00 0.00 175.29 172.73 1gqj n PRO 16 N -0.03 2.38 -1.74 2.91 -0.02 -1.02 -4.15 135.00 133.33 1gqj n PRO 16 Ca -0.03 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1gqj n PRO 16 Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1gqj n PRO 16 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1gqj s ILE 17 N -0.88 2.64 0.18 4.25 -1.09 -0.78 -4.89 121.20 120.62 1gqj s ILE 17 Ca 0.57 0.11 -0.06 0.00 -2.23 0.00 0.00 60.65 59.04 1gqj s ILE 17 Cb -0.53 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1gqj s ILE 17 CO 0.60 -0.00 1.51 0.00 -1.23 0.00 0.00 174.94 175.82 1gqj h ALA 18 N 8.71 0.68 -1.65 9.38 0.00 -1.93 -3.41 119.26 131.04 1gqj h ALA 18 Ca -0.46 -0.47 -0.55 0.00 0.00 0.00 0.00 54.91 53.43 1gqj h ALA 18 Cb 1.22 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1gqj h ALA 18 CO 0.95 0.67 1.16 0.34 0.00 0.00 0.00 179.25 182.37 1gqj s ASP 19 N -6.88 5.99 0.26 0.00 -1.08 -1.26 -4.88 116.67 108.81 1gqj s ASP 19 Ca -0.09 0.54 -0.05 0.00 -0.52 0.00 0.00 52.55 52.43 1gqj s ASP 19 Cb 0.11 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.33 1gqj s ASP 19 CO 0.85 -1.77 1.88 1.56 0.52 0.00 0.00 175.17 178.21 1gqj h GLN 20 N 11.90 1.16 -0.15 4.34 1.08 -2.00 0.03 115.11 131.47 1gqj h GLN 20 Ca -0.28 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 56.81 1gqj h GLN 20 Cb 1.12 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1gqj h GLN 20 CO 1.15 0.85 0.01 1.15 -0.95 0.00 0.00 178.83 181.04 1gqj h THR 21 N 1.16 0.91 -0.41 -0.54 2.02 -1.96 -2.32 112.91 111.77 1gqj h THR 21 Ca 0.29 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1gqj h THR 21 Cb 0.03 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1gqj h THR 21 CO -0.05 0.01 0.27 -0.07 0.37 0.00 0.00 175.52 176.06 1gqj h LEU 22 N 0.07 0.47 -0.60 2.58 3.38 -1.88 -2.71 115.31 116.61 1gqj h LEU 22 Ca 0.07 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1gqj h LEU 22 Cb 0.07 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 1gqj h LEU 22 CO -0.11 0.34 0.20 0.25 0.09 0.00 0.00 178.44 179.22 1gqj h LEU 23 N 0.56 0.16 -0.50 1.67 5.85 -0.82 -1.52 115.31 120.72 1gqj h LEU 23 Ca 0.15 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1gqj h LEU 23 Cb -0.06 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1gqj h LEU 23 CO -0.03 0.10 0.24 0.11 -0.34 0.00 0.00 178.44 178.51 1gqj h LYS 24 N 0.36 0.72 -0.54 1.25 1.57 -1.23 0.46 116.57 119.16 1gqj h LYS 24 Ca 0.31 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1gqj h LYS 24 Cb 0.41 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1gqj h LYS 24 CO -0.33 0.60 0.28 1.15 -0.57 0.00 0.00 179.45 180.58 1gqj h THR 25 N 0.66 0.97 -0.58 -0.16 2.02 -1.11 -0.54 112.91 114.17 1gqj h THR 25 Ca 0.17 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1gqj h THR 25 Cb 0.12 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1gqj h THR 25 CO -0.02 0.10 0.01 1.88 0.37 0.00 0.00 175.52 177.85 1gqj h TYR 26 N 0.55 1.11 -0.37 3.16 0.05 -0.75 -1.95 116.97 118.79 1gqj h TYR 26 Ca 0.24 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1gqj h TYR 26 Cb 0.13 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1gqj h TYR 26 CO -0.09 0.99 0.16 1.96 -1.05 0.00 0.00 178.16 180.13 1gqj h GLN 27 N 0.91 0.51 -0.01 4.88 4.20 -0.55 0.66 115.11 125.72 1gqj h GLN 27 Ca 0.17 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.62 1gqj h GLN 27 Cb 0.54 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1gqj h GLN 27 CO 0.03 0.41 -0.87 0.87 -0.67 0.00 0.00 178.83 178.60 1gqj h LYS 28 N 0.51 0.28 0.20 1.46 1.79 -0.91 -3.35 116.57 116.55 1gqj h LYS 28 Ca 0.13 -0.29 -0.32 0.00 -2.18 0.00 0.00 60.65 57.99 1gqj h LYS 28 Cb 0.09 0.08 0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1gqj h LYS 28 CO -0.02 0.99 -1.46 1.96 -1.08 0.00 0.00 179.45 179.85 1gqj h GLN 29 N 0.16 0.42 -4.30 3.15 4.20 -0.89 -3.42 115.11 114.44 1gqj h GLN 29 Ca -0.05 -0.72 -0.66 0.00 0.06 0.00 0.00 58.65 57.28 1gqj h GLN 29 Cb 1.49 0.27 -0.39 0.00 0.30 0.00 0.00 27.48 29.14 1gqj h GLN 29 CO 0.14 1.34 -0.66 0.42 -0.67 0.00 0.00 178.83 179.39 1gqj s ILE 30 N -2.61 2.55 -0.09 2.54 -1.09 0.18 -4.18 121.20 118.50 1gqj s ILE 30 Ca -0.08 -2.58 0.17 0.00 -2.23 0.00 0.00 60.65 55.93 1gqj s ILE 30 Cb 0.05 -2.82 -0.25 0.00 -1.58 0.00 0.00 42.46 37.86 1gqj s ILE 30 CO 0.91 -0.67 0.26 0.54 -1.23 0.00 0.00 174.94 174.74 1gqj n ARG 31 N 3.98 0.84 -4.14 2.79 1.74 0.13 -4.69 116.66 117.31 1gqj n ARG 31 Ca 0.04 -0.10 -0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1gqj n ARG 31 Cb 0.39 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 1gqj n ARG 31 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gqj s HIS 32 N -2.90 0.78 -0.22 -1.55 3.76 -1.01 -4.94 115.29 109.21 1gqj s HIS 32 Ca -0.07 -1.03 0.01 0.00 -0.15 0.00 0.00 55.06 53.81 1gqj s HIS 32 Cb 0.09 -0.48 0.05 0.00 1.11 0.00 0.00 32.58 33.35 1gqj s HIS 32 CO 0.73 -0.30 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.08 1gqj s LEU 33 N -3.01 2.42 -0.25 0.89 2.96 -1.26 0.02 118.68 120.44 1gqj s LEU 33 Ca 0.13 -1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 52.94 1gqj s LEU 33 Cb 0.07 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 1gqj s LEU 33 CO -0.05 -0.19 0.07 -2.28 -1.32 0.00 0.00 176.35 172.57 1gqj s HIS 34 N 1.40 3.08 -0.18 5.38 5.65 0.31 -1.57 115.29 129.37 1gqj s HIS 34 Ca -0.04 -0.42 -0.04 0.00 0.25 0.00 0.00 55.06 54.81 1gqj s HIS 34 Cb -0.18 -2.23 0.06 0.00 -1.18 0.00 0.00 32.58 29.06 1gqj s HIS 34 CO -0.07 -0.35 0.08 0.08 -0.65 0.00 0.00 174.74 173.83 1gqj s VAL 35 N 1.56 0.07 0.04 0.89 1.01 -0.68 -1.68 120.40 121.61 1gqj s VAL 35 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1gqj s VAL 35 Cb -0.15 -0.71 -0.27 0.00 0.00 0.00 0.00 36.38 35.24 1gqj s VAL 35 CO 0.03 -0.29 1.01 0.00 0.00 0.00 0.00 175.10 175.85 1gqj h ALA 36 N 8.37 0.22 -2.39 5.51 0.00 -1.82 -3.33 119.26 125.83 1gqj h ALA 36 Ca -0.15 -1.01 -0.48 0.00 0.00 0.00 0.00 54.91 53.26 1gqj h ALA 36 Cb 1.13 0.14 0.13 0.00 0.00 0.00 0.00 17.79 19.19 1gqj h ALA 36 CO 0.31 1.10 0.30 0.20 0.00 0.00 0.00 179.25 181.16 1gqj s GLY 37 N -4.81 1.62 0.00 0.00 0.00 -1.24 -4.99 107.32 97.89 1gqj s GLY 37 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1gqj s GLY 37 CO 0.86 0.29 0.77 2.09 0.00 0.00 0.00 173.10 177.11 1gqj n ASP 38 N -3.63 0.00 -4.75 1.64 5.68 -1.26 -4.78 116.55 109.45 1gqj n ASP 38 Ca 0.07 -1.57 -0.31 0.00 -0.50 0.00 0.00 54.79 52.47 1gqj n ASP 38 Cb 0.56 -0.11 0.10 0.00 -1.14 0.00 0.00 41.12 40.52 1gqj n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1gqj s SER 39 N -0.57 4.36 0.28 -1.12 1.04 -1.26 -4.74 113.70 111.69 1gqj s SER 39 Ca 0.00 1.92 0.02 0.00 0.48 0.00 0.00 55.95 58.37 1gqj s SER 39 Cb 0.00 -2.53 0.64 0.00 0.10 0.00 0.00 66.02 64.23 1gqj s SER 39 CO 0.00 -2.14 1.75 -0.65 0.98 0.00 0.00 173.24 173.18 1gqj h PRO 40 N -1.05 0.59 -0.38 4.02 0.11 -1.99 0.12 132.00 133.42 1gqj h PRO 40 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1gqj h PRO 40 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1gqj h PRO 40 CO 0.50 0.39 -0.07 1.15 -0.21 0.00 0.00 178.00 179.76 1gqj h THR 41 N 0.60 1.27 -0.45 -1.15 2.02 -1.92 -1.64 112.91 111.64 1gqj h THR 41 Ca 0.52 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 1gqj h THR 41 Cb 0.83 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1gqj h THR 41 CO -0.41 0.38 0.02 0.40 0.37 0.00 0.00 175.52 176.28 1gqj h ILE 42 N 0.53 1.26 -0.96 3.11 1.08 -1.75 -1.72 117.51 119.06 1gqj h ILE 42 Ca 0.10 -1.00 0.10 0.00 -0.39 0.00 0.00 64.86 63.67 1gqj h ILE 42 Cb 0.57 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 35.28 1gqj h ILE 42 CO 0.03 0.35 0.62 0.78 -0.69 0.00 0.00 178.15 179.23 1gqj h ASN 43 N 0.62 0.90 -0.13 1.72 2.35 -0.72 0.78 115.58 121.11 1gqj h ASN 43 Ca 0.13 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1gqj h ASN 43 Cb 0.46 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1gqj h ASN 43 CO 0.02 0.51 -0.27 0.00 -1.65 0.00 0.00 177.43 176.04 1gqj h ALA 44 N 1.53 0.98 -0.24 -0.83 0.00 -0.92 0.71 119.26 120.50 1gqj h ALA 44 Ca 0.45 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1gqj h ALA 44 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1gqj h ALA 44 CO -0.21 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 1gqj h ALA 45 N 1.19 0.33 -0.60 0.00 0.00 -0.50 -1.24 119.26 118.45 1gqj h ALA 45 Ca 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1gqj h ALA 45 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1gqj h ALA 45 CO 0.06 0.18 0.26 0.00 0.00 0.00 0.00 179.25 179.75 1gqj h ALA 46 N 0.72 0.77 -0.81 0.00 0.00 -0.72 -0.29 119.26 118.93 1gqj h ALA 46 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gqj h ALA 46 Cb 0.61 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1gqj h ALA 46 CO 0.03 0.37 0.47 0.00 0.00 0.00 0.00 179.25 180.12 1gqj h ALA 47 N 1.10 1.04 -0.13 0.00 0.00 -0.80 0.81 119.26 121.28 1gqj h ALA 47 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1gqj h ALA 47 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gqj h ALA 47 CO -0.02 0.53 0.02 1.49 0.00 0.00 0.00 179.25 181.27 1gqj h GLU 48 N 1.13 0.22 -0.81 0.00 4.57 -0.77 -2.02 114.58 116.90 1gqj h GLU 48 Ca 0.29 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1gqj h GLU 48 Cb -0.00 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1gqj h GLU 48 CO -0.05 0.42 0.44 -0.07 -1.18 0.00 0.00 179.01 178.57 1gqj h LEU 49 N -0.01 1.01 0.36 1.64 3.38 -0.93 0.24 115.31 121.00 1gqj h LEU 49 Ca 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1gqj h LEU 49 Cb 0.31 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gqj h LEU 49 CO 0.00 0.83 -0.17 -0.61 0.09 0.00 0.00 178.44 178.58 1gqj h GLN 50 N 1.12 -0.46 -0.44 1.13 4.15 -0.70 0.55 115.11 120.46 1gqj h GLN 50 Ca 0.28 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.66 1gqj h GLN 50 Cb 0.04 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1gqj h GLN 50 CO -0.04 -0.30 0.00 0.07 -1.93 0.00 0.00 178.83 176.62 1gqj h ARG 51 N -0.49 0.77 0.37 1.69 0.11 -1.33 -1.92 114.38 113.58 1gqj h ARG 51 Ca -0.05 -0.25 -0.02 0.00 0.10 0.00 0.00 59.98 59.77 1gqj h ARG 51 Cb 0.38 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1gqj h ARG 51 CO 0.08 0.84 -0.18 0.78 0.10 0.00 0.00 179.97 181.59 1gqj h GLY 52 N 0.62 -0.52 0.97 0.08 0.00 -0.37 -2.14 103.07 101.71 1gqj h GLY 52 Ca 0.12 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1gqj h GLY 52 CO 0.02 -0.19 0.41 1.41 0.00 0.00 0.00 176.54 178.20 1gqj h LEU 53 N -0.74 0.71 -0.76 3.11 3.38 -0.01 -1.53 115.31 119.47 1gqj h LEU 53 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1gqj h LEU 53 Cb 0.51 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1gqj h LEU 53 CO 0.08 0.51 0.50 0.28 0.09 0.00 0.00 178.44 179.90 1gqj h SER 54 N 0.84 0.85 0.02 -0.43 0.02 -1.37 0.95 113.55 114.43 1gqj h SER 54 Ca 0.24 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1gqj h SER 54 Cb -0.07 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1gqj h SER 54 CO -0.07 0.61 -0.01 1.23 -1.14 0.00 0.00 176.83 177.45 1gqj h GLY 55 N 1.00 -0.03 1.49 -3.77 0.00 -1.28 -1.82 103.07 98.66 1gqj h GLY 55 Ca 0.29 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 1gqj h GLY 55 CO -0.08 -0.01 -0.08 1.41 0.00 0.00 0.00 176.54 177.79 1gqj h LEU 56 N -0.56 0.60 -1.08 3.11 3.38 -1.20 -2.68 115.31 116.88 1gqj h LEU 56 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1gqj h LEU 56 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gqj h LEU 56 CO 0.01 0.72 -0.23 0.18 0.09 0.00 0.00 178.44 179.20 1gqj n LEU 57 N -4.21 1.91 -3.79 1.67 4.32 0.32 -1.87 117.00 115.35 1gqj n LEU 57 Ca 0.01 -0.65 -0.26 0.00 -0.02 0.00 0.00 56.01 55.09 1gqj n LEU 57 Cb 0.32 -0.03 0.04 0.00 -1.62 0.00 0.00 43.42 42.12 1gqj n LEU 57 CO 0.41 0.34 0.08 -3.20 -1.22 0.00 0.00 177.39 173.79 1gqj n ASN 58 N 0.17 -3.83 -3.54 -1.43 5.15 -0.71 -4.94 115.26 106.13 1gqj n ASN 58 Ca 0.13 -0.75 -0.16 0.00 -0.60 0.00 0.00 54.58 53.20 1gqj n ASN 58 Cb 0.45 -4.13 -0.06 0.00 -0.53 0.00 0.00 39.78 35.51 1gqj n ASN 58 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1gqj s LYS 59 N -6.34 0.91 -0.16 1.20 -2.85 -1.07 -5.07 119.74 106.35 1gqj s LYS 59 Ca 0.43 0.27 -0.29 0.00 -1.00 0.00 0.00 55.97 55.38 1gqj s LYS 59 Cb -0.21 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1gqj s LYS 59 CO 0.81 -0.27 1.62 -1.25 0.10 0.00 0.00 175.35 176.35 1gqj s PRO 60 N -1.07 3.94 -0.20 1.78 0.04 -1.26 -4.27 135.00 133.95 1gqj s PRO 60 Ca -0.08 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1gqj s PRO 60 Cb -0.00 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.53 1gqj s PRO 60 CO 0.07 -1.13 -0.13 0.42 0.04 0.00 0.00 177.00 176.28 1gqj s ILE 61 N 4.77 2.68 -0.10 0.56 -1.09 -1.26 -5.02 121.20 121.74 1gqj s ILE 61 Ca 0.71 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1gqj s ILE 61 Cb -0.28 -2.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 1gqj s ILE 61 CO 0.28 0.48 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.57 1gqj s VAL 62 N 1.38 2.32 0.14 2.92 1.01 -1.26 -4.67 120.40 122.24 1gqj s VAL 62 Ca 0.05 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.78 1gqj s VAL 62 Cb -0.14 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1gqj s VAL 62 CO -0.08 0.55 1.48 0.00 0.00 0.00 0.00 175.10 177.05 1gqj s ALA 63 N 0.23 3.69 0.02 5.51 0.00 -1.26 -4.24 121.76 125.71 1gqj s ALA 63 Ca -0.14 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1gqj s ALA 63 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 1gqj s ALA 63 CO 0.07 -0.70 0.08 1.03 0.00 0.00 0.00 175.76 176.24 1gqj s ARG 64 N 1.09 0.50 -0.41 0.00 0.52 -0.61 -4.98 118.95 115.06 1gqj s ARG 64 Ca 0.67 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1gqj s ARG 64 Cb -0.40 0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.37 1gqj s ARG 64 CO 0.31 -0.12 0.21 0.34 0.02 0.00 0.00 175.30 176.06 1gqj s ASP 65 N -1.81 5.29 0.29 0.23 2.15 -1.25 -1.69 116.67 119.87 1gqj s ASP 65 Ca -0.10 -2.00 -0.04 0.00 0.43 0.00 0.00 52.55 50.84 1gqj s ASP 65 Cb -0.04 -1.84 -0.01 0.00 -0.30 0.00 0.00 42.92 40.72 1gqj s ASP 65 CO -0.02 -0.55 0.40 -1.83 -0.17 0.00 0.00 175.17 173.00 1gqj s GLU 66 N 1.17 1.67 0.07 4.34 -1.05 -1.26 -5.05 118.70 118.58 1gqj s GLU 66 Ca 0.08 -1.61 -0.36 0.00 -0.15 0.00 0.00 54.97 52.93 1gqj s GLU 66 Cb -0.23 0.41 -0.15 0.00 -0.44 0.00 0.00 34.13 33.72 1gqj s GLU 66 CO -0.04 -0.67 1.53 1.17 0.95 0.00 0.00 175.26 178.21 1gqj n LYS 67 N -0.46 1.68 -1.65 -4.83 4.81 -1.26 -4.82 118.16 111.63 1gqj n LYS 67 Ca 0.01 0.61 -0.47 0.00 -0.87 0.00 0.00 58.31 57.59 1gqj n LYS 67 Cb 0.62 -2.33 -0.04 0.00 0.02 0.00 0.00 35.03 33.30 1gqj n LYS 67 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1gqj n LEU 68 N 3.59 2.72 -4.81 3.14 7.94 -1.26 -4.99 117.00 123.33 1gqj n LEU 68 Ca 0.19 1.10 -0.25 0.00 -1.11 0.00 0.00 56.01 55.94 1gqj n LEU 68 Cb 0.24 -1.37 -0.05 0.00 0.53 0.00 0.00 43.42 42.77 1gqj n LEU 68 CO 0.66 -0.53 -0.20 -0.54 -1.11 0.00 0.00 177.39 175.67 1gqj s LYS 69 N 0.53 2.95 0.33 1.96 1.02 -1.26 -5.07 119.74 120.19 1gqj s LYS 69 Ca 0.78 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 55.59 1gqj s LYS 69 Cb -0.74 -2.65 -0.11 0.00 -0.52 0.00 0.00 37.83 33.81 1gqj s LYS 69 CO 0.42 0.47 1.42 0.34 -0.92 0.00 0.00 175.35 177.08 1gqj s ASP 70 N -3.26 6.57 -0.82 2.83 2.15 -1.26 -3.76 116.67 119.11 1gqj s ASP 70 Ca 0.32 2.83 -0.04 0.00 0.43 0.00 0.00 52.55 56.09 1gqj s ASP 70 Cb -0.10 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 1gqj s ASP 70 CO 0.24 -0.71 0.71 -1.22 -0.17 0.00 0.00 175.17 174.02 1gqj n TYR 71 N 1.08 -1.85 -4.26 -5.34 4.01 0.12 -4.76 117.16 106.16 1gqj n TYR 71 Ca 0.02 0.67 -0.29 0.00 -0.16 0.00 0.00 57.90 58.14 1gqj n TYR 71 Cb 0.40 -3.86 -0.10 0.00 -0.31 0.00 0.00 39.34 35.47 1gqj n TYR 71 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gqj s SER 72 N -3.44 4.25 -0.25 7.72 0.01 -1.05 0.22 113.70 121.16 1gqj s SER 72 Ca 0.29 -0.48 -0.15 0.00 1.31 0.00 0.00 55.95 56.91 1gqj s SER 72 Cb -0.04 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1gqj s SER 72 CO 0.56 0.15 0.36 -0.22 0.41 0.00 0.00 173.24 174.51 1gqj s LEU 73 N -2.40 4.07 -0.17 2.44 2.96 0.10 -1.42 118.68 124.25 1gqj s LEU 73 Ca 0.22 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 1gqj s LEU 73 Cb -0.10 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 1gqj s LEU 73 CO 0.13 -0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.21 1gqj s VAL 74 N 1.84 2.85 0.12 1.68 1.01 0.54 -0.53 120.40 127.91 1gqj s VAL 74 Ca 0.15 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.54 1gqj s VAL 74 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1gqj s VAL 74 CO 0.09 0.49 -0.26 0.27 0.00 0.00 0.00 175.10 175.70 1gqj s ILE 75 N 1.01 2.14 -5.00 2.22 -4.36 -0.68 -0.96 121.20 115.58 1gqj s ILE 75 Ca -0.01 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1gqj s ILE 75 Cb -0.15 -1.89 0.00 0.00 1.25 0.00 0.00 42.46 41.67 1gqj s ILE 75 CO -0.02 0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1gqj n GLY 76 N 1.03 -1.08 3.72 6.27 0.00 -0.84 -4.32 105.19 109.97 1gqj n GLY 76 Ca -0.18 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 1gqj n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gqj s THR 77 N -2.17 3.08 0.45 2.61 -4.23 -1.26 -3.02 115.64 111.09 1gqj s THR 77 Ca 0.00 -1.74 0.18 0.00 -1.18 0.00 0.00 61.69 58.95 1gqj s THR 77 Cb 0.00 -2.96 0.37 0.00 1.34 0.00 0.00 72.50 71.25 1gqj s THR 77 CO 0.00 -0.21 1.93 -0.65 -0.54 0.00 0.00 174.62 175.15 1gqj h PRO 78 N 1.61 0.33 -0.02 3.99 0.11 -1.80 0.90 132.00 137.12 1gqj h PRO 78 Ca -0.44 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1gqj h PRO 78 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1gqj h PRO 78 CO 0.63 0.22 -0.54 -0.44 -0.21 0.00 0.00 178.00 177.66 1gqj h ASP 79 N 0.34 0.05 -0.00 -2.05 3.32 -1.92 -3.35 116.42 112.81 1gqj h ASP 79 Ca 0.36 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1gqj h ASP 79 Cb 0.91 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1gqj h ASP 79 CO -0.10 0.58 -0.33 -0.46 -1.72 0.00 0.00 179.24 177.21 1gqj n ASN 80 N -3.91 0.52 -3.63 6.45 0.23 -0.89 -4.93 115.26 109.10 1gqj n ASN 80 Ca -0.02 -0.76 -0.29 0.00 -0.53 0.00 0.00 54.58 52.98 1gqj n ASN 80 Cb 0.55 0.89 -0.14 0.00 -2.08 0.00 0.00 39.78 39.00 1gqj n ASN 80 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1gqj s SER 81 N -1.63 3.65 0.37 0.53 0.15 0.26 -3.67 113.70 113.36 1gqj s SER 81 Ca 0.04 -1.83 0.17 0.00 0.70 0.00 0.00 55.95 55.03 1gqj s SER 81 Cb 0.06 -0.68 1.08 0.00 -1.71 0.00 0.00 66.02 64.77 1gqj s SER 81 CO 0.30 -0.38 1.73 -0.65 1.20 0.00 0.00 173.24 175.44 1gqj h PRO 82 N 7.73 0.39 -0.46 5.44 0.11 -1.83 -0.14 132.00 143.23 1gqj h PRO 82 Ca -0.09 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1gqj h PRO 82 Cb 0.99 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1gqj h PRO 82 CO 0.43 0.26 0.29 -0.07 -0.21 0.00 0.00 178.00 178.70 1gqj h LEU 83 N 0.40 0.49 -0.47 2.35 3.38 -1.94 0.15 115.31 119.67 1gqj h LEU 83 Ca 0.66 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.58 1gqj h LEU 83 Cb 1.58 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1gqj h LEU 83 CO -0.41 0.35 0.13 0.40 0.09 0.00 0.00 178.44 179.00 1gqj h ILE 84 N 0.59 1.23 -0.78 1.22 1.08 -1.37 -2.93 117.51 116.55 1gqj h ILE 84 Ca 0.18 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1gqj h ILE 84 Cb -0.04 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1gqj h ILE 84 CO -0.06 0.28 0.45 0.00 -0.69 0.00 0.00 178.15 178.14 1gqj h ALA 85 N 0.99 1.32 0.00 1.87 0.00 -0.82 -2.74 119.26 119.87 1gqj h ALA 85 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gqj h ALA 85 Cb 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gqj h ALA 85 CO -0.00 0.57 0.00 0.66 0.00 0.00 0.00 179.25 180.48 1gqj h SER 86 N 1.08 0.00 1.00 0.00 4.64 -0.53 -1.53 113.55 118.21 1gqj h SER 86 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1gqj h SER 86 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1gqj h SER 86 CO -0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.09 1gqj n LEU 87 N -2.89 0.13 -3.88 5.97 4.77 -1.03 -4.95 117.00 115.12 1gqj n LEU 87 Ca -0.02 0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 56.09 1gqj n LEU 87 Cb 0.11 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1gqj n LEU 87 CO 0.19 -0.07 -0.13 0.59 -1.33 0.00 0.00 177.39 176.64 1gqj n ASN 88 N -1.63 -4.49 0.21 -1.43 4.13 -0.58 -4.88 115.26 106.60 1gqj n ASN 88 Ca 0.06 -1.15 0.06 0.00 1.68 0.00 0.00 54.58 55.24 1gqj n ASN 88 Cb 0.33 -2.58 0.48 0.00 -1.54 0.00 0.00 39.78 36.47 1gqj n ASN 88 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1gqj h LEU 89 N -2.23 0.00 0.00 3.41 3.38 -1.83 -3.47 115.31 114.57 1gqj h LEU 89 Ca -0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1gqj h LEU 89 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1gqj h LEU 89 CO 0.51 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1gqj n GLY 90 N -0.45 3.35 0.45 0.83 0.00 -1.26 -2.47 105.19 105.64 1gqj n GLY 90 Ca -0.02 0.10 0.26 0.00 0.00 0.00 0.00 46.02 46.37 1gqj n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gqj h GLU 91 N 0.00 0.18 -0.34 1.61 5.08 -1.99 -0.66 114.58 118.46 1gqj h GLU 91 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1gqj h GLU 91 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1gqj h GLU 91 CO 0.00 0.12 0.22 0.00 -1.00 0.00 0.00 179.01 178.35 1gqj h ARG 92 N 0.18 0.44 -0.02 2.33 3.08 -1.89 -2.40 114.38 116.10 1gqj h ARG 92 Ca 0.50 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 60.29 1gqj h ARG 92 Cb 1.65 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.61 1gqj h ARG 92 CO -0.11 0.29 -0.95 -0.07 -1.07 0.00 0.00 179.97 178.06 1gqj h LEU 93 N 0.45 0.73 -0.91 3.04 3.38 -1.31 -3.33 115.31 117.36 1gqj h LEU 93 Ca 0.12 -0.56 0.11 0.00 0.09 0.00 0.00 57.88 57.64 1gqj h LEU 93 Cb -0.05 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 1gqj h LEU 93 CO -0.03 1.36 0.55 1.56 0.09 0.00 0.00 178.44 181.96 1gqj h GLN 94 N 0.34 0.86 0.00 1.13 4.20 -1.08 -2.42 115.11 118.14 1gqj h GLN 94 Ca -0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1gqj h GLN 94 Cb 1.58 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.17 1gqj h GLN 94 CO 0.18 0.57 0.00 0.00 -0.67 0.00 0.00 178.83 178.90 1gqj h ALA 95 N 1.50 1.00 0.00 3.87 0.00 -1.54 -3.03 119.26 121.06 1gqj h ALA 95 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1gqj h ALA 95 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1gqj h ALA 95 CO -0.26 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 178.92 1gqj h LEU 96 N 0.00 0.00 0.00 0.00 3.38 -1.59 -3.48 115.31 113.62 1gqj h LEU 96 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqj h LEU 96 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1gqj h LEU 96 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1gqj n GLY 97 N 1.18 0.91 0.09 0.83 0.00 -1.15 -0.75 105.19 106.30 1gqj n GLY 97 Ca 0.05 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.54 1gqj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqj n ALA 98 N 5.07 2.63 -0.21 4.61 0.00 -1.26 -4.16 120.51 127.21 1gqj n ALA 98 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1gqj n ALA 98 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1gqj n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gqj n GLU 99 N -2.20 1.71 -1.80 0.00 1.02 -1.25 -4.44 120.64 113.68 1gqj n GLU 99 Ca 0.04 -0.16 -0.29 0.00 -0.02 0.00 0.00 57.16 56.74 1gqj n GLU 99 Cb 0.44 -0.56 0.12 0.00 -0.02 0.00 0.00 31.44 31.42 1gqj n GLU 99 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1gqj s GLY 100 N -0.29 1.62 0.18 0.62 0.00 0.07 -4.32 107.32 105.21 1gqj s GLY 100 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 1gqj s GLY 100 CO 0.00 -0.16 0.47 -2.52 0.00 0.00 0.00 173.10 170.89 1gqj s TYR 101 N -3.55 -0.02 -0.06 1.90 -0.85 -0.46 -4.38 117.35 109.93 1gqj s TYR 101 Ca 0.64 -0.33 0.04 0.00 -0.52 0.00 0.00 57.07 56.91 1gqj s TYR 101 Cb -0.11 0.29 -0.00 0.00 0.38 0.00 0.00 41.96 42.53 1gqj s TYR 101 CO 0.51 -0.86 -0.19 -1.17 -1.52 0.00 0.00 175.55 172.32 1gqj s LEU 102 N -2.89 1.92 -0.16 -3.49 2.96 0.13 -1.81 118.68 115.33 1gqj s LEU 102 Ca 0.10 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1gqj s LEU 102 Cb 0.00 -1.08 -0.00 0.00 0.50 0.00 0.00 46.19 45.61 1gqj s LEU 102 CO -0.03 0.15 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.26 1gqj s LEU 103 N 0.18 2.59 -0.25 -0.68 1.43 0.11 -0.96 118.68 121.10 1gqj s LEU 103 Ca -0.08 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 1gqj s LEU 103 Cb -0.14 -1.60 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1gqj s LEU 103 CO 0.04 0.08 0.61 -0.70 0.23 0.00 0.00 176.35 176.61 1gqj s GLU 104 N 0.87 0.61 -0.20 1.70 2.12 -1.08 -0.19 118.70 122.53 1gqj s GLU 104 Ca -0.04 1.14 -0.28 0.00 0.36 0.00 0.00 54.97 56.16 1gqj s GLU 104 Cb -0.15 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.41 1gqj s GLU 104 CO -0.00 -0.16 0.96 -1.14 -0.54 0.00 0.00 175.26 174.38 1gqj s GLN 105 N 1.73 4.29 0.00 4.30 0.74 -0.06 -1.04 119.66 129.61 1gqj s GLN 105 Ca -0.09 1.23 0.00 0.00 0.05 0.00 0.00 55.36 56.55 1gqj s GLN 105 Cb -0.07 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.43 1gqj s GLN 105 CO -0.18 -0.49 0.00 -2.37 -0.55 0.00 0.00 175.29 171.70 1gqj n THR 106 N 5.05 0.00 -4.33 -0.34 5.66 0.23 -4.76 114.28 115.79 1gqj n THR 106 Ca 0.09 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.91 1gqj n THR 106 Cb 0.47 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.11 1gqj n THR 106 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1gqj s ARG 107 N 1.01 0.71 -0.21 1.09 1.81 -1.26 -1.81 118.95 120.29 1gqj s ARG 107 Ca 0.00 -0.29 0.01 0.00 -1.72 0.00 0.00 55.73 53.73 1gqj s ARG 107 Cb 0.00 -0.68 0.04 0.00 -0.45 0.00 0.00 34.95 33.86 1gqj s ARG 107 CO 0.00 0.17 -0.12 0.42 -0.68 0.00 0.00 175.30 175.09 1gqj s ILE 108 N -0.13 1.84 -1.41 1.52 1.01 -0.89 -4.81 121.20 118.33 1gqj s ILE 108 Ca 0.02 -1.17 -0.07 0.00 0.00 0.00 0.00 60.65 59.43 1gqj s ILE 108 Cb -0.04 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1gqj s ILE 108 CO -0.00 0.17 0.33 -0.46 0.00 0.00 0.00 174.94 174.97 1gqj n ASN 109 N 4.61 -0.80 0.00 3.58 0.23 -1.26 -1.13 115.26 120.48 1gqj n ASN 109 Ca -0.15 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 1gqj n ASN 109 Cb 0.46 -2.34 0.00 0.00 -2.08 0.00 0.00 39.78 35.82 1gqj n ASN 109 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1gqj n LYS 110 N -4.54 0.00 -2.91 -3.83 4.81 -1.26 -4.98 118.16 105.44 1gqj n LYS 110 Ca -0.27 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.76 1gqj n LYS 110 Cb 0.67 -0.67 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1gqj n LYS 110 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1gqj s ARG 111 N -0.33 4.44 0.06 1.64 3.00 -0.29 -5.00 118.95 122.46 1gqj s ARG 111 Ca 0.00 1.07 -0.30 0.00 0.00 0.00 0.00 55.73 56.50 1gqj s ARG 111 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 34.95 31.39 1gqj s ARG 111 CO 0.00 -0.06 1.73 -1.01 0.00 0.00 0.00 175.30 175.96 1gqj s HIS 112 N 1.18 2.14 0.10 -0.53 3.76 -1.26 -2.10 115.29 118.58 1gqj s HIS 112 Ca 0.42 0.12 0.01 0.00 -0.15 0.00 0.00 55.06 55.46 1gqj s HIS 112 Cb -0.18 -4.04 -0.04 0.00 1.11 0.00 0.00 32.58 29.42 1gqj s HIS 112 CO 0.20 -4.31 -0.04 0.14 -0.85 0.00 0.00 174.74 169.88 1gqj s VAL 113 N 3.12 0.50 -0.14 -0.90 -7.23 -0.75 -0.70 120.40 114.30 1gqj s VAL 113 Ca 0.77 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1gqj s VAL 113 Cb -0.41 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1gqj s VAL 113 CO 0.34 -0.82 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.44 1gqj s VAL 114 N -3.75 1.80 -0.01 1.32 1.01 -0.51 -0.60 120.40 119.66 1gqj s VAL 114 Ca 0.13 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1gqj s VAL 114 Cb 0.06 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1gqj s VAL 114 CO -0.05 0.50 0.07 0.27 0.00 0.00 0.00 175.10 175.89 1gqj s ILE 115 N 1.04 4.65 -0.35 2.22 -4.36 -0.21 -0.34 121.20 123.85 1gqj s ILE 115 Ca -0.03 -0.43 -0.01 0.00 -0.26 0.00 0.00 60.65 59.92 1gqj s ILE 115 Cb -0.15 -3.12 0.09 0.00 1.25 0.00 0.00 42.46 40.54 1gqj s ILE 115 CO -0.05 0.36 0.09 -0.69 0.24 0.00 0.00 174.94 174.89 1gqj s VAL 116 N -1.17 2.91 0.08 8.37 1.01 -0.13 -2.62 120.40 128.85 1gqj s VAL 116 Ca 0.22 -1.89 0.09 0.00 0.00 0.00 0.00 61.98 60.40 1gqj s VAL 116 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1gqj s VAL 116 CO 0.13 -0.46 -0.24 0.00 0.00 0.00 0.00 175.10 174.54 1gqj s ALA 117 N 1.12 2.43 0.33 5.51 0.00 -0.14 -1.99 121.76 129.02 1gqj s ALA 117 Ca 0.04 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 1gqj s ALA 117 Cb -0.21 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1gqj s ALA 117 CO -0.04 0.55 0.72 0.00 0.00 0.00 0.00 175.76 176.99 1gqj s ALA 118 N -0.96 -0.79 0.03 0.00 0.00 -1.17 0.18 121.76 119.06 1gqj s ALA 118 Ca 0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1gqj s ALA 118 Cb -0.10 0.81 -0.27 0.00 0.00 0.00 0.00 23.12 23.56 1gqj s ALA 118 CO 0.05 -0.98 0.95 -0.91 0.00 0.00 0.00 175.76 174.87 1gqj h ASN 119 N 2.03 0.31 -1.90 0.00 2.35 -1.78 -3.38 115.58 113.22 1gqj h ASN 119 Ca -0.26 -0.41 -0.55 0.00 -0.55 0.00 0.00 56.30 54.53 1gqj h ASN 119 Cb 1.25 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.44 1gqj h ASN 119 CO 0.33 1.34 -0.55 -0.94 -1.65 0.00 0.00 177.43 175.96 1gqj s SER 120 N -6.90 4.62 0.24 5.81 1.04 -1.26 -4.85 113.70 112.40 1gqj s SER 120 Ca -0.06 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.53 1gqj s SER 120 Cb 0.07 -0.71 0.25 0.00 0.10 0.00 0.00 66.02 65.73 1gqj s SER 120 CO 0.85 -0.28 1.74 0.44 0.98 0.00 0.00 173.24 176.98 1gqj h ASP 121 N 1.59 0.90 -0.37 7.02 3.32 -1.91 -2.23 116.42 124.73 1gqj h ASP 121 Ca -0.44 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.34 1gqj h ASP 121 Cb 1.25 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1gqj h ASP 121 CO 0.64 0.91 -0.01 1.62 -1.72 0.00 0.00 179.24 180.68 1gqj h VAL 122 N 0.88 1.24 -0.70 -1.35 3.04 -1.93 -1.12 116.25 116.31 1gqj h VAL 122 Ca 0.18 -0.99 0.01 0.00 -1.01 0.00 0.00 66.70 64.88 1gqj h VAL 122 Cb 0.42 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 30.56 1gqj h VAL 122 CO 0.01 0.35 0.46 1.23 -1.01 0.00 0.00 177.57 178.61 1gqj h GLY 123 N 0.96 0.98 1.01 3.17 0.00 -1.70 0.20 103.07 107.69 1gqj h GLY 123 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1gqj h GLY 123 CO 0.02 0.36 0.39 -2.08 0.00 0.00 0.00 176.54 175.23 1gqj h VAL 124 N 0.95 1.22 0.00 4.60 2.07 -0.78 -0.29 116.25 124.01 1gqj h VAL 124 Ca 0.26 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1gqj h VAL 124 Cb -0.11 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1gqj h VAL 124 CO -0.06 0.24 -0.00 0.25 0.02 0.00 0.00 177.57 178.02 1gqj h LEU 125 N 0.97 -0.00 -0.85 2.57 5.85 -0.43 0.79 115.31 124.21 1gqj h LEU 125 Ca 0.25 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1gqj h LEU 125 Cb 0.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1gqj h LEU 125 CO -0.04 0.02 0.51 1.88 -0.34 0.00 0.00 178.44 180.47 1gqj h TYR 126 N -0.02 1.12 -0.47 1.25 0.05 -0.50 -1.86 116.97 116.54 1gqj h TYR 126 Ca -0.00 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 1gqj h TYR 126 Cb 0.02 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.37 1gqj h TYR 126 CO -0.07 0.75 0.03 0.78 -1.05 0.00 0.00 178.16 178.60 1gqj h GLY 127 N 1.17 0.80 0.94 3.88 0.00 -0.75 -1.94 103.07 107.17 1gqj h GLY 127 Ca 0.30 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1gqj h GLY 127 CO -0.06 0.47 0.17 1.76 0.00 0.00 0.00 176.54 178.88 1gqj h SER 128 N 0.71 0.50 -0.66 0.19 0.02 -0.39 0.43 113.55 114.35 1gqj h SER 128 Ca 0.15 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1gqj h SER 128 Cb 0.39 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1gqj h SER 128 CO 0.01 0.51 0.35 -0.26 -1.14 0.00 0.00 176.83 176.30 1gqj h PHE 129 N 0.47 0.94 -0.52 3.45 0.04 -1.22 -1.77 116.94 118.32 1gqj h PHE 129 Ca 0.13 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 1gqj h PHE 129 Cb 0.15 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1gqj h PHE 129 CO -0.01 0.67 -0.09 1.25 -0.60 0.00 0.00 178.31 179.53 1gqj h HIS 130 N 0.95 1.10 -0.55 -0.55 2.76 -0.89 -1.02 115.15 116.95 1gqj h HIS 130 Ca 0.24 -0.22 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1gqj h HIS 130 Cb 0.06 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 1gqj h HIS 130 CO 0.01 1.03 0.27 1.25 -1.30 0.00 0.00 177.93 179.19 1gqj h LEU 131 N 0.86 0.39 -0.82 0.26 7.12 -0.68 0.28 115.31 122.72 1gqj h LEU 131 Ca 0.14 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1gqj h LEU 131 Cb 0.65 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.70 1gqj h LEU 131 CO 0.04 0.26 0.49 -0.07 -0.13 0.00 0.00 178.44 179.03 1gqj h LEU 132 N 0.52 0.98 -0.84 2.25 3.38 -1.23 -2.76 115.31 117.62 1gqj h LEU 132 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1gqj h LEU 132 Cb 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1gqj h LEU 132 CO -0.18 0.76 0.50 -0.09 0.09 0.00 0.00 178.44 179.53 1gqj h ARG 133 N 1.12 1.14 -0.45 1.13 2.43 -0.39 0.32 114.38 119.68 1gqj h ARG 133 Ca 0.29 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1gqj h ARG 133 Cb -0.04 -0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 29.20 1gqj h ARG 133 CO -0.05 0.81 0.01 -0.07 -1.51 0.00 0.00 179.97 179.15 1gqj h LEU 134 N 1.15 -0.18 -0.46 3.80 3.38 -0.69 0.76 115.31 123.08 1gqj h LEU 134 Ca 0.30 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 1gqj h LEU 134 Cb -0.04 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1gqj h LEU 134 CO -0.06 -0.05 -0.10 0.40 0.09 0.00 0.00 178.44 178.73 1gqj h ILE 135 N 0.12 1.27 0.00 1.22 2.04 -1.14 0.21 117.51 121.23 1gqj h ILE 135 Ca 0.22 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 1gqj h ILE 135 Cb 0.32 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1gqj h ILE 135 CO -0.37 0.42 -0.08 1.56 0.00 0.00 0.00 178.15 179.68 1gqj h GLN 136 N 0.72 0.00 -0.68 2.37 4.20 0.13 -1.41 115.11 120.44 1gqj h GLN 136 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1gqj h GLN 136 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1gqj h GLN 136 CO 0.04 0.08 0.00 0.25 -0.67 0.00 0.00 178.83 178.53 1gqj n THR 137 N -4.34 1.29 -3.65 -0.54 -2.24 0.22 -4.45 114.28 100.57 1gqj n THR 137 Ca -0.03 -1.08 -0.23 0.00 -2.27 0.00 0.00 64.05 60.45 1gqj n THR 137 Cb 0.16 0.37 0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1gqj n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqj n GLN 138 N 1.40 -6.17 -3.44 -0.78 6.02 -0.53 -4.99 117.38 108.88 1gqj n GLN 138 Ca 0.24 0.72 -0.33 0.00 -0.01 0.00 0.00 57.00 57.62 1gqj n GLN 138 Cb 0.70 -5.58 -0.05 0.00 1.02 0.00 0.00 30.24 26.33 1gqj n GLN 138 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1gqj s HIS 139 N -3.43 3.51 0.16 1.08 3.76 0.66 -5.03 115.29 116.00 1gqj s HIS 139 Ca 0.27 0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 55.78 1gqj s HIS 139 Cb -0.13 -2.26 -0.07 0.00 1.11 0.00 0.00 32.58 31.23 1gqj s HIS 139 CO 0.78 0.37 0.99 0.00 -0.85 0.00 0.00 174.74 176.03 1gqj s ALA 140 N -1.63 3.30 -0.34 -1.40 0.00 -1.26 -4.55 121.76 115.87 1gqj s ALA 140 Ca 0.42 0.65 0.22 0.00 0.00 0.00 0.00 51.96 53.24 1gqj s ALA 140 Cb -0.13 -3.28 0.19 0.00 0.00 0.00 0.00 23.12 19.91 1gqj s ALA 140 CO 0.20 -0.01 1.38 -0.07 0.00 0.00 0.00 175.76 177.27 1gqj h LEU 141 N 5.06 0.00 -9.69 0.00 4.07 -1.97 -3.44 115.31 109.34 1gqj h LEU 141 Ca -0.44 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.00 1gqj h LEU 141 Cb 1.21 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.01 1gqj h LEU 141 CO 0.71 0.04 0.88 -0.70 -1.08 0.00 0.00 178.44 178.29 1gqj s GLU 142 N -3.24 4.19 -1.82 1.13 2.56 -1.26 -1.37 118.70 118.88 1gqj s GLU 142 Ca 0.04 2.45 0.00 0.00 0.00 0.00 0.00 54.97 57.46 1gqj s GLU 142 Cb 0.07 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 33.10 1gqj s GLU 142 CO 0.72 -0.60 0.00 1.63 -0.56 0.00 0.00 175.26 176.45 1gqj n LYS 143 N 3.22 -1.33 -1.70 4.30 5.02 -1.26 -4.93 118.16 121.48 1gqj n LYS 143 Ca 0.11 1.10 -0.43 0.00 -2.02 0.00 0.00 58.31 57.07 1gqj n LYS 143 Cb 0.38 -5.39 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 1gqj n LYS 143 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1gqj n LEU 144 N -1.95 3.77 -3.23 -0.35 7.94 -0.47 -4.85 117.00 117.85 1gqj n LEU 144 Ca -0.17 1.05 -0.03 0.00 -1.11 0.00 0.00 56.01 55.75 1gqj n LEU 144 Cb 0.60 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1gqj n LEU 144 CO 0.26 0.06 0.01 -0.55 -1.11 0.00 0.00 177.39 176.06 1gqj s SER 145 N 1.39 -0.56 0.01 1.96 0.15 -1.25 -0.88 113.70 114.52 1gqj s SER 145 Ca 0.77 -0.16 -0.10 0.00 0.70 0.00 0.00 55.95 57.16 1gqj s SER 145 Cb -0.55 1.54 0.01 0.00 -1.71 0.00 0.00 66.02 65.30 1gqj s SER 145 CO 0.35 -0.32 0.20 -1.48 1.20 0.00 0.00 173.24 173.18 1gqj s LEU 146 N 2.63 1.33 0.09 3.45 0.05 0.73 -5.01 118.68 121.96 1gqj s LEU 146 Ca 0.10 -0.20 0.04 0.00 0.05 0.00 0.00 54.13 54.12 1gqj s LEU 146 Cb -0.11 0.91 -0.03 0.00 -2.05 0.00 0.00 46.19 44.90 1gqj s LEU 146 CO -0.27 -0.45 -0.11 -0.94 -0.55 0.00 0.00 176.35 174.03 1gqj s SER 147 N -1.63 1.47 -0.13 1.48 1.04 -1.26 0.08 113.70 114.75 1gqj s SER 147 Ca -0.11 -0.77 -0.21 0.00 0.48 0.00 0.00 55.95 55.33 1gqj s SER 147 Cb -0.05 -0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.12 1gqj s SER 147 CO 0.00 -0.23 0.54 -0.55 0.98 0.00 0.00 173.24 173.98 1gqj s SER 148 N -2.31 -0.52 0.02 7.02 0.15 -0.75 -5.01 113.70 112.30 1gqj s SER 148 Ca 0.04 0.81 0.01 0.00 0.70 0.00 0.00 55.95 57.51 1gqj s SER 148 Cb -0.04 0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 65.07 1gqj s SER 148 CO 0.00 -0.35 -0.04 0.00 1.20 0.00 0.00 173.24 174.05 1gqj s ALA 149 N -0.41 0.29 0.50 5.45 0.00 -1.26 -1.36 121.76 124.98 1gqj s ALA 149 Ca -0.06 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 1gqj s ALA 149 Cb -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.07 1gqj s ALA 149 CO 0.04 -0.05 1.16 -1.25 0.00 0.00 0.00 175.76 175.66 1gqj s PRO 150 N -1.04 3.54 0.00 0.00 0.04 -1.26 -4.90 135.00 131.38 1gqj s PRO 150 Ca -0.09 1.72 0.24 0.00 0.04 0.00 0.00 61.00 62.91 1gqj s PRO 150 Cb -0.07 -2.21 0.25 0.00 0.04 0.00 0.00 34.50 32.51 1gqj s PRO 150 CO -0.00 -0.72 1.24 0.54 0.04 0.00 0.00 177.00 178.10 1gqj n ARG 151 N -0.88 0.22 -4.61 4.56 1.74 0.69 -4.89 116.66 113.49 1gqj n ARG 151 Ca 0.09 -0.16 -0.22 0.00 -0.77 0.00 0.00 57.85 56.79 1gqj n ARG 151 Cb 0.49 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 1gqj n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gqj s LEU 152 N -2.89 2.07 -0.03 0.55 1.43 -1.26 -4.66 118.68 113.89 1gqj s LEU 152 Ca 0.12 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.65 1gqj s LEU 152 Cb 0.17 -0.74 -0.21 0.00 0.03 0.00 0.00 46.19 45.44 1gqj s LEU 152 CO 0.72 0.15 1.16 -0.61 0.23 0.00 0.00 176.35 178.00 1gqj h GLN 153 N 5.53 0.10 -3.95 1.70 4.15 -1.86 -3.41 115.11 117.37 1gqj h GLN 153 Ca -0.36 -0.08 -0.74 0.00 0.77 0.00 0.00 58.65 58.25 1gqj h GLN 153 Cb 1.16 0.01 -0.30 0.00 0.21 0.00 0.00 27.48 28.57 1gqj h GLN 153 CO 0.47 0.70 -0.23 -1.01 -1.93 0.00 0.00 178.83 176.83 1gqj s HIS 154 N -3.72 3.51 -0.58 3.99 3.76 -0.07 -4.97 115.29 117.21 1gqj s HIS 154 Ca -0.16 -2.12 -0.08 0.00 -0.15 0.00 0.00 55.06 52.55 1gqj s HIS 154 Cb 0.01 -3.52 0.15 0.00 1.11 0.00 0.00 32.58 30.33 1gqj s HIS 154 CO 0.71 -0.95 0.45 1.03 -0.85 0.00 0.00 174.74 175.13 1gqj s ARG 155 N 0.63 2.72 0.23 1.40 0.52 -1.26 -0.99 118.95 122.19 1gqj s ARG 155 Ca 0.12 -2.10 0.10 0.00 -0.52 0.00 0.00 55.73 53.33 1gqj s ARG 155 Cb -0.20 -3.97 -0.05 0.00 0.52 0.00 0.00 34.95 31.25 1gqj s ARG 155 CO -0.04 -1.21 -0.17 0.54 0.02 0.00 0.00 175.30 174.44 1gqj s VAL 156 N 0.76 2.08 0.22 3.52 0.11 -0.58 -1.30 120.40 125.21 1gqj s VAL 156 Ca 0.11 -2.26 0.08 0.00 -2.93 0.00 0.00 61.98 56.98 1gqj s VAL 156 Cb -0.22 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1gqj s VAL 156 CO -0.03 -0.47 0.05 0.68 -3.33 0.00 0.00 175.10 171.99 1gqj s VAL 157 N -2.65 3.82 -0.05 2.04 -7.23 -0.87 -1.23 120.40 114.22 1gqj s VAL 157 Ca 0.25 -1.58 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1gqj s VAL 157 Cb -0.03 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 1gqj s VAL 157 CO 0.10 -0.26 -0.22 0.20 -0.31 0.00 0.00 175.10 174.61 1gqj s ASN 158 N -3.41 2.71 -0.31 4.85 0.01 0.14 -1.07 114.94 117.85 1gqj s ASN 158 Ca 0.30 -0.45 -0.05 0.00 -0.71 0.00 0.00 52.86 51.96 1gqj s ASN 158 Cb -0.08 -0.71 0.04 0.00 0.41 0.00 0.00 41.25 40.91 1gqj s ASN 158 CO 0.21 0.22 0.06 -1.00 -1.51 0.00 0.00 177.10 175.07 1gqj s HIS 159 N -0.12 3.23 -0.66 2.20 3.76 0.16 -2.57 115.29 121.28 1gqj s HIS 159 Ca -0.03 -1.49 -0.07 0.00 -0.15 0.00 0.00 55.06 53.33 1gqj s HIS 159 Cb -0.12 -2.21 -0.11 0.00 1.11 0.00 0.00 32.58 31.25 1gqj s HIS 159 CO 0.03 -0.73 3.14 0.91 -0.85 0.00 0.00 174.74 177.24 1gqj n TRP 160 N 4.76 1.24 -3.24 1.40 8.01 -1.26 -2.40 117.44 125.95 1gqj n TRP 160 Ca -0.13 -2.15 -0.39 0.00 -1.31 0.00 0.00 57.50 53.52 1gqj n TRP 160 Cb 0.45 -1.81 -0.06 0.00 -2.01 0.00 0.00 31.31 27.88 1gqj n TRP 160 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1gqj s ASP 161 N 1.52 6.69 0.53 -0.99 1.11 -1.26 -0.82 116.67 123.45 1gqj s ASP 161 Ca 0.65 0.82 -0.13 0.00 0.18 0.00 0.00 52.55 54.07 1gqj s ASP 161 Cb 0.28 -2.31 -0.06 0.00 1.07 0.00 0.00 42.92 41.90 1gqj s ASP 161 CO -0.07 -0.10 0.95 0.20 1.18 0.00 0.00 175.17 177.33 1gqj s ASN 162 N 0.88 6.44 0.47 0.27 0.01 -0.32 -0.92 114.94 121.77 1gqj s ASN 162 Ca 0.27 1.40 0.30 0.00 -0.71 0.00 0.00 52.86 54.12 1gqj s ASN 162 Cb -0.16 -2.45 1.07 0.00 0.41 0.00 0.00 41.25 40.13 1gqj s ASN 162 CO 0.11 -0.66 1.86 -0.07 -1.51 0.00 0.00 177.10 176.83 1gqj h LEU 163 N 0.48 0.00 0.00 0.60 3.38 -1.98 -0.33 115.31 117.46 1gqj h LEU 163 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1gqj h LEU 163 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gqj h LEU 163 CO 0.62 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.69 1gqj n ASN 164 N -2.93 0.00 0.00 -0.43 6.94 -1.26 -4.86 115.26 112.72 1gqj n ASN 164 Ca 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1gqj n ASN 164 Cb 0.35 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1gqj n ASN 164 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gqj n ARG 165 N -1.24 0.00 -2.81 -3.83 1.74 -0.13 -5.00 116.66 105.39 1gqj n ARG 165 Ca 0.07 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 1gqj n ARG 165 Cb 0.10 -2.41 -0.04 0.00 -1.02 0.00 0.00 32.46 29.09 1gqj n ARG 165 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gqj s VAL 166 N -2.57 4.62 -0.22 1.55 1.01 -1.26 0.17 120.40 123.72 1gqj s VAL 166 Ca 0.00 1.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 1gqj s VAL 166 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1gqj s VAL 166 CO 0.00 0.31 0.23 -0.69 0.00 0.00 0.00 175.10 174.95 1gqj s VAL 167 N 0.12 5.32 -0.17 2.92 1.01 -1.26 -1.17 120.40 127.16 1gqj s VAL 167 Ca 0.45 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1gqj s VAL 167 Cb -0.22 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1gqj s VAL 167 CO 0.27 0.34 1.17 -0.70 0.00 0.00 0.00 175.10 176.18 1gqj s GLU 168 N 0.97 4.26 -1.09 2.72 2.12 0.00 -2.49 118.70 125.20 1gqj s GLU 168 Ca 0.11 1.55 -0.00 0.00 0.36 0.00 0.00 54.97 56.99 1gqj s GLU 168 Cb -0.13 -3.69 -0.00 0.00 0.26 0.00 0.00 34.13 30.56 1gqj s GLU 168 CO 0.04 -0.63 0.91 0.54 -0.54 0.00 0.00 175.26 175.58 1gqj n ARG 169 N 6.28 -6.02 -4.05 4.30 5.12 -1.26 -4.68 116.66 116.35 1gqj n ARG 169 Ca 0.13 0.78 -0.32 0.00 -1.93 0.00 0.00 57.85 56.50 1gqj n ARG 169 Cb 0.46 -5.57 -0.15 0.00 -1.16 0.00 0.00 32.46 26.03 1gqj n ARG 169 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1gqj s GLY 170 N -4.23 1.65 -0.07 -0.13 0.00 -1.04 -4.83 107.32 98.67 1gqj s GLY 170 Ca 0.00 -1.72 0.11 0.00 0.00 0.00 0.00 44.72 43.11 1gqj s GLY 170 CO 0.67 0.59 1.20 -1.72 0.00 0.00 0.00 173.10 173.83 1gqj n TYR 171 N 4.47 0.34 -1.73 1.90 4.01 -1.26 -4.56 117.16 120.32 1gqj n TYR 171 Ca -0.14 -0.69 0.05 0.00 -0.16 0.00 0.00 57.90 56.96 1gqj n TYR 171 Cb 0.43 -0.12 0.11 0.00 -0.31 0.00 0.00 39.34 39.44 1gqj n TYR 171 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gqj n ALA 172 N -0.42 2.67 0.00 -0.72 0.00 -1.26 -4.54 120.51 116.23 1gqj n ALA 172 Ca 0.11 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1gqj n ALA 172 Cb 0.52 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1gqj n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqj n GLY 173 N -0.63 -1.42 3.83 0.00 0.00 -1.26 -2.02 105.19 103.68 1gqj n GLY 173 Ca 0.12 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1gqj n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqj s LEU 174 N 0.00 2.92 0.39 0.99 1.43 -1.26 -4.51 118.68 118.64 1gqj s LEU 174 Ca 0.00 1.42 -0.26 0.00 -1.03 0.00 0.00 54.13 54.26 1gqj s LEU 174 Cb 0.00 -4.21 -0.11 0.00 0.03 0.00 0.00 46.19 41.90 1gqj s LEU 174 CO 0.00 -1.57 1.26 -0.24 0.23 0.00 0.00 176.35 176.04 1gqj n SER 175 N -3.19 2.55 0.28 2.29 2.88 0.13 -0.91 113.62 117.65 1gqj n SER 175 Ca 0.07 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.91 1gqj n SER 175 Cb 0.55 -1.48 0.81 0.00 -0.75 0.00 0.00 64.21 63.34 1gqj n SER 175 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1gqj h LEU 176 N 2.25 0.00 -8.60 2.46 3.38 -1.89 -3.43 115.31 109.48 1gqj h LEU 176 Ca -0.47 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.89 1gqj h LEU 176 Cb 1.29 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.93 1gqj h LEU 176 CO 0.61 0.08 0.55 0.26 0.09 0.00 0.00 178.44 180.03 1gqj s TRP 177 N -4.13 2.88 -1.22 1.13 0.23 -1.26 -4.94 118.94 111.63 1gqj s TRP 177 Ca -0.03 0.21 -0.13 0.00 -2.03 0.00 0.00 56.10 54.13 1gqj s TRP 177 Cb 0.13 -3.97 0.18 0.00 0.03 0.00 0.00 33.47 29.83 1gqj s TRP 177 CO 0.55 -1.18 1.51 -3.47 0.96 0.00 0.00 176.95 175.32 1gqj n ASP 178 N 7.23 5.22 0.01 2.95 2.03 -1.26 -4.85 116.55 127.87 1gqj n ASP 178 Ca 0.04 -3.01 0.15 0.00 0.52 0.00 0.00 54.79 52.49 1gqj n ASP 178 Cb 0.48 -1.54 0.60 0.00 -0.72 0.00 0.00 41.12 39.94 1gqj n ASP 178 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1gqj h TRP 179 N 6.83 0.19 0.00 -0.67 4.06 -1.92 -1.25 115.95 123.19 1gqj h TRP 179 Ca 0.33 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.24 1gqj h TRP 179 Cb 0.82 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.91 1gqj h TRP 179 CO 1.12 0.09 -0.20 0.78 -3.56 0.00 0.00 178.44 176.67 1gqj h GLY 180 N 0.18 0.00 -0.72 1.49 0.00 -1.97 -3.00 103.07 99.05 1gqj h GLY 180 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1gqj h GLY 180 CO -0.03 0.00 -0.34 -1.14 0.00 0.00 0.00 176.54 175.03 1gqj n SER 181 N -3.89 1.61 -4.84 0.19 3.41 -0.53 -4.98 113.62 104.59 1gqj n SER 181 Ca -0.02 -1.31 -0.33 0.00 -0.26 0.00 0.00 58.87 56.95 1gqj n SER 181 Cb 0.29 0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 1gqj n SER 181 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqj s LEU 182 N -2.03 4.13 0.00 1.04 1.43 -0.88 -0.37 118.68 121.99 1gqj s LEU 182 Ca 0.13 1.28 0.29 0.00 -1.03 0.00 0.00 54.13 54.80 1gqj s LEU 182 Cb 0.13 -3.95 1.23 0.00 0.03 0.00 0.00 46.19 43.63 1gqj s LEU 182 CO 0.41 -0.15 1.88 -0.81 0.23 0.00 0.00 176.35 177.91 1gqj n PRO 183 N -0.13 0.33 -0.33 1.29 -0.04 -1.26 -4.82 135.00 130.04 1gqj n PRO 183 Ca 0.02 -0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 1gqj n PRO 183 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 1gqj n PRO 183 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1gqj h ASN 184 N 0.18 1.00 -3.40 3.54 4.21 -1.89 -3.40 115.58 115.82 1gqj h ASN 184 Ca 0.00 -0.02 -0.71 0.00 1.21 0.00 0.00 56.30 56.77 1gqj h ASN 184 Cb 0.40 -0.25 -0.20 0.00 -1.12 0.00 0.00 38.32 37.15 1gqj h ASN 184 CO 0.00 0.72 -0.25 -0.47 -1.29 0.00 0.00 177.43 176.14 1gqj s TYR 185 N -6.12 3.19 -1.07 1.19 5.04 0.50 -5.00 117.35 115.07 1gqj s TYR 185 Ca -0.13 -0.64 -0.15 0.00 -2.44 0.00 0.00 57.07 53.71 1gqj s TYR 185 Cb 0.17 -3.04 0.16 0.00 0.35 0.00 0.00 41.96 39.60 1gqj s TYR 185 CO 0.80 -0.77 1.25 -0.51 -1.34 0.00 0.00 175.55 174.98 1gqj s LEU 186 N 1.96 5.23 0.29 6.97 1.43 -1.26 -4.67 118.68 128.63 1gqj s LEU 186 Ca 0.08 -2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 50.25 1gqj s LEU 186 Cb -0.20 -2.38 -0.11 0.00 0.03 0.00 0.00 46.19 43.53 1gqj s LEU 186 CO 0.10 -0.83 1.55 0.00 0.23 0.00 0.00 176.35 177.40 1gqj s ALA 187 N 1.76 3.70 0.43 4.21 0.00 -1.26 -4.89 121.76 125.71 1gqj s ALA 187 Ca 0.37 1.51 0.22 0.00 0.00 0.00 0.00 51.96 54.06 1gqj s ALA 187 Cb -0.04 -3.62 1.20 0.00 0.00 0.00 0.00 23.12 20.66 1gqj s ALA 187 CO -0.05 -0.93 1.78 -1.35 0.00 0.00 0.00 175.76 175.21 1gqj h PRO 188 N 4.74 0.29 -0.06 0.00 0.11 -2.01 -1.71 132.00 133.36 1gqj h PRO 188 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1gqj h PRO 188 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1gqj h PRO 188 CO 0.78 0.19 -0.03 -0.09 -0.21 0.00 0.00 178.00 178.64 1gqj h ARG 189 N 0.30 0.09 -0.94 1.05 2.43 -1.99 -0.09 114.38 115.23 1gqj h ARG 189 Ca 0.58 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.75 1gqj h ARG 189 Cb 1.65 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.14 1gqj h ARG 189 CO -0.23 0.13 0.62 1.88 -1.51 0.00 0.00 179.97 180.86 1gqj h TYR 190 N 0.09 1.18 -0.28 2.20 0.05 -1.68 0.34 116.97 118.88 1gqj h TYR 190 Ca 0.02 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.67 1gqj h TYR 190 Cb 0.12 -0.40 -0.00 0.00 1.01 0.00 0.00 36.73 37.46 1gqj h TYR 190 CO 0.00 0.75 -0.46 1.15 -1.05 0.00 0.00 178.16 178.55 1gqj h THR 191 N 1.28 1.29 -0.21 -2.88 2.02 -1.16 -2.49 112.91 110.75 1gqj h THR 191 Ca 0.34 -1.65 -0.06 0.00 0.77 0.00 0.00 66.41 65.82 1gqj h THR 191 Cb -0.15 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1gqj h THR 191 CO -0.07 0.53 -0.12 0.44 0.37 0.00 0.00 175.52 176.67 1gqj h ASP 192 N 0.56 0.33 -0.48 4.18 3.32 -0.96 -0.90 116.42 122.47 1gqj h ASP 192 Ca 0.02 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1gqj h ASP 192 Cb 1.06 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1gqj h ASP 192 CO 0.10 0.48 0.22 0.22 -1.72 0.00 0.00 179.24 178.54 1gqj h TYR 193 N 0.33 0.70 -0.81 4.55 3.20 -0.84 -1.06 116.97 123.04 1gqj h TYR 193 Ca 0.07 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1gqj h TYR 193 Cb 0.41 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1gqj h TYR 193 CO 0.01 0.57 0.37 0.00 -1.64 0.00 0.00 178.16 177.47 1gqj h ALA 194 N 1.06 1.13 -0.32 1.82 0.00 -1.00 -2.42 119.26 119.54 1gqj h ALA 194 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1gqj h ALA 194 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1gqj h ALA 194 CO -0.02 0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.99 1gqj h ARG 195 N 1.15 0.48 0.01 0.00 3.08 -0.96 0.14 114.38 118.29 1gqj h ARG 195 Ca 0.28 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1gqj h ARG 195 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1gqj h ARG 195 CO -0.03 0.51 -0.16 0.82 -1.07 0.00 0.00 179.97 180.03 1gqj h ILE 196 N 0.36 0.61 -0.35 2.04 2.04 -1.06 0.29 117.51 121.44 1gqj h ILE 196 Ca 0.10 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.83 1gqj h ILE 196 Cb 0.22 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1gqj h ILE 196 CO -0.01 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.63 1gqj h ASN 197 N -0.27 0.86 -0.12 1.72 2.35 -1.36 -3.14 115.58 115.61 1gqj h ASN 197 Ca 0.05 -0.45 -0.04 0.00 -0.55 0.00 0.00 56.30 55.31 1gqj h ASN 197 Cb 0.33 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1gqj h ASN 197 CO -0.15 1.13 -0.02 0.00 -1.65 0.00 0.00 177.43 176.75 1gqj h ALA 198 N 0.75 1.54 -0.16 -0.83 0.00 -0.58 -1.65 119.26 118.33 1gqj h ALA 198 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1gqj h ALA 198 Cb 0.87 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1gqj h ALA 198 CO 0.08 0.33 0.16 0.66 0.00 0.00 0.00 179.25 180.48 1gqj h SER 199 N 0.34 0.00 0.18 0.00 4.64 -0.89 -0.58 113.55 117.24 1gqj h SER 199 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1gqj h SER 199 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1gqj h SER 199 CO 0.01 0.00 -1.21 0.18 -0.87 0.00 0.00 176.83 174.93 1gqj n LEU 200 N -3.93 0.62 0.00 5.97 4.77 -0.78 -4.82 117.00 118.83 1gqj n LEU 200 Ca 0.01 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1gqj n LEU 200 Cb 0.28 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1gqj n LEU 200 CO 0.29 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1gqj n GLY 201 N 1.40 0.61 3.70 -0.72 0.00 -0.22 -4.49 105.19 105.46 1gqj n GLY 201 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1gqj n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqj s ILE 202 N -2.42 3.12 -0.13 -0.61 -1.09 -0.69 -4.85 121.20 114.52 1gqj s ILE 202 Ca 0.00 0.67 0.19 0.00 -2.23 0.00 0.00 60.65 59.28 1gqj s ILE 202 Cb 0.00 -3.43 0.30 0.00 -1.58 0.00 0.00 42.46 37.75 1gqj s ILE 202 CO 0.00 0.02 1.16 -0.46 -1.23 0.00 0.00 174.94 174.43 1gqj n ASN 203 N 4.91 2.43 -3.57 3.58 0.23 -0.42 -4.18 115.26 118.24 1gqj n ASN 203 Ca 0.14 -3.09 -0.14 0.00 -0.53 0.00 0.00 54.58 50.96 1gqj n ASN 203 Cb 0.41 -0.44 -0.06 0.00 -2.08 0.00 0.00 39.78 37.61 1gqj n ASN 203 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gqj s GLY 204 N -2.83 -0.42 -0.07 4.83 0.00 -1.19 -1.44 107.32 106.19 1gqj s GLY 204 Ca 0.33 1.80 -0.03 0.00 0.00 0.00 0.00 44.72 46.81 1gqj s GLY 204 CO 0.03 1.18 0.17 -0.51 0.00 0.00 0.00 173.10 173.97 1gqj s THR 205 N -0.80 -0.05 -0.39 0.90 -4.23 -0.72 -2.06 115.64 108.29 1gqj s THR 205 Ca -0.05 0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 60.45 1gqj s THR 205 Cb -0.01 -0.27 0.01 0.00 1.34 0.00 0.00 72.50 73.57 1gqj s THR 205 CO 0.04 0.07 0.45 -0.69 -0.54 0.00 0.00 174.62 173.95 1gqj s VAL 206 N 1.15 5.07 -0.76 2.29 1.01 -0.24 -1.61 120.40 127.31 1gqj s VAL 206 Ca -0.09 -0.11 0.25 0.00 0.00 0.00 0.00 61.98 62.03 1gqj s VAL 206 Cb -0.11 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.34 1gqj s VAL 206 CO -0.06 -0.34 1.41 2.30 0.00 0.00 0.00 175.10 178.41 1gqj n ILE 207 N 5.43 0.25 -4.33 2.22 -5.35 -1.19 0.39 119.36 116.79 1gqj n ILE 207 Ca -0.07 -0.18 -0.24 0.00 -0.27 0.00 0.00 62.75 61.99 1gqj n ILE 207 Cb 0.48 -0.08 -0.12 0.00 -1.74 0.00 0.00 39.64 38.18 1gqj n ILE 207 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1gqj s ASN 208 N -3.84 2.75 0.20 7.28 4.22 -1.18 -4.23 114.94 120.14 1gqj s ASN 208 Ca 0.08 -0.77 -0.32 0.00 -2.14 0.00 0.00 52.86 49.71 1gqj s ASN 208 Cb 0.15 -0.16 -0.15 0.00 1.28 0.00 0.00 41.25 42.36 1gqj s ASN 208 CO 0.70 0.04 1.15 -3.20 -2.04 0.00 0.00 177.10 173.75 1gqj n ASN 209 N 0.71 1.41 0.19 3.54 2.85 -0.09 -4.31 115.26 119.56 1gqj n ASN 209 Ca -0.16 1.15 0.04 0.00 -0.11 0.00 0.00 54.58 55.49 1gqj n ASN 209 Cb 0.55 -1.24 0.46 0.00 1.24 0.00 0.00 39.78 40.79 1gqj n ASN 209 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1gqj h VAL 210 N 2.57 1.16 -0.95 3.44 -1.51 -1.91 -3.24 116.25 115.80 1gqj h VAL 210 Ca -0.43 -0.72 -0.51 0.00 -1.23 0.00 0.00 66.70 63.81 1gqj h VAL 210 Cb 1.34 1.33 -0.08 0.00 -2.13 0.00 0.00 31.29 31.74 1gqj h VAL 210 CO 0.69 0.21 1.34 0.20 -1.23 0.00 0.00 177.57 178.78 1gqj s ASN 211 N -6.96 6.10 0.10 4.19 0.01 -1.26 -4.31 114.94 112.81 1gqj s ASN 211 Ca -0.04 -1.34 -0.17 0.00 -0.71 0.00 0.00 52.86 50.60 1gqj s ASN 211 Cb 0.16 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.18 1gqj s ASN 211 CO 0.71 -1.88 0.55 0.00 -1.51 0.00 0.00 177.10 174.97 1gqj s ALA 212 N 6.55 3.59 -0.28 0.60 0.00 -1.22 -5.00 121.76 126.00 1gqj s ALA 212 Ca 0.54 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 1gqj s ALA 212 Cb -0.01 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1gqj s ALA 212 CO -0.05 0.43 0.16 0.34 0.00 0.00 0.00 175.76 176.64 1gqj s ASP 213 N -1.36 5.79 0.23 0.00 -1.08 -1.26 -4.60 116.67 114.39 1gqj s ASP 213 Ca 0.32 -0.10 0.20 0.00 -0.52 0.00 0.00 52.55 52.45 1gqj s ASP 213 Cb -0.17 -2.07 0.92 0.00 -1.46 0.00 0.00 42.92 40.14 1gqj s ASP 213 CO 0.19 -0.06 1.61 -0.81 0.52 0.00 0.00 175.17 176.61 1gqj n PRO 214 N 5.03 0.14 0.28 4.34 -0.04 -1.26 -2.93 135.00 140.56 1gqj n PRO 214 Ca -0.14 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 1gqj n PRO 214 Cb 0.52 -1.83 0.83 0.00 -0.04 0.00 0.00 33.50 32.98 1gqj n PRO 214 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gqj h ARG 215 N 0.00 0.00 0.00 0.54 3.08 -1.98 -2.41 114.38 113.61 1gqj h ARG 215 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1gqj h ARG 215 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1gqj h ARG 215 CO 0.00 0.04 -0.03 -0.39 -1.07 0.00 0.00 179.97 178.52 1gqj h VAL 216 N 0.00 0.32 -0.04 2.04 -1.51 -1.93 -0.85 116.25 114.28 1gqj h VAL 216 Ca -0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1gqj h VAL 216 Cb 0.10 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1gqj h VAL 216 CO 0.01 0.03 0.00 0.18 -1.23 0.00 0.00 177.57 176.55 1gqj n LEU 217 N -3.49 1.32 -4.87 4.19 4.77 -0.90 -3.90 117.00 114.11 1gqj n LEU 217 Ca -0.02 -0.47 -0.31 0.00 -0.03 0.00 0.00 56.01 55.18 1gqj n LEU 217 Cb 0.13 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1gqj n LEU 217 CO 0.25 0.23 0.48 -0.94 -1.33 0.00 0.00 177.39 176.08 1gqj s SER 218 N -1.90 6.53 0.24 -1.43 1.04 -0.32 -4.87 113.70 112.99 1gqj s SER 218 Ca 0.38 1.19 -0.05 0.00 0.48 0.00 0.00 55.95 57.95 1gqj s SER 218 Cb 0.20 -2.35 0.42 0.00 0.10 0.00 0.00 66.02 64.39 1gqj s SER 218 CO 0.32 -0.43 1.75 0.44 0.98 0.00 0.00 173.24 176.30 1gqj h ASP 219 N 1.21 0.34 -0.54 7.02 3.32 -1.91 0.28 116.42 126.13 1gqj h ASP 219 Ca -0.47 0.09 0.10 0.00 0.02 0.00 0.00 57.03 56.77 1gqj h ASP 219 Cb 1.19 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 1gqj h ASP 219 CO 0.63 0.16 -0.33 -0.61 -1.72 0.00 0.00 179.24 177.37 1gqj h GLN 220 N 0.50 -0.18 0.02 3.56 4.15 -1.93 -1.42 115.11 119.80 1gqj h GLN 220 Ca 0.39 0.01 -0.24 0.00 0.77 0.00 0.00 58.65 59.58 1gqj h GLN 220 Cb 0.54 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1gqj h GLN 220 CO -0.36 -0.12 -1.24 0.74 -1.93 0.00 0.00 178.83 175.92 1gqj h PHE 221 N -0.18 0.08 -0.45 3.99 0.04 -1.58 -3.27 116.94 115.57 1gqj h PHE 221 Ca 0.22 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1gqj h PHE 221 Cb 0.55 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1gqj h PHE 221 CO -0.61 1.06 0.17 -0.07 -0.60 0.00 0.00 178.31 178.25 1gqj h LEU 222 N 0.01 0.58 -0.97 1.54 3.38 -0.18 0.43 115.31 120.11 1gqj h LEU 222 Ca -0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1gqj h LEU 222 Cb 1.87 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 1gqj h LEU 222 CO 0.13 0.54 0.36 1.56 0.09 0.00 0.00 178.44 181.12 1gqj h GLN 223 N 0.64 1.10 -0.09 1.13 4.20 -1.34 -0.72 115.11 120.03 1gqj h GLN 223 Ca 0.15 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1gqj h GLN 223 Cb 0.15 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1gqj h GLN 223 CO -0.01 0.85 -0.09 0.87 -0.67 0.00 0.00 178.83 179.78 1gqj h LYS 224 N 1.09 0.21 -0.56 1.46 1.57 -1.32 -3.11 116.57 115.91 1gqj h LYS 224 Ca 0.26 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1gqj h LYS 224 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1gqj h LYS 224 CO -0.03 0.64 0.27 0.82 -0.57 0.00 0.00 179.45 180.58 1gqj h ILE 225 N -0.21 1.19 -0.51 1.86 2.04 -0.88 -2.16 117.51 118.84 1gqj h ILE 225 Ca 0.01 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1gqj h ILE 225 Cb 0.60 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1gqj h ILE 225 CO 0.02 0.22 0.17 0.00 0.00 0.00 0.00 178.15 178.56 1gqj h ALA 226 N 1.51 1.35 -0.43 1.87 0.00 -1.14 0.26 119.26 122.68 1gqj h ALA 226 Ca 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1gqj h ALA 226 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1gqj h ALA 226 CO -0.03 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 1gqj h ALA 227 N 1.46 1.14 -0.22 0.00 0.00 -1.32 0.25 119.26 120.57 1gqj h ALA 227 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1gqj h ALA 227 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gqj h ALA 227 CO -0.01 0.55 -0.03 -0.07 0.00 0.00 0.00 179.25 179.69 1gqj h LEU 228 N 0.67 0.40 -0.72 0.00 3.38 -1.03 -2.35 115.31 115.66 1gqj h LEU 228 Ca 0.13 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1gqj h LEU 228 Cb 0.46 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1gqj h LEU 228 CO 0.02 0.65 0.44 0.00 0.09 0.00 0.00 178.44 179.64 1gqj h ALA 229 N 0.77 0.97 -0.69 1.53 0.00 0.02 -1.20 119.26 120.65 1gqj h ALA 229 Ca 0.06 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1gqj h ALA 229 Cb 0.46 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1gqj h ALA 229 CO 0.02 0.18 0.37 -0.44 0.00 0.00 0.00 179.25 179.37 1gqj h ASP 230 N 0.83 0.52 -0.23 0.00 3.32 -0.44 -0.51 116.42 119.91 1gqj h ASP 230 Ca 0.31 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 1gqj h ASP 230 Cb 0.10 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1gqj h ASP 230 CO -0.14 0.32 -0.15 0.00 -1.72 0.00 0.00 179.24 177.54 1gqj h ALA 231 N 1.39 1.07 0.02 3.45 0.00 -0.82 -3.26 119.26 121.11 1gqj h ALA 231 Ca 0.33 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1gqj h ALA 231 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1gqj h ALA 231 CO -0.22 0.57 -0.94 0.74 0.00 0.00 0.00 179.25 179.39 1gqj h PHE 232 N 0.58 0.12 -0.33 0.00 0.04 -0.79 -3.39 116.94 113.17 1gqj h PHE 232 Ca 0.10 -0.08 0.06 0.00 2.80 0.00 0.00 57.97 60.85 1gqj h PHE 232 Cb 0.59 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.67 1gqj h PHE 232 CO 0.03 0.97 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.56 1gqj h ARG 233 N 0.03 0.03 0.00 1.51 2.43 -1.14 -0.81 114.38 116.43 1gqj h ARG 233 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1gqj h ARG 233 Cb 1.63 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1gqj h ARG 233 CO 0.13 0.02 0.00 -1.35 -1.51 0.00 0.00 179.97 177.26 1gqj h PRO 234 N 0.03 0.00 -0.33 0.20 0.11 -1.76 -0.56 132.00 129.68 1gqj h PRO 234 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1gqj h PRO 234 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1gqj h PRO 234 CO -0.32 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.13 1gqj n TYR 235 N -2.50 0.44 -0.99 0.65 4.01 -0.32 -4.12 117.16 114.33 1gqj n TYR 235 Ca -0.00 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1gqj n TYR 235 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1gqj n TYR 235 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqj n GLY 236 N 1.20 0.43 3.59 2.72 0.00 -0.22 -4.71 105.19 108.19 1gqj n GLY 236 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1gqj n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqj s ILE 237 N -1.92 5.14 0.38 -0.61 1.01 -1.13 -4.62 121.20 119.46 1gqj s ILE 237 Ca 0.00 0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.96 1gqj s ILE 237 Cb 0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1gqj s ILE 237 CO 0.00 0.05 0.81 -0.54 0.00 0.00 0.00 174.94 175.26 1gqj s LYS 238 N 2.13 3.99 -0.03 2.79 1.02 -0.52 -3.93 119.74 125.19 1gqj s LYS 238 Ca 0.15 0.75 -0.18 0.00 0.02 0.00 0.00 55.97 56.72 1gqj s LYS 238 Cb -0.16 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1gqj s LYS 238 CO 0.11 0.03 0.48 1.41 -0.92 0.00 0.00 175.35 176.46 1gqj s MET 239 N -3.34 4.18 0.10 1.68 -2.45 -1.26 -1.76 119.30 116.44 1gqj s MET 239 Ca 0.56 0.52 0.03 0.00 -1.25 0.00 0.00 55.69 55.55 1gqj s MET 239 Cb -0.10 -3.32 -0.04 0.00 1.25 0.00 0.00 34.83 32.62 1gqj s MET 239 CO 0.21 0.44 -0.09 0.71 1.05 0.00 0.00 175.02 177.34 1gqj s TYR 240 N -0.33 1.00 -0.01 4.11 1.51 -0.63 0.39 117.35 123.38 1gqj s TYR 240 Ca 0.26 -0.71 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1gqj s TYR 240 Cb -0.17 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.13 1gqj s TYR 240 CO 0.14 -0.03 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.99 1gqj s LEU 241 N -2.56 1.80 0.35 -1.29 1.43 -0.81 -3.16 118.68 114.45 1gqj s LEU 241 Ca 0.06 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 1gqj s LEU 241 Cb -0.01 -0.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.84 1gqj s LEU 241 CO -0.01 0.02 1.13 -0.44 0.23 0.00 0.00 176.35 177.29 1gqj s SER 242 N 0.18 6.83 0.17 2.29 0.01 -1.26 -1.41 113.70 120.51 1gqj s SER 242 Ca -0.02 2.29 0.09 0.00 1.31 0.00 0.00 55.95 59.63 1gqj s SER 242 Cb -0.05 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1gqj s SER 242 CO -0.00 -0.46 -0.20 0.27 0.41 0.00 0.00 173.24 173.26 1gqj s ILE 243 N -1.36 1.96 -0.28 1.44 -5.25 -0.64 -4.81 121.20 112.26 1gqj s ILE 243 Ca 0.52 -1.94 -0.11 0.00 -0.99 0.00 0.00 60.65 58.13 1gqj s ILE 243 Cb -0.30 -1.91 -0.05 0.00 2.95 0.00 0.00 42.46 43.15 1gqj s ILE 243 CO 0.38 -0.26 0.18 0.21 -1.79 0.00 0.00 174.94 173.66 1gqj s ASN 244 N -2.66 5.94 0.54 4.36 2.47 -1.26 -4.48 114.94 119.85 1gqj s ASN 244 Ca 0.17 -0.03 0.23 0.00 0.42 0.00 0.00 52.86 53.66 1gqj s ASN 244 Cb -0.06 -2.10 1.49 0.00 -1.45 0.00 0.00 41.25 39.13 1gqj s ASN 244 CO 0.07 -0.05 2.16 0.15 -3.72 0.00 0.00 177.10 175.72 1gqj h PHE 245 N 8.35 0.00 -0.08 0.43 3.57 -1.88 -1.26 116.94 126.07 1gqj h PHE 245 Ca -0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1gqj h PHE 245 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1gqj h PHE 245 CO 0.75 0.05 0.00 0.09 -2.23 0.00 0.00 178.31 176.97 1gqj n ASN 246 N -4.07 1.21 -0.31 0.41 4.13 -1.26 -4.55 115.26 110.83 1gqj n ASN 246 Ca -0.03 -2.08 0.04 0.00 1.68 0.00 0.00 54.58 54.19 1gqj n ASN 246 Cb 0.13 -0.35 0.18 0.00 -1.54 0.00 0.00 39.78 38.21 1gqj n ASN 246 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1gqj h SER 247 N 0.55 0.72 -0.74 6.41 0.02 -1.64 -1.32 113.55 117.55 1gqj h SER 247 Ca 0.00 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1gqj h SER 247 Cb 0.48 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1gqj h SER 247 CO 0.04 0.40 0.49 -0.65 -1.14 0.00 0.00 176.83 175.97 1gqj h PRO 248 N 0.83 0.58 -0.06 3.45 0.11 -1.86 -1.38 132.00 133.66 1gqj h PRO 248 Ca 0.42 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.37 1gqj h PRO 248 Cb 0.40 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.38 1gqj h PRO 248 CO -0.25 0.38 -0.47 0.00 -0.21 0.00 0.00 178.00 177.45 1gqj h ARG 249 N 0.60 0.42 -0.37 1.05 3.08 -1.36 -2.10 114.38 115.69 1gqj h ARG 249 Ca 0.35 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1gqj h ARG 249 Cb 0.55 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1gqj h ARG 249 CO -0.12 1.02 0.17 0.00 -1.07 0.00 0.00 179.97 179.97 1gqj h ALA 250 N 0.40 1.60 -0.00 0.04 0.00 -0.68 -0.64 119.26 119.98 1gqj h ALA 250 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gqj h ALA 250 Cb 1.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1gqj h ALA 250 CO 0.09 0.32 -0.04 1.19 0.00 0.00 0.00 179.25 180.82 1gqj n PHE 251 N -4.41 0.00 -1.71 0.00 3.01 -0.58 -4.93 117.46 108.84 1gqj n PHE 251 Ca 0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.44 1gqj n PHE 251 Cb 0.12 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 39.17 1gqj n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqj n GLY 252 N 1.43 0.39 0.10 1.37 0.00 -0.25 -4.96 105.19 103.28 1gqj n GLY 252 Ca 0.09 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 1gqj n GLY 252 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gqj n ASP 253 N 1.23 0.27 -4.05 1.61 8.00 -0.82 -4.99 116.55 117.81 1gqj n ASP 253 Ca -0.05 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 1gqj n ASP 253 Cb 0.39 0.93 -0.11 0.00 -0.02 0.00 0.00 41.12 42.30 1gqj n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gqj s VAL 254 N -2.47 0.43 -1.97 2.53 1.01 -1.03 -5.03 120.40 113.87 1gqj s VAL 254 Ca -0.11 -1.10 0.10 0.00 0.00 0.00 0.00 61.98 60.87 1gqj s VAL 254 Cb 0.06 -0.60 0.30 0.00 0.00 0.00 0.00 36.38 36.13 1gqj s VAL 254 CO 0.79 -0.45 1.24 -0.90 0.00 0.00 0.00 175.10 175.78 1gqj n ASP 255 N 1.38 1.83 -3.95 3.32 5.68 -1.26 -3.74 116.55 119.81 1gqj n ASP 255 Ca -0.22 -2.01 -0.09 0.00 -0.50 0.00 0.00 54.79 51.97 1gqj n ASP 255 Cb 0.55 -0.23 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1gqj n ASP 255 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1gqj s THR 256 N -1.56 0.00 0.00 2.12 -1.32 -1.26 -5.04 115.64 108.59 1gqj s THR 256 Ca 0.22 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 1gqj s THR 256 Cb 0.12 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 1gqj s THR 256 CO 0.15 -0.01 0.90 0.00 -2.21 0.00 0.00 174.62 173.44 1gqj n ALA 257 N -0.40 1.96 -1.69 11.08 0.00 -1.26 -4.40 120.51 125.80 1gqj n ALA 257 Ca -0.03 -0.90 -0.52 0.00 0.00 0.00 0.00 53.44 51.99 1gqj n ALA 257 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 1gqj n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gqj n ASP 258 N -0.40 3.00 0.30 0.00 2.03 -1.26 -4.85 116.55 115.37 1gqj n ASP 258 Ca 0.00 1.02 0.20 0.00 0.52 0.00 0.00 54.79 56.53 1gqj n ASP 258 Cb 0.24 -1.27 0.98 0.00 -0.72 0.00 0.00 41.12 40.35 1gqj n ASP 258 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1gqj h PRO 259 N 8.37 0.00 -0.01 -0.67 0.13 -1.93 -2.24 132.00 135.66 1gqj h PRO 259 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1gqj h PRO 259 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1gqj h PRO 259 CO 0.95 0.00 -0.24 1.28 -0.23 0.00 0.00 178.00 179.76 1gqj n LEU 260 N -3.00 1.06 -4.68 1.56 4.77 -1.26 -4.53 117.00 110.91 1gqj n LEU 260 Ca -0.02 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1gqj n LEU 260 Cb 0.15 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1gqj n LEU 260 CO 0.22 0.20 0.80 -0.62 -1.33 0.00 0.00 177.39 176.65 1gqj s ASP 261 N -2.47 7.15 0.42 -1.43 -1.08 -0.84 -4.95 116.67 113.47 1gqj s ASP 261 Ca 0.25 1.42 0.15 0.00 -0.52 0.00 0.00 52.55 53.86 1gqj s ASP 261 Cb 0.19 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 40.16 1gqj s ASP 261 CO 0.51 -0.50 1.92 1.55 0.52 0.00 0.00 175.17 179.17 1gqj h PRO 262 N 7.24 0.41 -0.76 4.34 0.13 -1.88 -1.57 132.00 139.92 1gqj h PRO 262 Ca -0.27 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1gqj h PRO 262 Cb 1.12 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 1gqj h PRO 262 CO 0.89 0.27 0.34 0.00 -0.23 0.00 0.00 178.00 179.27 1gqj h ARG 263 N 0.42 1.10 -0.24 0.86 3.08 -1.94 -1.10 114.38 116.56 1gqj h ARG 263 Ca 0.37 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 1gqj h ARG 263 Cb 0.82 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1gqj h ARG 263 CO -0.12 0.86 -0.24 0.28 -1.07 0.00 0.00 179.97 179.68 1gqj h VAL 264 N 1.08 1.32 -0.87 2.04 2.07 -1.58 0.14 116.25 120.45 1gqj h VAL 264 Ca 0.26 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.43 1gqj h VAL 264 Cb 0.15 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1gqj h VAL 264 CO -0.03 0.44 0.54 1.56 0.02 0.00 0.00 177.57 180.11 1gqj h GLN 265 N 0.30 0.97 -0.20 1.57 4.20 -1.13 -2.42 115.11 118.39 1gqj h GLN 265 Ca 0.04 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.51 1gqj h GLN 265 Cb 0.80 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1gqj h GLN 265 CO 0.06 0.64 -0.60 0.37 -0.67 0.00 0.00 178.83 178.63 1gqj h GLN 266 N 1.00 0.67 -0.38 1.46 5.75 -1.05 -2.38 115.11 120.17 1gqj h GLN 266 Ca 0.38 -0.45 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1gqj h GLN 266 Cb 0.16 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1gqj h GLN 266 CO -0.17 1.07 0.18 2.35 -2.65 0.00 0.00 178.83 179.61 1gqj h TRP 267 N 0.50 0.33 -0.18 3.99 7.01 -0.50 0.30 115.95 127.41 1gqj h TRP 267 Ca -0.00 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.89 1gqj h TRP 267 Cb 1.18 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.13 1gqj h TRP 267 CO 0.06 0.17 -0.41 -1.49 -2.79 0.00 0.00 178.44 173.98 1gqj h TRP 268 N 0.37 0.49 -0.33 2.65 4.06 -1.44 0.34 115.95 122.09 1gqj h TRP 268 Ca 0.17 -0.14 -0.12 0.00 2.06 0.00 0.00 58.89 60.85 1gqj h TRP 268 Cb 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1gqj h TRP 268 CO -0.11 0.76 -0.27 -0.22 -3.56 0.00 0.00 178.44 175.04 1gqj h LYS 269 N 0.34 0.77 -0.53 0.49 3.64 -1.12 0.35 116.57 120.52 1gqj h LYS 269 Ca 0.03 -0.38 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 1gqj h LYS 269 Cb 0.87 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1gqj h LYS 269 CO 0.07 1.01 -0.03 1.15 -2.27 0.00 0.00 179.45 179.38 1gqj h THR 270 N 0.54 1.26 -0.51 1.00 2.02 -0.77 -2.16 112.91 114.29 1gqj h THR 270 Ca 0.06 -1.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.00 1gqj h THR 270 Cb 0.84 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1gqj h THR 270 CO 0.07 0.40 -0.15 -0.09 0.37 0.00 0.00 175.52 176.11 1gqj h ARG 271 N 0.84 0.99 -0.61 6.66 9.65 -0.84 -2.06 114.38 129.01 1gqj h ARG 271 Ca 0.15 -0.39 0.03 0.00 -1.10 0.00 0.00 59.98 58.67 1gqj h ARG 271 Cb 0.54 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 1gqj h ARG 271 CO 0.03 1.07 0.38 0.00 2.80 0.00 0.00 179.97 184.24 1gqj h ALA 272 N 0.94 0.79 -0.40 2.80 0.00 -0.75 0.53 119.26 123.17 1gqj h ALA 272 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1gqj h ALA 272 Cb 0.72 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1gqj h ALA 272 CO 0.06 0.12 0.17 1.96 0.00 0.00 0.00 179.25 181.55 1gqj h GLN 273 N 0.74 0.33 -0.24 0.00 4.20 -1.20 -0.63 115.11 118.32 1gqj h GLN 273 Ca 0.24 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.96 1gqj h GLN 273 Cb 0.01 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1gqj h GLN 273 CO -0.10 0.22 0.08 -0.22 -0.67 0.00 0.00 178.83 178.14 1gqj h LYS 274 N 0.34 0.19 -0.52 1.46 3.64 -0.71 -1.13 116.57 119.84 1gqj h LYS 274 Ca 0.18 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1gqj h LYS 274 Cb 0.14 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1gqj h LYS 274 CO -0.16 0.12 0.25 0.82 -2.27 0.00 0.00 179.45 178.21 1gqj h ILE 275 N 0.19 0.93 0.00 2.00 2.04 -0.38 -2.49 117.51 119.79 1gqj h ILE 275 Ca 0.10 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1gqj h ILE 275 Cb 0.07 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1gqj h ILE 275 CO -0.11 0.09 -0.03 1.88 0.00 0.00 0.00 178.15 179.98 1gqj h TYR 276 N 0.48 0.00 -0.02 1.37 0.05 -0.81 0.51 116.97 118.54 1gqj h TYR 276 Ca 0.24 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.91 1gqj h TYR 276 Cb 0.17 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1gqj h TYR 276 CO -0.11 0.03 -0.46 0.66 -1.05 0.00 0.00 178.16 177.23 1gqj h SER 277 N 0.00 0.06 0.18 3.88 4.64 -0.75 -2.75 113.55 118.81 1gqj h SER 277 Ca -0.00 -0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 60.94 1gqj h SER 277 Cb 0.67 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1gqj h SER 277 CO 0.00 0.51 -1.88 1.88 -0.87 0.00 0.00 176.83 176.48 1gqj h TYR 278 N 0.04 0.55 -2.92 4.77 0.05 -1.28 -3.44 116.97 114.75 1gqj h TYR 278 Ca -0.00 -0.40 -0.60 0.00 0.05 0.00 0.00 58.73 57.77 1gqj h TYR 278 Cb 0.83 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 38.15 1gqj h TYR 278 CO 0.00 1.70 -0.76 0.42 -1.05 0.00 0.00 178.16 178.48 1gqj s ILE 279 N -2.57 1.16 -0.57 -2.88 1.01 0.12 -4.87 121.20 112.59 1gqj s ILE 279 Ca -0.19 -2.37 0.21 0.00 0.00 0.00 0.00 60.65 58.30 1gqj s ILE 279 Cb 0.06 -1.82 0.21 0.00 0.01 0.00 0.00 42.46 40.93 1gqj s ILE 279 CO 0.81 -0.91 1.63 -2.65 0.00 0.00 0.00 174.94 173.82 1gqj n PRO 280 N 3.66 0.14 -0.61 2.79 -0.02 -1.04 -2.11 135.00 137.81 1gqj n PRO 280 Ca 0.09 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1gqj n PRO 280 Cb 0.35 -1.79 0.20 0.00 -0.02 0.00 0.00 33.50 32.24 1gqj n PRO 280 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1gqj n ASP 281 N -2.07 2.31 -4.64 2.55 5.75 -1.26 -5.02 116.55 114.17 1gqj n ASP 281 Ca 0.02 -3.67 -0.48 0.00 -0.01 0.00 0.00 54.79 50.65 1gqj n ASP 281 Cb 0.19 -0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 39.67 1gqj n ASP 281 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1gqj n PHE 282 N -1.11 1.99 -0.01 2.11 7.35 -0.90 -4.60 117.46 122.29 1gqj n PHE 282 Ca 0.25 0.42 -0.12 0.00 -0.76 0.00 0.00 57.45 57.24 1gqj n PHE 282 Cb 0.85 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 38.23 1gqj n PHE 282 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1gqj h GLY 283 N 5.12 0.72 0.00 7.13 0.00 -0.39 -3.42 103.07 112.23 1gqj h GLY 283 Ca -0.46 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 45.97 1gqj h GLY 283 CO 0.83 0.81 0.00 0.61 0.00 0.00 0.00 176.54 178.79 1gqj n GLY 284 N 0.43 0.83 3.36 4.60 0.00 -1.24 -1.38 105.19 111.79 1gqj n GLY 284 Ca -0.05 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1gqj n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gqj s PHE 285 N -3.36 2.40 -0.16 1.61 0.08 -0.58 -1.91 117.98 116.06 1gqj s PHE 285 Ca 0.00 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 1gqj s PHE 285 Cb 0.00 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 1gqj s PHE 285 CO 0.00 0.09 0.05 -1.17 -0.10 0.00 0.00 175.22 174.08 1gqj s LEU 286 N -0.97 3.76 -0.14 -0.37 2.96 -0.50 0.50 118.68 123.92 1gqj s LEU 286 Ca 0.11 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1gqj s LEU 286 Cb -0.10 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.70 1gqj s LEU 286 CO 0.01 0.23 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.54 1gqj s VAL 287 N 0.01 0.92 -0.38 1.68 1.01 0.09 -1.63 120.40 122.10 1gqj s VAL 287 Ca 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1gqj s VAL 287 Cb -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1gqj s VAL 287 CO 0.01 0.20 0.32 -0.75 0.00 0.00 0.00 175.10 174.88 1gqj s LYS 288 N 1.73 3.25 0.02 2.72 2.20 -1.26 -1.33 119.74 127.06 1gqj s LYS 288 Ca 0.03 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 1gqj s LYS 288 Cb -0.14 -3.90 -0.01 0.00 -1.51 0.00 0.00 37.83 32.27 1gqj s LYS 288 CO -0.08 -0.64 -0.08 0.00 -0.36 0.00 0.00 175.35 174.20 1gqj s ALA 289 N 1.83 0.65 -1.39 3.13 0.00 -1.26 -4.67 121.76 120.04 1gqj s ALA 289 Ca 0.08 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1gqj s ALA 289 Cb -0.18 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1gqj s ALA 289 CO 0.11 0.10 0.98 -0.25 0.00 0.00 0.00 175.76 176.70 1gqj n ASP 290 N 2.32 -4.03 -3.71 0.00 8.00 -0.79 -4.90 116.55 113.43 1gqj n ASP 290 Ca -0.17 -0.70 -0.13 0.00 0.71 0.00 0.00 54.79 54.50 1gqj n ASP 290 Cb 0.56 -4.40 -0.13 0.00 -0.02 0.00 0.00 41.12 37.13 1gqj n ASP 290 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1gqj s SER 291 N -3.70 -0.03 -1.46 -2.24 0.15 -1.23 -4.58 113.70 100.62 1gqj s SER 291 Ca 0.40 0.50 -0.10 0.00 0.70 0.00 0.00 55.95 57.45 1gqj s SER 291 Cb -0.19 0.44 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 1gqj s SER 291 CO 0.79 -0.19 0.77 -0.62 1.20 0.00 0.00 173.24 175.19 1gqj n GLU 292 N 4.58 -4.90 -0.98 5.44 1.02 -1.26 -0.68 120.64 123.86 1gqj n GLU 292 Ca -0.19 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1gqj n GLU 292 Cb 0.52 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 1gqj n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gqj n GLY 293 N -1.52 0.79 3.78 0.62 0.00 -1.26 -5.05 105.19 102.55 1gqj n GLY 293 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1gqj n GLY 293 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gqj s GLN 294 N -0.06 4.57 0.78 1.61 -1.52 0.15 -5.00 119.66 120.18 1gqj s GLN 294 Ca 0.00 1.34 -0.13 0.00 -1.95 0.00 0.00 55.36 54.62 1gqj s GLN 294 Cb 0.00 -2.79 0.07 0.00 -0.22 0.00 0.00 33.01 30.06 1gqj s GLN 294 CO 0.00 0.26 1.16 -2.14 -0.25 0.00 0.00 175.29 174.32 1gqj s PRO 295 N -2.06 1.92 0.06 2.91 0.02 -1.26 -1.89 135.00 134.70 1gqj s PRO 295 Ca 0.50 1.57 -0.26 0.00 0.02 0.00 0.00 61.00 62.83 1gqj s PRO 295 Cb -0.19 -1.83 0.09 0.00 0.02 0.00 0.00 34.50 32.59 1gqj s PRO 295 CO 0.24 -1.96 1.19 0.20 -0.33 0.00 0.00 177.00 176.34 1gqj s GLY 296 N -2.48 -0.04 0.32 0.52 0.00 -1.26 -2.93 107.32 101.44 1gqj s GLY 296 Ca 0.69 -0.09 0.05 0.00 0.00 0.00 0.00 44.72 45.37 1gqj s GLY 296 CO 0.50 4.26 1.86 -2.55 0.00 0.00 0.00 173.10 177.17 1gqj h PRO 297 N 2.00 0.83 0.00 2.90 0.11 -1.87 -1.28 132.00 134.69 1gqj h PRO 297 Ca -0.24 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1gqj h PRO 297 Cb 1.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1gqj h PRO 297 CO 0.33 0.55 -0.05 1.96 -0.21 0.00 0.00 178.00 180.59 1gqj h GLN 298 N 0.86 0.00 0.00 1.05 4.20 -1.80 0.29 115.11 119.70 1gqj h GLN 298 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1gqj h GLN 298 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1gqj h GLN 298 CO -0.22 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.39 1gqj n GLY 299 N -1.11 -0.75 0.07 3.46 0.00 -0.48 -1.61 105.19 104.77 1gqj n GLY 299 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1gqj n GLY 299 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqj n TYR 300 N -1.71 0.00 -2.07 1.61 4.01 0.85 -4.97 117.16 114.87 1gqj n TYR 300 Ca 0.01 -0.63 -0.17 0.00 -0.16 0.00 0.00 57.90 56.94 1gqj n TYR 300 Cb 0.06 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1gqj n TYR 300 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqj n GLY 301 N -0.82 0.31 3.86 2.72 0.00 -0.64 -5.02 105.19 105.61 1gqj n GLY 301 Ca 0.07 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1gqj n GLY 301 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj s ARG 302 N -4.43 2.64 0.50 1.61 1.81 -0.23 -4.95 118.95 115.91 1gqj s ARG 302 Ca 0.00 -1.40 0.09 0.00 -1.72 0.00 0.00 55.73 52.70 1gqj s ARG 302 Cb 0.00 -2.44 0.05 0.00 -0.45 0.00 0.00 34.95 32.11 1gqj s ARG 302 CO 0.00 -0.03 0.68 0.16 -0.68 0.00 0.00 175.30 175.42 1gqj s ASP 303 N -4.06 5.35 0.32 0.23 1.47 -1.26 -2.55 116.67 116.16 1gqj s ASP 303 Ca 0.44 -0.66 0.10 0.00 1.18 0.00 0.00 52.55 53.61 1gqj s ASP 303 Cb -0.05 -0.15 0.52 0.00 -0.34 0.00 0.00 42.92 42.91 1gqj s ASP 303 CO 0.27 -1.06 1.72 0.45 0.68 0.00 0.00 175.17 177.23 1gqj h HIS 304 N 0.41 0.11 -0.22 2.11 3.86 -1.96 -1.42 115.15 118.05 1gqj h HIS 304 Ca -0.35 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.82 1gqj h HIS 304 Cb 1.28 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1gqj h HIS 304 CO 0.43 0.53 0.10 0.00 0.86 0.00 0.00 177.93 179.85 1gqj h ALA 305 N 1.46 0.28 -0.97 2.45 0.00 -1.94 0.54 119.26 121.09 1gqj h ALA 305 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1gqj h ALA 305 Cb 0.83 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1gqj h ALA 305 CO 0.06 -0.14 0.64 0.93 0.00 0.00 0.00 179.25 180.74 1gqj h GLU 306 N 0.21 1.27 -0.03 0.00 5.08 -1.81 0.17 114.58 119.47 1gqj h GLU 306 Ca 0.07 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1gqj h GLU 306 Cb 0.14 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1gqj h GLU 306 CO -0.01 0.84 -0.11 0.78 -1.00 0.00 0.00 179.01 179.51 1gqj h GLY 307 N 1.31 0.14 0.99 -3.84 0.00 -1.13 -3.02 103.07 97.52 1gqj h GLY 307 Ca 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1gqj h GLY 307 CO -0.08 0.17 0.26 0.00 0.00 0.00 0.00 176.54 176.89 1gqj h ALA 308 N 0.39 0.74 -0.19 3.60 0.00 -0.69 -2.90 119.26 120.21 1gqj h ALA 308 Ca -0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1gqj h ALA 308 Cb 0.75 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1gqj h ALA 308 CO 0.02 0.32 -0.19 -0.91 0.00 0.00 0.00 179.25 178.50 1gqj h ASN 309 N 0.78 0.32 -0.22 0.00 2.35 -0.74 0.14 115.58 118.21 1gqj h ASN 309 Ca 0.20 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1gqj h ASN 309 Cb 0.14 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1gqj h ASN 309 CO -0.02 0.53 0.03 -0.03 -1.65 0.00 0.00 177.43 176.29 1gqj h MET 310 N 0.31 0.37 -0.70 0.81 4.05 -1.40 0.33 114.93 118.70 1gqj h MET 310 Ca 0.05 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1gqj h MET 310 Cb 0.51 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1gqj h MET 310 CO 0.03 0.53 0.35 -0.07 0.23 0.00 0.00 176.91 177.98 1gqj h LEU 311 N 0.17 0.90 -0.83 3.39 3.38 -1.31 -2.88 115.31 118.12 1gqj h LEU 311 Ca 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1gqj h LEU 311 Cb 0.34 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1gqj h LEU 311 CO 0.01 0.77 0.35 0.00 0.09 0.00 0.00 178.44 179.66 1gqj h ALA 312 N 1.17 1.07 -1.01 1.53 0.00 -0.77 -2.22 119.26 119.03 1gqj h ALA 312 Ca 0.24 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1gqj h ALA 312 Cb 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1gqj h ALA 312 CO -0.03 0.67 0.66 0.00 0.00 0.00 0.00 179.25 180.54 1gqj h ALA 313 N 1.20 1.37 -0.48 0.00 0.00 -0.22 0.81 119.26 121.95 1gqj h ALA 313 Ca 0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1gqj h ALA 313 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1gqj h ALA 313 CO -0.03 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.77 1gqj h ALA 314 N 1.44 1.21 0.00 0.00 0.00 -1.26 -3.23 119.26 117.42 1gqj h ALA 314 Ca 0.42 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1gqj h ALA 314 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1gqj h ALA 314 CO -0.15 0.53 -1.17 -0.07 0.00 0.00 0.00 179.25 178.39 1gqj h LEU 315 N 0.72 0.00 -0.72 0.00 3.38 -0.80 -3.41 115.31 114.48 1gqj h LEU 315 Ca 0.15 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.28 1gqj h LEU 315 Cb 0.36 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.99 1gqj h LEU 315 CO 0.01 0.58 0.09 0.50 0.09 0.00 0.00 178.44 179.71 1gqj h LYS 316 N 0.00 0.18 0.00 1.13 1.63 -0.87 -0.99 116.57 117.65 1gqj h LYS 316 Ca -0.12 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1gqj h LYS 316 Cb 1.55 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1gqj h LYS 316 CO 0.05 0.12 0.00 -1.35 -3.45 0.00 0.00 179.45 174.82 1gqj h PRO 317 N 0.18 0.00 -0.07 1.90 0.11 -1.79 -2.47 132.00 129.85 1gqj h PRO 317 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1gqj h PRO 317 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1gqj h PRO 317 CO -0.56 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.42 1gqj n PHE 318 N -2.91 0.06 -0.88 0.65 3.72 -0.45 -4.96 117.46 112.69 1gqj n PHE 318 Ca -0.01 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1gqj n PHE 318 Cb 0.20 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1gqj n PHE 318 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqj n GLY 319 N 1.32 0.54 3.91 1.37 0.00 -0.93 -4.93 105.19 106.46 1gqj n GLY 319 Ca 0.14 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1gqj n GLY 319 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqj s GLY 320 N -2.22 1.62 0.24 -0.02 0.00 -0.74 -4.98 107.32 101.22 1gqj s GLY 320 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.09 1gqj s GLY 320 CO 0.00 -0.37 -0.03 0.14 0.00 0.00 0.00 173.10 172.83 1gqj s VAL 321 N -3.07 1.26 -0.19 1.40 1.01 -0.48 -4.37 120.40 115.96 1gqj s VAL 321 Ca 0.55 -2.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.45 1gqj s VAL 321 Cb -0.11 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1gqj s VAL 321 CO 0.46 -0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 174.38 1gqj s VAL 322 N -3.27 2.76 -0.57 2.92 1.01 0.24 -1.52 120.40 121.97 1gqj s VAL 322 Ca 0.27 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1gqj s VAL 322 Cb 0.05 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1gqj s VAL 322 CO 0.09 0.48 0.76 -0.36 0.00 0.00 0.00 175.10 176.07 1gqj s PHE 323 N 1.30 2.92 -0.30 5.22 0.08 0.18 -0.46 117.98 126.93 1gqj s PHE 323 Ca 0.04 -0.63 -0.11 0.00 0.12 0.00 0.00 56.93 56.35 1gqj s PHE 323 Cb -0.14 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.36 1gqj s PHE 323 CO -0.07 -1.29 0.18 -0.46 -0.10 0.00 0.00 175.22 173.48 1gqj s TRP 324 N 3.09 3.19 0.22 0.36 -0.11 0.33 -0.74 118.94 125.30 1gqj s TRP 324 Ca 0.17 -0.16 -0.30 0.00 1.22 0.00 0.00 56.10 57.03 1gqj s TRP 324 Cb -0.20 -2.38 -0.09 0.00 -1.50 0.00 0.00 33.47 29.31 1gqj s TRP 324 CO 0.10 -0.29 0.99 1.03 -4.62 0.00 0.00 176.95 174.16 1gqj s ARG 325 N 1.70 4.77 0.00 5.86 0.52 -0.44 -0.29 118.95 131.08 1gqj s ARG 325 Ca 0.06 1.57 0.22 0.00 -0.52 0.00 0.00 55.73 57.06 1gqj s ARG 325 Cb -0.16 -3.28 0.59 0.00 0.52 0.00 0.00 34.95 32.62 1gqj s ARG 325 CO 0.09 0.37 1.47 0.00 0.02 0.00 0.00 175.30 177.25 1gqj n ALA 326 N 1.70 2.48 -1.08 2.13 0.00 0.34 -4.72 120.51 121.35 1gqj n ALA 326 Ca -0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1gqj n ALA 326 Cb 0.47 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 1gqj n ALA 326 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gqj n PHE 327 N 0.86 1.45 -4.51 0.00 7.35 -1.26 -4.72 117.46 116.62 1gqj n PHE 327 Ca 0.17 -1.40 -0.21 0.00 -0.76 0.00 0.00 57.45 55.26 1gqj n PHE 327 Cb 0.46 -1.58 -0.15 0.00 0.35 0.00 0.00 39.48 38.56 1gqj n PHE 327 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1gqj s VAL 328 N 6.45 0.94 -0.28 -2.13 1.01 -1.26 -4.81 120.40 120.32 1gqj s VAL 328 Ca 0.62 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1gqj s VAL 328 Cb 0.13 -0.79 0.11 0.00 0.00 0.00 0.00 36.38 35.82 1gqj s VAL 328 CO 0.18 0.24 0.85 -0.72 0.00 0.00 0.00 175.10 175.65 1gqj s TYR 329 N -0.33 -0.77 0.00 5.22 1.13 -1.26 -3.54 117.35 117.81 1gqj s TYR 329 Ca 0.04 1.61 0.00 0.00 -1.41 0.00 0.00 57.07 57.32 1gqj s TYR 329 Cb -0.05 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1gqj s TYR 329 CO -0.00 -0.38 0.06 -3.38 -2.51 0.00 0.00 175.55 169.34 1gqj s HIS 330 N 1.14 3.22 0.30 -3.49 -3.43 -1.26 -4.79 115.29 106.98 1gqj s HIS 330 Ca -0.06 0.16 0.36 0.00 -0.80 0.00 0.00 55.06 54.72 1gqj s HIS 330 Cb -0.05 -1.71 1.90 0.00 -1.43 0.00 0.00 32.58 31.29 1gqj s HIS 330 CO -0.13 0.53 2.10 -1.00 -2.00 0.00 0.00 174.74 174.23 1gqj h PRO 331 N 4.08 0.00 -0.46 -0.38 0.13 -2.01 -2.94 132.00 130.42 1gqj h PRO 331 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1gqj h PRO 331 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1gqj h PRO 331 CO 0.61 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 1gqj n ASP 332 N -2.79 4.11 -4.83 1.44 8.00 -1.26 -4.86 116.55 116.36 1gqj n ASP 332 Ca -0.02 -2.51 -0.32 0.00 0.71 0.00 0.00 54.79 52.65 1gqj n ASP 332 Cb 0.09 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 40.71 1gqj n ASP 332 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1gqj s ILE 333 N -1.95 4.24 0.19 0.53 -4.36 -1.11 -4.98 121.20 113.77 1gqj s ILE 333 Ca 0.42 0.87 -0.09 0.00 -0.26 0.00 0.00 60.65 61.59 1gqj s ILE 333 Cb 0.28 -3.57 0.11 0.00 1.25 0.00 0.00 42.46 40.54 1gqj s ILE 333 CO 0.18 -0.81 1.73 -0.08 0.24 0.00 0.00 174.94 176.19 1gqj h GLU 334 N -0.01 1.09 -2.60 0.37 4.81 -1.92 -3.43 114.58 112.90 1gqj h GLU 334 Ca -0.45 -0.24 -0.34 0.00 -0.13 0.00 0.00 59.36 58.20 1gqj h GLU 334 Cb 1.20 -0.16 -0.37 0.00 0.63 0.00 0.00 28.75 30.06 1gqj h GLU 334 CO 0.59 0.95 -0.64 0.34 -0.73 0.00 0.00 179.01 179.51 1gqj s ASP 335 N -6.36 1.52 0.45 1.04 2.15 -1.26 -5.02 116.67 109.19 1gqj s ASP 335 Ca -0.12 -0.28 0.19 0.00 0.43 0.00 0.00 52.55 52.77 1gqj s ASP 335 Cb 0.14 0.29 1.15 0.00 -0.30 0.00 0.00 42.92 44.20 1gqj s ASP 335 CO 0.83 -0.33 1.91 -0.09 -0.17 0.00 0.00 175.17 177.32 1gqj h ARG 336 N 8.33 0.31 -1.04 4.34 2.43 -1.93 -0.17 114.38 126.64 1gqj h ARG 336 Ca -0.17 -0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.26 1gqj h ARG 336 Cb 1.15 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 1gqj h ARG 336 CO 0.28 0.21 0.64 0.35 -1.51 0.00 0.00 179.97 179.94 1gqj h PHE 337 N 0.32 0.84 0.00 2.20 3.04 -1.96 -1.56 116.94 119.82 1gqj h PHE 337 Ca 0.39 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1gqj h PHE 337 Cb 1.05 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.32 1gqj h PHE 337 CO -0.00 0.01 -0.19 0.00 -2.02 0.00 0.00 178.31 176.11 1gqj h ARG 338 N 0.44 0.00 -0.18 1.11 3.08 -1.38 -3.42 114.38 114.03 1gqj h ARG 338 Ca 0.65 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.72 1gqj h ARG 338 Cb 1.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.51 1gqj h ARG 338 CO -0.42 0.00 -0.20 0.78 -1.07 0.00 0.00 179.97 179.06 1gqj h GLY 339 N 4.47 -1.69 0.99 0.04 0.00 -1.33 -1.95 103.07 103.60 1gqj h GLY 339 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 47.33 48.17 1gqj h GLY 339 CO 0.00 -0.54 0.33 0.00 0.00 0.00 0.00 176.54 176.33 1gqj h ALA 340 N -0.78 0.64 -0.39 3.60 0.00 -1.79 -0.67 119.26 119.88 1gqj h ALA 340 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gqj h ALA 340 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1gqj h ALA 340 CO -0.23 0.07 0.23 -0.92 0.00 0.00 0.00 179.25 178.40 1gqj h TYR 341 N 0.67 0.51 0.00 0.00 5.03 -1.86 -0.82 116.97 120.50 1gqj h TYR 341 Ca 0.19 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1gqj h TYR 341 Cb -0.06 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 1gqj h TYR 341 CO -0.04 0.37 -0.38 -0.44 -1.32 0.00 0.00 178.16 176.34 1gqj h ASP 342 N 0.51 0.00 -0.27 -2.11 3.32 -0.97 -1.44 116.42 115.46 1gqj h ASP 342 Ca 0.14 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1gqj h ASP 342 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1gqj h ASP 342 CO -0.03 0.38 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.40 1gqj h GLU 343 N 0.00 0.58 0.00 3.56 4.39 -0.66 -3.40 114.58 119.05 1gqj h GLU 343 Ca -0.00 -0.26 -0.26 0.00 0.34 0.00 0.00 59.36 59.17 1gqj h GLU 343 Cb 0.68 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 1gqj h GLU 343 CO 0.05 0.83 -2.21 1.19 -1.16 0.00 0.00 179.01 177.71 1gqj n PHE 344 N -4.42 0.00 -0.24 4.33 3.72 -0.36 -4.50 117.46 115.99 1gqj n PHE 344 Ca -0.04 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1gqj n PHE 344 Cb 0.37 -0.82 0.17 0.00 -0.94 0.00 0.00 39.48 38.26 1gqj n PHE 344 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1gqj h MET 345 N 0.00 0.33 0.00 -1.08 2.86 -1.48 -0.47 114.93 115.09 1gqj h MET 345 Ca -0.39 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1gqj h MET 345 Cb 1.86 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1gqj h MET 345 CO 0.02 0.22 0.00 -2.30 1.06 0.00 0.00 176.91 175.91 1gqj n PRO 346 N -5.09 0.08 -0.13 -0.22 -0.02 -1.26 -2.08 135.00 126.29 1gqj n PRO 346 Ca 0.13 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 1gqj n PRO 346 Cb 0.41 -1.73 0.17 0.00 -0.02 0.00 0.00 33.50 32.33 1gqj n PRO 346 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gqj n LEU 347 N -1.89 3.16 -4.70 2.45 4.77 -0.20 -4.95 117.00 115.64 1gqj n LEU 347 Ca 0.00 -1.38 -0.42 0.00 -0.03 0.00 0.00 56.01 54.18 1gqj n LEU 347 Cb 0.07 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1gqj n LEU 347 CO 0.08 0.65 1.41 -0.62 -1.33 0.00 0.00 177.39 177.58 1gqj s ASP 348 N -1.48 6.43 0.00 -1.43 2.15 -0.88 -0.71 116.67 120.74 1gqj s ASP 348 Ca 0.32 2.77 0.00 0.00 0.43 0.00 0.00 52.55 56.07 1gqj s ASP 348 Cb 0.20 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1gqj s ASP 348 CO 0.28 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 1gqj n GLY 349 N 4.09 1.48 0.53 2.66 0.00 -1.21 -4.90 105.19 107.84 1gqj n GLY 349 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1gqj n GLY 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gqj n LYS 350 N -2.00 1.50 -3.53 1.61 4.76 0.11 -4.91 118.16 115.71 1gqj n LYS 350 Ca 0.00 -1.06 -0.36 0.00 -2.87 0.00 0.00 58.31 54.02 1gqj n LYS 350 Cb 0.00 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.66 1gqj n LYS 350 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1gqj s PHE 351 N -2.23 3.62 0.79 2.13 0.08 -1.26 -4.86 117.98 116.26 1gqj s PHE 351 Ca 0.28 0.88 -0.12 0.00 0.12 0.00 0.00 56.93 58.09 1gqj s PHE 351 Cb 0.20 -2.22 0.07 0.00 -0.57 0.00 0.00 43.02 40.50 1gqj s PHE 351 CO 0.42 0.54 1.15 0.00 -0.10 0.00 0.00 175.22 177.23 1gqj s ALA 352 N -1.33 1.98 0.60 5.36 0.00 -1.26 -4.92 121.76 122.20 1gqj s ALA 352 Ca 0.31 0.62 0.40 0.00 0.00 0.00 0.00 51.96 53.30 1gqj s ALA 352 Cb -0.15 -3.41 2.20 0.00 0.00 0.00 0.00 23.12 21.77 1gqj s ALA 352 CO 0.17 -2.07 2.31 -0.44 0.00 0.00 0.00 175.76 175.74 1gqj h ASP 353 N -0.94 0.00 -0.49 0.00 3.32 -1.99 -1.27 116.42 115.06 1gqj h ASP 353 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1gqj h ASP 353 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1gqj h ASP 353 CO 0.48 0.01 0.00 -0.46 -1.72 0.00 0.00 179.24 177.55 1gqj n ASN 354 N -3.26 5.18 -4.55 6.45 6.94 -1.26 -4.80 115.26 119.95 1gqj n ASN 354 Ca -0.03 -2.93 -0.34 0.00 -0.02 0.00 0.00 54.58 51.27 1gqj n ASN 354 Cb 0.10 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.76 1gqj n ASN 354 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gqj s VAL 355 N -2.72 4.14 -0.10 3.53 1.01 -0.48 -0.59 120.40 125.19 1gqj s VAL 355 Ca 0.51 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1gqj s VAL 355 Cb 0.39 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1gqj s VAL 355 CO 0.15 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.88 1gqj s ILE 356 N 0.19 2.04 -0.27 2.22 1.01 0.39 -4.27 121.20 122.51 1gqj s ILE 356 Ca -0.00 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.40 1gqj s ILE 356 Cb -0.13 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1gqj s ILE 356 CO 0.02 0.55 0.86 -0.22 0.00 0.00 0.00 174.94 176.16 1gqj s LEU 357 N 0.41 4.07 -0.39 2.97 2.96 -0.17 -0.51 118.68 128.02 1gqj s LEU 357 Ca -0.17 0.95 -0.17 0.00 -0.22 0.00 0.00 54.13 54.52 1gqj s LEU 357 Cb -0.18 -3.22 0.01 0.00 0.50 0.00 0.00 46.19 43.30 1gqj s LEU 357 CO 0.07 -0.60 0.44 -1.58 -1.32 0.00 0.00 176.35 173.36 1gqj s GLN 358 N 3.00 3.32 -0.12 1.98 0.74 0.61 -0.47 119.66 128.72 1gqj s GLN 358 Ca 0.36 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 55.24 1gqj s GLN 358 Cb -0.15 -3.90 -0.00 0.00 1.10 0.00 0.00 33.01 30.07 1gqj s GLN 358 CO 0.10 -0.73 -0.20 0.42 -0.55 0.00 0.00 175.29 174.32 1gqj s ILE 359 N 2.17 2.38 0.75 -2.34 1.01 0.21 -0.51 121.20 124.88 1gqj s ILE 359 Ca 0.13 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 1gqj s ILE 359 Cb -0.17 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.40 1gqj s ILE 359 CO 0.13 0.54 1.22 -0.54 0.00 0.00 0.00 174.94 176.30 1gqj s LYS 360 N 0.49 1.98 0.52 2.79 1.02 -1.26 0.12 119.74 125.40 1gqj s LYS 360 Ca -0.13 1.81 0.21 0.00 0.02 0.00 0.00 55.97 57.88 1gqj s LYS 360 Cb -0.17 -1.81 1.34 0.00 -0.52 0.00 0.00 37.83 36.67 1gqj s LYS 360 CO 0.05 -1.97 2.06 -2.95 -0.92 0.00 0.00 175.35 171.63 1gqj h ASN 361 N -0.43 0.00 -4.30 2.83 -1.07 -1.89 -3.42 115.58 107.31 1gqj h ASN 361 Ca -0.48 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 55.54 1gqj h ASN 361 Cb 1.30 -0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 37.41 1gqj h ASN 361 CO 0.49 0.00 -0.63 -0.83 0.07 0.00 0.00 177.43 176.53 1gqj s GLY 362 N -4.03 1.68 0.00 9.14 0.00 -1.26 -1.00 107.32 111.85 1gqj s GLY 362 Ca -0.05 -1.84 0.26 0.00 0.00 0.00 0.00 44.72 43.09 1gqj s GLY 362 CO 0.71 -1.62 1.85 -1.55 0.00 0.00 0.00 173.10 172.49 1gqj n PRO 363 N -0.45 0.06 0.00 2.90 -0.04 -1.26 -4.62 135.00 131.58 1gqj n PRO 363 Ca -0.02 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1gqj n PRO 363 Cb 0.66 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1gqj n PRO 363 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gqj n ILE 364 N -1.47 0.00 -2.72 0.52 2.08 -1.26 -4.70 119.36 111.82 1gqj n ILE 364 Ca 0.07 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.34 1gqj n ILE 364 Cb 0.29 -0.30 0.03 0.00 -0.75 0.00 0.00 39.64 38.91 1gqj n ILE 364 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1gqj n ASP 365 N 0.00 -2.43 -2.30 4.38 2.03 -1.26 -5.00 116.55 111.97 1gqj n ASP 365 Ca 0.00 -2.15 -0.15 0.00 0.52 0.00 0.00 54.79 53.00 1gqj n ASP 365 Cb 0.00 1.29 -0.01 0.00 -0.72 0.00 0.00 41.12 41.67 1gqj n ASP 365 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1gqj n PHE 366 N 2.47 -1.14 -1.63 -0.67 3.72 -1.26 -4.93 117.46 114.01 1gqj n PHE 366 Ca 0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.19 1gqj n PHE 366 Cb 0.62 -3.12 0.07 0.00 -0.94 0.00 0.00 39.48 36.10 1gqj n PHE 366 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1gqj s GLN 367 N -4.80 2.52 0.51 -1.08 -1.52 -1.26 -4.79 119.66 109.24 1gqj s GLN 367 Ca 0.00 1.56 0.30 0.00 -1.95 0.00 0.00 55.36 55.27 1gqj s GLN 367 Cb 0.00 -1.90 1.42 0.00 -0.22 0.00 0.00 33.01 32.31 1gqj s GLN 367 CO 0.00 -1.50 1.85 -1.35 -0.25 0.00 0.00 175.29 174.05 1gqj h PRO 368 N -0.08 0.08 -3.29 2.91 0.11 -1.92 -3.34 132.00 126.46 1gqj h PRO 368 Ca -0.47 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 1gqj h PRO 368 Cb 1.27 -0.02 -0.32 0.00 0.11 0.00 0.00 31.00 32.04 1gqj h PRO 368 CO 0.52 0.05 -0.62 0.50 -0.21 0.00 0.00 178.00 178.24 1gqj s ARG 369 N -5.07 0.07 0.04 1.05 3.52 -1.26 -4.88 118.95 112.42 1gqj s ARG 369 Ca -0.06 0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.92 1gqj s ARG 369 Cb 0.22 -0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 1gqj s ARG 369 CO 0.78 -0.17 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.79 1gqj s GLU 370 N 1.17 0.69 0.85 5.12 2.02 -1.26 -4.98 118.70 122.31 1gqj s GLU 370 Ca -0.09 -0.74 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 1gqj s GLU 370 Cb -0.12 -0.60 0.10 0.00 0.10 0.00 0.00 34.13 33.61 1gqj s GLU 370 CO -0.06 0.14 1.09 -1.25 0.02 0.00 0.00 175.26 175.20 1gqj s PRO 371 N -1.33 1.64 0.50 0.39 0.04 -1.26 -4.86 135.00 130.13 1gqj s PRO 371 Ca -0.04 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 61.76 1gqj s PRO 371 Cb -0.08 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1gqj s PRO 371 CO 0.01 -2.02 1.31 -0.59 0.04 0.00 0.00 177.00 175.75 1gqj s PHE 372 N -2.91 2.50 0.03 0.56 -0.12 -1.26 -4.19 117.98 112.59 1gqj s PHE 372 Ca 0.63 1.41 -0.30 0.00 -0.05 0.00 0.00 56.93 58.62 1gqj s PHE 372 Cb -0.18 -3.69 -0.09 0.00 -0.63 0.00 0.00 43.02 38.44 1gqj s PHE 372 CO 0.57 -2.46 1.93 -1.12 -0.05 0.00 0.00 175.22 174.09 1gqj s SER 373 N -1.01 6.47 0.53 1.98 0.01 -0.17 -4.70 113.70 116.80 1gqj s SER 373 Ca 0.67 2.64 0.21 0.00 1.31 0.00 0.00 55.95 60.78 1gqj s SER 373 Cb -0.37 -2.53 1.34 0.00 0.21 0.00 0.00 66.02 64.66 1gqj s SER 373 CO 0.45 -1.04 2.07 0.00 0.41 0.00 0.00 173.24 175.14 1gqj h ALA 374 N 10.34 2.25 -0.82 1.44 0.00 -1.91 -1.88 119.26 128.68 1gqj h ALA 374 Ca -0.48 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.58 1gqj h ALA 374 Cb 1.23 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1gqj h ALA 374 CO 0.94 -0.33 0.54 -0.07 0.00 0.00 0.00 179.25 180.33 1gqj h LEU 375 N 0.00 0.44 -1.32 0.00 3.38 -1.89 -1.43 115.31 114.49 1gqj h LEU 375 Ca 0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1gqj h LEU 375 Cb 0.51 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1gqj h LEU 375 CO -0.00 0.22 0.47 -0.26 0.09 0.00 0.00 178.44 178.96 1gqj h PHE 376 N 0.46 0.85 -0.00 1.13 0.04 -1.71 -1.69 116.94 116.03 1gqj h PHE 376 Ca 0.41 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.20 1gqj h PHE 376 Cb 0.91 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1gqj h PHE 376 CO -0.00 0.51 -0.54 0.00 -0.60 0.00 0.00 178.31 177.68 1gqj n ALA 377 N -2.43 3.66 -0.08 2.45 0.00 -0.59 -4.43 120.51 119.09 1gqj n ALA 377 Ca 0.08 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1gqj n ALA 377 Cb 0.09 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1gqj n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqj n GLY 378 N 1.48 -0.69 3.60 0.00 0.00 -0.92 -4.84 105.19 103.82 1gqj n GLY 378 Ca 0.06 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1gqj n GLY 378 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gqj s MET 379 N -2.39 3.81 0.00 1.61 -1.94 -0.67 -4.90 119.30 114.81 1gqj s MET 379 Ca -0.12 0.50 0.13 0.00 -1.71 0.00 0.00 55.69 54.49 1gqj s MET 379 Cb 0.05 -3.81 -0.08 0.00 2.01 0.00 0.00 34.83 33.01 1gqj s MET 379 CO 0.62 -0.93 0.61 -1.13 -0.01 0.00 0.00 175.02 174.18 1gqj n SER 380 N 6.69 0.93 -0.64 3.03 3.41 -1.26 -4.60 113.62 121.17 1gqj n SER 380 Ca 0.06 -0.96 0.04 0.00 -0.26 0.00 0.00 58.87 57.75 1gqj n SER 380 Cb 0.48 0.78 0.07 0.00 -0.26 0.00 0.00 64.21 65.28 1gqj n SER 380 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gqj n ARG 381 N -0.84 0.57 -4.25 4.33 1.74 -1.26 -4.84 116.66 112.11 1gqj n ARG 381 Ca 0.04 -1.99 -0.17 0.00 -0.77 0.00 0.00 57.85 54.95 1gqj n ARG 381 Cb 0.23 -0.81 -0.15 0.00 -1.02 0.00 0.00 32.46 30.71 1gqj n ARG 381 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1gqj s THR 382 N -1.22 0.55 0.28 0.55 2.01 -1.26 -3.34 115.64 113.20 1gqj s THR 382 Ca 0.22 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 1gqj s THR 382 Cb 0.22 -0.47 -0.10 0.00 0.01 0.00 0.00 72.50 72.16 1gqj s THR 382 CO -0.04 0.16 1.32 0.20 -0.69 0.00 0.00 174.62 175.56 1gqj s ASN 383 N -0.10 6.82 0.11 3.53 0.01 -1.26 -4.95 114.94 119.10 1gqj s ASN 383 Ca 0.02 2.57 0.05 0.00 -0.71 0.00 0.00 52.86 54.79 1gqj s ASN 383 Cb -0.03 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 1gqj s ASN 383 CO -0.00 -0.53 -0.13 -0.04 -1.51 0.00 0.00 177.10 174.88 1gqj s MET 384 N -1.04 0.97 0.05 -0.60 -1.94 -1.26 -1.00 119.30 114.48 1gqj s MET 384 Ca 0.53 -1.19 -0.09 0.00 -1.71 0.00 0.00 55.69 53.23 1gqj s MET 384 Cb -0.39 -0.83 -0.00 0.00 2.01 0.00 0.00 34.83 35.62 1gqj s MET 384 CO 0.46 0.16 0.17 0.00 -0.01 0.00 0.00 175.02 175.81 1gqj s MET 385 N -2.56 0.71 0.11 2.03 0.23 0.38 -4.05 119.30 116.15 1gqj s MET 385 Ca 0.07 -0.73 -0.19 0.00 -1.03 0.00 0.00 55.69 53.81 1gqj s MET 385 Cb -0.05 0.29 -0.07 0.00 -1.53 0.00 0.00 34.83 33.47 1gqj s MET 385 CO 0.02 -0.20 0.60 1.41 -2.03 0.00 0.00 175.02 174.82 1gqj s MET 386 N -2.89 4.19 -0.22 3.16 1.75 -1.02 -0.62 119.30 123.65 1gqj s MET 386 Ca -0.03 0.74 -0.00 0.00 -1.25 0.00 0.00 55.69 55.15 1gqj s MET 386 Cb 0.00 -3.13 0.02 0.00 2.84 0.00 0.00 34.83 34.57 1gqj s MET 386 CO -0.06 0.57 -0.11 -2.00 -0.65 0.00 0.00 175.02 172.77 1gqj s GLU 387 N -1.39 2.88 0.18 4.11 2.12 0.12 0.46 118.70 127.17 1gqj s GLU 387 Ca 0.33 -0.93 0.09 0.00 0.36 0.00 0.00 54.97 54.81 1gqj s GLU 387 Cb -0.19 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 1gqj s GLU 387 CO 0.20 -0.33 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.44 1gqj s PHE 388 N 1.30 2.66 -0.15 5.30 2.99 -0.46 -2.50 117.98 127.12 1gqj s PHE 388 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 56.93 56.70 1gqj s PHE 388 Cb -0.16 -1.30 -0.02 0.00 0.00 0.00 0.00 43.02 41.54 1gqj s PHE 388 CO -0.07 0.51 -0.06 -1.14 -0.00 0.00 0.00 175.22 174.46 1gqj s GLN 389 N -2.83 3.61 -0.22 0.44 0.74 -1.26 -0.95 119.66 119.19 1gqj s GLN 389 Ca 0.25 -0.55 -0.08 0.00 0.05 0.00 0.00 55.36 55.02 1gqj s GLN 389 Cb -0.09 -2.85 -0.10 0.00 1.10 0.00 0.00 33.01 31.07 1gqj s GLN 389 CO 0.16 0.24 -0.26 -0.89 -0.55 0.00 0.00 175.29 173.98 1gqj n ILE 390 N 3.52 1.19 -1.71 -2.34 -0.00 0.04 -4.89 119.36 115.17 1gqj n ILE 390 Ca -0.18 -0.34 -0.42 0.00 -0.00 0.00 0.00 62.75 61.82 1gqj n ILE 390 Cb 0.53 -1.67 -0.01 0.00 -0.00 0.00 0.00 39.64 38.49 1gqj n ILE 390 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1gqj n THR 391 N -3.79 1.88 -1.95 1.39 5.66 -0.75 -4.85 114.28 111.88 1gqj n THR 391 Ca -0.41 -0.47 -0.40 0.00 -3.05 0.00 0.00 64.05 59.72 1gqj n THR 391 Cb 0.82 -1.64 -0.01 0.00 -1.55 0.00 0.00 70.33 67.95 1gqj n THR 391 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gqj n GLN 392 N 0.72 4.50 -0.34 1.09 6.02 -1.26 -4.65 117.38 123.46 1gqj n GLN 392 Ca 0.05 -3.36 0.06 0.00 -0.01 0.00 0.00 57.00 53.74 1gqj n GLN 392 Cb 0.36 -2.65 0.24 0.00 1.02 0.00 0.00 30.24 29.21 1gqj n GLN 392 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1gqj h GLU 393 N 4.67 0.98 -0.04 -1.09 4.81 -1.88 0.85 114.58 122.86 1gqj h GLU 393 Ca 0.71 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 1gqj h GLU 393 Cb 0.31 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1gqj h GLU 393 CO 1.51 0.65 0.00 0.66 -0.73 0.00 0.00 179.01 181.09 1gqj n TYR 394 N -4.56 0.05 -1.12 0.92 4.01 -1.26 -4.55 117.16 110.65 1gqj n TYR 394 Ca 0.17 -0.14 0.09 0.00 -0.16 0.00 0.00 57.90 57.87 1gqj n TYR 394 Cb 0.30 -0.01 0.16 0.00 -0.31 0.00 0.00 39.34 39.48 1gqj n TYR 394 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1gqj n PHE 395 N 0.17 0.12 -0.32 -0.72 3.72 -1.14 -4.80 117.46 114.50 1gqj n PHE 395 Ca 0.03 -1.04 0.00 0.00 -0.05 0.00 0.00 57.45 56.39 1gqj n PHE 395 Cb 0.17 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1gqj n PHE 395 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqj n GLY 396 N -1.30 1.57 7.00 1.37 0.00 -1.14 -4.57 105.19 108.12 1gqj n GLY 396 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1gqj n GLY 396 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gqj n PHE 397 N -1.64 0.00 -0.43 1.61 3.01 0.28 -2.08 117.46 118.21 1gqj n PHE 397 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1gqj n PHE 397 Cb 0.07 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.76 1gqj n PHE 397 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gqj n ALA 398 N 11.97 2.49 0.13 4.37 0.00 -1.26 -4.38 120.51 133.83 1gqj n ALA 398 Ca 0.00 -1.47 0.05 0.00 0.00 0.00 0.00 53.44 52.02 1gqj n ALA 398 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 1gqj n ALA 398 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gqj n THR 399 N 0.47 0.00 -4.30 0.00 -2.24 -0.88 -4.03 114.28 103.29 1gqj n THR 399 Ca 0.17 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 1gqj n THR 399 Cb 0.61 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 1gqj n THR 399 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1gqj s HIS 400 N -2.52 3.21 -0.32 4.78 3.76 -1.08 -4.05 115.29 119.06 1gqj s HIS 400 Ca -0.02 0.22 -0.26 0.00 -0.15 0.00 0.00 55.06 54.86 1gqj s HIS 400 Cb 0.07 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.98 1gqj s HIS 400 CO 0.44 0.50 0.91 -1.17 -0.85 0.00 0.00 174.74 174.57 1gqj s LEU 401 N -0.99 4.02 -0.47 0.89 0.20 -1.26 -4.87 118.68 116.20 1gqj s LEU 401 Ca 0.14 0.78 0.06 0.00 0.69 0.00 0.00 54.13 55.80 1gqj s LEU 401 Cb -0.11 -3.27 0.18 0.00 -0.43 0.00 0.00 46.19 42.55 1gqj s LEU 401 CO 0.04 -0.76 0.57 0.00 -0.29 0.00 0.00 176.35 175.91 1gqj s ALA 402 N 3.30 -0.67 0.09 5.97 0.00 -1.26 -4.78 121.76 124.40 1gqj s ALA 402 Ca 0.38 -1.25 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 1gqj s ALA 402 Cb -0.13 -2.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.64 1gqj s ALA 402 CO 0.15 -2.13 1.90 0.98 0.00 0.00 0.00 175.76 176.66 1gqj n TYR 403 N 2.92 2.59 1.20 0.00 9.36 -1.26 -4.86 117.16 127.11 1gqj n TYR 403 Ca 0.23 -0.26 0.13 0.00 3.32 0.00 0.00 57.90 61.32 1gqj n TYR 403 Cb 0.53 -2.77 0.34 0.00 -0.63 0.00 0.00 39.34 36.81 1gqj n TYR 403 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1gqj n GLN 404 N 6.45 0.72 -0.36 2.98 1.13 -1.26 -4.13 117.38 122.91 1gqj n GLN 404 Ca 0.19 -0.43 0.02 0.00 -1.94 0.00 0.00 57.00 54.84 1gqj n GLN 404 Cb 0.39 -1.49 0.09 0.00 0.11 0.00 0.00 30.24 29.33 1gqj n GLN 404 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1gqj h GLY 405 N 4.93 0.38 1.64 1.08 0.00 -1.88 -1.16 103.07 108.07 1gqj h GLY 405 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1gqj h GLY 405 CO 0.00 -0.29 0.12 -2.55 0.00 0.00 0.00 176.54 173.82 1gqj h PRO 406 N -0.01 0.47 -0.17 4.80 0.11 -1.91 -0.06 132.00 135.23 1gqj h PRO 406 Ca 0.40 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.44 1gqj h PRO 406 Cb 0.65 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1gqj h PRO 406 CO -0.98 0.40 0.05 1.25 -0.21 0.00 0.00 178.00 178.51 1gqj h LEU 407 N 0.47 0.26 -0.13 2.35 6.46 -1.53 -0.66 115.31 122.52 1gqj h LEU 407 Ca 0.12 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 1gqj h LEU 407 Cb 0.12 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1gqj h LEU 407 CO -0.01 0.41 0.02 -0.26 -0.62 0.00 0.00 178.44 177.98 1gqj h PHE 408 N 0.10 0.23 -0.45 1.25 0.04 -1.12 -1.53 116.94 115.46 1gqj h PHE 408 Ca 0.06 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.82 1gqj h PHE 408 Cb 0.24 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1gqj h PHE 408 CO 0.00 0.40 0.25 1.49 -0.60 0.00 0.00 178.31 179.86 1gqj h GLU 409 N -0.00 0.49 -0.48 1.51 4.81 -1.02 -0.31 114.58 119.59 1gqj h GLU 409 Ca 0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1gqj h GLU 409 Cb 0.30 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1gqj h GLU 409 CO 0.00 0.33 0.21 1.49 -0.73 0.00 0.00 179.01 180.31 1gqj h GLU 410 N 0.51 0.41 0.51 1.92 4.81 -0.97 0.63 114.58 122.40 1gqj h GLU 410 Ca 0.18 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1gqj h GLU 410 Cb 0.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1gqj h GLU 410 CO -0.10 0.27 -0.24 0.77 -0.73 0.00 0.00 179.01 178.98 1gqj h SER 411 N 0.42 -0.58 -0.02 1.04 0.02 -0.98 -2.85 113.55 110.60 1gqj h SER 411 Ca 0.21 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1gqj h SER 411 Cb 0.16 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1gqj h SER 411 CO -0.18 -0.38 -0.11 -0.07 -1.14 0.00 0.00 176.83 174.95 1gqj h LEU 412 N -0.72 0.28 -1.14 5.07 3.38 -0.67 -1.98 115.31 119.53 1gqj h LEU 412 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gqj h LEU 412 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1gqj h LEU 412 CO 0.11 0.43 0.00 0.29 0.09 0.00 0.00 178.44 179.37 1gqj n LYS 413 N -4.27 1.74 -2.16 1.13 5.02 0.18 -1.18 118.16 118.62 1gqj n LYS 413 Ca -0.00 -1.12 -0.42 0.00 -2.02 0.00 0.00 58.31 54.74 1gqj n LYS 413 Cb 0.27 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1gqj n LYS 413 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gqj s THR 414 N -1.73 3.77 -0.09 -0.18 2.01 -0.74 -4.85 115.64 113.83 1gqj s THR 414 Ca 0.30 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 1gqj s THR 414 Cb 0.16 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1gqj s THR 414 CO 0.24 -0.06 1.35 -0.70 -0.69 0.00 0.00 174.62 174.76 1gqj s GLU 415 N 3.44 4.25 -0.02 4.92 2.56 -1.26 -1.92 118.70 130.67 1gqj s GLU 415 Ca 0.66 1.83 0.21 0.00 0.00 0.00 0.00 54.97 57.67 1gqj s GLU 415 Cb -0.30 -3.73 -0.28 0.00 2.00 0.00 0.00 34.13 31.82 1gqj s GLU 415 CO 0.25 -0.66 0.51 0.25 -0.56 0.00 0.00 175.26 175.05 1gqj n THR 416 N 5.12 0.30 -2.11 -1.70 -2.24 -0.62 -4.98 114.28 108.04 1gqj n THR 416 Ca 0.14 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 1gqj n THR 416 Cb 0.44 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1gqj n THR 416 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gqj n HIS 417 N -2.40 -0.63 -0.22 4.78 -0.00 -1.25 -4.60 115.22 110.90 1gqj n HIS 417 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.58 1gqj n HIS 417 Cb 0.65 -3.61 0.04 0.00 -0.00 0.00 0.00 29.99 27.07 1gqj n HIS 417 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gqj h ALA 418 N 0.63 0.80 -1.37 -1.41 0.00 -1.88 -3.35 119.26 112.67 1gqj h ALA 418 Ca -0.44 -0.09 -0.44 0.00 0.00 0.00 0.00 54.91 53.94 1gqj h ALA 418 Cb 1.32 -0.25 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 1gqj h ALA 418 CO 0.56 0.30 -0.87 -2.13 0.00 0.00 0.00 179.25 177.10 1gqj n ARG 419 N -4.58 0.67 0.00 0.00 0.63 -1.26 -5.07 116.66 107.05 1gqj n ARG 419 Ca 0.04 -2.69 0.00 0.00 -0.92 0.00 0.00 57.85 54.28 1gqj n ARG 419 Cb 0.07 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1gqj n ARG 419 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gqj n GLY 420 N 1.72 -1.12 3.76 5.14 0.00 -1.26 -4.71 105.19 108.72 1gqj n GLY 420 Ca 0.18 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1gqj n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqj s GLU 421 N -1.30 3.29 0.00 1.61 2.02 -1.26 -3.11 118.70 119.95 1gqj s GLU 421 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 54.97 56.85 1gqj s GLU 421 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1gqj s GLU 421 CO 0.00 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1gqj n GLY 422 N 0.49 0.75 2.30 -1.39 0.00 -1.26 -4.96 105.19 101.12 1gqj n GLY 422 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1gqj n GLY 422 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqj n SER 423 N 0.00 7.26 -4.79 1.61 7.64 -1.18 -4.77 113.62 119.39 1gqj n SER 423 Ca 0.00 -2.79 -0.32 0.00 1.01 0.00 0.00 58.87 56.77 1gqj n SER 423 Cb 0.00 -1.42 0.06 0.00 -1.01 0.00 0.00 64.21 61.84 1gqj n SER 423 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1gqj s THR 424 N 0.31 3.53 0.22 0.44 -4.23 -1.26 -1.59 115.64 113.05 1gqj s THR 424 Ca 0.64 0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 61.66 1gqj s THR 424 Cb 0.25 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 71.11 1gqj s THR 424 CO -0.08 -0.56 1.76 0.40 -0.54 0.00 0.00 174.62 175.60 1gqj h ILE 425 N -0.47 0.80 -0.50 2.99 1.08 -1.43 0.13 117.51 120.11 1gqj h ILE 425 Ca -0.45 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 1gqj h ILE 425 Cb 1.23 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 1gqj h ILE 425 CO 0.54 0.09 0.23 1.23 -0.69 0.00 0.00 178.15 179.55 1gqj h GLY 426 N 0.49 0.70 1.57 5.37 0.00 -1.41 0.22 103.07 110.00 1gqj h GLY 426 Ca 0.33 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 1gqj h GLY 426 CO -0.29 0.08 -0.28 3.43 0.00 0.00 0.00 176.54 179.48 1gqj h ASN 427 N 0.45 0.51 0.01 0.19 2.35 -1.59 -0.32 115.58 117.19 1gqj h ASN 427 Ca 0.23 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1gqj h ASN 427 Cb 0.17 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1gqj h ASN 427 CO -0.18 0.77 -0.01 0.40 -1.65 0.00 0.00 177.43 176.76 1gqj h ILE 428 N 0.44 1.20 -0.99 2.81 2.04 -0.23 -2.92 117.51 119.86 1gqj h ILE 428 Ca 0.06 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1gqj h ILE 428 Cb 0.71 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 1gqj h ILE 428 CO 0.05 0.17 0.64 -0.07 0.00 0.00 0.00 178.15 178.94 1gqj h LEU 429 N -0.29 1.03 -2.21 1.44 3.38 -0.31 -1.28 115.31 117.06 1gqj h LEU 429 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gqj h LEU 429 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1gqj h LEU 429 CO 0.00 0.66 0.00 -0.08 0.09 0.00 0.00 178.44 179.11 1gqj h GLU 430 N 1.16 0.00 0.00 1.13 4.81 -0.95 -3.40 114.58 117.34 1gqj h GLU 430 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1gqj h GLU 430 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1gqj h GLU 430 CO -0.17 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.52 1gqj n GLY 431 N -0.77 0.64 0.21 1.92 0.00 -0.48 -4.95 105.19 101.77 1gqj n GLY 431 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1gqj n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj h LYS 432 N 4.41 0.00 0.00 1.61 1.57 -1.73 -0.77 116.57 121.66 1gqj h LYS 432 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1gqj h LYS 432 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1gqj h LYS 432 CO 0.00 0.25 -0.40 0.28 -0.57 0.00 0.00 179.45 179.02 1gqj h VAL 433 N 0.00 1.42 -0.01 0.50 2.07 -1.83 -3.39 116.25 115.01 1gqj h VAL 433 Ca -0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1gqj h VAL 433 Cb 0.80 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1gqj h VAL 433 CO 0.03 0.48 -0.42 0.49 0.02 0.00 0.00 177.57 178.17 1gqj n PHE 434 N -4.56 0.00 -2.86 1.57 3.72 -1.25 -4.99 117.46 109.08 1gqj n PHE 434 Ca -0.16 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.18 1gqj n PHE 434 Cb 0.52 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1gqj n PHE 434 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1gqj n LYS 435 N -0.20 -1.44 -4.07 -1.08 4.76 -0.31 -4.86 118.16 110.96 1gqj n LYS 435 Ca 0.07 1.05 -0.23 0.00 -2.87 0.00 0.00 58.31 56.34 1gqj n LYS 435 Cb 0.38 -5.06 -0.06 0.00 -1.84 0.00 0.00 35.03 28.45 1gqj n LYS 435 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1gqj s THR 436 N -3.15 3.24 -0.05 -0.18 -4.23 -1.16 -5.06 115.64 105.05 1gqj s THR 436 Ca 0.17 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1gqj s THR 436 Cb -0.02 -3.02 -0.25 0.00 1.34 0.00 0.00 72.50 70.54 1gqj s THR 436 CO 0.62 -0.21 0.65 0.03 -0.54 0.00 0.00 174.62 175.17 1gqj h ARG 437 N 1.53 0.16 -4.44 3.99 3.08 -1.93 -3.45 114.38 113.32 1gqj h ARG 437 Ca -0.44 -0.27 -0.50 0.00 0.07 0.00 0.00 59.98 58.84 1gqj h ARG 437 Cb 1.25 0.10 -0.34 0.00 0.08 0.00 0.00 29.97 31.06 1gqj h ARG 437 CO 0.62 0.92 -0.81 -1.01 -1.07 0.00 0.00 179.97 178.62 1gqj s HIS 438 N -2.60 1.35 0.15 3.04 3.76 -1.26 -5.09 115.29 114.65 1gqj s HIS 438 Ca -0.11 -0.51 0.05 0.00 -0.15 0.00 0.00 55.06 54.34 1gqj s HIS 438 Cb 0.07 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.69 1gqj s HIS 438 CO 0.82 -0.29 -0.11 0.95 -0.85 0.00 0.00 174.74 175.26 1gqj s THR 439 N 0.80 1.26 0.00 1.30 -4.23 -1.26 -4.16 115.64 109.35 1gqj s THR 439 Ca -0.12 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1gqj s THR 439 Cb -0.15 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1gqj s THR 439 CO 0.02 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 1gqj n GLY 440 N -0.19 -0.86 3.32 3.99 0.00 -1.26 -0.89 105.19 109.30 1gqj n GLY 440 Ca -0.10 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1gqj n GLY 440 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1gqj s MET 441 N -2.00 0.44 0.01 1.61 1.75 -0.16 -2.45 119.30 118.51 1gqj s MET 441 Ca 0.00 0.83 0.06 0.00 -1.25 0.00 0.00 55.69 55.34 1gqj s MET 441 Cb 0.00 0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.66 1gqj s MET 441 CO 0.00 -0.15 -0.18 0.00 -0.65 0.00 0.00 175.02 174.04 1gqj s ALA 442 N 1.34 2.55 -0.13 4.11 0.00 0.17 -1.52 121.76 128.28 1gqj s ALA 442 Ca -0.09 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1gqj s ALA 442 Cb -0.08 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.31 1gqj s ALA 442 CO -0.13 0.56 -0.06 0.20 0.00 0.00 0.00 175.76 176.33 1gqj s GLY 443 N -1.18 0.84 -0.77 0.00 0.00 -0.37 -1.36 107.32 104.48 1gqj s GLY 443 Ca 0.13 -0.61 -0.25 0.00 0.00 0.00 0.00 44.72 43.99 1gqj s GLY 443 CO 0.03 0.88 1.24 0.14 0.00 0.00 0.00 173.10 175.39 1gqj s VAL 444 N 1.71 3.91 -0.14 1.40 1.01 -0.13 0.28 120.40 128.44 1gqj s VAL 444 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1gqj s VAL 444 Cb -0.13 -4.89 -0.24 0.00 0.00 0.00 0.00 36.38 31.12 1gqj s VAL 444 CO -0.08 -1.78 0.30 2.30 0.00 0.00 0.00 175.10 175.84 1gqj n ILE 445 N 6.33 1.67 -4.15 2.22 -5.35 -1.06 -0.78 119.36 118.24 1gqj n ILE 445 Ca 0.07 -0.68 -0.29 0.00 -0.27 0.00 0.00 62.75 61.58 1gqj n ILE 445 Cb 0.49 -1.45 -0.06 0.00 -1.74 0.00 0.00 39.64 36.88 1gqj n ILE 445 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1gqj n ASN 446 N -3.31 -0.08 -4.55 7.28 3.02 -1.24 -3.81 115.26 112.57 1gqj n ASN 446 Ca -0.32 -1.13 -0.29 0.00 -0.03 0.00 0.00 54.58 52.81 1gqj n ASN 446 Cb 1.05 -2.38 0.15 0.00 -0.61 0.00 0.00 39.78 37.99 1gqj n ASN 446 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1gqj s PRO 447 N -6.95 0.92 0.00 3.52 0.04 -1.26 -4.36 135.00 126.90 1gqj s PRO 447 Ca 0.09 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1gqj s PRO 447 Cb -0.05 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1gqj s PRO 447 CO 0.94 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 176.09 1gqj n GLY 448 N -2.61 3.68 0.00 0.56 0.00 -0.45 -4.66 105.19 101.71 1gqj n GLY 448 Ca 0.09 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.99 1gqj n GLY 448 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gqj n THR 449 N 0.00 0.26 -1.62 2.61 -2.24 -0.08 -4.32 114.28 108.88 1gqj n THR 449 Ca 0.00 0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 1gqj n THR 449 Cb 0.00 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 67.52 1gqj n THR 449 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gqj n ASP 450 N -1.21 1.44 -0.31 3.42 9.92 -0.86 -4.84 116.55 124.11 1gqj n ASP 450 Ca 0.12 1.05 0.15 0.00 -0.53 0.00 0.00 54.79 55.57 1gqj n ASP 450 Cb 0.14 -1.37 0.38 0.00 -0.64 0.00 0.00 41.12 39.64 1gqj n ASP 450 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1gqj h ARG 451 N 1.63 0.64 -0.59 -1.24 9.65 -1.89 -0.16 114.38 122.42 1gqj h ARG 451 Ca -0.45 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1gqj h ARG 451 Cb 1.33 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1gqj h ARG 451 CO 0.57 0.42 0.00 0.27 2.80 0.00 0.00 179.97 184.04 1gqj n ASN 452 N -4.65 3.34 0.00 -3.80 6.94 -1.25 -3.38 115.26 112.47 1gqj n ASN 452 Ca 0.21 -2.27 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 1gqj n ASN 452 Cb 0.59 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1gqj n ASN 452 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 1gqj n TRP 453 N 0.75 0.00 0.09 -2.53 7.02 -0.08 -4.41 117.44 118.28 1gqj n TRP 453 Ca 0.18 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.67 1gqj n TRP 453 Cb 0.62 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.51 1gqj n TRP 453 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1gqj n THR 454 N 0.00 0.00 0.00 -0.99 -2.24 -1.26 -1.34 114.28 108.45 1gqj n THR 454 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1gqj n THR 454 Cb 0.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1gqj n THR 454 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqj n GLY 455 N 0.61 2.21 3.69 3.38 0.00 -1.26 -4.54 105.19 109.28 1gqj n GLY 455 Ca 0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1gqj n GLY 455 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gqj s HIS 456 N 0.00 3.41 0.35 1.61 5.65 -1.26 -4.94 115.29 120.11 1gqj s HIS 456 Ca 0.00 1.47 0.12 0.00 0.25 0.00 0.00 55.06 56.89 1gqj s HIS 456 Cb 0.00 -3.27 0.91 0.00 -1.18 0.00 0.00 32.58 29.04 1gqj s HIS 456 CO 0.00 -0.60 1.79 -1.35 -0.65 0.00 0.00 174.74 173.93 1gqj h PRO 457 N 7.20 0.57 0.00 2.88 0.11 -1.91 -2.07 132.00 138.78 1gqj h PRO 457 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gqj h PRO 457 Cb 1.15 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1gqj h PRO 457 CO 0.86 0.38 0.00 0.74 -0.21 0.00 0.00 178.00 179.77 1gqj h PHE 458 N 0.59 0.00 0.00 0.65 -1.00 -1.95 -2.71 116.94 112.52 1gqj h PHE 458 Ca 0.56 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.30 1gqj h PHE 458 Cb 1.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 1gqj h PHE 458 CO -0.00 0.00 -0.18 0.28 -1.61 0.00 0.00 178.31 176.80 1gqj h VAL 459 N 0.00 1.04 -0.88 -0.55 2.07 -1.69 -1.50 116.25 114.74 1gqj h VAL 459 Ca 0.00 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 66.99 1gqj h VAL 459 Cb 0.50 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 1gqj h VAL 459 CO 0.00 0.18 0.57 1.56 0.02 0.00 0.00 177.57 179.90 1gqj h GLN 460 N 0.00 0.79 -0.38 1.57 4.20 -1.64 -1.86 115.11 117.80 1gqj h GLN 460 Ca -0.00 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1gqj h GLN 460 Cb 0.34 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1gqj h GLN 460 CO 0.02 0.53 0.03 0.66 -0.67 0.00 0.00 178.83 179.40 1gqj h SER 461 N 0.82 0.55 -0.22 1.46 4.64 -1.45 0.28 113.55 119.62 1gqj h SER 461 Ca 0.42 -0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.44 1gqj h SER 461 Cb 0.50 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1gqj h SER 461 CO -0.18 0.60 -0.63 0.28 -0.87 0.00 0.00 176.83 176.03 1gqj h SER 462 N 0.57 0.94 -0.49 4.97 0.02 -1.36 -0.72 113.55 117.48 1gqj h SER 462 Ca 0.12 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1gqj h SER 462 Cb 0.31 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1gqj h SER 462 CO 0.01 1.35 0.24 -0.25 -1.14 0.00 0.00 176.83 177.04 1gqj h TRP 463 N 0.58 0.70 -0.10 3.45 2.91 -1.10 -1.67 115.95 120.73 1gqj h TRP 463 Ca -0.01 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.98 1gqj h TRP 463 Cb 1.25 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 1gqj h TRP 463 CO 0.08 0.55 0.06 -0.92 -1.03 0.00 0.00 178.44 177.19 1gqj h TYR 464 N 0.65 0.12 -0.61 2.65 3.20 -0.84 -1.96 116.97 120.18 1gqj h TYR 464 Ca 0.17 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1gqj h TYR 464 Cb 0.11 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1gqj h TYR 464 CO -0.01 0.07 0.22 0.00 -1.64 0.00 0.00 178.16 176.80 1gqj h ALA 465 N 1.04 0.80 -0.14 1.82 0.00 -1.04 -1.84 119.26 119.89 1gqj h ALA 465 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1gqj h ALA 465 Cb -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1gqj h ALA 465 CO -0.01 0.44 -0.09 0.35 0.00 0.00 0.00 179.25 179.93 1gqj h PHE 466 N 0.86 -0.22 -0.69 0.00 3.57 -1.10 -0.00 116.94 119.36 1gqj h PHE 466 Ca 0.20 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1gqj h PHE 466 Cb 0.25 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1gqj h PHE 466 CO 0.02 -0.14 0.17 0.78 -2.23 0.00 0.00 178.31 176.91 1gqj h GLY 467 N -0.09 1.18 1.00 2.40 0.00 -1.03 0.23 103.07 106.75 1gqj h GLY 467 Ca 0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1gqj h GLY 467 CO -0.20 0.68 0.16 3.21 0.00 0.00 0.00 176.54 180.39 1gqj h ARG 468 N 1.03 0.90 0.00 4.80 2.47 -1.10 -2.37 114.38 120.12 1gqj h ARG 468 Ca 0.22 -0.20 -0.09 0.00 -1.26 0.00 0.00 59.98 58.65 1gqj h ARG 468 Cb 0.36 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1gqj h ARG 468 CO 0.00 0.82 -0.42 0.52 0.56 0.00 0.00 179.97 181.45 1gqj h MET 469 N 0.81 0.00 -0.12 0.04 2.86 -0.77 0.05 114.93 117.81 1gqj h MET 469 Ca 0.18 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1gqj h MET 469 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1gqj h MET 469 CO -0.00 0.42 -0.40 0.00 1.06 0.00 0.00 176.91 177.99 1gqj h ALA 470 N 1.58 1.11 0.01 6.32 0.00 -0.70 -2.24 119.26 125.35 1gqj h ALA 470 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1gqj h ALA 470 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1gqj h ALA 470 CO 0.05 0.58 -0.01 2.35 0.00 0.00 0.00 179.25 182.23 1gqj h TRP 471 N 0.21 -0.01 -3.14 0.00 2.91 -0.91 -3.35 115.95 111.66 1gqj h TRP 471 Ca 0.02 -0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.53 1gqj h TRP 471 Cb 0.80 0.00 -0.40 0.00 -0.51 0.00 0.00 29.16 29.05 1gqj h TRP 471 CO 0.01 0.69 -0.76 0.34 -1.03 0.00 0.00 178.44 177.69 1gqj s ASP 472 N -5.91 2.98 0.00 2.65 -1.08 -0.04 -0.22 116.67 115.05 1gqj s ASP 472 Ca -0.17 -0.92 0.15 0.00 -0.52 0.00 0.00 52.55 51.09 1gqj s ASP 472 Cb -0.00 -0.51 0.67 0.00 -1.46 0.00 0.00 42.92 41.61 1gqj s ASP 472 CO 0.66 -0.35 1.45 0.00 0.52 0.00 0.00 175.17 177.46 1gqj n HIS 473 N 5.11 0.00 1.26 -5.34 1.44 -0.85 -1.53 115.22 115.32 1gqj n HIS 473 Ca -0.07 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.77 1gqj n HIS 473 Cb 0.46 -0.43 0.33 0.00 0.12 0.00 0.00 29.99 30.48 1gqj n HIS 473 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1gqj n GLN 474 N -1.43 1.40 -2.01 -1.40 6.02 -1.26 -4.77 117.38 113.92 1gqj n GLN 474 Ca 0.05 -0.94 -0.41 0.00 -0.01 0.00 0.00 57.00 55.69 1gqj n GLN 474 Cb 0.16 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 1gqj n GLN 474 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gqj s ILE 475 N -2.25 2.60 0.51 5.09 1.01 -0.58 -4.97 121.20 122.61 1gqj s ILE 475 Ca 0.29 0.53 -0.09 0.00 0.00 0.00 0.00 60.65 61.39 1gqj s ILE 475 Cb 0.20 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 1gqj s ILE 475 CO 0.43 0.10 0.87 -0.94 0.00 0.00 0.00 174.94 175.39 1gqj s SER 476 N 0.13 6.33 0.30 3.58 1.04 -1.26 -4.88 113.70 118.93 1gqj s SER 476 Ca 0.56 1.15 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1gqj s SER 476 Cb -0.42 -2.34 0.46 0.00 0.10 0.00 0.00 66.02 63.82 1gqj s SER 476 CO 0.47 -0.63 1.86 0.00 0.98 0.00 0.00 173.24 175.92 1gqj h ALA 477 N 0.32 1.28 -0.28 5.32 0.00 -1.94 -2.06 119.26 121.91 1gqj h ALA 477 Ca -0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1gqj h ALA 477 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1gqj h ALA 477 CO 0.62 0.51 0.14 0.00 0.00 0.00 0.00 179.25 180.52 1gqj h ALA 478 N 1.40 0.35 -0.46 0.00 0.00 -1.94 -0.61 119.26 118.00 1gqj h ALA 478 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gqj h ALA 478 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1gqj h ALA 478 CO -0.01 -0.10 0.18 1.15 0.00 0.00 0.00 179.25 180.47 1gqj h THR 479 N 0.32 1.21 -0.45 0.00 2.02 -1.90 -0.76 112.91 113.35 1gqj h THR 479 Ca 0.10 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 1gqj h THR 479 Cb 0.10 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1gqj h THR 479 CO -0.01 0.24 -0.04 0.00 0.37 0.00 0.00 175.52 176.08 1gqj h ALA 480 N 1.02 1.08 -0.28 6.16 0.00 -1.24 -1.84 119.26 124.17 1gqj h ALA 480 Ca 0.15 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1gqj h ALA 480 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1gqj h ALA 480 CO -0.01 0.57 -0.44 0.00 0.00 0.00 0.00 179.25 179.37 1gqj h ALA 481 N 1.25 0.69 0.15 0.00 0.00 -0.85 -0.87 119.26 119.62 1gqj h ALA 481 Ca 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1gqj h ALA 481 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gqj h ALA 481 CO 0.03 0.67 -0.07 0.22 0.00 0.00 0.00 179.25 180.09 1gqj h ASP 482 N 0.58 -0.17 -0.15 0.00 3.58 -0.88 -0.64 116.42 118.75 1gqj h ASP 482 Ca 0.04 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.52 1gqj h ASP 482 Cb 0.99 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 1gqj h ASP 482 CO 0.09 -0.11 -0.05 -0.33 -2.88 0.00 0.00 179.24 175.97 1gqj h GLU 483 N -0.21 -0.01 -0.65 0.28 5.08 -1.27 -2.71 114.58 115.08 1gqj h GLU 483 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1gqj h GLU 483 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1gqj h GLU 483 CO 0.03 -0.01 0.33 2.35 -1.00 0.00 0.00 179.01 180.71 1gqj h TRP 484 N -0.01 0.92 -0.74 4.33 7.01 -1.04 -0.35 115.95 126.07 1gqj h TRP 484 Ca 0.08 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1gqj h TRP 484 Cb 0.13 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1gqj h TRP 484 CO -0.19 0.68 0.33 -0.07 -2.79 0.00 0.00 178.44 176.40 1gqj h LEU 485 N 0.89 1.00 -0.39 0.65 3.38 -1.08 0.29 115.31 120.04 1gqj h LEU 485 Ca 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1gqj h LEU 485 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1gqj h LEU 485 CO -0.03 0.87 0.07 0.03 0.09 0.00 0.00 178.44 179.47 1gqj h ARG 486 N 1.05 0.65 -0.04 1.13 3.08 -1.17 0.11 114.38 119.19 1gqj h ARG 486 Ca 0.25 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1gqj h ARG 486 Cb 0.16 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1gqj h ARG 486 CO -0.03 0.69 -0.56 0.52 -1.07 0.00 0.00 179.97 179.53 1gqj h MET 487 N 0.50 0.11 0.02 0.04 2.86 -0.74 -3.35 114.93 114.37 1gqj h MET 487 Ca 0.12 -0.07 -0.36 0.00 -2.06 0.00 0.00 59.70 57.33 1gqj h MET 487 Cb 0.35 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 1gqj h MET 487 CO 0.01 0.63 -2.25 2.41 1.06 0.00 0.00 176.91 178.77 1gqj n THR 488 N -3.89 1.52 0.07 2.22 -1.04 0.98 -4.30 114.28 109.83 1gqj n THR 488 Ca -0.02 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 1gqj n THR 488 Cb 0.57 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1gqj n THR 488 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1gqj n PHE 489 N -3.07 -0.74 -3.55 -1.42 3.72 0.29 -5.03 117.46 107.65 1gqj n PHE 489 Ca -0.34 0.13 -0.10 0.00 -0.05 0.00 0.00 57.45 57.08 1gqj n PHE 489 Cb 1.07 0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 39.75 1gqj n PHE 489 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gqj s SER 490 N -5.62 -0.39 0.00 4.37 0.15 -0.68 -4.90 113.70 106.63 1gqj s SER 490 Ca 0.00 0.31 0.23 0.00 0.70 0.00 0.00 55.95 57.18 1gqj s SER 490 Cb 0.00 0.35 0.45 0.00 -1.71 0.00 0.00 66.02 65.10 1gqj s SER 490 CO 0.00 -0.45 1.41 0.59 1.20 0.00 0.00 173.24 175.99 1gqj n ASN 491 N 0.44 3.51 -4.66 5.45 3.02 -1.26 -3.64 115.26 118.12 1gqj n ASN 491 Ca -0.10 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.04 1gqj n ASN 491 Cb 0.59 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1gqj n ASN 491 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1gqj s GLN 492 N -1.39 4.13 0.41 3.52 -1.52 -1.26 -4.90 119.66 118.65 1gqj s GLN 492 Ca 0.39 2.01 0.09 0.00 -1.95 0.00 0.00 55.36 55.91 1gqj s GLN 492 Cb 0.23 -3.95 0.90 0.00 -0.22 0.00 0.00 33.01 29.96 1gqj s GLN 492 CO 0.31 -0.89 2.03 -1.35 -0.25 0.00 0.00 175.29 175.14 1gqj h PRO 493 N 9.47 0.52 0.00 2.91 0.11 -1.99 -0.43 132.00 142.59 1gqj h PRO 493 Ca -0.36 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1gqj h PRO 493 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1gqj h PRO 493 CO 0.96 0.34 -0.10 0.00 -0.21 0.00 0.00 178.00 179.00 1gqj h ALA 494 N 1.72 1.15 0.08 -0.75 0.00 -2.01 -2.54 119.26 116.90 1gqj h ALA 494 Ca 0.21 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1gqj h ALA 494 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1gqj h ALA 494 CO -0.05 0.12 -1.19 0.35 0.00 0.00 0.00 179.25 178.48 1gqj h PHE 495 N 0.00 0.31 -0.10 0.00 3.57 -1.71 -3.41 116.94 115.61 1gqj h PHE 495 Ca -0.00 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.28 1gqj h PHE 495 Cb 0.39 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1gqj h PHE 495 CO 0.00 1.46 0.05 0.82 -2.23 0.00 0.00 178.31 178.41 1gqj h ILE 496 N -0.51 1.00 0.64 1.41 2.04 -0.82 -2.72 117.51 118.54 1gqj h ILE 496 Ca -0.27 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1gqj h ILE 496 Cb 1.58 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1gqj h ILE 496 CO 0.01 0.02 -0.50 -0.08 0.00 0.00 0.00 178.15 177.60 1gqj h GLU 497 N 0.10 -1.06 -0.49 2.37 4.57 -1.70 0.15 114.58 118.53 1gqj h GLU 497 Ca 0.04 0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 1gqj h GLU 497 Cb 0.01 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1gqj h GLU 497 CO -0.03 -0.70 -0.05 -1.00 -1.18 0.00 0.00 179.01 176.04 1gqj h PRO 498 N -1.10 0.86 -0.12 0.92 0.13 -1.78 -1.47 132.00 129.44 1gqj h PRO 498 Ca -0.08 -0.27 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 1gqj h PRO 498 Cb 0.91 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1gqj h PRO 498 CO 0.02 0.89 -0.53 0.28 -0.23 0.00 0.00 178.00 178.43 1gqj h VAL 499 N 0.79 1.35 -0.40 1.56 2.07 -1.43 -0.90 116.25 119.29 1gqj h VAL 499 Ca 0.14 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 1gqj h VAL 499 Cb 0.55 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1gqj h VAL 499 CO 0.03 0.54 0.14 0.50 0.02 0.00 0.00 177.57 178.80 1gqj h LYS 500 N 0.27 0.62 -0.65 1.57 3.64 -0.47 -0.83 116.57 120.73 1gqj h LYS 500 Ca 0.01 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1gqj h LYS 500 Cb 1.02 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1gqj h LYS 500 CO 0.09 0.61 0.10 1.96 -2.27 0.00 0.00 179.45 179.94 1gqj h GLN 501 N 0.50 1.07 -0.24 1.90 1.08 -1.05 0.41 115.11 118.78 1gqj h GLN 501 Ca 0.13 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1gqj h GLN 501 Cb 0.24 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1gqj h GLN 501 CO -0.01 0.98 0.02 1.98 -0.95 0.00 0.00 178.83 180.85 1gqj h MET 502 N 1.00 0.10 -0.33 1.46 4.05 -1.07 -1.33 114.93 118.82 1gqj h MET 502 Ca 0.20 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.64 1gqj h MET 502 Cb 0.43 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1gqj h MET 502 CO 0.01 0.07 0.14 0.52 0.23 0.00 0.00 176.91 177.88 1gqj h MET 503 N 0.10 0.28 0.00 0.39 2.86 -0.80 -2.01 114.93 115.76 1gqj h MET 503 Ca 0.11 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1gqj h MET 503 Cb 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1gqj h MET 503 CO -0.17 0.19 -0.17 -0.07 1.06 0.00 0.00 176.91 177.74 1gqj h LEU 504 N 0.29 0.00 0.00 1.22 3.38 -0.55 -2.61 115.31 117.04 1gqj h LEU 504 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gqj h LEU 504 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1gqj h LEU 504 CO -0.13 0.17 -0.86 1.62 0.09 0.00 0.00 178.44 179.34 1gqj h VAL 505 N 0.00 0.00 -0.99 1.22 3.04 -1.06 -3.40 116.25 115.06 1gqj h VAL 505 Ca -0.00 -0.89 0.09 0.00 -1.01 0.00 0.00 66.70 64.88 1gqj h VAL 505 Cb 0.33 1.44 -0.07 0.00 -2.01 0.00 0.00 31.29 30.97 1gqj h VAL 505 CO 0.02 0.00 0.63 0.77 -1.01 0.00 0.00 177.57 177.98 1gqj h SER 506 N 0.00 0.97 -0.07 3.17 4.64 -0.96 0.55 113.55 121.85 1gqj h SER 506 Ca 0.00 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1gqj h SER 506 Cb 0.95 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1gqj h SER 506 CO 0.00 0.58 0.04 -0.09 -0.87 0.00 0.00 176.83 176.50 1gqj h ARG 507 N 1.08 0.10 -0.34 4.77 1.12 -1.73 -1.71 114.38 117.68 1gqj h ARG 507 Ca 0.45 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 59.24 1gqj h ARG 507 Cb 0.29 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.21 1gqj h ARG 507 CO -0.21 0.12 -0.08 1.49 -3.11 0.00 0.00 179.97 178.18 1gqj h GLU 508 N 0.06 0.56 -0.72 0.20 4.57 -1.63 -0.33 114.58 117.28 1gqj h GLU 508 Ca 0.03 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1gqj h GLU 508 Cb 0.04 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1gqj h GLU 508 CO -0.00 0.64 0.44 0.00 -1.18 0.00 0.00 179.01 178.91 1gqj h ALA 509 N 1.40 0.92 0.00 2.92 0.00 -0.70 0.50 119.26 124.30 1gqj h ALA 509 Ca 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1gqj h ALA 509 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gqj h ALA 509 CO 0.02 0.38 -0.24 0.78 0.00 0.00 0.00 179.25 180.19 1gqj h GLY 510 N 0.99 0.00 0.66 0.00 0.00 -0.16 -1.58 103.07 102.97 1gqj h GLY 510 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 1gqj h GLY 510 CO -0.05 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.21 1gqj h VAL 511 N 0.00 1.40 -0.33 4.60 2.07 -0.68 -3.27 116.25 120.04 1gqj h VAL 511 Ca -0.00 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1gqj h VAL 511 Cb 0.54 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1gqj h VAL 511 CO 0.03 0.43 0.17 0.78 0.02 0.00 0.00 177.57 179.00 1gqj h ASN 512 N -0.18 0.42 0.49 0.57 -0.26 0.03 -0.55 115.58 116.10 1gqj h ASN 512 Ca -0.00 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1gqj h ASN 512 Cb 0.80 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1gqj h ASN 512 CO 0.04 0.41 -0.02 0.00 -1.06 0.00 0.00 177.43 176.80 1gqj n TYR 513 N -4.77 0.00 -0.06 1.19 0.18 -0.80 -3.58 117.16 109.32 1gqj n TYR 513 Ca -0.01 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.65 1gqj n TYR 513 Cb 0.09 -0.24 -0.04 0.00 -0.38 0.00 0.00 39.34 38.77 1gqj n TYR 513 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1gqj n ARG 514 N -1.21 0.32 -2.74 -3.48 1.74 -1.05 -3.85 116.66 106.38 1gqj n ARG 514 Ca 0.15 0.13 -0.05 0.00 -0.77 0.00 0.00 57.85 57.32 1gqj n ARG 514 Cb 0.24 -1.04 0.03 0.00 -1.02 0.00 0.00 32.46 30.66 1gqj n ARG 514 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1gqj n SER 515 N -3.84 -2.91 -4.57 0.55 3.41 -0.24 -4.86 113.62 101.16 1gqj n SER 515 Ca -0.21 -2.61 -0.28 0.00 -0.26 0.00 0.00 58.87 55.50 1gqj n SER 515 Cb 0.54 1.55 0.13 0.00 -0.26 0.00 0.00 64.21 66.17 1gqj n SER 515 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gqj s PRO 516 N 0.81 1.44 -1.97 4.33 0.04 -1.14 -4.16 135.00 134.34 1gqj s PRO 516 Ca 0.29 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1gqj s PRO 516 Cb 0.08 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1gqj s PRO 516 CO -0.10 -1.86 0.00 1.28 0.04 0.00 0.00 177.00 176.36 1gqj n LEU 517 N -3.39 -1.51 0.00 -3.56 4.77 -1.26 -1.40 117.00 110.65 1gqj n LEU 517 Ca 0.12 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1gqj n LEU 517 Cb 0.60 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1gqj n LEU 517 CO 0.50 -0.85 0.00 0.61 -1.33 0.00 0.00 177.39 176.33 1gqj n GLY 518 N -0.68 0.61 3.72 -0.72 0.00 -1.14 -1.87 105.19 105.10 1gqj n GLY 518 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1gqj n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqj s LEU 519 N 0.00 2.91 -0.02 0.99 1.43 -0.49 -3.24 118.68 120.25 1gqj s LEU 519 Ca 0.00 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.81 1gqj s LEU 519 Cb 0.00 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.80 1gqj s LEU 519 CO 0.00 -2.59 0.87 0.28 0.23 0.00 0.00 176.35 175.14 1gqj s THR 520 N -2.78 0.00 -1.27 5.49 -1.32 -1.26 -4.57 115.64 109.93 1gqj s THR 520 Ca 0.64 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.08 1gqj s THR 520 Cb -0.20 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.80 1gqj s THR 520 CO 0.57 0.00 1.07 1.57 -2.21 0.00 0.00 174.62 175.62 1gqj n HIS 521 N -0.01 -2.47 -0.73 9.09 -0.00 -1.26 -4.66 115.22 115.18 1gqj n HIS 521 Ca -0.10 0.97 0.07 0.00 -0.00 0.00 0.00 57.72 58.66 1gqj n HIS 521 Cb 0.61 -5.04 0.38 0.00 -0.00 0.00 0.00 29.99 25.94 1gqj n HIS 521 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1gqj n LEU 522 N -4.51 5.28 -4.82 0.27 4.77 -1.26 -4.07 117.00 112.66 1gqj n LEU 522 Ca -0.16 -2.68 -0.34 0.00 -0.03 0.00 0.00 56.01 52.81 1gqj n LEU 522 Cb 0.62 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1gqj n LEU 522 CO 0.63 0.66 0.58 -0.31 -1.33 0.00 0.00 177.39 177.61 1gqj s TYR 523 N -2.45 3.40 0.10 -1.77 1.51 -1.26 -0.24 117.35 116.64 1gqj s TYR 523 Ca 0.51 1.52 -0.35 0.00 -1.01 0.00 0.00 57.07 57.74 1gqj s TYR 523 Cb 0.38 -2.77 -0.15 0.00 -0.11 0.00 0.00 41.96 39.31 1gqj s TYR 523 CO 0.18 0.02 1.51 0.45 -1.11 0.00 0.00 175.55 176.59 1gqj n SER 524 N -0.31 2.51 -4.70 2.29 2.88 -0.24 -4.37 113.62 111.68 1gqj n SER 524 Ca 0.05 1.09 -0.35 0.00 -1.33 0.00 0.00 58.87 58.33 1gqj n SER 524 Cb 0.53 -1.32 -0.09 0.00 -0.75 0.00 0.00 64.21 62.58 1gqj n SER 524 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1gqj s GLN 525 N 1.04 3.00 -0.40 -1.46 -1.52 -1.26 -1.12 119.66 117.93 1gqj s GLN 525 Ca 0.83 -0.40 0.05 0.00 -1.95 0.00 0.00 55.36 53.89 1gqj s GLN 525 Cb -0.81 -2.81 0.44 0.00 -0.22 0.00 0.00 33.01 29.62 1gqj s GLN 525 CO 0.43 0.70 1.31 0.41 -0.25 0.00 0.00 175.29 177.90 1gqj n GLY 526 N 2.09 6.19 0.12 3.09 0.00 -1.26 -4.91 105.19 110.52 1gqj n GLY 526 Ca -0.18 -2.65 -0.21 0.00 0.00 0.00 0.00 46.02 42.98 1gqj n GLY 526 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1gqj h ASP 527 N 2.31 0.32 0.00 1.61 2.03 -1.95 -3.49 116.42 117.26 1gqj h ASP 527 Ca 0.39 -0.82 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1gqj h ASP 527 Cb 1.21 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1gqj h ASP 527 CO 0.92 1.60 0.00 1.41 -1.03 0.00 0.00 179.24 182.14 1gqj n HIS 528 N -3.97 0.00 0.01 4.15 8.25 -0.28 -4.97 115.22 118.41 1gqj n HIS 528 Ca -0.26 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.09 1gqj n HIS 528 Cb 0.87 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.89 1gqj n HIS 528 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1gqj h TYR 529 N 0.00 -0.11 -0.64 4.41 3.20 -1.82 -3.43 116.97 118.57 1gqj h TYR 529 Ca 0.00 -0.00 -0.62 0.00 3.14 0.00 0.00 58.73 61.25 1gqj h TYR 529 Cb 0.00 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.22 1gqj h TYR 529 CO 0.00 0.43 -0.42 0.20 -1.64 0.00 0.00 178.16 176.73 1gqj s GLY 530 N -3.47 2.63 0.37 1.82 0.00 -1.26 -4.83 107.32 102.58 1gqj s GLY 530 Ca -0.14 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.28 1gqj s GLY 530 CO 0.53 -2.04 1.16 2.56 0.00 0.00 0.00 173.10 175.31 1gqj s PRO 531 N -4.06 4.19 -0.46 2.90 0.04 -1.26 -1.07 135.00 135.27 1gqj s PRO 531 Ca 0.24 1.83 0.06 0.00 0.04 0.00 0.00 61.00 63.17 1gqj s PRO 531 Cb 0.00 -2.78 0.30 0.00 0.04 0.00 0.00 34.50 32.06 1gqj s PRO 531 CO 0.14 -0.20 1.04 0.00 0.04 0.00 0.00 177.00 178.02 1gqj n ALA 532 N 0.31 -0.77 0.30 8.56 0.00 0.67 -4.35 120.51 125.23 1gqj n ALA 532 Ca 0.03 -1.56 0.17 0.00 0.00 0.00 0.00 53.44 52.08 1gqj n ALA 532 Cb 0.46 -1.19 0.83 0.00 0.00 0.00 0.00 19.45 19.55 1gqj n ALA 532 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gqj h PRO 533 N 3.27 0.00 0.00 0.00 0.13 -1.81 -1.95 132.00 131.64 1gqj h PRO 533 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1gqj h PRO 533 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1gqj h PRO 533 CO 0.20 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.30 1gqj n TRP 534 N -2.79 0.42 -1.69 1.56 2.14 -1.26 -4.16 117.44 111.66 1gqj n TRP 534 Ca -0.01 0.14 -0.52 0.00 2.07 0.00 0.00 57.50 59.19 1gqj n TRP 534 Cb 0.16 -0.73 -0.06 0.00 -0.81 0.00 0.00 31.31 29.87 1gqj n TRP 534 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1gqj n THR 535 N -1.86 0.44 -3.84 -1.67 -1.04 -0.73 -4.77 114.28 100.81 1gqj n THR 535 Ca 0.05 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.05 61.92 1gqj n THR 535 Cb 0.29 -1.60 -0.02 0.00 -1.82 0.00 0.00 70.33 67.19 1gqj n THR 535 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1gqj n ASP 536 N 5.95 -0.41 -3.53 8.00 4.64 -1.26 -1.62 116.55 128.31 1gqj n ASP 536 Ca 0.24 -1.69 -0.22 0.00 -1.38 0.00 0.00 54.79 51.74 1gqj n ASP 536 Cb 0.23 0.81 0.05 0.00 -1.04 0.00 0.00 41.12 41.17 1gqj n ASP 536 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1gqj n ASP 537 N -2.12 -3.91 -4.75 1.67 8.00 -1.26 -5.01 116.55 109.16 1gqj n ASP 537 Ca 0.01 -0.81 -0.22 0.00 0.71 0.00 0.00 54.79 54.47 1gqj n ASP 537 Cb 0.21 -4.35 -0.06 0.00 -0.02 0.00 0.00 41.12 36.90 1gqj n ASP 537 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gqj s LEU 538 N -6.21 3.53 0.40 0.64 1.43 -1.26 -5.01 118.68 112.20 1gqj s LEU 538 Ca 0.25 -0.45 0.23 0.00 -1.03 0.00 0.00 54.13 53.13 1gqj s LEU 538 Cb -0.06 -2.06 1.27 0.00 0.03 0.00 0.00 46.19 45.37 1gqj s LEU 538 CO 0.79 -0.06 1.66 -0.65 0.23 0.00 0.00 176.35 178.32 1gqj h PRO 539 N 1.63 0.20 -5.17 1.29 0.11 -2.01 -3.36 132.00 124.70 1gqj h PRO 539 Ca -0.46 -0.01 -0.43 0.00 0.11 0.00 0.00 66.00 65.21 1gqj h PRO 539 Cb 1.24 -0.04 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 1gqj h PRO 539 CO 0.61 0.13 -0.79 -0.98 -0.21 0.00 0.00 178.00 176.76 1gqj s ARG 540 N -5.45 0.90 0.43 1.05 1.70 -1.26 -5.04 118.95 111.28 1gqj s ARG 540 Ca -0.09 -0.65 0.22 0.00 -0.47 0.00 0.00 55.73 54.74 1gqj s ARG 540 Cb 0.29 -0.88 0.93 0.00 -0.57 0.00 0.00 34.95 34.72 1gqj s ARG 540 CO 0.80 0.22 1.85 0.00 -1.08 0.00 0.00 175.30 177.09 1gqj h ALA 541 N 5.17 1.10 0.00 7.88 0.00 -1.89 -2.51 119.26 129.02 1gqj h ALA 541 Ca -0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1gqj h ALA 541 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1gqj h ALA 541 CO 0.45 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 1gqj n ASP 542 N -3.57 0.00 -0.64 0.00 5.68 -1.26 -1.78 116.55 114.99 1gqj n ASP 542 Ca -0.01 -1.20 0.09 0.00 -0.50 0.00 0.00 54.79 53.17 1gqj n ASP 542 Cb 0.41 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1gqj n ASP 542 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1gqj n TRP 543 N -0.78 0.00 -2.69 2.11 7.02 -0.94 -4.99 117.44 117.17 1gqj n TRP 543 Ca 0.11 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.36 1gqj n TRP 543 Cb 0.05 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.04 1gqj n TRP 543 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1gqj s THR 544 N -1.67 2.15 -0.17 -0.99 -4.23 -0.73 -4.94 115.64 105.06 1gqj s THR 544 Ca 0.19 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1gqj s THR 544 Cb 0.15 -2.47 -0.23 0.00 1.34 0.00 0.00 72.50 71.29 1gqj s THR 544 CO 0.29 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.54 1gqj n ALA 545 N -2.69 1.09 0.25 3.99 0.00 -0.64 -4.36 120.51 118.15 1gqj n ALA 545 Ca 0.15 -0.78 0.08 0.00 0.00 0.00 0.00 53.44 52.89 1gqj n ALA 545 Cb 0.61 -0.49 0.62 0.00 0.00 0.00 0.00 19.45 20.20 1gqj n ALA 545 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1gqj h VAL 546 N 0.05 0.96 -0.77 0.00 -1.51 -1.63 -2.28 116.25 111.07 1gqj h VAL 546 Ca -0.47 -0.31 0.07 0.00 -1.23 0.00 0.00 66.70 64.75 1gqj h VAL 546 Cb 1.99 1.17 -0.05 0.00 -2.13 0.00 0.00 31.29 32.28 1gqj h VAL 546 CO 0.03 0.09 0.50 0.22 -1.23 0.00 0.00 177.57 177.18 1gqj h TYR 547 N 0.00 0.82 0.12 5.19 5.03 -1.79 -1.64 116.97 124.69 1gqj h TYR 547 Ca -0.00 0.02 -0.34 0.00 2.58 0.00 0.00 58.73 61.00 1gqj h TYR 547 Cb 0.16 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1gqj h TYR 547 CO 0.00 0.43 -1.79 1.88 -1.32 0.00 0.00 178.16 177.36 1gqj h TYR 548 N 0.80 0.46 0.04 -3.82 0.05 -1.65 -3.40 116.97 109.45 1gqj h TYR 548 Ca 0.33 -0.34 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 1gqj h TYR 548 Cb 0.27 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 1gqj h TYR 548 CO -0.00 1.70 -1.43 1.12 -1.05 0.00 0.00 178.16 178.50 1gqj h HIS 549 N -0.10 0.14 -6.40 4.88 2.07 -1.51 -3.37 115.15 110.85 1gqj h HIS 549 Ca -0.39 -0.10 -0.49 0.00 -2.85 0.00 0.00 60.37 56.54 1gqj h HIS 549 Cb 1.92 -0.01 -0.18 0.00 2.57 0.00 0.00 27.41 31.72 1gqj h HIS 549 CO 0.09 1.12 -0.74 0.54 -3.07 0.00 0.00 177.93 175.88 1gqj n ARG 550 N -3.27 -3.15 -2.00 5.12 1.74 -0.62 -0.17 116.66 114.31 1gqj n ARG 550 Ca -0.11 0.38 -0.40 0.00 -0.77 0.00 0.00 57.85 56.94 1gqj n ARG 550 Cb 1.01 -5.10 -0.00 0.00 -1.02 0.00 0.00 32.46 27.35 1gqj n ARG 550 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gqj s ALA 551 N -3.15 3.31 0.34 7.54 0.00 -1.26 -4.51 121.76 124.03 1gqj s ALA 551 Ca 0.65 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.89 1gqj s ALA 551 Cb -0.35 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.27 1gqj s ALA 551 CO 0.80 -0.88 0.48 -1.13 0.00 0.00 0.00 175.76 175.03 1gqj n SER 552 N 0.18 -1.35 0.26 0.00 3.41 0.13 -5.00 113.62 111.25 1gqj n SER 552 Ca 0.03 -2.78 0.09 0.00 -0.26 0.00 0.00 58.87 55.95 1gqj n SER 552 Cb 0.43 2.50 0.66 0.00 -0.26 0.00 0.00 64.21 67.53 1gqj n SER 552 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1gqj h LYS 553 N 0.00 0.00 0.00 4.33 3.64 -1.87 -3.12 116.57 119.54 1gqj h LYS 553 Ca -0.26 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.97 1gqj h LYS 553 Cb 1.13 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1gqj h LYS 553 CO 0.35 0.04 -1.79 0.25 -2.27 0.00 0.00 179.45 176.04 1gqj n THR 554 N -4.36 0.82 -3.37 1.00 -2.24 -1.26 -4.83 114.28 100.04 1gqj n THR 554 Ca -0.03 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1gqj n THR 554 Cb 0.13 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1gqj n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqj n GLY 555 N 1.42 1.16 3.32 3.38 0.00 -1.18 -2.25 105.19 111.05 1gqj n GLY 555 Ca -0.13 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1gqj n GLY 555 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gqj s ILE 556 N -2.40 0.06 0.00 -0.61 2.07 -0.24 -0.69 121.20 119.40 1gqj s ILE 556 Ca 0.00 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 58.71 1gqj s ILE 556 Cb 0.00 -1.09 0.00 0.00 0.13 0.00 0.00 42.46 41.50 1gqj s ILE 556 CO 0.00 -0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.35 1gqj n GLY 557 N 0.05 2.36 3.18 1.50 0.00 0.76 -0.60 105.19 112.43 1gqj n GLY 557 Ca -0.17 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 1gqj n GLY 557 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gqj s PHE 558 N -2.23 2.75 -0.48 1.61 2.19 -0.65 -4.32 117.98 116.85 1gqj s PHE 558 Ca 0.00 -1.35 -0.27 0.00 0.33 0.00 0.00 56.93 55.64 1gqj s PHE 558 Cb 0.00 -1.89 0.03 0.00 -1.31 0.00 0.00 43.02 39.85 1gqj s PHE 558 CO 0.00 -0.64 1.04 1.21 1.83 0.00 0.00 175.22 178.66 1gqj s ASN 559 N 1.01 6.54 -0.08 6.13 2.47 -1.26 -1.68 114.94 128.08 1gqj s ASN 559 Ca -0.02 0.23 0.11 0.00 0.42 0.00 0.00 52.86 53.60 1gqj s ASN 559 Cb -0.15 -2.50 0.22 0.00 -1.45 0.00 0.00 41.25 37.37 1gqj s ASN 559 CO -0.05 -1.19 1.14 0.54 -3.72 0.00 0.00 177.10 173.82 1gqj n ARG 560 N 7.58 2.25 -1.92 0.43 1.74 -0.52 -1.63 116.66 124.60 1gqj n ARG 560 Ca 0.09 -2.18 -0.25 0.00 -0.77 0.00 0.00 57.85 54.74 1gqj n ARG 560 Cb 0.49 -1.34 0.16 0.00 -1.02 0.00 0.00 32.46 30.75 1gqj n ARG 560 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1gqj n THR 561 N -0.80 0.00 0.20 0.55 -2.24 -1.24 -1.90 114.28 108.86 1gqj n THR 561 Ca 0.11 -1.05 0.18 0.00 -2.27 0.00 0.00 64.05 61.02 1gqj n THR 561 Cb 0.51 -1.38 0.83 0.00 -2.10 0.00 0.00 70.33 68.20 1gqj n THR 561 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1gqj h LYS 562 N 0.00 0.00 -0.01 -0.78 1.57 -1.95 0.21 116.57 115.61 1gqj h LYS 562 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1gqj h LYS 562 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1gqj h LYS 562 CO 0.29 0.00 -0.19 0.25 -0.57 0.00 0.00 179.45 179.23 1gqj n THR 563 N -3.58 0.00 0.00 -0.16 -2.24 -1.26 -4.73 114.28 102.31 1gqj n THR 563 Ca 0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1gqj n THR 563 Cb 0.40 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1gqj n THR 563 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqj n GLY 564 N 1.30 1.63 0.01 3.38 0.00 0.64 -4.98 105.19 107.16 1gqj n GLY 564 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1gqj n GLY 564 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqj n SER 565 N 0.00 0.04 -3.85 1.61 3.41 -0.65 -4.87 113.62 109.32 1gqj n SER 565 Ca 0.00 0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 58.81 1gqj n SER 565 Cb 0.00 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 1gqj n SER 565 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gqj n ASN 566 N -1.54 -4.24 0.21 4.04 5.15 -0.54 -4.87 115.26 113.46 1gqj n ASN 566 Ca 0.07 -0.74 0.06 0.00 -0.60 0.00 0.00 54.58 53.36 1gqj n ASN 566 Cb 0.33 -3.43 0.47 0.00 -0.53 0.00 0.00 39.78 36.62 1gqj n ASN 566 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gqj h ALA 567 N 0.96 1.43 -0.11 5.20 0.00 -1.67 -2.52 119.26 122.54 1gqj h ALA 567 Ca -0.55 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.15 1gqj h ALA 567 Cb 1.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1gqj h ALA 567 CO 0.67 0.33 0.10 -0.07 0.00 0.00 0.00 179.25 180.28 1gqj h LEU 568 N 0.00 0.00 0.00 0.00 3.38 -1.71 0.11 115.31 117.09 1gqj h LEU 568 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqj h LEU 568 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1gqj h LEU 568 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1gqj n ALA 569 N -2.46 1.86 0.84 1.53 0.00 -0.95 -1.28 120.51 120.05 1gqj n ALA 569 Ca -0.00 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1gqj n ALA 569 Cb 0.21 -1.27 0.48 0.00 0.00 0.00 0.00 19.45 18.87 1gqj n ALA 569 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1gqj n GLN 570 N -1.37 0.11 -3.47 0.00 6.02 0.38 -4.85 117.38 114.21 1gqj n GLN 570 Ca 0.06 0.08 -0.25 0.00 -0.01 0.00 0.00 57.00 56.89 1gqj n GLN 570 Cb 0.16 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 29.78 1gqj n GLN 570 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1gqj s TYR 571 N -3.05 3.49 0.54 1.08 2.02 -0.40 -4.86 117.35 116.17 1gqj s TYR 571 Ca 0.12 0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.99 1gqj s TYR 571 Cb 0.16 -1.90 -0.06 0.00 -0.40 0.00 0.00 41.96 39.76 1gqj s TYR 571 CO 0.58 0.20 1.08 -2.30 -1.57 0.00 0.00 175.55 173.53 1gqj n PRO 572 N -1.41 1.23 -0.21 -1.71 -0.02 -1.26 -4.62 135.00 126.99 1gqj n PRO 572 Ca -0.04 0.46 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 1gqj n PRO 572 Cb 0.55 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.85 1gqj n PRO 572 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gqj h GLU 573 N 1.02 -0.03 -0.72 -0.52 4.22 -1.92 0.39 114.58 117.02 1gqj h GLU 573 Ca -0.48 0.00 0.03 0.00 0.08 0.00 0.00 59.36 58.99 1gqj h GLU 573 Cb 1.34 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1gqj h GLU 573 CO 0.54 -0.02 0.48 -1.35 -2.18 0.00 0.00 179.01 176.48 1gqj h PRO 574 N -0.03 0.87 -0.17 0.92 0.11 -1.91 -0.11 132.00 131.69 1gqj h PRO 574 Ca 0.30 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.28 1gqj h PRO 574 Cb 0.48 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1gqj h PRO 574 CO -0.66 0.58 -0.20 0.82 -0.21 0.00 0.00 178.00 178.33 1gqj h ILE 575 N 0.90 1.34 -0.54 4.15 1.08 -1.23 -1.61 117.51 121.59 1gqj h ILE 575 Ca 0.28 -1.38 0.06 0.00 -0.39 0.00 0.00 64.86 63.43 1gqj h ILE 575 Cb 0.02 1.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.57 1gqj h ILE 575 CO -0.08 0.41 0.26 0.00 -0.69 0.00 0.00 178.15 178.06 1gqj h ALA 576 N 0.62 0.70 0.59 1.87 0.00 -0.92 -0.50 119.26 121.61 1gqj h ALA 576 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gqj h ALA 576 Cb 0.75 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1gqj h ALA 576 CO 0.05 -0.10 -0.51 -0.22 0.00 0.00 0.00 179.25 178.47 1gqj h LYS 577 N 0.49 -1.03 -0.61 0.00 3.64 -1.00 0.74 116.57 118.80 1gqj h LYS 577 Ca 0.25 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1gqj h LYS 577 Cb 0.19 0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1gqj h LYS 577 CO -0.19 -0.69 0.31 0.00 -2.27 0.00 0.00 179.45 176.61 1gqj h ALA 578 N -0.97 0.81 0.00 5.00 0.00 -1.12 -1.44 119.26 121.54 1gqj h ALA 578 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gqj h ALA 578 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1gqj h ALA 578 CO -0.02 -0.05 0.00 -1.49 0.00 0.00 0.00 179.25 177.69 1gqj h TRP 579 N 0.57 0.00 0.00 0.00 4.06 -1.07 -1.63 115.95 117.89 1gqj h TRP 579 Ca 0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.23 1gqj h TRP 579 Cb 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 1gqj h TRP 579 CO -0.10 0.00 -0.97 0.41 -3.56 0.00 0.00 178.44 174.22 1gqj n GLY 580 N 0.87 -1.28 3.71 1.49 0.00 0.25 -4.66 105.19 105.56 1gqj n GLY 580 Ca 0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1gqj n GLY 580 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gqj s ASP 581 N -4.19 6.44 0.53 1.61 -1.08 -0.63 -4.96 116.67 114.39 1gqj s ASP 581 Ca 0.03 0.51 0.35 0.00 -0.52 0.00 0.00 52.55 52.92 1gqj s ASP 581 Cb 0.14 -2.20 1.72 0.00 -1.46 0.00 0.00 42.92 41.12 1gqj s ASP 581 CO 0.79 0.05 2.06 -0.07 0.52 0.00 0.00 175.17 178.51 1gqj h LEU 582 N 6.96 0.00 -0.53 -1.34 3.38 -1.87 -1.29 115.31 120.63 1gqj h LEU 582 Ca -0.40 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 1gqj h LEU 582 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1gqj h LEU 582 CO 0.74 0.00 -0.44 -1.13 0.09 0.00 0.00 178.44 177.70 1gqj h ASN 583 N 0.00 0.00 0.00 -0.43 -1.24 -1.93 -3.37 115.58 108.61 1gqj h ASN 583 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1gqj h ASN 583 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1gqj h ASN 583 CO 0.00 0.44 -0.41 -1.54 -1.29 0.00 0.00 177.43 174.63 1gqj n SER 584 N -3.38 2.00 -4.72 1.15 3.41 -0.69 -5.02 113.62 106.36 1gqj n SER 584 Ca 0.01 -0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 57.90 1gqj n SER 584 Cb 0.61 1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.54 1gqj n SER 584 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gqj s VAL 585 N -1.41 3.02 0.34 -3.33 0.11 -0.57 -4.76 120.40 113.79 1gqj s VAL 585 Ca 0.00 0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 59.52 1gqj s VAL 585 Cb 0.00 -3.49 -0.11 0.00 -1.53 0.00 0.00 36.38 31.25 1gqj s VAL 585 CO 0.01 0.08 1.54 -2.84 -3.33 0.00 0.00 175.10 170.55 1gqj s PRO 586 N 0.70 4.11 0.40 1.54 0.02 -1.26 -4.87 135.00 135.64 1gqj s PRO 586 Ca 0.64 2.58 0.13 0.00 0.02 0.00 0.00 61.00 64.37 1gqj s PRO 586 Cb -0.39 -2.99 0.84 0.00 0.02 0.00 0.00 34.50 31.98 1gqj s PRO 586 CO 0.34 -0.58 1.90 0.93 -0.33 0.00 0.00 177.00 179.26 1gqj h GLU 587 N 3.83 0.03 0.00 5.54 5.08 -1.95 -1.43 114.58 125.68 1gqj h GLU 587 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1gqj h GLU 587 Cb 1.23 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1gqj h GLU 587 CO 0.71 0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 178.62 1gqj n ASP 588 N -4.21 0.00 0.00 1.42 5.68 -1.26 -2.56 116.55 115.62 1gqj n ASP 588 Ca -0.02 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 1gqj n ASP 588 Cb 0.32 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1gqj n ASP 588 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1gqj n LEU 589 N -1.36 0.33 -0.21 -2.12 4.77 -0.81 -2.91 117.00 114.69 1gqj n LEU 589 Ca 0.03 -0.47 0.02 0.00 -0.03 0.00 0.00 56.01 55.56 1gqj n LEU 589 Cb 0.07 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.29 1gqj n LEU 589 CO 0.06 0.08 0.94 -0.29 -1.33 0.00 0.00 177.39 176.85 1gqj h ILE 590 N 0.21 0.64 0.00 -0.08 2.10 -1.00 -1.48 117.51 117.89 1gqj h ILE 590 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1gqj h ILE 590 Cb 0.10 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 36.15 1gqj h ILE 590 CO 0.00 0.05 0.00 0.18 -1.08 0.00 0.00 178.15 177.30 1gqj n LEU 591 N -5.10 0.00 0.14 2.19 4.77 -0.78 -1.62 117.00 116.59 1gqj n LEU 591 Ca 0.10 0.41 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 1gqj n LEU 591 Cb 0.35 -0.41 0.23 0.00 -2.33 0.00 0.00 43.42 41.25 1gqj n LEU 591 CO 0.17 -0.16 0.58 -0.50 -1.33 0.00 0.00 177.39 176.15 1gqj h TRP 592 N 0.00 0.06 0.00 -1.77 4.06 -1.24 -1.72 115.95 115.34 1gqj h TRP 592 Ca 0.00 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1gqj h TRP 592 Cb 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1gqj h TRP 592 CO 0.00 0.56 -0.28 1.19 -3.56 0.00 0.00 178.44 176.35 1gqj n PHE 593 N -3.92 0.00 -4.02 0.49 3.72 -0.70 -4.48 117.46 108.55 1gqj n PHE 593 Ca -0.02 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.23 1gqj n PHE 593 Cb 0.54 -0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.93 1gqj n PHE 593 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1gqj s HIS 594 N -1.28 0.31 -0.37 1.38 3.76 -0.64 -1.43 115.29 117.01 1gqj s HIS 594 Ca 0.00 -0.04 -0.16 0.00 -0.15 0.00 0.00 55.06 54.71 1gqj s HIS 594 Cb 0.00 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.44 1gqj s HIS 594 CO 0.01 -0.04 0.39 -1.58 -0.85 0.00 0.00 174.74 172.67 1gqj s HIS 595 N 0.24 3.19 0.06 1.40 2.46 -1.26 -3.23 115.29 118.15 1gqj s HIS 595 Ca -0.02 -0.16 0.08 0.00 0.47 0.00 0.00 55.06 55.43 1gqj s HIS 595 Cb -0.05 -2.76 -0.03 0.00 -0.13 0.00 0.00 32.58 29.61 1gqj s HIS 595 CO -0.01 -0.54 -0.21 -0.51 -2.47 0.00 0.00 174.74 171.00 1gqj s LEU 596 N 2.07 2.48 0.56 8.88 1.43 0.23 -4.90 118.68 129.43 1gqj s LEU 596 Ca 0.12 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 1gqj s LEU 596 Cb -0.17 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1gqj s LEU 596 CO 0.12 0.24 1.23 -0.94 0.23 0.00 0.00 176.35 177.24 1gqj s SER 597 N -1.53 5.40 0.64 2.29 1.04 -1.26 -1.07 113.70 119.21 1gqj s SER 597 Ca 0.14 2.46 0.38 0.00 0.48 0.00 0.00 55.95 59.41 1gqj s SER 597 Cb -0.10 -2.61 2.16 0.00 0.10 0.00 0.00 66.02 65.57 1gqj s SER 597 CO 0.05 -1.45 2.31 -0.50 0.98 0.00 0.00 173.24 174.63 1gqj h TRP 598 N 1.25 0.00 -0.00 5.02 4.06 -1.79 -1.50 115.95 122.99 1gqj h TRP 598 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1gqj h TRP 598 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.45 1gqj h TRP 598 CO 0.48 0.00 -0.06 -0.25 -3.56 0.00 0.00 178.44 175.05 1gqj n ASP 599 N -3.39 0.48 -4.68 -3.49 8.00 -1.26 -2.21 116.55 109.99 1gqj n ASP 599 Ca -0.03 -0.79 -0.44 0.00 0.71 0.00 0.00 54.79 54.23 1gqj n ASP 599 Cb 0.09 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1gqj n ASP 599 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1gqj n HIS 600 N -0.81 2.33 -3.44 1.24 -0.00 -0.57 -4.68 115.22 109.29 1gqj n HIS 600 Ca 0.18 0.34 -0.38 0.00 -0.00 0.00 0.00 57.72 57.87 1gqj n HIS 600 Cb 0.24 -2.51 -0.06 0.00 -0.00 0.00 0.00 29.99 27.66 1gqj n HIS 600 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1gqj s ARG 601 N -0.01 4.17 0.59 1.57 0.52 -1.26 -0.87 118.95 123.66 1gqj s ARG 601 Ca 0.71 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 1gqj s ARG 601 Cb -0.63 -3.36 0.05 0.00 0.52 0.00 0.00 34.95 31.54 1gqj s ARG 601 CO 0.46 0.37 0.83 -1.64 0.02 0.00 0.00 175.30 175.34 1gqj s MET 602 N -0.02 2.36 0.40 3.54 -1.94 -0.25 -4.97 119.30 118.42 1gqj s MET 602 Ca 0.23 -0.82 0.14 0.00 -1.71 0.00 0.00 55.69 53.53 1gqj s MET 602 Cb -0.15 -2.44 0.98 0.00 2.01 0.00 0.00 34.83 35.23 1gqj s MET 602 CO 0.10 -0.89 1.88 1.96 -0.01 0.00 0.00 175.02 178.06 1gqj h GLN 603 N -0.08 0.50 0.00 2.03 4.20 -1.98 -1.93 115.11 117.84 1gqj h GLN 603 Ca -0.41 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1gqj h GLN 603 Cb 1.29 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1gqj h GLN 603 CO 0.50 0.33 0.00 -1.13 -0.67 0.00 0.00 178.83 177.86 1gqj n SER 604 N -4.52 0.60 0.00 1.46 3.41 -1.26 -4.89 113.62 108.42 1gqj n SER 604 Ca 0.17 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1gqj n SER 604 Cb 0.55 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1gqj n SER 604 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqj n GLY 605 N -0.05 2.99 3.80 5.00 0.00 -0.72 -5.07 105.19 111.14 1gqj n GLY 605 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1gqj n GLY 605 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj s ARG 606 N -0.83 4.10 1.04 1.61 0.52 -1.26 -4.75 118.95 119.38 1gqj s ARG 606 Ca 0.00 1.28 -0.15 0.00 -0.52 0.00 0.00 55.73 56.34 1gqj s ARG 606 Cb 0.00 -2.25 0.21 0.00 0.52 0.00 0.00 34.95 33.43 1gqj s ARG 606 CO 0.00 -0.16 1.12 0.54 0.02 0.00 0.00 175.30 176.82 1gqj s ASN 607 N -1.97 2.28 0.20 0.23 2.20 -1.26 -1.09 114.94 115.53 1gqj s ASN 607 Ca 0.62 0.92 -0.08 0.00 -0.94 0.00 0.00 52.86 53.38 1gqj s ASN 607 Cb -0.14 -1.42 0.13 0.00 -2.00 0.00 0.00 41.25 37.81 1gqj s ASN 607 CO 0.18 -3.32 1.74 0.25 -2.94 0.00 0.00 177.10 173.02 1gqj h LEU 608 N -2.02 1.07 -0.29 3.54 5.85 -0.52 0.11 115.31 123.05 1gqj h LEU 608 Ca -0.51 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.00 1gqj h LEU 608 Cb 1.32 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1gqj h LEU 608 CO 0.51 1.00 0.18 -0.25 -0.34 0.00 0.00 178.44 179.54 1gqj h TRP 609 N 1.09 0.38 -0.60 1.25 2.91 -1.83 0.16 115.95 119.31 1gqj h TRP 609 Ca 0.24 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 1gqj h TRP 609 Cb 0.31 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.81 1gqj h TRP 609 CO 0.03 0.28 0.32 1.96 -1.03 0.00 0.00 178.44 179.99 1gqj h GLN 610 N 0.38 0.84 -0.54 2.65 4.20 -1.76 -1.21 115.11 119.67 1gqj h GLN 610 Ca 0.11 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1gqj h GLN 610 Cb 0.01 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1gqj h GLN 610 CO -0.02 0.66 -0.04 1.49 -0.67 0.00 0.00 178.83 180.25 1gqj h GLU 611 N 0.81 0.98 -0.14 1.46 4.57 -0.63 -0.43 114.58 121.21 1gqj h GLU 611 Ca 0.21 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1gqj h GLU 611 Cb 0.07 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1gqj h GLU 611 CO -0.03 1.01 -0.09 1.25 -1.18 0.00 0.00 179.01 179.97 1gqj h LEU 612 N 0.86 -0.28 -0.54 1.64 6.46 -0.06 -0.95 115.31 122.43 1gqj h LEU 612 Ca 0.15 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1gqj h LEU 612 Cb 0.59 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1gqj h LEU 612 CO 0.04 -0.12 0.35 0.58 -0.62 0.00 0.00 178.44 178.67 1gqj h VAL 613 N -0.08 1.12 -0.50 1.05 2.07 -1.08 -2.29 116.25 116.54 1gqj h VAL 613 Ca 0.08 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1gqj h VAL 613 Cb 0.21 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1gqj h VAL 613 CO -0.19 0.13 0.27 -0.74 0.02 0.00 0.00 177.57 177.06 1gqj h HIS 614 N 0.72 0.51 -0.36 1.57 -0.00 -0.69 -0.72 115.15 116.17 1gqj h HIS 614 Ca 0.20 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 1gqj h HIS 614 Cb -0.06 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.18 1gqj h HIS 614 CO -0.04 0.27 0.10 0.87 -0.00 0.00 0.00 177.93 179.13 1gqj h LYS 615 N 0.54 0.57 -0.66 5.26 1.79 -0.97 0.19 116.57 123.29 1gqj h LYS 615 Ca 0.21 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1gqj h LYS 615 Cb 0.07 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1gqj h LYS 615 CO -0.12 0.60 0.36 1.88 -1.08 0.00 0.00 179.45 181.09 1gqj h TYR 616 N 0.44 0.91 -0.27 -1.35 -1.99 -1.14 -1.35 116.97 112.22 1gqj h TYR 616 Ca 0.12 -0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.69 1gqj h TYR 616 Cb 0.28 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1gqj h TYR 616 CO 0.01 0.66 -0.38 1.88 -0.00 0.00 0.00 178.16 180.33 1gqj h TYR 617 N 0.91 0.74 -0.90 4.88 0.05 -1.03 -3.12 116.97 118.49 1gqj h TYR 617 Ca 0.23 -0.21 0.05 0.00 0.05 0.00 0.00 58.73 58.85 1gqj h TYR 617 Cb 0.05 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.57 1gqj h TYR 617 CO -0.00 0.91 0.57 0.37 -1.05 0.00 0.00 178.16 178.96 1gqj h GLN 618 N 0.52 1.04 -0.59 4.88 4.15 0.15 -2.05 115.11 123.21 1gqj h GLN 618 Ca 0.05 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1gqj h GLN 618 Cb 0.89 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 1gqj h GLN 618 CO 0.08 0.69 0.37 0.78 -1.93 0.00 0.00 178.83 178.82 1gqj h GLY 619 N 1.08 0.85 1.01 2.39 0.00 -1.22 0.11 103.07 107.29 1gqj h GLY 619 Ca 0.38 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1gqj h GLY 619 CO -0.15 0.34 0.17 -2.08 0.00 0.00 0.00 176.54 174.81 1gqj h VAL 620 N 0.80 1.25 -0.36 4.60 2.07 -1.50 -2.17 116.25 120.93 1gqj h VAL 620 Ca 0.21 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1gqj h VAL 620 Cb -0.04 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1gqj h VAL 620 CO -0.04 0.33 -0.03 -0.33 0.02 0.00 0.00 177.57 177.52 1gqj h GLU 621 N 0.87 0.59 -0.35 1.57 4.39 -0.91 -0.93 114.58 119.81 1gqj h GLU 621 Ca 0.19 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1gqj h GLU 621 Cb 0.32 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1gqj h GLU 621 CO -0.00 0.63 -0.20 1.96 -1.16 0.00 0.00 179.01 180.24 1gqj h GLN 622 N 0.56 0.67 -0.51 2.33 4.20 -0.44 -0.18 115.11 121.72 1gqj h GLN 622 Ca 0.11 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1gqj h GLN 622 Cb 0.40 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1gqj h GLN 622 CO 0.02 0.82 -0.13 0.28 -0.67 0.00 0.00 178.83 179.15 1gqj h VAL 623 N 0.59 1.27 -0.71 -0.54 2.07 -0.88 -0.62 116.25 117.42 1gqj h VAL 623 Ca 0.09 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1gqj h VAL 623 Cb 0.67 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1gqj h VAL 623 CO 0.05 0.45 0.21 0.03 0.02 0.00 0.00 177.57 178.33 1gqj h ARG 624 N 0.86 1.10 -0.54 1.57 3.08 -0.88 -0.71 114.38 118.85 1gqj h ARG 624 Ca 0.13 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1gqj h ARG 624 Cb 0.69 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1gqj h ARG 624 CO 0.05 0.94 0.07 0.00 -1.07 0.00 0.00 179.97 179.96 1gqj h ALA 625 N 1.17 1.10 -0.88 0.04 0.00 -0.86 -2.27 119.26 117.56 1gqj h ALA 625 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1gqj h ALA 625 Cb 0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1gqj h ALA 625 CO -0.01 0.58 0.51 0.52 0.00 0.00 0.00 179.25 180.86 1gqj h MET 626 N 0.82 1.22 -0.23 0.00 2.86 -0.43 -0.32 114.93 118.86 1gqj h MET 626 Ca 0.17 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1gqj h MET 626 Cb 0.40 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1gqj h MET 626 CO 0.01 0.87 0.08 1.96 1.06 0.00 0.00 176.91 180.89 1gqj h GLN 627 N 1.22 0.18 -0.47 1.72 4.20 -0.72 0.03 115.11 121.28 1gqj h GLN 627 Ca 0.31 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 1gqj h GLN 627 Cb -0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1gqj h GLN 627 CO -0.05 0.12 0.06 0.00 -0.67 0.00 0.00 178.83 178.29 1gqj h ARG 628 N 0.19 0.78 -0.24 1.46 3.08 -1.18 -1.14 114.38 117.33 1gqj h ARG 628 Ca 0.10 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1gqj h ARG 628 Cb 0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1gqj h ARG 628 CO -0.10 0.81 0.02 1.15 -1.07 0.00 0.00 179.97 180.78 1gqj h THR 629 N 0.65 0.86 -0.57 2.04 2.02 -0.86 -2.86 112.91 114.19 1gqj h THR 629 Ca 0.14 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1gqj h THR 629 Cb 0.41 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1gqj h THR 629 CO 0.01 0.02 0.10 -0.25 0.37 0.00 0.00 175.52 175.77 1gqj h TRP 630 N 0.11 0.99 -0.51 3.16 2.91 -0.49 -2.29 115.95 119.82 1gqj h TRP 630 Ca 0.11 -0.13 0.15 0.00 1.13 0.00 0.00 58.89 60.15 1gqj h TRP 630 Cb 0.13 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 1gqj h TRP 630 CO -0.17 0.86 0.40 -0.44 -1.03 0.00 0.00 178.44 178.07 1gqj h ASP 631 N 0.83 0.00 0.15 2.65 3.32 -1.10 -0.54 116.42 121.74 1gqj h ASP 631 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1gqj h ASP 631 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1gqj h ASP 631 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1gqj n GLN 632 N -4.18 0.64 -0.24 3.56 6.02 -0.86 -3.67 117.38 118.65 1gqj n GLN 632 Ca 0.09 0.02 0.09 0.00 -0.01 0.00 0.00 57.00 57.19 1gqj n GLN 632 Cb 0.62 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.60 1gqj n GLN 632 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1gqj n GLN 633 N -1.10 2.61 -0.03 -1.09 1.13 -0.21 -4.68 117.38 114.02 1gqj n GLN 633 Ca 0.16 -2.25 0.07 0.00 -1.94 0.00 0.00 57.00 53.04 1gqj n GLN 633 Cb 0.12 -1.41 0.45 0.00 0.11 0.00 0.00 30.24 29.51 1gqj n GLN 633 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1gqj h GLU 634 N 3.20 0.49 0.00 -1.09 4.81 -1.72 -0.28 114.58 120.00 1gqj h GLU 634 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1gqj h GLU 634 Cb 0.84 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1gqj h GLU 634 CO 0.00 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 178.61 1gqj h ALA 635 N 1.73 1.00 0.00 2.92 0.00 -1.90 -3.25 119.26 119.75 1gqj h ALA 635 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gqj h ALA 635 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1gqj h ALA 635 CO -0.05 0.00 -1.16 0.66 0.00 0.00 0.00 179.25 178.70 1gqj n TYR 636 N -2.56 0.00 -4.57 0.00 4.01 -0.13 -4.97 117.16 108.94 1gqj n TYR 636 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 1gqj n TYR 636 Cb 0.27 -0.14 -0.13 0.00 -0.31 0.00 0.00 39.34 39.03 1gqj n TYR 636 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gqj s VAL 637 N -2.83 2.45 0.52 -0.72 1.01 -1.11 -4.72 120.40 115.00 1gqj s VAL 637 Ca 0.02 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.29 1gqj s VAL 637 Cb 0.12 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 1gqj s VAL 637 CO 0.72 0.22 1.35 1.51 0.00 0.00 0.00 175.10 178.90 1gqj s ASP 638 N -1.72 5.47 0.33 3.32 -4.77 -1.26 -4.79 116.67 113.26 1gqj s ASP 638 Ca 0.14 2.75 0.08 0.00 -3.30 0.00 0.00 52.55 52.22 1gqj s ASP 638 Cb -0.10 -2.64 0.79 0.00 -1.09 0.00 0.00 42.92 39.88 1gqj s ASP 638 CO 0.06 -1.43 1.82 0.00 0.70 0.00 0.00 175.17 176.31 1gqj h ALA 639 N 1.69 1.79 0.39 2.11 0.00 -1.98 -1.56 119.26 121.69 1gqj h ALA 639 Ca -0.51 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1gqj h ALA 639 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1gqj h ALA 639 CO 0.58 -0.10 -0.19 0.00 0.00 0.00 0.00 179.25 179.55 1gqj h ALA 640 N 1.61 -0.52 -0.48 0.00 0.00 -1.90 -1.05 119.26 116.92 1gqj h ALA 640 Ca 0.52 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1gqj h ALA 640 Cb 0.86 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1gqj h ALA 640 CO -0.29 -0.61 0.05 0.00 0.00 0.00 0.00 179.25 178.40 1gqj h ARG 641 N -0.88 0.77 -0.11 0.00 3.08 -1.76 -1.31 114.38 114.15 1gqj h ARG 641 Ca -0.05 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.85 1gqj h ARG 641 Cb 0.54 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1gqj h ARG 641 CO 0.09 0.74 -0.10 0.35 -1.07 0.00 0.00 179.97 179.98 1gqj h PHE 642 N 0.73 -0.24 -0.56 3.04 3.57 -1.25 -0.82 116.94 121.40 1gqj h PHE 642 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1gqj h PHE 642 Cb 0.37 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1gqj h PHE 642 CO 0.02 -0.15 0.18 0.00 -2.23 0.00 0.00 178.31 176.13 1gqj h ALA 643 N 0.97 1.26 -0.16 2.41 0.00 -0.88 -0.58 119.26 122.27 1gqj h ALA 643 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1gqj h ALA 643 Cb 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gqj h ALA 643 CO -0.19 0.53 -0.09 0.37 0.00 0.00 0.00 179.25 179.88 1gqj h GLN 644 N 0.82 0.33 -0.44 0.00 4.15 -0.92 -1.53 115.11 117.52 1gqj h GLN 644 Ca 0.19 -0.15 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 1gqj h GLN 644 Cb 0.23 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1gqj h GLN 644 CO -0.01 0.66 -0.20 0.28 -1.93 0.00 0.00 178.83 177.63 1gqj h VAL 645 N -0.00 1.27 -0.23 2.39 2.07 -0.98 -1.52 116.25 119.24 1gqj h VAL 645 Ca 0.03 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1gqj h VAL 645 Cb 0.57 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1gqj h VAL 645 CO 0.02 0.46 -0.08 0.50 0.02 0.00 0.00 177.57 178.49 1gqj h LYS 646 N 0.77 -0.04 -0.42 1.57 3.64 -1.06 -1.20 116.57 119.83 1gqj h LYS 646 Ca 0.11 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1gqj h LYS 646 Cb 0.74 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1gqj h LYS 646 CO 0.06 -0.03 0.02 0.00 -2.27 0.00 0.00 179.45 177.23 1gqj h ALA 647 N 1.18 0.56 -0.89 5.00 0.00 -1.12 -2.37 119.26 121.62 1gqj h ALA 647 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1gqj h ALA 647 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1gqj h ALA 647 CO -0.26 0.32 0.59 -0.07 0.00 0.00 0.00 179.25 179.83 1gqj h LEU 648 N 0.56 1.02 -1.47 0.00 3.38 -1.12 -1.77 115.31 115.92 1gqj h LEU 648 Ca 0.12 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1gqj h LEU 648 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1gqj h LEU 648 CO 0.02 0.74 0.28 -0.07 0.09 0.00 0.00 178.44 179.50 1gqj h LEU 649 N 1.21 0.56 -0.78 1.67 3.38 -1.12 0.20 115.31 120.43 1gqj h LEU 649 Ca 0.33 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1gqj h LEU 649 Cb -0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1gqj h LEU 649 CO -0.07 0.44 0.26 1.56 0.09 0.00 0.00 178.44 180.72 1gqj h GLN 650 N 0.65 1.17 -0.35 1.13 4.20 -0.80 0.26 115.11 121.38 1gqj h GLN 650 Ca 0.17 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1gqj h GLN 650 Cb -0.02 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1gqj h GLN 650 CO -0.03 0.98 -0.10 0.28 -0.67 0.00 0.00 178.83 179.28 1gqj h VAL 651 N 1.13 1.28 -0.74 -0.54 2.07 -0.73 -2.32 116.25 116.40 1gqj h VAL 651 Ca 0.25 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1gqj h VAL 651 Cb 0.28 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1gqj h VAL 651 CO -0.01 0.39 0.49 -0.61 0.02 0.00 0.00 177.57 177.84 1gqj h GLN 652 N 0.47 0.97 -0.64 1.57 4.15 -0.50 -0.58 115.11 120.55 1gqj h GLN 652 Ca 0.09 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1gqj h GLN 652 Cb 0.62 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1gqj h GLN 652 CO 0.04 0.64 0.31 1.49 -1.93 0.00 0.00 178.83 179.38 1gqj h GLU 653 N 1.00 0.91 -0.40 1.69 4.22 -0.79 0.23 114.58 121.45 1gqj h GLU 653 Ca 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 59.36 59.58 1gqj h GLU 653 Cb -0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1gqj h GLU 653 CO -0.07 0.72 0.20 -0.09 -2.18 0.00 0.00 179.01 177.60 1gqj h ARG 654 N 0.87 0.57 -0.35 1.92 2.43 -1.14 -1.55 114.38 117.12 1gqj h ARG 654 Ca 0.22 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1gqj h ARG 654 Cb 0.10 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1gqj h ARG 654 CO -0.03 0.48 -0.22 0.93 -1.51 0.00 0.00 179.97 179.62 1gqj h GLU 655 N 0.51 0.69 -0.78 0.20 4.39 -0.90 -1.75 114.58 116.92 1gqj h GLU 655 Ca 0.14 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1gqj h GLU 655 Cb 0.10 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1gqj h GLU 655 CO -0.02 0.85 0.29 0.00 -1.16 0.00 0.00 179.01 178.97 1gqj h ALA 656 N 1.15 1.02 -0.42 3.43 0.00 -0.30 0.35 119.26 124.49 1gqj h ALA 656 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1gqj h ALA 656 Cb 0.70 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1gqj h ALA 656 CO 0.05 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.35 1gqj h VAL 657 N 1.15 1.23 -0.56 0.00 2.07 -1.16 0.12 116.25 119.10 1gqj h VAL 657 Ca 0.26 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1gqj h VAL 657 Cb 0.24 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1gqj h VAL 657 CO -0.02 0.28 0.37 -0.09 0.02 0.00 0.00 177.57 178.13 1gqj h ARG 658 N 0.54 0.73 0.11 1.57 2.43 -0.62 0.14 114.38 119.29 1gqj h ARG 658 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1gqj h ARG 658 Cb 0.32 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1gqj h ARG 658 CO 0.00 0.48 -0.08 -1.49 -1.51 0.00 0.00 179.97 177.38 1gqj h TRP 659 N 0.75 -0.20 0.17 2.20 4.06 -0.01 -1.46 115.95 121.47 1gqj h TRP 659 Ca 0.21 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.17 1gqj h TRP 659 Cb -0.08 0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 1gqj h TRP 659 CO -0.04 -0.12 -0.29 -0.09 -3.56 0.00 0.00 178.44 174.35 1gqj h ARG 660 N -0.19 -0.51 -0.50 0.49 2.43 -0.51 -1.11 114.38 114.48 1gqj h ARG 660 Ca -0.01 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1gqj h ARG 660 Cb 0.16 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1gqj h ARG 660 CO 0.00 -0.34 0.31 -0.91 -1.51 0.00 0.00 179.97 177.52 1gqj h ASN 661 N -0.53 0.52 -0.57 -3.80 4.21 -1.00 -0.20 115.58 114.21 1gqj h ASN 661 Ca 0.02 -0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 1gqj h ASN 661 Cb 0.54 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1gqj h ASN 661 CO -0.14 0.37 0.24 0.28 -1.29 0.00 0.00 177.43 176.90 1gqj h SER 662 N 0.63 0.77 -0.01 5.81 0.02 -1.08 -0.35 113.55 119.34 1gqj h SER 662 Ca 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1gqj h SER 662 Cb -0.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1gqj h SER 662 CO -0.07 0.71 -0.07 0.00 -1.14 0.00 0.00 176.83 176.26 1gqj h VAL 664 N -0.65 1.08 -0.29 0.00 2.07 -1.04 -0.45 116.25 116.97 1gqj h VAL 664 Ca -0.01 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1gqj h VAL 664 Cb 0.80 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1gqj h VAL 664 CO 0.01 0.11 -0.24 -0.07 0.02 0.00 0.00 177.57 177.41 1gqj h LEU 665 N 0.61 0.56 0.21 2.57 3.38 -1.14 -0.13 115.31 121.37 1gqj h LEU 665 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1gqj h LEU 665 Cb -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1gqj h LEU 665 CO -0.07 0.79 -0.10 0.22 0.09 0.00 0.00 178.44 179.37 1gqj h TYR 666 N 0.49 -0.26 0.00 1.13 3.20 -0.87 -1.51 116.97 119.15 1gqj h TYR 666 Ca 0.07 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1gqj h TYR 666 Cb 0.67 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1gqj h TYR 666 CO 0.03 0.06 -0.24 0.74 -1.64 0.00 0.00 178.16 177.11 1gqj h PHE 667 N -0.60 0.00 -0.60 -3.82 0.04 -1.07 -2.00 116.94 108.89 1gqj h PHE 667 Ca -0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1gqj h PHE 667 Cb 0.44 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 1gqj h PHE 667 CO 0.03 0.24 0.24 0.37 -0.60 0.00 0.00 178.31 178.58 1gqj h GLN 668 N 0.00 0.89 0.00 1.51 4.15 -0.96 0.39 115.11 121.10 1gqj h GLN 668 Ca -0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1gqj h GLN 668 Cb 0.42 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1gqj h GLN 668 CO 0.03 0.76 -0.05 0.66 -1.93 0.00 0.00 178.83 178.31 1gqj h SER 669 N 0.83 0.00 0.00 -0.69 4.64 -0.53 0.45 113.55 118.25 1gqj h SER 669 Ca 0.20 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.22 1gqj h SER 669 Cb 0.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1gqj h SER 669 CO -0.02 0.05 -1.64 0.52 -0.87 0.00 0.00 176.83 174.87 1gqj n VAL 670 N -3.32 1.53 -0.05 0.95 0.31 -0.95 -4.47 118.33 112.34 1gqj n VAL 670 Ca -0.02 -0.13 -0.06 0.00 -0.01 0.00 0.00 64.34 64.12 1gqj n VAL 670 Cb 0.20 -2.00 0.12 0.00 -0.91 0.00 0.00 33.84 31.25 1gqj n VAL 670 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gqj h ALA 671 N -0.65 0.94 -2.64 3.52 0.00 -0.10 -3.30 119.26 117.02 1gqj h ALA 671 Ca -0.45 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 1gqj h ALA 671 Cb 1.39 -0.14 0.05 0.00 0.00 0.00 0.00 17.79 19.09 1gqj h ALA 671 CO -0.27 0.61 -0.25 0.41 0.00 0.00 0.00 179.25 179.74 1gqj n GLY 672 N -0.25 0.35 3.37 0.00 0.00 0.16 -4.81 105.19 104.01 1gqj n GLY 672 Ca -0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1gqj n GLY 672 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj s ARG 673 N -5.37 1.36 0.50 1.61 0.52 -1.25 -5.09 118.95 111.22 1gqj s ARG 673 Ca 0.20 -1.35 -0.18 0.00 -0.52 0.00 0.00 55.73 53.88 1gqj s ARG 673 Cb -0.09 -1.75 -0.08 0.00 0.52 0.00 0.00 34.95 33.54 1gqj s ARG 673 CO 0.24 0.40 0.98 -1.25 0.02 0.00 0.00 175.30 175.70 1gqj s PRO 674 N -2.19 3.98 -0.17 3.54 0.05 -1.26 -4.84 135.00 134.11 1gqj s PRO 674 Ca 0.14 1.01 -0.29 0.00 0.05 0.00 0.00 61.00 61.91 1gqj s PRO 674 Cb -0.09 -2.14 -0.00 0.00 0.05 0.00 0.00 34.50 32.31 1gqj s PRO 674 CO 0.06 -0.25 1.08 0.42 0.05 0.00 0.00 177.00 178.37 1gqj s ILE 675 N -2.50 4.61 0.26 0.56 1.01 -1.26 -4.99 121.20 118.90 1gqj s ILE 675 Ca 0.60 1.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.88 1gqj s ILE 675 Cb -0.10 -4.24 -0.14 0.00 0.01 0.00 0.00 42.46 37.98 1gqj s ILE 675 CO 0.27 -0.11 1.06 -2.65 0.00 0.00 0.00 174.94 173.51 1gqj n PRO 676 N 5.93 1.35 0.25 2.79 -0.02 -1.26 -4.86 135.00 139.19 1gqj n PRO 676 Ca 0.11 0.48 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 1gqj n PRO 676 Cb 0.47 -1.89 0.90 0.00 -0.02 0.00 0.00 33.50 32.95 1gqj n PRO 676 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqj h ALA 677 N 2.41 1.60 0.00 3.55 0.00 -2.03 -2.33 119.26 122.46 1gqj h ALA 677 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1gqj h ALA 677 Cb 1.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1gqj h ALA 677 CO 0.63 -0.23 0.00 -2.95 0.00 0.00 0.00 179.25 176.70 1gqj h ASN 678 N 0.00 0.00 -3.71 0.00 -1.07 -2.05 -3.44 115.58 105.31 1gqj h ASN 678 Ca 0.06 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 55.93 1gqj h ASN 678 Cb 0.40 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.62 1gqj h ASN 678 CO -0.00 0.00 0.12 -0.31 0.07 0.00 0.00 177.43 177.31 1gqj s TYR 679 N -3.73 3.45 -0.19 4.14 2.02 -0.88 -5.01 117.35 117.16 1gqj s TYR 679 Ca 0.00 1.30 -0.29 0.00 -0.37 0.00 0.00 57.07 57.72 1gqj s TYR 679 Cb 0.10 -2.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 1gqj s TYR 679 CO 0.51 0.15 1.64 -2.00 -1.57 0.00 0.00 175.55 174.28 1gqj s GLU 680 N -2.69 3.85 0.13 -0.62 2.12 -1.26 -4.96 118.70 115.26 1gqj s GLU 680 Ca 0.51 1.76 -0.31 0.00 0.36 0.00 0.00 54.97 57.30 1gqj s GLU 680 Cb -0.12 -4.03 -0.07 0.00 0.26 0.00 0.00 34.13 30.16 1gqj s GLU 680 CO 0.18 -1.23 1.28 -0.65 -0.54 0.00 0.00 175.26 174.30 1gqj s GLN 681 N 4.60 4.40 0.38 4.30 -1.52 -1.26 -4.99 119.66 125.57 1gqj s GLN 681 Ca 0.72 1.94 -0.28 0.00 -1.95 0.00 0.00 55.36 55.79 1gqj s GLN 681 Cb -0.27 -3.27 -0.11 0.00 -0.22 0.00 0.00 33.01 29.15 1gqj s GLN 681 CO 0.29 -0.28 1.48 -2.14 -0.25 0.00 0.00 175.29 174.39 1gqj s PRO 682 N 0.62 4.09 0.04 2.91 0.02 -1.26 -4.93 135.00 136.49 1gqj s PRO 682 Ca 0.59 2.55 -0.09 0.00 0.02 0.00 0.00 61.00 64.07 1gqj s PRO 682 Cb -0.34 -2.95 -0.31 0.00 0.02 0.00 0.00 34.50 30.92 1gqj s PRO 682 CO 0.32 -0.54 1.03 1.49 -0.33 0.00 0.00 177.00 178.97 1gqj h GLU 683 N 2.96 0.37 -6.92 5.54 4.22 -2.03 -3.46 114.58 115.27 1gqj h GLU 683 Ca -0.51 -0.64 -0.47 0.00 0.08 0.00 0.00 59.36 57.82 1gqj h GLU 683 Cb 1.24 0.24 0.04 0.00 0.50 0.00 0.00 28.75 30.77 1gqj h GLU 683 CO 0.64 1.29 0.06 -1.01 -2.18 0.00 0.00 179.01 177.82 1gqj s HIS 684 N -2.63 3.33 0.74 0.92 3.76 -1.26 -5.10 115.29 115.05 1gqj s HIS 684 Ca -0.07 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1gqj s HIS 684 Cb 0.06 -2.47 0.15 0.00 1.11 0.00 0.00 32.58 31.42 1gqj s HIS 684 CO 0.90 -0.51 1.02 0.16 -0.85 0.00 0.00 174.74 175.46 1gqj s ASP 685 N -4.22 4.22 0.25 1.40 3.84 -1.26 -5.00 116.67 115.90 1gqj s ASP 685 Ca 0.50 -0.53 -0.06 0.00 -0.00 0.00 0.00 52.55 52.46 1gqj s ASP 685 Cb -0.10 0.25 0.26 0.00 -1.38 0.00 0.00 42.92 41.95 1gqj s ASP 685 CO 0.43 -1.97 1.87 0.25 -0.00 0.00 0.00 175.17 175.75 1gqj h LEU 686 N -0.57 1.09 -1.15 2.11 5.85 -1.95 -2.81 115.31 117.88 1gqj h LEU 686 Ca -0.34 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1gqj h LEU 686 Cb 1.26 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1gqj h LEU 686 CO 0.37 0.87 0.58 -0.08 -0.34 0.00 0.00 178.44 179.84 1gqj h GLU 687 N 1.23 1.04 -0.78 1.25 4.57 -1.99 -0.22 114.58 119.68 1gqj h GLU 687 Ca 0.31 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1gqj h GLU 687 Cb 0.01 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 1gqj h GLU 687 CO -0.05 0.69 0.46 -0.92 -1.18 0.00 0.00 179.01 178.00 1gqj h TYR 688 N 1.07 1.04 0.00 0.92 5.03 -1.89 -0.55 116.97 122.59 1gqj h TYR 688 Ca 0.36 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.55 1gqj h TYR 688 Cb 0.09 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 1gqj h TYR 688 CO -0.00 0.70 -0.54 1.88 -1.32 0.00 0.00 178.16 178.89 1gqj h TYR 689 N 1.07 0.00 -0.59 -3.82 -1.99 -1.26 0.12 116.97 110.49 1gqj h TYR 689 Ca 0.28 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.91 1gqj h TYR 689 Cb -0.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 1gqj h TYR 689 CO -0.00 0.54 0.00 0.87 -0.00 0.00 0.00 178.16 179.56 1gqj h LYS 690 N 0.00 1.03 -0.37 4.88 1.57 -0.76 -1.34 116.57 121.57 1gqj h LYS 690 Ca -0.01 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1gqj h LYS 690 Cb 1.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1gqj h LYS 690 CO 0.07 1.01 0.10 1.98 -0.57 0.00 0.00 179.45 182.03 1gqj h MET 691 N 0.94 0.59 -0.49 3.15 4.05 -0.65 -2.02 114.93 120.51 1gqj h MET 691 Ca 0.17 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1gqj h MET 691 Cb 0.54 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1gqj h MET 691 CO 0.03 0.63 0.20 -0.07 0.23 0.00 0.00 176.91 177.93 1gqj h LEU 692 N 0.46 0.63 -1.26 3.39 3.38 -0.61 -1.89 115.31 119.40 1gqj h LEU 692 Ca 0.12 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1gqj h LEU 692 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1gqj h LEU 692 CO 0.00 0.57 -0.14 0.00 0.09 0.00 0.00 178.44 178.97 1gqj h ALA 693 N 1.53 1.39 0.00 1.53 0.00 -0.96 0.20 119.26 122.95 1gqj h ALA 693 Ca 0.17 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1gqj h ALA 693 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gqj h ALA 693 CO -0.02 0.42 -0.48 0.00 0.00 0.00 0.00 179.25 179.17 1gqj h ARG 694 N 0.32 0.00 -0.00 0.00 3.08 -0.67 -3.39 114.38 113.71 1gqj h ARG 694 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1gqj h ARG 694 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1gqj h ARG 694 CO 0.03 0.48 -0.13 0.25 -1.07 0.00 0.00 179.97 179.53 1gqj n THR 695 N -3.36 0.00 -2.57 2.04 -2.24 -0.78 -4.72 114.28 102.66 1gqj n THR 695 Ca 0.01 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 1gqj n THR 695 Cb 0.65 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.86 1gqj n THR 695 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gqj s THR 696 N -1.20 4.51 0.22 4.28 2.01 0.65 -4.96 115.64 121.16 1gqj s THR 696 Ca 0.01 1.81 -0.32 0.00 0.31 0.00 0.00 61.69 63.51 1gqj s THR 696 Cb 0.02 -4.17 -0.14 0.00 0.01 0.00 0.00 72.50 68.23 1gqj s THR 696 CO 0.11 -0.03 1.42 0.00 -0.69 0.00 0.00 174.62 175.43 1gqj n TYR 697 N 5.37 2.13 -3.43 4.92 9.36 -1.26 -4.95 117.16 129.30 1gqj n TYR 697 Ca 0.10 0.42 -0.43 0.00 3.32 0.00 0.00 57.90 61.32 1gqj n TYR 697 Cb 0.47 -2.46 -0.10 0.00 -0.63 0.00 0.00 39.34 36.62 1gqj n TYR 697 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1gqj s VAL 698 N 0.09 5.22 -1.32 2.97 1.01 -1.26 -5.02 120.40 122.09 1gqj s VAL 698 Ca 0.70 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1gqj s VAL 698 Cb -0.67 -3.95 0.13 0.00 0.00 0.00 0.00 36.38 31.89 1gqj s VAL 698 CO 0.48 -0.33 1.89 -0.81 0.00 0.00 0.00 175.10 176.33 1gqj n PRO 699 N 5.25 3.34 -3.68 2.72 -0.04 -1.26 -4.32 135.00 137.02 1gqj n PRO 699 Ca -0.10 -3.31 -0.09 0.00 -0.04 0.00 0.00 63.50 59.96 1gqj n PRO 699 Cb 0.47 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.74 1gqj n PRO 699 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1gqj s GLU 700 N 1.64 0.39 0.22 0.54 2.12 -1.26 -4.77 118.70 117.59 1gqj s GLU 700 Ca 0.43 0.93 -0.07 0.00 0.36 0.00 0.00 54.97 56.62 1gqj s GLU 700 Cb 0.08 0.14 0.30 0.00 0.26 0.00 0.00 34.13 34.92 1gqj s GLU 700 CO -0.01 -0.19 1.81 -1.35 -0.54 0.00 0.00 175.26 174.97 1gqj h PRO 701 N 7.53 0.69 0.56 4.30 0.11 -1.88 -3.34 132.00 139.97 1gqj h PRO 701 Ca -0.28 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1gqj h PRO 701 Cb 1.16 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.12 1gqj h PRO 701 CO 0.21 0.46 -0.27 2.35 -0.21 0.00 0.00 178.00 180.55 1gqj h TRP 702 N 0.71 -0.69 -3.31 0.65 7.01 -1.86 -3.44 115.95 115.02 1gqj h TRP 702 Ca 0.34 -0.02 -0.53 0.00 2.11 0.00 0.00 58.89 60.80 1gqj h TRP 702 Cb 0.26 0.23 0.04 0.00 -2.10 0.00 0.00 29.16 27.60 1gqj h TRP 702 CO -0.08 -0.37 0.72 -1.58 -2.79 0.00 0.00 178.44 174.34 1gqj s HIS 703 N -5.25 3.14 0.52 2.65 2.46 -1.25 -4.90 115.29 112.65 1gqj s HIS 703 Ca -0.16 1.07 0.31 0.00 0.47 0.00 0.00 55.06 56.76 1gqj s HIS 703 Cb 0.02 -3.73 1.44 0.00 -0.13 0.00 0.00 32.58 30.19 1gqj s HIS 703 CO 0.54 -2.38 1.84 -1.35 -2.47 0.00 0.00 174.74 170.92 1gqj h PRO 704 N 5.45 0.07 -0.97 2.88 0.11 -1.91 -2.14 132.00 135.49 1gqj h PRO 704 Ca -0.45 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.90 1gqj h PRO 704 Cb 1.21 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 1gqj h PRO 704 CO 0.79 0.05 0.64 0.00 -0.21 0.00 0.00 178.00 179.27 1gqj h ALA 705 N 1.51 2.30 0.00 -0.75 0.00 -1.93 -1.02 119.26 119.37 1gqj h ALA 705 Ca 0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1gqj h ALA 705 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1gqj h ALA 705 CO -0.05 -0.64 0.00 0.66 0.00 0.00 0.00 179.25 179.22 1gqj h SER 706 N 0.36 0.00 -0.07 0.00 4.64 -1.57 -1.60 113.55 115.31 1gqj h SER 706 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1gqj h SER 706 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1gqj h SER 706 CO -0.20 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.56 1gqj n SER 707 N -2.93 2.61 -4.68 4.97 7.64 -0.39 -4.86 113.62 115.98 1gqj n SER 707 Ca -0.02 -1.86 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 1gqj n SER 707 Cb 0.14 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1gqj n SER 707 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1gqj s SER 708 N -1.93 6.59 -0.08 6.43 0.15 -0.60 -4.90 113.70 119.36 1gqj s SER 708 Ca 0.32 2.46 0.17 0.00 0.70 0.00 0.00 55.95 59.59 1gqj s SER 708 Cb 0.20 -2.55 0.63 0.00 -1.71 0.00 0.00 66.02 62.60 1gqj s SER 708 CO 0.31 -0.92 1.53 0.54 1.20 0.00 0.00 173.24 175.90 1gqj n ARG 709 N 6.22 3.27 -1.70 5.44 1.74 -1.26 -4.95 116.66 125.42 1gqj n ARG 709 Ca 0.17 -2.52 -0.43 0.00 -0.77 0.00 0.00 57.85 54.30 1gqj n ARG 709 Cb 0.41 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1gqj n ARG 709 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1gqj n VAL 710 N 1.07 0.11 -0.07 1.55 0.31 -1.26 -4.89 118.33 115.14 1gqj n VAL 710 Ca 0.23 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1gqj n VAL 710 Cb 0.76 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1gqj n VAL 710 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1gqj n LEU 711 N 4.38 1.19 0.00 7.52 4.77 -1.26 -4.59 117.00 129.01 1gqj n LEU 711 Ca 0.17 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1gqj n LEU 711 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1gqj n LEU 711 CO 0.65 0.30 0.04 0.29 -1.33 0.00 0.00 177.39 177.34