#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrx s PHE 4 N 0.00 2.44 -0.21 1.20 5.36 -1.26 -5.09 117.98 120.42 2qrx s PHE 4 Ca 0.00 -0.62 -0.09 0.00 -0.96 0.00 0.00 56.93 55.26 2qrx s PHE 4 Cb 0.00 -1.59 -0.04 0.00 -0.34 0.00 0.00 43.02 41.05 2qrx s PHE 4 CO 0.00 -0.15 0.10 0.08 -1.46 0.00 0.00 175.22 173.79 2qrx s VAL 5 N -0.29 4.96 -0.50 3.12 1.01 -1.26 -5.07 120.40 122.37 2qrx s VAL 5 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2qrx s VAL 5 Cb -0.13 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2qrx s VAL 5 CO 0.02 0.40 0.73 0.21 0.00 0.00 0.00 175.10 176.46 2qrx s ASN 6 N 0.77 6.29 0.00 3.32 3.84 -1.26 -4.93 114.94 122.97 2qrx s ASN 6 Ca 0.05 -0.57 0.00 0.00 0.21 0.00 0.00 52.86 52.55 2qrx s ASN 6 Cb -0.13 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 2qrx s ASN 6 CO 0.02 -0.96 0.58 0.18 -2.79 0.00 0.00 177.10 174.14 2qrx n LEU 7 N 6.58 1.64 -0.13 3.21 4.77 -1.26 -2.13 117.00 129.68 2qrx n LEU 7 Ca -0.03 -0.82 -0.22 0.00 -0.03 0.00 0.00 56.01 54.92 2qrx n LEU 7 Cb 0.47 -0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 2qrx n LEU 7 CO 0.57 0.29 -1.35 0.47 -1.33 0.00 0.00 177.39 176.04 2qrx n ASP 8 N 0.49 1.98 -0.33 -1.43 8.00 -1.26 -3.23 116.55 120.77 2qrx n ASP 8 Ca 0.00 0.03 0.19 0.00 0.71 0.00 0.00 54.79 55.73 2qrx n ASP 8 Cb 0.29 -0.57 0.41 0.00 -0.02 0.00 0.00 41.12 41.23 2qrx n ASP 8 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2qrx h ILE 9 N -0.33 0.42 -0.07 0.53 2.10 -1.86 0.27 117.51 118.57 2qrx h ILE 9 Ca -0.61 -0.15 -0.09 0.00 1.08 0.00 0.00 64.86 65.08 2qrx h ILE 9 Cb 1.81 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 2qrx h ILE 9 CO -0.19 0.08 -0.33 -0.26 -1.08 0.00 0.00 178.15 176.37 2qrx h PHE 10 N 0.44 0.46 -0.43 2.19 0.04 -1.73 -3.15 116.94 114.75 2qrx h PHE 10 Ca 0.67 -0.20 -0.09 0.00 2.80 0.00 0.00 57.97 61.14 2qrx h PHE 10 Cb 1.38 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.44 2qrx h PHE 10 CO -0.04 0.94 -0.12 0.66 -0.60 0.00 0.00 178.31 179.16 2qrx h SER 11 N -0.16 0.77 0.72 2.17 4.64 -1.22 -1.41 113.55 119.06 2qrx h SER 11 Ca -0.02 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2qrx h SER 11 Cb 0.98 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2qrx h SER 11 CO 0.07 0.91 0.00 -1.13 -0.87 0.00 0.00 176.83 175.81 2qrx h ASN 12 N 0.70 0.00 0.75 4.97 -0.00 -0.61 -2.19 115.58 119.20 2qrx h ASN 12 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 56.28 2qrx h ASN 12 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.89 2qrx h ASN 12 CO 0.04 0.00 -1.35 -1.22 -0.00 0.00 0.00 177.43 174.90 2qrx n TYR 13 N -2.79 0.99 0.29 0.67 4.01 -0.59 -3.43 117.16 116.31 2qrx n TYR 13 Ca 0.00 0.32 0.10 0.00 -0.16 0.00 0.00 57.90 58.17 2qrx n TYR 13 Cb 0.23 -1.07 0.48 0.00 -0.31 0.00 0.00 39.34 38.67 2qrx n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qrx n GLN 14 N -2.86 0.15 -0.04 -0.72 10.64 -0.83 -1.13 117.38 122.59 2qrx n GLN 14 Ca -0.08 0.49 -0.15 0.00 -1.83 0.00 0.00 57.00 55.44 2qrx n GLN 14 Cb 0.79 -1.85 -0.12 0.00 -0.86 0.00 0.00 30.24 28.20 2qrx n GLN 14 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2qrx h LYS 15 N 0.00 0.08 0.32 2.61 3.64 -1.56 -2.66 116.57 119.00 2qrx h LYS 15 Ca 0.00 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2qrx h LYS 15 Cb 0.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2qrx h LYS 15 CO 0.00 0.92 -0.15 -0.92 -2.27 0.00 0.00 179.45 177.02 2qrx h TYR 16 N -0.71 -0.40 -0.81 1.91 3.20 -1.60 -2.93 116.97 115.64 2qrx h TYR 16 Ca -0.02 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.95 2qrx h TYR 16 Cb 0.98 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 39.30 2qrx h TYR 16 CO 0.21 -0.21 0.43 0.82 -1.64 0.00 0.00 178.16 177.77 2qrx h ILE 17 N -0.49 0.83 -0.52 1.81 2.04 -1.27 0.05 117.51 119.95 2qrx h ILE 17 Ca -0.04 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.66 2qrx h ILE 17 Cb 0.37 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 2qrx h ILE 17 CO 0.07 0.12 0.17 -0.78 0.00 0.00 0.00 178.15 177.74 2qrx h ASP 18 N 0.68 0.16 -0.16 1.72 3.58 -1.36 -0.13 116.42 120.91 2qrx h ASP 18 Ca 0.41 0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.78 2qrx h ASP 18 Cb 0.47 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2qrx h ASP 18 CO -0.29 0.11 -0.49 -1.13 -2.88 0.00 0.00 179.24 174.56 2qrx h ASN 19 N 0.34 0.71 -0.43 2.28 -1.24 -1.24 -3.10 115.58 112.90 2qrx h ASN 19 Ca 0.26 -0.59 0.02 0.00 0.71 0.00 0.00 56.30 56.69 2qrx h ASN 19 Cb 0.30 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 2qrx h ASN 19 CO -0.27 1.18 0.26 -0.08 -1.29 0.00 0.00 177.43 177.22 2qrx h GLU 20 N 0.28 0.50 -1.02 6.67 4.57 -0.60 0.15 114.58 125.14 2qrx h GLU 20 Ca -0.01 -0.03 0.25 0.00 -1.18 0.00 0.00 59.36 58.38 2qrx h GLU 20 Cb 1.11 -0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 29.48 2qrx h GLU 20 CO 0.10 0.33 0.63 1.96 -1.18 0.00 0.00 179.01 180.86 2qrx h GLN 21 N 0.52 0.50 0.05 1.92 1.08 -1.06 -0.72 115.11 117.40 2qrx h GLN 21 Ca 0.17 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.27 2qrx h GLN 21 Cb 0.01 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2qrx h GLN 21 CO -0.08 0.33 -0.33 1.49 -0.95 0.00 0.00 178.83 179.30 2qrx h GLU 22 N 0.51 0.11 -0.09 1.46 4.81 -1.12 -2.30 114.58 117.96 2qrx h GLU 22 Ca 0.61 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.69 2qrx h GLU 22 Cb 1.32 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.71 2qrx h GLU 22 CO -0.38 1.09 -0.39 0.28 -0.73 0.00 0.00 179.01 178.88 2qrx h VAL 23 N -0.76 0.19 0.00 0.32 2.07 -0.55 0.20 116.25 117.72 2qrx h VAL 23 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qrx h VAL 23 Cb 1.25 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2qrx h VAL 23 CO 0.05 0.00 0.07 -1.14 0.02 0.00 0.00 177.57 176.57 2qrx n ARG 24 N -5.43 0.04 -0.04 1.57 0.63 -0.29 -2.62 116.66 110.52 2qrx n ARG 24 Ca -0.04 0.50 -0.21 0.00 -0.92 0.00 0.00 57.85 57.17 2qrx n ARG 24 Cb 0.35 -1.71 -0.13 0.00 0.45 0.00 0.00 32.46 31.42 2qrx n ARG 24 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2qrx n GLU 25 N -1.70 0.70 0.20 -0.14 4.07 0.64 -2.92 120.64 121.50 2qrx n GLU 25 Ca -0.00 0.30 0.06 0.00 -0.06 0.00 0.00 57.16 57.46 2qrx n GLU 25 Cb 0.08 -1.68 0.40 0.00 -0.06 0.00 0.00 31.44 30.18 2qrx n GLU 25 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2qrx h ASN 26 N -0.17 0.00 0.53 4.31 2.35 -1.28 0.66 115.58 121.98 2qrx h ASN 26 Ca -0.45 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2qrx h ASN 26 Cb 1.87 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.25 2qrx h ASN 26 CO -0.01 0.34 -0.25 0.40 -1.65 0.00 0.00 177.43 176.25 2qrx h ILE 27 N 0.00 0.00 -0.92 2.81 1.08 -1.66 -2.70 117.51 116.12 2qrx h ILE 27 Ca -0.00 -0.36 0.23 0.00 -0.39 0.00 0.00 64.86 64.34 2qrx h ILE 27 Cb 0.77 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.35 2qrx h ILE 27 CO 0.04 0.00 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.41 2qrx h ARG 28 N -1.06 0.04 -0.18 2.37 1.12 -1.39 -1.38 114.38 113.90 2qrx h ARG 28 Ca -0.07 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 2qrx h ARG 28 Cb 0.54 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 2qrx h ARG 28 CO 0.12 0.03 0.11 0.97 -3.11 0.00 0.00 179.97 178.09 2qrx h ILE 29 N 0.04 1.03 0.47 1.20 2.10 -0.90 -2.12 117.51 119.35 2qrx h ILE 29 Ca 0.53 -0.08 -0.02 0.00 1.08 0.00 0.00 64.86 66.37 2qrx h ILE 29 Cb 1.02 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 2qrx h ILE 29 CO -0.85 0.04 -0.23 0.58 -1.08 0.00 0.00 178.15 176.61 2qrx h VAL 30 N 0.23 0.45 0.00 2.19 2.07 -0.93 -1.82 116.25 118.44 2qrx h VAL 30 Ca 0.07 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qrx h VAL 30 Cb -0.02 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2qrx h VAL 30 CO -0.02 0.06 0.45 0.58 0.02 0.00 0.00 177.57 178.66 2qrx h VAL 31 N -0.89 0.00 -0.01 2.57 2.07 -1.48 0.22 116.25 118.74 2qrx h VAL 31 Ca -0.07 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.21 2qrx h VAL 31 Cb 0.58 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2qrx h VAL 31 CO 0.11 0.00 -0.99 -0.09 0.02 0.00 0.00 177.57 176.62 2qrx h ARG 32 N 0.00 0.60 -0.06 1.57 9.65 -0.61 -2.25 114.38 123.29 2qrx h ARG 32 Ca 0.00 -0.64 -0.04 0.00 -1.10 0.00 0.00 59.98 58.20 2qrx h ARG 32 Cb 0.90 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2qrx h ARG 32 CO 0.00 1.24 -0.12 0.93 2.80 0.00 0.00 179.97 184.82 2qrx h GLU 33 N 0.34 0.18 -0.55 0.20 5.08 -0.51 -2.81 114.58 116.51 2qrx h GLU 33 Ca -0.11 -0.12 0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2qrx h GLU 33 Cb 1.64 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 2qrx h GLU 33 CO 0.19 0.71 0.40 0.82 -1.00 0.00 0.00 179.01 180.13 2qrx h ILE 34 N -0.32 0.73 0.77 3.13 2.04 -1.45 0.47 117.51 122.87 2qrx h ILE 34 Ca 0.00 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2qrx h ILE 34 Cb 0.71 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2qrx h ILE 34 CO 0.03 0.00 -0.37 -0.08 0.00 0.00 0.00 178.15 177.73 2qrx h GLU 35 N 0.02 -0.99 -0.58 2.37 4.57 -1.39 -2.78 114.58 115.79 2qrx h GLU 35 Ca 0.26 0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.58 2qrx h GLU 35 Cb 1.03 0.23 -0.10 0.00 -0.16 0.00 0.00 28.75 29.75 2qrx h GLU 35 CO -0.01 -0.66 -0.51 1.25 -1.18 0.00 0.00 179.01 177.90 2qrx h HIS 36 N -1.04 -1.55 0.00 0.92 2.76 0.07 0.19 115.15 116.50 2qrx h HIS 36 Ca -0.11 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2qrx h HIS 36 Cb 0.79 0.76 0.00 0.00 1.55 0.00 0.00 27.41 30.51 2qrx h HIS 36 CO 0.06 -0.45 0.00 1.28 -1.30 0.00 0.00 177.93 177.52 2qrx n LEU 37 N -5.37 0.00 -0.30 0.26 4.77 0.29 -2.75 117.00 113.90 2qrx n LEU 37 Ca -0.00 0.86 0.25 0.00 -0.03 0.00 0.00 56.01 57.09 2qrx n LEU 37 Cb 0.33 -0.36 0.47 0.00 -2.33 0.00 0.00 43.42 41.54 2qrx n LEU 37 CO -0.03 -0.36 0.90 -0.24 -1.33 0.00 0.00 177.39 176.34 2qrx n SER 38 N -1.84 0.22 0.10 -1.43 2.88 -1.05 -0.11 113.62 112.39 2qrx n SER 38 Ca 0.00 1.51 0.05 0.00 -1.33 0.00 0.00 58.87 59.10 2qrx n SER 38 Cb 0.00 -0.69 0.49 0.00 -0.75 0.00 0.00 64.21 63.26 2qrx n SER 38 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2qrx h LYS 39 N 0.00 0.33 0.19 -1.46 1.63 -0.43 -1.70 116.57 115.12 2qrx h LYS 39 Ca 0.72 -0.03 -0.32 0.00 -0.85 0.00 0.00 60.65 60.17 2qrx h LYS 39 Cb 1.83 -0.07 0.02 0.00 -0.60 0.00 0.00 32.23 33.40 2qrx h LYS 39 CO -0.73 0.24 -1.48 1.49 -3.45 0.00 0.00 179.45 175.52 2qrx h GLU 40 N 0.33 0.41 -0.73 1.90 4.81 -0.42 -0.53 114.58 120.35 2qrx h GLU 40 Ca 0.09 -0.70 0.15 0.00 -0.13 0.00 0.00 59.36 58.77 2qrx h GLU 40 Cb 0.01 0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 2qrx h GLU 40 CO -0.02 1.32 0.49 0.00 -0.73 0.00 0.00 179.01 180.08 2qrx h ALA 41 N 0.30 2.16 0.22 2.92 0.00 -1.31 -1.25 119.26 122.31 2qrx h ALA 41 Ca -0.24 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.34 2qrx h ALA 41 Cb 2.09 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.86 2qrx h ALA 41 CO 0.23 -0.36 -1.49 0.37 0.00 0.00 0.00 179.25 177.99 2qrx h GLN 42 N 0.36 0.47 0.00 0.00 4.15 -1.19 -2.00 115.11 116.90 2qrx h GLN 42 Ca 0.36 -0.80 -0.05 0.00 0.77 0.00 0.00 58.65 58.92 2qrx h GLN 42 Cb 0.87 0.30 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2qrx h GLN 42 CO -0.10 1.38 -0.26 0.97 -1.93 0.00 0.00 178.83 178.89 2qrx h ILE 43 N 0.13 1.16 0.00 2.39 2.10 -0.75 -3.20 117.51 119.33 2qrx h ILE 43 Ca -0.25 -0.89 -0.00 0.00 1.08 0.00 0.00 64.86 64.79 2qrx h ILE 43 Cb 2.13 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 39.34 2qrx h ILE 43 CO 0.25 0.25 -0.03 0.50 -1.08 0.00 0.00 178.15 178.04 2qrx h LYS 44 N 0.00 0.00 0.00 2.19 1.63 -1.07 -3.13 116.57 116.19 2qrx h LYS 44 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2qrx h LYS 44 Cb 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2qrx h LYS 44 CO 0.03 0.90 0.00 1.28 -3.45 0.00 0.00 179.45 178.22 2qrx n LEU 45 N -4.62 0.00 -0.08 5.20 4.77 -0.77 -1.64 117.00 119.87 2qrx n LEU 45 Ca -0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 2qrx n LEU 45 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2qrx n LEU 45 CO 0.30 0.00 0.78 -0.61 -1.33 0.00 0.00 177.39 176.54 2qrx h GLN 46 N 0.00 0.39 -1.37 3.23 5.75 -1.54 -3.30 115.11 118.28 2qrx h GLN 46 Ca 0.00 -0.11 0.43 0.00 -0.15 0.00 0.00 58.65 58.81 2qrx h GLN 46 Cb 0.00 -0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.40 2qrx h GLN 46 CO 0.00 0.55 0.91 0.97 -2.65 0.00 0.00 178.83 178.61 2qrx h ILE 47 N 0.18 0.17 0.00 2.39 6.09 -1.54 -2.60 117.51 122.21 2qrx h ILE 47 Ca 0.07 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 2qrx h ILE 47 Cb 0.36 0.06 0.00 0.00 0.47 0.00 0.00 36.82 37.71 2qrx h ILE 47 CO 0.01 0.02 0.38 0.16 -3.07 0.00 0.00 178.15 175.65 2qrx h ILE 48 N 0.10 0.00 0.08 2.19 3.07 -1.81 0.16 117.51 121.30 2qrx h ILE 48 Ca 0.79 0.00 -0.29 0.00 1.55 0.00 0.00 64.86 66.91 2qrx h ILE 48 Cb 2.60 0.38 -0.02 0.00 -0.27 0.00 0.00 36.82 39.50 2qrx h ILE 48 CO -0.32 0.00 -1.52 0.45 -1.05 0.00 0.00 178.15 175.71 2qrx h HIS 49 N 0.00 0.31 0.00 0.16 3.86 -1.76 -3.38 115.15 114.35 2qrx h HIS 49 Ca 0.00 -0.23 -0.20 0.00 -1.16 0.00 0.00 60.37 58.78 2qrx h HIS 49 Cb 0.77 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 2qrx h HIS 49 CO 0.00 1.29 -2.00 -1.13 0.86 0.00 0.00 177.93 176.94 2qrx n SER 50 N -3.37 0.23 -3.27 2.45 3.41 0.35 -4.77 113.62 108.66 2qrx n SER 50 Ca -0.15 0.10 -0.17 0.00 -0.26 0.00 0.00 58.87 58.39 2qrx n SER 50 Cb 1.03 1.09 -0.07 0.00 -0.26 0.00 0.00 64.21 66.00 2qrx n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qrx s ASP 51 N -5.26 0.73 0.34 4.04 -1.08 0.07 -5.03 116.67 110.48 2qrx s ASP 51 Ca -0.07 -1.95 0.14 0.00 -0.52 0.00 0.00 52.55 50.14 2qrx s ASP 51 Cb 0.09 0.58 1.06 0.00 -1.46 0.00 0.00 42.92 43.19 2qrx s ASP 51 CO 0.85 -0.20 1.68 -0.07 0.52 0.00 0.00 175.17 177.95 2qrx h LEU 52 N 6.37 0.54 -0.90 -1.34 3.38 -1.80 -2.13 115.31 119.43 2qrx h LEU 52 Ca 0.11 0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.46 2qrx h LEU 52 Cb 1.03 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 2qrx h LEU 52 CO 0.20 -0.08 0.41 0.77 0.09 0.00 0.00 178.44 179.84 2qrx h SER 53 N 0.37 0.38 0.76 -0.43 4.64 -1.96 -2.75 113.55 114.56 2qrx h SER 53 Ca 0.71 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 62.16 2qrx h SER 53 Cb 1.60 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.80 2qrx h SER 53 CO -0.56 0.04 -0.10 1.56 -0.87 0.00 0.00 176.83 176.89 2qrx h GLN 54 N 0.44 0.00 -0.55 4.77 1.08 -1.77 -3.33 115.11 115.76 2qrx h GLN 54 Ca 0.55 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.80 2qrx h GLN 54 Cb 1.01 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.38 2qrx h GLN 54 CO -0.50 0.10 -0.32 -0.89 -0.95 0.00 0.00 178.83 176.27 2qrx n ILE 55 N -3.31 -0.37 -0.22 2.54 5.41 -1.04 -1.39 119.36 120.97 2qrx n ILE 55 Ca -0.00 1.39 0.02 0.00 1.00 0.00 0.00 62.75 65.16 2qrx n ILE 55 Cb 0.31 -1.73 0.10 0.00 -0.71 0.00 0.00 39.64 37.62 2qrx n ILE 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2qrx h SER 56 N 0.00 -0.40 -0.25 4.38 0.02 -1.83 0.19 113.55 115.66 2qrx h SER 56 Ca 0.09 0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 61.07 2qrx h SER 56 Cb 0.22 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2qrx h SER 56 CO -0.52 -0.17 -0.40 0.00 -1.14 0.00 0.00 176.83 174.61 2qrx h ALA 57 N 1.63 0.38 -0.40 3.77 0.00 -1.52 -1.76 119.26 121.36 2qrx h ALA 57 Ca 0.34 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2qrx h ALA 57 Cb 0.56 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2qrx h ALA 57 CO -0.61 0.48 0.17 0.00 0.00 0.00 0.00 179.25 179.30 2qrx h ALA 58 N 0.65 0.49 -0.61 0.00 0.00 -0.06 -0.45 119.26 119.28 2qrx h ALA 58 Ca 0.02 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2qrx h ALA 58 Cb 1.00 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2qrx h ALA 58 CO 0.09 -0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.37 2qrx h GLY 60 N 0.41 1.22 0.54 0.00 0.00 -0.21 -1.10 103.07 103.93 2qrx h GLY 60 Ca 0.31 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2qrx h GLY 60 CO -0.31 0.25 -0.20 -2.00 0.00 0.00 0.00 176.54 174.28 2qrx h LEU 61 N 0.92 -0.48 -0.91 3.11 6.46 -0.72 -2.46 115.31 121.24 2qrx h LEU 61 Ca 0.35 -0.09 0.13 0.00 -0.12 0.00 0.00 57.88 58.16 2qrx h LEU 61 Cb 0.15 0.12 -0.14 0.00 -0.73 0.00 0.00 40.66 40.06 2qrx h LEU 61 CO -0.17 -0.05 -0.37 0.00 -0.62 0.00 0.00 178.44 177.23 2qrx n ALA 62 N -2.64 -0.16 0.31 1.25 0.00 -0.57 0.05 120.51 118.76 2qrx n ALA 62 Ca -0.09 0.89 0.19 0.00 0.00 0.00 0.00 53.44 54.43 2qrx n ALA 62 Cb 0.28 -0.38 1.02 0.00 0.00 0.00 0.00 19.45 20.37 2qrx n ALA 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qrx h ARG 63 N 0.00 0.00 0.15 0.00 2.43 -1.09 0.14 114.38 116.02 2qrx h ARG 63 Ca 0.30 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 2qrx h ARG 63 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2qrx h ARG 63 CO -0.90 0.02 -0.07 -0.22 -1.51 0.00 0.00 179.97 177.29 2qrx h LYS 64 N 0.00 -0.20 -0.52 0.20 3.64 0.10 -3.31 116.57 116.48 2qrx h LYS 64 Ca -0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2qrx h LYS 64 Cb 0.13 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.89 2qrx h LYS 64 CO 0.00 0.11 -0.28 1.96 -2.27 0.00 0.00 179.45 178.98 2qrx h GLN 65 N -0.99 -0.15 -1.26 1.90 1.08 -0.88 -0.74 115.11 114.08 2qrx h GLN 65 Ca -0.02 0.01 0.37 0.00 -1.45 0.00 0.00 58.65 57.56 2qrx h GLN 65 Cb 0.40 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.78 2qrx h GLN 65 CO 0.03 -0.10 0.86 0.28 -0.95 0.00 0.00 178.83 178.95 2qrx h VAL 66 N -0.15 0.33 0.00 -0.54 2.07 -0.84 0.24 116.25 117.35 2qrx h VAL 66 Ca 0.23 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2qrx h VAL 66 Cb 0.52 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qrx h VAL 66 CO -0.61 0.03 -0.77 -1.84 0.02 0.00 0.00 177.57 174.40 2qrx n GLU 67 N -4.43 2.29 0.08 1.57 0.28 -0.71 -2.99 120.64 116.73 2qrx n GLU 67 Ca 0.31 -0.02 0.09 0.00 -0.16 0.00 0.00 57.16 57.38 2qrx n GLU 67 Cb 1.26 -1.16 0.41 0.00 1.43 0.00 0.00 31.44 33.38 2qrx n GLU 67 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2qrx n LEU 68 N -1.41 0.39 -1.13 -1.84 7.94 0.69 -3.20 117.00 118.44 2qrx n LEU 68 Ca 0.02 0.60 0.04 0.00 -1.11 0.00 0.00 56.01 55.56 2qrx n LEU 68 Cb 0.23 -0.56 0.06 0.00 0.53 0.00 0.00 43.42 43.68 2qrx n LEU 68 CO 0.27 -0.47 0.17 0.00 -1.11 0.00 0.00 177.39 176.25 2qrx n ALA 70 N 0.01 4.14 0.06 0.00 0.00 -1.16 -3.82 120.51 119.73 2qrx n ALA 70 Ca 0.08 -0.61 -0.21 0.00 0.00 0.00 0.00 53.44 52.71 2qrx n ALA 70 Cb 0.98 -0.76 -0.15 0.00 0.00 0.00 0.00 19.45 19.52 2qrx n ALA 70 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qrx h GLN 71 N 1.17 0.32 -0.22 0.00 4.20 -1.75 -3.37 115.11 115.46 2qrx h GLN 71 Ca 0.00 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 2qrx h GLN 71 Cb 0.61 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2qrx h GLN 71 CO 0.00 1.26 0.11 0.87 -0.67 0.00 0.00 178.83 180.40 2qrx h LYS 72 N -0.31 0.32 -1.03 1.46 1.79 -1.77 -0.24 116.57 116.78 2qrx h LYS 72 Ca -0.17 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2qrx h LYS 72 Cb 1.71 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 2qrx h LYS 72 CO 0.15 0.31 0.00 0.66 -1.08 0.00 0.00 179.45 179.50 2qrx n TYR 73 N -4.86 0.00 0.00 -1.35 4.02 -1.25 -0.98 117.16 112.74 2qrx n TYR 73 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2qrx n TYR 73 Cb 0.09 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2qrx n TYR 73 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2qrx n GLN 74 N 0.65 0.52 0.24 -0.72 1.13 -0.11 -3.76 117.38 115.32 2qrx n GLN 74 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 2qrx n GLN 74 Cb 0.00 -0.57 -0.05 0.00 0.11 0.00 0.00 30.24 29.73 2qrx n GLN 74 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2qrx h LYS 75 N 0.00 -0.62 -0.95 -1.09 1.57 -0.99 -3.08 116.57 111.41 2qrx h LYS 75 Ca 0.00 0.04 0.31 0.00 -1.87 0.00 0.00 60.65 59.13 2qrx h LYS 75 Cb 0.14 0.14 -0.17 0.00 0.08 0.00 0.00 32.23 32.42 2qrx h LYS 75 CO 0.00 -0.42 0.20 -0.11 -0.57 0.00 0.00 179.45 178.55 2qrx n LEU 76 N -4.73 0.05 -0.08 2.94 7.94 -0.67 -0.68 117.00 121.76 2qrx n LEU 76 Ca -0.08 1.60 -0.07 0.00 -1.11 0.00 0.00 56.01 56.35 2qrx n LEU 76 Cb 0.26 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.55 2qrx n LEU 76 CO 0.19 -1.68 0.87 0.00 -1.11 0.00 0.00 177.39 175.66 2qrx h ALA 77 N 1.90 0.29 0.00 1.96 0.00 -1.64 -2.16 119.26 119.61 2qrx h ALA 77 Ca 0.66 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.64 2qrx h ALA 77 Cb 1.53 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2qrx h ALA 77 CO -0.83 -0.39 -0.34 1.05 0.00 0.00 0.00 179.25 178.74 2qrx h GLU 78 N 0.12 0.00 0.00 0.00 4.11 -0.82 -3.21 114.58 114.78 2qrx h GLU 78 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2qrx h GLU 78 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2qrx h GLU 78 CO -0.22 0.00 0.00 1.25 0.07 0.00 0.00 179.01 180.11 2qrx h LEU 79 N 0.00 0.00 -9.01 3.06 5.85 -0.56 -3.43 115.31 111.23 2qrx h LEU 79 Ca 0.00 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.09 2qrx h LEU 79 Cb 0.90 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.78 2qrx h LEU 79 CO 0.00 0.00 -0.46 -0.69 -0.34 0.00 0.00 178.44 176.95 2qrx s VAL 80 N -3.40 5.31 0.54 1.05 1.01 -1.16 -5.01 120.40 118.75 2qrx s VAL 80 Ca 0.04 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 2qrx s VAL 80 Cb 0.09 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 2qrx s VAL 80 CO 0.50 0.29 0.96 -2.16 0.00 0.00 0.00 175.10 174.69 2qrx s PRO 81 N 1.42 3.76 4.92 2.72 0.04 -1.26 -4.92 135.00 141.67 2qrx s PRO 81 Ca 0.09 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2qrx s PRO 81 Cb -0.15 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2qrx s PRO 81 CO 0.08 -0.36 0.00 0.00 0.04 0.00 0.00 177.00 176.76 2qrx n ALA 82 N -2.07 0.00 -3.10 8.56 0.00 -1.26 -1.45 120.51 121.19 2qrx n ALA 82 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 2qrx n ALA 82 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 2qrx n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qrx n GLY 83 N 0.00 5.32 0.56 0.00 0.00 -1.26 -4.87 105.19 104.94 2qrx n GLY 83 Ca 0.00 -2.76 0.07 0.00 0.00 0.00 0.00 46.02 43.32 2qrx n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qrx n GLN 84 N 0.11 1.38 -0.04 1.61 6.02 -0.53 -4.79 117.38 121.15 2qrx n GLN 84 Ca 0.31 -3.03 -0.11 0.00 -0.01 0.00 0.00 57.00 54.16 2qrx n GLN 84 Cb 0.40 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 2qrx n GLN 84 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2qrx h TYR 85 N 0.78 -1.13 0.00 1.08 3.20 -1.90 -2.31 116.97 116.70 2qrx h TYR 85 Ca -0.02 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2qrx h TYR 85 Cb 1.07 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 39.87 2qrx h TYR 85 CO 0.56 -0.45 -0.05 1.88 -1.64 0.00 0.00 178.16 178.46 2qrx h TYR 86 N -0.41 0.00 -0.71 -3.82 0.05 -1.98 0.32 116.97 110.41 2qrx h TYR 86 Ca 0.10 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.93 2qrx h TYR 86 Cb 0.59 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.28 2qrx h TYR 86 CO -0.51 0.05 0.42 -0.09 -1.05 0.00 0.00 178.16 176.98 2qrx h ARG 87 N 0.00 0.77 0.00 4.88 2.43 -1.78 -3.32 114.38 117.37 2qrx h ARG 87 Ca -0.00 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2qrx h ARG 87 Cb 0.47 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2qrx h ARG 87 CO 0.01 0.51 -1.74 0.66 -1.51 0.00 0.00 179.97 177.90 2qrx n TYR 88 N -4.71 0.00 0.12 2.20 4.01 -0.28 -4.65 117.16 113.86 2qrx n TYR 88 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2qrx n TYR 88 Cb 0.14 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 2qrx n TYR 88 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qrx n SER 89 N -2.21 0.00 0.27 7.72 3.41 0.96 0.36 113.62 124.13 2qrx n SER 89 Ca -0.11 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.82 2qrx n SER 89 Cb 0.62 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.32 2qrx n SER 89 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qrx h ASP 90 N 0.00 0.00 0.07 4.04 3.32 -1.82 -3.12 116.42 118.90 2qrx h ASP 90 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2qrx h ASP 90 Cb 0.92 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.50 2qrx h ASP 90 CO 0.00 0.11 -1.03 0.45 -1.72 0.00 0.00 179.24 177.04 2qrx h HIS 91 N 0.00 0.91 -1.90 4.55 3.86 -0.48 -3.35 115.15 118.74 2qrx h HIS 91 Ca -0.00 -0.54 -0.71 0.00 -1.16 0.00 0.00 60.37 57.95 2qrx h HIS 91 Cb 0.35 -0.08 -0.32 0.00 1.06 0.00 0.00 27.41 28.41 2qrx h HIS 91 CO 0.00 1.38 0.44 -2.67 0.86 0.00 0.00 177.93 177.94 2qrx n TRP 92 N -3.92 3.15 -0.07 2.45 2.14 -1.18 -4.60 117.44 115.41 2qrx n TRP 92 Ca -0.12 -2.67 -0.09 0.00 2.07 0.00 0.00 57.50 56.69 2qrx n TRP 92 Cb 0.89 -0.82 -0.07 0.00 -0.81 0.00 0.00 31.31 30.49 2qrx n TRP 92 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2qrx n THR 93 N -0.46 0.79 0.10 -1.67 -1.04 -1.21 -3.55 114.28 107.24 2qrx n THR 93 Ca 0.48 -0.35 -0.17 0.00 -2.04 0.00 0.00 64.05 61.96 2qrx n THR 93 Cb 0.37 -0.92 -0.12 0.00 -1.82 0.00 0.00 70.33 67.85 2qrx n THR 93 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2qrx h PHE 94 N 0.00 0.63 0.94 -1.42 0.05 -1.84 -0.60 116.94 114.70 2qrx h PHE 94 Ca -0.31 -0.42 -0.05 0.00 3.82 0.00 0.00 57.97 61.01 2qrx h PHE 94 Cb 1.54 -0.04 0.01 0.00 2.00 0.00 0.00 35.95 39.46 2qrx h PHE 94 CO 0.01 1.30 -0.45 0.82 -0.18 0.00 0.00 178.31 179.81 2qrx h ILE 95 N 0.14 0.06 -0.49 -0.55 1.08 -1.83 -1.42 117.51 114.49 2qrx h ILE 95 Ca -0.14 -0.03 0.09 0.00 -0.39 0.00 0.00 64.86 64.40 2qrx h ILE 95 Cb 1.89 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 2qrx h ILE 95 CO 0.21 0.00 0.34 0.74 -0.69 0.00 0.00 178.15 178.74 2qrx h THR 96 N -1.28 0.88 -0.04 -0.27 2.02 -1.60 -1.83 112.91 110.78 2qrx h THR 96 Ca -0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2qrx h THR 96 Cb 0.97 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2qrx h THR 96 CO 0.21 0.05 -0.01 1.56 0.37 0.00 0.00 175.52 177.70 2qrx h GLN 97 N 0.26 0.08 -0.56 6.66 4.20 -0.87 -2.26 115.11 122.62 2qrx h GLN 97 Ca 0.23 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.01 2qrx h GLN 97 Cb 0.56 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2qrx h GLN 97 CO -0.05 0.41 0.38 -0.09 -0.67 0.00 0.00 178.83 178.81 2qrx h ARG 98 N -0.25 0.34 0.06 1.46 2.43 -0.46 -0.97 114.38 116.98 2qrx h ARG 98 Ca 0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2qrx h ARG 98 Cb 0.38 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2qrx h ARG 98 CO 0.00 0.22 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.59 2qrx h LEU 99 N 0.35 -0.07 -0.24 3.80 3.38 -1.27 0.61 115.31 121.87 2qrx h LEU 99 Ca 0.26 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2qrx h LEU 99 Cb 0.56 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 2qrx h LEU 99 CO -0.06 0.30 -0.36 0.40 0.09 0.00 0.00 178.44 178.81 2qrx h ILE 100 N -0.44 0.22 -0.32 1.22 1.08 -1.01 0.54 117.51 118.80 2qrx h ILE 100 Ca -0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 2qrx h ILE 100 Cb 0.39 0.22 -0.08 0.00 -3.07 0.00 0.00 36.82 34.27 2qrx h ILE 100 CO 0.01 0.00 -0.27 0.15 -0.69 0.00 0.00 178.15 177.35 2qrx h PHE 101 N -0.37 -0.74 0.11 1.37 3.57 -1.17 0.24 116.94 119.95 2qrx h PHE 101 Ca 0.12 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2qrx h PHE 101 Cb 0.57 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2qrx h PHE 101 CO -0.49 -0.35 -0.12 0.82 -2.23 0.00 0.00 178.31 175.95 2qrx h ILE 102 N -0.24 0.00 -0.86 1.41 2.04 -0.28 -0.79 117.51 118.79 2qrx h ILE 102 Ca 0.16 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.15 2qrx h ILE 102 Cb 0.50 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.44 2qrx h ILE 102 CO -0.46 0.00 -0.35 -0.38 0.00 0.00 0.00 178.15 176.96 2qrx n ILE 103 N -3.03 -0.46 -0.30 -0.67 5.41 0.13 -0.85 119.36 119.58 2qrx n ILE 103 Ca -0.03 2.01 0.05 0.00 1.00 0.00 0.00 62.75 65.79 2qrx n ILE 103 Cb 0.11 -2.64 0.20 0.00 -0.71 0.00 0.00 39.64 36.59 2qrx n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qrx h ALA 104 N 1.12 1.25 0.76 -1.39 0.00 -0.12 -1.38 119.26 119.50 2qrx h ALA 104 Ca 0.29 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2qrx h ALA 104 Cb 0.50 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qrx h ALA 104 CO -0.85 0.03 -0.36 1.25 0.00 0.00 0.00 179.25 179.32 2qrx h LEU 105 N 0.74 -0.86 -0.00 0.00 5.85 0.50 -1.88 115.31 119.65 2qrx h LEU 105 Ca 0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2qrx h LEU 105 Cb 0.50 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2qrx h LEU 105 CO -0.30 -0.54 -0.00 0.52 -0.34 0.00 0.00 178.44 177.78 2qrx n VAL 106 N -5.48 -0.00 -0.24 1.05 0.31 -0.54 -0.53 118.33 112.90 2qrx n VAL 106 Ca -0.14 1.21 0.04 0.00 -0.01 0.00 0.00 64.34 65.44 2qrx n VAL 106 Cb 0.41 -1.61 0.16 0.00 -0.91 0.00 0.00 33.84 31.89 2qrx n VAL 106 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2qrx h ILE 107 N 0.00 0.52 0.06 2.52 1.08 -1.27 0.59 117.51 121.02 2qrx h ILE 107 Ca 0.00 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2qrx h ILE 107 Cb 0.00 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.00 2qrx h ILE 107 CO -0.00 0.04 -0.08 0.22 -0.69 0.00 0.00 178.15 177.64 2qrx h TYR 108 N 0.24 -0.22 0.01 1.37 3.20 -0.59 1.29 116.97 122.28 2qrx h TYR 108 Ca 0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2qrx h TYR 108 Cb 0.65 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 2qrx h TYR 108 CO -0.28 -0.13 -0.08 -0.07 -1.64 0.00 0.00 178.16 175.96 2qrx h LEU 109 N -0.18 -0.25 0.00 2.82 3.38 0.18 0.50 115.31 121.77 2qrx h LEU 109 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qrx h LEU 109 Cb 0.19 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qrx h LEU 109 CO -0.04 -0.08 0.00 -0.62 0.09 0.00 0.00 178.44 177.78 2qrx n GLU 110 N -2.93 0.00 -0.06 1.13 1.02 0.20 -4.00 120.64 115.99 2qrx n GLU 110 Ca -0.01 0.96 0.02 0.00 -0.02 0.00 0.00 57.16 58.11 2qrx n GLU 110 Cb 0.06 -1.47 0.06 0.00 -0.02 0.00 0.00 31.44 30.07 2qrx n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qrx n ALA 111 N -2.86 2.16 -2.75 0.62 0.00 0.44 -5.03 120.51 113.10 2qrx n ALA 111 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 53.44 52.33 2qrx n ALA 111 Cb 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 19.45 19.28 2qrx n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qrx n GLY 112 N 0.02 -0.16 3.74 0.00 0.00 0.18 -4.96 105.19 104.00 2qrx n GLY 112 Ca 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2qrx n GLY 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qrx s PHE 113 N -2.96 0.06 -0.08 1.61 -0.71 -1.26 -4.98 117.98 109.66 2qrx s PHE 113 Ca 0.20 -0.48 -0.23 0.00 -1.04 0.00 0.00 56.93 55.37 2qrx s PHE 113 Cb -0.09 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 2qrx s PHE 113 CO 0.24 -1.14 0.70 -1.17 -1.34 0.00 0.00 175.22 172.52 2qrx s LEU 114 N -2.97 4.30 0.90 -1.99 2.96 -1.26 -3.74 118.68 116.89 2qrx s LEU 114 Ca 0.16 1.17 -0.10 0.00 -0.22 0.00 0.00 54.13 55.14 2qrx s LEU 114 Cb -0.04 -3.08 0.14 0.00 0.50 0.00 0.00 46.19 43.71 2qrx s LEU 114 CO 0.08 -0.13 1.12 -0.69 -1.32 0.00 0.00 176.35 175.41 2qrx s VAL 115 N 0.89 2.36 -0.01 1.68 1.01 -1.26 -5.04 120.40 120.03 2qrx s VAL 115 Ca 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 2qrx s VAL 115 Cb -0.18 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2qrx s VAL 115 CO 0.17 -0.15 0.09 0.42 0.00 0.00 0.00 175.10 175.63 2qrx s THR 116 N -2.70 4.77 0.32 3.92 -4.23 -1.26 -4.98 115.64 111.47 2qrx s THR 116 Ca 0.65 -0.38 0.09 0.00 -1.18 0.00 0.00 61.69 60.88 2qrx s THR 116 Cb -0.21 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.76 2qrx s THR 116 CO 0.58 0.36 1.73 -0.09 -0.54 0.00 0.00 174.62 176.66 2qrx h ARG 117 N 4.13 0.56 -0.42 3.99 2.43 -2.00 -0.49 114.38 122.59 2qrx h ARG 117 Ca -0.49 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 2qrx h ARG 117 Cb 1.18 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2qrx h ARG 117 CO 0.62 0.37 0.15 0.93 -1.51 0.00 0.00 179.97 180.54 2qrx h GLU 118 N 0.58 0.60 0.26 0.20 3.07 -1.96 0.78 114.58 118.10 2qrx h GLU 118 Ca 0.64 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.40 2qrx h GLU 118 Cb 1.20 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2qrx h GLU 118 CO -0.48 0.51 -0.12 1.15 -1.40 0.00 0.00 179.01 178.67 2qrx h THR 119 N 0.60 0.70 -0.97 1.13 2.02 -1.51 -2.17 112.91 112.71 2qrx h THR 119 Ca 0.14 -0.83 0.16 0.00 0.77 0.00 0.00 66.41 66.66 2qrx h THR 119 Cb 0.14 1.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 2qrx h THR 119 CO -0.01 0.15 0.61 0.58 0.37 0.00 0.00 175.52 177.22 2qrx h VAL 120 N -0.84 0.79 0.31 3.16 2.07 -0.93 0.51 116.25 121.33 2qrx h VAL 120 Ca -0.04 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2qrx h VAL 120 Cb 0.51 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2qrx h VAL 120 CO 0.06 0.14 -0.37 0.00 0.02 0.00 0.00 177.57 177.42 2qrx h ALA 121 N 1.60 -1.01 -0.69 1.67 0.00 -0.90 0.17 119.26 120.11 2qrx h ALA 121 Ca 0.52 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.41 2qrx h ALA 121 Cb 0.78 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2qrx h ALA 121 CO -0.29 -1.04 0.46 0.93 0.00 0.00 0.00 179.25 179.30 2qrx h GLU 122 N -0.69 0.48 0.00 0.00 5.08 -0.15 0.34 114.58 119.65 2qrx h GLU 122 Ca -0.04 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2qrx h GLU 122 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2qrx h GLU 122 CO -0.08 0.32 -0.73 1.98 -1.00 0.00 0.00 179.01 179.50 2qrx h MET 123 N 0.49 0.00 0.00 2.33 4.05 0.44 -2.39 114.93 119.85 2qrx h MET 123 Ca 0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 2qrx h MET 123 Cb 0.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2qrx h MET 123 CO -0.10 0.73 -1.07 1.28 0.23 0.00 0.00 176.91 177.97 2qrx n LEU 124 N -3.51 0.75 -1.14 3.39 4.77 -0.00 -4.75 117.00 116.51 2qrx n LEU 124 Ca -0.00 -0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 55.67 2qrx n LEU 124 Cb 0.75 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2qrx n LEU 124 CO 0.43 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2qrx n GLY 125 N 1.45 0.45 3.18 -0.72 0.00 0.96 -4.50 105.19 106.00 2qrx n GLY 125 Ca 0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2qrx n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrx s LEU 126 N -2.26 2.16 0.43 0.99 1.43 0.24 -5.00 118.68 116.67 2qrx s LEU 126 Ca 0.00 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 2qrx s LEU 126 Cb -0.00 -0.73 -0.08 0.00 0.03 0.00 0.00 46.19 45.41 2qrx s LEU 126 CO 0.03 0.08 1.18 -0.54 0.23 0.00 0.00 176.35 177.33 2qrx s LYS 127 N -1.10 3.91 0.25 1.70 -0.14 -0.64 -4.25 119.74 119.48 2qrx s LYS 127 Ca 0.04 1.83 0.26 0.00 -1.36 0.00 0.00 55.97 56.73 2qrx s LYS 127 Cb -0.08 -2.55 0.78 0.00 -1.68 0.00 0.00 37.83 34.30 2qrx s LYS 127 CO 0.01 -0.44 1.75 -0.84 -0.76 0.00 0.00 175.35 175.07 2qrx h ILE 128 N 2.12 0.00 -2.49 2.17 3.07 -1.91 -1.90 117.51 118.57 2qrx h ILE 128 Ca -0.49 -0.52 -0.09 0.00 1.55 0.00 0.00 64.86 65.31 2qrx h ILE 128 Cb 1.24 1.49 -0.23 0.00 -0.27 0.00 0.00 36.82 39.05 2qrx h ILE 128 CO 0.61 0.00 -0.12 -0.94 -1.05 0.00 0.00 178.15 176.65 2qrx s SER 129 N -4.75 -0.55 0.00 2.16 1.04 -1.26 -4.81 113.70 105.54 2qrx s SER 129 Ca 0.09 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2qrx s SER 129 Cb 0.11 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.27 2qrx s SER 129 CO 0.58 -0.18 0.00 1.67 0.98 0.00 0.00 173.24 176.29 2qrx n GLN 130 N 2.97 0.00 -0.04 4.02 -0.06 -1.26 -2.51 117.38 120.49 2qrx n GLN 130 Ca -0.14 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.71 2qrx n GLN 130 Cb 0.56 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.62 2qrx n GLN 130 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 2qrx h SER 131 N 0.00 0.08 0.02 1.69 0.02 -1.97 -3.25 113.55 110.14 2qrx h SER 131 Ca 0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 2qrx h SER 131 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2qrx h SER 131 CO 0.00 0.95 0.00 -0.62 -1.14 0.00 0.00 176.83 176.02 2qrx n GLU 132 N -4.59 0.48 -0.07 3.45 4.71 -1.04 -4.92 120.64 118.66 2qrx n GLU 132 Ca -0.10 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 2qrx n GLU 132 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 2qrx n GLU 132 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qrx n GLY 133 N 0.01 0.95 3.54 0.62 0.00 -1.23 -4.98 105.19 104.10 2qrx n GLY 133 Ca 0.12 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 2qrx n GLY 133 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qrx n PHE 134 N 9.00 1.62 -3.60 1.61 -0.00 -1.26 -4.53 117.46 120.30 2qrx n PHE 134 Ca 0.00 0.09 -0.22 0.00 -0.00 0.00 0.00 57.45 57.32 2qrx n PHE 134 Cb 0.00 -2.63 -0.02 0.00 -0.00 0.00 0.00 39.48 36.83 2qrx n PHE 134 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 2qrx s HIS 135 N 9.23 2.37 -0.31 -5.13 -3.43 -1.26 -1.62 115.29 115.15 2qrx s HIS 135 Ca 1.05 -0.59 -0.11 0.00 -0.80 0.00 0.00 55.06 54.61 2qrx s HIS 135 Cb -0.49 -2.12 -0.03 0.00 -1.43 0.00 0.00 32.58 28.51 2qrx s HIS 135 CO 0.37 -0.28 0.20 -1.17 -2.00 0.00 0.00 174.74 171.86 2qrx s LEU 136 N -4.20 4.21 -0.03 5.38 2.96 -0.71 -4.81 118.68 121.47 2qrx s LEU 136 Ca 0.46 -0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 2qrx s LEU 136 Cb -0.03 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2qrx s LEU 136 CO 0.27 -0.15 1.10 -0.62 -1.32 0.00 0.00 176.35 175.63 2qrx s ASP 137 N 1.71 7.18 0.42 3.68 2.15 -1.26 -4.83 116.67 125.72 2qrx s ASP 137 Ca 0.06 1.74 0.24 0.00 0.43 0.00 0.00 52.55 55.02 2qrx s ASP 137 Cb -0.17 -2.56 1.25 0.00 -0.30 0.00 0.00 42.92 41.14 2qrx s ASP 137 CO 0.09 -0.46 1.72 0.58 -0.17 0.00 0.00 175.17 176.94 2qrx h VAL 138 N 4.90 0.37 -0.31 1.11 2.07 -1.96 0.54 116.25 122.96 2qrx h VAL 138 Ca -0.36 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 2qrx h VAL 138 Cb 1.18 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2qrx h VAL 138 CO 0.83 0.05 -0.16 -0.33 0.02 0.00 0.00 177.57 177.98 2qrx h GLU 139 N 0.25 0.66 0.24 1.57 3.07 -1.99 -1.84 114.58 116.55 2qrx h GLU 139 Ca 0.67 -0.29 0.01 0.00 -0.50 0.00 0.00 59.36 59.25 2qrx h GLU 139 Cb 1.94 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.80 2qrx h GLU 139 CO -0.31 0.88 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.39 2qrx h ASP 140 N 0.42 -0.97 -0.30 1.42 3.32 -1.30 -1.70 116.42 117.32 2qrx h ASP 140 Ca 0.07 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.24 2qrx h ASP 140 Cb 0.68 0.35 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 2qrx h ASP 140 CO 0.05 -0.46 -0.24 0.22 -1.72 0.00 0.00 179.24 177.08 2qrx h TYR 141 N -0.65 -0.76 -1.39 4.55 3.20 -1.29 0.16 116.97 120.79 2qrx h TYR 141 Ca 0.00 0.04 0.40 0.00 3.14 0.00 0.00 58.73 62.32 2qrx h TYR 141 Cb 0.63 0.37 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 2qrx h TYR 141 CO -0.25 -0.18 0.99 -0.07 -1.64 0.00 0.00 178.16 177.01 2qrx h LEU 142 N -0.09 0.02 0.00 2.82 3.38 -1.20 0.26 115.31 120.50 2qrx h LEU 142 Ca 0.05 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 2qrx h LEU 142 Cb 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2qrx h LEU 142 CO -0.32 -0.00 -1.41 -0.07 0.09 0.00 0.00 178.44 176.72 2qrx h LEU 143 N 0.01 0.00 -0.52 1.67 3.38 0.12 -2.49 115.31 117.48 2qrx h LEU 143 Ca 0.67 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.60 2qrx h LEU 143 Cb 2.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 43.36 2qrx h LEU 143 CO -0.02 0.94 0.17 1.23 0.09 0.00 0.00 178.44 180.85 2qrx h GLY 144 N 3.37 0.86 1.52 0.83 0.00 0.21 -2.03 103.07 107.82 2qrx h GLY 144 Ca -0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 2qrx h GLY 144 CO 0.09 0.47 0.16 -2.22 0.00 0.00 0.00 176.54 175.04 2qrx h ILE 145 N 0.70 1.17 -0.38 2.60 1.08 -1.31 -1.40 117.51 119.97 2qrx h ILE 145 Ca 0.17 -0.54 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 2qrx h ILE 145 Cb 0.26 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2qrx h ILE 145 CO -0.01 0.21 0.22 0.25 -0.69 0.00 0.00 178.15 178.13 2qrx h LEU 146 N 0.61 0.46 0.03 1.44 5.85 -1.12 -1.86 115.31 120.74 2qrx h LEU 146 Ca 0.15 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2qrx h LEU 146 Cb 0.14 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2qrx h LEU 146 CO -0.01 0.40 -0.20 1.56 -0.34 0.00 0.00 178.44 179.85 2qrx h GLN 147 N 0.49 -0.32 -0.76 1.25 4.20 -0.61 -2.32 115.11 117.04 2qrx h GLN 147 Ca 0.13 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.97 2qrx h GLN 147 Cb 0.03 0.07 -0.12 0.00 0.30 0.00 0.00 27.48 27.77 2qrx h GLN 147 CO -0.02 -0.22 -0.47 1.25 -0.67 0.00 0.00 178.83 178.70 2qrx h LEU 148 N -0.34 -1.68 -1.15 1.46 5.85 -0.94 0.58 115.31 119.09 2qrx h LEU 148 Ca 0.05 0.28 0.09 0.00 0.84 0.00 0.00 57.88 59.14 2qrx h LEU 148 Cb 0.39 0.77 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 2qrx h LEU 148 CO -0.16 -0.30 0.59 0.00 -0.34 0.00 0.00 178.44 178.23 2qrx h ALA 149 N 0.70 1.59 -0.13 1.25 0.00 -0.84 0.36 119.26 122.20 2qrx h ALA 149 Ca 0.20 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2qrx h ALA 149 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qrx h ALA 149 CO -0.81 0.23 -0.50 1.03 0.00 0.00 0.00 179.25 179.20 2qrx h SER 150 N 0.94 0.38 0.12 0.00 0.87 0.52 -2.40 113.55 113.97 2qrx h SER 150 Ca 0.42 -0.19 -0.19 0.00 -1.23 0.00 0.00 61.79 60.61 2qrx h SER 150 Cb 0.38 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2qrx h SER 150 CO -0.18 0.82 -0.70 -0.08 -0.53 0.00 0.00 176.83 176.15 2qrx h GLU 151 N 0.28 0.53 -0.21 2.24 4.57 0.25 -2.99 114.58 119.24 2qrx h GLU 151 Ca 0.01 -0.41 -0.11 0.00 -1.18 0.00 0.00 59.36 57.67 2qrx h GLU 151 Cb 0.98 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 2qrx h GLU 151 CO 0.08 1.03 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.52 2qrx h LEU 152 N 0.37 0.46 -1.13 1.64 3.38 -0.65 -1.63 115.31 117.75 2qrx h LEU 152 Ca -0.03 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2qrx h LEU 152 Cb 1.28 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2qrx h LEU 152 CO 0.13 0.79 0.59 0.28 0.09 0.00 0.00 178.44 180.32 2qrx h SER 153 N 0.38 0.96 -0.62 -0.43 0.02 -1.28 0.23 113.55 112.80 2qrx h SER 153 Ca 0.04 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2qrx h SER 153 Cb 0.81 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2qrx h SER 153 CO 0.07 0.64 0.07 -0.09 -1.14 0.00 0.00 176.83 176.38 2qrx h ARG 154 N 1.10 1.06 -0.39 3.45 2.43 -1.43 -2.83 114.38 117.78 2qrx h ARG 154 Ca 0.37 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2qrx h ARG 154 Cb 0.07 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2qrx h ARG 154 CO -0.12 1.00 0.05 0.35 -1.51 0.00 0.00 179.97 179.74 2qrx h PHE 155 N 0.96 0.69 -0.88 2.20 3.57 -0.12 -1.05 116.94 122.31 2qrx h PHE 155 Ca 0.19 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2qrx h PHE 155 Cb 0.48 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 2qrx h PHE 155 CO 0.04 0.69 0.57 0.00 -2.23 0.00 0.00 178.31 177.38 2qrx h ALA 156 N 0.91 1.13 -0.29 2.41 0.00 -0.59 0.51 119.26 123.35 2qrx h ALA 156 Ca 0.12 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2qrx h ALA 156 Cb 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qrx h ALA 156 CO 0.01 0.47 -0.47 1.15 0.00 0.00 0.00 179.25 180.41 2qrx h THR 157 N 1.15 1.29 -0.31 0.00 2.02 -1.27 -2.42 112.91 113.37 2qrx h THR 157 Ca 0.33 -1.66 -0.13 0.00 0.77 0.00 0.00 66.41 65.72 2qrx h THR 157 Cb -0.07 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2qrx h THR 157 CO -0.09 0.54 -0.34 0.78 0.37 0.00 0.00 175.52 176.78 2qrx h ASN 158 N 0.61 0.72 -0.44 4.18 2.35 -0.85 -3.06 115.58 119.09 2qrx h ASN 158 Ca 0.03 -0.30 0.09 0.00 -0.55 0.00 0.00 56.30 55.57 2qrx h ASN 158 Cb 1.04 -0.20 -0.10 0.00 0.05 0.00 0.00 38.32 39.11 2qrx h ASN 158 CO 0.10 1.00 -0.32 -1.28 -1.65 0.00 0.00 177.43 175.28 2qrx h SER 159 N 0.58 -1.07 -0.57 5.81 0.87 0.35 -1.42 113.55 118.11 2qrx h SER 159 Ca 0.06 0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.85 2qrx h SER 159 Cb 0.85 0.51 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 2qrx h SER 159 CO 0.07 -0.31 0.38 0.58 -0.53 0.00 0.00 176.83 177.02 2qrx h VAL 160 N -0.22 1.07 0.00 2.23 2.07 -1.35 -2.12 116.25 117.92 2qrx h VAL 160 Ca 0.19 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 2qrx h VAL 160 Cb 0.53 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2qrx h VAL 160 CO -0.56 0.12 -0.61 0.71 0.02 0.00 0.00 177.57 177.25 2qrx h THR 161 N 0.65 1.28 -0.10 2.57 1.35 -1.22 -0.13 112.91 117.32 2qrx h THR 161 Ca 0.23 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 2qrx h THR 161 Cb 0.10 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2qrx h THR 161 CO -0.06 0.60 0.00 0.23 -0.25 0.00 0.00 175.52 176.04 2qrx n MET 162 N -3.58 1.33 -1.26 4.72 2.81 -0.81 -4.95 117.12 115.38 2qrx n MET 162 Ca -0.00 -0.51 -0.09 0.00 -1.81 0.00 0.00 57.70 55.29 2qrx n MET 162 Cb 0.66 -1.27 -0.04 0.00 -0.71 0.00 0.00 33.22 31.86 2qrx n MET 162 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qrx n GLY 163 N 0.88 1.06 2.22 3.03 0.00 -0.06 -4.92 105.19 107.40 2qrx n GLY 163 Ca 0.12 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 2qrx n GLY 163 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qrx n ASP 164 N 0.28 6.22 -0.11 1.61 -0.08 -0.99 -4.81 116.55 118.67 2qrx n ASP 164 Ca -0.09 -3.02 0.10 0.00 -1.51 0.00 0.00 54.79 50.27 2qrx n ASP 164 Cb 0.32 -1.22 0.18 0.00 2.34 0.00 0.00 41.12 42.74 2qrx n ASP 164 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2qrx n TYR 165 N 1.04 0.24 0.01 -0.67 4.02 -1.26 -0.73 117.16 119.80 2qrx n TYR 165 Ca 0.41 0.24 -0.16 0.00 -0.01 0.00 0.00 57.90 58.39 2qrx n TYR 165 Cb 0.62 -0.63 -0.14 0.00 -0.02 0.00 0.00 39.34 39.17 2qrx n TYR 165 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2qrx h GLU 166 N 0.00 0.17 -0.99 -0.72 4.11 -1.98 -3.11 114.58 112.06 2qrx h GLU 166 Ca 0.24 -0.29 0.05 0.00 0.07 0.00 0.00 59.36 59.43 2qrx h GLU 166 Cb 0.71 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 2qrx h GLU 166 CO -0.16 0.94 0.64 -0.09 0.07 0.00 0.00 179.01 180.41 2qrx h ARG 167 N 0.05 1.18 -0.52 1.06 2.43 -1.35 -0.07 114.38 117.15 2qrx h ARG 167 Ca -0.33 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 58.87 2qrx h ARG 167 Cb 2.02 -0.27 -0.07 0.00 -0.42 0.00 0.00 29.97 31.23 2qrx h ARG 167 CO 0.10 0.78 0.10 1.03 -1.51 0.00 0.00 179.97 180.47 2qrx h SER 168 N 1.22 -0.02 -0.04 -3.80 0.87 -1.56 -1.50 113.55 108.72 2qrx h SER 168 Ca 0.41 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.98 2qrx h SER 168 Cb 0.06 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2qrx h SER 168 CO -0.14 0.01 -0.20 -0.07 -0.53 0.00 0.00 176.83 175.90 2qrx h LEU 169 N 0.23 0.41 0.02 2.23 3.38 -0.98 -1.98 115.31 118.61 2qrx h LEU 169 Ca 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qrx h LEU 169 Cb 0.37 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qrx h LEU 169 CO -0.35 0.62 -0.01 0.78 0.09 0.00 0.00 178.44 179.57 2qrx h ASN 170 N 0.38 -0.02 -0.70 -0.43 2.35 -0.63 -1.56 115.58 114.97 2qrx h ASN 170 Ca 0.06 -0.11 0.15 0.00 -0.55 0.00 0.00 56.30 55.85 2qrx h ASN 170 Cb 0.57 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.84 2qrx h ASN 170 CO 0.04 0.10 0.15 0.40 -1.65 0.00 0.00 177.43 176.47 2qrx h ILE 171 N -0.14 0.54 -0.31 2.81 2.04 -0.85 -1.67 117.51 119.93 2qrx h ILE 171 Ca -0.00 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 2qrx h ILE 171 Cb 0.13 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2qrx h ILE 171 CO 0.00 0.05 -0.17 0.28 0.00 0.00 0.00 178.15 178.31 2qrx h SER 172 N 0.25 0.55 -0.58 1.72 0.02 -1.04 0.39 113.55 114.85 2qrx h SER 172 Ca 0.39 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2qrx h SER 172 Cb 0.64 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 2qrx h SER 172 CO -0.49 0.73 0.34 0.45 -1.14 0.00 0.00 176.83 176.72 2qrx h HIS 173 N 0.50 0.62 -0.22 3.45 3.86 -0.58 -2.56 115.15 120.23 2qrx h HIS 173 Ca 0.08 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 2qrx h HIS 173 Cb 0.58 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2qrx h HIS 173 CO 0.02 0.33 -0.06 0.35 0.86 0.00 0.00 177.93 179.44 2qrx h PHE 174 N 0.65 0.48 0.53 2.45 3.57 -0.28 -0.94 116.94 123.40 2qrx h PHE 174 Ca 0.25 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2qrx h PHE 174 Cb 0.08 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2qrx h PHE 174 CO -0.07 0.67 -0.26 0.82 -2.23 0.00 0.00 178.31 177.24 2qrx h ILE 175 N 0.16 0.47 -0.56 1.41 2.04 -0.25 -0.40 117.51 120.37 2qrx h ILE 175 Ca 0.06 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.08 2qrx h ILE 175 Cb 0.52 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2qrx h ILE 175 CO 0.02 0.00 0.65 1.23 0.00 0.00 0.00 178.15 180.05 2qrx h GLY 176 N -0.72 0.00 0.45 5.37 0.00 -1.39 0.20 103.07 106.98 2qrx h GLY 176 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2qrx h GLY 176 CO 0.11 0.00 -0.01 -0.55 0.00 0.00 0.00 176.54 176.10 2qrx h ASP 177 N 0.00 -0.01 -0.82 0.19 5.19 0.34 -2.36 116.42 118.95 2qrx h ASP 177 Ca 0.27 -0.54 0.07 0.00 -0.62 0.00 0.00 57.03 56.21 2qrx h ASP 177 Cb 1.56 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.01 2qrx h ASP 177 CO -0.00 0.54 0.49 -0.07 -3.12 0.00 0.00 179.24 177.07 2qrx h LEU 178 N -0.57 0.75 -1.16 1.55 3.38 -0.00 -1.04 115.31 118.22 2qrx h LEU 178 Ca -0.00 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2qrx h LEU 178 Cb 0.55 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2qrx h LEU 178 CO 0.00 0.47 0.59 0.78 0.09 0.00 0.00 178.44 180.36 2qrx h ASN 179 N 0.88 0.87 1.06 -0.43 4.21 -0.74 0.50 115.58 121.92 2qrx h ASN 179 Ca 0.37 0.01 -0.17 0.00 1.21 0.00 0.00 56.30 57.72 2qrx h ASN 179 Cb 0.23 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 2qrx h ASN 179 CO -0.19 0.54 -0.83 0.71 -1.29 0.00 0.00 177.43 176.37 2qrx h THR 180 N 0.98 1.48 -0.41 2.81 1.35 -0.83 -1.38 112.91 116.91 2qrx h THR 180 Ca 0.40 -2.96 -0.03 0.00 -0.55 0.00 0.00 66.41 63.28 2qrx h THR 180 Cb 0.28 2.65 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 2qrx h THR 180 CO -0.16 0.81 0.14 1.23 -0.25 0.00 0.00 175.52 177.29 2qrx h GLY 181 N 2.94 0.63 0.46 5.82 0.00 0.39 -2.17 103.07 111.14 2qrx h GLY 181 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 2qrx h GLY 181 CO 0.11 0.29 -0.49 0.74 0.00 0.00 0.00 176.54 177.19 2qrx h PHE 182 N 0.58 0.35 -1.10 5.60 0.04 -0.06 -3.14 116.94 119.22 2qrx h PHE 182 Ca 0.14 -0.25 0.30 0.00 2.80 0.00 0.00 57.97 60.97 2qrx h PHE 182 Cb 0.16 -0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.19 2qrx h PHE 182 CO 0.01 1.17 0.72 0.00 -0.60 0.00 0.00 178.31 179.60 2qrx h ARG 183 N -0.56 0.29 0.00 1.51 3.08 -1.16 0.43 114.38 117.97 2qrx h ARG 183 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2qrx h ARG 183 Cb 1.36 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2qrx h ARG 183 CO 0.09 0.19 0.00 -0.11 -1.07 0.00 0.00 179.97 179.08 2qrx n LEU 184 N -4.59 0.00 0.00 3.04 7.94 -0.82 -4.51 117.00 118.06 2qrx n LEU 184 Ca 0.27 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2qrx n LEU 184 Cb 1.00 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.71 2qrx n LEU 184 CO 0.26 -0.24 0.00 0.18 -1.11 0.00 0.00 177.39 176.48 2qrx n LEU 185 N -1.25 0.00 0.00 -1.96 4.32 0.15 -5.10 117.00 113.16 2qrx n LEU 185 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 2qrx n LEU 185 Cb 0.01 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.79 2qrx n LEU 185 CO 0.01 0.00 -0.02 0.59 -1.22 0.00 0.00 177.39 176.75 2qrx n ASN 186 N 0.00 -0.12 -0.93 -1.43 3.02 -1.25 -5.10 115.26 109.45 2qrx n ASN 186 Ca 0.00 -1.44 0.12 0.00 -0.03 0.00 0.00 54.58 53.23 2qrx n ASN 186 Cb 0.00 0.33 0.10 0.00 -0.61 0.00 0.00 39.78 39.60 2qrx n ASN 186 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53