#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qsn s ASP 50 N 0.00 5.28 -0.52 1.96 1.01 -0.12 -4.93 116.67 119.34 1qsn s ASP 50 Ca 0.00 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.13 1qsn s ASP 50 Cb 0.00 -1.32 0.13 0.00 1.01 0.00 0.00 42.92 42.74 1qsn s ASP 50 CO 0.00 0.12 0.27 -0.36 0.21 0.00 0.00 175.17 175.41 1qsn s PHE 51 N -1.57 3.22 0.14 4.23 0.40 -1.26 -0.06 117.98 123.08 1qsn s PHE 51 Ca 0.29 -3.13 0.07 0.00 -0.60 0.00 0.00 56.93 53.55 1qsn s PHE 51 Cb -0.11 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.53 1qsn s PHE 51 CO 0.21 -0.75 -0.01 -0.51 0.70 0.00 0.00 175.22 174.86 1qsn s ASP 52 N -0.18 4.81 -0.11 1.36 1.01 -0.82 -4.87 116.67 117.87 1qsn s ASP 52 Ca 0.17 -0.33 -0.30 0.00 0.71 0.00 0.00 52.55 52.80 1qsn s ASP 52 Cb -0.25 -1.05 -0.02 0.00 1.01 0.00 0.00 42.92 42.60 1qsn s ASP 52 CO -0.01 0.12 1.21 -0.63 0.21 0.00 0.00 175.17 176.08 1qsn s ILE 53 N -1.55 4.31 -0.41 0.77 -1.09 -1.26 -0.50 121.20 121.47 1qsn s ILE 53 Ca 0.26 1.60 -0.18 0.00 -2.23 0.00 0.00 60.65 60.11 1qsn s ILE 53 Cb -0.10 -4.03 0.02 0.00 -1.58 0.00 0.00 42.46 36.76 1qsn s ILE 53 CO 0.18 -0.07 0.46 -0.22 -1.23 0.00 0.00 174.94 174.06 1qsn s LEU 54 N 2.80 4.72 0.04 2.97 2.96 0.25 -4.94 118.68 127.48 1qsn s LEU 54 Ca 0.54 -0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 53.67 1qsn s LEU 54 Cb -0.23 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1qsn s LEU 54 CO 0.18 -0.57 0.80 -0.89 -1.32 0.00 0.00 176.35 174.55 1qsn s THR 55 N 2.24 4.74 -1.16 3.68 2.01 -1.26 -4.05 115.64 121.83 1qsn s THR 55 Ca 0.14 1.70 -0.13 0.00 0.31 0.00 0.00 61.69 63.70 1qsn s THR 55 Cb -0.16 -4.15 0.19 0.00 0.01 0.00 0.00 72.50 68.39 1qsn s THR 55 CO 0.14 0.34 1.34 0.21 -0.69 0.00 0.00 174.62 175.95 1qsn s ASN 56 N 0.10 7.08 -0.11 3.53 2.47 -1.26 -4.76 114.94 121.98 1qsn s ASN 56 Ca 0.40 -3.02 0.16 0.00 0.42 0.00 0.00 52.86 50.82 1qsn s ASN 56 Cb -0.21 -2.36 0.57 0.00 -1.45 0.00 0.00 41.25 37.80 1qsn s ASN 56 CO 0.24 -0.69 1.48 -0.90 -3.72 0.00 0.00 177.10 173.52 1qsn n ASP 57 N 5.16 4.11 -1.38 -4.21 5.68 -1.26 -4.97 116.55 119.67 1qsn n ASP 57 Ca 0.33 -2.52 -0.14 0.00 -0.50 0.00 0.00 54.79 51.95 1qsn n ASP 57 Cb 0.43 -0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 39.89 1qsn n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qsn n GLY 58 N 0.49 0.64 3.92 6.12 0.00 -1.26 -5.02 105.19 110.08 1qsn n GLY 58 Ca 0.21 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1qsn n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qsn s THR 59 N -2.63 5.26 0.22 2.61 -4.23 -1.26 -4.97 115.64 110.63 1qsn s THR 59 Ca 0.00 -0.66 -0.08 0.00 -1.18 0.00 0.00 61.69 59.77 1qsn s THR 59 Cb 0.00 -3.67 0.16 0.00 1.34 0.00 0.00 72.50 70.33 1qsn s THR 59 CO 0.00 -0.04 1.80 0.45 -0.54 0.00 0.00 174.62 176.29 1qsn h HIS 60 N 2.37 0.69 0.30 3.99 3.86 -1.98 -0.56 115.15 123.81 1qsn h HIS 60 Ca -0.48 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.75 1qsn h HIS 60 Cb 1.19 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1qsn h HIS 60 CO 0.55 0.30 -0.14 -0.09 0.86 0.00 0.00 177.93 179.41 1qsn h ARG 61 N 0.68 -0.39 -0.19 2.45 2.43 -1.99 -1.82 114.38 115.55 1qsn h ARG 61 Ca 0.33 0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.37 1qsn h ARG 61 Cb 0.26 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1qsn h ARG 61 CO -0.21 -0.20 -0.52 -0.91 -1.51 0.00 0.00 179.97 176.61 1qsn h ASN 62 N -0.49 0.59 -0.45 -3.80 -0.26 -1.85 -2.59 115.58 106.73 1qsn h ASN 62 Ca -0.04 -0.31 -0.06 0.00 -0.56 0.00 0.00 56.30 55.33 1qsn h ASN 62 Cb 0.37 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1qsn h ASN 62 CO 0.07 1.01 0.07 0.24 -1.06 0.00 0.00 177.43 177.76 1qsn h MET 63 N 0.42 0.81 -0.37 0.81 2.86 -1.11 0.10 114.93 118.45 1qsn h MET 63 Ca 0.01 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 1qsn h MET 63 Cb 1.06 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1qsn h MET 63 CO 0.10 0.77 -0.13 -0.22 1.06 0.00 0.00 176.91 178.49 1qsn h LYS 64 N 0.77 0.66 -0.17 1.72 3.64 -1.23 -1.00 116.57 120.97 1qsn h LYS 64 Ca 0.16 -0.22 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1qsn h LYS 64 Cb 0.37 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1qsn h LYS 64 CO 0.01 0.77 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.22 1qsn h LEU 65 N 0.60 0.75 -0.69 5.20 3.38 -1.00 -1.82 115.31 121.73 1qsn h LEU 65 Ca 0.10 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 1qsn h LEU 65 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1qsn h LEU 65 CO 0.04 1.21 -0.28 -0.07 0.09 0.00 0.00 178.44 179.43 1qsn h LEU 66 N 0.47 0.73 -0.25 1.67 -0.00 -0.75 -1.82 115.31 115.37 1qsn h LEU 66 Ca -0.02 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.88 57.50 1qsn h LEU 66 Cb 1.26 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 1qsn h LEU 66 CO 0.13 0.97 -0.15 0.40 -0.00 0.00 0.00 178.44 179.80 1qsn h ILE 67 N 0.61 1.31 -0.88 1.22 2.04 -1.15 0.79 117.51 121.44 1qsn h ILE 67 Ca 0.08 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.76 1qsn h ILE 67 Cb 0.78 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 1qsn h ILE 67 CO 0.06 0.39 0.55 0.44 0.00 0.00 0.00 178.15 179.59 1qsn h ASP 68 N 0.25 0.85 -0.38 1.72 3.32 -1.24 0.13 116.42 121.07 1qsn h ASP 68 Ca 0.05 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 1qsn h ASP 68 Cb 0.66 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1qsn h ASP 68 CO 0.04 0.54 -0.35 0.25 -1.72 0.00 0.00 179.24 178.00 1qsn h LEU 69 N 0.98 0.98 -0.91 1.55 7.12 -1.14 -1.78 115.31 122.12 1qsn h LEU 69 Ca 0.39 -0.43 -0.05 0.00 0.13 0.00 0.00 57.88 57.91 1qsn h LEU 69 Cb 0.20 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 1qsn h LEU 69 CO -0.18 1.23 0.20 0.50 -0.13 0.00 0.00 178.44 180.05 1qsn h LYS 70 N 0.77 1.00 -0.15 1.25 3.11 0.05 -0.62 116.57 121.97 1qsn h LYS 70 Ca 0.07 -0.20 -0.10 0.00 -2.81 0.00 0.00 60.65 57.60 1qsn h LYS 70 Cb 0.94 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 1qsn h LYS 70 CO 0.09 0.86 -0.36 -0.91 -2.81 0.00 0.00 179.45 176.32 1qsn h ASN 71 N 0.96 0.34 -0.35 4.20 -0.26 -0.60 -1.53 115.58 118.33 1qsn h ASN 71 Ca 0.21 -0.13 -0.11 0.00 -0.56 0.00 0.00 56.30 55.71 1qsn h ASN 71 Cb 0.29 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1qsn h ASN 71 CO -0.01 0.68 -0.21 0.40 -1.06 0.00 0.00 177.43 177.23 1qsn h ILE 72 N 0.28 1.29 -0.17 2.81 2.04 -0.71 -2.15 117.51 120.89 1qsn h ILE 72 Ca 0.03 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.57 1qsn h ILE 72 Cb 0.77 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1qsn h ILE 72 CO 0.06 0.44 0.01 -0.26 0.00 0.00 0.00 178.15 178.40 1qsn h PHE 73 N 0.55 0.02 -0.03 1.37 0.05 -0.81 -1.06 116.94 117.02 1qsn h PHE 73 Ca 0.07 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.87 1qsn h PHE 73 Cb 0.76 0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.73 1qsn h PHE 73 CO 0.06 -0.01 0.01 0.66 -0.18 0.00 0.00 178.31 178.86 1qsn h SER 74 N 0.07 0.05 -0.90 2.17 4.64 -1.25 0.28 113.55 118.61 1qsn h SER 74 Ca 0.08 -0.16 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1qsn h SER 74 Cb 0.09 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 1qsn h SER 74 CO -0.12 0.19 0.58 -0.09 -0.87 0.00 0.00 176.83 176.52 1qsn h ARG 75 N -0.10 0.94 0.00 4.77 9.65 -1.31 -2.41 114.38 125.93 1qsn h ARG 75 Ca 0.01 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1qsn h ARG 75 Cb 0.16 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1qsn h ARG 75 CO -0.00 0.62 -0.52 1.96 2.80 0.00 0.00 179.97 184.83 1qsn h GLN 76 N 0.97 0.00 -2.16 0.20 1.08 -0.88 -3.38 115.11 110.94 1qsn h GLN 76 Ca 0.40 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 57.02 1qsn h GLN 76 Cb 0.29 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.31 1qsn h GLN 76 CO -0.16 0.00 -0.73 1.28 -0.95 0.00 0.00 178.83 178.27 1qsn n LEU 77 N -2.25 3.03 0.08 1.46 4.77 0.96 -4.96 117.00 120.09 1qsn n LEU 77 Ca 0.03 -5.31 0.20 0.00 -0.03 0.00 0.00 56.01 50.90 1qsn n LEU 77 Cb 0.45 -0.33 0.75 0.00 -2.33 0.00 0.00 43.42 41.96 1qsn n LEU 77 CO 0.35 2.11 1.18 1.55 -1.33 0.00 0.00 177.39 181.25 1qsn h PRO 78 N 3.92 0.00 0.00 3.23 0.13 -1.74 -1.06 132.00 136.48 1qsn h PRO 78 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1qsn h PRO 78 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1qsn h PRO 78 CO 0.75 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.15 1qsn n LYS 79 N -3.98 0.55 -3.65 0.86 5.02 -1.26 -4.78 118.16 110.92 1qsn n LYS 79 Ca 0.07 0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 1qsn n LYS 79 Cb 0.55 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.99 1qsn n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1qsn s MET 80 N -2.39 4.09 0.08 1.97 1.75 -0.40 -5.04 119.30 119.36 1qsn s MET 80 Ca 0.31 -0.03 -0.31 0.00 -1.25 0.00 0.00 55.69 54.42 1qsn s MET 80 Cb 0.19 -3.38 -0.09 0.00 2.84 0.00 0.00 34.83 34.39 1qsn s MET 80 CO 0.39 0.37 1.78 -2.14 -0.65 0.00 0.00 175.02 174.76 1qsn s PRO 81 N 0.12 4.16 0.31 4.11 0.02 -1.26 -4.86 135.00 137.60 1qsn s PRO 81 Ca 0.14 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.68 1qsn s PRO 81 Cb -0.12 -3.71 0.65 0.00 0.02 0.00 0.00 34.50 31.33 1qsn s PRO 81 CO 0.02 -0.82 1.86 -0.22 -0.33 0.00 0.00 177.00 177.51 1qsn h LYS 82 N 8.89 0.86 0.00 5.54 3.64 -1.94 0.54 116.57 134.10 1qsn h LYS 82 Ca -0.45 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1qsn h LYS 82 Cb 1.21 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1qsn h LYS 82 CO 0.94 0.57 -0.08 1.05 -2.27 0.00 0.00 179.45 179.66 1qsn h GLU 83 N 0.89 0.00 0.02 1.90 9.09 -1.99 -2.15 114.58 122.34 1qsn h GLU 83 Ca 0.46 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.63 1qsn h GLU 83 Cb 0.52 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1qsn h GLU 83 CO -0.22 0.08 -1.01 -0.92 0.05 0.00 0.00 179.01 176.99 1qsn h TYR 84 N 0.00 0.71 -0.43 2.06 3.20 -1.27 -1.87 116.97 119.37 1qsn h TYR 84 Ca -0.00 -0.40 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 1qsn h TYR 84 Cb 0.48 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1qsn h TYR 84 CO 0.00 1.23 0.10 0.82 -1.64 0.00 0.00 178.16 178.68 1qsn h ILE 85 N 0.25 1.23 -0.67 1.81 2.04 -1.09 -2.40 117.51 118.69 1qsn h ILE 85 Ca -0.10 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1qsn h ILE 85 Cb 1.66 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 1qsn h ILE 85 CO 0.18 0.28 0.43 0.58 0.00 0.00 0.00 178.15 179.62 1qsn h VAL 86 N 0.56 1.13 0.31 1.67 2.07 -1.39 -0.71 116.25 119.89 1qsn h VAL 86 Ca 0.13 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1qsn h VAL 86 Cb 0.32 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1qsn h VAL 86 CO 0.00 0.16 -0.15 0.50 0.02 0.00 0.00 177.57 178.10 1qsn h LYS 87 N 0.85 -0.40 0.02 1.57 3.64 -1.05 -2.44 116.57 118.76 1qsn h LYS 87 Ca 0.26 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1qsn h LYS 87 Cb -0.04 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1qsn h LYS 87 CO -0.08 -0.26 -0.01 -0.07 -2.27 0.00 0.00 179.45 176.76 1qsn h LEU 88 N -0.44 -0.02 -0.98 5.20 3.38 -1.36 -2.09 115.31 118.99 1qsn h LEU 88 Ca -0.04 -0.32 0.17 0.00 0.09 0.00 0.00 57.88 57.78 1qsn h LEU 88 Cb 0.33 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 1qsn h LEU 88 CO 0.07 0.31 0.59 0.58 0.09 0.00 0.00 178.44 180.07 1qsn h VAL 89 N -0.35 0.74 -0.63 1.22 2.07 -1.17 -1.75 116.25 116.39 1qsn h VAL 89 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1qsn h VAL 89 Cb 0.34 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1qsn h VAL 89 CO 0.00 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.23 1qsn n PHE 90 N -4.76 0.83 -1.89 1.57 3.01 -0.92 -4.80 117.46 110.49 1qsn n PHE 90 Ca 0.22 -0.41 -0.30 0.00 1.01 0.00 0.00 57.45 57.97 1qsn n PHE 90 Cb 0.52 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.05 1qsn n PHE 90 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1qsn s ASP 91 N -1.15 5.07 0.03 4.37 3.84 -0.66 -4.95 116.67 123.22 1qsn s ASP 91 Ca 0.46 0.99 0.12 0.00 -0.00 0.00 0.00 52.55 54.12 1qsn s ASP 91 Cb 0.25 -1.66 0.53 0.00 -1.38 0.00 0.00 42.92 40.66 1qsn s ASP 91 CO 0.33 -1.57 1.39 -2.11 -0.00 0.00 0.00 175.17 173.21 1qsn n ARG 92 N -3.13 0.02 -0.01 2.11 1.85 -1.26 -3.12 116.66 113.12 1qsn n ARG 92 Ca 0.07 0.33 0.09 0.00 -1.00 0.00 0.00 57.85 57.34 1qsn n ARG 92 Cb 0.59 -1.54 -0.13 0.00 -1.05 0.00 0.00 32.46 30.33 1qsn n ARG 92 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1qsn n HIS 93 N -1.58 0.00 -3.69 2.89 8.25 -1.26 -5.02 115.22 114.80 1qsn n HIS 93 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1qsn n HIS 93 Cb 0.14 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 30.91 1qsn n HIS 93 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1qsn s HIS 94 N -3.08 3.48 0.05 4.41 3.76 -1.18 -4.16 115.29 118.57 1qsn s HIS 94 Ca -0.04 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1qsn s HIS 94 Cb 0.12 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 1qsn s HIS 94 CO 0.72 0.34 -0.05 -1.21 -0.85 0.00 0.00 174.74 173.70 1qsn s GLU 95 N -3.70 0.57 -0.02 1.40 2.02 0.63 -4.84 118.70 114.76 1qsn s GLU 95 Ca 0.38 -1.01 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1qsn s GLU 95 Cb -0.10 -0.00 -0.00 0.00 0.10 0.00 0.00 34.13 34.13 1qsn s GLU 95 CO 0.31 -0.05 -0.11 -1.12 0.02 0.00 0.00 175.26 174.32 1qsn s SER 96 N -2.35 1.33 -0.19 -0.19 0.01 -1.26 -0.11 113.70 110.95 1qsn s SER 96 Ca -0.01 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 1qsn s SER 96 Cb -0.00 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1qsn s SER 96 CO -0.05 0.10 -0.05 -0.32 0.41 0.00 0.00 173.24 173.33 1qsn s MET 97 N 0.01 3.46 0.22 12.44 1.75 -0.33 0.85 119.30 137.69 1qsn s MET 97 Ca -0.00 -0.60 0.08 0.00 -1.25 0.00 0.00 55.69 53.92 1qsn s MET 97 Cb -0.07 -2.93 -0.04 0.00 2.84 0.00 0.00 34.83 34.63 1qsn s MET 97 CO 0.00 -0.02 -0.01 0.14 -0.65 0.00 0.00 175.02 174.49 1qsn s VAL 98 N 1.01 3.56 -0.45 10.11 -7.23 0.35 -0.94 120.40 126.82 1qsn s VAL 98 Ca 0.00 -1.67 -0.17 0.00 -1.81 0.00 0.00 61.98 58.34 1qsn s VAL 98 Cb -0.15 -2.84 0.04 0.00 0.56 0.00 0.00 36.38 33.99 1qsn s VAL 98 CO 0.00 -0.24 0.43 -0.63 -0.31 0.00 0.00 175.10 174.35 1qsn s ILE 99 N -2.00 5.13 -0.24 -0.62 1.01 -0.18 -1.94 121.20 122.36 1qsn s ILE 99 Ca 0.29 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 1qsn s ILE 99 Cb -0.08 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1qsn s ILE 99 CO 0.19 -0.51 0.13 -0.22 0.00 0.00 0.00 174.94 174.54 1qsn s LEU 100 N 1.97 3.93 -0.26 2.97 2.96 0.91 -1.71 118.68 129.45 1qsn s LEU 100 Ca 0.09 0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 1qsn s LEU 100 Cb -0.20 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1qsn s LEU 100 CO 0.11 0.05 0.12 -0.75 -1.32 0.00 0.00 176.35 174.55 1qsn s LYS 101 N 1.16 3.81 -1.32 1.98 2.20 0.14 -0.95 119.74 126.77 1qsn s LYS 101 Ca 0.06 -0.40 -0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1qsn s LYS 101 Cb -0.14 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1qsn s LYS 101 CO 0.05 -0.14 0.05 0.09 -0.36 0.00 0.00 175.35 175.04 1qsn n ASN 102 N 4.84 -4.71 -3.27 1.43 3.02 -1.26 -1.96 115.26 113.35 1qsn n ASN 102 Ca -0.15 -0.04 -0.23 0.00 -0.03 0.00 0.00 54.58 54.14 1qsn n ASN 102 Cb 0.52 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 1qsn n ASN 102 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qsn n LYS 103 N -2.57 -3.54 0.00 3.52 5.02 -1.26 -4.60 118.16 114.72 1qsn n LYS 103 Ca -0.17 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1qsn n LYS 103 Cb 0.64 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 1qsn n LYS 103 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qsn n GLN 104 N -3.73 0.00 -4.03 1.97 10.64 -1.18 -5.12 117.38 115.93 1qsn n GLN 104 Ca -0.03 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.79 1qsn n GLN 104 Cb 0.55 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.81 1qsn n GLN 104 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1qsn s LYS 105 N -0.93 3.67 -0.01 2.61 2.20 -0.83 -4.94 119.74 121.51 1qsn s LYS 105 Ca 0.00 -0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 54.85 1qsn s LYS 105 Cb 0.00 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1qsn s LYS 105 CO 0.00 0.02 0.85 0.08 -0.36 0.00 0.00 175.35 175.94 1qsn s VAL 106 N 0.99 4.88 0.00 4.02 1.01 -1.26 0.24 120.40 130.28 1qsn s VAL 106 Ca 0.02 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1qsn s VAL 106 Cb -0.14 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1qsn s VAL 106 CO 0.02 0.24 0.64 2.30 0.00 0.00 0.00 175.10 178.30 1qsn n ILE 107 N 3.60 0.40 0.00 2.22 -5.35 -0.70 -4.95 119.36 114.59 1qsn n ILE 107 Ca 0.02 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 1qsn n ILE 107 Cb 0.51 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1qsn n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qsn n GLY 108 N -0.20 -0.15 0.00 3.28 0.00 -1.25 -0.22 105.19 106.64 1qsn n GLY 108 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1qsn n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qsn n GLY 109 N -0.64 -0.56 2.78 -0.02 0.00 0.06 -1.02 105.19 105.79 1qsn n GLY 109 Ca 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1qsn n GLY 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qsn s ILE 110 N -2.00 -0.05 -0.15 -0.61 2.07 -0.11 -1.83 121.20 118.52 1qsn s ILE 110 Ca 0.00 0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.38 1qsn s ILE 110 Cb 0.00 -0.08 -0.03 0.00 0.13 0.00 0.00 42.46 42.48 1qsn s ILE 110 CO 0.00 0.08 0.00 0.00 -1.91 0.00 0.00 174.94 173.12 1qsn s PHE 112 N 0.16 0.79 -0.08 0.00 -0.12 0.84 0.18 117.98 119.75 1qsn s PHE 112 Ca 0.01 -1.12 -0.01 0.00 -0.05 0.00 0.00 56.93 55.77 1qsn s PHE 112 Cb -0.13 -0.34 0.03 0.00 -0.63 0.00 0.00 43.02 41.94 1qsn s PHE 112 CO 0.02 -0.64 -0.03 0.50 -0.05 0.00 0.00 175.22 175.02 1qsn s ARG 113 N -4.06 0.88 0.03 1.99 3.52 -0.16 -0.27 118.95 120.89 1qsn s ARG 113 Ca 0.26 -0.02 -0.18 0.00 -0.13 0.00 0.00 55.73 55.66 1qsn s ARG 113 Cb 0.06 -1.10 -0.06 0.00 -1.56 0.00 0.00 34.95 32.28 1qsn s ARG 113 CO 0.05 -0.25 0.53 -0.65 -0.81 0.00 0.00 175.30 174.16 1qsn s GLN 114 N 1.70 4.16 -0.76 5.12 -0.21 -1.26 -0.78 119.66 127.63 1qsn s GLN 114 Ca 0.02 0.64 0.03 0.00 0.02 0.00 0.00 55.36 56.06 1qsn s GLN 114 Cb -0.13 -3.26 0.24 0.00 1.00 0.00 0.00 33.01 30.86 1qsn s GLN 114 CO -0.05 0.58 0.81 0.66 -2.12 0.00 0.00 175.29 175.17 1qsn n TYR 115 N 2.02 3.50 -0.34 0.91 4.02 -0.01 -4.98 117.16 122.28 1qsn n TYR 115 Ca -0.11 -3.97 -0.08 0.00 -0.01 0.00 0.00 57.90 53.73 1qsn n TYR 115 Cb 0.51 -0.78 -0.05 0.00 -0.02 0.00 0.00 39.34 39.01 1qsn n TYR 115 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1qsn h LYS 116 N 4.93 -0.08 -0.79 -0.72 1.57 -1.95 -0.95 116.57 118.58 1qsn h LYS 116 Ca 0.18 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.13 1qsn h LYS 116 Cb 0.70 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.93 1qsn h LYS 116 CO 0.89 -0.05 0.32 -1.35 -0.57 0.00 0.00 179.45 178.68 1qsn h PRO 117 N -0.08 0.43 0.00 3.15 0.11 -1.95 -0.48 132.00 133.18 1qsn h PRO 117 Ca 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1qsn h PRO 117 Cb 0.51 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1qsn h PRO 117 CO -0.87 0.28 0.00 1.96 -0.21 0.00 0.00 178.00 179.16 1qsn h GLN 118 N 0.44 0.00 -3.67 1.05 7.50 -1.68 -3.48 115.11 115.27 1qsn h GLN 118 Ca 0.45 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 59.39 1qsn h GLN 118 Cb 0.71 0.00 0.08 0.00 0.05 0.00 0.00 27.48 28.32 1qsn h GLN 118 CO -0.43 0.00 -0.37 0.54 -1.50 0.00 0.00 178.83 177.06 1qsn n ARG 119 N -2.46 -4.07 -3.75 1.46 1.74 -0.19 -4.93 116.66 104.46 1qsn n ARG 119 Ca 0.05 0.44 -0.11 0.00 -0.77 0.00 0.00 57.85 57.46 1qsn n ARG 119 Cb 0.42 -4.30 -0.07 0.00 -1.02 0.00 0.00 32.46 27.49 1qsn n ARG 119 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1qsn s PHE 120 N -3.18 -0.09 0.05 -1.55 -0.12 -1.21 -1.18 117.98 110.70 1qsn s PHE 120 Ca 0.23 -0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.02 1qsn s PHE 120 Cb -0.10 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1qsn s PHE 120 CO 0.39 -0.55 -0.10 0.00 -0.05 0.00 0.00 175.22 174.91 1qsn s ALA 121 N -2.98 0.76 -0.11 1.99 0.00 -0.38 -0.83 121.76 120.21 1qsn s ALA 121 Ca -0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1qsn s ALA 121 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1qsn s ALA 121 CO -0.06 0.02 -0.05 -2.00 0.00 0.00 0.00 175.76 173.67 1qsn s GLU 122 N -1.74 3.21 -0.19 0.00 2.12 0.04 0.08 118.70 122.23 1qsn s GLU 122 Ca -0.07 -0.53 -0.25 0.00 0.36 0.00 0.00 54.97 54.49 1qsn s GLU 122 Cb -0.09 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.53 1qsn s GLU 122 CO 0.01 0.46 0.83 0.08 -0.54 0.00 0.00 175.26 176.10 1qsn s VAL 123 N -0.25 4.87 -0.12 3.70 1.01 -0.09 -0.99 120.40 128.52 1qsn s VAL 123 Ca 0.04 1.61 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 1qsn s VAL 123 Cb -0.13 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1qsn s VAL 123 CO 0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 175.10 174.99 1qsn h ALA 124 N 7.43 0.00 -3.24 5.51 0.00 -0.61 -3.43 119.26 124.93 1qsn h ALA 124 Ca -0.27 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.04 1qsn h ALA 124 Cb 1.12 0.37 -0.23 0.00 0.00 0.00 0.00 17.79 19.05 1qsn h ALA 124 CO 0.85 0.37 -0.72 -0.06 0.00 0.00 0.00 179.25 179.69 1qsn s PHE 125 N -2.02 0.34 -0.05 0.00 0.40 -0.98 -4.97 117.98 110.70 1qsn s PHE 125 Ca -0.11 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.82 1qsn s PHE 125 Cb 0.01 -0.22 0.04 0.00 0.51 0.00 0.00 43.02 43.36 1qsn s PHE 125 CO 0.16 -0.11 0.09 -1.17 0.70 0.00 0.00 175.22 174.89 1qsn s LEU 126 N -1.12 0.74 -0.04 -0.37 2.96 -1.26 -0.05 118.68 119.53 1qsn s LEU 126 Ca -0.10 0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 1qsn s LEU 126 Cb -0.08 0.13 0.10 0.00 0.50 0.00 0.00 46.19 46.85 1qsn s LEU 126 CO -0.00 -0.16 0.88 0.00 -1.32 0.00 0.00 176.35 175.75 1qsn s ALA 127 N 1.33 -1.84 -0.04 5.97 0.00 -0.76 -5.02 121.76 121.40 1qsn s ALA 127 Ca -0.07 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1qsn s ALA 127 Cb -0.12 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1qsn s ALA 127 CO -0.04 -0.55 -0.18 0.08 0.00 0.00 0.00 175.76 175.06 1qsn s VAL 128 N -2.40 1.49 0.35 0.00 1.01 -1.26 -0.76 120.40 118.82 1qsn s VAL 128 Ca 0.01 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 1qsn s VAL 128 Cb -0.01 -1.27 -0.12 0.00 0.00 0.00 0.00 36.38 34.98 1qsn s VAL 128 CO -0.04 0.43 1.33 1.07 0.00 0.00 0.00 175.10 177.88 1qsn n THR 129 N 3.08 1.99 -0.32 3.92 5.66 0.69 -4.76 114.28 124.54 1qsn n THR 129 Ca -0.18 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.35 1qsn n THR 129 Cb 0.53 -1.65 0.10 0.00 -1.55 0.00 0.00 70.33 67.76 1qsn n THR 129 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qsn h ALA 130 N 2.65 0.49 0.00 1.79 0.00 -1.95 -0.11 119.26 122.12 1qsn h ALA 130 Ca -0.47 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qsn h ALA 130 Cb 1.27 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1qsn h ALA 130 CO 0.63 -0.44 0.00 0.27 0.00 0.00 0.00 179.25 179.71 1qsn n ASN 131 N -5.55 0.00 0.00 0.00 6.94 -1.26 -2.54 115.26 112.85 1qsn n ASN 131 Ca 0.13 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 53.85 1qsn n ASN 131 Cb 0.44 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 1qsn n ASN 131 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1qsn n GLU 132 N -0.85 1.51 -1.68 -3.83 -0.58 -0.08 -5.07 120.64 110.07 1qsn n GLU 132 Ca 0.11 -1.02 -0.30 0.00 -0.42 0.00 0.00 57.16 55.53 1qsn n GLU 132 Cb 0.05 -0.85 0.07 0.00 -0.57 0.00 0.00 31.44 30.14 1qsn n GLU 132 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1qsn s GLN 133 N -0.55 2.40 -1.31 3.49 -0.21 -1.05 -4.19 119.66 118.23 1qsn s GLN 133 Ca 0.00 0.57 -0.02 0.00 0.02 0.00 0.00 55.36 55.94 1qsn s GLN 133 Cb 0.00 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 32.06 1qsn s GLN 133 CO 0.00 -1.39 0.80 0.28 -2.12 0.00 0.00 175.29 172.86 1qsn n VAL 134 N -3.26 -4.43 -0.88 1.09 0.31 -1.26 -4.86 118.33 105.03 1qsn n VAL 134 Ca 0.07 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1qsn n VAL 134 Cb 0.57 -3.90 0.00 0.00 -0.91 0.00 0.00 33.84 29.59 1qsn n VAL 134 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qsn n ARG 135 N -4.32 0.29 -0.68 5.55 1.74 -1.26 -5.00 116.66 112.98 1qsn n ARG 135 Ca -0.25 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.28 1qsn n ARG 135 Cb 0.66 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 1qsn n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qsn n GLY 136 N -0.05 0.88 0.13 -0.13 0.00 -1.26 -4.96 105.19 99.81 1qsn n GLY 136 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1qsn n GLY 136 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qsn h TYR 137 N 0.00 0.35 -0.87 1.61 0.99 -1.95 -2.37 116.97 114.73 1qsn h TYR 137 Ca 0.00 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1qsn h TYR 137 Cb 0.00 -0.12 -0.05 0.00 1.00 0.00 0.00 36.73 37.57 1qsn h TYR 137 CO 0.00 0.26 0.58 0.78 -0.00 0.00 0.00 178.16 179.78 1qsn h GLY 138 N 0.34 1.25 1.19 3.88 0.00 -1.92 0.03 103.07 107.83 1qsn h GLY 138 Ca 0.10 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 1qsn h GLY 138 CO -0.02 0.38 -0.50 -0.84 0.00 0.00 0.00 176.54 175.56 1qsn h THR 139 N 1.10 1.28 -0.15 4.70 2.02 -1.94 -2.30 112.91 117.62 1qsn h THR 139 Ca 0.34 -1.69 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 1qsn h THR 139 Cb 0.00 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1qsn h THR 139 CO -0.10 0.55 -0.25 0.03 0.37 0.00 0.00 175.52 176.13 1qsn h ARG 140 N 0.67 0.26 -0.13 6.66 3.08 -1.04 -1.94 114.38 121.95 1qsn h ARG 140 Ca 0.03 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1qsn h ARG 140 Cb 1.10 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1qsn h ARG 140 CO 0.11 0.50 -0.02 1.25 -1.07 0.00 0.00 179.97 180.75 1qsn h LEU 141 N 0.24 0.24 -1.00 3.04 5.85 -0.84 -0.97 115.31 121.87 1qsn h LEU 141 Ca 0.04 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1qsn h LEU 141 Cb 0.57 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1qsn h LEU 141 CO 0.04 0.53 0.59 -0.03 -0.34 0.00 0.00 178.44 179.23 1qsn h MET 142 N -0.05 1.27 -0.48 1.25 4.05 -1.22 0.29 114.93 120.05 1qsn h MET 142 Ca 0.04 -0.10 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 1qsn h MET 142 Cb 0.41 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1qsn h MET 142 CO 0.01 0.87 -0.01 -0.91 0.23 0.00 0.00 176.91 177.10 1qsn h ASN 143 N 1.30 0.84 -0.82 1.39 2.35 -1.24 0.27 115.58 119.66 1qsn h ASN 143 Ca 0.34 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1qsn h ASN 143 Cb -0.09 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.02 1qsn h ASN 143 CO -0.07 0.95 0.37 0.11 -1.65 0.00 0.00 177.43 177.14 1qsn h LYS 144 N 0.70 1.20 -0.40 0.81 1.79 -0.52 -1.62 116.57 118.53 1qsn h LYS 144 Ca 0.13 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1qsn h LYS 144 Cb 0.53 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1qsn h LYS 144 CO 0.03 0.94 0.14 0.35 -1.08 0.00 0.00 179.45 179.83 1qsn h PHE 145 N 1.18 0.64 -0.72 -1.35 3.04 -0.09 -1.25 116.94 118.38 1qsn h PHE 145 Ca 0.28 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 62.12 1qsn h PHE 145 Cb 0.16 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 1qsn h PHE 145 CO 0.02 0.58 0.25 0.87 -2.02 0.00 0.00 178.31 178.01 1qsn h LYS 146 N 0.51 1.10 0.05 1.11 1.57 -0.64 -0.53 116.57 119.74 1qsn h LYS 146 Ca 0.13 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1qsn h LYS 146 Cb 0.23 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1qsn h LYS 146 CO -0.01 0.92 -0.02 0.22 -0.57 0.00 0.00 179.45 179.99 1qsn h ASP 147 N 1.06 -0.05 -0.83 0.86 1.82 -1.07 -0.21 116.42 117.99 1qsn h ASP 147 Ca 0.24 -0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.83 1qsn h ASP 147 Cb 0.26 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.24 1qsn h ASP 147 CO -0.01 0.03 0.54 -0.74 -1.61 0.00 0.00 179.24 177.45 1qsn h HIS 148 N -0.13 1.03 -0.70 0.28 2.76 -1.04 -1.45 115.15 115.90 1qsn h HIS 148 Ca -0.01 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 1qsn h HIS 148 Cb 0.11 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.70 1qsn h HIS 148 CO -0.05 0.63 0.25 0.52 -1.30 0.00 0.00 177.93 177.97 1qsn h MET 149 N 1.09 1.05 -0.54 5.26 2.86 -0.78 0.14 114.93 124.02 1qsn h MET 149 Ca 0.31 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1qsn h MET 149 Cb -0.08 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.38 1qsn h MET 149 CO -0.08 0.88 0.34 0.37 1.06 0.00 0.00 176.91 179.48 1qsn h GLN 150 N 1.02 0.67 0.00 1.72 4.15 -0.23 -1.02 115.11 121.43 1qsn h GLN 150 Ca 0.23 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1qsn h GLN 150 Cb 0.24 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1qsn h GLN 150 CO -0.01 0.45 -0.25 0.87 -1.93 0.00 0.00 178.83 177.95 1qsn h LYS 151 N 0.70 0.00 -0.10 1.69 1.57 -0.78 -2.11 116.57 117.54 1qsn h LYS 151 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1qsn h LYS 151 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1qsn h LYS 151 CO -0.06 0.25 0.00 1.04 -0.57 0.00 0.00 179.45 180.10 1qsn n GLN 152 N -3.66 1.35 -2.98 3.15 1.13 -0.01 -4.90 117.38 111.46 1qsn n GLN 152 Ca -0.01 -0.54 -0.15 0.00 -1.94 0.00 0.00 57.00 54.36 1qsn n GLN 152 Cb 0.37 -1.29 0.04 0.00 0.11 0.00 0.00 30.24 29.47 1qsn n GLN 152 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1qsn n ASN 153 N -0.20 -4.63 -4.68 1.08 5.15 -0.79 -5.01 115.26 106.18 1qsn n ASN 153 Ca 0.13 -0.27 -0.35 0.00 -0.60 0.00 0.00 54.58 53.49 1qsn n ASN 153 Cb 0.18 -3.35 -0.09 0.00 -0.53 0.00 0.00 39.78 35.99 1qsn n ASN 153 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qsn s ILE 154 N -3.08 5.15 -0.11 -1.44 -1.09 -0.53 -4.81 121.20 115.29 1qsn s ILE 154 Ca 0.29 0.10 0.16 0.00 -2.23 0.00 0.00 60.65 58.97 1qsn s ILE 154 Cb -0.13 -3.35 -0.18 0.00 -1.58 0.00 0.00 42.46 37.23 1qsn s ILE 154 CO 0.35 0.43 0.70 1.21 -1.23 0.00 0.00 174.94 176.40 1qsn n GLU 155 N 3.67 0.63 -3.93 2.79 2.13 -0.33 -4.48 120.64 121.13 1qsn n GLU 155 Ca -0.16 0.20 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 1qsn n GLU 155 Cb 0.52 -1.76 -0.12 0.00 0.27 0.00 0.00 31.44 30.35 1qsn n GLU 155 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1qsn s TYR 156 N -2.84 0.14 -0.09 4.31 1.51 -1.11 -0.47 117.35 118.81 1qsn s TYR 156 Ca -0.04 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 1qsn s TYR 156 Cb 0.08 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 1qsn s TYR 156 CO 0.82 -0.14 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.48 1qsn s LEU 157 N -0.95 2.72 0.06 -1.29 1.43 -0.26 -1.25 118.68 119.15 1qsn s LEU 157 Ca -0.10 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1qsn s LEU 157 Cb -0.06 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1qsn s LEU 157 CO -0.00 0.25 -0.21 -0.76 0.23 0.00 0.00 176.35 175.85 1qsn s LEU 158 N -0.16 2.21 -0.20 1.79 1.43 0.11 -0.70 118.68 123.17 1qsn s LEU 158 Ca -0.01 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.31 1qsn s LEU 158 Cb -0.13 -0.97 0.06 0.00 0.03 0.00 0.00 46.19 45.17 1qsn s LEU 158 CO 0.03 0.14 0.59 0.28 0.23 0.00 0.00 176.35 177.62 1qsn s THR 159 N -0.91 0.00 0.23 5.49 -1.32 -0.12 -0.91 115.64 118.10 1qsn s THR 159 Ca 0.08 -0.02 -0.19 0.00 -1.21 0.00 0.00 61.69 60.34 1qsn s THR 159 Cb -0.09 -0.83 -0.08 0.00 -1.51 0.00 0.00 72.50 69.99 1qsn s THR 159 CO 0.03 -0.01 0.72 -0.31 -2.21 0.00 0.00 174.62 172.83 1qsn s TYR 160 N 0.10 3.61 0.05 9.09 1.51 -1.26 -0.43 117.35 130.02 1qsn s TYR 160 Ca -0.02 1.35 -0.01 0.00 -1.01 0.00 0.00 57.07 57.39 1qsn s TYR 160 Cb -0.04 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 1qsn s TYR 160 CO 0.02 0.31 -0.02 0.00 -1.11 0.00 0.00 175.55 174.75 1qsn s ALA 161 N -1.58 0.42 -0.03 3.71 0.00 -0.02 -4.93 121.76 119.32 1qsn s ALA 161 Ca 0.44 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 1qsn s ALA 161 Cb -0.16 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1qsn s ALA 161 CO 0.20 -0.35 0.34 0.34 0.00 0.00 0.00 175.76 176.30 1qsn s ASP 162 N -2.70 -0.25 0.83 0.00 3.68 -1.26 -2.23 116.67 114.74 1qsn s ASP 162 Ca 0.04 0.21 0.00 0.00 2.13 0.00 0.00 52.55 54.93 1qsn s ASP 162 Cb 0.05 0.38 0.00 0.00 -1.45 0.00 0.00 42.92 41.91 1qsn s ASP 162 CO -0.09 -0.42 0.00 0.59 0.13 0.00 0.00 175.17 175.38 1qsn n ASN 163 N 1.44 0.00 -0.31 -0.34 5.03 -1.26 -1.89 115.26 117.93 1qsn n ASN 163 Ca -0.20 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.27 1qsn n ASN 163 Cb 0.56 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 39.48 1qsn n ASN 163 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 1qsn h PHE 164 N 0.00 0.95 -0.50 3.10 -5.15 -2.02 -2.54 116.94 110.78 1qsn h PHE 164 Ca 0.00 0.03 0.15 0.00 -0.20 0.00 0.00 57.97 57.94 1qsn h PHE 164 Cb 0.00 -0.30 -0.02 0.00 0.22 0.00 0.00 35.95 35.85 1qsn h PHE 164 CO 0.00 0.44 0.50 0.00 -2.00 0.00 0.00 178.31 177.25 1qsn h ALA 165 N 1.43 2.26 0.01 12.09 0.00 -1.78 -0.42 119.26 132.85 1qsn h ALA 165 Ca 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1qsn h ALA 165 Cb 0.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qsn h ALA 165 CO -0.21 -0.76 -0.01 0.82 0.00 0.00 0.00 179.25 179.10 1qsn h ILE 166 N 0.00 1.21 -0.74 0.00 2.04 -1.56 -1.30 117.51 117.16 1qsn h ILE 166 Ca 0.24 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1qsn h ILE 166 Cb 1.23 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1qsn h ILE 166 CO -0.00 0.18 0.27 1.23 0.00 0.00 0.00 178.15 179.83 1qsn h GLY 167 N -0.31 1.20 0.82 5.37 0.00 -1.26 -2.15 103.07 106.74 1qsn h GLY 167 Ca -0.00 -0.67 0.03 0.00 0.00 0.00 0.00 47.33 46.69 1qsn h GLY 167 CO 0.00 0.63 0.20 -1.82 0.00 0.00 0.00 176.54 175.55 1qsn h TYR 168 N 1.09 0.38 0.00 5.60 3.20 -1.12 -2.56 116.97 123.55 1qsn h TYR 168 Ca 0.25 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 1qsn h TYR 168 Cb 0.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1qsn h TYR 168 CO 0.02 0.20 -0.47 0.74 -1.64 0.00 0.00 178.16 177.01 1qsn h PHE 169 N 0.41 0.00 -0.86 -3.82 -1.00 -1.07 -2.92 116.94 107.68 1qsn h PHE 169 Ca 0.17 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 1qsn h PHE 169 Cb 0.06 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 1qsn h PHE 169 CO -0.10 0.47 0.48 0.87 -1.61 0.00 0.00 178.31 178.42 1qsn h LYS 170 N 0.00 1.19 0.00 1.51 1.57 -0.99 -0.18 116.57 119.67 1qsn h LYS 170 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1qsn h LYS 170 Cb 0.91 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1qsn h LYS 170 CO 0.06 0.87 0.00 0.87 -0.57 0.00 0.00 179.45 180.68 1qsn h LYS 171 N 1.20 0.00 -0.52 3.15 6.56 -1.30 -2.09 116.57 123.56 1qsn h LYS 171 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1qsn h LYS 171 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1qsn h LYS 171 CO -0.05 0.00 0.00 1.04 -2.06 0.00 0.00 179.45 178.38 1qsn n GLN 172 N -3.07 2.26 -0.05 3.15 1.13 -0.20 -4.93 117.38 115.68 1qsn n GLN 172 Ca -0.00 -1.95 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 1qsn n GLN 172 Cb 0.25 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1qsn n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qsn n GLY 173 N 1.37 0.42 3.84 1.08 0.00 -0.79 -5.06 105.19 106.06 1qsn n GLY 173 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1qsn n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qsn s PHE 174 N -2.12 3.35 0.11 1.61 0.40 -0.50 -4.63 117.98 116.21 1qsn s PHE 174 Ca 0.00 1.36 0.04 0.00 -0.60 0.00 0.00 56.93 57.73 1qsn s PHE 174 Cb 0.00 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 1qsn s PHE 174 CO 0.00 0.01 -0.11 0.95 0.70 0.00 0.00 175.22 176.77 1qsn s THR 175 N -2.08 1.03 0.13 0.64 -4.23 -0.34 -4.02 115.64 106.77 1qsn s THR 175 Ca 0.57 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1qsn s THR 175 Cb -0.10 -1.48 -0.19 0.00 1.34 0.00 0.00 72.50 72.07 1qsn s THR 175 CO 0.16 -0.58 1.30 0.11 -0.54 0.00 0.00 174.62 175.07 1qsn h LYS 176 N 3.40 0.20 -6.52 3.99 1.57 -1.88 -1.85 116.57 115.49 1qsn h LYS 176 Ca -0.37 -0.26 -0.53 0.00 -1.87 0.00 0.00 60.65 57.62 1qsn h LYS 176 Cb 1.19 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1qsn h LYS 176 CO 0.55 1.04 0.37 -2.00 -0.57 0.00 0.00 179.45 178.84 1qsn s GLU 177 N -3.01 4.64 -0.06 3.15 2.12 -1.26 -4.86 118.70 119.43 1qsn s GLU 177 Ca -0.03 1.46 -0.02 0.00 0.36 0.00 0.00 54.97 56.74 1qsn s GLU 177 Cb 0.09 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1qsn s GLU 177 CO 0.84 0.11 0.07 -1.01 -0.54 0.00 0.00 175.26 174.73 1qsn s HIS 178 N 0.36 3.32 -0.39 5.30 3.76 -1.26 -4.80 115.29 121.58 1qsn s HIS 178 Ca 0.49 0.28 0.16 0.00 -0.15 0.00 0.00 55.06 55.84 1qsn s HIS 178 Cb -0.23 -1.80 -0.21 0.00 1.11 0.00 0.00 32.58 31.44 1qsn s HIS 178 CO 0.29 0.57 0.52 2.89 -0.85 0.00 0.00 174.74 178.16 1qsn n ARG 179 N 1.72 1.11 -2.75 1.40 1.85 -1.26 -4.93 116.66 113.81 1qsn n ARG 179 Ca -0.17 -0.08 -0.41 0.00 -1.00 0.00 0.00 57.85 56.20 1qsn n ARG 179 Cb 0.54 -1.32 -0.04 0.00 -1.05 0.00 0.00 32.46 30.58 1qsn n ARG 179 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1qsn s MET 180 N -2.82 4.65 -0.06 2.89 1.75 -1.26 -4.96 119.30 119.48 1qsn s MET 180 Ca -0.00 1.41 -0.35 0.00 -1.25 0.00 0.00 55.69 55.50 1qsn s MET 180 Cb 0.11 -3.40 -0.12 0.00 2.84 0.00 0.00 34.83 34.26 1qsn s MET 180 CO 0.67 0.16 1.81 -2.30 -0.65 0.00 0.00 175.02 174.71 1qsn n PRO 181 N 3.05 2.07 -0.26 4.11 -0.02 -1.26 -4.86 135.00 137.83 1qsn n PRO 181 Ca 0.03 0.76 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 1qsn n PRO 181 Cb 0.50 -2.58 0.19 0.00 -0.02 0.00 0.00 33.50 31.59 1qsn n PRO 181 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1qsn h GLN 182 N 8.46 0.16 0.00 -0.52 4.15 -1.96 0.25 115.11 125.65 1qsn h GLN 182 Ca -0.48 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1qsn h GLN 182 Cb 1.27 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1qsn h GLN 182 CO 0.94 0.10 0.00 -0.85 -1.93 0.00 0.00 178.83 177.09 1qsn n GLU 183 N -5.28 0.12 0.08 1.69 0.00 -1.26 -2.13 120.64 113.87 1qsn n GLU 183 Ca 0.15 0.02 -0.22 0.00 0.00 0.00 0.00 57.16 57.11 1qsn n GLU 183 Cb 0.51 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.30 1qsn n GLU 183 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1qsn h LYS 184 N 0.00 0.38 0.00 3.44 1.79 -0.86 -3.36 116.57 117.96 1qsn h LYS 184 Ca 0.00 -0.66 -0.13 0.00 -2.18 0.00 0.00 60.65 57.69 1qsn h LYS 184 Cb 0.00 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1qsn h LYS 184 CO 0.00 1.29 -1.73 -2.67 -1.08 0.00 0.00 179.45 175.26 1qsn n TRP 185 N -3.58 0.48 -1.67 -1.35 4.27 -0.92 -4.82 117.44 109.85 1qsn n TRP 185 Ca -0.21 0.15 -0.44 0.00 -3.89 0.00 0.00 57.50 53.12 1qsn n TRP 185 Cb 1.07 -0.86 -0.03 0.00 -1.36 0.00 0.00 31.31 30.13 1qsn n TRP 185 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 1qsn n LYS 186 N -2.62 2.71 0.00 -2.67 4.81 -0.90 -0.22 118.16 119.27 1qsn n LYS 186 Ca -0.11 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1qsn n LYS 186 Cb 0.77 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1qsn n LYS 186 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qsn n GLY 187 N 4.51 1.23 0.67 3.14 0.00 -1.26 -4.85 105.19 108.63 1qsn n GLY 187 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1qsn n GLY 187 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qsn n TYR 188 N -1.53 0.00 -3.83 1.61 4.02 0.70 -4.98 117.16 113.15 1qsn n TYR 188 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1qsn n TYR 188 Cb 0.00 -0.26 -0.10 0.00 -0.02 0.00 0.00 39.34 38.96 1qsn n TYR 188 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1qsn s ILE 189 N -2.13 5.02 0.35 -0.72 1.01 -0.05 -5.05 121.20 119.62 1qsn s ILE 189 Ca -0.10 0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.32 1qsn s ILE 189 Cb 0.04 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 1qsn s ILE 189 CO 0.13 0.41 1.37 1.17 0.00 0.00 0.00 174.94 178.02 1qsn n LYS 190 N 3.93 2.33 -3.40 2.79 4.81 -1.26 -4.67 118.16 122.68 1qsn n LYS 190 Ca -0.16 0.82 -0.45 0.00 -0.87 0.00 0.00 58.31 57.65 1qsn n LYS 190 Cb 0.52 -2.46 -0.05 0.00 0.02 0.00 0.00 35.03 33.06 1qsn n LYS 190 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1qsn s ASP 191 N -0.19 6.26 -0.15 3.14 3.68 -1.26 -5.05 116.67 123.10 1qsn s ASP 191 Ca 0.56 -2.33 -0.14 0.00 2.13 0.00 0.00 52.55 52.76 1qsn s ASP 191 Cb -0.54 -2.14 -0.05 0.00 -1.45 0.00 0.00 42.92 38.75 1qsn s ASP 191 CO 0.62 -0.65 0.32 -0.31 0.13 0.00 0.00 175.17 175.28 1qsn s TYR 192 N 0.73 3.48 0.02 -5.34 1.51 -1.26 -4.96 117.35 111.54 1qsn s TYR 192 Ca 0.12 0.65 0.22 0.00 -1.01 0.00 0.00 57.07 57.04 1qsn s TYR 192 Cb -0.20 -2.36 0.67 0.00 -0.11 0.00 0.00 41.96 39.96 1qsn s TYR 192 CO -0.04 0.26 1.72 -0.44 -1.11 0.00 0.00 175.55 175.94 1qsn h ASP 193 N 6.54 0.00 0.83 2.29 3.32 -2.05 -3.19 116.42 124.15 1qsn h ASP 193 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1qsn h ASP 193 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1qsn h ASP 193 CO 0.74 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.15 1qsn n GLY 194 N 0.48 -1.37 3.65 2.75 0.00 -1.26 -4.88 105.19 104.55 1qsn n GLY 194 Ca 0.01 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1qsn n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qsn s GLY 195 N -2.91 2.31 -0.35 -0.02 0.00 -1.21 -5.05 107.32 100.10 1qsn s GLY 195 Ca 0.15 -2.14 -0.11 0.00 0.00 0.00 0.00 44.72 42.63 1qsn s GLY 195 CO 0.47 -1.99 0.19 -1.59 0.00 0.00 0.00 173.10 170.18 1qsn s THR 196 N -2.62 4.65 -0.23 0.90 2.01 -0.95 -4.95 115.64 114.45 1qsn s THR 196 Ca 0.36 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 1qsn s THR 196 Cb 0.05 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1qsn s THR 196 CO 0.19 -0.09 0.97 -0.22 -0.69 0.00 0.00 174.62 174.78 1qsn s LEU 197 N 1.59 4.09 0.08 4.42 2.96 -1.26 -0.84 118.68 129.72 1qsn s LEU 197 Ca 0.03 1.26 0.08 0.00 -0.22 0.00 0.00 54.13 55.29 1qsn s LEU 197 Cb -0.18 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1qsn s LEU 197 CO 0.07 -0.62 -0.19 -0.04 -1.32 0.00 0.00 176.35 174.26 1qsn s MET 198 N 3.07 1.91 0.04 1.98 -1.94 0.43 -4.74 119.30 120.05 1qsn s MET 198 Ca 0.41 -1.09 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1qsn s MET 198 Cb -0.15 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 1qsn s MET 198 CO 0.06 0.51 -0.11 -1.83 -0.01 0.00 0.00 175.02 173.64 1qsn s GLU 199 N -1.78 0.73 -0.17 2.03 -1.05 -0.69 -0.94 118.70 116.82 1qsn s GLU 199 Ca 0.16 -0.71 0.01 0.00 -0.15 0.00 0.00 54.97 54.28 1qsn s GLU 199 Cb -0.10 -0.67 0.03 0.00 -0.44 0.00 0.00 34.13 32.94 1qsn s GLU 199 CO 0.07 0.16 -0.14 0.00 0.95 0.00 0.00 175.26 176.30 1qsn s TYR 201 N 1.41 3.59 -0.52 0.00 5.04 -1.26 -1.10 117.35 124.50 1qsn s TYR 201 Ca 0.03 1.56 -0.05 0.00 -2.44 0.00 0.00 57.07 56.17 1qsn s TYR 201 Cb -0.14 -3.27 0.14 0.00 0.35 0.00 0.00 41.96 39.04 1qsn s TYR 201 CO -0.10 -0.62 0.36 0.42 -1.34 0.00 0.00 175.55 174.26 1qsn s ILE 202 N 0.17 3.82 0.24 3.14 -1.09 0.39 -4.96 121.20 122.90 1qsn s ILE 202 Ca 0.51 -2.32 -0.30 0.00 -2.23 0.00 0.00 60.65 56.32 1qsn s ILE 202 Cb -0.28 -3.52 -0.09 0.00 -1.58 0.00 0.00 42.46 36.98 1qsn s ILE 202 CO 0.33 -0.80 1.33 -2.28 -1.23 0.00 0.00 174.94 172.28 1qsn s HIS 203 N 0.73 3.18 0.60 3.97 5.65 -1.26 -4.64 115.29 123.52 1qsn s HIS 203 Ca 0.11 1.24 0.28 0.00 0.25 0.00 0.00 55.06 56.95 1qsn s HIS 203 Cb -0.22 -3.65 1.36 0.00 -1.18 0.00 0.00 32.58 28.90 1qsn s HIS 203 CO -0.03 -1.97 1.77 -1.00 -0.65 0.00 0.00 174.74 172.85 1qsn h PRO 204 N 4.84 0.00 -0.38 2.88 0.13 -1.96 -3.13 132.00 134.37 1qsn h PRO 204 Ca -0.46 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.44 1qsn h PRO 204 Cb 1.22 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.97 1qsn h PRO 204 CO 0.74 0.00 -1.03 2.48 -0.23 0.00 0.00 178.00 179.97 1qsn n TYR 205 N -3.55 0.88 -3.78 1.56 0.18 -1.26 -5.05 117.16 106.15 1qsn n TYR 205 Ca 0.11 -2.07 -0.35 0.00 1.88 0.00 0.00 57.90 57.47 1qsn n TYR 205 Cb 0.84 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.71 1qsn n TYR 205 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1qsn s VAL 206 N -3.33 5.33 -0.46 -3.48 1.01 -1.19 -5.05 120.40 113.23 1qsn s VAL 206 Ca 0.25 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 1qsn s VAL 206 Cb 0.33 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1qsn s VAL 206 CO -0.05 0.40 0.61 -0.62 0.00 0.00 0.00 175.10 175.44 1qsn s ASP 207 N -1.62 6.27 -0.01 3.32 -1.08 -1.26 -4.95 116.67 117.35 1qsn s ASP 207 Ca 0.26 -0.56 -0.05 0.00 -0.52 0.00 0.00 52.55 51.68 1qsn s ASP 207 Cb -0.13 -2.30 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 1qsn s ASP 207 CO 0.15 -0.79 0.22 -0.31 0.52 0.00 0.00 175.17 174.96 1qsn s TYR 208 N 2.68 3.57 0.00 -5.34 1.51 -1.26 -4.98 117.35 113.53 1qsn s TYR 208 Ca 0.19 0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 1qsn s TYR 208 Cb -0.16 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1qsn s TYR 208 CO 0.16 0.64 0.00 0.41 -1.11 0.00 0.00 175.55 175.65 1qsn n GLY 209 N 1.11 -2.50 0.00 0.71 0.00 -1.25 -4.59 105.19 98.68 1qsn n GLY 209 Ca -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1qsn n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86