#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwx s GLN 3 N 0.00 3.82 -0.19 -0.72 -0.21 -0.61 -4.97 119.66 116.79 1qwx s GLN 3 Ca 0.00 0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.45 1qwx s GLN 3 Cb 0.00 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1qwx s GLN 3 CO 0.00 0.60 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.47 1qwx s LEU 4 N -0.61 2.56 -0.14 2.90 2.96 -1.26 -0.59 118.68 124.50 1qwx s LEU 4 Ca 0.18 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1qwx s LEU 4 Cb -0.14 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1qwx s LEU 4 CO 0.06 0.03 0.01 -1.58 -1.32 0.00 0.00 176.35 173.55 1qwx s GLN 5 N 1.18 3.52 -0.13 1.98 0.74 -0.23 -4.98 119.66 121.73 1qwx s GLN 5 Ca 0.02 -0.41 -0.14 0.00 0.05 0.00 0.00 55.36 54.87 1qwx s GLN 5 Cb -0.14 -2.97 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 1qwx s GLN 5 CO -0.05 0.43 0.32 -0.06 -0.55 0.00 0.00 175.29 175.38 1qwx s PHE 6 N -0.12 3.52 -0.32 1.67 0.40 -1.26 -0.91 117.98 120.96 1qwx s PHE 6 Ca 0.05 0.68 0.03 0.00 -0.60 0.00 0.00 56.93 57.09 1qwx s PHE 6 Cb -0.13 -2.32 0.09 0.00 0.51 0.00 0.00 43.02 41.17 1qwx s PHE 6 CO 0.02 0.33 0.01 0.42 0.70 0.00 0.00 175.22 176.70 1qwx s ILE 7 N 0.14 2.31 -0.55 0.64 1.01 0.23 -4.86 121.20 120.14 1qwx s ILE 7 Ca 0.18 -2.12 -0.17 0.00 0.00 0.00 0.00 60.65 58.55 1qwx s ILE 7 Cb -0.14 -2.60 0.12 0.00 0.01 0.00 0.00 42.46 39.85 1qwx s ILE 7 CO 0.06 -0.43 0.53 0.20 0.00 0.00 0.00 174.94 175.30 1qwx s ASN 8 N 1.01 6.19 0.01 3.58 0.01 -0.37 -1.48 114.94 123.88 1qwx s ASN 8 Ca 0.05 -1.70 -0.30 0.00 -0.71 0.00 0.00 52.86 50.20 1qwx s ASN 8 Cb -0.19 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 1qwx s ASN 8 CO -0.07 -0.89 1.30 -0.76 -1.51 0.00 0.00 177.10 175.17 1qwx s LEU 9 N 1.80 4.32 -0.22 0.60 1.43 -0.04 -1.02 118.68 125.55 1qwx s LEU 9 Ca 0.05 2.02 -0.04 0.00 -1.03 0.00 0.00 54.13 55.13 1qwx s LEU 9 Cb -0.29 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 1qwx s LEU 9 CO 0.04 -0.62 -0.04 -0.69 0.23 0.00 0.00 176.35 175.27 1qwx s VAL 10 N 1.96 3.40 -0.08 -1.59 1.01 -0.32 -0.36 120.40 124.43 1qwx s VAL 10 Ca 0.60 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1qwx s VAL 10 Cb -0.29 -2.55 0.10 0.00 0.00 0.00 0.00 36.38 33.63 1qwx s VAL 10 CO 0.26 0.42 0.84 -0.72 0.00 0.00 0.00 175.10 175.90 1qwx s TYR 11 N 1.47 -0.48 -0.47 5.22 1.13 -1.26 -4.40 117.35 118.56 1qwx s TYR 11 Ca 0.06 0.74 -0.24 0.00 -1.41 0.00 0.00 57.07 56.22 1qwx s TYR 11 Cb -0.14 0.45 0.03 0.00 -1.10 0.00 0.00 41.96 41.20 1qwx s TYR 11 CO -0.03 -0.50 0.84 0.34 -2.51 0.00 0.00 175.55 173.69 1qwx s ASP 12 N -1.43 6.42 0.51 -0.18 -1.08 -1.26 -4.91 116.67 114.74 1qwx s ASP 12 Ca -0.04 -0.10 0.32 0.00 -0.52 0.00 0.00 52.55 52.21 1qwx s ASP 12 Cb -0.00 -2.41 1.27 0.00 -1.46 0.00 0.00 42.92 40.32 1qwx s ASP 12 CO 0.02 -0.99 1.94 0.00 0.52 0.00 0.00 175.17 176.65 1qwx h THR 13 N 6.01 0.00 0.00 1.71 1.03 -1.99 -2.54 112.91 117.13 1qwx h THR 13 Ca -0.25 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 65.65 1qwx h THR 13 Cb 1.08 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 1qwx h THR 13 CO 1.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 176.86 1qwx n THR 14 N -2.99 1.11 1.04 0.00 -2.24 -1.26 -1.98 114.28 107.96 1qwx n THR 14 Ca 0.01 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 1qwx n THR 14 Cb 0.31 -1.06 0.12 0.00 -2.10 0.00 0.00 70.33 67.60 1qwx n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qwx n LYS 15 N -1.49 2.01 -3.61 -0.78 4.76 -0.95 -4.96 118.16 113.13 1qwx n LYS 15 Ca 0.03 -1.63 -0.30 0.00 -2.87 0.00 0.00 58.31 53.54 1qwx n LYS 15 Cb 0.15 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 1qwx n LYS 15 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qwx s LEU 16 N -2.11 4.22 0.89 -0.35 1.43 -0.84 -5.09 118.68 116.83 1qwx s LEU 16 Ca 0.27 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 1qwx s LEU 16 Cb 0.20 -3.35 0.13 0.00 0.03 0.00 0.00 46.19 43.19 1qwx s LEU 16 CO 0.37 -0.01 1.10 0.42 0.23 0.00 0.00 176.35 178.45 1qwx s THR 17 N -1.77 2.60 0.21 5.49 -4.23 -1.26 -4.87 115.64 111.81 1qwx s THR 17 Ca 0.42 0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1qwx s THR 17 Cb -0.12 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.10 1qwx s THR 17 CO 0.26 -0.25 1.86 0.45 -0.54 0.00 0.00 174.62 176.39 1qwx h HIS 18 N -1.49 0.86 -0.33 3.99 -0.00 -1.98 -1.30 115.15 114.89 1qwx h HIS 18 Ca -0.50 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 59.78 1qwx h HIS 18 Cb 1.29 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.40 1qwx h HIS 18 CO 0.40 0.51 -0.25 1.25 -0.00 0.00 0.00 177.93 179.85 1qwx h LEU 19 N 0.91 0.67 -0.89 2.43 5.85 -1.99 -1.01 115.31 121.28 1qwx h LEU 19 Ca 0.27 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1qwx h LEU 19 Cb -0.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1qwx h LEU 19 CO -0.09 0.89 0.48 -0.33 -0.34 0.00 0.00 178.44 179.05 1qwx h GLU 20 N 0.57 1.24 -0.26 1.25 5.08 -1.84 -0.96 114.58 119.66 1qwx h GLU 20 Ca 0.08 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1qwx h GLU 20 Cb 0.72 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1qwx h GLU 20 CO 0.06 0.92 0.01 1.96 -1.00 0.00 0.00 179.01 180.95 1qwx h GLN 21 N 1.24 0.45 -0.35 2.33 4.20 -0.91 -1.45 115.11 120.63 1qwx h GLN 21 Ca 0.31 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1qwx h GLN 21 Cb 0.04 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1qwx h GLN 21 CO -0.05 0.61 -0.04 1.79 -0.67 0.00 0.00 178.83 180.47 1qwx h THR 22 N 0.24 1.21 -0.20 -0.54 1.35 -0.92 -1.43 112.91 112.62 1qwx h THR 22 Ca 0.08 -0.89 -0.03 0.00 -0.55 0.00 0.00 66.41 65.01 1qwx h THR 22 Cb 0.39 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1qwx h THR 22 CO 0.01 0.30 -0.00 -1.13 -0.25 0.00 0.00 175.52 174.45 1qwx h ASN 23 N 0.53 0.35 -0.84 5.36 -0.73 -0.93 -2.51 115.58 116.81 1qwx h ASN 23 Ca 0.11 -0.31 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 1qwx h ASN 23 Cb 0.40 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 38.85 1qwx h ASN 23 CO 0.02 0.58 0.49 0.40 -0.37 0.00 0.00 177.43 178.54 1qwx h ILE 24 N 0.11 1.24 0.00 2.57 2.04 -1.10 -2.74 117.51 119.63 1qwx h ILE 24 Ca 0.06 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1qwx h ILE 24 Cb 0.40 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1qwx h ILE 24 CO 0.01 0.26 -0.02 0.78 0.00 0.00 0.00 178.15 179.17 1qwx h ASN 25 N 1.16 0.00 -0.24 1.72 2.35 -0.93 -1.69 115.58 117.95 1qwx h ASN 25 Ca 0.30 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.12 1qwx h ASN 25 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1qwx h ASN 25 CO -0.05 0.02 0.19 -0.07 -1.65 0.00 0.00 177.43 175.87 1qwx h LEU 26 N 0.00 0.00 -7.74 1.61 3.38 -1.13 -3.47 115.31 107.96 1qwx h LEU 26 Ca -0.00 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.21 1qwx h LEU 26 Cb 0.19 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.72 1qwx h LEU 26 CO 0.00 0.00 0.77 -0.36 0.09 0.00 0.00 178.44 178.94 1qwx s PHE 27 N -4.89 3.72 0.00 1.13 0.40 -0.64 -5.04 117.98 112.66 1qwx s PHE 27 Ca -0.05 -2.15 0.00 0.00 -0.60 0.00 0.00 56.93 54.13 1qwx s PHE 27 Cb 0.17 -4.08 0.00 0.00 0.51 0.00 0.00 43.02 39.62 1qwx s PHE 27 CO 0.64 -1.21 0.00 0.41 0.70 0.00 0.00 175.22 175.77 1qwx n GLY 29 N 3.90 -1.80 3.33 4.36 0.00 -0.49 -4.70 105.19 109.78 1qwx n GLY 29 Ca 0.27 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1qwx n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qwx s ASN 30 N -4.00 3.89 0.03 1.61 0.01 -1.26 -0.51 114.94 114.70 1qwx s ASN 30 Ca 0.00 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 51.79 1qwx s ASN 30 Cb 0.00 -1.60 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 1qwx s ASN 30 CO 0.00 0.13 -0.07 0.26 -1.51 0.00 0.00 177.10 175.91 1qwx s TRP 31 N 0.54 0.63 0.03 2.20 0.52 -0.30 -0.12 118.94 122.45 1qwx s TRP 31 Ca -0.09 -0.38 -0.01 0.00 0.02 0.00 0.00 56.10 55.64 1qwx s TRP 31 Cb -0.16 -0.38 -0.03 0.00 -1.15 0.00 0.00 33.47 31.76 1qwx s TRP 31 CO 0.04 -0.06 -0.00 -1.54 0.02 0.00 0.00 176.95 175.41 1qwx s SER 32 N -1.15 0.31 -0.17 2.95 1.04 0.47 -0.55 113.70 116.60 1qwx s SER 32 Ca -0.06 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1qwx s SER 32 Cb -0.08 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1qwx s SER 32 CO 0.00 -0.44 -0.14 0.21 0.98 0.00 0.00 173.24 173.85 1qwx s ASN 33 N -2.09 2.94 0.15 7.02 3.84 0.10 -0.67 114.94 126.23 1qwx s ASN 33 Ca -0.06 -0.62 -0.15 0.00 0.21 0.00 0.00 52.86 52.24 1qwx s ASN 33 Cb -0.02 -1.25 0.02 0.00 -0.55 0.00 0.00 41.25 39.45 1qwx s ASN 33 CO -0.05 -0.07 1.73 0.45 -2.79 0.00 0.00 177.10 176.37 1qwx h HIS 34 N 8.01 0.64 -0.10 0.43 3.86 -1.89 -1.60 115.15 124.50 1qwx h HIS 34 Ca -0.37 -0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 58.66 1qwx h HIS 34 Cb 1.13 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 1qwx h HIS 34 CO 0.48 0.52 -0.58 1.96 0.86 0.00 0.00 177.93 181.17 1qwx h GLN 35 N 0.58 0.32 0.00 2.45 4.20 -1.96 -2.84 115.11 117.87 1qwx h GLN 35 Ca 0.15 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1qwx h GLN 35 Cb 0.11 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1qwx h GLN 35 CO -0.02 0.81 -0.34 1.28 -0.67 0.00 0.00 178.83 179.89 1qwx n LEU 36 N -3.91 0.41 -3.91 1.46 4.77 -1.18 -4.95 117.00 109.69 1qwx n LEU 36 Ca -0.03 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.92 1qwx n LEU 36 Cb 0.60 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1qwx n LEU 36 CO 0.45 0.04 -0.12 0.00 -1.33 0.00 0.00 177.39 176.43 1qwx n GLN 37 N -1.65 -4.01 -4.48 3.23 6.02 -0.63 -4.92 117.38 110.95 1qwx n GLN 37 Ca 0.06 0.48 -0.21 0.00 -0.01 0.00 0.00 57.00 57.32 1qwx n GLN 37 Cb 0.36 -4.89 -0.15 0.00 1.02 0.00 0.00 30.24 26.57 1qwx n GLN 37 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qwx s LYS 38 N -6.45 1.00 0.12 -1.09 2.47 -1.06 -1.57 119.74 113.16 1qwx s LYS 38 Ca 0.17 -0.38 0.08 0.00 -1.56 0.00 0.00 55.97 54.28 1qwx s LYS 38 Cb -0.09 -0.94 -0.04 0.00 -1.46 0.00 0.00 37.83 35.30 1qwx s LYS 38 CO 0.86 0.19 -0.20 0.45 0.16 0.00 0.00 175.35 176.82 1qwx s SER 39 N -0.05 2.53 -0.03 1.43 0.15 0.24 -0.72 113.70 117.25 1qwx s SER 39 Ca 0.01 -0.74 0.05 0.00 0.70 0.00 0.00 55.95 55.97 1qwx s SER 39 Cb -0.07 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1qwx s SER 39 CO 0.00 0.02 -0.19 0.27 1.20 0.00 0.00 173.24 174.54 1qwx s ILE 40 N -1.47 1.52 -0.28 6.45 -4.36 0.29 -1.06 121.20 122.28 1qwx s ILE 40 Ca 0.09 -0.79 -0.03 0.00 -0.26 0.00 0.00 60.65 59.66 1qwx s ILE 40 Cb -0.09 -1.29 0.03 0.00 1.25 0.00 0.00 42.46 42.37 1qwx s ILE 40 CO 0.05 0.43 0.00 0.00 0.24 0.00 0.00 174.94 175.66 1qwx s ILE 42 N 1.34 4.50 0.09 0.00 1.01 0.33 -0.60 121.20 127.87 1qwx s ILE 42 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1qwx s ILE 42 Cb -0.18 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1qwx s ILE 42 CO -0.01 0.33 0.01 -0.13 0.00 0.00 0.00 174.94 175.14 1qwx s ARG 43 N 1.55 0.77 -0.44 2.79 0.52 -0.55 -1.40 118.95 122.19 1qwx s ARG 43 Ca 0.06 -1.33 -0.22 0.00 -0.52 0.00 0.00 55.73 53.72 1qwx s ARG 43 Cb -0.15 0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.57 1qwx s ARG 43 CO 0.05 -0.19 0.71 -1.58 0.02 0.00 0.00 175.30 174.31 1qwx s HIS 44 N -3.98 3.04 0.00 -0.53 5.65 -1.26 -0.86 115.29 117.34 1qwx s HIS 44 Ca 0.16 0.06 0.00 0.00 0.25 0.00 0.00 55.06 55.53 1qwx s HIS 44 Cb 0.08 -3.48 0.00 0.00 -1.18 0.00 0.00 32.58 27.99 1qwx s HIS 44 CO -0.04 -0.91 0.00 0.41 -0.65 0.00 0.00 174.74 173.55 1qwx n GLY 45 N 4.99 1.15 0.72 1.59 0.00 0.51 -4.89 105.19 109.26 1qwx n GLY 45 Ca 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 1qwx n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qwx n ASP 46 N 0.00 -0.25 0.28 1.61 3.85 -1.26 -4.68 116.55 116.10 1qwx n ASP 46 Ca 0.00 -1.43 0.14 0.00 -0.71 0.00 0.00 54.79 52.79 1qwx n ASP 46 Cb 0.00 0.49 0.82 0.00 -1.35 0.00 0.00 41.12 41.08 1qwx n ASP 46 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1qwx h ASP 47 N 0.43 0.00 -0.24 -1.12 3.45 -2.00 -1.85 116.42 115.10 1qwx h ASP 47 Ca -0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1qwx h ASP 47 Cb 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1qwx h ASP 47 CO 0.08 0.07 0.00 0.35 -1.57 0.00 0.00 179.24 178.17 1qwx n THR 48 N -3.63 0.54 -1.47 0.35 -2.24 -1.26 -5.02 114.28 101.55 1qwx n THR 48 Ca -0.02 -0.77 -0.35 0.00 -2.27 0.00 0.00 64.05 60.64 1qwx n THR 48 Cb 0.18 0.86 0.09 0.00 -2.10 0.00 0.00 70.33 69.37 1qwx n THR 48 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1qwx s SER 49 N -1.07 4.24 0.78 3.42 0.01 -0.70 -5.05 113.70 115.33 1qwx s SER 49 Ca 0.23 2.39 -0.09 0.00 1.31 0.00 0.00 55.95 59.79 1qwx s SER 49 Cb 0.13 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.86 1qwx s SER 49 CO 0.18 -2.24 1.11 -1.00 0.41 0.00 0.00 173.24 171.71 1qwx s HIS 50 N -1.91 2.61 -1.41 2.43 3.76 -1.26 -4.50 115.29 115.02 1qwx s HIS 50 Ca 0.75 0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 56.09 1qwx s HIS 50 Cb -0.30 -3.42 0.03 0.00 1.11 0.00 0.00 32.58 29.99 1qwx s HIS 50 CO 0.45 -1.74 0.66 0.09 -0.85 0.00 0.00 174.74 173.34 1qwx n ASN 51 N -3.17 -1.64 -4.78 1.40 4.13 -1.26 -4.64 115.26 105.30 1qwx n ASN 51 Ca 0.10 -0.89 -0.39 0.00 1.68 0.00 0.00 54.58 55.08 1qwx n ASN 51 Cb 0.60 -3.60 -0.06 0.00 -1.54 0.00 0.00 39.78 35.19 1qwx n ASN 51 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1qwx s GLN 52 N -6.35 4.39 -0.01 3.52 -0.21 -1.26 -1.24 119.66 118.51 1qwx s GLN 52 Ca 0.17 0.93 0.05 0.00 0.02 0.00 0.00 55.36 56.52 1qwx s GLN 52 Cb -0.09 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.62 1qwx s GLN 52 CO 0.85 0.50 -0.15 0.71 -2.12 0.00 0.00 175.29 175.08 1qwx s TYR 53 N -0.76 1.33 -0.15 0.91 1.51 -0.19 -1.42 117.35 118.59 1qwx s TYR 53 Ca 0.33 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 56.05 1qwx s TYR 53 Cb -0.21 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1qwx s TYR 53 CO 0.22 -0.02 0.12 -1.58 -1.11 0.00 0.00 175.55 173.18 1qwx s HIS 54 N -0.39 3.48 -0.09 2.71 5.65 0.24 -1.17 115.29 125.72 1qwx s HIS 54 Ca 0.05 0.41 -0.25 0.00 0.25 0.00 0.00 55.06 55.52 1qwx s HIS 54 Cb -0.06 -2.01 -0.03 0.00 -1.18 0.00 0.00 32.58 29.30 1qwx s HIS 54 CO -0.00 0.53 0.78 0.42 -0.65 0.00 0.00 174.74 175.82 1qwx s ILE 55 N -0.46 4.97 -0.11 0.89 1.01 -1.26 -1.31 121.20 124.93 1qwx s ILE 55 Ca 0.12 1.59 0.08 0.00 0.00 0.00 0.00 60.65 62.43 1qwx s ILE 55 Cb -0.12 -4.11 -0.24 0.00 0.01 0.00 0.00 42.46 38.01 1qwx s ILE 55 CO 0.02 0.17 0.40 0.18 0.00 0.00 0.00 174.94 175.70 1qwx n LEU 56 N 4.25 1.35 -3.64 2.97 4.77 0.99 -4.96 117.00 122.73 1qwx n LEU 56 Ca 0.01 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1qwx n LEU 56 Cb 0.50 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1qwx n LEU 56 CO 0.48 0.58 0.38 0.12 -1.33 0.00 0.00 177.39 177.62 1qwx s PHE 57 N -2.56 -0.93 -0.34 -1.77 5.36 -1.08 -4.98 117.98 111.68 1qwx s PHE 57 Ca -0.13 2.03 -0.05 0.00 -0.96 0.00 0.00 56.93 57.83 1qwx s PHE 57 Cb 0.07 0.46 0.06 0.00 -0.34 0.00 0.00 43.02 43.27 1qwx s PHE 57 CO 0.79 -0.46 0.10 0.42 -1.46 0.00 0.00 175.22 174.61 1qwx s ILE 58 N 1.02 3.49 -0.78 3.12 1.01 -1.26 -1.23 121.20 126.58 1qwx s ILE 58 Ca -0.05 -1.36 -0.17 0.00 0.00 0.00 0.00 60.65 59.06 1qwx s ILE 58 Cb -0.05 -3.06 0.15 0.00 0.01 0.00 0.00 42.46 39.51 1qwx s ILE 58 CO -0.10 -0.25 0.86 -0.62 0.00 0.00 0.00 174.94 174.83 1qwx s ASP 59 N 1.48 6.51 0.41 3.58 3.68 0.10 -4.88 116.67 127.54 1qwx s ASP 59 Ca -0.01 -2.03 0.22 0.00 2.13 0.00 0.00 52.55 52.86 1qwx s ASP 59 Cb -0.20 -2.31 0.43 0.00 -1.45 0.00 0.00 42.92 39.39 1qwx s ASP 59 CO 0.01 -0.93 1.63 0.71 0.13 0.00 0.00 175.17 176.71 1qwx h THR 60 N 5.54 0.28 -0.20 1.71 1.35 -1.94 -0.36 112.91 119.29 1qwx h THR 60 Ca -0.02 -1.28 -0.14 0.00 -0.55 0.00 0.00 66.41 64.42 1qwx h THR 60 Cb 1.05 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 1qwx h THR 60 CO 0.99 0.15 -0.46 0.00 -0.25 0.00 0.00 175.52 175.95 1qwx h ALA 61 N 1.84 0.83 -0.04 6.62 0.00 -1.96 -3.31 119.26 123.25 1qwx h ALA 61 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qwx h ALA 61 Cb 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1qwx h ALA 61 CO 0.02 0.66 0.00 0.72 0.00 0.00 0.00 179.25 180.65 1qwx n HIS 62 N -4.00 0.05 -3.45 0.00 8.25 -1.21 -5.03 115.22 109.83 1qwx n HIS 62 Ca -0.02 -0.41 -0.20 0.00 -0.26 0.00 0.00 57.72 56.83 1qwx n HIS 62 Cb 0.55 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.66 1qwx n HIS 62 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1qwx n GLN 63 N -0.28 -1.55 -4.11 -0.41 6.02 -0.22 -4.69 117.38 112.14 1qwx n GLN 63 Ca 0.01 0.81 -0.11 0.00 -0.01 0.00 0.00 57.00 57.70 1qwx n GLN 63 Cb 0.23 -4.75 -0.11 0.00 1.02 0.00 0.00 30.24 26.63 1qwx n GLN 63 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1qwx s ARG 64 N -4.84 0.68 0.09 -1.09 0.52 -0.74 -1.22 118.95 112.35 1qwx s ARG 64 Ca 0.33 -1.08 0.06 0.00 -0.52 0.00 0.00 55.73 54.52 1qwx s ARG 64 Cb -0.09 -0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.15 1qwx s ARG 64 CO 0.81 -0.00 -0.15 0.96 0.02 0.00 0.00 175.30 176.94 1qwx s ILE 65 N -2.70 1.24 0.02 1.52 -4.36 -0.73 -0.73 121.20 115.47 1qwx s ILE 65 Ca 0.02 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 58.99 1qwx s ILE 65 Cb -0.01 -1.28 -0.02 0.00 1.25 0.00 0.00 42.46 42.40 1qwx s ILE 65 CO -0.03 -0.28 -0.18 -0.54 0.24 0.00 0.00 174.94 174.15 1qwx s LYS 66 N -2.10 1.28 0.18 0.37 1.02 -0.36 -1.01 119.74 119.11 1qwx s LYS 66 Ca 0.03 -0.77 -0.23 0.00 0.02 0.00 0.00 55.97 55.02 1qwx s LYS 66 Cb -0.08 -1.31 0.06 0.00 -0.52 0.00 0.00 37.83 35.98 1qwx s LYS 66 CO 0.03 0.34 0.62 -0.59 -0.92 0.00 0.00 175.35 174.83 1qwx s PHE 67 N -0.66 -0.49 0.04 3.18 -0.12 -0.40 -0.01 117.98 119.52 1qwx s PHE 67 Ca 0.06 0.24 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 1qwx s PHE 67 Cb -0.08 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1qwx s PHE 67 CO 0.01 -0.91 -0.04 -1.54 -0.05 0.00 0.00 175.22 172.69 1qwx s SER 68 N -2.78 0.47 0.43 1.98 1.04 -0.43 -0.40 113.70 114.02 1qwx s SER 68 Ca 0.03 -0.67 -0.25 0.00 0.48 0.00 0.00 55.95 55.53 1qwx s SER 68 Cb -0.02 0.11 -0.08 0.00 0.10 0.00 0.00 66.02 66.13 1qwx s SER 68 CO -0.10 -0.37 1.33 -0.55 0.98 0.00 0.00 173.24 174.53 1qwx s SER 69 N -1.95 6.12 0.60 7.02 0.15 -1.25 -0.59 113.70 123.79 1qwx s SER 69 Ca -0.07 2.70 0.36 0.00 0.70 0.00 0.00 55.95 59.64 1qwx s SER 69 Cb -0.04 -2.64 1.90 0.00 -1.71 0.00 0.00 66.02 63.53 1qwx s SER 69 CO -0.03 -0.98 2.21 0.16 1.20 0.00 0.00 173.24 175.79 1qwx h ILE 70 N 2.31 0.20 -0.00 6.45 3.07 -1.58 -2.29 117.51 125.67 1qwx h ILE 70 Ca -0.50 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1qwx h ILE 70 Cb 1.25 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1qwx h ILE 70 CO 0.62 0.03 -0.26 0.47 -1.05 0.00 0.00 178.15 177.96 1qwx n ASP 71 N -3.31 0.48 -3.23 2.16 10.43 -1.26 -4.70 116.55 117.12 1qwx n ASP 71 Ca -0.02 -0.29 -0.02 0.00 2.57 0.00 0.00 54.79 57.03 1qwx n ASP 71 Cb 0.16 -0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.10 1qwx n ASP 71 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1qwx s ASN 72 N -2.78 -0.94 0.16 -2.24 2.47 -0.86 -5.00 114.94 105.74 1qwx s ASN 72 Ca 0.19 -0.64 0.21 0.00 0.42 0.00 0.00 52.86 53.04 1qwx s ASN 72 Cb 0.19 1.68 0.87 0.00 -1.45 0.00 0.00 41.25 42.53 1qwx s ASN 72 CO 0.58 -0.23 1.65 -1.84 -3.72 0.00 0.00 177.10 173.54 1qwx n GLU 73 N 4.72 0.13 -0.02 0.43 0.28 -1.25 -3.50 120.64 121.42 1qwx n GLU 73 Ca 0.09 0.32 -0.10 0.00 -0.16 0.00 0.00 57.16 57.31 1qwx n GLU 73 Cb 0.54 -1.73 0.04 0.00 1.43 0.00 0.00 31.44 31.72 1qwx n GLU 73 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1qwx h GLU 74 N 0.00 0.64 -5.46 3.44 4.57 -1.94 -3.42 114.58 112.40 1qwx h GLU 74 Ca 0.00 -0.39 -0.60 0.00 -1.18 0.00 0.00 59.36 57.19 1qwx h GLU 74 Cb 0.37 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.89 1qwx h GLU 74 CO 0.00 1.00 -0.17 0.42 -1.18 0.00 0.00 179.01 179.08 1qwx s ILE 75 N -4.07 5.19 -0.13 2.32 1.01 -1.23 -1.01 121.20 123.28 1qwx s ILE 75 Ca -0.08 0.76 -0.02 0.00 0.00 0.00 0.00 60.65 61.31 1qwx s ILE 75 Cb 0.11 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1qwx s ILE 75 CO 0.85 0.25 -0.05 -0.63 0.00 0.00 0.00 174.94 175.36 1qwx s ILE 76 N 1.29 3.82 -0.15 2.92 1.01 -0.62 -4.40 121.20 125.08 1qwx s ILE 76 Ca 0.20 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 1qwx s ILE 76 Cb -0.15 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1qwx s ILE 76 CO 0.08 0.53 0.04 -0.31 0.00 0.00 0.00 174.94 175.29 1qwx s TYR 77 N -0.01 3.24 -0.13 3.97 2.02 0.47 -0.24 117.35 126.66 1qwx s TYR 77 Ca 0.00 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 1qwx s TYR 77 Cb -0.13 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1qwx s TYR 77 CO 0.03 0.27 -0.19 0.42 -1.57 0.00 0.00 175.55 174.51 1qwx s ILE 78 N -0.08 2.47 -0.13 2.71 1.09 0.16 -1.28 121.20 126.14 1qwx s ILE 78 Ca 0.06 -0.86 -0.01 0.00 -1.10 0.00 0.00 60.65 58.74 1qwx s ILE 78 Cb -0.12 -2.01 -0.02 0.00 -1.06 0.00 0.00 42.46 39.25 1qwx s ILE 78 CO 0.01 0.54 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.54 1qwx s LEU 79 N 0.55 2.97 -0.17 2.97 1.43 -0.18 -0.87 118.68 125.39 1qwx s LEU 79 Ca -0.11 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1qwx s LEU 79 Cb -0.16 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1qwx s LEU 79 CO 0.04 0.20 -0.09 -1.81 0.23 0.00 0.00 176.35 174.92 1qwx s ASP 80 N 0.18 4.19 0.25 2.29 1.01 0.22 -1.77 116.67 123.05 1qwx s ASP 80 Ca -0.05 -0.33 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 1qwx s ASP 80 Cb -0.14 -1.68 -0.09 0.00 1.01 0.00 0.00 42.92 42.02 1qwx s ASP 80 CO 0.04 0.09 1.18 -0.47 0.21 0.00 0.00 175.17 176.23 1qwx s TYR 81 N 0.79 3.41 0.00 4.23 5.04 -0.35 -0.64 117.35 129.83 1qwx s TYR 81 Ca -0.03 1.52 -0.01 0.00 -2.44 0.00 0.00 57.07 56.11 1qwx s TYR 81 Cb -0.15 -3.43 -0.00 0.00 0.35 0.00 0.00 41.96 38.73 1qwx s TYR 81 CO 0.01 -1.10 -0.02 -3.47 -1.34 0.00 0.00 175.55 169.64 1qwx n ASP 82 N 1.70 0.23 -1.66 4.32 4.64 -0.81 -4.90 116.55 120.06 1qwx n ASP 82 Ca 0.02 0.03 -0.05 0.00 -1.38 0.00 0.00 54.79 53.41 1qwx n ASP 82 Cb 0.44 -0.22 -0.01 0.00 -1.04 0.00 0.00 41.12 40.29 1qwx n ASP 82 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1qwx n ASP 83 N -2.72 -0.43 0.31 1.67 5.68 -0.75 -4.98 116.55 115.33 1qwx n ASP 83 Ca -0.01 -1.63 0.19 0.00 -0.50 0.00 0.00 54.79 52.84 1qwx n ASP 83 Cb 0.03 0.81 1.05 0.00 -1.14 0.00 0.00 41.12 41.87 1qwx n ASP 83 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1qwx h THR 84 N 1.33 0.23 -0.01 2.12 1.35 -2.01 -2.14 112.91 113.78 1qwx h THR 84 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1qwx h THR 84 Cb 0.39 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1qwx h THR 84 CO 0.12 0.00 -0.11 0.00 -0.25 0.00 0.00 175.52 175.28 1qwx n GLN 85 N -3.40 1.31 -3.77 4.72 1.13 -1.26 -4.83 117.38 111.28 1qwx n GLN 85 Ca -0.02 -0.99 -0.13 0.00 -1.94 0.00 0.00 57.00 53.92 1qwx n GLN 85 Cb 0.13 -1.20 -0.13 0.00 0.11 0.00 0.00 30.24 29.15 1qwx n GLN 85 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1qwx s HIS 86 N -1.27 -0.20 0.19 1.08 3.76 -0.80 -0.44 115.29 117.60 1qwx s HIS 86 Ca 0.13 0.53 0.05 0.00 -0.15 0.00 0.00 55.06 55.61 1qwx s HIS 86 Cb 0.10 -0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.74 1qwx s HIS 86 CO 0.22 -0.15 -0.08 0.96 -0.85 0.00 0.00 174.74 174.84 1qwx s ILE 87 N 0.81 1.24 0.00 0.60 -4.36 -0.63 -1.80 121.20 117.06 1qwx s ILE 87 Ca -0.06 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 1qwx s ILE 87 Cb -0.08 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.58 1qwx s ILE 87 CO -0.04 -0.58 0.00 0.18 0.24 0.00 0.00 174.94 174.74 1qwx n LEU 88 N -0.31 0.00 0.00 0.37 4.32 0.19 -0.42 117.00 121.15 1qwx n LEU 88 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1qwx n LEU 88 Cb 0.62 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1qwx n LEU 88 CO 0.34 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.51 1qwx n GLN 90 N 0.00 0.00 -5.02 3.23 6.02 -0.05 -0.61 117.38 120.96 1qwx n GLN 90 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1qwx n GLN 90 Cb 0.00 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 1qwx n GLN 90 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1qwx s THR 91 N -2.00 1.90 0.00 5.09 -4.23 -1.26 -0.66 115.64 114.47 1qwx s THR 91 Ca 0.00 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1qwx s THR 91 Cb 0.00 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1qwx s THR 91 CO 0.00 0.43 0.00 -0.24 -0.54 0.00 0.00 174.62 174.27 1qwx n SER 92 N 2.21 0.51 -3.66 3.99 2.88 0.66 -0.61 113.62 119.60 1qwx n SER 92 Ca -0.16 -0.26 -0.10 0.00 -1.33 0.00 0.00 58.87 57.02 1qwx n SER 92 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1qwx n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1qwx s SER 93 N 0.49 -0.20 0.15 -3.46 1.04 -1.26 -1.58 113.70 108.87 1qwx s SER 93 Ca 0.00 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.02 1qwx s SER 93 Cb 0.00 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 1qwx s SER 93 CO 0.00 -0.83 1.46 0.50 0.98 0.00 0.00 173.24 175.35 1qwx h LYS 94 N 2.45 0.78 0.00 4.02 3.64 -1.32 -3.38 116.57 122.75 1qwx h LYS 94 Ca -0.34 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 1qwx h LYS 94 Cb 1.25 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1qwx h LYS 94 CO 0.48 1.10 0.00 1.04 -2.27 0.00 0.00 179.45 179.80 1qwx n GLN 95 N -4.00 0.27 -0.74 1.90 6.02 -1.26 -5.08 117.38 114.48 1qwx n GLN 95 Ca -0.03 -0.45 -0.01 0.00 -0.01 0.00 0.00 57.00 56.50 1qwx n GLN 95 Cb 0.60 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 31.24 1qwx n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qwx n GLY 96 N -0.07 0.90 3.46 1.08 0.00 -1.26 -5.10 105.19 104.21 1qwx n GLY 96 Ca 0.00 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1qwx n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qwx s ILE 97 N 0.21 3.50 0.00 -0.61 -1.09 -1.26 -4.89 121.20 117.06 1qwx s ILE 97 Ca 0.02 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 1qwx s ILE 97 Cb -0.00 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1qwx s ILE 97 CO 0.02 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1qwx n GLY 98 N 3.30 1.57 2.84 6.18 0.00 -1.26 -5.00 105.19 112.81 1qwx n GLY 98 Ca -0.18 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 1qwx n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwx s THR 99 N -2.57 -0.01 0.73 2.61 2.01 -1.26 -4.39 115.64 112.76 1qwx s THR 99 Ca 0.00 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 1qwx s THR 99 Cb 0.00 -0.04 0.03 0.00 0.01 0.00 0.00 72.50 72.50 1qwx s THR 99 CO 0.00 0.03 1.08 -0.94 -0.69 0.00 0.00 174.62 174.09 1qwx s SER 100 N 0.29 5.06 0.40 3.53 1.04 0.22 -4.98 113.70 119.27 1qwx s SER 100 Ca -0.02 1.44 -0.25 0.00 0.48 0.00 0.00 55.95 57.60 1qwx s SER 100 Cb -0.04 -2.26 -0.08 0.00 0.10 0.00 0.00 66.02 63.74 1qwx s SER 100 CO -0.01 -1.63 1.14 -0.13 0.98 0.00 0.00 173.24 173.59 1qwx s ARG 101 N -5.12 4.06 0.36 4.02 0.52 -1.26 -4.56 118.95 116.97 1qwx s ARG 101 Ca 0.59 1.75 -0.28 0.00 -0.52 0.00 0.00 55.73 57.27 1qwx s ARG 101 Cb -0.14 -2.63 -0.11 0.00 0.52 0.00 0.00 34.95 32.60 1qwx s ARG 101 CO 0.54 -0.29 1.42 -2.14 0.02 0.00 0.00 175.30 174.85 1qwx s PRO 102 N -2.36 4.18 -0.11 3.54 0.02 -1.26 -4.70 135.00 134.31 1qwx s PRO 102 Ca 0.58 2.43 0.02 0.00 0.02 0.00 0.00 61.00 64.05 1qwx s PRO 102 Cb -0.28 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 1qwx s PRO 102 CO 0.36 -0.42 -0.18 0.42 -0.33 0.00 0.00 177.00 176.85 1qwx s ILE 103 N -1.13 2.61 0.02 2.83 1.01 -1.26 -5.01 121.20 120.26 1qwx s ILE 103 Ca 0.52 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 1qwx s ILE 103 Cb -0.44 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1qwx s ILE 103 CO 0.59 0.54 0.89 -0.69 0.00 0.00 0.00 174.94 176.28 1qwx s VAL 104 N 0.27 4.80 -0.10 2.92 1.01 -1.26 -4.29 120.40 123.74 1qwx s VAL 104 Ca -0.13 1.89 0.03 0.00 0.00 0.00 0.00 61.98 63.77 1qwx s VAL 104 Cb -0.16 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 1qwx s VAL 104 CO 0.07 0.24 -0.20 -0.31 0.00 0.00 0.00 175.10 174.90 1qwx s TYR 105 N 0.59 2.64 -0.07 5.22 2.02 0.43 -4.59 117.35 123.59 1qwx s TYR 105 Ca 0.46 -0.78 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 1qwx s TYR 105 Cb -0.21 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1qwx s TYR 105 CO 0.26 -0.26 0.18 -2.00 -1.57 0.00 0.00 175.55 172.16 1qwx s GLU 106 N 0.17 3.48 0.11 -0.62 2.12 0.15 -1.60 118.70 122.50 1qwx s GLU 106 Ca -0.11 -0.14 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 1qwx s GLU 106 Cb -0.16 -3.16 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 1qwx s GLU 106 CO 0.06 0.73 1.48 0.50 -0.54 0.00 0.00 175.26 177.50 1qwx s ARG 107 N -1.34 4.27 0.00 4.30 3.52 0.42 -0.40 118.95 129.72 1qwx s ARG 107 Ca 0.20 2.18 0.28 0.00 -0.13 0.00 0.00 55.73 58.26 1qwx s ARG 107 Cb -0.13 -3.31 1.01 0.00 -1.56 0.00 0.00 34.95 30.96 1qwx s ARG 107 CO 0.10 -0.55 1.72 1.28 -0.81 0.00 0.00 175.30 177.04