#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhx s ARG 6 N 0.00 4.47 1.06 0.54 0.52 -1.26 -5.06 118.95 119.22 1xhx s ARG 6 Ca 0.00 1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 56.07 1xhx s ARG 6 Cb 0.00 -3.41 0.22 0.00 0.52 0.00 0.00 34.95 32.29 1xhx s ARG 6 CO 0.00 0.16 1.16 0.15 0.02 0.00 0.00 175.30 176.79 1xhx s LYS 7 N 0.40 -0.09 -0.03 3.54 1.02 -1.26 -4.84 119.74 118.49 1xhx s LYS 7 Ca 0.39 -0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.34 1xhx s LYS 7 Cb -0.19 -1.72 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 1xhx s LYS 7 CO 0.21 -2.97 0.08 -1.64 -0.92 0.00 0.00 175.35 170.12 1xhx s MET 8 N -5.45 0.14 0.07 1.68 -1.94 -1.26 -1.53 119.30 111.02 1xhx s MET 8 Ca 0.69 0.04 0.04 0.00 -1.71 0.00 0.00 55.69 54.75 1xhx s MET 8 Cb -0.10 0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.77 1xhx s MET 8 CO 0.55 -0.02 -0.11 0.71 -0.01 0.00 0.00 175.02 176.14 1xhx s TYR 9 N -0.14 1.02 -0.54 -0.03 1.51 0.46 -1.02 117.35 118.61 1xhx s TYR 9 Ca -0.02 -0.55 -0.15 0.00 -1.01 0.00 0.00 57.07 55.35 1xhx s TYR 9 Cb -0.02 -0.57 0.13 0.00 -0.11 0.00 0.00 41.96 41.39 1xhx s TYR 9 CO 0.00 -0.00 0.48 0.45 -1.11 0.00 0.00 175.55 175.37 1xhx s SER 10 N -1.98 6.11 0.28 2.29 0.15 0.79 -0.19 113.70 121.15 1xhx s SER 10 Ca -0.01 -1.84 0.06 0.00 0.70 0.00 0.00 55.95 54.86 1xhx s SER 10 Cb -0.07 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1xhx s SER 10 CO 0.01 -0.82 0.35 0.00 1.20 0.00 0.00 173.24 173.99 1xhx s ALA 12 N -2.10 -1.92 0.13 0.00 0.00 -0.49 -4.36 121.76 113.02 1xhx s ALA 12 Ca 0.38 1.93 0.09 0.00 0.00 0.00 0.00 51.96 54.35 1xhx s ALA 12 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1xhx s ALA 12 CO 0.29 -0.27 -0.15 -0.06 0.00 0.00 0.00 175.76 175.57 1xhx s PHE 13 N 0.29 2.59 -0.09 0.00 2.99 -1.26 -1.89 117.98 120.61 1xhx s PHE 13 Ca 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 56.93 56.76 1xhx s PHE 13 Cb -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 43.02 41.63 1xhx s PHE 13 CO -0.04 0.43 -0.23 -1.21 -0.00 0.00 0.00 175.22 174.17 1xhx s GLU 14 N -2.34 2.84 0.25 0.44 0.41 -0.57 -5.00 118.70 114.72 1xhx s GLU 14 Ca 0.20 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 53.97 1xhx s GLU 14 Cb -0.10 -2.17 -0.05 0.00 -1.78 0.00 0.00 34.13 30.02 1xhx s GLU 14 CO 0.12 0.18 0.03 0.95 -0.49 0.00 0.00 175.26 176.05 1xhx s THR 15 N 0.34 0.89 0.24 3.63 -4.23 -1.26 -1.23 115.64 114.02 1xhx s THR 15 Ca -0.17 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.15 1xhx s THR 15 Cb -0.17 -2.47 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 1xhx s THR 15 CO 0.08 -0.20 0.69 0.42 -0.54 0.00 0.00 174.62 175.07 1xhx s THR 16 N -3.51 4.66 -2.11 3.99 -4.23 -0.97 -4.93 115.64 108.53 1xhx s THR 16 Ca 0.32 1.08 0.15 0.00 -1.18 0.00 0.00 61.69 62.06 1xhx s THR 16 Cb 0.07 -3.76 0.37 0.00 1.34 0.00 0.00 72.50 70.52 1xhx s THR 16 CO 0.11 0.09 1.38 0.35 -0.54 0.00 0.00 174.62 176.01 1xhx n THR 17 N 0.39 0.35 -2.38 3.99 -2.24 -1.26 -4.47 114.28 108.65 1xhx n THR 17 Ca -0.01 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 1xhx n THR 17 Cb 0.52 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1xhx n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xhx s LYS 18 N -1.65 4.37 0.03 -0.78 -0.14 -1.26 -4.84 119.74 115.47 1xhx s LYS 18 Ca 0.27 1.79 0.20 0.00 -1.36 0.00 0.00 55.97 56.87 1xhx s LYS 18 Cb 0.14 -3.47 0.83 0.00 -1.68 0.00 0.00 37.83 33.66 1xhx s LYS 18 CO 0.20 -0.40 1.63 0.28 -0.76 0.00 0.00 175.35 176.30 1xhx n VAL 19 N 4.33 0.69 -0.03 3.17 0.31 -1.26 -2.60 118.33 122.93 1xhx n VAL 19 Ca 0.11 0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 64.57 1xhx n VAL 19 Cb 0.46 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 1xhx n VAL 19 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xhx n GLU 20 N -1.60 2.19 -3.07 5.55 4.71 -1.26 -4.71 120.64 122.45 1xhx n GLU 20 Ca 0.04 -0.02 -0.28 0.00 -0.01 0.00 0.00 57.16 56.90 1xhx n GLU 20 Cb 0.23 -1.22 -0.05 0.00 -1.01 0.00 0.00 31.44 29.40 1xhx n GLU 20 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1xhx n ASP 21 N -2.22 4.46 -4.59 1.62 2.03 -1.17 -5.02 116.55 111.66 1xhx n ASP 21 Ca -0.11 -3.61 -0.42 0.00 0.52 0.00 0.00 54.79 51.17 1xhx n ASP 21 Cb 0.67 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 40.37 1xhx n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xhx s ARG 23 N 2.74 0.63 -0.02 0.00 1.70 -1.26 -4.38 118.95 118.36 1xhx s ARG 23 Ca 0.26 -0.16 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 1xhx s ARG 23 Cb -0.14 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1xhx s ARG 23 CO 0.14 -0.26 1.22 0.08 -1.08 0.00 0.00 175.30 175.40 1xhx s VAL 24 N -2.49 4.15 -0.70 4.99 1.01 -1.26 -2.29 120.40 123.81 1xhx s VAL 24 Ca 0.05 1.50 0.06 0.00 0.00 0.00 0.00 61.98 63.59 1xhx s VAL 24 Cb -0.01 -3.96 0.11 0.00 0.00 0.00 0.00 36.38 32.52 1xhx s VAL 24 CO -0.06 0.03 0.90 -2.67 0.00 0.00 0.00 175.10 173.30 1xhx n TRP 25 N 4.92 0.12 -3.64 5.22 4.27 -0.37 -4.49 117.44 123.47 1xhx n TRP 25 Ca 0.11 -0.22 -0.10 0.00 -3.89 0.00 0.00 57.50 53.39 1xhx n TRP 25 Cb 0.46 -0.02 -0.07 0.00 -1.36 0.00 0.00 31.31 30.32 1xhx n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xhx s ALA 26 N -0.75 -1.92 0.17 -1.67 0.00 -1.20 -4.61 121.76 111.78 1xhx s ALA 26 Ca 0.10 1.92 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 1xhx s ALA 26 Cb 0.06 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1xhx s ALA 26 CO 0.09 -0.27 0.09 1.52 0.00 0.00 0.00 175.76 177.20 1xhx s TYR 27 N 0.28 1.06 -0.29 0.00 -0.85 -1.12 -1.52 117.35 114.91 1xhx s TYR 27 Ca 0.02 -1.30 -0.17 0.00 -0.52 0.00 0.00 57.07 55.10 1xhx s TYR 27 Cb -0.05 -0.55 0.13 0.00 0.38 0.00 0.00 41.96 41.88 1xhx s TYR 27 CO -0.04 -0.57 0.95 0.20 -1.52 0.00 0.00 175.55 174.57 1xhx s GLY 28 N -3.12 -0.09 0.05 5.49 0.00 -0.79 -2.74 107.32 106.11 1xhx s GLY 28 Ca 0.33 2.99 0.04 0.00 0.00 0.00 0.00 44.72 48.08 1xhx s GLY 28 CO 0.08 2.46 -0.12 -2.52 0.00 0.00 0.00 173.10 172.99 1xhx s TYR 29 N 1.20 1.07 -0.05 1.90 -0.85 -0.52 -1.40 117.35 118.70 1xhx s TYR 29 Ca -0.07 -0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.02 1xhx s TYR 29 Cb -0.04 -0.62 0.01 0.00 0.38 0.00 0.00 41.96 41.69 1xhx s TYR 29 CO -0.14 0.02 0.12 1.41 -1.52 0.00 0.00 175.55 175.44 1xhx s MET 30 N -1.43 0.13 -0.06 -3.49 1.75 -0.99 -0.96 119.30 114.26 1xhx s MET 30 Ca -0.02 0.19 -0.30 0.00 -1.25 0.00 0.00 55.69 54.31 1xhx s MET 30 Cb -0.09 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.58 1xhx s MET 30 CO 0.01 -0.03 1.34 1.21 -0.65 0.00 0.00 175.02 176.90 1xhx s ASN 31 N 0.19 6.91 0.28 1.11 3.04 -0.76 -0.15 114.94 125.56 1xhx s ASN 31 Ca -0.01 1.95 -0.03 0.00 0.04 0.00 0.00 52.86 54.81 1xhx s ASN 31 Cb -0.02 -2.55 0.38 0.00 -1.54 0.00 0.00 41.25 37.52 1xhx s ASN 31 CO -0.00 -0.71 1.94 0.40 -3.04 0.00 0.00 177.10 175.69 1xhx h ILE 32 N 5.13 1.23 0.00 -5.21 2.04 -1.42 -2.57 117.51 116.72 1xhx h ILE 32 Ca -0.34 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1xhx h ILE 32 Cb 1.16 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1xhx h ILE 32 CO 0.92 0.23 -0.35 -0.33 0.00 0.00 0.00 178.15 178.62 1xhx h GLU 33 N 1.16 0.00 -2.65 2.37 5.08 -1.91 -3.41 114.58 115.22 1xhx h GLU 33 Ca 0.31 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.11 1xhx h GLU 33 Cb -0.09 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.76 1xhx h GLU 33 CO -0.06 0.18 -0.82 0.34 -1.00 0.00 0.00 179.01 177.65 1xhx s ASP 34 N -6.18 3.16 0.00 1.42 2.15 -0.99 -5.00 116.67 111.24 1xhx s ASP 34 Ca 0.05 -1.81 0.01 0.00 0.43 0.00 0.00 52.55 51.23 1xhx s ASP 34 Cb 0.07 -0.36 0.09 0.00 -0.30 0.00 0.00 42.92 42.41 1xhx s ASP 34 CO 0.72 -0.36 0.54 1.41 -0.17 0.00 0.00 175.17 177.31 1xhx n HIS 35 N 4.53 0.00 0.06 -5.34 8.25 -1.10 -2.18 115.22 119.45 1xhx n HIS 35 Ca 0.05 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.61 1xhx n HIS 35 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 1xhx n HIS 35 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1xhx n SER 36 N -0.55 0.60 -4.39 0.41 3.41 -1.26 -4.63 113.62 107.21 1xhx n SER 36 Ca 0.01 0.24 -0.45 0.00 -0.26 0.00 0.00 58.87 58.40 1xhx n SER 36 Cb 0.00 0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 64.80 1xhx n SER 36 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xhx s GLU 37 N -3.35 3.65 0.09 4.33 2.12 -0.93 -5.00 118.70 119.61 1xhx s GLU 37 Ca -0.03 -2.18 0.01 0.00 0.36 0.00 0.00 54.97 53.13 1xhx s GLU 37 Cb 0.11 -4.68 -0.04 0.00 0.26 0.00 0.00 34.13 29.77 1xhx s GLU 37 CO 0.83 -1.53 -0.04 1.52 -0.54 0.00 0.00 175.26 175.50 1xhx s TYR 38 N 1.31 0.81 -0.05 5.30 -0.85 -1.26 -1.83 117.35 120.77 1xhx s TYR 38 Ca 0.26 -0.98 -0.04 0.00 -0.52 0.00 0.00 57.07 55.78 1xhx s TYR 38 Cb -0.07 -0.49 0.02 0.00 0.38 0.00 0.00 41.96 41.79 1xhx s TYR 38 CO -0.09 -0.24 0.14 0.21 -1.52 0.00 0.00 175.55 174.05 1xhx s LYS 39 N -3.88 0.15 -0.33 -3.49 2.47 -0.14 -4.99 119.74 109.53 1xhx s LYS 39 Ca 0.12 0.23 -0.00 0.00 -1.56 0.00 0.00 55.97 54.76 1xhx s LYS 39 Cb 0.06 0.03 0.11 0.00 -1.46 0.00 0.00 37.83 36.57 1xhx s LYS 39 CO -0.05 -0.05 0.12 0.42 0.16 0.00 0.00 175.35 175.95 1xhx s ILE 40 N 0.29 1.04 0.00 5.43 1.01 -1.26 -1.45 121.20 126.26 1xhx s ILE 40 Ca -0.02 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1xhx s ILE 40 Cb -0.03 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1xhx s ILE 40 CO -0.01 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 174.83 1xhx n GLY 41 N 4.61 2.15 0.11 6.18 0.00 -1.11 -4.93 105.19 112.19 1xhx n GLY 41 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1xhx n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xhx n ASN 42 N -1.16 0.00 -3.77 1.61 6.94 -1.26 -2.80 115.26 114.82 1xhx n ASN 42 Ca 0.00 -1.19 -0.23 0.00 -0.02 0.00 0.00 54.58 53.15 1xhx n ASN 42 Cb 0.00 -0.04 -0.18 0.00 -2.36 0.00 0.00 39.78 37.21 1xhx n ASN 42 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xhx s SER 43 N -0.19 1.55 0.56 0.53 1.04 -1.26 -4.44 113.70 111.49 1xhx s SER 43 Ca 0.00 -0.08 0.25 0.00 0.48 0.00 0.00 55.95 56.61 1xhx s SER 43 Cb 0.00 -0.43 1.51 0.00 0.10 0.00 0.00 66.02 67.20 1xhx s SER 43 CO 0.00 -0.19 2.08 0.25 0.98 0.00 0.00 173.24 176.35 1xhx h LEU 44 N 8.31 0.00 -1.03 2.42 5.85 -1.97 0.16 115.31 129.06 1xhx h LEU 44 Ca -0.20 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 1xhx h LEU 44 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1xhx h LEU 44 CO 0.26 0.00 -0.40 0.44 -0.34 0.00 0.00 178.44 178.40 1xhx h ASP 45 N 0.00 0.18 0.06 1.25 3.32 -1.97 -1.02 116.42 118.24 1xhx h ASP 45 Ca 0.12 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xhx h ASP 45 Cb 0.56 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xhx h ASP 45 CO -0.00 0.56 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.98 1xhx h GLU 46 N 0.15 -0.07 -0.50 3.56 4.81 -1.40 -2.67 114.58 118.46 1xhx h GLU 46 Ca 0.01 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1xhx h GLU 46 Cb 0.77 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 1xhx h GLU 46 CO 0.06 0.40 0.27 0.35 -0.73 0.00 0.00 179.01 179.36 1xhx h PHE 47 N -0.59 0.50 0.00 0.92 3.57 -1.42 -2.37 116.94 117.54 1xhx h PHE 47 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1xhx h PHE 47 Cb 0.51 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1xhx h PHE 47 CO 0.09 0.26 -0.06 0.52 -2.23 0.00 0.00 178.31 176.89 1xhx h MET 48 N 0.53 0.00 0.21 1.11 2.86 -1.22 -0.80 114.93 117.61 1xhx h MET 48 Ca 0.21 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1xhx h MET 48 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1xhx h MET 48 CO -0.13 0.06 -0.10 0.00 1.06 0.00 0.00 176.91 177.80 1xhx h ALA 49 N 1.94 -0.28 -0.19 6.32 0.00 -1.06 -2.62 119.26 123.36 1xhx h ALA 49 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1xhx h ALA 49 Cb 0.39 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1xhx h ALA 49 CO 0.01 -0.43 -0.39 2.35 0.00 0.00 0.00 179.25 180.79 1xhx h TRP 50 N -0.74 -1.11 -1.04 0.00 7.01 -1.29 -0.98 115.95 117.81 1xhx h TRP 50 Ca -0.03 0.05 0.32 0.00 2.11 0.00 0.00 58.89 61.34 1xhx h TRP 50 Cb 0.50 0.51 -0.14 0.00 -2.10 0.00 0.00 29.16 27.93 1xhx h TRP 50 CO 0.05 -0.44 0.61 0.28 -2.79 0.00 0.00 178.44 176.15 1xhx h VAL 51 N -0.42 0.32 0.00 2.65 2.07 -1.15 0.68 116.25 120.40 1xhx h VAL 51 Ca 0.10 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xhx h VAL 51 Cb 0.59 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1xhx h VAL 51 CO -0.43 0.06 0.00 -0.07 0.02 0.00 0.00 177.57 177.15 1xhx h LEU 52 N 0.33 0.00 0.00 2.57 3.38 -0.79 -3.37 115.31 117.43 1xhx h LEU 52 Ca 0.72 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 58.28 1xhx h LEU 52 Cb 1.72 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 1xhx h LEU 52 CO -0.55 0.00 -2.25 0.29 0.09 0.00 0.00 178.44 176.02 1xhx n LYS 53 N -2.79 0.58 0.16 1.13 5.02 0.23 -4.60 118.16 117.89 1xhx n LYS 53 Ca 0.03 0.33 0.19 0.00 -2.02 0.00 0.00 58.31 56.83 1xhx n LYS 53 Cb 0.38 -1.54 0.79 0.00 -0.02 0.00 0.00 35.03 34.63 1xhx n LYS 53 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1xhx h VAL 54 N -1.00 0.34 -4.32 -0.18 -1.51 -1.48 -3.45 116.25 104.65 1xhx h VAL 54 Ca -0.62 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 64.59 1xhx h VAL 54 Cb 1.54 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1xhx h VAL 54 CO -0.37 0.00 -0.35 0.00 -1.23 0.00 0.00 177.57 175.61 1xhx n GLN 55 N -3.61 -2.62 -2.25 5.19 6.02 -1.25 -4.88 117.38 113.98 1xhx n GLN 55 Ca 0.04 0.52 -0.08 0.00 -0.01 0.00 0.00 57.00 57.47 1xhx n GLN 55 Cb 0.49 -5.14 0.00 0.00 1.02 0.00 0.00 30.24 26.61 1xhx n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xhx n ALA 56 N -2.57 0.27 -2.76 -1.58 0.00 -1.26 -4.73 120.51 107.88 1xhx n ALA 56 Ca -0.10 -0.71 -0.35 0.00 0.00 0.00 0.00 53.44 52.28 1xhx n ALA 56 Cb 0.59 0.29 -0.09 0.00 0.00 0.00 0.00 19.45 20.23 1xhx n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xhx s ASP 57 N -2.03 5.89 -0.07 0.00 1.01 -0.58 -1.74 116.67 119.15 1xhx s ASP 57 Ca 0.10 0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.48 1xhx s ASP 57 Cb -0.01 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 1xhx s ASP 57 CO 0.06 0.12 -0.09 -0.76 0.21 0.00 0.00 175.17 174.72 1xhx s LEU 58 N 0.69 3.07 -0.15 1.23 1.43 0.13 -0.41 118.68 124.67 1xhx s LEU 58 Ca 0.06 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1xhx s LEU 58 Cb -0.13 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1xhx s LEU 58 CO 0.01 0.36 -0.18 -0.31 0.23 0.00 0.00 176.35 176.46 1xhx s TYR 59 N -0.77 2.43 -0.09 0.29 1.51 0.73 0.56 117.35 122.00 1xhx s TYR 59 Ca 0.12 -1.31 0.00 0.00 -1.01 0.00 0.00 57.07 54.87 1xhx s TYR 59 Cb -0.11 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1xhx s TYR 59 CO 0.01 -0.65 -0.09 -0.06 -1.11 0.00 0.00 175.55 173.65 1xhx s PHE 60 N 1.14 2.88 -2.00 2.71 0.40 -0.62 -0.60 117.98 121.89 1xhx s PHE 60 Ca -0.01 -0.23 0.14 0.00 -0.60 0.00 0.00 56.93 56.24 1xhx s PHE 60 Cb -0.14 -1.77 0.85 0.00 0.51 0.00 0.00 43.02 42.47 1xhx s PHE 60 CO -0.07 0.11 1.34 1.58 0.70 0.00 0.00 175.22 178.88 1xhx n HIS 61 N 2.78 0.00 -2.72 0.36 -0.00 -1.26 -1.35 115.22 113.03 1xhx n HIS 61 Ca -0.18 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.93 1xhx n HIS 61 Cb 0.53 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 30.47 1xhx n HIS 61 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1xhx n ASN 62 N -0.82 -2.23 -0.36 0.26 2.85 -1.26 -4.27 115.26 109.42 1xhx n ASN 62 Ca 0.11 -3.03 0.31 0.00 -0.11 0.00 0.00 54.58 51.86 1xhx n ASN 62 Cb 0.05 1.62 0.63 0.00 1.24 0.00 0.00 39.78 43.31 1xhx n ASN 62 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1xhx h LEU 63 N 3.24 0.24 -0.84 1.20 5.85 -1.86 0.25 115.31 123.39 1xhx h LEU 63 Ca -0.17 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.75 1xhx h LEU 63 Cb 1.11 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 1xhx h LEU 63 CO 0.13 0.00 0.43 0.50 -0.34 0.00 0.00 178.44 179.17 1xhx h LYS 64 N 0.19 0.62 0.00 1.25 3.64 -1.94 1.66 116.57 121.99 1xhx h LYS 64 Ca 0.64 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1xhx h LYS 64 Cb 2.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 1xhx h LYS 64 CO -0.21 0.41 0.00 0.34 -2.27 0.00 0.00 179.45 177.72 1xhx n PHE 65 N -4.86 0.00 0.16 1.91 7.35 0.85 -3.81 117.46 119.06 1xhx n PHE 65 Ca 0.16 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.03 1xhx n PHE 65 Cb 0.41 -0.34 0.78 0.00 0.35 0.00 0.00 39.48 40.67 1xhx n PHE 65 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xhx h ALA 66 N -2.00 1.99 -0.47 3.13 0.00 -1.49 -2.26 119.26 118.16 1xhx h ALA 66 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xhx h ALA 66 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xhx h ALA 66 CO 0.00 -0.38 0.31 0.78 0.00 0.00 0.00 179.25 179.96 1xhx h GLY 67 N 0.00 0.58 0.86 0.00 0.00 0.24 -2.76 103.07 101.99 1xhx h GLY 67 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1xhx h GLY 67 CO -0.00 0.18 0.04 0.00 0.00 0.00 0.00 176.54 176.76 1xhx h ALA 68 N 1.73 0.15 0.00 3.60 0.00 -1.50 0.16 119.26 123.40 1xhx h ALA 68 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xhx h ALA 68 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xhx h ALA 68 CO -0.05 -0.25 -0.08 0.74 0.00 0.00 0.00 179.25 179.61 1xhx h PHE 69 N 0.02 0.00 0.00 0.00 -1.00 -1.65 -0.04 116.94 114.28 1xhx h PHE 69 Ca 0.04 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1xhx h PHE 69 Cb 0.18 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.74 1xhx h PHE 69 CO -0.01 0.08 -0.02 0.82 -1.61 0.00 0.00 178.31 177.57 1xhx h ILE 70 N 0.00 0.93 -0.92 -0.55 2.04 -1.23 -2.62 117.51 115.16 1xhx h ILE 70 Ca -0.00 -1.70 0.14 0.00 1.00 0.00 0.00 64.86 64.30 1xhx h ILE 70 Cb 0.20 1.76 -0.09 0.00 -0.74 0.00 0.00 36.82 37.95 1xhx h ILE 70 CO 0.01 0.31 0.54 0.40 0.00 0.00 0.00 178.15 179.41 1xhx h ILE 71 N -1.00 0.81 -0.67 -0.67 1.08 -0.85 0.73 117.51 116.95 1xhx h ILE 71 Ca -0.00 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1xhx h ILE 71 Cb 0.53 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 1xhx h ILE 71 CO -0.00 0.14 0.42 0.78 -0.69 0.00 0.00 178.15 178.80 1xhx h ASN 72 N 0.79 0.69 0.05 1.72 2.35 -1.09 -2.53 115.58 117.56 1xhx h ASN 72 Ca 0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1xhx h ASN 72 Cb 0.60 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1xhx h ASN 72 CO -0.32 0.48 -0.02 -0.25 -1.65 0.00 0.00 177.43 175.67 1xhx h TRP 73 N 0.82 -0.06 -0.07 1.19 7.01 -0.51 -3.05 115.95 121.28 1xhx h TRP 73 Ca 0.27 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.29 1xhx h TRP 73 Cb 0.02 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1xhx h TRP 73 CO -0.05 0.20 0.05 -0.07 -2.79 0.00 0.00 178.44 175.79 1xhx h LEU 74 N -0.33 0.00 -0.76 0.65 3.38 -1.12 -0.77 115.31 116.37 1xhx h LEU 74 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1xhx h LEU 74 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1xhx h LEU 74 CO 0.01 0.00 -0.52 -0.33 0.09 0.00 0.00 178.44 177.69 1xhx h GLU 75 N 0.00 0.00 -0.99 1.13 4.39 -1.40 -1.42 114.58 116.29 1xhx h GLU 75 Ca 0.03 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.27 1xhx h GLU 75 Cb 0.14 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.51 1xhx h GLU 75 CO -0.00 0.52 0.59 0.54 -1.16 0.00 0.00 179.01 179.50 1xhx n ARG 76 N -3.62 2.23 -2.70 2.33 1.74 -0.31 -4.41 116.66 111.92 1xhx n ARG 76 Ca -0.00 -2.79 -0.02 0.00 -0.77 0.00 0.00 57.85 54.26 1xhx n ARG 76 Cb 0.59 -2.10 0.11 0.00 -1.02 0.00 0.00 32.46 30.05 1xhx n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xhx n ASN 77 N -0.98 -0.91 0.00 0.55 3.02 -1.13 -5.00 115.26 110.81 1xhx n ASN 77 Ca 0.55 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 1xhx n ASN 77 Cb 1.58 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 41.24 1xhx n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xhx n GLY 78 N -1.25 2.56 3.93 7.41 0.00 -1.25 -4.99 105.19 111.60 1xhx n GLY 78 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1xhx n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xhx s PHE 79 N -2.80 3.49 -0.07 1.61 0.40 -0.55 -4.76 117.98 115.30 1xhx s PHE 79 Ca 0.00 0.43 -0.31 0.00 -0.60 0.00 0.00 56.93 56.45 1xhx s PHE 79 Cb 0.00 -1.94 0.07 0.00 0.51 0.00 0.00 43.02 41.67 1xhx s PHE 79 CO 0.00 0.23 0.70 -1.59 0.70 0.00 0.00 175.22 175.26 1xhx s LYS 80 N -3.74 1.02 0.62 0.44 -2.85 -1.26 -4.04 119.74 109.94 1xhx s LYS 80 Ca 0.40 0.31 -0.18 0.00 -1.00 0.00 0.00 55.97 55.50 1xhx s LYS 80 Cb -0.10 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1xhx s LYS 80 CO 0.32 -0.31 1.02 1.87 0.10 0.00 0.00 175.35 178.35 1xhx n TRP 81 N 1.03 0.99 -3.30 1.78 -0.00 -1.26 -3.13 117.44 113.55 1xhx n TRP 81 Ca -0.18 0.43 0.03 0.00 -0.00 0.00 0.00 57.50 57.77 1xhx n TRP 81 Cb 0.57 -2.15 -0.04 0.00 -0.00 0.00 0.00 31.31 29.68 1xhx n TRP 81 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1xhx s SER 82 N -1.32 -0.32 0.44 5.87 1.04 -0.88 -4.85 113.70 113.69 1xhx s SER 82 Ca 0.78 0.44 0.17 0.00 0.48 0.00 0.00 55.95 57.81 1xhx s SER 82 Cb -0.40 1.35 1.09 0.00 0.10 0.00 0.00 66.02 68.16 1xhx s SER 82 CO 0.45 -0.06 1.92 0.00 0.98 0.00 0.00 173.24 176.53 1xhx h ALA 83 N 7.22 2.16 -2.32 5.32 0.00 -1.96 -3.38 119.26 126.30 1xhx h ALA 83 Ca -0.15 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.26 1xhx h ALA 83 Cb 1.12 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1xhx h ALA 83 CO 0.08 -0.37 0.06 -0.51 0.00 0.00 0.00 179.25 178.51 1xhx s ASP 84 N -5.95 6.40 -1.10 0.00 1.01 -1.26 -4.95 116.67 110.83 1xhx s ASP 84 Ca -0.08 0.96 -0.21 0.00 0.71 0.00 0.00 52.55 53.94 1xhx s ASP 84 Cb 0.21 -2.25 0.07 0.00 1.01 0.00 0.00 42.92 41.95 1xhx s ASP 84 CO 0.76 -0.43 1.51 -0.83 0.21 0.00 0.00 175.17 176.39 1xhx s GLY 85 N -3.54 1.46 -0.04 0.21 0.00 -1.26 -4.87 107.32 99.28 1xhx s GLY 85 Ca 0.48 -2.52 0.01 0.00 0.00 0.00 0.00 44.72 42.69 1xhx s GLY 85 CO 0.36 2.63 -0.04 1.08 0.00 0.00 0.00 173.10 177.13 1xhx s LEU 86 N 4.47 3.35 0.29 0.66 1.43 -1.26 -4.97 118.68 122.65 1xhx s LEU 86 Ca 0.47 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 53.30 1xhx s LEU 86 Cb 0.01 -1.83 -0.16 0.00 0.03 0.00 0.00 46.19 44.24 1xhx s LEU 86 CO -0.05 0.33 0.49 -2.65 0.23 0.00 0.00 176.35 174.71 1xhx n PRO 87 N 1.84 0.26 -3.79 1.29 -0.02 -1.26 -2.78 135.00 130.53 1xhx n PRO 87 Ca -0.17 0.09 -0.31 0.00 -2.02 0.00 0.00 63.50 61.10 1xhx n PRO 87 Cb 0.53 -1.18 0.02 0.00 -0.02 0.00 0.00 33.50 32.84 1xhx n PRO 87 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xhx n ASN 88 N 1.87 -5.02 -0.75 2.55 4.13 -0.92 -4.96 115.26 112.16 1xhx n ASN 88 Ca 0.14 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.40 1xhx n ASN 88 Cb 0.31 -2.39 0.00 0.00 -1.54 0.00 0.00 39.78 36.16 1xhx n ASN 88 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1xhx n THR 89 N -3.66 0.00 -3.61 3.41 -1.04 -0.97 -4.08 114.28 104.33 1xhx n THR 89 Ca -0.17 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.75 1xhx n THR 89 Cb 0.61 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.06 1xhx n THR 89 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1xhx s TYR 90 N -5.09 -0.37 0.37 -1.42 -0.85 -1.19 -3.15 117.35 105.66 1xhx s TYR 90 Ca 0.00 0.76 0.08 0.00 -0.52 0.00 0.00 57.07 57.39 1xhx s TYR 90 Cb 0.00 0.42 -0.06 0.00 0.38 0.00 0.00 41.96 42.70 1xhx s TYR 90 CO 0.00 -0.26 0.03 1.21 -1.52 0.00 0.00 175.55 175.01 1xhx s ASN 91 N -0.54 4.10 0.15 -0.18 2.47 0.34 -2.07 114.94 119.21 1xhx s ASN 91 Ca 0.01 -1.13 -0.13 0.00 0.42 0.00 0.00 52.86 52.03 1xhx s ASN 91 Cb -0.02 -0.46 0.02 0.00 -1.45 0.00 0.00 41.25 39.33 1xhx s ASN 91 CO -0.03 -0.35 0.36 0.42 -3.72 0.00 0.00 177.10 173.79 1xhx s THR 92 N -2.59 0.07 -0.27 -5.21 -4.23 -1.26 0.20 115.64 102.36 1xhx s THR 92 Ca 0.36 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1xhx s THR 92 Cb 0.03 -1.47 0.08 0.00 1.34 0.00 0.00 72.50 72.49 1xhx s THR 92 CO 0.19 -0.33 0.06 -0.63 -0.54 0.00 0.00 174.62 173.38 1xhx s ILE 93 N -3.87 0.83 -0.06 2.99 1.01 -0.21 -4.97 121.20 116.92 1xhx s ILE 93 Ca 0.08 -1.11 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1xhx s ILE 93 Cb 0.02 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 41.04 1xhx s ILE 93 CO -0.07 -0.47 0.03 -0.63 0.00 0.00 0.00 174.94 173.81 1xhx s ILE 94 N 1.67 0.11 0.85 2.92 1.01 -1.26 -0.84 121.20 125.67 1xhx s ILE 94 Ca 0.05 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 1xhx s ILE 94 Cb -0.17 -0.33 0.11 0.00 0.01 0.00 0.00 42.46 42.07 1xhx s ILE 94 CO -0.18 0.21 1.11 -0.94 0.00 0.00 0.00 174.94 175.14 1xhx s SER 95 N 2.08 3.65 0.50 3.58 1.04 0.66 -0.92 113.70 124.30 1xhx s SER 95 Ca 0.05 1.95 0.17 0.00 0.48 0.00 0.00 55.95 58.59 1xhx s SER 95 Cb -0.12 -2.51 1.23 0.00 0.10 0.00 0.00 66.02 64.72 1xhx s SER 95 CO -0.04 -2.60 2.11 -0.09 0.98 0.00 0.00 173.24 173.60 1xhx h ARG 96 N -1.52 0.00 0.00 4.02 2.43 -1.48 -0.59 114.38 117.24 1xhx h ARG 96 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1xhx h ARG 96 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1xhx h ARG 96 CO 0.47 0.05 0.00 -1.33 -1.51 0.00 0.00 179.97 177.66 1xhx n MET 97 N -4.42 0.87 -0.27 0.20 2.81 -1.26 -4.89 117.12 110.16 1xhx n MET 97 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1xhx n MET 97 Cb 0.14 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1xhx n MET 97 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xhx n GLY 98 N 0.98 0.86 3.71 3.03 0.00 -0.23 -5.06 105.19 108.47 1xhx n GLY 98 Ca 0.21 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1xhx n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xhx s GLN 99 N -0.70 4.32 -0.12 1.61 -0.21 -1.26 -4.84 119.66 118.48 1xhx s GLN 99 Ca 0.00 0.53 -0.13 0.00 0.02 0.00 0.00 55.36 55.78 1xhx s GLN 99 Cb 0.00 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 1xhx s GLN 99 CO 0.00 0.06 0.30 -1.58 -2.12 0.00 0.00 175.29 171.95 1xhx s TRP 100 N 0.91 3.54 -0.00 0.91 0.52 -1.26 -0.24 118.94 123.31 1xhx s TRP 100 Ca 0.28 0.68 0.00 0.00 0.02 0.00 0.00 56.10 57.08 1xhx s TRP 100 Cb -0.16 -2.28 -0.00 0.00 -1.15 0.00 0.00 33.47 29.89 1xhx s TRP 100 CO 0.11 0.40 -0.00 0.66 0.02 0.00 0.00 176.95 178.14 1xhx n TYR 101 N 2.96 0.00 -3.48 -1.98 4.02 -0.02 -4.70 117.16 113.96 1xhx n TYR 101 Ca -0.13 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.60 1xhx n TYR 101 Cb 0.52 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 1xhx n TYR 101 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1xhx s MET 102 N -2.00 1.15 -0.28 -0.72 -2.45 -1.14 -3.39 119.30 110.47 1xhx s MET 102 Ca -0.00 -0.05 -0.01 0.00 -1.25 0.00 0.00 55.69 54.38 1xhx s MET 102 Cb 0.00 0.53 0.09 0.00 1.25 0.00 0.00 34.83 36.70 1xhx s MET 102 CO 0.00 -0.42 0.07 0.42 1.05 0.00 0.00 175.02 176.14 1xhx s ILE 103 N -2.26 0.90 -0.41 10.11 1.01 -0.76 -1.05 121.20 128.74 1xhx s ILE 103 Ca -0.06 -1.22 -0.20 0.00 0.00 0.00 0.00 60.65 59.17 1xhx s ILE 103 Cb -0.00 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1xhx s ILE 103 CO 0.00 -0.51 0.62 -0.62 0.00 0.00 0.00 174.94 174.43 1xhx s ASP 104 N 1.63 6.34 -1.01 3.58 3.68 0.13 -2.42 116.67 128.61 1xhx s ASP 104 Ca 0.06 -0.22 -0.10 0.00 2.13 0.00 0.00 52.55 54.41 1xhx s ASP 104 Cb -0.17 -2.31 0.26 0.00 -1.45 0.00 0.00 42.92 39.24 1xhx s ASP 104 CO -0.19 -0.70 0.98 -0.63 0.13 0.00 0.00 175.17 174.76 1xhx s ILE 105 N 2.72 5.78 -0.13 4.11 1.01 -0.68 0.13 121.20 134.14 1xhx s ILE 105 Ca 0.22 -3.14 -0.29 0.00 0.00 0.00 0.00 60.65 57.43 1xhx s ILE 105 Cb -0.14 -4.51 -0.02 0.00 0.01 0.00 0.00 42.46 37.80 1xhx s ILE 105 CO 0.17 -1.13 1.21 0.00 0.00 0.00 0.00 174.94 175.20 1xhx n LEU 107 N 6.03 2.34 0.00 0.00 4.77 -0.86 -2.29 117.00 126.98 1xhx n LEU 107 Ca 0.12 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1xhx n LEU 107 Cb 0.46 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1xhx n LEU 107 CO 0.55 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 1xhx n GLY 108 N 1.74 -0.27 3.72 -0.72 0.00 -1.18 -2.17 105.19 106.32 1xhx n GLY 108 Ca -0.37 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1xhx n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhx s TYR 109 N -2.00 3.16 -0.49 1.61 1.51 -1.26 -1.35 117.35 118.53 1xhx s TYR 109 Ca 0.00 0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.23 1xhx s TYR 109 Cb 0.00 -1.70 0.14 0.00 -0.11 0.00 0.00 41.96 40.28 1xhx s TYR 109 CO 0.00 0.50 0.27 0.15 -1.11 0.00 0.00 175.55 175.36 1xhx s LYS 110 N -1.59 1.63 -0.50 -0.62 1.02 -0.65 -4.90 119.74 114.13 1xhx s LYS 110 Ca 0.20 -2.35 -0.14 0.00 0.02 0.00 0.00 55.97 53.70 1xhx s LYS 110 Cb -0.12 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1xhx s LYS 110 CO 0.11 -1.16 0.62 0.41 -0.92 0.00 0.00 175.35 174.42 1xhx n GLY 111 N 3.24 -1.24 4.82 -3.33 0.00 -1.26 -3.22 105.19 104.21 1xhx n GLY 111 Ca 0.09 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.21 1xhx n GLY 111 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xhx n LYS 112 N -0.60 0.00 -3.49 1.61 3.00 -1.26 -4.91 118.16 112.50 1xhx n LYS 112 Ca 0.08 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.03 1xhx n LYS 112 Cb 0.48 -3.20 -0.07 0.00 0.00 0.00 0.00 35.03 32.24 1xhx n LYS 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1xhx s ARG 113 N 0.00 4.27 -0.29 1.64 0.52 -1.20 -5.04 118.95 118.85 1xhx s ARG 113 Ca 0.00 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.07 1xhx s ARG 113 Cb 0.00 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 32.04 1xhx s ARG 113 CO 0.00 0.21 1.19 0.21 0.02 0.00 0.00 175.30 176.93 1xhx s LYS 114 N 0.54 4.02 -0.29 3.54 2.20 -1.26 -1.64 119.74 126.84 1xhx s LYS 114 Ca 0.18 1.22 -0.16 0.00 -0.36 0.00 0.00 55.97 56.85 1xhx s LYS 114 Cb -0.13 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1xhx s LYS 114 CO 0.05 -0.97 0.42 0.42 -0.36 0.00 0.00 175.35 174.91 1xhx s ILE 115 N 3.94 5.13 0.00 5.43 -1.09 -0.46 -4.99 121.20 129.16 1xhx s ILE 115 Ca 0.51 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 1xhx s ILE 115 Cb -0.15 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1xhx s ILE 115 CO 0.19 0.04 0.00 0.00 -1.23 0.00 0.00 174.94 173.93 1xhx n HIS 116 N 5.45 -0.42 -3.81 3.97 1.44 -1.26 -2.04 115.22 118.54 1xhx n HIS 116 Ca -0.07 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.50 1xhx n HIS 116 Cb 0.50 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.46 1xhx n HIS 116 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1xhx s THR 117 N -2.98 -0.03 0.02 0.61 2.01 -1.12 -3.93 115.64 110.23 1xhx s THR 117 Ca 0.00 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.19 1xhx s THR 117 Cb 0.00 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.41 1xhx s THR 117 CO 0.00 0.05 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.06 1xhx s VAL 118 N 0.57 2.38 -0.11 3.82 1.01 -0.71 -1.69 120.40 125.67 1xhx s VAL 118 Ca -0.05 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.74 1xhx s VAL 118 Cb -0.07 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1xhx s VAL 118 CO -0.02 0.42 -0.22 -0.63 0.00 0.00 0.00 175.10 174.65 1xhx s ILE 119 N -0.80 1.96 0.30 2.22 1.01 -1.01 0.17 121.20 125.05 1xhx s ILE 119 Ca 0.12 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 59.91 1xhx s ILE 119 Cb -0.10 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1xhx s ILE 119 CO 0.02 0.54 -0.11 -0.31 0.00 0.00 0.00 174.94 175.08 1xhx s TYR 120 N 0.54 2.18 -0.52 3.97 1.51 0.19 -1.84 117.35 123.38 1xhx s TYR 120 Ca -0.15 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.24 1xhx s TYR 120 Cb -0.17 -1.17 0.13 0.00 -0.11 0.00 0.00 41.96 40.64 1xhx s TYR 120 CO 0.05 0.50 0.46 0.34 -1.11 0.00 0.00 175.55 175.78 1xhx s ASP 121 N -3.51 6.05 0.51 2.29 2.15 -1.22 -1.58 116.67 121.35 1xhx s ASP 121 Ca 0.30 -1.85 0.28 0.00 0.43 0.00 0.00 52.55 51.71 1xhx s ASP 121 Cb 0.01 -2.15 1.53 0.00 -0.30 0.00 0.00 42.92 42.01 1xhx s ASP 121 CO 0.14 -0.80 1.84 0.77 -0.17 0.00 0.00 175.17 176.94 1xhx h SER 122 N 8.73 0.00 0.26 -0.34 4.64 -1.52 -0.03 113.55 125.29 1xhx h SER 122 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1xhx h SER 122 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1xhx h SER 122 CO 0.98 0.00 -0.10 0.25 -0.87 0.00 0.00 176.83 177.09 1xhx h LEU 123 N 0.00 0.00 -0.66 5.97 5.85 -1.74 -0.11 115.31 124.61 1xhx h LEU 123 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1xhx h LEU 123 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1xhx h LEU 123 CO 0.00 0.10 -0.40 0.11 -0.34 0.00 0.00 178.44 177.90 1xhx h LYS 124 N 0.00 0.00 0.07 1.25 1.79 -1.27 -2.88 116.57 115.53 1xhx h LYS 124 Ca -0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.12 1xhx h LYS 124 Cb 0.25 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1xhx h LYS 124 CO 0.01 0.40 -1.96 1.63 -1.08 0.00 0.00 179.45 178.46 1xhx n LYS 125 N -3.41 0.71 -3.72 3.15 5.02 -0.54 -2.11 118.16 117.27 1xhx n LYS 125 Ca 0.01 0.25 -0.28 0.00 -2.02 0.00 0.00 58.31 56.27 1xhx n LYS 125 Cb 0.57 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1xhx n LYS 125 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xhx n LEU 126 N -3.30 1.96 -1.86 -0.35 4.77 -0.17 -4.41 117.00 113.64 1xhx n LEU 126 Ca -0.28 -4.96 0.00 0.00 -0.03 0.00 0.00 56.01 50.73 1xhx n LEU 126 Cb 1.05 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1xhx n LEU 126 CO 0.42 1.81 0.00 -2.65 -1.33 0.00 0.00 177.39 175.64 1xhx n PRO 127 N 2.16 0.00 -3.83 3.23 -0.02 -1.09 -4.60 135.00 130.85 1xhx n PRO 127 Ca 0.23 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 1xhx n PRO 127 Cb 0.39 -1.00 -0.08 0.00 -0.02 0.00 0.00 33.50 32.79 1xhx n PRO 127 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1xhx s PHE 128 N 0.81 0.04 0.72 6.00 0.40 -1.26 -5.12 117.98 119.57 1xhx s PHE 128 Ca 0.00 -0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 55.90 1xhx s PHE 128 Cb 0.00 -0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.55 1xhx s PHE 128 CO 0.00 -0.45 1.22 -2.30 0.70 0.00 0.00 175.22 174.39 1xhx n PRO 129 N 0.59 0.66 -0.35 0.24 -0.02 -1.26 -4.72 135.00 130.14 1xhx n PRO 129 Ca -0.18 0.29 0.14 0.00 -2.02 0.00 0.00 63.50 61.72 1xhx n PRO 129 Cb 0.59 -2.46 0.33 0.00 -0.02 0.00 0.00 33.50 31.94 1xhx n PRO 129 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xhx h VAL 130 N -0.15 0.68 -0.37 -1.45 2.07 -1.96 -1.47 116.25 113.61 1xhx h VAL 130 Ca -0.49 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 66.62 1xhx h VAL 130 Cb 1.32 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1xhx h VAL 130 CO 0.49 0.14 -0.41 0.11 0.02 0.00 0.00 177.57 177.92 1xhx h LYS 131 N 0.74 0.93 -0.39 1.57 1.79 -2.00 -2.27 116.57 116.95 1xhx h LYS 131 Ca 0.59 -0.51 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 1xhx h LYS 131 Cb 0.94 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1xhx h LYS 131 CO -0.39 1.16 0.05 -0.22 -1.08 0.00 0.00 179.45 178.97 1xhx h LYS 132 N 0.75 0.66 -0.92 3.15 3.64 -1.69 -1.30 116.57 120.86 1xhx h LYS 132 Ca 0.05 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1xhx h LYS 132 Cb 1.01 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1xhx h LYS 132 CO 0.10 0.72 0.60 0.82 -2.27 0.00 0.00 179.45 179.41 1xhx h ILE 133 N 0.50 1.15 0.05 2.00 2.04 -1.30 0.12 117.51 122.06 1xhx h ILE 133 Ca 0.12 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1xhx h ILE 133 Cb 0.39 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1xhx h ILE 133 CO 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 178.15 178.35 1xhx h ALA 134 N 1.38 -0.06 -0.64 1.87 0.00 -1.07 0.14 119.26 120.88 1xhx h ALA 134 Ca 0.37 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1xhx h ALA 134 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xhx h ALA 134 CO -0.12 -0.42 0.09 -0.22 0.00 0.00 0.00 179.25 178.58 1xhx h LYS 135 N -0.30 1.07 0.00 0.00 3.64 -1.02 0.33 116.57 120.29 1xhx h LYS 135 Ca -0.01 -0.29 -0.14 0.00 -1.27 0.00 0.00 60.65 58.94 1xhx h LYS 135 Cb 0.27 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1xhx h LYS 135 CO 0.01 1.00 -0.68 -0.44 -2.27 0.00 0.00 179.45 177.06 1xhx h ASP 136 N 0.98 0.00 0.21 4.20 5.19 -0.75 -3.02 116.42 123.24 1xhx h ASP 136 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1xhx h ASP 136 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1xhx h ASP 136 CO 0.01 0.68 -0.54 0.49 -3.12 0.00 0.00 179.24 176.76 1xhx n PHE 137 N -3.66 0.00 -3.28 4.55 3.01 0.49 -3.86 117.46 114.70 1xhx n PHE 137 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1xhx n PHE 137 Cb 0.68 -0.11 0.07 0.00 -0.01 0.00 0.00 39.48 40.12 1xhx n PHE 137 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xhx n LYS 138 N -0.97 -5.97 -4.19 -1.08 5.02 0.60 -3.93 118.16 107.64 1xhx n LYS 138 Ca 0.08 0.70 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 1xhx n LYS 138 Cb 0.36 -5.30 -0.09 0.00 -0.02 0.00 0.00 35.03 29.99 1xhx n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xhx s LEU 139 N -5.87 3.77 0.11 -0.35 1.43 0.84 -5.02 118.68 113.59 1xhx s LEU 139 Ca 0.21 0.18 -0.36 0.00 -1.03 0.00 0.00 54.13 53.13 1xhx s LEU 139 Cb -0.09 -1.90 -0.16 0.00 0.03 0.00 0.00 46.19 44.07 1xhx s LEU 139 CO 0.60 0.33 1.39 0.41 0.23 0.00 0.00 176.35 179.31 1xhx n THR 140 N 2.51 0.05 -3.76 5.49 -1.04 -1.26 -4.54 114.28 111.73 1xhx n THR 140 Ca -0.18 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 1xhx n THR 140 Cb 0.53 -1.00 -0.15 0.00 -1.82 0.00 0.00 70.33 67.90 1xhx n THR 140 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xhx s VAL 141 N 0.55 -0.05 0.29 12.58 0.11 -1.26 -4.88 120.40 127.75 1xhx s VAL 141 Ca 0.82 0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 59.75 1xhx s VAL 141 Cb -0.88 -0.20 -0.10 0.00 -1.53 0.00 0.00 36.38 33.67 1xhx s VAL 141 CO 0.45 0.07 1.15 -0.76 -3.33 0.00 0.00 175.10 172.68 1xhx s LEU 142 N 1.02 4.52 -0.06 2.54 1.43 -1.26 -5.01 118.68 121.86 1xhx s LEU 142 Ca -0.08 2.37 -0.28 0.00 -1.03 0.00 0.00 54.13 55.11 1xhx s LEU 142 Cb -0.10 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1xhx s LEU 142 CO -0.05 -0.24 0.90 -0.54 0.23 0.00 0.00 176.35 176.65 1xhx s LYS 143 N -1.52 4.47 0.00 1.70 1.02 -1.26 -4.86 119.74 119.29 1xhx s LYS 143 Ca 0.46 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.67 1xhx s LYS 143 Cb -0.34 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1xhx s LYS 143 CO 0.44 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1xhx n GLY 144 N 3.06 0.32 3.62 -3.33 0.00 -1.26 -5.11 105.19 102.49 1xhx n GLY 144 Ca 0.04 -2.18 -0.04 0.00 0.00 0.00 0.00 46.02 43.84 1xhx n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xhx s ASP 145 N -4.00 -0.20 0.42 1.61 -1.08 -1.26 -5.15 116.67 107.01 1xhx s ASP 145 Ca 0.00 -0.14 -0.24 0.00 -0.52 0.00 0.00 52.55 51.64 1xhx s ASP 145 Cb 0.00 0.31 -0.08 0.00 -1.46 0.00 0.00 42.92 41.69 1xhx s ASP 145 CO 0.00 -0.55 1.16 -0.63 0.52 0.00 0.00 175.17 175.68 1xhx s ILE 146 N -2.87 3.16 -0.71 4.11 1.01 -1.26 -4.95 121.20 119.70 1xhx s ILE 146 Ca 0.10 0.94 -0.27 0.00 0.00 0.00 0.00 60.65 61.42 1xhx s ILE 146 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1xhx s ILE 146 CO -0.04 0.05 1.23 -0.62 0.00 0.00 0.00 174.94 175.56 1xhx s ASP 147 N -1.21 6.19 0.00 3.58 -1.08 -1.26 -4.84 116.67 118.05 1xhx s ASP 147 Ca 0.59 -0.46 0.28 0.00 -0.52 0.00 0.00 52.55 52.44 1xhx s ASP 147 Cb -0.30 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.27 1xhx s ASP 147 CO 0.37 -1.75 2.03 -1.22 0.52 0.00 0.00 175.17 175.12 1xhx n TYR 148 N 9.06 0.00 -2.28 -5.34 4.02 -1.26 -3.86 117.16 117.50 1xhx n TYR 148 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.57 1xhx n TYR 148 Cb 0.49 -0.06 0.02 0.00 -0.02 0.00 0.00 39.34 39.76 1xhx n TYR 148 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1xhx n HIS 149 N -1.06 3.21 -3.73 -0.72 -0.00 -1.26 -4.91 115.22 106.74 1xhx n HIS 149 Ca 0.20 -2.77 -0.12 0.00 0.46 0.00 0.00 57.72 55.48 1xhx n HIS 149 Cb 0.12 -0.72 -0.12 0.00 -0.12 0.00 0.00 29.99 29.16 1xhx n HIS 149 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1xhx s LYS 150 N -3.86 0.31 0.41 1.57 1.02 -1.25 -5.15 119.74 112.79 1xhx s LYS 150 Ca 0.49 0.56 -0.26 0.00 0.02 0.00 0.00 55.97 56.79 1xhx s LYS 150 Cb 0.39 0.01 -0.10 0.00 -0.52 0.00 0.00 37.83 37.60 1xhx s LYS 150 CO -0.29 -0.12 1.27 -1.91 -0.92 0.00 0.00 175.35 173.38 1xhx n GLU 151 N 3.79 1.95 -3.40 1.68 2.13 -1.26 -5.00 120.64 120.53 1xhx n GLU 151 Ca -0.21 0.69 -0.27 0.00 0.66 0.00 0.00 57.16 58.04 1xhx n GLU 151 Cb 0.55 -2.36 -0.10 0.00 0.27 0.00 0.00 31.44 29.80 1xhx n GLU 151 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1xhx s ARG 152 N -2.14 0.75 0.65 5.31 0.52 -1.26 -5.12 118.95 117.67 1xhx s ARG 152 Ca 0.60 -1.71 -0.18 0.00 -0.52 0.00 0.00 55.73 53.92 1xhx s ARG 152 Cb -0.52 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.65 1xhx s ARG 152 CO 0.59 -1.31 1.28 -2.14 0.02 0.00 0.00 175.30 173.74 1xhx s PRO 153 N 0.55 2.56 0.22 3.54 0.02 -1.26 -4.78 135.00 135.84 1xhx s PRO 153 Ca 0.26 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 62.98 1xhx s PRO 153 Cb -0.08 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 32.44 1xhx s PRO 153 CO -0.11 -1.58 1.09 0.28 -0.33 0.00 0.00 177.00 176.36 1xhx n VAL 154 N -1.95 1.34 -0.88 3.83 0.31 -1.26 -0.02 118.33 119.70 1xhx n VAL 154 Ca 0.15 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1xhx n VAL 154 Cb 0.48 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 1xhx n VAL 154 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xhx n GLY 155 N 1.73 0.50 3.62 2.92 0.00 -1.26 -5.00 105.19 107.70 1xhx n GLY 155 Ca 0.13 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1xhx n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xhx n TYR 156 N -2.88 1.01 -3.32 1.61 9.36 0.98 -4.96 117.16 118.96 1xhx n TYR 156 Ca 0.00 0.48 -0.40 0.00 3.32 0.00 0.00 57.90 61.30 1xhx n TYR 156 Cb 0.00 -2.18 -0.08 0.00 -0.63 0.00 0.00 39.34 36.44 1xhx n TYR 156 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1xhx s LYS 157 N -2.45 3.91 -0.00 2.98 -2.85 -1.26 -4.98 119.74 115.10 1xhx s LYS 157 Ca 0.70 0.04 -0.30 0.00 -1.00 0.00 0.00 55.97 55.41 1xhx s LYS 157 Cb -0.47 -3.70 -0.06 0.00 -2.06 0.00 0.00 37.83 31.54 1xhx s LYS 157 CO 0.52 -0.39 1.52 0.42 0.10 0.00 0.00 175.35 177.52 1xhx s ILE 158 N 2.20 3.53 0.81 3.79 1.01 -1.26 -5.00 121.20 126.27 1xhx s ILE 158 Ca 0.17 0.86 -0.12 0.00 0.00 0.00 0.00 60.65 61.56 1xhx s ILE 158 Cb -0.16 -3.55 0.08 0.00 0.01 0.00 0.00 42.46 38.84 1xhx s ILE 158 CO 0.11 -0.02 1.12 0.42 0.00 0.00 0.00 174.94 176.56 1xhx s THR 159 N 2.93 2.70 0.16 2.92 -4.23 -1.26 -4.92 115.64 113.94 1xhx s THR 159 Ca 0.68 0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 61.28 1xhx s THR 159 Cb -0.34 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.48 1xhx s THR 159 CO 0.28 -0.30 1.73 -0.65 -0.54 0.00 0.00 174.62 175.15 1xhx h PRO 160 N -1.10 0.73 -0.18 3.99 0.11 -2.00 -2.49 132.00 131.07 1xhx h PRO 160 Ca -0.47 -0.11 0.04 0.00 0.11 0.00 0.00 66.00 65.56 1xhx h PRO 160 Cb 1.29 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1xhx h PRO 160 CO 0.62 0.62 -0.06 0.93 -0.21 0.00 0.00 178.00 179.90 1xhx h GLU 161 N 0.67 -0.02 0.00 1.05 3.07 -2.00 -0.31 114.58 117.04 1xhx h GLU 161 Ca 0.17 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1xhx h GLU 161 Cb 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1xhx h GLU 161 CO -0.02 -0.01 -0.03 0.93 -1.40 0.00 0.00 179.01 178.48 1xhx h GLU 162 N -0.02 0.00 0.27 2.33 5.08 -1.92 -1.69 114.58 118.63 1xhx h GLU 162 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xhx h GLU 162 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xhx h GLU 162 CO -0.20 0.03 -0.13 -0.92 -1.00 0.00 0.00 179.01 176.79 1xhx h TYR 163 N 0.00 -0.33 -0.05 4.33 3.20 -0.61 -1.54 116.97 121.97 1xhx h TYR 163 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1xhx h TYR 163 Cb 0.08 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1xhx h TYR 163 CO 0.00 -0.06 -0.37 0.00 -1.64 0.00 0.00 178.16 176.08 1xhx h ALA 164 N 0.09 -0.54 -0.66 1.82 0.00 -0.66 0.78 119.26 120.08 1xhx h ALA 164 Ca -0.04 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1xhx h ALA 164 Cb 0.42 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1xhx h ALA 164 CO 0.06 -0.89 0.25 1.88 0.00 0.00 0.00 179.25 180.55 1xhx h TYR 165 N -0.50 0.42 -0.34 0.00 0.99 -1.40 0.25 116.97 116.39 1xhx h TYR 165 Ca 0.07 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 1xhx h TYR 165 Cb 0.61 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 38.24 1xhx h TYR 165 CO -0.41 0.08 -0.01 0.82 -0.00 0.00 0.00 178.16 178.64 1xhx h ILE 166 N 0.41 1.26 -0.39 -2.88 2.04 -0.55 -1.61 117.51 115.78 1xhx h ILE 166 Ca 0.35 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1xhx h ILE 166 Cb 0.47 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1xhx h ILE 166 CO -0.35 0.33 0.13 0.50 0.00 0.00 0.00 178.15 178.76 1xhx h LYS 167 N 0.40 0.61 -0.26 2.37 3.64 -0.18 -2.71 116.57 120.44 1xhx h LYS 167 Ca 0.09 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1xhx h LYS 167 Cb 0.47 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1xhx h LYS 167 CO 0.02 0.60 0.02 -0.97 -2.27 0.00 0.00 179.45 176.85 1xhx h ASN 168 N 0.49 -0.06 -0.43 4.20 -0.00 -0.47 0.95 115.58 120.26 1xhx h ASN 168 Ca 0.13 0.05 0.07 0.00 -0.00 0.00 0.00 56.30 56.55 1xhx h ASN 168 Cb 0.24 0.09 -0.06 0.00 -0.00 0.00 0.00 38.32 38.59 1xhx h ASN 168 CO -0.01 0.00 0.09 0.44 -0.00 0.00 0.00 177.43 177.96 1xhx h ASP 169 N 0.11 0.02 1.01 1.15 3.32 -1.12 -0.76 116.42 120.15 1xhx h ASP 169 Ca 0.12 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1xhx h ASP 169 Cb 0.15 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1xhx h ASP 169 CO -0.19 0.04 -0.72 0.16 -1.72 0.00 0.00 179.24 176.81 1xhx h ILE 170 N 0.23 1.34 -0.23 0.35 3.07 -1.26 -3.25 117.51 117.76 1xhx h ILE 170 Ca 0.21 -2.61 -0.16 0.00 1.55 0.00 0.00 64.86 63.85 1xhx h ILE 170 Cb 0.26 2.48 -0.01 0.00 -0.27 0.00 0.00 36.82 39.28 1xhx h ILE 170 CO -0.27 0.70 -0.50 -0.61 -1.05 0.00 0.00 178.15 176.41 1xhx h GLN 171 N 0.00 0.64 -0.00 0.16 4.15 -0.33 -0.94 115.11 118.78 1xhx h GLN 171 Ca -0.01 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1xhx h GLN 171 Cb 1.42 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.14 1xhx h GLN 171 CO 0.09 0.99 -0.00 0.82 -1.93 0.00 0.00 178.83 178.80 1xhx h ILE 172 N 0.50 0.99 0.00 2.39 2.04 -1.20 0.18 117.51 122.42 1xhx h ILE 172 Ca 0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1xhx h ILE 172 Cb 1.05 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1xhx h ILE 172 CO 0.10 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.30 1xhx h ILE 173 N -0.00 1.17 -0.06 -0.67 1.08 -1.58 -1.64 117.51 115.80 1xhx h ILE 173 Ca 0.00 -1.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 1xhx h ILE 173 Cb 0.01 1.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1xhx h ILE 173 CO -0.00 0.34 0.01 0.00 -0.69 0.00 0.00 178.15 177.81 1xhx h ALA 174 N 1.65 0.09 -0.19 1.87 0.00 -0.32 -1.06 119.26 121.30 1xhx h ALA 174 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1xhx h ALA 174 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xhx h ALA 174 CO 0.05 -0.27 0.05 0.93 0.00 0.00 0.00 179.25 180.00 1xhx h GLU 175 N -0.14 0.30 -0.70 0.00 5.08 -0.42 -1.99 114.58 116.70 1xhx h GLU 175 Ca 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1xhx h GLU 175 Cb 0.28 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1xhx h GLU 175 CO 0.00 0.42 0.39 0.00 -1.00 0.00 0.00 179.01 178.83 1xhx h ALA 176 N 0.86 0.90 -0.38 3.43 0.00 -1.32 -2.70 119.26 120.05 1xhx h ALA 176 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xhx h ALA 176 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xhx h ALA 176 CO -0.00 0.41 0.07 -0.07 0.00 0.00 0.00 179.25 179.65 1xhx h LEU 177 N 0.96 0.59 -0.57 0.00 3.38 -1.13 -3.06 115.31 115.49 1xhx h LEU 177 Ca 0.25 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1xhx h LEU 177 Cb 0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1xhx h LEU 177 CO -0.04 0.70 0.10 0.25 0.09 0.00 0.00 178.44 179.53 1xhx h LEU 178 N 0.46 -0.04 -0.79 1.67 5.85 -1.14 -0.71 115.31 120.61 1xhx h LEU 178 Ca 0.11 0.11 0.15 0.00 0.84 0.00 0.00 57.88 59.09 1xhx h LEU 178 Cb 0.35 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 1xhx h LEU 178 CO 0.01 -0.00 0.33 0.40 -0.34 0.00 0.00 178.44 178.84 1xhx h ILE 179 N 0.23 0.65 -0.12 4.05 2.04 -1.38 0.52 117.51 123.50 1xhx h ILE 179 Ca 0.29 -0.16 -0.23 0.00 1.00 0.00 0.00 64.86 65.76 1xhx h ILE 179 Cb 0.43 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1xhx h ILE 179 CO -0.39 0.09 -0.83 -0.61 0.00 0.00 0.00 178.15 176.41 1xhx h GLN 180 N 0.47 0.75 -0.47 2.37 4.15 -1.25 -3.25 115.11 117.88 1xhx h GLN 180 Ca 0.44 -0.65 -0.08 0.00 0.77 0.00 0.00 58.65 59.13 1xhx h GLN 180 Cb 0.67 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1xhx h GLN 180 CO -0.41 1.25 -0.04 0.74 -1.93 0.00 0.00 178.83 178.44 1xhx h PHE 181 N 0.50 0.87 -0.02 3.99 -1.00 -0.40 -2.21 116.94 118.67 1xhx h PHE 181 Ca -0.07 -0.14 0.01 0.00 2.81 0.00 0.00 57.97 60.58 1xhx h PHE 181 Cb 1.46 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 40.78 1xhx h PHE 181 CO 0.09 0.83 0.07 0.87 -1.61 0.00 0.00 178.31 178.55 1xhx h LYS 182 N 0.75 0.00 -0.62 1.51 1.57 -0.96 0.03 116.57 118.85 1xhx h LYS 182 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xhx h LYS 182 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1xhx h LYS 182 CO 0.03 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.95 1xhx n GLN 183 N -3.32 2.62 -0.99 3.15 6.02 -0.86 -4.91 117.38 119.08 1xhx n GLN 183 Ca -0.02 -2.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.71 1xhx n GLN 183 Cb 0.14 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1xhx n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xhx n GLY 184 N 1.38 0.47 3.18 1.08 0.00 -0.00 -4.93 105.19 106.36 1xhx n GLY 184 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1xhx n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xhx n LEU 185 N 0.00 5.91 -1.97 0.99 4.77 -1.01 -4.76 117.00 120.93 1xhx n LEU 185 Ca 0.00 -4.48 -0.19 0.00 -0.03 0.00 0.00 56.01 51.30 1xhx n LEU 185 Cb 0.07 -1.57 0.18 0.00 -2.33 0.00 0.00 43.42 39.77 1xhx n LEU 185 CO 0.00 0.99 1.14 -0.90 -1.33 0.00 0.00 177.39 177.29 1xhx n ASP 186 N 5.10 3.46 -4.92 -1.43 3.85 -1.26 -4.21 116.55 117.13 1xhx n ASP 186 Ca 0.40 -3.66 -0.26 0.00 -0.71 0.00 0.00 54.79 50.56 1xhx n ASP 186 Cb 0.40 -0.79 0.01 0.00 -1.35 0.00 0.00 41.12 39.39 1xhx n ASP 186 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1xhx s ARG 187 N -3.30 3.26 0.29 0.11 1.81 -1.26 -4.99 118.95 114.87 1xhx s ARG 187 Ca 0.54 -0.09 0.05 0.00 -1.72 0.00 0.00 55.73 54.52 1xhx s ARG 187 Cb 0.46 -2.43 0.46 0.00 -0.45 0.00 0.00 34.95 32.99 1xhx s ARG 187 CO 0.08 -0.31 1.72 1.98 -0.68 0.00 0.00 175.30 178.09 1xhx h MET 188 N 0.23 0.31 -6.00 3.54 -1.53 -1.96 -3.45 114.93 106.07 1xhx h MET 188 Ca -0.47 -0.13 -0.54 0.00 -3.44 0.00 0.00 59.70 55.12 1xhx h MET 188 Cb 1.23 -0.01 -0.17 0.00 -0.55 0.00 0.00 31.60 32.11 1xhx h MET 188 CO 0.60 0.63 -0.77 0.95 0.14 0.00 0.00 176.91 178.46 1xhx s THR 189 N -4.27 2.00 0.33 -0.77 -4.23 -1.26 -3.90 115.64 103.54 1xhx s THR 189 Ca -0.05 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1xhx s THR 189 Cb 0.14 -2.01 0.26 0.00 1.34 0.00 0.00 72.50 72.22 1xhx s THR 189 CO 0.78 -0.36 1.99 0.00 -0.54 0.00 0.00 174.62 176.49 1xhx h ALA 190 N 2.92 1.50 -0.29 3.99 0.00 -1.63 -1.12 119.26 124.62 1xhx h ALA 190 Ca -0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1xhx h ALA 190 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1xhx h ALA 190 CO 0.55 0.46 0.15 0.78 0.00 0.00 0.00 179.25 181.18 1xhx h GLY 191 N 0.93 0.44 1.27 0.00 0.00 -1.86 0.23 103.07 104.07 1xhx h GLY 191 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xhx h GLY 191 CO -0.05 0.20 0.44 1.76 0.00 0.00 0.00 176.54 178.89 1xhx h SER 192 N 0.35 0.86 -0.44 0.19 0.02 -1.70 -0.32 113.55 112.51 1xhx h SER 192 Ca 0.10 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1xhx h SER 192 Cb 0.08 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1xhx h SER 192 CO -0.02 0.66 0.02 0.44 -1.14 0.00 0.00 176.83 176.79 1xhx h ASP 193 N 0.99 0.80 -0.15 3.07 3.32 -0.62 -0.64 116.42 123.19 1xhx h ASP 193 Ca 0.26 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1xhx h ASP 193 Cb -0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1xhx h ASP 193 CO -0.05 0.86 -0.08 0.28 -1.72 0.00 0.00 179.24 178.53 1xhx h SER 194 N 0.78 0.33 -0.91 6.45 0.02 -0.01 -1.36 113.55 118.85 1xhx h SER 194 Ca 0.15 -0.42 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1xhx h SER 194 Cb 0.44 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1xhx h SER 194 CO 0.02 0.68 0.59 0.25 -1.14 0.00 0.00 176.83 177.23 1xhx h LEU 195 N -0.02 0.98 -0.23 5.07 5.85 -0.92 0.16 115.31 126.21 1xhx h LEU 195 Ca 0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1xhx h LEU 195 Cb 0.56 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1xhx h LEU 195 CO 0.02 0.68 0.11 0.50 -0.34 0.00 0.00 178.44 179.41 1xhx h LYS 196 N 1.15 0.33 -0.91 1.25 3.64 -1.03 -0.76 116.57 120.23 1xhx h LYS 196 Ca 0.36 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1xhx h LYS 196 Cb 0.00 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1xhx h LYS 196 CO -0.12 0.35 0.59 0.78 -2.27 0.00 0.00 179.45 178.78 1xhx h GLY 197 N 0.23 1.35 1.01 5.01 0.00 -0.50 -0.97 103.07 109.21 1xhx h GLY 197 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1xhx h GLY 197 CO -0.01 0.35 0.56 -2.75 0.00 0.00 0.00 176.54 174.70 1xhx h PHE 198 N 1.12 1.15 -0.31 5.60 3.57 -0.20 -2.10 116.94 125.78 1xhx h PHE 198 Ca 0.37 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.80 1xhx h PHE 198 Cb 0.06 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1xhx h PHE 198 CO -0.02 0.75 -0.17 0.87 -2.23 0.00 0.00 178.31 177.52 1xhx h LYS 199 N 1.22 0.55 -0.84 1.11 1.57 0.09 -2.29 116.57 117.97 1xhx h LYS 199 Ca 0.32 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1xhx h LYS 199 Cb -0.09 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1xhx h LYS 199 CO -0.06 0.69 0.41 -0.44 -0.57 0.00 0.00 179.45 179.48 1xhx h ASP 200 N 0.50 1.10 -0.07 0.86 3.32 -0.56 0.26 116.42 121.81 1xhx h ASP 200 Ca 0.08 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1xhx h ASP 200 Cb 0.58 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xhx h ASP 200 CO 0.04 0.92 -0.69 0.40 -1.72 0.00 0.00 179.24 178.19 1xhx h ILE 201 N 1.20 1.34 -0.02 0.35 2.04 -1.14 -3.32 117.51 117.96 1xhx h ILE 201 Ca 0.29 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1xhx h ILE 201 Cb 0.12 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1xhx h ILE 201 CO -0.04 0.61 -0.32 2.30 0.00 0.00 0.00 178.15 180.70 1xhx n ILE 202 N -4.09 0.00 -0.22 -0.67 -5.35 -0.89 -5.04 119.36 103.09 1xhx n ILE 202 Ca -0.09 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1xhx n ILE 202 Cb 0.70 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.90 1xhx n ILE 202 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1xhx n THR 203 N 0.39 -1.59 0.05 7.28 -2.24 0.90 -4.23 114.28 114.83 1xhx n THR 203 Ca 0.11 0.33 0.14 0.00 -2.27 0.00 0.00 64.05 62.36 1xhx n THR 203 Cb 0.50 -0.63 0.61 0.00 -2.10 0.00 0.00 70.33 68.71 1xhx n THR 203 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1xhx h THR 204 N 0.26 0.87 0.01 4.28 2.02 -1.90 -2.08 112.91 116.38 1xhx h THR 204 Ca 0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1xhx h THR 204 Cb 0.00 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xhx h THR 204 CO 0.00 0.03 -0.01 0.50 0.37 0.00 0.00 175.52 176.41 1xhx h LYS 205 N 0.15 -0.02 -0.45 6.66 3.64 -1.91 -1.76 116.57 122.89 1xhx h LYS 205 Ca 0.19 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1xhx h LYS 205 Cb 0.54 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1xhx h LYS 205 CO -0.03 0.19 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.08 1xhx h LYS 206 N -0.23 0.76 0.07 1.90 3.64 -1.63 -2.94 116.57 118.14 1xhx h LYS 206 Ca -0.00 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1xhx h LYS 206 Cb 0.22 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1xhx h LYS 206 CO 0.00 0.81 -0.26 0.35 -2.27 0.00 0.00 179.45 178.08 1xhx h PHE 207 N 0.70 -0.71 0.00 1.91 3.57 -1.23 0.22 116.94 121.41 1xhx h PHE 207 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1xhx h PHE 207 Cb 0.51 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1xhx h PHE 207 CO 0.03 -0.36 -0.02 0.87 -2.23 0.00 0.00 178.31 176.60 1xhx h LYS 208 N -0.44 0.00 0.11 1.11 1.57 -1.22 0.70 116.57 118.41 1xhx h LYS 208 Ca 0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 1xhx h LYS 208 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1xhx h LYS 208 CO -0.18 0.02 -1.00 -0.22 -0.57 0.00 0.00 179.45 177.49 1xhx h LYS 209 N 0.00 0.24 0.00 3.15 3.64 -1.01 -3.28 116.57 119.31 1xhx h LYS 209 Ca -0.00 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1xhx h LYS 209 Cb 0.07 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1xhx h LYS 209 CO 0.00 1.20 -0.34 -0.39 -2.27 0.00 0.00 179.45 177.65 1xhx h VAL 210 N -0.42 0.04 -2.28 2.00 -1.51 -0.80 -3.36 116.25 109.91 1xhx h VAL 210 Ca -0.20 -1.06 -0.61 0.00 -1.23 0.00 0.00 66.70 63.60 1xhx h VAL 210 Cb 1.62 1.87 -0.41 0.00 -2.13 0.00 0.00 31.29 32.24 1xhx h VAL 210 CO 0.09 0.02 -0.52 0.49 -1.23 0.00 0.00 177.57 176.42 1xhx n PHE 211 N -2.98 3.95 -1.29 5.19 0.99 0.22 0.31 117.46 123.86 1xhx n PHE 211 Ca 0.03 -3.91 -0.33 0.00 -0.00 0.00 0.00 57.45 53.23 1xhx n PHE 211 Cb 0.55 -0.54 0.11 0.00 -1.00 0.00 0.00 39.48 38.59 1xhx n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1xhx s PRO 212 N -3.47 1.95 0.43 -1.08 0.04 -1.24 -4.73 135.00 126.89 1xhx s PRO 212 Ca 0.48 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 1xhx s PRO 212 Cb 0.27 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.90 1xhx s PRO 212 CO -0.13 -1.96 1.13 0.99 0.04 0.00 0.00 177.00 177.07 1xhx s THR 213 N -2.19 3.32 0.29 1.26 2.01 -1.26 -4.91 115.64 114.15 1xhx s THR 213 Ca 0.72 1.02 0.11 0.00 0.31 0.00 0.00 61.69 63.84 1xhx s THR 213 Cb -0.27 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1xhx s THR 213 CO 0.48 0.01 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.57 1xhx s LEU 214 N -2.80 2.85 1.14 4.42 1.43 -1.26 -5.05 118.68 119.41 1xhx s LEU 214 Ca 0.60 -0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 1xhx s LEU 214 Cb -0.27 -1.31 0.26 0.00 0.03 0.00 0.00 46.19 44.90 1xhx s LEU 214 CO 0.33 -0.05 1.06 -0.94 0.23 0.00 0.00 176.35 176.98 1xhx s SER 215 N -3.60 1.37 0.07 2.29 1.04 -1.26 -4.82 113.70 108.78 1xhx s SER 215 Ca 0.32 1.14 -0.22 0.00 0.48 0.00 0.00 55.95 57.66 1xhx s SER 215 Cb -0.04 -1.75 -0.12 0.00 0.10 0.00 0.00 66.02 64.21 1xhx s SER 215 CO 0.17 -3.91 1.59 -0.07 0.98 0.00 0.00 173.24 172.00 1xhx h LEU 216 N -2.42 0.17 -1.16 2.42 3.38 -2.00 -2.74 115.31 112.96 1xhx h LEU 216 Ca -0.55 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.16 1xhx h LEU 216 Cb 1.33 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1xhx h LEU 216 CO 0.49 0.31 -0.23 1.23 0.09 0.00 0.00 178.44 180.34 1xhx h GLY 217 N 0.01 0.34 0.77 0.83 0.00 -2.00 -2.52 103.07 100.49 1xhx h GLY 217 Ca 0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1xhx h GLY 217 CO -0.00 0.23 -0.13 1.41 0.00 0.00 0.00 176.54 178.05 1xhx h LEU 218 N 0.28 0.40 -0.69 3.11 3.38 -1.91 -2.14 115.31 117.74 1xhx h LEU 218 Ca 0.05 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1xhx h LEU 218 Cb 0.56 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1xhx h LEU 218 CO 0.04 0.76 0.43 0.44 0.09 0.00 0.00 178.44 180.20 1xhx h ASP 219 N 0.03 0.69 0.09 -0.43 3.32 -1.42 -1.05 116.42 117.66 1xhx h ASP 219 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xhx h ASP 219 Cb 0.64 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1xhx h ASP 219 CO 0.03 0.48 -0.04 0.50 -1.72 0.00 0.00 179.24 178.49 1xhx h LYS 220 N 0.83 -0.11 -0.77 3.56 3.64 -1.41 -1.09 116.57 121.22 1xhx h LYS 220 Ca 0.28 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1xhx h LYS 220 Cb 0.04 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1xhx h LYS 220 CO -0.12 -0.05 0.51 0.93 -2.27 0.00 0.00 179.45 178.45 1xhx h GLU 221 N -0.15 0.99 -0.47 1.90 5.08 -1.09 -2.26 114.58 118.58 1xhx h GLU 221 Ca -0.01 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1xhx h GLU 221 Cb 0.12 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1xhx h GLU 221 CO 0.02 0.65 -0.06 0.28 -1.00 0.00 0.00 179.01 178.90 1xhx h VAL 222 N 1.02 1.27 0.00 3.13 2.07 -0.89 -2.75 116.25 120.10 1xhx h VAL 222 Ca 0.29 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1xhx h VAL 222 Cb -0.08 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1xhx h VAL 222 CO -0.07 0.40 -0.07 0.03 0.02 0.00 0.00 177.57 177.88 1xhx h ARG 223 N 0.72 0.00 0.00 1.57 2.47 -0.65 -1.01 114.38 117.48 1xhx h ARG 223 Ca 0.12 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1xhx h ARG 223 Cb 0.60 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1xhx h ARG 223 CO 0.04 0.07 -0.01 1.88 0.56 0.00 0.00 179.97 182.51 1xhx h TYR 224 N 0.00 0.00 -0.24 3.04 0.99 -1.13 -1.86 116.97 117.77 1xhx h TYR 224 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xhx h TYR 224 Cb 0.27 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.00 1xhx h TYR 224 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.17 1xhx n ALA 225 N -2.16 2.45 -1.91 3.88 0.00 -0.38 -4.57 120.51 117.83 1xhx n ALA 225 Ca -0.02 -0.82 -0.35 0.00 0.00 0.00 0.00 53.44 52.24 1xhx n ALA 225 Cb 0.12 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1xhx n ALA 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xhx s TYR 226 N -1.70 3.52 0.07 0.00 5.04 -0.70 -4.69 117.35 118.88 1xhx s TYR 226 Ca 0.35 1.57 -0.18 0.00 -2.44 0.00 0.00 57.07 56.37 1xhx s TYR 226 Cb 0.21 -2.78 0.04 0.00 0.35 0.00 0.00 41.96 39.78 1xhx s TYR 226 CO 0.31 0.12 0.43 1.03 -1.34 0.00 0.00 175.55 176.09 1xhx s ARG 227 N -2.54 0.98 0.00 4.97 1.81 -1.26 -5.08 118.95 117.84 1xhx s ARG 227 Ca 0.53 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 1xhx s ARG 227 Cb -0.14 0.44 0.00 0.00 -0.45 0.00 0.00 34.95 34.80 1xhx s ARG 227 CO 0.19 -0.36 0.00 0.41 -0.68 0.00 0.00 175.30 174.86 1xhx n GLY 228 N 0.26 -0.35 3.70 -3.53 0.00 -1.26 -4.85 105.19 99.16 1xhx n GLY 228 Ca -0.18 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 1xhx n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xhx s GLY 229 N -2.33 1.65 -0.44 -0.02 0.00 -1.26 -4.96 107.32 99.96 1xhx s GLY 229 Ca 0.00 0.24 -0.25 0.00 0.00 0.00 0.00 44.72 44.72 1xhx s GLY 229 CO 0.00 0.68 0.87 -0.12 0.00 0.00 0.00 173.10 174.54 1xhx s PHE 230 N -2.79 2.97 -0.16 1.90 5.36 -1.26 -4.81 117.98 119.18 1xhx s PHE 230 Ca 0.64 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1xhx s PHE 230 Cb -0.20 -3.81 0.03 0.00 -0.34 0.00 0.00 43.02 38.70 1xhx s PHE 230 CO 0.58 -1.01 -0.12 0.99 -1.46 0.00 0.00 175.22 174.19 1xhx s THR 231 N 3.54 1.52 -0.18 0.12 2.01 -1.26 0.00 115.64 121.40 1xhx s THR 231 Ca 0.35 -0.72 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 1xhx s THR 231 Cb -0.11 -1.50 0.05 0.00 0.01 0.00 0.00 72.50 70.95 1xhx s THR 231 CO 0.24 0.34 0.47 0.86 -0.69 0.00 0.00 174.62 175.84 1xhx s TRP 232 N 1.49 -0.55 -0.15 4.92 -0.00 0.08 -4.81 118.94 119.93 1xhx s TRP 232 Ca 0.03 1.30 -0.01 0.00 -0.00 0.00 0.00 56.10 57.41 1xhx s TRP 232 Cb -0.14 0.20 -0.02 0.00 -0.00 0.00 0.00 33.47 33.52 1xhx s TRP 232 CO -0.10 -0.27 -0.10 -1.17 -0.00 0.00 0.00 176.95 175.31 1xhx s LEU 233 N 0.44 2.82 0.10 5.86 2.96 -1.26 -0.74 118.68 128.86 1xhx s LEU 233 Ca -0.02 -0.31 -0.31 0.00 -0.22 0.00 0.00 54.13 53.28 1xhx s LEU 233 Cb -0.04 -1.65 -0.08 0.00 0.50 0.00 0.00 46.19 44.92 1xhx s LEU 233 CO -0.02 0.14 1.49 0.21 -1.32 0.00 0.00 176.35 176.85 1xhx s ASN 234 N 0.51 6.72 0.25 3.68 3.84 0.03 -4.91 114.94 125.07 1xhx s ASN 234 Ca -0.07 2.39 -0.05 0.00 0.21 0.00 0.00 52.86 55.34 1xhx s ASN 234 Cb -0.15 -2.58 0.28 0.00 -0.55 0.00 0.00 41.25 38.25 1xhx s ASN 234 CO 0.04 -0.76 1.92 0.44 -2.79 0.00 0.00 177.10 175.95 1xhx h ASP 235 N 7.30 1.11 0.00 -4.21 3.32 -1.97 -2.24 116.42 119.73 1xhx h ASP 235 Ca -0.42 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1xhx h ASP 235 Cb 1.20 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1xhx h ASP 235 CO 0.90 0.83 0.29 0.08 -1.72 0.00 0.00 179.24 179.62 1xhx h ARG 236 N 1.29 0.00 -0.01 3.56 0.11 -1.97 -0.19 114.38 117.18 1xhx h ARG 236 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 1xhx h ARG 236 Cb -0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.98 1xhx h ARG 236 CO -0.07 0.00 -0.37 1.19 0.10 0.00 0.00 179.97 180.82 1xhx n PHE 237 N -2.57 0.00 -1.68 4.08 3.01 -0.85 -4.95 117.46 114.51 1xhx n PHE 237 Ca -0.02 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.95 1xhx n PHE 237 Cb 0.33 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 1xhx n PHE 237 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1xhx n LYS 238 N -0.40 1.96 -1.70 -1.08 4.81 -0.08 -1.95 118.16 119.71 1xhx n LYS 238 Ca 0.05 0.71 -0.20 0.00 -0.87 0.00 0.00 58.31 58.00 1xhx n LYS 238 Cb 0.28 -2.51 -0.08 0.00 0.02 0.00 0.00 35.03 32.75 1xhx n LYS 238 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xhx n GLU 239 N 5.43 -1.44 -4.47 1.64 1.02 0.10 -4.98 120.64 117.93 1xhx n GLU 239 Ca 0.22 1.18 -0.34 0.00 -0.02 0.00 0.00 57.16 58.19 1xhx n GLU 239 Cb 0.26 -5.58 -0.10 0.00 -0.02 0.00 0.00 31.44 26.00 1xhx n GLU 239 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xhx s LYS 240 N -3.90 2.93 -0.02 3.49 1.02 -0.82 -4.96 119.74 117.48 1xhx s LYS 240 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 1xhx s LYS 240 Cb 0.00 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 1xhx s LYS 240 CO 0.00 0.66 0.96 -2.00 -0.92 0.00 0.00 175.35 174.06 1xhx s GLU 241 N -0.79 4.54 0.31 1.68 2.12 -1.26 -4.14 118.70 121.15 1xhx s GLU 241 Ca 0.12 1.38 0.09 0.00 0.36 0.00 0.00 54.97 56.91 1xhx s GLU 241 Cb -0.11 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 1xhx s GLU 241 CO 0.02 -0.07 -0.10 0.96 -0.54 0.00 0.00 175.26 175.53 1xhx s ILE 242 N 1.10 2.03 0.00 -3.70 -4.36 0.72 -4.98 121.20 112.01 1xhx s ILE 242 Ca 0.50 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1xhx s ILE 242 Cb -0.20 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1xhx s ILE 242 CO 0.26 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.77 1xhx n GLY 243 N -0.68 0.88 3.77 6.27 0.00 -1.26 -1.72 105.19 112.46 1xhx n GLY 243 Ca -0.05 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1xhx n GLY 243 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xhx s GLU 244 N 0.00 3.67 0.24 1.61 2.02 -1.13 -3.48 118.70 121.63 1xhx s GLU 244 Ca 0.00 1.77 -0.22 0.00 0.02 0.00 0.00 54.97 56.54 1xhx s GLU 244 Cb 0.00 -2.34 0.06 0.00 0.10 0.00 0.00 34.13 31.94 1xhx s GLU 244 CO 0.00 -0.62 0.89 0.20 0.02 0.00 0.00 175.26 175.75 1xhx s GLY 245 N -1.40 0.01 0.05 -1.39 0.00 -0.93 -0.94 107.32 102.71 1xhx s GLY 245 Ca 0.65 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 1xhx s GLY 245 CO 0.34 0.46 0.06 -3.16 0.00 0.00 0.00 173.10 170.80 1xhx s MET 246 N -2.95 0.60 -0.02 2.90 0.23 0.20 -0.16 119.30 120.09 1xhx s MET 246 Ca 0.15 -0.91 0.08 0.00 -1.03 0.00 0.00 55.69 53.98 1xhx s MET 246 Cb -0.03 0.23 -0.02 0.00 -1.53 0.00 0.00 34.83 33.47 1xhx s MET 246 CO 0.06 -0.14 -0.26 0.08 -2.03 0.00 0.00 175.02 172.73 1xhx s VAL 247 N -3.06 2.04 -0.07 5.16 1.01 0.12 -0.78 120.40 124.81 1xhx s VAL 247 Ca -0.01 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1xhx s VAL 247 Cb 0.02 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1xhx s VAL 247 CO -0.07 0.56 -0.21 -0.36 0.00 0.00 0.00 175.10 175.02 1xhx s PHE 248 N -0.62 2.18 -0.06 5.22 0.40 -0.52 -1.09 117.98 123.50 1xhx s PHE 248 Ca 0.10 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1xhx s PHE 248 Cb -0.10 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1xhx s PHE 248 CO -0.01 -0.28 -0.17 -0.51 0.70 0.00 0.00 175.22 174.95 1xhx s ASP 249 N 0.17 2.23 0.23 1.36 1.11 -0.18 -1.30 116.67 120.29 1xhx s ASP 249 Ca -0.10 -0.37 -0.30 0.00 0.18 0.00 0.00 52.55 51.96 1xhx s ASP 249 Cb -0.15 -0.76 -0.09 0.00 1.07 0.00 0.00 42.92 42.99 1xhx s ASP 249 CO 0.05 0.13 1.17 -0.69 1.18 0.00 0.00 175.17 177.02 1xhx s VAL 250 N 0.21 3.46 -0.36 -1.27 1.01 -0.28 0.28 120.40 123.45 1xhx s VAL 250 Ca -0.08 1.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1xhx s VAL 250 Cb -0.13 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1xhx s VAL 250 CO 0.03 0.26 1.36 0.20 0.00 0.00 0.00 175.10 176.96 1xhx s ASN 251 N -0.28 6.49 -0.64 3.32 0.01 -0.68 -4.01 114.94 119.14 1xhx s ASN 251 Ca 0.49 0.99 -0.13 0.00 -0.71 0.00 0.00 52.86 53.51 1xhx s ASN 251 Cb -0.33 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.81 1xhx s ASN 251 CO 0.40 -1.28 0.64 -1.20 -1.51 0.00 0.00 177.10 174.15 1xhx n SER 252 N 8.28 -6.37 -0.03 -1.22 7.64 -1.26 -1.70 113.62 118.96 1xhx n SER 252 Ca 0.16 -0.25 -0.09 0.00 1.01 0.00 0.00 58.87 59.70 1xhx n SER 252 Cb 0.47 -3.33 -0.02 0.00 -1.01 0.00 0.00 64.21 60.32 1xhx n SER 252 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xhx h LEU 253 N 0.92 -0.73 -0.01 -3.43 5.85 -1.96 -1.05 115.31 114.90 1xhx h LEU 253 Ca -0.33 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1xhx h LEU 253 Cb 1.22 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1xhx h LEU 253 CO 0.28 -0.27 -0.26 1.88 -0.34 0.00 0.00 178.44 179.73 1xhx h TYR 254 N -0.26 0.29 -0.46 1.25 -1.99 -1.96 -2.56 116.97 111.29 1xhx h TYR 254 Ca 0.12 -0.15 0.08 0.00 2.00 0.00 0.00 58.73 60.79 1xhx h TYR 254 Cb 0.44 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.11 1xhx h TYR 254 CO -0.37 0.93 0.31 -1.35 -0.00 0.00 0.00 178.16 177.68 1xhx h PRO 255 N -0.43 0.26 -0.36 4.88 0.11 -1.87 -0.51 132.00 134.08 1xhx h PRO 255 Ca -0.03 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1xhx h PRO 255 Cb 0.99 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1xhx h PRO 255 CO 0.05 0.17 -0.19 0.00 -0.21 0.00 0.00 178.00 177.83 1xhx h ALA 256 N 1.76 1.00 -0.26 -0.75 0.00 -1.13 0.16 119.26 120.05 1xhx h ALA 256 Ca 0.21 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1xhx h ALA 256 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xhx h ALA 256 CO -0.04 0.59 -0.56 1.96 0.00 0.00 0.00 179.25 181.20 1xhx h GLN 257 N 0.60 0.84 -0.08 0.00 1.08 -0.72 -3.04 115.11 113.79 1xhx h GLN 257 Ca 0.09 -0.56 -0.04 0.00 -1.45 0.00 0.00 58.65 56.70 1xhx h GLN 257 Cb 0.65 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1xhx h GLN 257 CO 0.05 1.18 -0.15 0.52 -0.95 0.00 0.00 178.83 179.48 1xhx h MET 258 N 0.60 0.12 -0.02 1.46 2.86 -0.92 -1.22 114.93 117.82 1xhx h MET 258 Ca 0.00 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 1xhx h MET 258 Cb 1.18 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1xhx h MET 258 CO 0.12 0.27 -0.75 -0.92 1.06 0.00 0.00 176.91 176.69 1xhx h TYR 259 N 0.11 0.19 0.00 -0.22 5.03 -0.85 -3.39 116.97 117.85 1xhx h TYR 259 Ca 0.02 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.24 1xhx h TYR 259 Cb 0.33 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.58 1xhx h TYR 259 CO 0.00 0.84 0.00 -1.13 -1.32 0.00 0.00 178.16 176.55 1xhx n SER 260 N -3.72 0.00 -4.88 -2.11 3.41 -1.15 -4.70 113.62 100.47 1xhx n SER 260 Ca -0.02 -0.69 -0.30 0.00 -0.26 0.00 0.00 58.87 57.59 1xhx n SER 260 Cb 0.72 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.69 1xhx n SER 260 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xhx s ARG 261 N 0.00 3.42 -0.31 4.33 1.81 -0.47 -4.90 118.95 122.83 1xhx s ARG 261 Ca 0.00 0.62 -0.29 0.00 -1.72 0.00 0.00 55.73 54.34 1xhx s ARG 261 Cb 0.00 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.41 1xhx s ARG 261 CO 0.00 -0.64 1.18 -1.17 -0.68 0.00 0.00 175.30 173.99 1xhx s LEU 262 N -5.17 3.91 0.12 2.53 2.96 -1.26 -4.30 118.68 117.47 1xhx s LEU 262 Ca 0.55 1.12 0.11 0.00 -0.22 0.00 0.00 54.13 55.69 1xhx s LEU 262 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1xhx s LEU 262 CO 0.52 -0.97 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.57 1xhx s LEU 263 N 3.97 2.36 0.57 -0.68 1.43 -0.03 -4.87 118.68 121.42 1xhx s LEU 263 Ca 0.50 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1xhx s LEU 263 Cb -0.14 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1xhx s LEU 263 CO 0.19 0.18 1.03 -2.16 0.23 0.00 0.00 176.35 175.82 1xhx s PRO 264 N -2.04 3.57 0.15 1.29 0.04 -1.26 -1.09 135.00 135.67 1xhx s PRO 264 Ca 0.14 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 62.01 1xhx s PRO 264 Cb -0.10 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1xhx s PRO 264 CO 0.06 -0.59 0.66 1.52 0.04 0.00 0.00 177.00 178.69 1xhx s TYR 265 N -2.59 -0.46 0.00 0.56 -0.85 -1.00 -4.75 117.35 108.26 1xhx s TYR 265 Ca 0.61 0.23 0.00 0.00 -0.52 0.00 0.00 57.07 57.39 1xhx s TYR 265 Cb -0.13 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.79 1xhx s TYR 265 CO 0.36 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.95 1xhx n GLY 266 N -0.37 -2.03 3.72 5.49 0.00 0.15 -3.75 105.19 108.39 1xhx n GLY 266 Ca -0.14 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1xhx n GLY 266 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xhx s GLU 267 N 0.00 4.57 0.47 1.61 2.56 -1.26 -4.71 118.70 121.94 1xhx s GLU 267 Ca 0.00 1.33 -0.20 0.00 0.00 0.00 0.00 54.97 56.09 1xhx s GLU 267 Cb 0.00 -3.43 -0.09 0.00 2.00 0.00 0.00 34.13 32.61 1xhx s GLU 267 CO 0.00 0.05 1.01 -2.14 -0.56 0.00 0.00 175.26 173.62 1xhx s PRO 268 N 0.66 3.95 -0.14 4.30 0.02 -1.26 -4.73 135.00 137.80 1xhx s PRO 268 Ca 0.48 1.27 -0.01 0.00 0.02 0.00 0.00 61.00 62.76 1xhx s PRO 268 Cb -0.21 -2.12 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 1xhx s PRO 268 CO 0.27 -0.29 -0.10 0.42 -0.33 0.00 0.00 177.00 176.97 1xhx s ILE 269 N -2.05 3.37 0.27 2.83 1.01 -0.48 -4.93 121.20 121.22 1xhx s ILE 269 Ca 0.65 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 1xhx s ILE 269 Cb -0.14 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 1xhx s ILE 269 CO 0.18 0.51 0.80 -0.69 0.00 0.00 0.00 174.94 175.73 1xhx s VAL 270 N 0.35 4.48 0.04 2.92 1.01 -1.26 -0.73 120.40 127.21 1xhx s VAL 270 Ca -0.08 1.39 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 1xhx s VAL 270 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1xhx s VAL 270 CO 0.05 0.10 0.04 0.72 0.00 0.00 0.00 175.10 176.01 1xhx s PHE 271 N -1.65 0.32 0.16 5.22 -0.12 -1.06 -4.95 117.98 115.90 1xhx s PHE 271 Ca 0.48 -0.71 0.05 0.00 -0.05 0.00 0.00 56.93 56.69 1xhx s PHE 271 Cb -0.16 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1xhx s PHE 271 CO 0.21 -0.35 0.15 -2.00 -0.05 0.00 0.00 175.22 173.17 1xhx s GLU 272 N -2.96 2.96 3.79 1.99 2.12 -1.26 -1.88 118.70 123.46 1xhx s GLU 272 Ca -0.02 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1xhx s GLU 272 Cb 0.01 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.71 1xhx s GLU 272 CO -0.06 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 1xhx n GLY 273 N -0.31 0.63 3.77 -1.50 0.00 0.38 -4.77 105.19 103.39 1xhx n GLY 273 Ca -0.08 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 1xhx n GLY 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xhx s LYS 274 N 0.00 4.65 0.80 1.61 2.20 -1.26 -3.57 119.74 124.17 1xhx s LYS 274 Ca 0.00 1.26 -0.14 0.00 -0.36 0.00 0.00 55.97 56.73 1xhx s LYS 274 Cb 0.00 -3.21 0.05 0.00 -1.51 0.00 0.00 37.83 33.16 1xhx s LYS 274 CO 0.00 0.53 0.99 0.98 -0.36 0.00 0.00 175.35 177.49 1xhx n TYR 275 N 1.44 0.62 -3.86 4.03 9.36 -1.26 -5.03 117.16 122.45 1xhx n TYR 275 Ca -0.04 0.38 -0.21 0.00 3.32 0.00 0.00 57.90 61.35 1xhx n TYR 275 Cb 0.48 -2.04 -0.17 0.00 -0.63 0.00 0.00 39.34 36.98 1xhx n TYR 275 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1xhx s VAL 276 N -2.09 0.34 -0.12 2.97 1.01 -1.26 -5.10 120.40 116.16 1xhx s VAL 276 Ca 0.70 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 1xhx s VAL 276 Cb -0.30 -0.47 -0.15 0.00 0.00 0.00 0.00 36.38 35.46 1xhx s VAL 276 CO 0.54 0.23 0.91 1.87 0.00 0.00 0.00 175.10 178.65 1xhx n TRP 277 N 4.79 0.74 -3.55 5.22 -0.00 -1.26 -4.93 117.44 118.45 1xhx n TRP 277 Ca -0.13 0.80 -0.27 0.00 -0.00 0.00 0.00 57.50 57.90 1xhx n TRP 277 Cb 0.50 -1.57 -0.15 0.00 -0.00 0.00 0.00 31.31 30.09 1xhx n TRP 277 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xhx s ASP 278 N 0.73 2.96 0.50 5.87 -1.08 -1.26 -5.02 116.67 119.37 1xhx s ASP 278 Ca 0.70 -1.00 0.26 0.00 -0.52 0.00 0.00 52.55 51.99 1xhx s ASP 278 Cb -0.99 -0.23 1.34 0.00 -1.46 0.00 0.00 42.92 41.59 1xhx s ASP 278 CO 0.48 -0.40 1.91 -0.08 0.52 0.00 0.00 175.17 177.60 1xhx h GLU 279 N 8.40 0.11 0.00 4.34 4.81 -1.97 0.83 114.58 131.10 1xhx h GLU 279 Ca -0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1xhx h GLU 279 Cb 1.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1xhx h GLU 279 CO 0.38 0.08 -0.28 -0.25 -0.73 0.00 0.00 179.01 178.21 1xhx n ASP 280 N -4.36 0.68 -3.20 1.04 8.00 -1.26 -4.12 116.55 113.32 1xhx n ASP 280 Ca 0.16 0.34 -0.22 0.00 0.71 0.00 0.00 54.79 55.77 1xhx n ASP 280 Cb 0.78 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 1xhx n ASP 280 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xhx n TYR 281 N -2.09 0.19 0.29 1.24 4.02 0.22 -4.22 117.16 116.82 1xhx n TYR 281 Ca 0.05 -3.69 0.14 0.00 -0.01 0.00 0.00 57.90 54.39 1xhx n TYR 281 Cb 0.42 -0.39 0.87 0.00 -0.02 0.00 0.00 39.34 40.22 1xhx n TYR 281 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xhx h PRO 282 N 3.67 0.00 -6.16 -0.72 0.11 -1.33 -3.40 132.00 124.17 1xhx h PRO 282 Ca 0.09 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.56 1xhx h PRO 282 Cb 0.88 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.90 1xhx h PRO 282 CO 0.51 0.01 -0.60 -0.51 -0.21 0.00 0.00 178.00 177.20 1xhx s LEU 283 N -7.88 3.81 0.20 2.35 1.43 -1.19 -4.96 118.68 112.44 1xhx s LEU 283 Ca -0.05 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1xhx s LEU 283 Cb 0.15 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1xhx s LEU 283 CO 0.57 0.19 0.55 -1.38 0.23 0.00 0.00 176.35 176.50 1xhx s HIS 284 N -1.35 -0.18 -0.11 0.29 -3.43 -1.26 -0.68 115.29 108.56 1xhx s HIS 284 Ca 0.28 -0.15 0.03 0.00 -0.80 0.00 0.00 55.06 54.42 1xhx s HIS 284 Cb -0.12 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 1xhx s HIS 284 CO 0.21 -0.93 -0.23 0.42 -2.00 0.00 0.00 174.74 172.21 1xhx s ILE 285 N -3.86 2.14 -0.14 -5.38 1.01 -0.38 -0.93 121.20 113.65 1xhx s ILE 285 Ca 0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1xhx s ILE 285 Cb -0.01 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1xhx s ILE 285 CO -0.04 0.55 -0.12 -1.58 0.00 0.00 0.00 174.94 173.76 1xhx s GLN 286 N 0.47 3.37 -0.29 2.79 2.00 0.27 -1.68 119.66 126.59 1xhx s GLN 286 Ca -0.15 -0.68 -0.19 0.00 -2.00 0.00 0.00 55.36 52.34 1xhx s GLN 286 Cb -0.17 -2.68 -0.02 0.00 0.80 0.00 0.00 33.01 30.94 1xhx s GLN 286 CO 0.06 0.14 0.56 -1.58 -0.50 0.00 0.00 175.29 173.97 1xhx s HIS 287 N 0.54 3.23 0.08 1.67 5.65 0.59 -0.37 115.29 126.68 1xhx s HIS 287 Ca -0.08 0.55 -0.00 0.00 0.25 0.00 0.00 55.06 55.78 1xhx s HIS 287 Cb -0.16 -2.85 -0.04 0.00 -1.18 0.00 0.00 32.58 28.35 1xhx s HIS 287 CO 0.04 -0.39 -0.03 0.96 -0.65 0.00 0.00 174.74 174.67 1xhx s ILE 288 N 2.43 0.37 -0.02 0.89 -4.36 0.83 -1.65 121.20 119.68 1xhx s ILE 288 Ca 0.22 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1xhx s ILE 288 Cb -0.15 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.89 1xhx s ILE 288 CO 0.11 -0.87 -0.13 -0.13 0.24 0.00 0.00 174.94 174.16 1xhx s ARG 289 N -3.91 1.21 0.08 0.37 0.52 -0.57 -0.85 118.95 115.81 1xhx s ARG 289 Ca 0.11 -0.45 -0.26 0.00 -0.52 0.00 0.00 55.73 54.61 1xhx s ARG 289 Cb 0.07 -1.12 0.09 0.00 0.52 0.00 0.00 34.95 34.51 1xhx s ARG 289 CO -0.06 0.21 1.14 0.00 0.02 0.00 0.00 175.30 176.61 1xhx s GLU 291 N -2.44 2.38 0.07 0.00 2.02 -0.18 -0.75 118.70 119.79 1xhx s GLU 291 Ca 0.19 -1.26 -0.19 0.00 0.02 0.00 0.00 54.97 53.72 1xhx s GLU 291 Cb 0.00 -2.27 0.04 0.00 0.10 0.00 0.00 34.13 32.01 1xhx s GLU 291 CO 0.01 0.40 0.46 -0.59 0.02 0.00 0.00 175.26 175.56 1xhx s PHE 292 N -2.06 -0.32 -0.04 1.61 -0.12 -1.26 -0.83 117.98 114.96 1xhx s PHE 292 Ca 0.30 0.25 -0.01 0.00 -0.05 0.00 0.00 56.93 57.41 1xhx s PHE 292 Cb -0.08 0.29 0.03 0.00 -0.63 0.00 0.00 43.02 42.63 1xhx s PHE 292 CO 0.20 -0.64 0.04 -1.21 -0.05 0.00 0.00 175.22 173.56 1xhx s GLU 293 N -2.80 0.05 0.27 1.99 0.41 -0.68 -1.97 118.70 115.98 1xhx s GLU 293 Ca -0.03 0.28 -0.30 0.00 -0.41 0.00 0.00 54.97 54.51 1xhx s GLU 293 Cb -0.00 -0.52 -0.12 0.00 -1.78 0.00 0.00 34.13 31.70 1xhx s GLU 293 CO -0.05 -0.28 1.54 -0.11 -0.49 0.00 0.00 175.26 175.88 1xhx n LEU 294 N 4.98 3.97 -4.77 1.80 7.94 0.14 -0.86 117.00 130.21 1xhx n LEU 294 Ca -0.10 1.14 -0.39 0.00 -1.11 0.00 0.00 56.01 55.55 1xhx n LEU 294 Cb 0.50 -1.54 -0.04 0.00 0.53 0.00 0.00 43.42 42.87 1xhx n LEU 294 CO 0.11 -0.04 0.77 -0.54 -1.11 0.00 0.00 177.39 176.58 1xhx s LYS 295 N -0.42 4.50 0.23 1.96 1.02 -0.42 -4.83 119.74 121.78 1xhx s LYS 295 Ca 0.66 1.70 -0.32 0.00 0.02 0.00 0.00 55.97 58.03 1xhx s LYS 295 Cb -0.54 -2.99 -0.12 0.00 -0.52 0.00 0.00 37.83 33.65 1xhx s LYS 295 CO 0.48 0.11 1.61 -1.91 -0.92 0.00 0.00 175.35 174.73 1xhx n GLU 296 N 0.81 2.53 -0.63 1.68 2.13 -1.26 -2.04 120.64 123.86 1xhx n GLU 296 Ca 0.01 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.74 1xhx n GLU 296 Cb 0.46 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.48 1xhx n GLU 296 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xhx n GLY 297 N 3.06 0.71 3.52 8.31 0.00 -1.26 -5.06 105.19 114.47 1xhx n GLY 297 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1xhx n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhx s TYR 298 N -2.26 2.57 0.15 1.61 1.51 -0.86 -4.99 117.35 115.07 1xhx s TYR 298 Ca 0.00 -0.25 -0.26 0.00 -1.01 0.00 0.00 57.07 55.56 1xhx s TYR 298 Cb 0.00 -1.31 -0.07 0.00 -0.11 0.00 0.00 41.96 40.46 1xhx s TYR 298 CO 0.00 0.45 0.80 0.42 -1.11 0.00 0.00 175.55 176.11 1xhx s ILE 299 N -1.41 4.41 0.21 2.71 1.01 -1.26 -4.86 121.20 122.00 1xhx s ILE 299 Ca 0.21 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.31 1xhx s ILE 299 Cb -0.10 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 1xhx s ILE 299 CO 0.12 0.48 1.38 -2.84 0.00 0.00 0.00 174.94 174.08 1xhx s PRO 300 N -0.88 4.33 0.00 2.79 0.02 -1.26 -4.94 135.00 135.07 1xhx s PRO 300 Ca 0.37 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1xhx s PRO 300 Cb -0.23 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1xhx s PRO 300 CO 0.26 -0.35 0.00 0.25 -0.33 0.00 0.00 177.00 176.84 1xhx n THR 301 N 2.71 0.00 -2.06 0.99 -2.24 -1.26 -4.92 114.28 107.50 1xhx n THR 301 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1xhx n THR 301 Cb 0.42 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1xhx n THR 301 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xhx s ILE 302 N -1.74 3.67 -0.13 2.28 1.01 -1.26 -4.94 121.20 120.09 1xhx s ILE 302 Ca 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 60.65 61.32 1xhx s ILE 302 Cb 0.00 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1xhx s ILE 302 CO 0.00 -0.09 0.31 -1.58 0.00 0.00 0.00 174.94 173.58 1xhx s GLN 303 N 4.04 4.13 0.25 2.79 0.74 -1.26 -1.50 119.66 128.85 1xhx s GLN 303 Ca 0.71 0.15 -0.30 0.00 0.05 0.00 0.00 55.36 55.97 1xhx s GLN 303 Cb -0.31 -3.37 -0.10 0.00 1.10 0.00 0.00 33.01 30.32 1xhx s GLN 303 CO 0.28 0.36 1.47 0.42 -0.55 0.00 0.00 175.29 177.27 1xhx s ILE 304 N 0.09 2.56 -0.14 -2.34 1.01 -0.98 -4.92 121.20 116.47 1xhx s ILE 304 Ca 0.18 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 1xhx s ILE 304 Cb -0.14 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1xhx s ILE 304 CO 0.06 0.07 1.24 -0.54 0.00 0.00 0.00 174.94 175.77 1xhx s LYS 305 N -0.31 4.27 -0.23 2.79 1.02 -1.26 -4.84 119.74 121.17 1xhx s LYS 305 Ca 0.61 1.65 -0.29 0.00 0.02 0.00 0.00 55.97 57.96 1xhx s LYS 305 Cb -0.43 -3.70 -0.01 0.00 -0.52 0.00 0.00 37.83 33.16 1xhx s LYS 305 CO 0.43 -0.63 1.42 0.50 -0.92 0.00 0.00 175.35 176.15 1xhx s ARG 306 N 3.13 3.96 0.00 1.68 3.52 -1.26 -4.88 118.95 125.10 1xhx s ARG 306 Ca 0.55 1.53 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 1xhx s ARG 306 Cb -0.22 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 1xhx s ARG 306 CO 0.16 -1.07 0.00 0.43 -0.81 0.00 0.00 175.30 174.01 1xhx n SER 307 N 7.64 0.00 -2.03 -2.12 7.64 -1.26 -4.87 113.62 118.61 1xhx n SER 307 Ca 0.16 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.85 1xhx n SER 307 Cb 0.45 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.82 1xhx n SER 307 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xhx n ARG 308 N 0.00 2.18 -4.30 1.43 1.74 -1.26 -4.79 116.66 111.66 1xhx n ARG 308 Ca 0.00 -2.57 -0.24 0.00 -0.77 0.00 0.00 57.85 54.27 1xhx n ARG 308 Cb 0.00 -2.01 -0.12 0.00 -1.02 0.00 0.00 32.46 29.30 1xhx n ARG 308 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1xhx s PHE 309 N -2.80 1.82 0.00 -1.55 5.36 -1.26 -5.15 117.98 114.40 1xhx s PHE 309 Ca 0.49 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 1xhx s PHE 309 Cb 0.41 -0.99 0.00 0.00 -0.34 0.00 0.00 43.02 42.10 1xhx s PHE 309 CO 0.10 0.23 0.00 2.48 -1.46 0.00 0.00 175.22 176.57 1xhx n TYR 310 N 0.96 0.00 0.00 10.12 0.18 -1.26 -4.81 117.16 122.35 1xhx n TYR 310 Ca -0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.59 1xhx n TYR 310 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 1xhx n TYR 310 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1xhx n LYS 311 N 0.00 0.00 0.00 -3.48 5.02 -1.26 -4.47 118.16 113.97 1xhx n LYS 311 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xhx n LYS 311 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xhx n LYS 311 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xhx n GLY 312 N 0.00 -0.67 3.67 0.72 0.00 -1.26 -5.15 105.19 102.51 1xhx n GLY 312 Ca 0.00 0.55 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 1xhx n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xhx n ASN 313 N 0.00 2.71 -3.90 1.61 5.03 -1.26 -5.02 115.26 114.43 1xhx n ASN 313 Ca 0.00 1.16 -0.23 0.00 0.87 0.00 0.00 54.58 56.38 1xhx n ASN 313 Cb 0.00 -1.44 -0.17 0.00 -1.02 0.00 0.00 39.78 37.16 1xhx n ASN 313 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1xhx s GLU 314 N -0.78 1.10 -0.11 3.52 2.12 -1.26 -5.00 118.70 118.29 1xhx s GLU 314 Ca 0.65 -0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.82 1xhx s GLU 314 Cb -0.63 -1.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.62 1xhx s GLU 314 CO 0.53 -0.13 -0.09 0.71 -0.54 0.00 0.00 175.26 175.74 1xhx s TYR 315 N 1.18 2.89 0.11 5.30 1.51 -1.26 -2.33 117.35 124.75 1xhx s TYR 315 Ca -0.06 -0.28 -0.23 0.00 -1.01 0.00 0.00 57.07 55.48 1xhx s TYR 315 Cb -0.14 -1.81 -0.07 0.00 -0.11 0.00 0.00 41.96 39.83 1xhx s TYR 315 CO -0.02 0.05 0.71 -0.51 -1.11 0.00 0.00 175.55 174.67 1xhx s LEU 316 N -0.13 4.54 0.01 -1.29 1.43 -0.56 -4.95 118.68 117.72 1xhx s LEU 316 Ca 0.01 1.48 0.13 0.00 -1.03 0.00 0.00 54.13 54.71 1xhx s LEU 316 Cb -0.13 -3.15 -0.20 0.00 0.03 0.00 0.00 46.19 42.74 1xhx s LEU 316 CO 0.03 0.19 0.80 0.11 0.23 0.00 0.00 176.35 177.70 1xhx h LYS 317 N 4.71 0.00 -2.67 1.70 1.57 -1.95 -3.42 116.57 116.51 1xhx h LYS 317 Ca -0.47 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1xhx h LYS 317 Cb 1.21 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.37 1xhx h LYS 317 CO 0.66 0.50 0.20 -1.54 -0.57 0.00 0.00 179.45 178.70 1xhx s SER 318 N -6.10 -0.59 0.03 0.86 1.04 -1.26 0.27 113.70 107.95 1xhx s SER 318 Ca -0.03 0.24 0.20 0.00 0.48 0.00 0.00 55.95 56.84 1xhx s SER 318 Cb 0.08 0.58 0.85 0.00 0.10 0.00 0.00 66.02 67.63 1xhx s SER 318 CO 0.82 -0.84 1.65 -1.54 0.98 0.00 0.00 173.24 174.30 1xhx n SER 319 N 0.07 0.09 -3.93 7.02 3.41 -0.83 -4.93 113.62 114.51 1xhx n SER 319 Ca -0.18 0.52 -0.35 0.00 -0.26 0.00 0.00 58.87 58.60 1xhx n SER 319 Cb 0.62 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1xhx n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhx n GLY 320 N 0.54 -0.68 2.82 5.00 0.00 -1.26 -2.05 105.19 109.55 1xhx n GLY 320 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1xhx n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhx n GLY 321 N -1.97 2.06 3.93 -0.02 0.00 -1.26 -4.99 105.19 102.93 1xhx n GLY 321 Ca -0.17 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1xhx n GLY 321 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xhx s GLU 322 N 0.00 1.09 -0.08 1.61 0.41 -0.87 -5.08 118.70 115.78 1xhx s GLU 322 Ca 0.00 -0.35 -0.00 0.00 -0.41 0.00 0.00 54.97 54.21 1xhx s GLU 322 Cb 0.00 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.40 1xhx s GLU 322 CO 0.00 -2.10 -0.05 0.42 -0.49 0.00 0.00 175.26 173.04 1xhx s ILE 323 N -3.73 3.87 -0.11 -1.63 1.01 -1.26 -4.75 121.20 114.59 1xhx s ILE 323 Ca 0.70 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1xhx s ILE 323 Cb -0.06 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 1xhx s ILE 323 CO 0.51 0.60 0.21 0.00 0.00 0.00 0.00 174.94 176.26 1xhx s ALA 324 N -0.78 3.79 -0.25 9.38 0.00 0.07 -4.94 121.76 129.03 1xhx s ALA 324 Ca 0.12 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1xhx s ALA 324 Cb -0.11 -2.13 0.05 0.00 0.00 0.00 0.00 23.12 20.93 1xhx s ALA 324 CO 0.02 0.49 -0.12 0.34 0.00 0.00 0.00 175.76 176.48 1xhx s ASP 325 N -0.74 4.23 0.09 0.00 -1.08 -1.26 -1.64 116.67 116.27 1xhx s ASP 325 Ca 0.16 -1.25 0.03 0.00 -0.52 0.00 0.00 52.55 50.97 1xhx s ASP 325 Cb -0.13 -1.54 -0.04 0.00 -1.46 0.00 0.00 42.92 39.75 1xhx s ASP 325 CO 0.05 -0.16 -0.09 -0.76 0.52 0.00 0.00 175.17 174.74 1xhx s LEU 326 N 1.14 2.42 -0.18 -1.34 1.43 -0.03 -5.01 118.68 117.12 1xhx s LEU 326 Ca -0.06 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1xhx s LEU 326 Cb -0.19 -0.22 0.02 0.00 0.03 0.00 0.00 46.19 45.83 1xhx s LEU 326 CO -0.06 -0.32 -0.19 0.26 0.23 0.00 0.00 176.35 176.27 1xhx s TRP 327 N -2.68 2.78 -0.00 0.29 0.52 -1.26 -0.12 118.94 118.47 1xhx s TRP 327 Ca 0.06 -1.61 0.04 0.00 0.02 0.00 0.00 56.10 54.60 1xhx s TRP 327 Cb -0.01 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 1xhx s TRP 327 CO -0.01 -0.79 -0.11 -0.51 0.02 0.00 0.00 176.95 175.54 1xhx s LEU 328 N 1.28 2.05 0.78 2.99 1.43 0.50 -4.21 118.68 123.50 1xhx s LEU 328 Ca 0.04 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1xhx s LEU 328 Cb -0.13 -0.56 0.06 0.00 0.03 0.00 0.00 46.19 45.59 1xhx s LEU 328 CO -0.12 0.11 1.10 -0.94 0.23 0.00 0.00 176.35 176.73 1xhx s SER 329 N -0.43 4.35 0.57 2.29 1.04 -1.26 0.96 113.70 121.22 1xhx s SER 329 Ca 0.03 1.89 0.34 0.00 0.48 0.00 0.00 55.95 58.69 1xhx s SER 329 Cb -0.05 -2.53 1.69 0.00 0.10 0.00 0.00 66.02 65.23 1xhx s SER 329 CO -0.00 -2.14 2.13 -0.55 0.98 0.00 0.00 173.24 173.65 1xhx h ASN 330 N -1.12 0.00 -0.05 7.02 -1.07 -1.43 -0.62 115.58 118.31 1xhx h ASN 330 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.91 1xhx h ASN 330 Cb 1.24 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1xhx h ASN 330 CO 0.50 0.06 -0.06 0.58 0.07 0.00 0.00 177.43 178.58 1xhx h VAL 331 N 0.00 1.39 -0.33 6.14 2.07 -1.90 -2.46 116.25 121.16 1xhx h VAL 331 Ca -0.00 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.13 1xhx h VAL 331 Cb 0.30 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1xhx h VAL 331 CO 0.01 0.35 -0.25 0.44 0.02 0.00 0.00 177.57 178.13 1xhx h ASP 332 N -0.34 0.66 -0.52 0.57 3.32 -1.77 -2.85 116.42 115.48 1xhx h ASP 332 Ca 0.01 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1xhx h ASP 332 Cb 0.59 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1xhx h ASP 332 CO 0.02 0.89 0.21 0.25 -1.72 0.00 0.00 179.24 178.89 1xhx h LEU 333 N 0.56 0.71 -1.11 1.55 5.85 -1.14 -0.97 115.31 120.76 1xhx h LEU 333 Ca 0.08 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1xhx h LEU 333 Cb 0.73 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1xhx h LEU 333 CO 0.06 0.68 0.35 -0.33 -0.34 0.00 0.00 178.44 178.85 1xhx h GLU 334 N 0.70 0.98 -0.69 1.25 4.39 -1.36 -1.64 114.58 118.19 1xhx h GLU 334 Ca 0.17 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1xhx h GLU 334 Cb 0.18 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1xhx h GLU 334 CO -0.02 0.74 0.19 -0.07 -1.16 0.00 0.00 179.01 178.70 1xhx h LEU 335 N 0.98 1.03 -0.43 1.33 3.38 -1.22 -2.67 115.31 117.71 1xhx h LEU 335 Ca 0.24 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1xhx h LEU 335 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1xhx h LEU 335 CO -0.03 0.98 0.07 -0.03 0.09 0.00 0.00 178.44 179.52 1xhx h MET 336 N 1.03 0.71 0.00 1.13 4.05 -0.49 -1.46 114.93 119.90 1xhx h MET 336 Ca 0.22 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1xhx h MET 336 Cb 0.34 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1xhx h MET 336 CO -0.00 0.74 -0.18 0.87 0.23 0.00 0.00 176.91 178.57 1xhx h LYS 337 N 0.57 0.00 0.14 0.39 1.57 -1.26 0.76 116.57 118.73 1xhx h LYS 337 Ca 0.13 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.70 1xhx h LYS 337 Cb 0.37 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.70 1xhx h LYS 337 CO 0.01 0.18 -0.99 1.49 -0.57 0.00 0.00 179.45 179.57 1xhx h GLU 338 N 0.00 0.30 0.00 3.15 4.81 -1.22 -3.36 114.58 118.27 1xhx h GLU 338 Ca -0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xhx h GLU 338 Cb 0.38 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1xhx h GLU 338 CO 0.02 1.25 -0.25 0.72 -0.73 0.00 0.00 179.01 180.02 1xhx n HIS 339 N -4.06 0.06 -4.18 0.92 8.25 -0.57 -4.93 115.22 110.71 1xhx n HIS 339 Ca -0.16 0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.17 1xhx n HIS 339 Cb 0.86 -0.41 -0.11 0.00 1.12 0.00 0.00 29.99 31.45 1xhx n HIS 339 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1xhx s TYR 340 N -3.01 1.05 -0.23 4.41 1.51 0.24 -1.31 117.35 120.02 1xhx s TYR 340 Ca 0.12 -0.71 -0.16 0.00 -1.01 0.00 0.00 57.07 55.31 1xhx s TYR 340 Cb 0.18 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1xhx s TYR 340 CO 0.62 -0.01 0.40 -0.51 -1.11 0.00 0.00 175.55 174.93 1xhx s ASP 341 N -2.64 6.37 -0.13 2.29 1.01 -0.04 -4.64 116.67 118.89 1xhx s ASP 341 Ca 0.08 0.44 -0.05 0.00 0.71 0.00 0.00 52.55 53.73 1xhx s ASP 341 Cb -0.01 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1xhx s ASP 341 CO -0.01 -0.13 0.05 -0.76 0.21 0.00 0.00 175.17 174.54 1xhx s LEU 342 N 1.63 3.84 0.01 1.23 1.43 -1.26 -1.68 118.68 123.87 1xhx s LEU 342 Ca 0.18 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 1xhx s LEU 342 Cb -0.15 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1xhx s LEU 342 CO 0.08 0.31 -0.23 -0.31 0.23 0.00 0.00 176.35 176.44 1xhx s TYR 343 N -0.44 2.00 -1.20 0.29 1.51 -0.01 -4.83 117.35 114.68 1xhx s TYR 343 Ca 0.09 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.60 1xhx s TYR 343 Cb -0.12 -1.25 -0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1xhx s TYR 343 CO 0.02 0.03 0.72 0.09 -1.11 0.00 0.00 175.55 175.30 1xhx n ASN 344 N 2.19 -4.22 -4.69 2.29 3.02 -1.26 -1.01 115.26 111.58 1xhx n ASN 344 Ca -0.16 -1.03 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 1xhx n ASN 344 Cb 0.53 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 1xhx n ASN 344 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xhx s VAL 345 N -3.56 4.75 -0.22 2.41 1.01 -1.26 -4.33 120.40 119.19 1xhx s VAL 345 Ca 0.38 2.01 -0.01 0.00 0.00 0.00 0.00 61.98 64.36 1xhx s VAL 345 Cb -0.14 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.96 1xhx s VAL 345 CO 0.87 0.00 -0.11 -1.61 0.00 0.00 0.00 175.10 174.26 1xhx s GLU 346 N 2.02 2.99 -0.45 2.72 2.02 0.43 -4.98 118.70 123.46 1xhx s GLU 346 Ca 0.49 -0.86 -0.21 0.00 0.02 0.00 0.00 54.97 54.42 1xhx s GLU 346 Cb -0.19 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 31.23 1xhx s GLU 346 CO 0.18 -0.29 0.65 0.71 0.02 0.00 0.00 175.26 176.53 1xhx s TYR 347 N 1.34 3.05 0.00 1.61 1.51 -1.26 -1.50 117.35 122.10 1xhx s TYR 347 Ca 0.03 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 1xhx s TYR 347 Cb -0.15 -3.40 0.00 0.00 -0.11 0.00 0.00 41.96 38.30 1xhx s TYR 347 CO -0.07 -0.91 0.00 -0.89 -1.11 0.00 0.00 175.55 172.57 1xhx n ILE 348 N 5.84 0.00 -3.81 2.71 2.08 -0.66 -4.00 119.36 121.52 1xhx n ILE 348 Ca -0.02 0.42 -0.08 0.00 0.56 0.00 0.00 62.75 63.62 1xhx n ILE 348 Cb 0.48 -1.25 0.03 0.00 -0.75 0.00 0.00 39.64 38.14 1xhx n ILE 348 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1xhx s SER 349 N -2.69 0.03 0.00 4.38 1.04 -1.23 0.14 113.70 115.37 1xhx s SER 349 Ca 0.00 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1xhx s SER 349 Cb 0.00 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.95 1xhx s SER 349 CO 0.00 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.17 1xhx n GLY 350 N -0.55 1.73 2.77 7.32 0.00 -0.79 -0.30 105.19 115.36 1xhx n GLY 350 Ca -0.08 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1xhx n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xhx s LEU 351 N 0.00 0.97 -0.04 0.99 1.43 -0.68 -2.55 118.68 118.80 1xhx s LEU 351 Ca 0.00 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1xhx s LEU 351 Cb 0.00 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 1xhx s LEU 351 CO 0.00 -0.14 0.16 -0.54 0.23 0.00 0.00 176.35 176.06 1xhx s LYS 352 N 1.21 3.41 0.03 1.70 1.02 0.09 -1.25 119.74 125.95 1xhx s LYS 352 Ca -0.07 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 55.67 1xhx s LYS 352 Cb -0.13 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1xhx s LYS 352 CO -0.03 0.71 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.95 1xhx s PHE 353 N -1.22 0.85 0.73 3.18 0.40 0.14 -1.38 117.98 120.68 1xhx s PHE 353 Ca 0.23 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 1xhx s PHE 353 Cb -0.12 -0.51 0.04 0.00 0.51 0.00 0.00 43.02 42.94 1xhx s PHE 353 CO 0.14 -0.02 1.09 0.15 0.70 0.00 0.00 175.22 177.28 1xhx s LYS 354 N -1.14 2.47 0.14 0.44 1.02 -1.25 -3.15 119.74 118.27 1xhx s LYS 354 Ca -0.03 1.22 -0.09 0.00 0.02 0.00 0.00 55.97 57.09 1xhx s LYS 354 Cb -0.08 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1xhx s LYS 354 CO 0.01 -1.48 0.26 0.00 -0.92 0.00 0.00 175.35 173.21 1xhx s ALA 355 N -2.74 -0.08 0.16 5.17 0.00 -1.26 -2.37 121.76 120.64 1xhx s ALA 355 Ca 0.63 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 1xhx s ALA 355 Cb -0.18 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1xhx s ALA 355 CO 0.51 -0.60 0.69 -0.08 0.00 0.00 0.00 175.76 176.28 1xhx s THR 356 N -3.93 0.00 -0.76 0.00 -1.32 -0.25 -4.91 115.64 104.47 1xhx s THR 356 Ca 0.13 -0.25 0.08 0.00 -1.21 0.00 0.00 61.69 60.44 1xhx s THR 356 Cb 0.04 -1.27 0.18 0.00 -1.51 0.00 0.00 72.50 69.94 1xhx s THR 356 CO -0.04 0.00 1.07 0.35 -2.21 0.00 0.00 174.62 173.79 1xhx n THR 357 N -0.38 0.73 -0.99 5.08 -2.24 -1.26 -0.85 114.28 114.36 1xhx n THR 357 Ca -0.12 -0.86 0.09 0.00 -2.27 0.00 0.00 64.05 60.88 1xhx n THR 357 Cb 0.63 0.68 0.15 0.00 -2.10 0.00 0.00 70.33 69.70 1xhx n THR 357 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xhx n GLY 358 N 0.29 4.62 0.17 3.38 0.00 -1.26 -4.51 105.19 107.87 1xhx n GLY 358 Ca 0.07 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 1xhx n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xhx h LEU 359 N 0.35 0.30 -0.58 0.99 3.38 -1.87 -3.34 115.31 114.54 1xhx h LEU 359 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1xhx h LEU 359 Cb 1.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1xhx h LEU 359 CO 0.04 0.86 -0.41 0.49 0.09 0.00 0.00 178.44 179.51 1xhx n PHE 360 N -3.86 0.00 -0.16 1.13 3.01 -1.26 -4.73 117.46 111.59 1xhx n PHE 360 Ca -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.41 1xhx n PHE 360 Cb 0.64 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.16 1xhx n PHE 360 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1xhx h LYS 361 N 1.10 0.08 -0.57 -1.08 1.57 -1.81 -1.28 116.57 114.59 1xhx h LYS 361 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1xhx h LYS 361 Cb 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1xhx h LYS 361 CO 0.00 0.06 0.20 -0.44 -0.57 0.00 0.00 179.45 178.70 1xhx h ASP 362 N 0.09 0.81 0.00 0.86 3.32 -1.85 0.13 116.42 119.78 1xhx h ASP 362 Ca 0.25 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1xhx h ASP 362 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1xhx h ASP 362 CO -0.44 0.78 -0.06 0.15 -1.72 0.00 0.00 179.24 177.96 1xhx h PHE 363 N 0.79 -0.14 -0.48 4.55 3.57 -1.77 0.03 116.94 123.47 1xhx h PHE 363 Ca 0.19 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1xhx h PHE 363 Cb 0.25 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1xhx h PHE 363 CO 0.01 -0.09 0.11 0.82 -2.23 0.00 0.00 178.31 176.93 1xhx h ILE 364 N -0.10 1.24 -0.48 1.41 2.04 -1.07 -2.26 117.51 118.29 1xhx h ILE 364 Ca 0.02 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1xhx h ILE 364 Cb 0.13 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1xhx h ILE 364 CO -0.06 0.31 0.25 0.44 0.00 0.00 0.00 178.15 179.09 1xhx h ASP 365 N 0.66 0.61 0.10 1.72 3.32 -0.58 -0.09 116.42 122.16 1xhx h ASP 365 Ca 0.15 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xhx h ASP 365 Cb 0.35 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xhx h ASP 365 CO 0.00 0.55 -0.05 0.50 -1.72 0.00 0.00 179.24 178.52 1xhx h LYS 366 N 0.63 -0.13 0.00 3.56 3.64 -0.89 0.18 116.57 123.57 1xhx h LYS 366 Ca 0.17 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1xhx h LYS 366 Cb 0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xhx h LYS 366 CO -0.02 0.01 -0.34 -1.49 -2.27 0.00 0.00 179.45 175.33 1xhx h TRP 367 N -0.24 0.00 -0.30 1.91 4.06 -1.39 -1.33 115.95 118.67 1xhx h TRP 367 Ca -0.01 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.75 1xhx h TRP 367 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1xhx h TRP 367 CO -0.04 0.34 -0.54 1.15 -3.56 0.00 0.00 178.44 175.80 1xhx h THR 368 N 0.00 1.27 -0.02 1.49 2.02 -0.86 -1.45 112.91 115.36 1xhx h THR 368 Ca -0.00 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 1xhx h THR 368 Cb 0.88 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1xhx h THR 368 CO 0.04 0.56 0.01 0.22 0.37 0.00 0.00 175.52 176.73 1xhx h TYR 369 N 0.68 0.03 -0.44 3.16 3.20 -0.60 -0.61 116.97 122.39 1xhx h TYR 369 Ca 0.02 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1xhx h TYR 369 Cb 1.15 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1xhx h TYR 369 CO 0.07 0.11 0.29 0.82 -1.64 0.00 0.00 178.16 177.82 1xhx h ILE 370 N -0.06 1.03 -0.06 1.81 2.04 -1.18 -2.07 117.51 119.03 1xhx h ILE 370 Ca 0.01 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1xhx h ILE 370 Cb 0.09 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1xhx h ILE 370 CO -0.00 0.09 -0.14 0.50 0.00 0.00 0.00 178.15 178.60 1xhx h LYS 371 N 0.47 0.20 0.00 2.37 3.64 -0.87 -3.17 116.57 119.20 1xhx h LYS 371 Ca 0.18 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1xhx h LYS 371 Cb 0.13 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1xhx h LYS 371 CO -0.04 0.73 0.00 0.25 -2.27 0.00 0.00 179.45 178.12 1xhx n THR 372 N -4.62 0.84 -0.63 1.00 -2.24 -0.27 -3.16 114.28 105.21 1xhx n THR 372 Ca -0.08 0.21 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 1xhx n THR 372 Cb 0.38 -0.95 0.08 0.00 -2.10 0.00 0.00 70.33 67.74 1xhx n THR 372 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xhx n THR 373 N -1.44 1.48 -4.18 4.28 -2.24 -0.82 -5.04 114.28 106.32 1xhx n THR 373 Ca 0.05 -1.70 -0.14 0.00 -2.27 0.00 0.00 64.05 59.99 1xhx n THR 373 Cb 0.17 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.40 1xhx n THR 373 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xhx s SER 374 N -2.05 0.58 0.31 3.42 1.04 -1.19 -5.05 113.70 110.76 1xhx s SER 374 Ca 0.18 -1.43 0.03 0.00 0.48 0.00 0.00 55.95 55.22 1xhx s SER 374 Cb 0.16 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1xhx s SER 374 CO 0.02 -0.99 0.17 -1.61 0.98 0.00 0.00 173.24 171.80 1xhx s GLU 375 N -3.83 1.62 4.64 4.02 0.41 -1.26 -4.70 118.70 119.60 1xhx s GLU 375 Ca 0.36 -1.93 0.00 0.00 -0.41 0.00 0.00 54.97 52.99 1xhx s GLU 375 Cb 0.04 -0.07 0.00 0.00 -1.78 0.00 0.00 34.13 32.31 1xhx s GLU 375 CO 0.16 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 1xhx n GLY 376 N -0.60 2.59 0.37 -1.39 0.00 -1.26 -3.54 105.19 101.36 1xhx n GLY 376 Ca 0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1xhx n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhx h ALA 377 N -0.78 -0.58 -1.00 4.61 0.00 -1.68 -0.91 119.26 118.92 1xhx h ALA 377 Ca 0.00 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.11 1xhx h ALA 377 Cb 0.00 1.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 1xhx h ALA 377 CO 0.00 -0.87 0.62 0.82 0.00 0.00 0.00 179.25 179.82 1xhx h ILE 378 N -0.16 0.82 -0.07 0.00 1.08 -1.95 0.39 117.51 117.61 1xhx h ILE 378 Ca 0.10 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1xhx h ILE 378 Cb 0.42 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.03 1xhx h ILE 378 CO -0.65 0.16 -0.00 0.50 -0.69 0.00 0.00 178.15 177.47 1xhx h LYS 379 N 0.88 0.13 -0.83 2.37 3.64 -1.30 -1.25 116.57 120.22 1xhx h LYS 379 Ca 0.53 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.89 1xhx h LYS 379 Cb 0.69 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1xhx h LYS 379 CO -0.32 0.41 0.55 1.96 -2.27 0.00 0.00 179.45 179.78 1xhx h GLN 380 N -0.17 1.05 0.00 1.90 1.08 -0.32 -1.47 115.11 117.19 1xhx h GLN 380 Ca 0.02 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1xhx h GLN 380 Cb 0.36 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1xhx h GLN 380 CO 0.00 0.70 -0.41 -0.07 -0.95 0.00 0.00 178.83 178.11 1xhx h LEU 381 N 1.09 0.00 -0.34 1.46 3.38 -0.86 -2.17 115.31 117.86 1xhx h LEU 381 Ca 0.31 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.09 1xhx h LEU 381 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xhx h LEU 381 CO -0.08 0.41 -0.73 0.00 0.09 0.00 0.00 178.44 178.13 1xhx h ALA 382 N 1.59 0.52 0.07 1.53 0.00 -0.25 -1.92 119.26 120.80 1xhx h ALA 382 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xhx h ALA 382 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xhx h ALA 382 CO 0.05 0.74 -0.03 0.87 0.00 0.00 0.00 179.25 180.88 1xhx h LYS 383 N 0.36 -0.09 -0.94 0.00 1.57 -1.12 -1.64 116.57 114.71 1xhx h LYS 383 Ca -0.03 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1xhx h LYS 383 Cb 1.32 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.57 1xhx h LYS 383 CO 0.13 0.11 0.60 1.25 -0.57 0.00 0.00 179.45 180.97 1xhx h LEU 384 N -0.27 0.69 -0.08 2.94 5.85 -1.34 0.13 115.31 123.24 1xhx h LEU 384 Ca -0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xhx h LEU 384 Cb 0.23 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1xhx h LEU 384 CO 0.01 0.32 0.01 0.24 -0.34 0.00 0.00 178.44 178.69 1xhx h MET 385 N 0.72 0.13 -0.55 1.25 2.86 -0.99 -1.84 114.93 116.50 1xhx h MET 385 Ca 0.49 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 58.03 1xhx h MET 385 Cb 0.79 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1xhx h MET 385 CO -0.25 0.35 0.09 -0.07 1.06 0.00 0.00 176.91 178.09 1xhx h LEU 386 N -0.11 0.88 -0.33 1.22 3.38 -0.32 -3.20 115.31 116.83 1xhx h LEU 386 Ca 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1xhx h LEU 386 Cb 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xhx h LEU 386 CO 0.00 0.92 -0.07 0.59 0.09 0.00 0.00 178.44 179.97 1xhx n ASN 387 N -4.35 0.58 -0.26 -0.43 3.02 0.34 -4.03 115.26 110.12 1xhx n ASN 387 Ca 0.02 -0.85 0.06 0.00 -0.03 0.00 0.00 54.58 53.78 1xhx n ASN 387 Cb 0.27 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1xhx n ASN 387 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xhx n SER 388 N -0.74 1.30 -0.03 6.41 7.64 -0.70 -4.62 113.62 122.88 1xhx n SER 388 Ca 0.17 -1.15 -0.13 0.00 1.01 0.00 0.00 58.87 58.77 1xhx n SER 388 Cb 0.26 0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 63.88 1xhx n SER 388 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xhx h LEU 389 N 1.25 0.17 -0.82 -3.43 5.85 -1.70 -3.23 115.31 113.40 1xhx h LEU 389 Ca 0.00 -0.53 0.20 0.00 0.84 0.00 0.00 57.88 58.40 1xhx h LEU 389 Cb 0.40 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.25 1xhx h LEU 389 CO 0.00 0.66 0.19 0.22 -0.34 0.00 0.00 178.44 179.17 1xhx h TYR 390 N -0.31 0.28 -0.58 1.25 3.20 -1.83 -1.69 116.97 117.28 1xhx h TYR 390 Ca 0.01 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1xhx h TYR 390 Cb 0.62 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.80 1xhx h TYR 390 CO 0.10 -0.17 -0.08 0.78 -1.64 0.00 0.00 178.16 177.15 1xhx h GLY 391 N 0.22 0.51 1.21 1.82 0.00 -1.84 -1.61 103.07 103.38 1xhx h GLY 391 Ca 0.49 0.14 0.09 0.00 0.00 0.00 0.00 47.33 48.05 1xhx h GLY 391 CO -0.62 -0.21 0.31 0.50 0.00 0.00 0.00 176.54 176.53 1xhx h LYS 392 N 0.05 0.00 0.00 4.80 1.79 -1.42 0.29 116.57 122.07 1xhx h LYS 392 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1xhx h LYS 392 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1xhx h LYS 392 CO -0.56 0.00 -0.99 1.19 -1.08 0.00 0.00 179.45 178.01 1xhx n PHE 393 N -3.80 0.53 0.34 -1.35 3.01 -0.62 -4.32 117.46 111.26 1xhx n PHE 393 Ca 0.04 0.16 0.04 0.00 1.01 0.00 0.00 57.45 58.70 1xhx n PHE 393 Cb 0.46 -0.65 -0.05 0.00 -0.01 0.00 0.00 39.48 39.23 1xhx n PHE 393 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xhx n ALA 394 N -1.97 2.97 -1.28 4.37 0.00 -0.34 -3.55 120.51 120.70 1xhx n ALA 394 Ca 0.01 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1xhx n ALA 394 Cb 0.48 -0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.66 1xhx n ALA 394 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xhx n SER 395 N -1.22 -3.17 -4.67 0.00 3.41 0.86 -4.87 113.62 103.97 1xhx n SER 395 Ca 0.01 0.72 -0.43 0.00 -0.26 0.00 0.00 58.87 58.91 1xhx n SER 395 Cb 0.13 -0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 63.17 1xhx n SER 395 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xhx s ASN 396 N -1.01 7.06 0.63 4.04 2.47 -1.26 -4.94 114.94 121.93 1xhx s ASN 396 Ca 0.59 1.53 0.32 0.00 0.42 0.00 0.00 52.86 55.72 1xhx s ASN 396 Cb -0.54 -2.54 1.76 0.00 -1.45 0.00 0.00 41.25 38.48 1xhx s ASN 396 CO 0.64 -0.67 2.07 -0.65 -3.72 0.00 0.00 177.10 174.77 1xhx h PRO 397 N 7.65 0.00 -6.40 0.43 0.11 -1.89 -3.42 132.00 128.48 1xhx h PRO 397 Ca -0.24 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.33 1xhx h PRO 397 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xhx h PRO 397 CO 0.95 0.00 0.88 0.34 -0.21 0.00 0.00 178.00 179.97 1xhx s ASP 398 N -5.20 6.77 -0.08 -2.05 -1.08 -1.26 -2.13 116.67 111.64 1xhx s ASP 398 Ca -0.04 2.24 0.12 0.00 -0.52 0.00 0.00 52.55 54.35 1xhx s ASP 398 Cb 0.13 -2.56 0.18 0.00 -1.46 0.00 0.00 42.92 39.21 1xhx s ASP 398 CO 0.44 -0.77 1.08 0.52 0.52 0.00 0.00 175.17 176.96 1xhx n VAL 399 N 4.66 1.23 -1.71 1.11 0.31 -0.97 -4.94 118.33 118.02 1xhx n VAL 399 Ca 0.14 -1.46 -0.42 0.00 -0.01 0.00 0.00 64.34 62.59 1xhx n VAL 399 Cb 0.43 0.06 -0.03 0.00 -0.91 0.00 0.00 33.84 33.39 1xhx n VAL 399 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xhx s THR 400 N -1.84 2.61 0.40 2.52 2.01 -1.25 -4.65 115.64 115.44 1xhx s THR 400 Ca 0.20 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.33 1xhx s THR 400 Cb 0.17 -3.04 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 1xhx s THR 400 CO 0.02 -0.00 0.02 -0.83 -0.69 0.00 0.00 174.62 173.14 1xhx s GLY 401 N 2.95 2.42 0.06 4.40 0.00 -1.25 -1.24 107.32 114.66 1xhx s GLY 401 Ca 0.82 -2.24 -0.22 0.00 0.00 0.00 0.00 44.72 43.08 1xhx s GLY 401 CO 0.37 -2.05 0.67 0.54 0.00 0.00 0.00 173.10 172.62 1xhx s LYS 402 N -3.73 4.38 -0.25 2.90 1.02 -0.09 -0.62 119.74 123.34 1xhx s LYS 402 Ca 0.36 0.90 -0.09 0.00 0.02 0.00 0.00 55.97 57.16 1xhx s LYS 402 Cb 0.08 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1xhx s LYS 402 CO 0.19 0.46 0.12 0.08 -0.92 0.00 0.00 175.35 175.27 1xhx s VAL 403 N -0.58 4.80 0.85 3.17 1.01 -0.42 -4.58 120.40 124.65 1xhx s VAL 403 Ca 0.33 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1xhx s VAL 403 Cb -0.20 -3.25 0.10 0.00 0.00 0.00 0.00 36.38 33.03 1xhx s VAL 403 CO 0.21 0.32 1.09 -2.84 0.00 0.00 0.00 175.10 173.88 1xhx s PRO 404 N 1.47 1.62 -0.30 2.72 0.02 -1.26 -2.24 135.00 137.03 1xhx s PRO 404 Ca 0.06 0.88 -0.28 0.00 0.02 0.00 0.00 61.00 61.68 1xhx s PRO 404 Cb -0.15 -1.85 0.20 0.00 0.02 0.00 0.00 34.50 32.72 1xhx s PRO 404 CO 0.06 -2.00 1.42 1.52 -0.33 0.00 0.00 177.00 177.66 1xhx s TYR 405 N -2.96 -0.00 -0.54 6.54 -0.85 -1.01 -4.85 117.35 113.68 1xhx s TYR 405 Ca 0.62 0.00 -0.27 0.00 -0.52 0.00 0.00 57.07 56.91 1xhx s TYR 405 Cb -0.17 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 1xhx s TYR 405 CO 0.56 -0.00 1.94 -0.51 -1.52 0.00 0.00 175.55 176.02 1xhx s LEU 406 N -0.79 3.34 0.37 -3.49 1.43 -1.26 -0.78 118.68 117.51 1xhx s LEU 406 Ca 0.10 0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 53.57 1xhx s LEU 406 Cb -0.02 -2.69 -0.12 0.00 0.03 0.00 0.00 46.19 43.39 1xhx s LEU 406 CO -0.11 -2.35 0.90 0.29 0.23 0.00 0.00 176.35 175.31 1xhx n LYS 407 N 9.03 1.14 0.07 1.70 5.02 0.43 -4.73 118.16 130.82 1xhx n LYS 407 Ca 0.23 0.41 0.19 0.00 -2.02 0.00 0.00 58.31 57.12 1xhx n LYS 407 Cb 0.52 -1.83 0.57 0.00 -0.02 0.00 0.00 35.03 34.27 1xhx n LYS 407 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xhx h GLU 408 N 1.52 0.00 -0.16 1.97 3.07 -1.92 0.16 114.58 119.21 1xhx h GLU 408 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1xhx h GLU 408 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1xhx h GLU 408 CO 0.57 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.45 1xhx n ASN 409 N -3.26 2.39 0.00 1.42 6.94 -1.26 -4.94 115.26 116.55 1xhx n ASN 409 Ca 0.10 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1xhx n ASN 409 Cb 0.92 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 38.24 1xhx n ASN 409 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xhx n GLY 410 N 1.29 0.50 3.94 4.83 0.00 0.04 -4.84 105.19 110.95 1xhx n GLY 410 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1xhx n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhx s ALA 411 N -2.00 4.23 0.35 4.61 0.00 -1.25 -3.48 121.76 124.22 1xhx s ALA 411 Ca 0.00 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.06 1xhx s ALA 411 Cb 0.00 -1.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.63 1xhx s ALA 411 CO 0.00 -0.17 0.87 -0.51 0.00 0.00 0.00 175.76 175.95 1xhx s LEU 412 N -4.20 4.13 0.17 0.00 1.43 -1.26 0.16 118.68 119.12 1xhx s LEU 412 Ca 0.49 1.59 0.05 0.00 -1.03 0.00 0.00 54.13 55.24 1xhx s LEU 412 Cb -0.07 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 1xhx s LEU 412 CO 0.30 -0.19 -0.11 -0.83 0.23 0.00 0.00 176.35 175.76 1xhx s GLY 413 N -1.97 1.22 -0.05 -3.19 0.00 0.04 -4.64 107.32 98.74 1xhx s GLY 413 Ca 0.54 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1xhx s GLY 413 CO 0.18 -1.65 -0.04 -1.36 0.00 0.00 0.00 173.10 170.23 1xhx s PHE 414 N -3.23 0.74 -0.10 1.90 0.40 -1.26 -2.40 117.98 114.03 1xhx s PHE 414 Ca 0.20 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 1xhx s PHE 414 Cb 0.02 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1xhx s PHE 414 CO 0.03 -0.20 -0.21 1.03 0.70 0.00 0.00 175.22 176.58 1xhx s ARG 415 N 0.96 3.04 -0.22 0.44 0.52 -0.95 -4.89 118.95 117.86 1xhx s ARG 415 Ca -0.10 -0.82 -0.34 0.00 -0.52 0.00 0.00 55.73 53.94 1xhx s ARG 415 Cb -0.14 -2.37 -0.11 0.00 0.52 0.00 0.00 34.95 32.85 1xhx s ARG 415 CO -0.00 0.24 2.03 -0.11 0.02 0.00 0.00 175.30 177.48 1xhx n LEU 416 N 3.38 2.88 -4.74 2.53 7.94 -1.26 -1.30 117.00 126.43 1xhx n LEU 416 Ca -0.18 0.67 -0.30 0.00 -1.11 0.00 0.00 56.01 55.09 1xhx n LEU 416 Cb 0.53 -1.34 0.22 0.00 0.53 0.00 0.00 43.42 43.36 1xhx n LEU 416 CO 0.28 -0.41 0.74 -0.83 -1.11 0.00 0.00 177.39 176.06 1xhx s GLY 417 N 5.79 1.68 0.25 -3.96 0.00 0.21 -4.89 107.32 106.40 1xhx s GLY 417 Ca 1.00 -1.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.32 1xhx s GLY 417 CO 0.50 -0.25 1.60 -0.54 0.00 0.00 0.00 173.10 174.41 1xhx s GLU 418 N -5.65 4.16 0.22 2.90 2.02 -1.26 -4.74 118.70 116.35 1xhx s GLU 418 Ca 0.73 2.51 -0.32 0.00 0.02 0.00 0.00 54.97 57.91 1xhx s GLU 418 Cb -0.07 -3.07 -0.14 0.00 0.10 0.00 0.00 34.13 30.96 1xhx s GLU 418 CO 0.55 -0.62 1.43 0.39 0.02 0.00 0.00 175.26 177.02 1xhx n GLU 419 N 2.90 1.99 -4.33 1.61 1.02 -1.26 -4.65 120.64 117.92 1xhx n GLU 419 Ca 0.11 0.71 -0.18 0.00 -0.02 0.00 0.00 57.16 57.78 1xhx n GLU 419 Cb 0.37 -2.38 -0.10 0.00 -0.02 0.00 0.00 31.44 29.31 1xhx n GLU 419 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xhx s GLU 420 N -0.13 1.31 -0.07 3.49 2.02 -1.26 -4.96 118.70 119.09 1xhx s GLU 420 Ca 0.71 -1.61 -0.09 0.00 0.02 0.00 0.00 54.97 54.00 1xhx s GLU 420 Cb -0.67 -0.89 0.02 0.00 0.10 0.00 0.00 34.13 32.68 1xhx s GLU 420 CO 0.47 0.07 0.24 0.99 0.02 0.00 0.00 175.26 177.05 1xhx s THR 421 N -3.16 0.02 -0.09 3.63 2.01 -1.26 -2.29 115.64 114.49 1xhx s THR 421 Ca 0.24 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 1xhx s THR 421 Cb 0.02 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1xhx s THR 421 CO 0.07 -0.08 0.01 -0.75 -0.69 0.00 0.00 174.62 173.18 1xhx s LYS 422 N -0.25 3.05 0.14 4.92 2.20 -0.91 -4.94 119.74 123.95 1xhx s LYS 422 Ca -0.04 -0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 54.88 1xhx s LYS 422 Cb -0.03 -2.84 -0.09 0.00 -1.51 0.00 0.00 37.83 33.37 1xhx s LYS 422 CO 0.01 0.70 1.42 -0.51 -0.36 0.00 0.00 175.35 176.61 1xhx s ASP 423 N -0.85 6.77 0.95 1.43 1.01 -1.26 -4.83 116.67 119.88 1xhx s ASP 423 Ca 0.13 2.41 -0.11 0.00 0.71 0.00 0.00 52.55 55.69 1xhx s ASP 423 Cb -0.11 -2.59 0.16 0.00 1.01 0.00 0.00 42.92 41.38 1xhx s ASP 423 CO 0.02 -0.68 1.10 -2.84 0.21 0.00 0.00 175.17 172.98 1xhx s PRO 424 N 0.91 0.81 -0.07 8.23 0.02 -1.26 -5.01 135.00 138.62 1xhx s PRO 424 Ca 0.65 1.12 -0.01 0.00 0.02 0.00 0.00 61.00 62.78 1xhx s PRO 424 Cb -0.38 -1.73 -0.00 0.00 0.02 0.00 0.00 34.50 32.40 1xhx s PRO 424 CO 0.32 -2.64 -0.03 0.28 -0.33 0.00 0.00 177.00 174.60 1xhx h VAL 425 N -1.85 0.00 -0.83 3.83 2.07 -1.92 -3.46 116.25 114.07 1xhx h VAL 425 Ca -0.49 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1xhx h VAL 425 Cb 1.28 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.88 1xhx h VAL 425 CO 0.49 0.00 -0.40 -0.47 0.02 0.00 0.00 177.57 177.20 1xhx s TYR 426 N -1.46 -1.38 0.36 1.57 5.04 -1.26 -4.85 117.35 115.37 1xhx s TYR 426 Ca -0.02 -0.25 0.18 0.00 -2.44 0.00 0.00 57.07 54.54 1xhx s TYR 426 Cb 0.00 0.27 1.20 0.00 0.35 0.00 0.00 41.96 43.78 1xhx s TYR 426 CO 0.03 -1.04 1.64 1.79 -1.34 0.00 0.00 175.55 176.63 1xhx h THR 427 N 4.56 0.19 0.00 4.34 1.35 -1.90 -0.88 112.91 120.57 1xhx h THR 427 Ca 0.04 -0.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 1xhx h THR 427 Cb 1.14 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1xhx h THR 427 CO 0.01 0.04 -0.06 -0.65 -0.25 0.00 0.00 175.52 174.61 1xhx h PRO 428 N 0.20 0.00 -0.19 4.72 0.11 -1.93 -2.41 132.00 132.50 1xhx h PRO 428 Ca 0.78 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.81 1xhx h PRO 428 Cb 1.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 33.03 1xhx h PRO 428 CO -0.64 0.06 -0.19 1.98 -0.21 0.00 0.00 178.00 179.01 1xhx h MET 429 N 0.00 0.46 -0.64 1.05 4.05 -1.45 -2.20 114.93 116.20 1xhx h MET 429 Ca -0.00 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 1xhx h MET 429 Cb 0.15 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1xhx h MET 429 CO 0.01 0.81 0.34 0.78 0.23 0.00 0.00 176.91 179.08 1xhx h GLY 430 N 0.13 0.95 0.85 1.39 0.00 -1.50 -1.20 103.07 103.68 1xhx h GLY 430 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1xhx h GLY 430 CO 0.05 0.40 0.04 -2.08 0.00 0.00 0.00 176.54 174.95 1xhx h VAL 431 N 0.89 1.22 0.07 4.60 2.07 -1.34 -3.09 116.25 120.68 1xhx h VAL 431 Ca 0.23 -0.71 -0.24 0.00 0.82 0.00 0.00 66.70 66.80 1xhx h VAL 431 Cb 0.04 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1xhx h VAL 431 CO -0.04 0.22 -1.11 -0.26 0.02 0.00 0.00 177.57 176.40 1xhx h PHE 432 N 0.15 0.36 -0.06 1.57 -1.00 -1.14 -2.28 116.94 114.54 1xhx h PHE 432 Ca 0.07 -0.25 -0.00 0.00 2.81 0.00 0.00 57.97 60.59 1xhx h PHE 432 Cb 0.29 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 1xhx h PHE 432 CO 0.02 1.16 0.03 0.82 -1.61 0.00 0.00 178.31 178.73 1xhx h ILE 433 N 0.07 1.11 -0.81 -0.55 2.04 -1.33 -0.18 117.51 117.87 1xhx h ILE 433 Ca -0.09 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1xhx h ILE 433 Cb 1.83 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 1xhx h ILE 433 CO 0.17 0.09 0.48 0.74 0.00 0.00 0.00 178.15 179.64 1xhx h THR 434 N -0.03 1.23 -0.68 -0.27 2.02 -1.62 -0.70 112.91 112.86 1xhx h THR 434 Ca 0.02 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1xhx h THR 434 Cb 0.12 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1xhx h THR 434 CO -0.00 0.24 0.40 0.00 0.37 0.00 0.00 175.52 176.53 1xhx h ALA 435 N 1.26 0.86 -0.33 6.16 0.00 -1.08 -0.47 119.26 125.65 1xhx h ALA 435 Ca 0.29 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1xhx h ALA 435 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xhx h ALA 435 CO -0.05 0.35 -0.35 -1.49 0.00 0.00 0.00 179.25 177.70 1xhx h TRP 436 N 0.92 0.90 -0.51 0.00 4.06 -0.65 -1.22 115.95 119.45 1xhx h TRP 436 Ca 0.24 -0.25 0.04 0.00 2.06 0.00 0.00 58.89 60.98 1xhx h TRP 436 Cb -0.02 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 1xhx h TRP 436 CO -0.01 1.00 0.28 0.00 -3.56 0.00 0.00 178.44 176.15 1xhx h ALA 437 N 0.97 0.66 -0.44 1.49 0.00 -0.65 -0.70 119.26 120.59 1xhx h ALA 437 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xhx h ALA 437 Cb 0.89 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1xhx h ALA 437 CO 0.08 -0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.48 1xhx h ARG 438 N 0.55 0.65 -0.74 0.00 3.08 -0.87 -2.65 114.38 114.40 1xhx h ARG 438 Ca 0.22 -0.11 0.08 0.00 0.07 0.00 0.00 59.98 60.25 1xhx h ARG 438 Cb 0.09 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1xhx h ARG 438 CO -0.13 0.58 0.40 -0.92 -1.07 0.00 0.00 179.97 178.82 1xhx h TYR 439 N 0.57 0.72 0.47 3.04 3.20 -0.71 0.14 116.97 124.41 1xhx h TYR 439 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1xhx h TYR 439 Cb 0.15 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1xhx h TYR 439 CO -0.00 0.29 -0.32 1.15 -1.64 0.00 0.00 178.16 177.63 1xhx h THR 440 N 0.68 0.33 -0.10 1.81 2.02 -0.80 -1.58 112.91 115.27 1xhx h THR 440 Ca 0.35 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.53 1xhx h THR 440 Cb 0.32 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1xhx h THR 440 CO -0.24 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.44 1xhx h THR 441 N -0.77 1.13 -0.57 3.16 2.02 -1.19 -2.78 112.91 113.91 1xhx h THR 441 Ca -0.05 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1xhx h THR 441 Cb 0.65 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1xhx h THR 441 CO 0.03 0.12 0.29 0.40 0.37 0.00 0.00 175.52 176.73 1xhx h ILE 442 N 0.02 1.20 -0.24 3.11 2.04 -0.72 0.28 117.51 123.20 1xhx h ILE 442 Ca 0.03 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 1xhx h ILE 442 Cb 0.15 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1xhx h ILE 442 CO -0.00 0.22 -0.24 0.71 0.00 0.00 0.00 178.15 178.83 1xhx h THR 443 N 0.77 1.26 -0.19 -0.27 1.35 -1.30 0.22 112.91 114.75 1xhx h THR 443 Ca 0.20 -1.23 -0.15 0.00 -0.55 0.00 0.00 66.41 64.68 1xhx h THR 443 Cb 0.08 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1xhx h THR 443 CO -0.03 0.39 -0.47 0.00 -0.25 0.00 0.00 175.52 175.16 1xhx h ALA 444 N 1.34 0.31 -0.18 6.62 0.00 -1.24 -1.53 119.26 124.58 1xhx h ALA 444 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1xhx h ALA 444 Cb 0.64 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xhx h ALA 444 CO 0.05 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.83 1xhx h ALA 445 N 0.58 0.23 -0.97 0.00 0.00 -0.71 -2.35 119.26 116.03 1xhx h ALA 445 Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xhx h ALA 445 Cb 1.08 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1xhx h ALA 445 CO 0.10 -0.19 0.63 0.37 0.00 0.00 0.00 179.25 180.16 1xhx h GLN 446 N 0.14 1.16 0.00 0.00 5.75 -0.57 0.62 115.11 122.22 1xhx h GLN 446 Ca 0.06 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1xhx h GLN 446 Cb 0.15 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 28.43 1xhx h GLN 446 CO -0.01 0.77 -0.07 0.00 -2.65 0.00 0.00 178.83 176.87 1xhx h ALA 447 N 1.41 1.33 -0.54 3.38 0.00 -0.99 -1.47 119.26 122.38 1xhx h ALA 447 Ca 0.40 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.95 1xhx h ALA 447 Cb 0.06 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.67 1xhx h ALA 447 CO -0.14 0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.29 1xhx h TYR 449 N 1.07 0.40 0.00 0.00 3.20 -0.52 0.14 116.97 121.27 1xhx h TYR 449 Ca 0.34 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1xhx h TYR 449 Cb 1.92 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.15 1xhx h TYR 449 CO 1.19 -0.19 0.00 0.38 -1.64 0.00 0.00 178.16 177.90 1xhx h ASP 450 N 0.23 0.00 0.00 -2.11 2.03 -1.87 -3.16 116.42 111.54 1xhx h ASP 450 Ca 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1xhx h ASP 450 Cb 1.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1xhx h ASP 450 CO -0.64 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.11 1xhx n ARG 451 N -2.77 1.91 -2.01 4.15 1.74 0.26 -4.99 116.66 114.94 1xhx n ARG 451 Ca -0.01 -0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 1xhx n ARG 451 Cb 0.17 -0.78 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 1xhx n ARG 451 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1xhx s ILE 452 N -0.36 2.88 -0.11 0.55 1.10 0.15 -1.47 121.20 123.94 1xhx s ILE 452 Ca 0.00 0.61 -0.08 0.00 -0.51 0.00 0.00 60.65 60.67 1xhx s ILE 452 Cb 0.00 -3.39 -0.05 0.00 0.15 0.00 0.00 42.46 39.17 1xhx s ILE 452 CO 0.00 0.04 -0.19 -0.38 -2.11 0.00 0.00 174.94 172.31 1xhx n ILE 453 N 4.03 0.99 -3.77 2.00 5.41 0.66 -4.82 119.36 123.86 1xhx n ILE 453 Ca 0.13 -0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.71 1xhx n ILE 453 Cb 0.40 -1.80 -0.09 0.00 -0.71 0.00 0.00 39.64 37.44 1xhx n ILE 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1xhx s TYR 454 N -2.34 -0.22 -0.03 1.39 5.04 -1.08 -0.79 117.35 119.33 1xhx s TYR 454 Ca -0.18 0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.92 1xhx s TYR 454 Cb 0.06 0.09 -0.00 0.00 0.35 0.00 0.00 41.96 42.46 1xhx s TYR 454 CO 0.24 -0.31 -0.14 0.00 -1.34 0.00 0.00 175.55 174.01 1xhx s ASP 456 N 0.04 1.37 0.00 0.00 2.15 -0.81 -0.74 116.67 118.68 1xhx s ASP 456 Ca -0.02 -1.54 0.00 0.00 0.43 0.00 0.00 52.55 51.42 1xhx s ASP 456 Cb -0.09 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 1xhx s ASP 456 CO 0.01 -0.28 0.00 0.41 -0.17 0.00 0.00 175.17 175.14 1xhx n THR 457 N 4.35 0.00 -1.07 1.71 -1.04 0.10 -2.64 114.28 115.69 1xhx n THR 457 Ca 0.10 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.19 1xhx n THR 457 Cb 0.45 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.07 1xhx n THR 457 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1xhx n ASP 458 N 1.29 2.03 -4.02 8.00 3.85 -1.26 -4.64 116.55 121.79 1xhx n ASP 458 Ca 0.00 -2.84 -0.08 0.00 -0.71 0.00 0.00 54.79 51.16 1xhx n ASP 458 Cb 0.00 -0.36 -0.11 0.00 -1.35 0.00 0.00 41.12 39.31 1xhx n ASP 458 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1xhx s SER 459 N -2.46 0.33 -0.02 -1.12 1.04 -1.08 -1.12 113.70 109.27 1xhx s SER 459 Ca 0.25 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1xhx s SER 459 Cb 0.22 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1xhx s SER 459 CO 0.02 -0.43 -0.06 0.27 0.98 0.00 0.00 173.24 174.02 1xhx s ILE 460 N -2.47 0.55 -0.14 -1.02 -4.36 -0.42 -1.92 121.20 111.42 1xhx s ILE 460 Ca -0.06 -0.25 -0.02 0.00 -0.26 0.00 0.00 60.65 60.06 1xhx s ILE 460 Cb -0.03 -0.50 -0.02 0.00 1.25 0.00 0.00 42.46 43.16 1xhx s ILE 460 CO -0.05 0.18 -0.08 -1.00 0.24 0.00 0.00 174.94 174.24 1xhx s HIS 461 N 0.16 2.93 0.16 1.37 3.76 0.89 -1.44 115.29 123.12 1xhx s HIS 461 Ca -0.02 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.58 1xhx s HIS 461 Cb -0.06 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 1xhx s HIS 461 CO -0.00 -0.05 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.16 1xhx s LEU 462 N 0.21 2.45 0.52 0.89 1.43 0.04 -0.24 118.68 123.98 1xhx s LEU 462 Ca -0.05 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.05 1xhx s LEU 462 Cb -0.14 -0.70 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 1xhx s LEU 462 CO 0.04 -0.10 0.94 0.42 0.23 0.00 0.00 176.35 177.87 1xhx s THR 463 N -2.28 4.66 0.00 5.49 -4.23 -0.54 -0.63 115.64 118.10 1xhx s THR 463 Ca 0.15 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1xhx s THR 463 Cb -0.04 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1xhx s THR 463 CO 0.05 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1xhx n GLY 464 N -1.89 -0.84 0.05 3.99 0.00 -0.11 -4.73 105.19 101.67 1xhx n GLY 464 Ca 0.05 -1.65 0.01 0.00 0.00 0.00 0.00 46.02 44.43 1xhx n GLY 464 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xhx n THR 465 N -0.78 0.00 -3.69 2.61 -2.24 -1.26 -3.05 114.28 105.86 1xhx n THR 465 Ca 0.00 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.92 1xhx n THR 465 Cb 0.00 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1xhx n THR 465 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xhx s GLU 466 N -0.40 3.67 0.10 -0.78 2.02 -1.26 -5.00 118.70 117.05 1xhx s GLU 466 Ca 0.02 0.12 -0.31 0.00 0.02 0.00 0.00 54.97 54.82 1xhx s GLU 466 Cb 0.01 -3.18 -0.08 0.00 0.10 0.00 0.00 34.13 30.98 1xhx s GLU 466 CO 0.03 0.72 1.56 0.42 0.02 0.00 0.00 175.26 178.01 1xhx s ILE 467 N -1.10 3.02 0.27 -1.63 1.01 -1.26 -4.93 121.20 116.57 1xhx s ILE 467 Ca 0.21 0.61 -0.31 0.00 0.00 0.00 0.00 60.65 61.16 1xhx s ILE 467 Cb -0.14 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 1xhx s ILE 467 CO 0.10 0.02 1.64 -2.65 0.00 0.00 0.00 174.94 174.06 1xhx n PRO 468 N 4.82 2.74 -0.09 2.79 -0.02 -1.26 -4.87 135.00 139.11 1xhx n PRO 468 Ca 0.14 0.98 0.06 0.00 -2.02 0.00 0.00 63.50 62.66 1xhx n PRO 468 Cb 0.40 -2.79 0.41 0.00 -0.02 0.00 0.00 33.50 31.50 1xhx n PRO 468 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xhx h ASP 469 N 5.45 0.53 0.26 2.55 3.32 -2.00 -2.19 116.42 124.34 1xhx h ASP 469 Ca -0.46 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xhx h ASP 469 Cb 1.22 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1xhx h ASP 469 CO 0.85 0.36 -0.01 1.62 -1.72 0.00 0.00 179.24 180.34 1xhx h VAL 470 N 0.62 0.05 -0.07 -1.35 3.04 -1.93 -2.73 116.25 113.87 1xhx h VAL 470 Ca 0.24 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1xhx h VAL 470 Cb 0.17 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1xhx h VAL 470 CO -0.07 0.01 0.00 2.30 -1.01 0.00 0.00 177.57 178.80 1xhx n ILE 471 N -3.14 0.53 -0.21 3.17 -5.35 -0.84 -4.70 119.36 108.81 1xhx n ILE 471 Ca -0.02 -0.76 0.20 0.00 -0.27 0.00 0.00 62.75 61.89 1xhx n ILE 471 Cb 0.13 0.78 0.55 0.00 -1.74 0.00 0.00 39.64 39.36 1xhx n ILE 471 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1xhx h LYS 472 N 0.82 0.33 -0.05 6.28 1.57 -1.26 -1.76 116.57 122.49 1xhx h LYS 472 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1xhx h LYS 472 Cb 0.40 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1xhx h LYS 472 CO 0.00 0.22 -0.35 -0.44 -0.57 0.00 0.00 179.45 178.31 1xhx h ASP 473 N 0.34 0.10 -0.45 0.86 3.32 -1.84 -3.11 116.42 115.63 1xhx h ASP 473 Ca 0.44 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1xhx h ASP 473 Cb 1.18 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1xhx h ASP 473 CO -0.14 0.44 0.00 2.30 -1.72 0.00 0.00 179.24 180.13 1xhx n ILE 474 N -4.10 2.38 -3.94 0.35 -5.35 -0.67 -4.95 119.36 103.08 1xhx n ILE 474 Ca -0.02 -1.55 -0.36 0.00 -0.27 0.00 0.00 62.75 60.56 1xhx n ILE 474 Cb 0.41 -0.18 -0.08 0.00 -1.74 0.00 0.00 39.64 38.05 1xhx n ILE 474 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xhx s VAL 475 N -2.59 5.18 -0.29 7.28 1.01 -1.15 -0.24 120.40 129.60 1xhx s VAL 475 Ca 0.48 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 1xhx s VAL 475 Cb 0.36 -3.29 0.16 0.00 0.00 0.00 0.00 36.38 33.61 1xhx s VAL 475 CO 0.14 0.54 1.11 -0.62 0.00 0.00 0.00 175.10 176.28 1xhx s ASP 476 N -0.38 -0.34 0.39 3.32 -1.08 0.12 -4.86 116.67 113.83 1xhx s ASP 476 Ca 0.11 0.60 0.13 0.00 -0.52 0.00 0.00 52.55 52.86 1xhx s ASP 476 Cb -0.12 0.91 0.95 0.00 -1.46 0.00 0.00 42.92 43.20 1xhx s ASP 476 CO 0.01 -0.10 1.89 -0.65 0.52 0.00 0.00 175.17 176.84 1xhx h PRO 477 N 4.92 0.52 0.00 4.34 0.11 -1.94 -3.30 132.00 136.66 1xhx h PRO 477 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xhx h PRO 477 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xhx h PRO 477 CO 0.18 0.34 -0.52 1.63 -0.21 0.00 0.00 178.00 179.42 1xhx n LYS 478 N -4.52 2.09 -1.59 1.05 4.76 -1.26 -4.88 118.16 113.81 1xhx n LYS 478 Ca 0.16 0.00 -0.52 0.00 -2.87 0.00 0.00 58.31 55.09 1xhx n LYS 478 Cb 0.53 -0.76 -0.06 0.00 -1.84 0.00 0.00 35.03 32.90 1xhx n LYS 478 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xhx n LYS 479 N -1.26 1.20 -1.68 1.97 5.02 -1.26 -4.84 118.16 117.30 1xhx n LYS 479 Ca 0.00 0.43 -0.45 0.00 -2.02 0.00 0.00 58.31 56.27 1xhx n LYS 479 Cb 0.25 -2.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 1xhx n LYS 479 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xhx n LEU 480 N 2.56 3.70 0.00 -0.35 7.94 -1.26 -1.95 117.00 127.64 1xhx n LEU 480 Ca 0.18 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1xhx n LEU 480 Cb 0.20 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.68 1xhx n LEU 480 CO 0.62 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.53 1xhx n GLY 481 N 4.16 0.94 3.92 -3.96 0.00 -0.69 -4.98 105.19 104.58 1xhx n GLY 481 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1xhx n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhx s TYR 482 N -3.53 3.48 -0.10 1.61 2.02 -0.82 -4.79 117.35 115.22 1xhx s TYR 482 Ca 0.00 0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.85 1xhx s TYR 482 Cb 0.00 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1xhx s TYR 482 CO 0.00 0.35 0.96 -1.58 -1.57 0.00 0.00 175.55 173.71 1xhx s TRP 483 N -1.87 3.52 -0.13 2.71 0.52 0.67 -1.69 118.94 122.67 1xhx s TRP 483 Ca 0.40 1.53 -0.09 0.00 0.02 0.00 0.00 56.10 57.96 1xhx s TRP 483 Cb -0.11 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.04 1xhx s TRP 483 CO 0.28 -0.18 0.17 0.00 0.02 0.00 0.00 176.95 177.24 1xhx s ALA 484 N 1.84 3.81 -0.62 0.98 0.00 0.14 0.10 121.76 128.01 1xhx s ALA 484 Ca 0.46 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 1xhx s ALA 484 Cb -0.18 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1xhx s ALA 484 CO 0.18 0.48 1.62 -1.58 0.00 0.00 0.00 175.76 176.46 1xhx s HIS 485 N -0.64 1.95 0.05 0.00 2.46 -1.26 -1.01 115.29 116.84 1xhx s HIS 485 Ca 0.14 0.50 -0.05 0.00 0.47 0.00 0.00 55.06 56.13 1xhx s HIS 485 Cb -0.12 -4.29 -0.29 0.00 -0.13 0.00 0.00 32.58 27.75 1xhx s HIS 485 CO 0.03 -2.22 1.04 1.49 -2.47 0.00 0.00 174.74 172.62 1xhx h GLU 486 N 12.84 0.28 -1.87 2.88 4.81 -1.45 -3.49 114.58 128.58 1xhx h GLU 486 Ca -0.27 -0.48 0.24 0.00 -0.13 0.00 0.00 59.36 58.72 1xhx h GLU 486 Cb 1.12 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 30.56 1xhx h GLU 486 CO 1.22 1.20 0.67 -1.54 -0.73 0.00 0.00 179.01 179.82 1xhx s SER 487 N -7.11 -0.14 -0.01 1.04 1.04 -1.16 -4.82 113.70 102.54 1xhx s SER 487 Ca -0.06 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1xhx s SER 487 Cb 0.07 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.49 1xhx s SER 487 CO 0.88 -0.55 -0.07 -0.89 0.98 0.00 0.00 173.24 173.59 1xhx s THR 488 N -2.82 0.53 0.22 2.02 2.01 -1.26 -0.71 115.64 115.64 1xhx s THR 488 Ca 0.12 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 61.96 1xhx s THR 488 Cb 0.01 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1xhx s THR 488 CO -0.02 0.16 -0.22 0.72 -0.69 0.00 0.00 174.62 174.56 1xhx s PHE 489 N -0.08 2.26 -0.01 4.92 -0.12 0.77 -1.69 117.98 124.04 1xhx s PHE 489 Ca 0.01 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 1xhx s PHE 489 Cb -0.04 -1.08 -0.25 0.00 -0.63 0.00 0.00 43.02 41.03 1xhx s PHE 489 CO -0.00 0.55 0.80 -0.22 -0.05 0.00 0.00 175.22 176.30 1xhx h LYS 490 N 2.95 0.12 -3.07 1.99 3.64 -0.70 -2.47 116.57 119.03 1xhx h LYS 490 Ca -0.44 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 58.69 1xhx h LYS 490 Cb 1.22 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.99 1xhx h LYS 490 CO 0.51 0.88 0.08 -0.98 -2.27 0.00 0.00 179.45 177.68 1xhx s ARG 491 N -2.62 1.15 0.26 1.90 1.70 -1.23 -2.83 118.95 117.29 1xhx s ARG 491 Ca -0.07 -0.49 -0.22 0.00 -0.47 0.00 0.00 55.73 54.48 1xhx s ARG 491 Cb 0.08 0.52 0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1xhx s ARG 491 CO 0.83 -0.47 0.75 0.00 -1.08 0.00 0.00 175.30 175.33 1xhx s ALA 492 N -3.46 -1.29 -0.24 7.88 0.00 -0.70 -1.41 121.76 122.54 1xhx s ALA 492 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1xhx s ALA 492 Cb 0.00 0.82 0.10 0.00 0.00 0.00 0.00 23.12 24.05 1xhx s ALA 492 CO -0.10 -1.03 0.53 0.21 0.00 0.00 0.00 175.76 175.37 1xhx s LYS 493 N -3.83 0.45 -0.26 0.00 2.20 -0.79 -0.20 119.74 117.32 1xhx s LYS 493 Ca 0.11 1.21 -0.06 0.00 -0.36 0.00 0.00 55.97 56.86 1xhx s LYS 493 Cb -0.05 0.53 -0.01 0.00 -1.51 0.00 0.00 37.83 36.79 1xhx s LYS 493 CO 0.06 -0.22 0.05 0.71 -0.36 0.00 0.00 175.35 175.58 1xhx s TYR 494 N 2.62 3.07 -0.06 4.03 1.51 -1.26 -1.68 117.35 125.59 1xhx s TYR 494 Ca -0.04 -0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 55.15 1xhx s TYR 494 Cb -0.11 -2.21 -0.30 0.00 -0.11 0.00 0.00 41.96 39.22 1xhx s TYR 494 CO -0.16 -0.48 0.67 -0.07 -1.11 0.00 0.00 175.55 174.41 1xhx h LEU 495 N 8.21 0.56 0.00 -1.29 3.38 -1.62 0.29 115.31 124.84 1xhx h LEU 495 Ca -0.37 -0.92 0.18 0.00 0.09 0.00 0.00 57.88 56.87 1xhx h LEU 495 Cb 1.16 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1xhx h LEU 495 CO 0.59 1.72 0.52 -2.11 0.09 0.00 0.00 178.44 179.25 1xhx n ARG 496 N -3.73 0.24 -1.59 1.13 1.85 -1.18 -4.26 116.66 109.12 1xhx n ARG 496 Ca -0.24 -0.68 -0.50 0.00 -1.00 0.00 0.00 57.85 55.43 1xhx n ARG 496 Cb 1.01 1.02 -0.05 0.00 -1.05 0.00 0.00 32.46 33.40 1xhx n ARG 496 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1xhx n GLN 497 N -0.56 1.23 -1.16 2.89 6.02 -1.26 -0.92 117.38 123.62 1xhx n GLN 497 Ca 0.01 0.44 -0.06 0.00 -0.01 0.00 0.00 57.00 57.39 1xhx n GLN 497 Cb 0.38 -2.03 -0.02 0.00 1.02 0.00 0.00 30.24 29.59 1xhx n GLN 497 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xhx n LYS 498 N 2.24 -1.80 -3.79 -1.09 5.02 -1.26 -4.92 118.16 112.55 1xhx n LYS 498 Ca 0.17 0.69 -0.30 0.00 -2.02 0.00 0.00 58.31 56.85 1xhx n LYS 498 Cb 0.22 -5.12 -0.15 0.00 -0.02 0.00 0.00 35.03 29.96 1xhx n LYS 498 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xhx s THR 499 N -1.50 1.13 0.26 -0.18 2.01 -0.09 -3.53 115.64 113.73 1xhx s THR 499 Ca 0.00 -1.53 -0.21 0.00 0.31 0.00 0.00 61.69 60.26 1xhx s THR 499 Cb 0.00 -1.83 0.04 0.00 0.01 0.00 0.00 72.50 70.73 1xhx s THR 499 CO 0.00 -0.62 0.83 -0.72 -0.69 0.00 0.00 174.62 173.41 1xhx s TYR 500 N 1.49 -0.09 0.03 4.92 -0.85 0.65 -1.50 117.35 122.00 1xhx s TYR 500 Ca 0.09 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 1xhx s TYR 500 Cb -0.18 0.71 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1xhx s TYR 500 CO -0.21 -1.16 -0.04 0.96 -1.52 0.00 0.00 175.55 173.58 1xhx s ILE 501 N -3.30 0.24 -0.01 -3.49 -4.36 -0.68 -0.22 121.20 109.38 1xhx s ILE 501 Ca 0.13 -1.10 -0.13 0.00 -0.26 0.00 0.00 60.65 59.29 1xhx s ILE 501 Cb -0.04 -0.55 0.02 0.00 1.25 0.00 0.00 42.46 43.14 1xhx s ILE 501 CO 0.06 -0.55 0.26 -1.10 0.24 0.00 0.00 174.94 173.85 1xhx s GLN 502 N -1.89 0.61 -0.56 0.37 -0.21 -0.44 -1.88 119.66 115.66 1xhx s GLN 502 Ca -0.11 -0.23 -0.11 0.00 0.02 0.00 0.00 55.36 54.93 1xhx s GLN 502 Cb -0.07 0.27 0.14 0.00 1.00 0.00 0.00 33.01 34.34 1xhx s GLN 502 CO -0.02 -0.16 0.46 -0.51 -2.12 0.00 0.00 175.29 172.94 1xhx s ASP 503 N -1.29 5.95 -0.02 5.90 1.01 -0.50 -0.54 116.67 127.19 1xhx s ASP 503 Ca -0.13 -2.07 -0.24 0.00 0.71 0.00 0.00 52.55 50.81 1xhx s ASP 503 Cb -0.06 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 1xhx s ASP 503 CO 0.03 -0.69 0.73 -0.63 0.21 0.00 0.00 175.17 174.82 1xhx s ILE 504 N 1.13 4.92 0.05 0.77 -1.09 0.21 -0.00 121.20 127.18 1xhx s ILE 504 Ca 0.08 1.53 -0.31 0.00 -2.23 0.00 0.00 60.65 59.72 1xhx s ILE 504 Cb -0.24 -4.08 -0.07 0.00 -1.58 0.00 0.00 42.46 36.49 1xhx s ILE 504 CO -0.01 0.30 1.39 -0.31 -1.23 0.00 0.00 174.94 175.07 1xhx s TYR 505 N 0.43 3.04 0.09 3.97 1.51 -0.68 -0.32 117.35 125.39 1xhx s TYR 505 Ca 0.38 0.90 0.06 0.00 -1.01 0.00 0.00 57.07 57.40 1xhx s TYR 505 Cb -0.19 -3.66 -0.03 0.00 -0.11 0.00 0.00 41.96 37.97 1xhx s TYR 505 CO 0.20 -2.37 -0.17 -1.64 -1.11 0.00 0.00 175.55 170.47 1xhx s MET 506 N 1.77 0.96 -0.04 -0.62 -1.94 0.06 -0.93 119.30 118.56 1xhx s MET 506 Ca 0.64 -1.07 0.05 0.00 -1.71 0.00 0.00 55.69 53.60 1xhx s MET 506 Cb -0.34 -1.04 -0.00 0.00 2.01 0.00 0.00 34.83 35.46 1xhx s MET 506 CO 0.28 0.23 -0.18 -1.59 -0.01 0.00 0.00 175.02 173.76 1xhx s LYS 507 N -1.93 1.77 -0.46 2.03 -2.85 0.75 0.84 119.74 119.88 1xhx s LYS 507 Ca 0.03 -0.62 -0.28 0.00 -1.00 0.00 0.00 55.97 54.09 1xhx s LYS 507 Cb -0.09 -1.55 0.03 0.00 -2.06 0.00 0.00 37.83 34.15 1xhx s LYS 507 CO 0.03 0.27 1.10 -2.00 0.10 0.00 0.00 175.35 174.85 1xhx s GLU 508 N -0.03 3.72 -0.09 1.78 2.12 -1.26 -1.63 118.70 123.30 1xhx s GLU 508 Ca -0.02 0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.86 1xhx s GLU 508 Cb -0.11 -3.90 0.02 0.00 0.26 0.00 0.00 34.13 30.40 1xhx s GLU 508 CO 0.02 -1.32 -0.11 0.08 -0.54 0.00 0.00 175.26 173.39 1xhx s VAL 509 N 4.29 1.15 -1.39 3.70 1.01 0.59 -4.81 120.40 124.94 1xhx s VAL 509 Ca 0.46 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1xhx s VAL 509 Cb -0.08 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1xhx s VAL 509 CO 0.30 0.38 0.83 0.47 0.00 0.00 0.00 175.10 177.07 1xhx n ASP 510 N 4.37 -2.71 -1.05 3.32 8.00 -1.26 -1.83 116.55 125.38 1xhx n ASP 510 Ca -0.18 -0.79 -0.12 0.00 0.71 0.00 0.00 54.79 54.40 1xhx n ASP 510 Cb 0.51 -4.04 -0.04 0.00 -0.02 0.00 0.00 41.12 37.53 1xhx n ASP 510 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhx n GLY 511 N -1.64 1.01 3.24 0.44 0.00 -1.26 -5.00 105.19 101.99 1xhx n GLY 511 Ca -0.16 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1xhx n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhx s LYS 512 N -3.39 0.67 -0.10 1.61 1.02 -0.76 -5.14 119.74 113.65 1xhx s LYS 512 Ca 0.00 -0.17 -0.26 0.00 0.02 0.00 0.00 55.97 55.56 1xhx s LYS 512 Cb 0.00 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1xhx s LYS 512 CO 0.00 -0.18 0.84 -0.51 -0.92 0.00 0.00 175.35 174.57 1xhx s LEU 513 N -1.29 4.27 0.10 3.17 1.43 -1.26 -0.30 118.68 124.79 1xhx s LEU 513 Ca -0.13 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 1xhx s LEU 513 Cb -0.05 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1xhx s LEU 513 CO 0.04 -0.28 -0.09 0.68 0.23 0.00 0.00 176.35 176.93 1xhx s VAL 514 N 1.47 0.85 0.19 -1.59 -7.23 -0.64 -4.96 120.40 108.49 1xhx s VAL 514 Ca 0.42 -1.71 -0.33 0.00 -1.81 0.00 0.00 61.98 58.55 1xhx s VAL 514 Cb -0.18 -1.42 -0.14 0.00 0.56 0.00 0.00 36.38 35.19 1xhx s VAL 514 CO 0.18 -0.65 1.36 -0.62 -0.31 0.00 0.00 175.10 175.06 1xhx n GLU 515 N 0.41 1.71 0.00 4.82 4.71 -1.26 -0.18 120.64 130.85 1xhx n GLU 515 Ca -0.15 0.61 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 1xhx n GLU 515 Cb 0.59 -2.24 0.00 0.00 -1.01 0.00 0.00 31.44 28.77 1xhx n GLU 515 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xhx n GLY 516 N 2.38 5.81 3.60 0.62 0.00 -0.10 -4.56 105.19 112.93 1xhx n GLY 516 Ca 0.14 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1xhx n GLY 516 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xhx s SER 517 N 1.00 0.09 0.51 1.61 1.04 -0.83 -4.24 113.70 112.87 1xhx s SER 517 Ca 0.00 -1.03 0.22 0.00 0.48 0.00 0.00 55.95 55.62 1xhx s SER 517 Cb 0.00 0.63 1.31 0.00 0.10 0.00 0.00 66.02 68.06 1xhx s SER 517 CO 0.00 -1.23 1.99 -0.65 0.98 0.00 0.00 173.24 174.33 1xhx h PRO 518 N 2.19 0.09 -0.01 4.02 0.11 -1.96 -1.18 132.00 135.26 1xhx h PRO 518 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xhx h PRO 518 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xhx h PRO 518 CO 0.36 0.06 -0.36 -0.25 -0.21 0.00 0.00 178.00 177.59 1xhx n ASP 519 N -4.41 1.15 -3.14 -2.05 8.00 -1.26 -4.66 116.55 110.17 1xhx n ASP 519 Ca 0.10 -0.93 -0.07 0.00 0.71 0.00 0.00 54.79 54.59 1xhx n ASP 519 Cb 0.54 0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 1xhx n ASP 519 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xhx s ASP 520 N -2.58 -0.65 0.12 -2.24 2.15 -0.45 -5.15 116.67 107.87 1xhx s ASP 520 Ca 0.21 -1.40 -0.09 0.00 0.43 0.00 0.00 52.55 51.70 1xhx s ASP 520 Cb 0.19 1.44 -0.00 0.00 -0.30 0.00 0.00 42.92 44.24 1xhx s ASP 520 CO 0.57 -0.16 0.25 -0.72 -0.17 0.00 0.00 175.17 174.94 1xhx s TYR 521 N 1.36 0.21 0.00 -5.34 -0.85 -1.17 -1.97 117.35 109.59 1xhx s TYR 521 Ca 0.21 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1xhx s TYR 521 Cb -0.05 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.26 1xhx s TYR 521 CO -0.06 -0.63 0.00 2.41 -1.52 0.00 0.00 175.55 175.75 1xhx n THR 522 N -0.14 0.00 -4.07 -3.49 -1.04 0.25 -4.91 114.28 100.87 1xhx n THR 522 Ca -0.12 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.80 1xhx n THR 522 Cb 0.63 -0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 68.70 1xhx n THR 522 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1xhx s ASP 523 N -2.01 0.24 -0.28 8.00 1.11 -0.27 -4.98 116.67 118.48 1xhx s ASP 523 Ca 0.00 -1.05 0.03 0.00 0.18 0.00 0.00 52.55 51.71 1xhx s ASP 523 Cb 0.00 0.33 0.07 0.00 1.07 0.00 0.00 42.92 44.39 1xhx s ASP 523 CO 0.00 -0.76 -0.07 -0.63 1.18 0.00 0.00 175.17 174.90 1xhx s ILE 524 N -4.00 2.17 -0.15 0.77 -1.09 -1.26 -0.76 121.20 116.88 1xhx s ILE 524 Ca 0.19 -1.80 -0.06 0.00 -2.23 0.00 0.00 60.65 56.74 1xhx s ILE 524 Cb 0.06 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1xhx s ILE 524 CO -0.01 -0.18 0.06 -0.75 -1.23 0.00 0.00 174.94 172.83 1xhx s LYS 525 N 1.06 3.69 -0.02 2.79 2.20 0.56 -4.83 119.74 125.19 1xhx s LYS 525 Ca -0.04 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1xhx s LYS 525 Cb -0.20 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1xhx s LYS 525 CO -0.06 0.44 1.01 0.12 -0.36 0.00 0.00 175.35 176.49 1xhx s PHE 526 N -0.10 3.60 -0.05 4.03 5.36 -1.26 0.65 117.98 130.21 1xhx s PHE 526 Ca 0.07 1.64 0.03 0.00 -0.96 0.00 0.00 56.93 57.70 1xhx s PHE 526 Cb -0.12 -3.16 0.01 0.00 -0.34 0.00 0.00 43.02 39.40 1xhx s PHE 526 CO 0.01 -0.18 -0.13 0.45 -1.46 0.00 0.00 175.22 173.91 1xhx s SER 527 N 1.04 1.78 -0.12 6.13 0.15 0.30 -4.97 113.70 118.01 1xhx s SER 527 Ca 0.52 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.90 1xhx s SER 527 Cb -0.21 -0.67 0.01 0.00 -1.71 0.00 0.00 66.02 63.44 1xhx s SER 527 CO 0.26 0.07 -0.21 -0.69 1.20 0.00 0.00 173.24 173.87 1xhx s VAL 528 N 0.40 1.91 -0.23 4.45 1.01 -1.26 -1.33 120.40 125.34 1xhx s VAL 528 Ca -0.09 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1xhx s VAL 528 Cb -0.13 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1xhx s VAL 528 CO 0.03 0.52 -0.11 -0.54 0.00 0.00 0.00 175.10 175.00 1xhx s LYS 529 N 0.73 2.80 -0.30 2.72 -0.14 0.70 -5.01 119.74 121.24 1xhx s LYS 529 Ca -0.10 -0.99 -0.08 0.00 -1.36 0.00 0.00 55.97 53.44 1xhx s LYS 529 Cb -0.16 -2.85 0.17 0.00 -1.68 0.00 0.00 37.83 33.31 1xhx s LYS 529 CO 0.01 -0.37 0.80 0.00 -0.76 0.00 0.00 175.35 175.03 1xhx n ALA 531 N 5.36 0.62 0.00 0.00 0.00 -1.26 -2.08 120.51 123.15 1xhx n ALA 531 Ca -0.06 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1xhx n ALA 531 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1xhx n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xhx n GLY 532 N 1.01 2.55 3.77 0.00 0.00 -1.26 -4.99 105.19 106.26 1xhx n GLY 532 Ca 0.08 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1xhx n GLY 532 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xhx s MET 533 N 0.00 3.94 0.37 1.61 0.00 -0.88 -5.03 119.30 119.31 1xhx s MET 533 Ca 0.00 2.04 0.07 0.00 0.00 0.00 0.00 55.69 57.81 1xhx s MET 533 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 34.83 32.13 1xhx s MET 533 CO 0.00 -0.47 0.48 0.95 0.00 0.00 0.00 175.02 175.97 1xhx s THR 534 N -1.32 3.54 0.37 10.11 -4.23 -1.26 -4.97 115.64 117.88 1xhx s THR 534 Ca 0.58 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1xhx s THR 534 Cb -0.35 -3.21 0.16 0.00 1.34 0.00 0.00 72.50 70.43 1xhx s THR 534 CO 0.45 -0.09 1.90 0.44 -0.54 0.00 0.00 174.62 176.78 1xhx h ASP 535 N 0.86 0.35 -0.18 3.99 3.32 -1.98 0.03 116.42 122.80 1xhx h ASP 535 Ca -0.43 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.42 1xhx h ASP 535 Cb 1.26 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1xhx h ASP 535 CO 0.51 0.46 -0.34 0.11 -1.72 0.00 0.00 179.24 178.26 1xhx h LYS 536 N 0.36 0.69 0.00 3.56 1.57 -2.01 -2.88 116.57 117.86 1xhx h LYS 536 Ca 0.08 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1xhx h LYS 536 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1xhx h LYS 536 CO 0.02 0.93 -0.61 0.82 -0.57 0.00 0.00 179.45 180.04 1xhx h ILE 537 N 0.58 1.10 0.00 1.86 2.04 -1.82 -3.20 117.51 118.07 1xhx h ILE 537 Ca 0.06 -2.40 -0.07 0.00 1.00 0.00 0.00 64.86 63.45 1xhx h ILE 537 Cb 0.86 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1xhx h ILE 537 CO 0.07 0.60 -0.32 0.11 0.00 0.00 0.00 178.15 178.61 1xhx h LYS 538 N 0.00 0.00 0.00 2.37 1.57 -0.80 -2.49 116.57 117.22 1xhx h LYS 538 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xhx h LYS 538 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1xhx h LYS 538 CO 0.08 0.32 0.00 0.87 -0.57 0.00 0.00 179.45 180.15 1xhx h LYS 539 N 0.00 0.00 -0.67 3.15 1.57 -1.51 -2.60 116.57 116.51 1xhx h LYS 539 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xhx h LYS 539 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xhx h LYS 539 CO 0.04 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 1xhx n GLU 540 N -2.69 2.55 -3.42 3.15 1.02 -0.94 -4.94 120.64 115.37 1xhx n GLU 540 Ca 0.01 -2.40 -0.38 0.00 -0.02 0.00 0.00 57.16 54.36 1xhx n GLU 540 Cb 0.22 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1xhx n GLU 540 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xhx s VAL 541 N -1.11 4.93 0.16 2.62 1.01 -0.98 -5.00 120.40 122.03 1xhx s VAL 541 Ca 0.45 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1xhx s VAL 541 Cb 0.23 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1xhx s VAL 541 CO 0.30 0.55 0.05 0.42 0.00 0.00 0.00 175.10 176.42 1xhx s THR 542 N -1.11 0.32 0.44 3.92 -4.23 -1.26 -4.98 115.64 108.74 1xhx s THR 542 Ca 0.26 -1.95 0.12 0.00 -1.18 0.00 0.00 61.69 58.94 1xhx s THR 542 Cb -0.17 -2.17 0.22 0.00 1.34 0.00 0.00 72.50 71.72 1xhx s THR 542 CO 0.16 -0.38 2.03 -0.26 -0.54 0.00 0.00 174.62 175.63 1xhx h PHE 543 N 2.74 0.18 0.08 3.99 -1.00 -1.98 0.32 116.94 121.28 1xhx h PHE 543 Ca -0.36 -0.01 -0.28 0.00 2.81 0.00 0.00 57.97 60.14 1xhx h PHE 543 Cb 1.21 -0.06 0.02 0.00 3.61 0.00 0.00 35.95 40.73 1xhx h PHE 543 CO 0.46 0.21 -1.16 0.93 -1.61 0.00 0.00 178.31 177.14 1xhx h GLU 544 N 0.18 0.53 -0.31 1.51 3.07 -2.02 -3.34 114.58 114.21 1xhx h GLU 544 Ca 0.04 -0.68 -0.12 0.00 -0.50 0.00 0.00 59.36 58.11 1xhx h GLU 544 Cb 0.16 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1xhx h GLU 544 CO 0.00 1.29 -0.27 -0.97 -1.40 0.00 0.00 179.01 177.66 1xhx h ASN 545 N 0.24 0.77 -2.13 1.42 -1.24 -1.78 -3.44 115.58 109.43 1xhx h ASN 545 Ca -0.15 -0.46 -0.55 0.00 0.71 0.00 0.00 56.30 55.85 1xhx h ASN 545 Cb 1.83 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.65 1xhx h ASN 545 CO 0.21 1.07 1.44 0.12 -1.29 0.00 0.00 177.43 178.98 1xhx s PHE 546 N -4.41 1.39 -0.18 0.67 5.36 0.11 -4.76 117.98 116.15 1xhx s PHE 546 Ca -0.12 0.78 -0.35 0.00 -0.96 0.00 0.00 56.93 56.28 1xhx s PHE 546 Cb 0.09 -3.94 0.14 0.00 -0.34 0.00 0.00 43.02 38.97 1xhx s PHE 546 CO 0.83 -3.29 1.19 -1.59 -1.46 0.00 0.00 175.22 170.90 1xhx s LYS 547 N 6.56 0.33 0.19 10.12 -2.85 -1.26 -4.99 119.74 127.85 1xhx s LYS 547 Ca 0.91 -0.12 -0.33 0.00 -1.00 0.00 0.00 55.97 55.43 1xhx s LYS 547 Cb -0.25 0.15 -0.13 0.00 -2.06 0.00 0.00 37.83 35.54 1xhx s LYS 547 CO 0.32 -0.15 1.57 0.28 0.10 0.00 0.00 175.35 177.47 1xhx n VAL 548 N -0.10 0.24 0.00 1.79 0.31 -1.26 -1.40 118.33 117.90 1xhx n VAL 548 Ca -0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1xhx n VAL 548 Cb 0.58 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1xhx n VAL 548 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xhx n GLY 549 N 3.19 2.60 3.65 2.92 0.00 -0.58 -5.03 105.19 111.93 1xhx n GLY 549 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 1xhx n GLY 549 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xhx n PHE 550 N -0.77 1.96 -4.03 1.61 7.35 -0.50 -4.72 117.46 118.37 1xhx n PHE 550 Ca 0.00 0.41 -0.08 0.00 -0.76 0.00 0.00 57.45 57.02 1xhx n PHE 550 Cb 0.00 -2.47 -0.11 0.00 0.35 0.00 0.00 39.48 37.26 1xhx n PHE 550 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1xhx s SER 551 N 1.44 0.35 -0.30 -2.13 0.15 -1.26 -0.90 113.70 111.06 1xhx s SER 551 Ca 0.85 -0.73 -0.14 0.00 0.70 0.00 0.00 55.95 56.63 1xhx s SER 551 Cb -0.83 0.15 0.15 0.00 -1.71 0.00 0.00 66.02 63.78 1xhx s SER 551 CO 0.46 -0.44 0.89 -0.60 1.20 0.00 0.00 173.24 174.75 1xhx s ARG 552 N -2.62 0.39 -1.06 5.44 6.06 -0.62 -5.00 118.95 121.55 1xhx s ARG 552 Ca -0.05 0.93 -0.22 0.00 -2.50 0.00 0.00 55.73 53.89 1xhx s ARG 552 Cb -0.02 0.50 0.05 0.00 0.06 0.00 0.00 34.95 35.55 1xhx s ARG 552 CO -0.05 -0.13 1.52 0.21 -2.50 0.00 0.00 175.30 174.35 1xhx s LYS 553 N 2.41 3.59 0.00 5.12 2.20 -1.26 -1.52 119.74 130.28 1xhx s LYS 553 Ca -0.04 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 1xhx s LYS 553 Cb -0.07 -5.37 0.00 0.00 -1.51 0.00 0.00 37.83 30.88 1xhx s LYS 553 CO -0.18 -2.28 0.00 -1.33 -0.36 0.00 0.00 175.35 171.20 1xhx n MET 554 N 8.81 0.00 -1.49 4.03 2.81 0.31 -4.80 117.12 126.80 1xhx n MET 554 Ca 0.36 0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.77 1xhx n MET 554 Cb 0.50 -0.32 -0.06 0.00 -0.71 0.00 0.00 33.22 32.63 1xhx n MET 554 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1xhx n LYS 555 N -1.13 1.18 -1.97 0.03 4.81 -1.23 -4.52 118.16 115.32 1xhx n LYS 555 Ca 0.00 0.29 -0.42 0.00 -0.87 0.00 0.00 58.31 57.31 1xhx n LYS 555 Cb 0.00 -2.66 -0.03 0.00 0.02 0.00 0.00 35.03 32.37 1xhx n LYS 555 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1xhx s PRO 556 N 6.61 4.20 0.02 1.64 0.02 -1.26 -1.99 135.00 144.24 1xhx s PRO 556 Ca 1.08 2.26 0.06 0.00 0.02 0.00 0.00 61.00 64.42 1xhx s PRO 556 Cb -0.71 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 29.99 1xhx s PRO 556 CO 0.44 -0.78 -0.17 0.21 -0.33 0.00 0.00 177.00 176.38 1xhx s LYS 557 N 3.28 2.19 0.07 5.54 2.20 -0.19 -4.89 119.74 127.93 1xhx s LYS 557 Ca 0.74 -0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1xhx s LYS 557 Cb -0.37 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.66 1xhx s LYS 557 CO 0.31 0.56 1.14 -2.14 -0.36 0.00 0.00 175.35 174.86 1xhx s PRO 558 N -1.28 4.49 -0.06 4.03 0.02 -1.26 -1.54 135.00 139.39 1xhx s PRO 558 Ca 0.14 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.88 1xhx s PRO 558 Cb -0.11 -3.36 0.01 0.00 0.02 0.00 0.00 34.50 31.06 1xhx s PRO 558 CO 0.04 -0.15 -0.16 0.08 -0.33 0.00 0.00 177.00 176.48 1xhx s VAL 559 N 0.81 1.39 -0.04 3.83 1.01 -0.23 -4.97 120.40 122.20 1xhx s VAL 559 Ca 0.56 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1xhx s VAL 559 Cb -0.28 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1xhx s VAL 559 CO 0.30 0.41 1.38 -1.10 0.00 0.00 0.00 175.10 176.09 1xhx s GLN 560 N 0.40 4.27 0.14 2.72 -1.52 -1.26 -2.46 119.66 121.95 1xhx s GLN 560 Ca -0.12 1.91 0.07 0.00 -1.95 0.00 0.00 55.36 55.26 1xhx s GLN 560 Cb -0.15 -3.64 -0.04 0.00 -0.22 0.00 0.00 33.01 28.96 1xhx s GLN 560 CO 0.04 -0.61 -0.15 0.08 -0.25 0.00 0.00 175.29 174.41 1xhx s VAL 561 N 2.70 1.49 -0.22 1.09 1.01 -0.46 -4.82 120.40 121.19 1xhx s VAL 561 Ca 0.62 -1.84 -0.34 0.00 0.00 0.00 0.00 61.98 60.42 1xhx s VAL 561 Cb -0.29 -1.69 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 1xhx s VAL 561 CO 0.24 -0.43 2.04 -2.65 0.00 0.00 0.00 175.10 174.30 1xhx n PRO 562 N 0.33 1.67 0.00 2.72 -0.02 -1.26 -1.76 135.00 136.68 1xhx n PRO 562 Ca -0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1xhx n PRO 562 Cb 0.58 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1xhx n PRO 562 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhx n GLY 563 N 5.37 3.22 0.00 -1.23 0.00 -1.23 -4.52 105.19 106.81 1xhx n GLY 563 Ca 0.31 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xhx n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhx n GLY 564 N 0.00 3.10 2.91 -0.02 0.00 -0.72 -4.12 105.19 106.34 1xhx n GLY 564 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1xhx n GLY 564 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhx s VAL 565 N 0.66 0.27 0.19 1.61 1.01 -1.26 -1.36 120.40 121.51 1xhx s VAL 565 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1xhx s VAL 565 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1xhx s VAL 565 CO 0.00 0.09 -0.13 -0.69 0.00 0.00 0.00 175.10 174.37 1xhx s VAL 566 N 0.07 1.58 -0.22 2.92 1.01 -1.03 -4.94 120.40 119.79 1xhx s VAL 566 Ca -0.00 -2.17 -0.11 0.00 0.00 0.00 0.00 61.98 59.70 1xhx s VAL 566 Cb -0.03 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1xhx s VAL 566 CO -0.00 -0.64 0.16 -0.76 0.00 0.00 0.00 175.10 173.86 1xhx s LEU 567 N -3.28 4.15 -0.02 3.92 1.43 -1.26 -1.07 118.68 122.55 1xhx s LEU 567 Ca 0.21 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 1xhx s LEU 567 Cb 0.00 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1xhx s LEU 567 CO 0.05 0.10 -0.20 -0.69 0.23 0.00 0.00 176.35 175.83 1xhx s VAL 568 N 0.84 1.59 -0.21 -1.59 1.01 -0.59 -4.90 120.40 116.56 1xhx s VAL 568 Ca 0.08 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1xhx s VAL 568 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1xhx s VAL 568 CO 0.03 0.45 1.40 -1.81 0.00 0.00 0.00 175.10 175.17 1xhx s ASP 569 N -0.46 6.70 0.03 3.32 1.01 -1.26 -1.02 116.67 124.98 1xhx s ASP 569 Ca 0.07 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.91 1xhx s ASP 569 Cb -0.08 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1xhx s ASP 569 CO -0.01 -1.00 0.02 0.47 0.21 0.00 0.00 175.17 174.87 1xhx n ASP 570 N 7.42 0.74 -4.50 0.27 8.00 -0.84 -4.82 116.55 122.82 1xhx n ASP 570 Ca 0.16 -1.08 -0.35 0.00 0.71 0.00 0.00 54.79 54.23 1xhx n ASP 570 Cb 0.45 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.43 1xhx n ASP 570 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xhx s THR 571 N 0.20 4.21 -0.19 -3.53 2.01 -1.26 -0.53 115.64 116.56 1xhx s THR 571 Ca 0.02 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 1xhx s THR 571 Cb -0.00 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 1xhx s THR 571 CO 0.01 0.43 0.10 0.12 -0.69 0.00 0.00 174.62 174.59 1xhx s PHE 572 N 0.84 3.33 -0.01 4.92 5.36 -0.58 -4.95 117.98 126.90 1xhx s PHE 572 Ca 0.02 0.21 0.03 0.00 -0.96 0.00 0.00 56.93 56.22 1xhx s PHE 572 Cb -0.14 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1xhx s PHE 572 CO 0.02 0.23 -0.08 0.99 -1.46 0.00 0.00 175.22 174.92 1xhx s THR 573 N 0.33 0.66 -0.66 0.12 2.01 -1.26 -1.58 115.64 115.25 1xhx s THR 573 Ca 0.06 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 1xhx s THR 573 Cb -0.12 -0.56 0.04 0.00 0.01 0.00 0.00 72.50 71.88 1xhx s THR 573 CO -0.01 0.19 1.17 -0.63 -0.69 0.00 0.00 174.62 174.65 1xhx s ILE 574 N -0.15 3.97 -1.89 1.82 1.01 -0.07 -5.00 121.20 120.89 1xhx s ILE 574 Ca 0.02 0.43 0.15 0.00 0.00 0.00 0.00 60.65 61.26 1xhx s ILE 574 Cb -0.04 -4.78 0.12 0.00 0.01 0.00 0.00 42.46 37.77 1xhx s ILE 574 CO -0.00 -1.56 0.98 0.29 0.00 0.00 0.00 174.94 174.64