#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhx n ARG 6 N 0.00 2.01 -1.33 0.54 1.74 -1.26 -4.97 116.66 113.40 1xhx n ARG 6 Ca 0.00 0.72 -0.30 0.00 -0.77 0.00 0.00 57.85 57.50 1xhx n ARG 6 Cb 0.00 -2.40 0.13 0.00 -1.02 0.00 0.00 32.46 29.17 1xhx n ARG 6 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xhx s LYS 7 N -0.06 1.40 -0.04 5.56 1.02 -1.26 -4.83 119.74 121.52 1xhx s LYS 7 Ca 0.71 0.70 0.01 0.00 0.02 0.00 0.00 55.97 57.42 1xhx s LYS 7 Cb -0.67 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1xhx s LYS 7 CO 0.47 -2.11 -0.06 -1.64 -0.92 0.00 0.00 175.35 171.08 1xhx s MET 8 N -5.03 0.99 0.05 1.68 -1.94 -1.26 -1.06 119.30 112.73 1xhx s MET 8 Ca 0.63 -0.18 0.06 0.00 -1.71 0.00 0.00 55.69 54.49 1xhx s MET 8 Cb -0.17 -0.93 -0.02 0.00 2.01 0.00 0.00 34.83 35.72 1xhx s MET 8 CO 0.56 -0.04 -0.17 0.71 -0.01 0.00 0.00 175.02 176.07 1xhx s TYR 9 N 0.78 1.50 -0.21 -0.03 1.51 -0.20 -0.49 117.35 120.21 1xhx s TYR 9 Ca -0.12 -0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 55.49 1xhx s TYR 9 Cb -0.14 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1xhx s TYR 9 CO 0.01 0.08 0.07 0.45 -1.11 0.00 0.00 175.55 175.05 1xhx s SER 10 N -1.29 5.47 0.22 2.29 0.15 -0.04 -0.00 113.70 120.51 1xhx s SER 10 Ca 0.04 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.70 1xhx s SER 10 Cb -0.09 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.21 1xhx s SER 10 CO 0.02 0.08 -0.02 0.00 1.20 0.00 0.00 173.24 174.52 1xhx s ALA 12 N -3.38 -1.34 0.05 0.00 0.00 -0.87 -4.25 121.76 111.97 1xhx s ALA 12 Ca 0.27 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.85 1xhx s ALA 12 Cb 0.05 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1xhx s ALA 12 CO 0.08 -0.53 -0.15 -0.06 0.00 0.00 0.00 175.76 175.10 1xhx s PHE 13 N -2.59 1.28 -0.17 0.00 2.99 -1.26 -2.31 117.98 115.92 1xhx s PHE 13 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 56.93 56.50 1xhx s PHE 13 Cb -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 43.02 42.27 1xhx s PHE 13 CO -0.03 0.05 -0.16 -1.21 -0.00 0.00 0.00 175.22 173.87 1xhx s GLU 14 N -1.35 3.14 0.34 0.44 0.41 -0.46 -5.01 118.70 116.22 1xhx s GLU 14 Ca 0.01 -0.77 0.08 0.00 -0.41 0.00 0.00 54.97 53.88 1xhx s GLU 14 Cb -0.09 -2.63 -0.07 0.00 -1.78 0.00 0.00 34.13 29.57 1xhx s GLU 14 CO 0.02 -0.09 -0.06 0.95 -0.49 0.00 0.00 175.26 175.59 1xhx s THR 15 N 1.06 2.01 0.49 3.63 -4.23 -1.26 -0.85 115.64 116.49 1xhx s THR 15 Ca -0.01 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.21 1xhx s THR 15 Cb -0.14 -2.67 -0.07 0.00 1.34 0.00 0.00 72.50 70.95 1xhx s THR 15 CO -0.05 -0.18 0.93 0.42 -0.54 0.00 0.00 174.62 175.20 1xhx s THR 16 N -2.75 4.60 -2.41 3.99 -4.23 -0.53 -4.89 115.64 109.43 1xhx s THR 16 Ca 0.32 1.05 0.23 0.00 -1.18 0.00 0.00 61.69 62.12 1xhx s THR 16 Cb 0.04 -3.72 0.47 0.00 1.34 0.00 0.00 72.50 70.62 1xhx s THR 16 CO 0.16 -0.65 1.43 0.35 -0.54 0.00 0.00 174.62 175.37 1xhx n THR 17 N -1.51 0.59 -2.66 3.99 -2.24 -1.26 -4.58 114.28 106.61 1xhx n THR 17 Ca 0.05 -0.79 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1xhx n THR 17 Cb 0.54 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.41 4.48 0.32 -0.78 -0.14 -1.23 -4.87 119.74 116.12 1xhx s LYS 18 Ca 0.41 1.46 0.02 0.00 -1.36 0.00 0.00 55.97 56.50 1xhx s LYS 18 Cb 0.23 -3.49 0.55 0.00 -1.68 0.00 0.00 37.83 33.45 1xhx s LYS 18 CO 0.32 -0.20 1.89 0.28 -0.76 0.00 0.00 175.35 176.89 1xhx h VAL 19 N 4.91 1.20 0.00 3.17 2.07 -1.99 -3.12 116.25 122.48 1xhx h VAL 19 Ca -0.37 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1xhx h VAL 19 Cb 1.19 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1xhx h VAL 19 CO 0.80 0.25 -0.16 -0.33 0.02 0.00 0.00 177.57 178.16 1xhx h GLU 20 N 0.67 0.00 -4.47 1.57 3.07 -1.94 -3.42 114.58 110.06 1xhx h GLU 20 Ca 0.15 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.28 1xhx h GLU 20 Cb 0.22 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 27.92 1xhx h GLU 20 CO -0.01 0.46 0.30 0.34 -1.40 0.00 0.00 179.01 178.70 1xhx s ASP 21 N -5.93 6.51 -0.20 1.42 -1.08 -1.20 -4.87 116.67 111.31 1xhx s ASP 21 Ca -0.11 -2.05 -0.01 0.00 -0.52 0.00 0.00 52.55 49.87 1xhx s ASP 21 Cb -0.00 -2.29 0.01 0.00 -1.46 0.00 0.00 42.92 39.18 1xhx s ASP 21 CO 0.33 -0.91 -0.14 0.00 0.52 0.00 0.00 175.17 174.97 1xhx s ARG 23 N 1.34 1.25 -0.24 0.00 1.70 -1.26 -4.47 118.95 117.27 1xhx s ARG 23 Ca 0.04 -0.67 -0.26 0.00 -0.47 0.00 0.00 55.73 54.37 1xhx s ARG 23 Cb -0.14 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 34.68 1xhx s ARG 23 CO -0.09 -0.57 0.90 0.08 -1.08 0.00 0.00 175.30 174.53 1xhx s VAL 24 N -3.38 4.79 -1.87 4.99 1.01 -1.26 -1.45 120.40 123.22 1xhx s VAL 24 Ca 0.11 1.71 0.16 0.00 0.00 0.00 0.00 61.98 63.97 1xhx s VAL 24 Cb -0.02 -4.18 0.23 0.00 0.00 0.00 0.00 36.38 32.41 1xhx s VAL 24 CO 0.01 -0.11 1.13 -2.67 0.00 0.00 0.00 175.10 173.47 1xhx n TRP 25 N 6.09 0.20 -3.64 5.22 4.27 -0.03 -4.46 117.44 125.11 1xhx n TRP 25 Ca 0.08 -0.15 -0.10 0.00 -3.89 0.00 0.00 57.50 53.44 1xhx n TRP 25 Cb 0.47 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.35 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 -1.27 -1.93 0.13 -1.67 0.00 -1.12 -4.57 121.76 111.33 1xhx s ALA 26 Ca 0.24 1.95 0.02 0.00 0.00 0.00 0.00 51.96 54.17 1xhx s ALA 26 Cb 0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1xhx s ALA 26 CO 0.22 -0.27 -0.05 1.52 0.00 0.00 0.00 175.76 177.18 1xhx s TYR 27 N 0.37 1.04 -0.14 0.00 -0.85 -0.08 -1.35 117.35 116.34 1xhx s TYR 27 Ca 0.01 -0.94 -0.29 0.00 -0.52 0.00 0.00 57.07 55.34 1xhx s TYR 27 Cb -0.05 -0.59 0.08 0.00 0.38 0.00 0.00 41.96 41.78 1xhx s TYR 27 CO -0.05 -0.15 0.74 0.20 -1.52 0.00 0.00 175.55 174.76 1xhx s GLY 28 N -3.10 -0.52 0.03 5.49 0.00 -0.98 -1.75 107.32 106.49 1xhx s GLY 28 Ca 0.17 1.67 -0.12 0.00 0.00 0.00 0.00 44.72 46.44 1xhx s GLY 28 CO -0.01 1.26 0.26 -2.52 0.00 0.00 0.00 173.10 172.09 1xhx s TYR 29 N -0.61 -0.06 -0.13 1.90 -0.85 -0.41 -2.06 117.35 115.13 1xhx s TYR 29 Ca -0.06 -0.06 -0.15 0.00 -0.52 0.00 0.00 57.07 56.28 1xhx s TYR 29 Cb -0.02 0.04 0.04 0.00 0.38 0.00 0.00 41.96 42.40 1xhx s TYR 29 CO 0.06 -0.44 0.40 1.41 -1.52 0.00 0.00 175.55 175.46 1xhx s MET 30 N -2.23 0.53 -0.12 -3.49 1.75 -0.35 -1.55 119.30 113.84 1xhx s MET 30 Ca -0.07 0.45 -0.30 0.00 -1.25 0.00 0.00 55.69 54.52 1xhx s MET 30 Cb -0.02 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.88 1xhx s MET 30 CO -0.02 -0.09 1.25 1.21 -0.65 0.00 0.00 175.02 176.72 1xhx s ASN 31 N -0.06 6.98 0.28 1.11 2.47 -0.61 -0.86 114.94 124.25 1xhx s ASN 31 Ca -0.02 1.76 0.01 0.00 0.42 0.00 0.00 52.86 55.02 1xhx s ASN 31 Cb -0.03 -2.55 0.53 0.00 -1.45 0.00 0.00 41.25 37.76 1xhx s ASN 31 CO 0.01 -0.69 1.85 0.40 -3.72 0.00 0.00 177.10 174.95 1xhx h ILE 32 N 5.28 0.96 -0.01 -5.21 2.04 -1.12 -1.86 117.51 117.59 1xhx h ILE 32 Ca -0.30 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1xhx h ILE 32 Cb 1.13 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1xhx h ILE 32 CO 0.93 0.19 -0.19 -0.62 0.00 0.00 0.00 178.15 178.46 1xhx n GLU 33 N -4.59 0.90 -3.14 2.37 1.02 -1.26 -4.63 120.64 111.32 1xhx n GLU 33 Ca 0.18 -0.49 -0.07 0.00 -0.02 0.00 0.00 57.16 56.77 1xhx n GLU 33 Cb 0.32 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1xhx n GLU 33 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xhx s ASP 34 N -2.43 -0.66 0.00 1.62 2.15 -0.71 -5.01 116.67 111.64 1xhx s ASP 34 Ca 0.27 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.84 1xhx s ASP 34 Cb 0.20 1.44 0.00 0.00 -0.30 0.00 0.00 42.92 44.25 1xhx s ASP 34 CO 0.49 -0.16 0.68 1.41 -0.17 0.00 0.00 175.17 177.42 1xhx n HIS 35 N 3.84 0.00 0.09 -5.34 8.25 -1.18 -1.25 115.22 119.63 1xhx n HIS 35 Ca 0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.47 1xhx n HIS 35 Cb 0.53 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 31.34 1xhx n HIS 35 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1xhx h SER 36 N 0.00 0.41 -2.11 0.41 4.64 -1.95 -3.40 113.55 111.54 1xhx h SER 36 Ca 0.00 -0.39 -0.61 0.00 -0.47 0.00 0.00 61.79 60.32 1xhx h SER 36 Cb 0.04 -0.13 -0.12 0.00 -0.31 0.00 0.00 62.40 61.88 1xhx h SER 36 CO 0.00 1.26 1.00 -0.70 -0.87 0.00 0.00 176.83 177.52 1xhx s GLU 37 N -2.88 3.35 0.23 4.77 2.12 -0.38 -4.96 118.70 120.96 1xhx s GLU 37 Ca -0.04 -0.92 -0.07 0.00 0.36 0.00 0.00 54.97 54.30 1xhx s GLU 37 Cb 0.08 -4.65 -0.02 0.00 0.26 0.00 0.00 34.13 29.80 1xhx s GLU 37 CO 0.87 -2.01 0.32 1.52 -0.54 0.00 0.00 175.26 175.42 1xhx s TYR 38 N 4.52 0.76 -0.28 5.30 -0.85 -1.26 -1.58 117.35 123.97 1xhx s TYR 38 Ca 0.34 -1.05 -0.23 0.00 -0.52 0.00 0.00 57.07 55.61 1xhx s TYR 38 Cb -0.08 -0.17 0.09 0.00 0.38 0.00 0.00 41.96 42.18 1xhx s TYR 38 CO 0.02 -0.83 0.83 0.21 -1.52 0.00 0.00 175.55 174.26 1xhx s LYS 39 N -4.05 0.69 -0.06 -3.49 2.47 -0.59 -5.00 119.74 109.71 1xhx s LYS 39 Ca 0.30 0.88 0.02 0.00 -1.56 0.00 0.00 55.97 55.61 1xhx s LYS 39 Cb 0.03 0.30 0.02 0.00 -1.46 0.00 0.00 37.83 36.72 1xhx s LYS 39 CO 0.11 -0.09 -0.10 0.42 0.16 0.00 0.00 175.35 175.85 1xhx s ILE 40 N 0.56 0.93 0.31 5.43 1.01 -1.26 -1.29 121.20 126.89 1xhx s ILE 40 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1xhx s ILE 40 Cb -0.05 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1xhx s ILE 40 CO -0.05 0.31 0.31 0.61 0.00 0.00 0.00 174.94 176.12 1xhx n GLY 41 N 3.85 2.80 0.29 6.18 0.00 -0.72 -4.98 105.19 112.61 1xhx n GLY 41 Ca -0.24 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.75 2.75 -3.91 1.61 6.94 -1.26 -0.90 115.26 118.74 1xhx n ASN 42 Ca 0.06 -3.05 -0.22 0.00 -0.02 0.00 0.00 54.58 51.35 1xhx n ASN 42 Cb 0.56 -0.45 -0.17 0.00 -2.36 0.00 0.00 39.78 37.36 1xhx n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1xhx s SER 43 N -2.59 1.36 0.32 0.53 0.15 -1.26 -4.54 113.70 107.66 1xhx s SER 43 Ca 0.34 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.87 1xhx s SER 43 Cb 0.29 -0.58 0.55 0.00 -1.71 0.00 0.00 66.02 64.56 1xhx s SER 43 CO 0.05 -0.06 1.77 0.25 1.20 0.00 0.00 173.24 176.45 1xhx h LEU 44 N 7.37 0.30 -0.41 3.45 5.85 -1.95 -2.41 115.31 127.52 1xhx h LEU 44 Ca -0.33 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 1xhx h LEU 44 Cb 1.16 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1xhx h LEU 44 CO 0.44 0.58 -0.07 0.44 -0.34 0.00 0.00 178.44 179.49 1xhx h ASP 45 N 0.27 0.77 -0.88 1.25 5.19 -1.96 0.25 116.42 121.32 1xhx h ASP 45 Ca 0.04 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1xhx h ASP 45 Cb 0.64 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 1xhx h ASP 45 CO 0.05 0.94 0.57 -0.08 -3.12 0.00 0.00 179.24 177.59 1xhx h GLU 46 N 0.59 1.17 -0.05 3.56 4.81 -1.93 -0.68 114.58 122.06 1xhx h GLU 46 Ca 0.11 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1xhx h GLU 46 Cb 0.59 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1xhx h GLU 46 CO 0.04 0.79 -0.08 0.35 -0.73 0.00 0.00 179.01 179.37 1xhx h PHE 47 N 1.20 0.17 -0.23 0.92 3.57 -1.08 -2.93 116.94 118.56 1xhx h PHE 47 Ca 0.32 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1xhx h PHE 47 Cb -0.11 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1xhx h PHE 47 CO 0.00 0.66 0.16 0.52 -2.23 0.00 0.00 178.31 177.41 1xhx h MET 48 N -0.36 0.23 -0.51 1.11 2.86 -0.31 -0.34 114.93 117.62 1xhx h MET 48 Ca 0.00 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1xhx h MET 48 Cb 0.64 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1xhx h MET 48 CO 0.02 0.15 -0.01 0.00 1.06 0.00 0.00 176.91 178.13 1xhx h ALA 49 N 1.86 0.69 -0.40 6.32 0.00 -1.10 -2.68 119.26 123.95 1xhx h ALA 49 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1xhx h ALA 49 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xhx h ALA 49 CO -0.02 0.51 0.17 2.35 0.00 0.00 0.00 179.25 182.26 1xhx h TRP 50 N 0.77 0.60 -0.68 0.00 7.01 -0.99 -3.01 115.95 119.64 1xhx h TRP 50 Ca 0.14 -0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.24 1xhx h TRP 50 Cb 0.54 -0.18 -0.09 0.00 -2.10 0.00 0.00 29.16 27.32 1xhx h TRP 50 CO 0.04 0.52 0.19 0.28 -2.79 0.00 0.00 178.44 176.68 1xhx h VAL 51 N 0.50 0.61 0.00 2.65 2.07 -0.88 -0.62 116.25 120.59 1xhx h VAL 51 Ca 0.13 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1xhx h VAL 51 Cb 0.17 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1xhx h VAL 51 CO -0.01 0.06 -0.22 -0.07 0.02 0.00 0.00 177.57 177.35 1xhx h LEU 52 N 0.32 0.00 0.08 2.57 3.38 -1.35 -3.31 115.31 117.00 1xhx h LEU 52 Ca 0.37 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.97 1xhx h LEU 52 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xhx h LEU 52 CO -0.43 0.22 -2.11 0.29 0.09 0.00 0.00 178.44 176.49 1xhx n LYS 53 N -3.60 0.72 -0.30 1.13 5.02 -0.45 -4.57 118.16 116.11 1xhx n LYS 53 Ca -0.01 0.23 0.04 0.00 -2.02 0.00 0.00 58.31 56.55 1xhx n LYS 53 Cb 0.35 -1.66 0.19 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.05 0.87 -5.53 -0.18 -1.51 -1.25 -3.47 116.25 105.23 1xhx h VAL 54 Ca -0.46 -0.27 -0.15 0.00 -1.23 0.00 0.00 66.70 64.59 1xhx h VAL 54 Cb 2.00 0.02 0.09 0.00 -2.13 0.00 0.00 31.29 31.27 1xhx h VAL 54 CO 0.04 0.14 -0.46 0.00 -1.23 0.00 0.00 177.57 176.06 1xhx n GLN 55 N -4.75 -1.69 -3.13 5.19 6.02 -1.26 -4.96 117.38 112.80 1xhx n GLN 55 Ca 0.15 1.14 -0.10 0.00 -0.01 0.00 0.00 57.00 58.18 1xhx n GLN 55 Cb 0.32 -5.52 -0.02 0.00 1.02 0.00 0.00 30.24 26.04 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 -2.58 -0.15 -2.83 -1.58 0.00 -1.26 -4.47 120.51 107.64 1xhx n ALA 56 Ca -0.05 -1.05 -0.37 0.00 0.00 0.00 0.00 53.44 51.98 1xhx n ALA 56 Cb 0.56 0.84 -0.11 0.00 0.00 0.00 0.00 19.45 20.74 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 -2.38 5.58 0.02 0.00 1.01 -0.22 -2.22 116.67 118.45 1xhx s ASP 57 Ca 0.19 -0.07 -0.01 0.00 0.71 0.00 0.00 52.55 53.37 1xhx s ASP 57 Cb -0.00 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 1xhx s ASP 57 CO 0.14 0.00 0.13 -0.76 0.21 0.00 0.00 175.17 174.89 1xhx s LEU 58 N 1.41 4.11 -0.09 1.23 1.43 0.29 -1.03 118.68 126.02 1xhx s LEU 58 Ca 0.06 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1xhx s LEU 58 Cb -0.15 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.57 1xhx s LEU 58 CO 0.06 0.24 -0.13 -0.31 0.23 0.00 0.00 176.35 176.44 1xhx s TYR 59 N -1.31 1.65 0.02 0.29 1.51 1.00 0.68 117.35 121.19 1xhx s TYR 59 Ca 0.27 -0.70 0.08 0.00 -1.01 0.00 0.00 57.07 55.70 1xhx s TYR 59 Cb -0.12 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1xhx s TYR 59 CO 0.19 -0.38 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.97 1xhx s PHE 60 N 0.92 2.47 -0.89 2.71 0.40 -0.99 0.21 117.98 122.82 1xhx s PHE 60 Ca -0.09 -0.32 0.24 0.00 -0.60 0.00 0.00 56.93 56.16 1xhx s PHE 60 Cb -0.15 -1.46 0.95 0.00 0.51 0.00 0.00 43.02 42.87 1xhx s PHE 60 CO 0.00 0.17 1.74 1.58 0.70 0.00 0.00 175.22 179.41 1xhx n HIS 61 N 1.81 0.26 -2.91 0.36 -0.00 -1.26 -0.74 115.22 112.75 1xhx n HIS 61 Ca -0.16 0.09 -0.13 0.00 0.46 0.00 0.00 57.72 57.97 1xhx n HIS 61 Cb 0.52 -0.64 0.02 0.00 -0.12 0.00 0.00 29.99 29.77 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 -1.72 -1.56 -0.33 0.26 5.15 -1.26 -3.59 115.26 112.21 1xhx n ASN 62 Ca 0.05 -3.21 0.11 0.00 -0.60 0.00 0.00 54.58 50.93 1xhx n ASN 62 Cb 0.29 0.95 0.24 0.00 -0.53 0.00 0.00 39.78 40.72 1xhx n ASN 62 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1xhx h LEU 63 N 3.65 -0.56 -1.56 1.20 5.85 -1.87 0.78 115.31 122.80 1xhx h LEU 63 Ca -0.05 0.27 0.43 0.00 0.84 0.00 0.00 57.88 59.37 1xhx h LEU 63 Cb 1.00 0.50 -0.11 0.00 0.37 0.00 0.00 40.66 42.42 1xhx h LEU 63 CO 0.34 -0.32 0.93 0.50 -0.34 0.00 0.00 178.44 179.55 1xhx h LYS 64 N 0.02 0.09 0.00 1.25 3.64 -1.94 1.57 116.57 121.20 1xhx h LYS 64 Ca 0.54 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1xhx h LYS 64 Cb 1.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1xhx h LYS 64 CO -0.91 0.06 -0.34 0.35 -2.27 0.00 0.00 179.45 176.34 1xhx h PHE 65 N 0.09 0.00 0.00 1.91 3.57 -1.28 -3.33 116.94 117.90 1xhx h PHE 65 Ca 0.80 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 62.24 1xhx h PHE 65 Cb 2.65 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 41.38 1xhx h PHE 65 CO -0.00 0.40 -0.24 0.00 -2.23 0.00 0.00 178.31 176.24 1xhx h ALA 66 N -0.74 1.43 0.00 2.41 0.00 -1.24 -2.64 119.26 118.49 1xhx h ALA 66 Ca -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1xhx h ALA 66 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xhx h ALA 66 CO -0.03 0.30 -0.20 0.78 0.00 0.00 0.00 179.25 180.10 1xhx h GLY 67 N 0.92 0.00 1.38 0.00 0.00 0.21 -2.55 103.07 103.03 1xhx h GLY 67 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1xhx h GLY 67 CO 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.28 1xhx h ALA 68 N 1.80 0.86 -0.03 3.60 0.00 -1.58 -1.04 119.26 122.88 1xhx h ALA 68 Ca -0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1xhx h ALA 68 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xhx h ALA 68 CO 0.03 0.63 -0.89 0.74 0.00 0.00 0.00 179.25 179.76 1xhx h PHE 69 N 0.60 0.65 -0.12 0.00 -1.00 -1.59 -2.81 116.94 112.67 1xhx h PHE 69 Ca 0.07 -0.33 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 1xhx h PHE 69 Cb 0.80 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.27 1xhx h PHE 69 CO 0.04 1.14 0.01 0.82 -1.61 0.00 0.00 178.31 178.71 1xhx h ILE 70 N 0.27 1.23 -0.24 -0.55 2.04 -1.32 -2.44 117.51 116.50 1xhx h ILE 70 Ca -0.07 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1xhx h ILE 70 Cb 1.51 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1xhx h ILE 70 CO 0.16 0.21 0.15 0.40 0.00 0.00 0.00 178.15 179.07 1xhx h ILE 71 N -0.05 1.07 -0.99 -0.67 1.08 -1.26 -0.08 117.51 116.61 1xhx h ILE 71 Ca 0.03 -0.14 0.22 0.00 -0.39 0.00 0.00 64.86 64.58 1xhx h ILE 71 Cb 0.32 0.74 -0.09 0.00 -3.07 0.00 0.00 36.82 34.71 1xhx h ILE 71 CO 0.00 0.07 0.62 0.78 -0.69 0.00 0.00 178.15 178.94 1xhx h ASN 72 N 0.31 0.59 -0.03 1.72 2.35 -1.44 -0.26 115.58 118.81 1xhx h ASN 72 Ca 0.09 0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1xhx h ASN 72 Cb -0.02 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.34 1xhx h ASN 72 CO -0.02 0.18 -0.52 -0.25 -1.65 0.00 0.00 177.43 175.18 1xhx h TRP 73 N 0.56 0.58 0.18 1.19 7.01 -0.82 -3.25 115.95 121.40 1xhx h TRP 73 Ca 0.56 -0.29 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1xhx h TRP 73 Cb 1.17 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 28.14 1xhx h TRP 73 CO -0.00 1.09 -0.16 -0.07 -2.79 0.00 0.00 178.44 176.51 1xhx h LEU 74 N -0.10 -0.42 -2.21 0.65 3.38 0.14 -2.26 115.31 114.49 1xhx h LEU 74 Ca -0.06 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1xhx h LEU 74 Cb 1.21 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1xhx h LEU 74 CO 0.10 -0.25 0.27 -0.33 0.09 0.00 0.00 178.44 178.32 1xhx h GLU 75 N -0.37 0.00 -0.34 1.13 4.39 -1.21 0.85 114.58 119.03 1xhx h GLU 75 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1xhx h GLU 75 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1xhx h GLU 75 CO -0.03 0.00 0.02 0.54 -1.16 0.00 0.00 179.01 178.38 1xhx n ARG 76 N -3.17 3.07 -2.08 2.33 1.74 -0.88 -4.54 116.66 113.15 1xhx n ARG 76 Ca -0.00 -2.94 0.01 0.00 -0.77 0.00 0.00 57.85 54.15 1xhx n ARG 76 Cb 0.35 -1.92 0.03 0.00 -1.02 0.00 0.00 32.46 29.90 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 -0.44 0.70 -0.16 0.55 3.02 0.27 -5.00 115.26 114.20 1xhx n ASN 77 Ca 0.25 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 1xhx n ASN 77 Cb 0.98 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 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 -0.20 0.90 3.12 7.41 0.00 -1.23 -4.99 105.19 110.20 1xhx n GLY 78 Ca -0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.33 0.67 -0.25 1.61 0.40 -1.09 -4.60 117.98 112.39 1xhx s PHE 79 Ca 0.00 -1.14 -0.26 0.00 -0.60 0.00 0.00 56.93 54.93 1xhx s PHE 79 Cb 0.00 -0.43 0.12 0.00 0.51 0.00 0.00 43.02 43.22 1xhx s PHE 79 CO 0.00 -0.44 0.99 -1.59 0.70 0.00 0.00 175.22 174.88 1xhx s LYS 80 N -3.98 0.56 0.21 0.44 -2.85 -1.26 -4.18 119.74 108.69 1xhx s LYS 80 Ca 0.14 0.52 -0.31 0.00 -1.00 0.00 0.00 55.97 55.32 1xhx s LYS 80 Cb 0.08 0.27 -0.16 0.00 -2.06 0.00 0.00 37.83 35.96 1xhx s LYS 80 CO -0.05 -0.10 1.03 1.87 0.10 0.00 0.00 175.35 178.20 1xhx n TRP 81 N 1.89 1.03 -3.56 1.78 -0.00 -1.26 -3.32 117.44 114.00 1xhx n TRP 81 Ca -0.12 0.74 -0.01 0.00 -0.00 0.00 0.00 57.50 58.11 1xhx n TRP 81 Cb 0.56 -2.22 -0.04 0.00 -0.00 0.00 0.00 31.31 29.61 1xhx n TRP 81 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xhx s SER 82 N -0.31 -1.12 0.00 5.87 0.15 -0.36 -4.85 113.70 113.09 1xhx s SER 82 Ca 0.68 1.40 -0.01 0.00 0.70 0.00 0.00 55.95 58.72 1xhx s SER 82 Cb -0.83 2.21 -0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1xhx s SER 82 CO 0.55 -0.23 1.01 0.00 1.20 0.00 0.00 173.24 175.78 1xhx h ALA 83 N 8.01 -0.39 -2.51 5.45 0.00 -1.94 -3.36 119.26 124.52 1xhx h ALA 83 Ca -0.19 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 1xhx h ALA 83 Cb 1.11 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1xhx h ALA 83 CO 0.13 -0.39 0.29 0.16 0.00 0.00 0.00 179.25 179.44 1xhx s ASP 84 N -2.67 7.30 -0.40 0.00 -4.77 -1.26 -4.80 116.67 110.07 1xhx s ASP 84 Ca -0.00 1.56 -0.39 0.00 -3.30 0.00 0.00 52.55 50.42 1xhx s ASP 84 Cb 0.00 -2.53 -0.15 0.00 -1.09 0.00 0.00 42.92 39.15 1xhx s ASP 84 CO 0.01 -0.18 2.11 0.61 0.70 0.00 0.00 175.17 178.43 1xhx n GLY 85 N 2.80 0.30 2.90 2.12 0.00 -1.26 -4.95 105.19 107.10 1xhx n GLY 85 Ca 0.03 1.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.79 1xhx n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xhx s LEU 86 N 6.38 1.16 0.08 0.99 1.43 -1.26 -5.09 118.68 122.38 1xhx s LEU 86 Ca 1.12 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 1xhx s LEU 86 Cb -1.12 -0.81 -0.11 0.00 0.03 0.00 0.00 46.19 44.18 1xhx s LEU 86 CO 0.57 -0.12 0.44 -2.65 0.23 0.00 0.00 176.35 174.83 1xhx n PRO 87 N 4.91 0.00 -3.35 1.29 -0.02 -1.26 -2.09 135.00 134.48 1xhx n PRO 87 Ca -0.13 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.19 1xhx n PRO 87 Cb 0.50 -0.72 0.08 0.00 -0.02 0.00 0.00 33.50 33.34 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 1.12 -2.93 -3.85 2.55 4.13 -0.48 -4.94 115.26 110.87 1xhx n ASN 88 Ca 0.11 -0.55 -0.09 0.00 1.68 0.00 0.00 54.58 55.73 1xhx n ASN 88 Cb 0.12 -4.70 -0.05 0.00 -1.54 0.00 0.00 39.78 33.61 1xhx n ASN 88 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1xhx s THR 89 N -3.32 0.03 0.02 3.41 -1.32 -0.89 -4.04 115.64 109.53 1xhx s THR 89 Ca 0.12 -1.05 -0.01 0.00 -1.21 0.00 0.00 61.69 59.54 1xhx s THR 89 Cb -0.05 -1.79 -0.02 0.00 -1.51 0.00 0.00 72.50 69.13 1xhx s THR 89 CO 0.66 -0.12 0.00 -0.72 -2.21 0.00 0.00 174.62 172.24 1xhx s TYR 90 N -3.93 0.23 0.23 9.09 -0.85 -1.21 -1.52 117.35 119.38 1xhx s TYR 90 Ca 0.14 -0.47 0.10 0.00 -0.52 0.00 0.00 57.07 56.31 1xhx s TYR 90 Cb -0.00 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 1xhx s TYR 90 CO 0.01 -0.22 -0.08 1.21 -1.52 0.00 0.00 175.55 174.95 1xhx s ASN 91 N -1.50 4.24 0.22 -0.18 2.47 0.23 -1.22 114.94 119.19 1xhx s ASN 91 Ca -0.15 -0.67 -0.02 0.00 0.42 0.00 0.00 52.86 52.43 1xhx s ASN 91 Cb -0.09 -0.69 -0.03 0.00 -1.45 0.00 0.00 41.25 38.99 1xhx s ASN 91 CO -0.01 0.06 0.20 0.42 -3.72 0.00 0.00 177.10 174.05 1xhx s THR 92 N -2.04 0.00 -0.20 -5.21 -4.23 -1.26 -0.03 115.64 102.67 1xhx s THR 92 Ca 0.28 -1.90 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 1xhx s THR 92 Cb -0.07 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.38 1xhx s THR 92 CO 0.17 0.00 0.10 -0.63 -0.54 0.00 0.00 174.62 173.72 1xhx s ILE 93 N -4.07 -0.08 -0.26 2.99 1.01 -0.74 -4.97 121.20 115.09 1xhx s ILE 93 Ca 0.36 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 1xhx s ILE 93 Cb 0.05 -0.68 0.11 0.00 0.01 0.00 0.00 42.46 41.94 1xhx s ILE 93 CO 0.13 -0.40 0.19 -0.63 0.00 0.00 0.00 174.94 174.23 1xhx s ILE 94 N 2.13 -0.21 0.87 2.92 1.01 -1.26 -0.91 121.20 125.74 1xhx s ILE 94 Ca 0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 1xhx s ILE 94 Cb -0.16 -0.89 0.04 0.00 0.01 0.00 0.00 42.46 41.46 1xhx s ILE 94 CO -0.16 -0.52 0.68 -1.54 0.00 0.00 0.00 174.94 173.40 1xhx n SER 95 N 5.28 -0.98 0.33 3.58 3.41 -0.58 0.08 113.62 124.74 1xhx n SER 95 Ca -0.05 0.45 0.21 0.00 -0.26 0.00 0.00 58.87 59.23 1xhx n SER 95 Cb 0.45 -1.30 1.16 0.00 -0.26 0.00 0.00 64.21 64.26 1xhx n SER 95 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xhx h ARG 96 N -1.20 0.00 0.00 4.33 2.43 -1.91 0.90 114.38 118.92 1xhx h ARG 96 Ca -0.44 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1xhx h ARG 96 Cb 1.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1xhx h ARG 96 CO 0.39 0.00 -0.09 0.52 -1.51 0.00 0.00 179.97 179.28 1xhx h MET 97 N 0.00 0.00 0.00 0.20 2.86 -1.96 -3.47 114.93 112.56 1xhx h MET 97 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xhx h MET 97 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1xhx h MET 97 CO -0.00 0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.47 1xhx n GLY 98 N 0.36 1.31 3.56 8.32 0.00 0.31 -5.09 105.19 113.97 1xhx n GLY 98 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.07 3.72 0.04 1.61 -1.52 -1.24 -4.90 119.66 117.29 1xhx s GLN 99 Ca 0.00 -0.36 -0.24 0.00 -1.95 0.00 0.00 55.36 52.81 1xhx s GLN 99 Cb 0.00 -3.75 -0.06 0.00 -0.22 0.00 0.00 33.01 28.99 1xhx s GLN 99 CO 0.00 -0.39 0.73 -1.58 -0.25 0.00 0.00 175.29 173.80 1xhx s TRP 100 N 1.91 3.73 0.00 0.91 0.52 -1.26 -1.53 118.94 123.22 1xhx s TRP 100 Ca 0.10 1.41 0.00 0.00 0.02 0.00 0.00 56.10 57.64 1xhx s TRP 100 Cb -0.16 -2.77 0.00 0.00 -1.15 0.00 0.00 33.47 29.39 1xhx s TRP 100 CO 0.11 0.30 0.00 0.66 0.02 0.00 0.00 176.95 178.04 1xhx n TYR 101 N 2.74 0.00 -3.59 -1.98 4.02 -0.08 -4.78 117.16 113.49 1xhx n TYR 101 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.72 1xhx n TYR 101 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.89 0.77 -0.29 -0.72 0.00 -1.21 -3.97 119.30 111.98 1xhx s MET 102 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 55.69 56.24 1xhx s MET 102 Cb 0.00 0.37 0.09 0.00 0.00 0.00 0.00 34.83 35.29 1xhx s MET 102 CO 0.00 -0.17 0.06 0.42 0.00 0.00 0.00 175.02 175.33 1xhx s ILE 103 N -0.34 1.23 -0.31 10.11 1.01 -0.51 -1.79 121.20 130.61 1xhx s ILE 103 Ca -0.02 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1xhx s ILE 103 Cb -0.03 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1xhx s ILE 103 CO 0.02 -0.53 0.20 -0.62 0.00 0.00 0.00 174.94 174.01 1xhx s ASP 104 N 1.46 5.89 -0.27 3.58 3.68 0.95 -1.48 116.67 130.48 1xhx s ASP 104 Ca 0.06 -0.33 -0.06 0.00 2.13 0.00 0.00 52.55 54.35 1xhx s ASP 104 Cb -0.18 -2.09 -0.00 0.00 -1.45 0.00 0.00 42.92 39.20 1xhx s ASP 104 CO -0.17 -0.17 0.06 -0.63 0.13 0.00 0.00 175.17 174.39 1xhx s ILE 105 N 1.70 3.93 -0.18 4.11 1.01 -0.36 0.74 121.20 132.15 1xhx s ILE 105 Ca 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1xhx s ILE 105 Cb -0.17 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1xhx s ILE 105 CO 0.09 0.18 0.10 0.00 0.00 0.00 0.00 174.94 175.31 1xhx n LEU 107 N 3.37 0.00 0.00 0.00 4.77 -1.16 -1.38 117.00 122.60 1xhx n LEU 107 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1xhx n LEU 107 Cb 0.52 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1xhx n LEU 107 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1xhx n GLY 108 N 1.45 -0.23 3.26 -0.72 0.00 -1.26 -3.88 105.19 103.82 1xhx n GLY 108 Ca -0.08 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.60 1.52 -0.40 1.61 1.51 -1.26 -0.68 117.35 117.05 1xhx s TYR 109 Ca 0.00 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 1xhx s TYR 109 Cb 0.00 -0.79 0.16 0.00 -0.11 0.00 0.00 41.96 41.22 1xhx s TYR 109 CO 0.00 0.19 0.31 0.15 -1.11 0.00 0.00 175.55 175.09 1xhx s LYS 110 N -2.56 0.82 0.00 -0.62 -0.14 -0.66 -4.89 119.74 111.70 1xhx s LYS 110 Ca 0.09 -1.93 0.00 0.00 -1.36 0.00 0.00 55.97 52.77 1xhx s LYS 110 Cb -0.06 -1.39 0.00 0.00 -1.68 0.00 0.00 37.83 34.70 1xhx s LYS 110 CO 0.04 -1.35 0.00 0.41 -0.76 0.00 0.00 175.35 173.69 1xhx n GLY 111 N 3.11 0.55 4.03 -3.33 0.00 -1.26 -3.94 105.19 104.36 1xhx n GLY 111 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.05 0.00 -3.29 1.61 3.00 -1.26 -4.97 118.16 112.20 1xhx n LYS 112 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 1xhx n LYS 112 Cb 0.47 -2.14 -0.06 0.00 0.00 0.00 0.00 35.03 33.30 1xhx n LYS 112 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1xhx s ARG 113 N 0.00 4.19 -0.21 1.64 1.70 -1.25 -5.05 118.95 119.97 1xhx s ARG 113 Ca 0.00 0.70 -0.22 0.00 -0.47 0.00 0.00 55.73 55.73 1xhx s ARG 113 Cb 0.00 -3.26 -0.02 0.00 -0.57 0.00 0.00 34.95 31.11 1xhx s ARG 113 CO 0.00 0.60 0.72 0.15 -1.08 0.00 0.00 175.30 175.68 1xhx s LYS 114 N -0.93 4.21 -1.34 3.89 1.02 -1.26 -1.65 119.74 123.66 1xhx s LYS 114 Ca 0.29 0.76 -0.10 0.00 0.02 0.00 0.00 55.97 56.94 1xhx s LYS 114 Cb -0.19 -3.60 0.12 0.00 -0.52 0.00 0.00 37.83 33.64 1xhx s LYS 114 CO 0.18 -0.35 2.07 -0.89 -0.92 0.00 0.00 175.35 175.44 1xhx n ILE 115 N 4.91 4.27 -3.74 2.17 5.41 0.15 -4.95 119.36 127.57 1xhx n ILE 115 Ca 0.01 -4.01 -0.20 0.00 1.00 0.00 0.00 62.75 59.56 1xhx n ILE 115 Cb 0.49 -2.39 0.01 0.00 -0.71 0.00 0.00 39.64 37.04 1xhx n ILE 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xhx n HIS 116 N 4.04 -0.92 -3.71 1.39 1.44 -1.26 -3.01 115.22 113.19 1xhx n HIS 116 Ca 0.47 -1.82 -0.16 0.00 -2.01 0.00 0.00 57.72 54.20 1xhx n HIS 116 Cb 0.35 -0.36 -0.16 0.00 0.12 0.00 0.00 29.99 29.94 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 -2.13 -0.15 -0.07 0.61 2.01 -0.49 -4.14 115.64 111.29 1xhx s THR 117 Ca 0.27 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.57 1xhx s THR 117 Cb -0.02 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1xhx s THR 117 CO 0.17 0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.43 1xhx s VAL 118 N 1.75 3.42 -0.22 3.82 1.01 -0.94 -1.22 120.40 128.02 1xhx s VAL 118 Ca -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1xhx s VAL 118 Cb -0.12 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1xhx s VAL 118 CO -0.05 0.58 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 1xhx s ILE 119 N -0.61 2.12 0.49 2.22 1.01 -0.55 0.10 121.20 125.99 1xhx s ILE 119 Ca 0.09 -1.31 0.07 0.00 0.00 0.00 0.00 60.65 59.50 1xhx s ILE 119 Cb -0.11 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1xhx s ILE 119 CO 0.02 0.24 0.48 -0.31 0.00 0.00 0.00 174.94 175.36 1xhx s TYR 120 N 1.19 2.11 -0.35 3.97 1.51 0.21 -1.42 117.35 124.58 1xhx s TYR 120 Ca -0.02 -0.65 -0.05 0.00 -1.01 0.00 0.00 57.07 55.34 1xhx s TYR 120 Cb -0.17 -2.11 0.06 0.00 -0.11 0.00 0.00 41.96 39.63 1xhx s TYR 120 CO -0.09 -0.46 0.11 0.34 -1.11 0.00 0.00 175.55 174.34 1xhx s ASP 121 N -4.30 5.24 0.60 2.29 2.15 -1.25 -2.34 116.67 119.05 1xhx s ASP 121 Ca 0.47 -1.33 0.35 0.00 0.43 0.00 0.00 52.55 52.46 1xhx s ASP 121 Cb -0.04 -1.84 1.95 0.00 -0.30 0.00 0.00 42.92 42.69 1xhx s ASP 121 CO 0.28 -0.36 2.25 0.77 -0.17 0.00 0.00 175.17 177.94 1xhx h SER 122 N 8.16 0.00 0.10 -0.34 4.64 -1.20 -1.38 113.55 123.53 1xhx h SER 122 Ca -0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1xhx h SER 122 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1xhx h SER 122 CO 0.61 0.02 -0.04 0.25 -0.87 0.00 0.00 176.83 176.81 1xhx h LEU 123 N 0.00 0.00 -0.65 5.97 5.85 -1.72 0.12 115.31 124.88 1xhx h LEU 123 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xhx h LEU 123 Cb 0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1xhx h LEU 123 CO 0.00 0.04 -0.01 0.11 -0.34 0.00 0.00 178.44 178.24 1xhx h LYS 124 N 0.00 0.00 0.00 1.25 1.79 -1.54 -2.41 116.57 115.66 1xhx h LYS 124 Ca -0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1xhx h LYS 124 Cb 0.09 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1xhx h LYS 124 CO 0.00 0.01 -2.18 1.63 -1.08 0.00 0.00 179.45 177.83 1xhx n LYS 125 N -3.10 0.82 -3.51 3.15 5.02 -0.08 -1.58 118.16 118.88 1xhx n LYS 125 Ca 0.02 -0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 55.97 1xhx n LYS 125 Cb 0.43 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.84 1xhx n LYS 125 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xhx s LEU 126 N -5.08 1.73 -0.10 -0.35 1.43 0.24 -4.57 118.68 111.99 1xhx s LEU 126 Ca -0.09 -2.71 -0.02 0.00 -1.03 0.00 0.00 54.13 50.27 1xhx s LEU 126 Cb 0.08 -0.62 -0.09 0.00 0.03 0.00 0.00 46.19 45.60 1xhx s LEU 126 CO 0.80 -0.23 1.63 -0.81 0.23 0.00 0.00 176.35 177.97 1xhx n PRO 127 N 3.36 0.82 -3.80 1.29 -0.04 -0.91 -4.36 135.00 131.36 1xhx n PRO 127 Ca 0.19 -0.48 -0.09 0.00 -0.04 0.00 0.00 63.50 63.07 1xhx n PRO 127 Cb 0.40 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1xhx n PRO 127 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xhx s PHE 128 N 2.57 0.06 0.63 0.54 0.40 -1.26 -5.11 117.98 115.80 1xhx s PHE 128 Ca 0.24 -0.44 -0.18 0.00 -0.60 0.00 0.00 56.93 55.95 1xhx s PHE 128 Cb 0.11 0.06 -0.02 0.00 0.51 0.00 0.00 43.02 43.68 1xhx s PHE 128 CO -0.00 -0.63 1.21 -2.14 0.70 0.00 0.00 175.22 174.35 1xhx s PRO 129 N -3.86 2.78 0.21 0.24 0.02 -1.26 -4.79 135.00 128.34 1xhx s PRO 129 Ca 0.06 1.80 -0.12 0.00 0.02 0.00 0.00 61.00 62.76 1xhx s PRO 129 Cb 0.03 -1.91 0.26 0.00 0.02 0.00 0.00 34.50 32.91 1xhx s PRO 129 CO -0.10 -1.35 1.67 0.28 -0.33 0.00 0.00 177.00 177.17 1xhx h VAL 130 N 0.59 0.52 -0.86 3.83 2.07 -1.97 -1.48 116.25 118.94 1xhx h VAL 130 Ca -0.50 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.07 1xhx h VAL 130 Cb 1.30 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 1xhx h VAL 130 CO 0.54 0.02 0.52 0.11 0.02 0.00 0.00 177.57 178.78 1xhx h LYS 131 N 0.11 0.88 -0.35 1.57 1.79 -2.00 -1.48 116.57 117.09 1xhx h LYS 131 Ca 0.30 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.55 1xhx h LYS 131 Cb 0.47 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1xhx h LYS 131 CO -0.50 0.58 -0.43 -0.22 -1.08 0.00 0.00 179.45 177.80 1xhx h LYS 132 N 0.91 0.90 -0.65 3.15 3.64 -1.68 -2.65 116.57 120.19 1xhx h LYS 132 Ca 0.40 -0.51 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1xhx h LYS 132 Cb 0.28 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1xhx h LYS 132 CO -0.21 1.15 0.38 0.82 -2.27 0.00 0.00 179.45 179.32 1xhx h ILE 133 N 0.71 1.04 0.23 2.00 2.04 -0.79 -1.35 117.51 121.38 1xhx h ILE 133 Ca 0.04 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xhx h ILE 133 Cb 1.03 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1xhx h ILE 133 CO 0.10 0.13 -0.25 0.00 0.00 0.00 0.00 178.15 178.13 1xhx h ALA 134 N 1.30 -0.51 0.09 1.87 0.00 -1.16 0.14 119.26 120.99 1xhx h ALA 134 Ca 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xhx h ALA 134 Cb 0.09 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xhx h ALA 134 CO -0.13 -0.82 -0.04 0.87 0.00 0.00 0.00 179.25 179.12 1xhx h LYS 135 N -0.53 -0.11 -0.12 0.00 1.57 -1.21 0.20 116.57 116.36 1xhx h LYS 135 Ca 0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1xhx h LYS 135 Cb 0.50 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1xhx h LYS 135 CO -0.07 -0.04 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.05 1xhx h ASP 136 N -0.16 0.22 0.22 0.86 3.32 -1.21 -2.44 116.42 117.23 1xhx h ASP 136 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xhx h ASP 136 Cb 0.12 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1xhx h ASP 136 CO 0.02 0.50 -0.25 0.49 -1.72 0.00 0.00 179.24 178.28 1xhx n PHE 137 N -4.14 0.00 -3.41 4.55 3.01 0.49 -3.61 117.46 114.35 1xhx n PHE 137 Ca -0.01 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.26 1xhx n PHE 137 Cb 0.38 -0.11 0.08 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.60 -6.75 -3.95 -1.08 5.02 0.42 -3.68 118.16 107.55 1xhx n LYS 138 Ca 0.12 0.75 -0.32 0.00 -2.02 0.00 0.00 58.31 56.84 1xhx n LYS 138 Cb 0.35 -5.54 -0.05 0.00 -0.02 0.00 0.00 35.03 29.78 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 -6.40 4.25 0.19 -0.35 1.43 0.33 -5.03 118.68 113.11 1xhx s LEU 139 Ca 0.34 0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 53.39 1xhx s LEU 139 Cb -0.15 -2.66 -0.11 0.00 0.03 0.00 0.00 46.19 43.30 1xhx s LEU 139 CO 0.66 0.23 1.71 -0.89 0.23 0.00 0.00 176.35 178.28 1xhx s THR 140 N -1.37 2.20 -0.02 5.49 2.01 -1.26 -4.55 115.64 118.14 1xhx s THR 140 Ca 0.29 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1xhx s THR 140 Cb -0.13 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.35 1xhx s THR 140 CO 0.21 0.01 0.03 0.54 -0.69 0.00 0.00 174.62 174.71 1xhx s VAL 141 N 1.37 -0.04 0.28 3.82 0.11 -1.26 -4.84 120.40 119.84 1xhx s VAL 141 Ca 0.75 0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 59.71 1xhx s VAL 141 Cb -0.48 -0.09 -0.09 0.00 -1.53 0.00 0.00 36.38 34.19 1xhx s VAL 141 CO 0.32 0.09 1.02 -0.76 -3.33 0.00 0.00 175.10 172.44 1xhx s LEU 142 N 1.01 4.52 0.18 2.54 1.43 -1.26 -5.04 118.68 122.06 1xhx s LEU 142 Ca -0.08 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 1xhx s LEU 142 Cb -0.12 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.30 1xhx s LEU 142 CO -0.03 -0.06 0.62 -0.54 0.23 0.00 0.00 176.35 176.57 1xhx s LYS 143 N -1.53 4.09 0.00 1.70 1.02 -1.26 -4.91 119.74 118.85 1xhx s LYS 143 Ca 0.45 0.64 0.00 0.00 0.02 0.00 0.00 55.97 57.09 1xhx s LYS 143 Cb -0.27 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1xhx s LYS 143 CO 0.34 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.62 1xhx n GLY 144 N 0.76 -2.97 3.54 -3.33 0.00 -1.26 -5.10 105.19 96.84 1xhx n GLY 144 Ca -0.04 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.93 -0.20 0.52 1.61 -1.08 -1.26 -5.15 116.67 110.18 1xhx s ASP 145 Ca 0.00 -0.60 -0.21 0.00 -0.52 0.00 0.00 52.55 51.22 1xhx s ASP 145 Cb 0.00 0.58 -0.06 0.00 -1.46 0.00 0.00 42.92 41.98 1xhx s ASP 145 CO 0.00 -1.08 1.19 -0.63 0.52 0.00 0.00 175.17 175.17 1xhx s ILE 146 N -3.91 2.90 -0.80 4.11 1.01 -1.26 -4.94 121.20 118.31 1xhx s ILE 146 Ca 0.12 0.62 -0.23 0.00 0.00 0.00 0.00 60.65 61.17 1xhx s ILE 146 Cb -0.01 -3.29 0.07 0.00 0.01 0.00 0.00 42.46 39.24 1xhx s ILE 146 CO 0.00 -0.06 1.16 -0.62 0.00 0.00 0.00 174.94 175.42 1xhx s ASP 147 N -1.46 6.33 0.00 3.58 -1.08 -1.26 -4.85 116.67 117.93 1xhx s ASP 147 Ca 0.70 -1.18 0.20 0.00 -0.52 0.00 0.00 52.55 51.74 1xhx s ASP 147 Cb -0.29 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.61 1xhx s ASP 147 CO 0.34 -1.47 1.62 -1.22 0.52 0.00 0.00 175.17 174.96 1xhx n TYR 148 N 8.07 0.00 0.10 -5.34 4.02 -1.26 -2.92 117.16 119.83 1xhx n TYR 148 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.92 1xhx n TYR 148 Cb 0.48 -0.39 0.09 0.00 -0.02 0.00 0.00 39.34 39.50 1xhx n TYR 148 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1xhx n HIS 149 N -1.39 1.20 -4.40 -0.72 8.25 -1.26 -4.84 115.22 112.06 1xhx n HIS 149 Ca 0.07 -0.92 -0.35 0.00 -0.26 0.00 0.00 57.72 56.26 1xhx n HIS 149 Cb 0.19 -0.49 -0.10 0.00 1.12 0.00 0.00 29.99 30.71 1xhx n HIS 149 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1xhx s LYS 150 N -1.43 2.99 -0.41 -0.41 2.20 -1.15 -5.07 119.74 116.46 1xhx s LYS 150 Ca 0.23 -0.43 -0.27 0.00 -0.36 0.00 0.00 55.97 55.14 1xhx s LYS 150 Cb 0.19 -2.78 0.02 0.00 -1.51 0.00 0.00 37.83 33.76 1xhx s LYS 150 CO 0.05 0.68 1.02 -2.00 -0.36 0.00 0.00 175.35 174.74 1xhx s GLU 151 N -0.82 3.80 -0.44 4.03 2.56 -1.26 -4.99 118.70 121.59 1xhx s GLU 151 Ca 0.12 0.61 0.03 0.00 0.00 0.00 0.00 54.97 55.74 1xhx s GLU 151 Cb -0.11 -3.84 0.12 0.00 2.00 0.00 0.00 34.13 32.30 1xhx s GLU 151 CO 0.02 -1.11 0.18 1.03 -0.56 0.00 0.00 175.26 174.82 1xhx s ARG 152 N 3.85 1.63 1.22 4.30 0.52 -1.26 -5.11 118.95 124.09 1xhx s ARG 152 Ca 0.42 -2.19 -0.16 0.00 -0.52 0.00 0.00 55.73 53.28 1xhx s ARG 152 Cb -0.10 -3.06 0.29 0.00 0.52 0.00 0.00 34.95 32.61 1xhx s ARG 152 CO 0.23 -1.05 1.02 -2.14 0.02 0.00 0.00 175.30 173.38 1xhx s PRO 153 N 0.31 -1.33 0.48 3.54 0.02 -1.26 -4.83 135.00 131.93 1xhx s PRO 153 Ca 0.15 0.45 -0.24 0.00 0.02 0.00 0.00 61.00 61.38 1xhx s PRO 153 Cb -0.23 -1.54 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 1xhx s PRO 153 CO -0.04 -3.90 1.33 0.08 -0.33 0.00 0.00 177.00 174.14 1xhx s VAL 154 N -2.58 2.37 0.00 3.83 1.01 -1.26 -1.71 120.40 122.06 1xhx s VAL 154 Ca 0.68 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1xhx s VAL 154 Cb -0.19 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1xhx s VAL 154 CO 0.61 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1xhx n GLY 155 N 0.63 2.03 3.53 4.51 0.00 -1.26 -4.97 105.19 109.66 1xhx n GLY 155 Ca 0.07 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 0.80 -3.77 1.61 9.36 -0.69 -4.92 117.16 117.54 1xhx n TYR 156 Ca 0.00 0.80 -0.35 0.00 3.32 0.00 0.00 57.90 61.67 1xhx n TYR 156 Cb 0.00 -2.18 -0.09 0.00 -0.63 0.00 0.00 39.34 36.44 1xhx n TYR 156 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1xhx s LYS 157 N -0.67 4.10 0.11 2.98 1.02 -1.26 -4.87 119.74 121.15 1xhx s LYS 157 Ca 0.71 -0.26 -0.31 0.00 0.02 0.00 0.00 55.97 56.12 1xhx s LYS 157 Cb -0.90 -3.40 -0.11 0.00 -0.52 0.00 0.00 37.83 32.90 1xhx s LYS 157 CO 0.55 0.22 1.84 -0.89 -0.92 0.00 0.00 175.35 176.15 1xhx n ILE 158 N 3.74 0.39 -1.73 2.17 5.41 -1.26 -5.00 119.36 123.08 1xhx n ILE 158 Ca -0.16 -0.07 -0.32 0.00 1.00 0.00 0.00 62.75 63.20 1xhx n ILE 158 Cb 0.52 -2.09 0.04 0.00 -0.71 0.00 0.00 39.64 37.39 1xhx n ILE 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1xhx s THR 159 N 2.85 3.82 0.30 1.39 -4.23 -1.26 -4.84 115.64 113.66 1xhx s THR 159 Ca 0.83 0.71 0.03 0.00 -1.18 0.00 0.00 61.69 62.07 1xhx s THR 159 Cb -0.50 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.31 1xhx s THR 159 CO 0.39 -0.66 1.84 -0.65 -0.54 0.00 0.00 174.62 175.00 1xhx h PRO 160 N -0.26 0.92 -0.34 3.99 0.11 -1.99 -0.41 132.00 134.02 1xhx h PRO 160 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1xhx h PRO 160 Cb 1.22 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xhx h PRO 160 CO 0.56 0.61 0.07 1.49 -0.21 0.00 0.00 178.00 180.52 1xhx h GLU 161 N 0.94 0.55 -0.38 1.05 4.81 -2.00 -1.62 114.58 117.93 1xhx h GLU 161 Ca 0.49 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1xhx h GLU 161 Cb 0.53 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1xhx h GLU 161 CO -0.25 0.61 0.07 0.93 -0.73 0.00 0.00 179.01 179.64 1xhx h GLU 162 N 0.39 0.57 -0.12 1.92 5.08 -1.71 -1.48 114.58 119.22 1xhx h GLU 162 Ca 0.10 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xhx h GLU 162 Cb 0.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xhx h GLU 162 CO 0.00 0.54 0.07 -0.92 -1.00 0.00 0.00 179.01 177.70 1xhx h TYR 163 N 0.56 0.17 -0.71 4.33 3.20 -0.77 -0.19 116.97 123.56 1xhx h TYR 163 Ca 0.13 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1xhx h TYR 163 Cb 0.25 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1xhx h TYR 163 CO 0.01 0.20 0.44 0.00 -1.64 0.00 0.00 178.16 177.17 1xhx h ALA 164 N 0.95 0.90 -0.11 1.82 0.00 -0.82 -0.64 119.26 121.36 1xhx h ALA 164 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xhx h ALA 164 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xhx h ALA 164 CO -0.01 0.36 0.05 1.88 0.00 0.00 0.00 179.25 181.54 1xhx h TYR 165 N 0.96 0.16 -0.67 0.00 0.99 -1.03 0.04 116.97 117.42 1xhx h TYR 165 Ca 0.26 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 1xhx h TYR 165 Cb -0.05 -0.05 -0.03 0.00 1.00 0.00 0.00 36.73 37.60 1xhx h TYR 165 CO -0.02 0.22 0.31 0.82 -0.00 0.00 0.00 178.16 179.49 1xhx h ILE 166 N 0.06 1.23 -0.37 -2.88 2.04 -0.78 -1.19 117.51 115.62 1xhx h ILE 166 Ca 0.04 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.10 1xhx h ILE 166 Cb 0.12 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1xhx h ILE 166 CO -0.00 0.27 -0.29 0.50 0.00 0.00 0.00 178.15 178.62 1xhx h LYS 167 N 0.93 0.78 -0.39 2.37 3.64 -0.98 -2.61 116.57 120.33 1xhx h LYS 167 Ca 0.23 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1xhx h LYS 167 Cb 0.15 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1xhx h LYS 167 CO -0.03 0.98 0.22 -0.97 -2.27 0.00 0.00 179.45 177.38 1xhx h ASN 168 N 0.67 0.48 -0.19 4.20 -0.00 -0.67 -0.74 115.58 119.32 1xhx h ASN 168 Ca 0.08 -0.08 0.04 0.00 -0.00 0.00 0.00 56.30 56.34 1xhx h ASN 168 Cb 0.83 -0.12 -0.04 0.00 -0.00 0.00 0.00 38.32 38.98 1xhx h ASN 168 CO 0.07 0.42 -0.07 0.44 -0.00 0.00 0.00 177.43 178.29 1xhx h ASP 169 N 0.50 -0.25 0.65 1.15 3.32 -1.00 -0.18 116.42 120.61 1xhx h ASP 169 Ca 0.14 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 1xhx h ASP 169 Cb 0.04 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1xhx h ASP 169 CO -0.02 -0.10 -0.55 0.16 -1.72 0.00 0.00 179.24 177.01 1xhx h ILE 170 N -0.04 1.31 -0.19 0.35 3.07 -1.35 -2.93 117.51 117.72 1xhx h ILE 170 Ca 0.10 -1.93 -0.19 0.00 1.55 0.00 0.00 64.86 64.39 1xhx h ILE 170 Cb 0.19 2.06 0.01 0.00 -0.27 0.00 0.00 36.82 38.81 1xhx h ILE 170 CO -0.22 0.54 -0.64 -0.61 -1.05 0.00 0.00 178.15 176.17 1xhx h GLN 171 N 0.00 0.77 -0.29 0.16 4.15 -0.77 -0.42 115.11 118.72 1xhx h GLN 171 Ca -0.01 -0.57 0.05 0.00 0.77 0.00 0.00 58.65 58.89 1xhx h GLN 171 Cb 1.02 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.77 1xhx h GLN 171 CO 0.07 1.19 0.01 0.82 -1.93 0.00 0.00 178.83 178.99 1xhx h ILE 172 N 0.50 0.80 -0.33 2.39 2.04 -0.99 0.59 117.51 122.51 1xhx h ILE 172 Ca -0.03 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1xhx h ILE 172 Cb 1.26 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1xhx h ILE 172 CO 0.14 0.02 -0.22 0.40 0.00 0.00 0.00 178.15 178.49 1xhx h ILE 173 N 0.09 1.27 -0.43 -0.67 1.08 -1.48 -2.48 117.51 114.89 1xhx h ILE 173 Ca 0.14 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.32 1xhx h ILE 173 Cb 0.18 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1xhx h ILE 173 CO -0.23 0.42 0.21 0.00 -0.69 0.00 0.00 178.15 177.86 1xhx h ALA 174 N 1.20 0.55 -0.55 1.87 0.00 -0.20 -1.19 119.26 120.94 1xhx h ALA 174 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xhx h ALA 174 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xhx h ALA 174 CO 0.05 0.11 -0.00 0.93 0.00 0.00 0.00 179.25 180.34 1xhx h GLU 175 N 0.55 0.98 -0.36 0.00 5.08 -0.83 -1.34 114.58 118.66 1xhx h GLU 175 Ca 0.15 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1xhx h GLU 175 Cb 0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xhx h GLU 175 CO -0.02 0.98 0.02 0.00 -1.00 0.00 0.00 179.01 178.99 1xhx h ALA 176 N 0.96 0.48 -0.56 3.43 0.00 -1.32 -2.41 119.26 119.85 1xhx h ALA 176 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1xhx h ALA 176 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xhx h ALA 176 CO 0.03 0.23 0.09 -0.07 0.00 0.00 0.00 179.25 179.53 1xhx h LEU 177 N 0.45 0.89 -0.40 0.00 3.38 -1.16 -2.93 115.31 115.54 1xhx h LEU 177 Ca 0.10 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xhx h LEU 177 Cb 0.43 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1xhx h LEU 177 CO 0.01 0.92 0.14 0.25 0.09 0.00 0.00 178.44 179.85 1xhx h LEU 178 N 0.82 0.15 -2.05 1.67 5.85 -1.12 0.87 115.31 121.50 1xhx h LEU 178 Ca 0.17 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1xhx h LEU 178 Cb 0.41 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1xhx h LEU 178 CO 0.01 0.12 0.11 0.40 -0.34 0.00 0.00 178.44 178.74 1xhx h ILE 179 N 0.30 0.86 0.02 4.05 2.04 -1.30 -0.05 117.51 123.43 1xhx h ILE 179 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 1xhx h ILE 179 Cb 0.16 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xhx h ILE 179 CO -0.19 0.00 -0.01 1.56 0.00 0.00 0.00 178.15 179.51 1xhx h GLN 180 N 0.00 -0.03 -0.05 2.37 4.20 -0.88 -3.29 115.11 117.43 1xhx h GLN 180 Ca 0.07 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1xhx h GLN 180 Cb 0.29 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1xhx h GLN 180 CO -0.00 0.72 0.05 0.74 -0.67 0.00 0.00 178.83 179.66 1xhx h PHE 181 N -0.91 0.00 0.00 2.96 -1.00 -0.56 -1.63 116.94 115.81 1xhx h PHE 181 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xhx h PHE 181 Cb 0.76 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.32 1xhx h PHE 181 CO 0.20 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.53 1xhx n LYS 182 N -4.18 0.50 -1.43 1.51 5.02 -0.06 -2.92 118.16 116.59 1xhx n LYS 182 Ca -0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.26 1xhx n LYS 182 Cb 0.15 -1.14 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1xhx n LYS 182 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xhx n GLN 183 N -0.08 0.16 -0.63 1.97 6.02 -0.62 -4.97 117.38 119.23 1xhx n GLN 183 Ca 0.00 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1xhx n GLN 183 Cb 0.07 0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.46 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 0.14 1.11 2.58 1.08 0.00 -1.15 -4.86 105.19 104.10 1xhx n GLY 184 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 6.34 0.08 0.99 4.77 -1.19 -4.43 117.00 123.56 1xhx n LEU 185 Ca 0.00 -3.52 -0.07 0.00 -0.03 0.00 0.00 56.01 52.39 1xhx n LEU 185 Cb 0.00 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 39.73 1xhx n LEU 185 CO 0.00 1.05 0.20 0.44 -1.33 0.00 0.00 177.39 177.75 1xhx h ASP 186 N 6.02 0.09 -2.22 -1.43 3.32 -1.87 -3.37 116.42 116.98 1xhx h ASP 186 Ca 0.62 -0.09 -0.54 0.00 0.02 0.00 0.00 57.03 57.04 1xhx h ASP 186 Cb 0.31 -0.03 0.24 0.00 0.22 0.00 0.00 39.33 40.06 1xhx h ASP 186 CO 1.67 0.98 -1.66 0.54 -1.72 0.00 0.00 179.24 179.04 1xhx n ARG 187 N -3.50 -0.08 0.13 3.56 3.00 -1.26 -4.93 116.66 113.58 1xhx n ARG 187 Ca -0.02 -0.01 0.02 0.00 -0.01 0.00 0.00 57.85 57.83 1xhx n ARG 187 Cb 0.87 -1.17 0.02 0.00 0.00 0.00 0.00 32.46 32.18 1xhx n ARG 187 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1xhx h MET 188 N -1.12 0.00 -5.30 5.56 4.05 -1.95 -3.47 114.93 112.70 1xhx h MET 188 Ca -0.44 0.00 -0.40 0.00 -0.28 0.00 0.00 59.70 58.58 1xhx h MET 188 Cb 1.30 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.96 1xhx h MET 188 CO 0.25 0.54 -0.70 0.95 0.23 0.00 0.00 176.91 178.18 1xhx s THR 189 N -2.96 1.40 0.08 -0.77 -4.23 -1.26 -4.19 115.64 103.71 1xhx s THR 189 Ca 0.04 -2.12 -0.23 0.00 -1.18 0.00 0.00 61.69 58.20 1xhx s THR 189 Cb 0.08 -2.09 -0.14 0.00 1.34 0.00 0.00 72.50 71.69 1xhx s THR 189 CO 0.75 -0.56 1.66 0.00 -0.54 0.00 0.00 174.62 175.94 1xhx h ALA 190 N 2.58 0.06 -0.96 3.99 0.00 -1.54 -1.98 119.26 121.41 1xhx h ALA 190 Ca -0.38 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.64 1xhx h ALA 190 Cb 1.21 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1xhx h ALA 190 CO 0.64 -0.40 0.57 0.78 0.00 0.00 0.00 179.25 180.84 1xhx h GLY 191 N -0.02 1.65 1.60 0.00 0.00 -1.86 0.10 103.07 104.53 1xhx h GLY 191 Ca 0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1xhx h GLY 191 CO -0.00 -0.00 -0.20 1.76 0.00 0.00 0.00 176.54 178.09 1xhx h SER 192 N 0.78 0.47 -0.31 0.19 0.02 -1.78 -0.30 113.55 112.62 1xhx h SER 192 Ca 0.53 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 1xhx h SER 192 Cb 0.73 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1xhx h SER 192 CO -0.35 0.68 0.01 0.44 -1.14 0.00 0.00 176.83 176.47 1xhx h ASP 193 N 0.43 0.53 -0.33 3.07 3.32 -0.13 -1.03 116.42 122.27 1xhx h ASP 193 Ca 0.07 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1xhx h ASP 193 Cb 0.59 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1xhx h ASP 193 CO 0.04 0.70 0.16 0.28 -1.72 0.00 0.00 179.24 178.69 1xhx h SER 194 N 0.34 0.22 -0.52 6.45 0.02 -0.78 0.11 113.55 119.40 1xhx h SER 194 Ca 0.09 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1xhx h SER 194 Cb 0.42 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1xhx h SER 194 CO 0.01 0.17 0.16 0.25 -1.14 0.00 0.00 176.83 176.28 1xhx h LEU 195 N 0.33 0.80 -0.04 5.07 5.85 -0.96 0.14 115.31 126.50 1xhx h LEU 195 Ca 0.14 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xhx h LEU 195 Cb 0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1xhx h LEU 195 CO -0.11 0.76 0.01 0.50 -0.34 0.00 0.00 178.44 179.27 1xhx h LYS 196 N 0.83 0.07 -0.64 1.25 3.64 -0.52 -0.28 116.57 120.91 1xhx h LYS 196 Ca 0.19 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1xhx h LYS 196 Cb 0.27 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1xhx h LYS 196 CO -0.01 0.29 0.42 0.78 -2.27 0.00 0.00 179.45 178.67 1xhx h GLY 197 N -0.17 0.83 0.98 5.01 0.00 -0.35 -0.40 103.07 108.98 1xhx h GLY 197 Ca 0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1xhx h GLY 197 CO 0.00 0.22 -0.11 -2.75 0.00 0.00 0.00 176.54 173.90 1xhx h PHE 198 N 0.69 0.88 -0.20 5.60 3.57 -0.29 -2.83 116.94 124.35 1xhx h PHE 198 Ca 0.27 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1xhx h PHE 198 Cb 0.20 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xhx h PHE 198 CO -0.00 0.91 0.11 0.87 -2.23 0.00 0.00 178.31 177.97 1xhx h LYS 199 N 0.59 0.27 -0.75 1.11 1.57 -0.03 -2.33 116.57 117.01 1xhx h LYS 199 Ca 0.10 -0.03 0.20 0.00 -1.87 0.00 0.00 60.65 59.05 1xhx h LYS 199 Cb 0.64 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1xhx h LYS 199 CO 0.04 0.26 0.53 -0.44 -0.57 0.00 0.00 179.45 179.27 1xhx h ASP 200 N 0.21 0.10 0.00 0.86 3.32 -1.02 0.24 116.42 120.13 1xhx h ASP 200 Ca 0.07 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1xhx h ASP 200 Cb 0.07 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1xhx h ASP 200 CO -0.01 0.04 -0.22 0.40 -1.72 0.00 0.00 179.24 177.73 1xhx h ILE 201 N 0.10 1.13 -0.00 0.35 2.04 -1.19 -3.37 117.51 116.57 1xhx h ILE 201 Ca 0.37 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1xhx h ILE 201 Cb 1.30 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1xhx h ILE 201 CO -0.04 0.38 -0.21 2.30 0.00 0.00 0.00 178.15 180.58 1xhx n ILE 202 N -4.62 0.00 0.00 -0.67 -5.35 -0.93 -5.03 119.36 102.75 1xhx n ILE 202 Ca -0.11 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1xhx n ILE 202 Cb 0.38 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1xhx n ILE 202 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1xhx n THR 203 N -1.13 -0.48 -0.05 7.28 -1.04 0.82 -4.34 114.28 115.34 1xhx n THR 203 Ca 0.11 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.13 1xhx n THR 203 Cb 0.31 -0.06 0.33 0.00 -1.82 0.00 0.00 70.33 69.09 1xhx n THR 203 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1xhx h THR 204 N 0.00 1.16 -0.29 12.58 2.02 -1.92 -1.40 112.91 125.06 1xhx h THR 204 Ca 0.00 -0.48 -0.16 0.00 0.77 0.00 0.00 66.41 66.54 1xhx h THR 204 Cb 0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1xhx h THR 204 CO 0.00 0.19 -0.45 0.50 0.37 0.00 0.00 175.52 176.13 1xhx h LYS 205 N 0.64 0.74 -0.30 6.66 3.64 -1.93 -1.92 116.57 124.10 1xhx h LYS 205 Ca 0.16 -0.42 -0.15 0.00 -1.27 0.00 0.00 60.65 58.97 1xhx h LYS 205 Cb 0.10 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1xhx h LYS 205 CO -0.02 1.04 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.57 1xhx h LYS 206 N 0.59 0.80 -0.41 1.90 3.64 -1.69 -2.53 116.57 118.88 1xhx h LYS 206 Ca 0.04 -0.47 0.08 0.00 -1.27 0.00 0.00 60.65 59.03 1xhx h LYS 206 Cb 1.01 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 1xhx h LYS 206 CO 0.10 1.10 -0.09 0.35 -2.27 0.00 0.00 179.45 178.63 1xhx h PHE 207 N 0.57 -0.20 0.00 1.91 3.57 -1.16 0.11 116.94 121.74 1xhx h PHE 207 Ca 0.03 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1xhx h PHE 207 Cb 1.01 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1xhx h PHE 207 CO 0.07 -0.17 -0.23 0.87 -2.23 0.00 0.00 178.31 176.63 1xhx h LYS 208 N 0.01 0.00 -0.04 1.11 1.57 -1.27 0.14 116.57 118.09 1xhx h LYS 208 Ca 0.20 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1xhx h LYS 208 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1xhx h LYS 208 CO -0.41 0.23 -0.42 0.87 -0.57 0.00 0.00 179.45 179.14 1xhx h LYS 209 N 0.00 0.36 0.00 3.15 1.57 -0.47 -3.16 116.57 118.02 1xhx h LYS 209 Ca -0.00 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.32 1xhx h LYS 209 Cb 0.48 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1xhx h LYS 209 CO 0.03 0.99 -0.79 -0.39 -0.57 0.00 0.00 179.45 178.73 1xhx h VAL 210 N -0.16 0.82 -2.17 0.50 -1.51 -0.75 -3.38 116.25 109.61 1xhx h VAL 210 Ca -0.04 -2.24 -0.59 0.00 -1.23 0.00 0.00 66.70 62.60 1xhx h VAL 210 Cb 1.11 2.34 -0.42 0.00 -2.13 0.00 0.00 31.29 32.20 1xhx h VAL 210 CO 0.09 0.47 -0.66 0.49 -1.23 0.00 0.00 177.57 176.73 1xhx n PHE 211 N -3.14 3.96 -0.84 5.19 0.99 0.48 -0.49 117.46 123.61 1xhx n PHE 211 Ca -0.01 -3.86 -0.29 0.00 -0.00 0.00 0.00 57.45 53.29 1xhx n PHE 211 Cb 0.78 -0.43 0.22 0.00 -1.00 0.00 0.00 39.48 39.06 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 -3.49 -0.58 0.06 -1.08 0.04 -1.19 -4.74 135.00 124.03 1xhx s PRO 212 Ca 0.49 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 61.87 1xhx s PRO 212 Cb 0.30 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 33.16 1xhx s PRO 212 CO -0.15 -3.42 0.67 0.99 0.04 0.00 0.00 177.00 175.13 1xhx s THR 213 N -2.71 4.72 0.34 1.26 2.01 -1.26 -4.87 115.64 115.13 1xhx s THR 213 Ca 0.67 1.42 0.03 0.00 0.31 0.00 0.00 61.69 64.12 1xhx s THR 213 Cb -0.21 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1xhx s THR 213 CO 0.61 0.46 0.51 -0.76 -0.69 0.00 0.00 174.62 174.75 1xhx s LEU 214 N -0.56 4.01 0.88 4.42 1.43 -1.26 -5.06 118.68 122.55 1xhx s LEU 214 Ca 0.33 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1xhx s LEU 214 Cb -0.20 -3.07 0.12 0.00 0.03 0.00 0.00 46.19 43.07 1xhx s LEU 214 CO 0.21 -0.34 1.10 -0.94 0.23 0.00 0.00 176.35 176.60 1xhx s SER 215 N -4.08 3.64 0.25 2.29 1.04 -1.26 -4.81 113.70 110.77 1xhx s SER 215 Ca 0.41 1.40 -0.04 0.00 0.48 0.00 0.00 55.95 58.20 1xhx s SER 215 Cb -0.09 -2.09 0.40 0.00 0.10 0.00 0.00 66.02 64.34 1xhx s SER 215 CO 0.34 -2.52 1.83 -0.07 0.98 0.00 0.00 173.24 173.79 1xhx h LEU 216 N -1.47 0.76 -0.13 2.42 3.38 -2.00 -2.41 115.31 115.87 1xhx h LEU 216 Ca -0.49 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1xhx h LEU 216 Cb 1.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1xhx h LEU 216 CO 0.56 0.44 0.03 1.23 0.09 0.00 0.00 178.44 180.79 1xhx h GLY 217 N 0.87 0.22 0.56 0.83 0.00 -1.99 -2.14 103.07 101.42 1xhx h GLY 217 Ca 0.41 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.62 1xhx h GLY 217 CO -0.23 0.14 -0.16 1.41 0.00 0.00 0.00 176.54 177.70 1xhx h LEU 218 N -0.01 -0.47 -1.46 3.11 3.38 -1.85 -0.93 115.31 117.08 1xhx h LEU 218 Ca 0.04 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1xhx h LEU 218 Cb 0.28 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1xhx h LEU 218 CO 0.00 -0.21 0.46 0.44 0.09 0.00 0.00 178.44 179.22 1xhx h ASP 219 N -0.24 0.55 0.09 -0.43 3.32 -1.45 0.38 116.42 118.64 1xhx h ASP 219 Ca 0.07 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xhx h ASP 219 Cb 0.33 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1xhx h ASP 219 CO -0.18 0.34 -0.04 0.50 -1.72 0.00 0.00 179.24 178.13 1xhx h LYS 220 N 0.61 -0.11 -0.54 3.56 3.64 -0.54 -1.80 116.57 121.40 1xhx h LYS 220 Ca 0.32 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1xhx h LYS 220 Cb 0.44 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1xhx h LYS 220 CO -0.11 0.08 0.02 0.93 -2.27 0.00 0.00 179.45 178.11 1xhx h GLU 221 N -0.29 0.94 -0.83 1.90 5.08 -0.52 -2.89 114.58 117.97 1xhx h GLU 221 Ca -0.01 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1xhx h GLU 221 Cb 0.25 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1xhx h GLU 221 CO 0.02 0.94 0.54 0.28 -1.00 0.00 0.00 179.01 179.79 1xhx h VAL 222 N 0.82 1.22 0.00 3.13 2.07 -0.92 -1.86 116.25 120.70 1xhx h VAL 222 Ca 0.16 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1xhx h VAL 222 Cb 0.50 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1xhx h VAL 222 CO 0.02 0.21 -0.04 0.03 0.02 0.00 0.00 177.57 177.82 1xhx h ARG 223 N 1.13 0.00 -0.89 1.57 3.08 -1.11 -2.98 114.38 115.17 1xhx h ARG 223 Ca 0.30 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.39 1xhx h ARG 223 Cb -0.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 1xhx h ARG 223 CO -0.06 0.04 0.59 1.88 -1.07 0.00 0.00 179.97 181.34 1xhx h TYR 224 N 0.00 1.08 -3.43 3.04 0.99 -1.24 -3.42 116.97 113.99 1xhx h TYR 224 Ca -0.00 0.03 -0.53 0.00 2.00 0.00 0.00 58.73 60.23 1xhx h TYR 224 Cb 0.35 -0.36 0.06 0.00 1.00 0.00 0.00 36.73 37.79 1xhx h TYR 224 CO 0.00 0.63 0.77 0.00 -0.00 0.00 0.00 178.16 179.55 1xhx s ALA 225 N -5.95 3.63 0.52 3.88 0.00 -1.13 -4.81 121.76 117.91 1xhx s ALA 225 Ca -0.12 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 1xhx s ALA 225 Cb 0.19 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1xhx s ALA 225 CO 0.80 -0.78 1.10 0.98 0.00 0.00 0.00 175.76 177.86 1xhx n TYR 226 N 2.13 1.40 -2.79 0.00 9.36 -1.26 -4.95 117.16 121.05 1xhx n TYR 226 Ca 0.06 0.47 -0.02 0.00 3.32 0.00 0.00 57.90 61.73 1xhx n TYR 226 Cb 0.40 -2.24 0.06 0.00 -0.63 0.00 0.00 39.34 36.93 1xhx n TYR 226 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1xhx n ARG 227 N -0.60 1.57 -1.88 2.98 0.63 -1.26 -4.87 116.66 113.23 1xhx n ARG 227 Ca 0.11 -3.18 0.00 0.00 -0.92 0.00 0.00 57.85 53.86 1xhx n ARG 227 Cb 0.44 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 32.06 1xhx n ARG 227 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xhx n GLY 228 N -0.60 4.00 1.25 5.14 0.00 -1.26 -4.98 105.19 108.74 1xhx n GLY 228 Ca 0.05 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.79 1xhx n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhx n GLY 229 N 5.00 0.66 3.04 -0.02 0.00 -1.26 -4.83 105.19 107.77 1xhx n GLY 229 Ca 0.00 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 1xhx n GLY 229 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xhx s PHE 230 N -0.87 3.02 -0.13 1.61 5.36 -1.26 -4.99 117.98 120.72 1xhx s PHE 230 Ca 0.21 -2.15 -0.00 0.00 -0.96 0.00 0.00 56.93 54.03 1xhx s PHE 230 Cb -0.01 -1.83 0.03 0.00 -0.34 0.00 0.00 43.02 40.87 1xhx s PHE 230 CO 0.14 -0.85 -0.07 0.99 -1.46 0.00 0.00 175.22 173.97 1xhx s THR 231 N 1.19 1.06 -0.12 0.12 2.01 -1.26 0.89 115.64 119.52 1xhx s THR 231 Ca -0.08 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 1xhx s THR 231 Cb -0.20 -1.13 0.03 0.00 0.01 0.00 0.00 72.50 71.22 1xhx s THR 231 CO -0.05 0.29 0.31 0.86 -0.69 0.00 0.00 174.62 175.34 1xhx s TRP 232 N 1.68 -0.35 -0.22 4.92 -0.00 -0.49 -4.69 118.94 119.79 1xhx s TRP 232 Ca 0.04 0.85 -0.01 0.00 -0.00 0.00 0.00 56.10 56.98 1xhx s TRP 232 Cb -0.13 0.12 0.02 0.00 -0.00 0.00 0.00 33.47 33.47 1xhx s TRP 232 CO -0.08 -0.18 -0.11 -1.17 -0.00 0.00 0.00 176.95 175.41 1xhx s LEU 233 N 0.34 2.75 0.09 5.86 2.96 -1.26 -0.85 118.68 128.57 1xhx s LEU 233 Ca -0.01 -0.73 -0.33 0.00 -0.22 0.00 0.00 54.13 52.84 1xhx s LEU 233 Cb -0.03 -1.60 -0.12 0.00 0.50 0.00 0.00 46.19 44.93 1xhx s LEU 233 CO -0.01 -0.06 1.72 -3.20 -1.32 0.00 0.00 176.35 173.48 1xhx n ASN 234 N 4.66 3.47 0.30 3.68 2.85 -0.68 -4.85 115.26 124.68 1xhx n ASN 234 Ca -0.18 1.03 0.17 0.00 -0.11 0.00 0.00 54.58 55.49 1xhx n ASN 234 Cb 0.49 -1.45 0.98 0.00 1.24 0.00 0.00 39.78 41.04 1xhx n ASN 234 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1xhx h ASP 235 N 7.40 0.00 -0.16 1.20 3.32 -1.97 -2.23 116.42 123.99 1xhx h ASP 235 Ca -0.46 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.62 1xhx h ASP 235 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1xhx h ASP 235 CO 0.92 0.00 0.11 -0.09 -1.72 0.00 0.00 179.24 178.46 1xhx h ARG 236 N 0.00 0.08 -0.04 3.56 2.43 -1.95 -2.71 114.38 115.75 1xhx h ARG 236 Ca 0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xhx h ARG 236 Cb 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1xhx h ARG 236 CO -0.00 0.05 0.00 1.19 -1.51 0.00 0.00 179.97 179.70 1xhx n PHE 237 N -4.50 0.03 -1.68 2.20 3.01 -0.85 -4.99 117.46 110.68 1xhx n PHE 237 Ca 0.00 -0.02 -0.46 0.00 1.01 0.00 0.00 57.45 57.98 1xhx n PHE 237 Cb 0.18 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 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 0.75 2.34 -3.24 -1.08 4.81 -1.02 -2.46 118.16 118.26 1xhx n LYS 238 Ca 0.08 0.85 -0.23 0.00 -0.87 0.00 0.00 58.31 58.14 1xhx n LYS 238 Cb 0.34 -2.68 0.03 0.00 0.02 0.00 0.00 35.03 32.74 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 4.97 -5.00 -4.63 1.64 1.02 0.81 -5.00 120.64 114.47 1xhx n GLU 239 Ca 0.19 0.78 -0.23 0.00 -0.02 0.00 0.00 57.16 57.88 1xhx n GLU 239 Cb 0.31 -5.63 -0.16 0.00 -0.02 0.00 0.00 31.44 25.95 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 -5.93 1.29 -0.06 3.49 1.02 -1.03 -5.00 119.74 113.53 1xhx s LYS 240 Ca 0.39 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 1xhx s LYS 240 Cb -0.18 -1.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 1xhx s LYS 240 CO 0.48 0.22 1.00 -2.00 -0.92 0.00 0.00 175.35 174.13 1xhx s GLU 241 N -0.04 4.48 0.37 1.68 2.12 -1.26 -4.07 118.70 121.98 1xhx s GLU 241 Ca -0.00 1.41 0.08 0.00 0.36 0.00 0.00 54.97 56.81 1xhx s GLU 241 Cb -0.08 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.73 1xhx s GLU 241 CO 0.01 -0.20 -0.04 0.96 -0.54 0.00 0.00 175.26 175.45 1xhx s ILE 242 N 1.57 2.01 0.00 -3.70 -4.36 0.10 -4.97 121.20 111.85 1xhx s ILE 242 Ca 0.50 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1xhx s ILE 242 Cb -0.19 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1xhx s ILE 242 CO 0.22 -0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.91 1xhx n GLY 243 N -0.85 0.70 3.74 6.27 0.00 -1.26 -1.80 105.19 112.00 1xhx n GLY 243 Ca -0.05 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 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 2.45 0.16 1.61 2.02 -0.86 -3.56 118.70 120.52 1xhx s GLU 244 Ca 0.00 1.63 -0.23 0.00 0.02 0.00 0.00 54.97 56.39 1xhx s GLU 244 Cb 0.00 -1.88 0.08 0.00 0.10 0.00 0.00 34.13 32.42 1xhx s GLU 244 CO 0.00 -1.57 1.06 0.20 0.02 0.00 0.00 175.26 174.97 1xhx s GLY 245 N -2.18 0.06 0.09 -1.39 0.00 -0.31 -2.18 107.32 101.40 1xhx s GLY 245 Ca 0.72 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 45.16 1xhx s GLY 245 CO 0.43 2.40 0.06 -3.16 0.00 0.00 0.00 173.10 172.83 1xhx s MET 246 N -2.26 0.78 -0.03 2.90 0.23 0.19 -0.32 119.30 120.79 1xhx s MET 246 Ca 0.21 -1.21 0.05 0.00 -1.03 0.00 0.00 55.69 53.72 1xhx s MET 246 Cb -0.02 0.26 -0.01 0.00 -1.53 0.00 0.00 34.83 33.53 1xhx s MET 246 CO 0.04 -0.20 -0.20 0.08 -2.03 0.00 0.00 175.02 172.71 1xhx s VAL 247 N -3.94 1.62 -0.06 5.16 1.01 0.14 -1.20 120.40 123.13 1xhx s VAL 247 Ca 0.11 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1xhx s VAL 247 Cb 0.07 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1xhx s VAL 247 CO -0.07 0.46 -0.23 -0.36 0.00 0.00 0.00 175.10 174.90 1xhx s PHE 248 N -0.21 2.29 -0.03 5.22 0.40 -0.67 -1.05 117.98 123.93 1xhx s PHE 248 Ca 0.01 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 55.68 1xhx s PHE 248 Cb -0.10 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 1xhx s PHE 248 CO 0.01 -0.23 -0.20 -0.51 0.70 0.00 0.00 175.22 174.99 1xhx s ASP 249 N -0.04 2.39 0.29 1.36 1.11 0.29 -1.66 116.67 120.41 1xhx s ASP 249 Ca -0.06 -0.38 -0.29 0.00 0.18 0.00 0.00 52.55 52.00 1xhx s ASP 249 Cb -0.14 -0.45 -0.09 0.00 1.07 0.00 0.00 42.92 43.30 1xhx s ASP 249 CO 0.04 0.22 1.05 -0.69 1.18 0.00 0.00 175.17 176.96 1xhx s VAL 250 N -0.26 3.69 -0.55 -1.27 1.01 0.22 0.25 120.40 123.50 1xhx s VAL 250 Ca 0.02 1.64 -0.28 0.00 0.00 0.00 0.00 61.98 63.36 1xhx s VAL 250 Cb -0.10 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1xhx s VAL 250 CO 0.01 0.34 1.26 0.20 0.00 0.00 0.00 175.10 176.91 1xhx s ASN 251 N -1.07 6.39 -0.60 3.32 0.01 0.01 -4.20 114.94 118.80 1xhx s ASN 251 Ca 0.45 0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 52.75 1xhx s ASN 251 Cb -0.29 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.84 1xhx s ASN 251 CO 0.36 -1.50 0.64 -1.20 -1.51 0.00 0.00 177.10 173.90 1xhx n SER 252 N 8.66 -6.97 0.11 -1.22 7.64 -1.26 -1.43 113.62 119.14 1xhx n SER 252 Ca 0.11 -0.02 -0.14 0.00 1.01 0.00 0.00 58.87 59.83 1xhx n SER 252 Cb 0.49 -4.11 -0.08 0.00 -1.01 0.00 0.00 64.21 59.50 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 1.16 -1.34 -0.15 -3.43 5.85 -1.96 -1.59 115.31 113.86 1xhx h LEU 253 Ca -0.20 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1xhx h LEU 253 Cb 1.14 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 1xhx h LEU 253 CO 0.26 -0.48 -0.03 1.88 -0.34 0.00 0.00 178.44 179.74 1xhx h TYR 254 N -0.66 0.31 -0.48 1.25 -1.99 -1.96 -1.87 116.97 111.59 1xhx h TYR 254 Ca -0.01 -0.06 0.09 0.00 2.00 0.00 0.00 58.73 60.75 1xhx h TYR 254 Cb 0.65 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.28 1xhx h TYR 254 CO -0.42 0.55 0.33 -1.35 -0.00 0.00 0.00 178.16 177.27 1xhx h PRO 255 N -0.01 0.24 -0.35 4.88 0.11 -1.86 0.30 132.00 135.31 1xhx h PRO 255 Ca 0.04 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.04 1xhx h PRO 255 Cb 0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1xhx h PRO 255 CO 0.01 0.16 -0.15 0.00 -0.21 0.00 0.00 178.00 177.81 1xhx h ALA 256 N 1.76 0.49 -0.49 -0.75 0.00 -0.97 0.13 119.26 119.42 1xhx h ALA 256 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1xhx h ALA 256 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xhx h ALA 256 CO -0.04 0.40 0.15 1.96 0.00 0.00 0.00 179.25 181.71 1xhx h GLN 257 N 0.50 0.77 -0.21 0.00 1.08 -0.36 -2.51 115.11 114.38 1xhx h GLN 257 Ca 0.08 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1xhx h GLN 257 Cb 0.68 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1xhx h GLN 257 CO 0.05 0.72 -0.02 0.52 -0.95 0.00 0.00 178.83 179.15 1xhx h MET 258 N 0.67 0.31 -0.20 1.46 2.86 -0.80 -1.41 114.93 117.81 1xhx h MET 258 Ca 0.16 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 1xhx h MET 258 Cb 0.28 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1xhx h MET 258 CO -0.00 0.35 -0.45 -0.92 1.06 0.00 0.00 176.91 176.95 1xhx h TYR 259 N 0.30 0.60 0.00 -0.22 5.03 -0.29 -3.41 116.97 118.98 1xhx h TYR 259 Ca 0.07 -0.18 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1xhx h TYR 259 Cb 0.24 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.40 1xhx h TYR 259 CO 0.00 0.86 -0.36 -1.13 -1.32 0.00 0.00 178.16 176.21 1xhx n SER 260 N -4.00 1.82 -4.77 -2.11 3.41 -1.12 -4.73 113.62 102.12 1xhx n SER 260 Ca -0.02 -0.02 -0.32 0.00 -0.26 0.00 0.00 58.87 58.25 1xhx n SER 260 Cb 0.54 0.40 0.07 0.00 -0.26 0.00 0.00 64.21 64.95 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 -0.76 2.54 -0.18 4.33 1.81 -0.54 -4.86 118.95 121.30 1xhx s ARG 261 Ca 0.00 1.29 -0.29 0.00 -1.72 0.00 0.00 55.73 55.01 1xhx s ARG 261 Cb 0.00 -1.92 -0.02 0.00 -0.45 0.00 0.00 34.95 32.56 1xhx s ARG 261 CO 0.00 -1.44 1.33 -1.17 -0.68 0.00 0.00 175.30 173.34 1xhx s LEU 262 N -5.36 4.13 0.13 2.53 2.96 -1.26 -4.47 118.68 117.35 1xhx s LEU 262 Ca 0.64 1.67 0.11 0.00 -0.22 0.00 0.00 54.13 56.34 1xhx s LEU 262 Cb -0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1xhx s LEU 262 CO 0.48 -0.86 -0.27 -0.76 -1.32 0.00 0.00 176.35 173.63 1xhx s LEU 263 N 3.79 2.32 0.49 -0.68 1.43 -0.13 -4.90 118.68 121.01 1xhx s LEU 263 Ca 0.58 -0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 1xhx s LEU 263 Cb -0.22 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 1xhx s LEU 263 CO 0.18 0.17 1.03 -2.16 0.23 0.00 0.00 176.35 175.80 1xhx s PRO 264 N -2.06 3.82 0.21 1.29 0.04 -1.26 -1.23 135.00 135.80 1xhx s PRO 264 Ca 0.14 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.26 1xhx s PRO 264 Cb -0.10 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1xhx s PRO 264 CO 0.06 -0.41 0.62 1.52 0.04 0.00 0.00 177.00 178.84 1xhx s TYR 265 N -2.08 -0.33 0.00 0.56 -0.85 -0.75 -4.76 117.35 109.15 1xhx s TYR 265 Ca 0.66 0.00 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 1xhx s TYR 265 Cb -0.15 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.76 1xhx s TYR 265 CO 0.21 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 173.65 1xhx n GLY 266 N -0.40 -1.34 3.74 5.49 0.00 0.36 -3.52 105.19 109.52 1xhx n GLY 266 Ca -0.11 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.11 4.54 0.65 1.61 2.12 -1.26 -4.81 118.70 120.44 1xhx s GLU 267 Ca 0.00 1.14 -0.15 0.00 0.36 0.00 0.00 54.97 56.32 1xhx s GLU 267 Cb 0.00 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 31.02 1xhx s GLU 267 CO 0.00 0.26 1.12 -2.14 -0.54 0.00 0.00 175.26 173.96 1xhx s PRO 268 N -0.02 2.80 -0.13 4.30 0.02 -1.26 -4.78 135.00 135.93 1xhx s PRO 268 Ca 0.40 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1xhx s PRO 268 Cb -0.21 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 1xhx s PRO 268 CO 0.24 -1.25 -0.15 0.42 -0.33 0.00 0.00 177.00 175.93 1xhx s ILE 269 N -2.28 2.89 0.31 2.83 1.01 -0.87 -4.96 121.20 120.13 1xhx s ILE 269 Ca 0.68 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 1xhx s ILE 269 Cb -0.21 -2.20 -0.10 0.00 0.01 0.00 0.00 42.46 39.96 1xhx s ILE 269 CO 0.41 0.53 0.95 -0.69 0.00 0.00 0.00 174.94 176.13 1xhx s VAL 270 N 0.37 4.17 0.04 2.92 1.01 -1.26 -2.14 120.40 125.50 1xhx s VAL 270 Ca -0.12 1.86 -0.03 0.00 0.00 0.00 0.00 61.98 63.69 1xhx s VAL 270 Cb -0.16 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1xhx s VAL 270 CO 0.06 0.20 0.04 0.72 0.00 0.00 0.00 175.10 176.12 1xhx s PHE 271 N -1.54 0.30 0.08 5.22 -0.12 -0.90 -4.98 117.98 116.05 1xhx s PHE 271 Ca 0.49 -0.68 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 1xhx s PHE 271 Cb -0.20 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 1xhx s PHE 271 CO 0.25 -0.34 0.03 -1.21 -0.05 0.00 0.00 175.22 173.90 1xhx s GLU 272 N -2.84 2.70 3.18 1.99 0.41 -1.26 -1.73 118.70 121.15 1xhx s GLU 272 Ca -0.03 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 1xhx s GLU 272 Cb 0.00 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.72 1xhx s GLU 272 CO -0.06 0.56 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 1xhx n GLY 273 N 0.61 -0.18 3.75 -1.39 0.00 -0.27 -4.82 105.19 102.88 1xhx n GLY 273 Ca -0.10 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 4.44 0.30 1.61 2.20 -1.26 -3.65 119.74 123.39 1xhx s LYS 274 Ca 0.00 0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 56.27 1xhx s LYS 274 Cb 0.00 -3.37 -0.12 0.00 -1.51 0.00 0.00 37.83 32.83 1xhx s LYS 274 CO 0.00 0.27 1.55 0.98 -0.36 0.00 0.00 175.35 177.80 1xhx n TYR 275 N 2.93 2.80 -5.17 4.03 9.36 -1.26 -5.00 117.16 124.85 1xhx n TYR 275 Ca -0.03 0.31 -0.32 0.00 3.32 0.00 0.00 57.90 61.18 1xhx n TYR 275 Cb 0.51 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 36.49 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 -0.22 2.34 0.07 2.97 1.01 -1.26 -5.07 120.40 120.24 1xhx s VAL 276 Ca 0.62 -0.98 -0.36 0.00 0.00 0.00 0.00 61.98 61.26 1xhx s VAL 276 Cb -0.51 -1.86 -0.19 0.00 0.00 0.00 0.00 36.38 33.83 1xhx s VAL 276 CO 0.51 0.58 0.96 1.87 0.00 0.00 0.00 175.10 179.02 1xhx n TRP 277 N 2.67 0.49 -3.71 5.22 -0.00 -1.26 -4.95 117.44 115.89 1xhx n TRP 277 Ca -0.17 0.97 -0.28 0.00 -0.00 0.00 0.00 57.50 58.03 1xhx n TRP 277 Cb 0.52 -2.09 -0.16 0.00 -0.00 0.00 0.00 31.31 29.57 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 -0.22 3.07 0.34 5.87 -1.08 -1.26 -5.03 116.67 118.37 1xhx s ASP 278 Ca 0.82 -0.95 0.13 0.00 -0.52 0.00 0.00 52.55 52.03 1xhx s ASP 278 Cb -1.13 -0.59 1.01 0.00 -1.46 0.00 0.00 42.92 40.75 1xhx s ASP 278 CO 0.56 -0.33 1.70 -0.33 0.52 0.00 0.00 175.17 177.28 1xhx h GLU 279 N 8.25 0.42 0.00 4.34 4.39 -1.99 -1.59 114.58 128.40 1xhx h GLU 279 Ca -0.16 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1xhx h GLU 279 Cb 1.10 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1xhx h GLU 279 CO 0.36 0.28 -0.96 -0.25 -1.16 0.00 0.00 179.01 177.28 1xhx n ASP 280 N -4.93 0.74 -3.36 1.42 8.00 -1.26 -4.41 116.55 112.74 1xhx n ASP 280 Ca 0.29 0.17 -0.26 0.00 0.71 0.00 0.00 54.79 55.71 1xhx n ASP 280 Cb 0.89 0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 42.41 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 -2.40 1.81 0.41 1.24 4.02 -0.62 -4.21 117.16 117.40 1xhx n TYR 281 Ca 0.01 -3.89 0.10 0.00 -0.01 0.00 0.00 57.90 54.11 1xhx n TYR 281 Cb 0.50 -0.44 0.43 0.00 -0.02 0.00 0.00 39.34 39.82 1xhx n TYR 281 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1xhx n PRO 282 N 1.25 0.13 -4.24 -0.72 -0.04 -1.06 -4.40 135.00 125.92 1xhx n PRO 282 Ca 0.26 0.38 -0.29 0.00 -0.04 0.00 0.00 63.50 63.80 1xhx n PRO 282 Cb 0.46 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1xhx n PRO 282 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xhx s LEU 283 N -4.00 2.97 0.18 1.53 1.43 -1.17 -4.98 118.68 114.66 1xhx s LEU 283 Ca 0.05 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 1xhx s LEU 283 Cb 0.09 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1xhx s LEU 283 CO 0.34 0.17 0.63 -1.38 0.23 0.00 0.00 176.35 176.33 1xhx s HIS 284 N -1.25 -0.47 -0.15 0.29 -3.43 -1.26 -0.51 115.29 108.52 1xhx s HIS 284 Ca 0.21 0.21 0.01 0.00 -0.80 0.00 0.00 55.06 54.69 1xhx s HIS 284 Cb -0.11 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1xhx s HIS 284 CO 0.13 -0.93 -0.19 0.42 -2.00 0.00 0.00 174.74 172.18 1xhx s ILE 285 N -3.78 2.33 -0.13 -5.38 1.01 0.92 -0.19 121.20 115.98 1xhx s ILE 285 Ca 0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1xhx s ILE 285 Cb -0.02 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1xhx s ILE 285 CO -0.09 0.53 -0.11 -1.58 0.00 0.00 0.00 174.94 173.70 1xhx s GLN 286 N 0.84 3.37 -0.45 2.79 2.00 0.22 -0.97 119.66 127.47 1xhx s GLN 286 Ca -0.06 -0.64 -0.22 0.00 -2.00 0.00 0.00 55.36 52.45 1xhx s GLN 286 Cb -0.15 -2.68 0.03 0.00 0.80 0.00 0.00 33.01 31.01 1xhx s GLN 286 CO -0.02 0.26 0.70 -1.58 -0.50 0.00 0.00 175.29 174.16 1xhx s HIS 287 N 0.24 3.02 -0.02 1.67 5.65 0.93 -1.10 115.29 125.69 1xhx s HIS 287 Ca -0.07 -0.03 0.07 0.00 0.25 0.00 0.00 55.06 55.28 1xhx s HIS 287 Cb -0.15 -3.50 -0.02 0.00 -1.18 0.00 0.00 32.58 27.72 1xhx s HIS 287 CO 0.05 -0.95 -0.24 -1.50 -0.65 0.00 0.00 174.74 171.44 1xhx s ILE 288 N 3.02 2.21 -0.19 0.89 2.07 0.11 -1.57 121.20 127.74 1xhx s ILE 288 Ca 0.25 -1.08 -0.03 0.00 -1.41 0.00 0.00 60.65 58.37 1xhx s ILE 288 Cb -0.14 -1.79 -0.02 0.00 0.13 0.00 0.00 42.46 40.65 1xhx s ILE 288 CO 0.20 0.56 -0.05 -0.60 -1.91 0.00 0.00 174.94 173.14 1xhx s ARG 289 N -0.69 3.47 0.16 3.50 3.52 0.92 -0.96 118.95 128.86 1xhx s ARG 289 Ca 0.10 -0.60 -0.23 0.00 -0.13 0.00 0.00 55.73 54.87 1xhx s ARG 289 Cb -0.10 -2.94 0.08 0.00 -1.56 0.00 0.00 34.95 30.43 1xhx s ARG 289 CO -0.00 -0.01 1.07 0.00 -0.81 0.00 0.00 175.30 175.55 1xhx s GLU 291 N -2.15 1.62 0.03 0.00 2.02 -0.65 0.43 118.70 120.00 1xhx s GLU 291 Ca 0.23 -1.23 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 1xhx s GLU 291 Cb -0.02 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.23 1xhx s GLU 291 CO 0.04 0.48 0.25 -0.59 0.02 0.00 0.00 175.26 175.46 1xhx s PHE 292 N -1.03 -0.05 -0.06 1.61 -0.12 -1.26 -0.32 117.98 116.75 1xhx s PHE 292 Ca 0.15 -0.08 -0.00 0.00 -0.05 0.00 0.00 56.93 56.94 1xhx s PHE 292 Cb -0.10 0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1xhx s PHE 292 CO 0.06 -0.44 -0.02 -1.21 -0.05 0.00 0.00 175.22 173.56 1xhx s GLU 293 N -2.27 0.75 0.19 1.99 0.41 0.94 -2.35 118.70 118.36 1xhx s GLU 293 Ca -0.07 -0.01 -0.31 0.00 -0.41 0.00 0.00 54.97 54.17 1xhx s GLU 293 Cb -0.02 -0.93 -0.10 0.00 -1.78 0.00 0.00 34.13 31.31 1xhx s GLU 293 CO -0.02 -0.19 1.48 -1.17 -0.49 0.00 0.00 175.26 174.87 1xhx s LEU 294 N 1.43 4.38 0.70 1.80 2.96 -0.41 0.83 118.68 130.37 1xhx s LEU 294 Ca -0.03 2.59 -0.12 0.00 -0.22 0.00 0.00 54.13 56.35 1xhx s LEU 294 Cb -0.13 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.97 1xhx s LEU 294 CO -0.03 -0.74 1.08 -0.54 -1.32 0.00 0.00 176.35 174.80 1xhx s LYS 295 N 0.46 2.70 0.02 1.98 1.02 -0.01 -4.85 119.74 121.07 1xhx s LYS 295 Ca 0.64 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 57.48 1xhx s LYS 295 Cb -0.42 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1xhx s LYS 295 CO 0.36 -1.30 1.14 -2.00 -0.92 0.00 0.00 175.35 172.63 1xhx s GLU 296 N -4.68 4.45 0.00 1.68 2.56 -1.26 -3.04 118.70 118.41 1xhx s GLU 296 Ca 0.62 1.66 0.00 0.00 0.00 0.00 0.00 54.97 57.24 1xhx s GLU 296 Cb -0.17 -3.41 0.00 0.00 2.00 0.00 0.00 34.13 32.55 1xhx s GLU 296 CO 0.50 -0.23 0.00 0.41 -0.56 0.00 0.00 175.26 175.38 1xhx n GLY 297 N 3.15 0.66 3.20 -1.50 0.00 -1.26 -5.07 105.19 104.36 1xhx n GLY 297 Ca 0.08 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 1.42 0.20 1.61 1.51 -1.17 -5.02 117.35 113.90 1xhx s TYR 298 Ca 0.00 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 1xhx s TYR 298 Cb 0.00 -0.82 -0.08 0.00 -0.11 0.00 0.00 41.96 40.95 1xhx s TYR 298 CO 0.00 0.08 0.92 0.42 -1.11 0.00 0.00 175.55 175.86 1xhx s ILE 299 N -1.02 4.20 0.42 2.71 1.01 -1.26 -4.85 121.20 122.41 1xhx s ILE 299 Ca 0.02 2.03 -0.26 0.00 0.00 0.00 0.00 60.65 62.44 1xhx s ILE 299 Cb -0.09 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 1xhx s ILE 299 CO 0.02 0.47 1.30 -2.84 0.00 0.00 0.00 174.94 173.89 1xhx s PRO 300 N -0.94 3.90 0.00 2.79 0.02 -1.26 -4.92 135.00 134.58 1xhx s PRO 300 Ca 0.41 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1xhx s PRO 300 Cb -0.25 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.57 1xhx s PRO 300 CO 0.31 -0.55 0.00 0.25 -0.33 0.00 0.00 177.00 176.68 1xhx n THR 301 N 0.01 0.00 -2.81 0.99 -2.24 -1.26 -5.03 114.28 103.94 1xhx n THR 301 Ca 0.04 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1xhx n THR 301 Cb 0.44 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.69 4.63 0.02 2.28 -1.09 -1.26 -5.01 121.20 120.08 1xhx s ILE 302 Ca 0.00 1.31 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 1xhx s ILE 302 Cb 0.00 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.57 1xhx s ILE 302 CO 0.00 -0.44 -0.10 0.00 -1.23 0.00 0.00 174.94 173.17 1xhx s GLN 303 N 3.36 0.71 0.36 2.79 -2.07 -1.26 -0.92 119.66 122.63 1xhx s GLN 303 Ca 0.38 -0.53 -0.09 0.00 -1.82 0.00 0.00 55.36 53.30 1xhx s GLN 303 Cb -0.13 -0.66 -0.06 0.00 -1.09 0.00 0.00 33.01 31.08 1xhx s GLN 303 CO 0.16 0.17 0.70 0.96 -1.32 0.00 0.00 175.29 175.96 1xhx s ILE 304 N -0.64 4.85 0.02 3.63 -4.36 -1.25 -4.81 121.20 118.64 1xhx s ILE 304 Ca -0.00 0.46 -0.30 0.00 -0.26 0.00 0.00 60.65 60.56 1xhx s ILE 304 Cb -0.06 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 1xhx s ILE 304 CO 0.00 -0.44 0.96 -0.75 0.24 0.00 0.00 174.94 174.96 1xhx s LYS 305 N -3.70 4.58 0.34 0.37 2.20 -1.26 -4.91 119.74 117.36 1xhx s LYS 305 Ca 0.49 1.40 0.02 0.00 -0.36 0.00 0.00 55.97 57.52 1xhx s LYS 305 Cb -0.10 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1xhx s LYS 305 CO 0.30 0.02 0.19 0.54 -0.36 0.00 0.00 175.35 176.04 1xhx n ARG 306 N 3.63 1.05 -2.68 4.03 1.74 -1.26 -5.12 116.66 118.05 1xhx n ARG 306 Ca 0.05 -2.18 -0.34 0.00 -0.77 0.00 0.00 57.85 54.61 1xhx n ARG 306 Cb 0.51 0.33 -0.05 0.00 -1.02 0.00 0.00 32.46 32.22 1xhx n ARG 306 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xhx s SER 307 N -2.94 6.66 0.34 0.55 0.15 -1.26 -4.90 113.70 112.31 1xhx s SER 307 Ca 0.14 1.82 0.16 0.00 0.70 0.00 0.00 55.95 58.77 1xhx s SER 307 Cb -0.01 -2.55 0.85 0.00 -1.71 0.00 0.00 66.02 62.60 1xhx s SER 307 CO 0.09 -0.55 1.40 0.03 1.20 0.00 0.00 173.24 175.41 1xhx h ARG 308 N 1.79 0.00 0.05 5.44 3.08 -2.05 -1.98 114.38 120.71 1xhx h ARG 308 Ca -0.49 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.18 1xhx h ARG 308 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1xhx h ARG 308 CO 0.60 0.00 -2.26 1.19 -1.07 0.00 0.00 179.97 178.44 1xhx n PHE 309 N -2.14 0.54 -1.78 3.04 3.01 -1.26 -4.95 117.46 113.92 1xhx n PHE 309 Ca -0.01 0.12 -0.41 0.00 1.01 0.00 0.00 57.45 58.16 1xhx n PHE 309 Cb 0.27 -1.07 -0.01 0.00 -0.01 0.00 0.00 39.48 38.66 1xhx n PHE 309 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1xhx s TYR 310 N -2.53 2.69 -0.02 1.38 1.51 -0.75 -5.00 117.35 114.63 1xhx s TYR 310 Ca -0.30 0.91 0.07 0.00 -1.01 0.00 0.00 57.07 56.74 1xhx s TYR 310 Cb 0.08 -4.06 -0.02 0.00 -0.11 0.00 0.00 41.96 37.86 1xhx s TYR 310 CO 0.66 -3.40 -0.23 0.15 -1.11 0.00 0.00 175.55 171.62 1xhx s LYS 311 N -1.04 1.93 0.00 -0.62 1.02 -1.26 -4.78 119.74 114.98 1xhx s LYS 311 Ca 0.60 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.78 1xhx s LYS 311 Cb -0.47 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1xhx s LYS 311 CO 0.53 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.83 1xhx n GLY 312 N 2.63 1.06 3.26 -3.33 0.00 -1.26 -5.03 105.19 102.52 1xhx n GLY 312 Ca -0.16 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.34 1xhx n GLY 312 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xhx s ASN 313 N 0.00 3.21 -0.20 1.61 0.01 -1.26 -5.08 114.94 113.23 1xhx s ASN 313 Ca 0.00 -0.51 -0.02 0.00 -0.71 0.00 0.00 52.86 51.62 1xhx s ASN 313 Cb 0.00 -1.22 -0.00 0.00 0.41 0.00 0.00 41.25 40.43 1xhx s ASN 313 CO 0.00 0.19 -0.09 -0.70 -1.51 0.00 0.00 177.10 174.99 1xhx s GLU 314 N 0.14 3.27 0.13 -0.60 -6.30 -1.26 -5.03 118.70 109.05 1xhx s GLU 314 Ca -0.12 -0.69 0.04 0.00 -2.50 0.00 0.00 54.97 51.70 1xhx s GLU 314 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 34.13 31.08 1xhx s GLU 314 CO 0.07 -0.16 0.14 0.71 0.02 0.00 0.00 175.26 176.04 1xhx s TYR 315 N 1.31 3.22 -0.26 5.30 1.51 -1.26 -3.91 117.35 123.26 1xhx s TYR 315 Ca 0.04 0.04 -0.08 0.00 -1.01 0.00 0.00 57.07 56.06 1xhx s TYR 315 Cb -0.14 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1xhx s TYR 315 CO -0.05 0.52 0.09 -0.51 -1.11 0.00 0.00 175.55 174.49 1xhx s LEU 316 N -2.87 3.57 0.20 -1.29 1.43 -0.09 -4.95 118.68 114.69 1xhx s LEU 316 Ca 0.31 -0.23 0.17 0.00 -1.03 0.00 0.00 54.13 53.36 1xhx s LEU 316 Cb -0.11 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1xhx s LEU 316 CO 0.24 -0.05 1.17 0.11 0.23 0.00 0.00 176.35 178.04 1xhx h LYS 317 N 8.26 0.00 -2.85 1.70 1.57 -1.95 -3.41 116.57 119.89 1xhx h LYS 317 Ca -0.37 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.47 1xhx h LYS 317 Cb 1.17 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 1xhx h LYS 317 CO 0.58 0.30 0.28 -1.54 -0.57 0.00 0.00 179.45 178.50 1xhx s SER 318 N -6.02 -0.35 0.00 0.86 1.04 -1.26 -1.29 113.70 106.68 1xhx s SER 318 Ca 0.01 -0.36 0.14 0.00 0.48 0.00 0.00 55.95 56.22 1xhx s SER 318 Cb 0.08 0.63 0.64 0.00 0.10 0.00 0.00 66.02 67.47 1xhx s SER 318 CO 0.77 -1.12 1.44 -1.54 0.98 0.00 0.00 173.24 173.77 1xhx n SER 319 N -0.42 0.85 -3.34 7.02 3.41 -0.99 -4.93 113.62 115.21 1xhx n SER 319 Ca -0.08 -1.73 -0.18 0.00 -0.26 0.00 0.00 58.87 56.62 1xhx n SER 319 Cb 0.61 -0.08 0.08 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.89 -0.35 2.74 5.00 0.00 -1.26 -2.72 105.19 109.48 1xhx n GLY 320 Ca 0.11 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.29 1.18 3.13 -0.02 0.00 -1.26 -4.96 105.19 101.97 1xhx n GLY 321 Ca -0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1xhx n GLY 321 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xhx s GLU 322 N -3.01 0.71 0.70 1.61 2.12 -1.10 -5.14 118.70 114.59 1xhx s GLU 322 Ca 0.00 -1.03 -0.12 0.00 0.36 0.00 0.00 54.97 54.18 1xhx s GLU 322 Cb 0.00 -0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.04 1xhx s GLU 322 CO 0.00 0.05 1.08 0.96 -0.54 0.00 0.00 175.26 176.81 1xhx s ILE 323 N -2.25 3.63 0.02 -3.70 -4.36 -1.26 -4.69 121.20 108.59 1xhx s ILE 323 Ca 0.00 0.59 0.03 0.00 -0.26 0.00 0.00 60.65 61.01 1xhx s ILE 323 Cb -0.04 -3.18 -0.01 0.00 1.25 0.00 0.00 42.46 40.48 1xhx s ILE 323 CO -0.01 -0.63 -0.09 0.00 0.24 0.00 0.00 174.94 174.45 1xhx s ALA 324 N -2.81 0.74 -0.24 2.27 0.00 0.17 -4.93 121.76 116.95 1xhx s ALA 324 Ca 0.61 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 1xhx s ALA 324 Cb -0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1xhx s ALA 324 CO 0.51 0.12 0.09 -0.51 0.00 0.00 0.00 175.76 175.97 1xhx s ASP 325 N -0.79 5.36 0.04 0.00 1.01 -1.26 -0.93 116.67 120.09 1xhx s ASP 325 Ca -0.01 -0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.17 1xhx s ASP 325 Cb -0.06 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 1xhx s ASP 325 CO 0.00 -0.01 -0.14 -0.76 0.21 0.00 0.00 175.17 174.48 1xhx s LEU 326 N 1.46 2.16 -0.35 1.23 1.43 -0.14 -4.98 118.68 119.49 1xhx s LEU 326 Ca 0.06 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1xhx s LEU 326 Cb -0.15 -0.60 0.06 0.00 0.03 0.00 0.00 46.19 45.53 1xhx s LEU 326 CO 0.05 0.04 0.12 0.26 0.23 0.00 0.00 176.35 177.04 1xhx s TRP 327 N -0.82 3.34 0.02 0.29 0.52 -1.26 -0.71 118.94 120.32 1xhx s TRP 327 Ca 0.02 -1.76 0.08 0.00 0.02 0.00 0.00 56.10 54.46 1xhx s TRP 327 Cb -0.08 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.69 1xhx s TRP 327 CO 0.01 -0.82 -0.25 -0.51 0.02 0.00 0.00 176.95 175.41 1xhx s LEU 328 N 1.31 2.12 0.70 2.99 1.43 -0.26 -4.23 118.68 122.74 1xhx s LEU 328 Ca 0.00 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1xhx s LEU 328 Cb -0.21 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1xhx s LEU 328 CO 0.00 0.26 1.07 -0.94 0.23 0.00 0.00 176.35 176.97 1xhx s SER 329 N -0.96 5.45 0.53 2.29 1.04 -1.26 0.73 113.70 121.51 1xhx s SER 329 Ca 0.10 1.36 0.20 0.00 0.48 0.00 0.00 55.95 58.09 1xhx s SER 329 Cb -0.10 -2.23 1.40 0.00 0.10 0.00 0.00 66.02 65.20 1xhx s SER 329 CO 0.01 -1.37 2.15 -0.55 0.98 0.00 0.00 173.24 174.47 1xhx h ASN 330 N -0.67 0.00 -0.07 7.02 -1.07 -0.97 0.97 115.58 120.78 1xhx h ASN 330 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.91 1xhx h ASN 330 Cb 1.23 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.48 1xhx h ASN 330 CO 0.61 0.03 -0.02 0.58 0.07 0.00 0.00 177.43 178.70 1xhx h VAL 331 N 0.00 1.29 -0.32 6.14 2.07 -1.91 -2.13 116.25 121.39 1xhx h VAL 331 Ca -0.00 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1xhx h VAL 331 Cb 0.07 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1xhx h VAL 331 CO 0.00 0.26 0.16 0.44 0.02 0.00 0.00 177.57 178.45 1xhx h ASP 332 N -0.20 0.41 -0.57 0.57 3.32 -1.62 -2.81 116.42 115.52 1xhx h ASP 332 Ca 0.02 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1xhx h ASP 332 Cb 0.41 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1xhx h ASP 332 CO 0.01 0.42 0.37 0.25 -1.72 0.00 0.00 179.24 178.57 1xhx h LEU 333 N 0.38 0.64 -1.18 1.55 5.85 -0.86 -0.02 115.31 121.67 1xhx h LEU 333 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1xhx h LEU 333 Cb 0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1xhx h LEU 333 CO -0.01 0.46 0.38 -0.33 -0.34 0.00 0.00 178.44 178.60 1xhx h GLU 334 N 0.76 0.94 -0.25 1.25 4.39 -1.32 -0.97 114.58 119.39 1xhx h GLU 334 Ca 0.21 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 1xhx h GLU 334 Cb -0.08 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 1xhx h GLU 334 CO -0.05 0.69 -0.38 1.25 -1.16 0.00 0.00 179.01 179.36 1xhx h LEU 335 N 0.95 0.59 -0.35 1.33 5.85 -1.14 -3.03 115.31 119.52 1xhx h LEU 335 Ca 0.24 -0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1xhx h LEU 335 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1xhx h LEU 335 CO -0.04 0.91 -0.31 -0.03 -0.34 0.00 0.00 178.44 178.63 1xhx h MET 336 N 0.47 0.82 0.00 1.25 4.05 -0.24 -2.19 114.93 119.10 1xhx h MET 336 Ca 0.05 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 1xhx h MET 336 Cb 0.87 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1xhx h MET 336 CO 0.07 1.05 0.00 0.87 0.23 0.00 0.00 176.91 179.14 1xhx h LYS 337 N 0.61 0.00 0.01 0.39 1.57 -1.17 0.37 116.57 118.34 1xhx h LYS 337 Ca 0.06 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.52 1xhx h LYS 337 Cb 0.88 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.14 1xhx h LYS 337 CO 0.08 0.00 -1.96 -1.91 -0.57 0.00 0.00 179.45 175.08 1xhx n GLU 338 N -2.86 0.66 0.03 3.15 2.13 -1.10 -4.40 120.64 118.24 1xhx n GLU 338 Ca -0.01 0.19 0.08 0.00 0.66 0.00 0.00 57.16 58.08 1xhx n GLU 338 Cb 0.19 -1.69 -0.10 0.00 0.27 0.00 0.00 31.44 30.10 1xhx n GLU 338 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1xhx n HIS 339 N -2.98 0.47 -4.45 4.31 8.25 -0.84 -4.96 115.22 115.02 1xhx n HIS 339 Ca -0.24 0.14 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 1xhx n HIS 339 Cb 1.09 -0.78 -0.10 0.00 1.12 0.00 0.00 29.99 31.31 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 -3.29 2.07 -0.23 4.41 1.51 0.13 -0.83 117.35 121.12 1xhx s TYR 340 Ca -0.05 -0.60 -0.09 0.00 -1.01 0.00 0.00 57.07 55.32 1xhx s TYR 340 Cb 0.11 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1xhx s TYR 340 CO 0.85 0.41 0.12 -0.51 -1.11 0.00 0.00 175.55 175.31 1xhx s ASP 341 N -3.48 5.80 -0.10 2.29 1.01 0.24 -4.63 116.67 117.81 1xhx s ASP 341 Ca 0.29 0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.57 1xhx s ASP 341 Cb 0.02 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 1xhx s ASP 341 CO 0.13 0.08 0.01 -0.76 0.21 0.00 0.00 175.17 174.83 1xhx s LEU 342 N 0.98 3.59 0.17 1.23 1.43 -1.26 -0.04 118.68 124.77 1xhx s LEU 342 Ca 0.06 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1xhx s LEU 342 Cb -0.14 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1xhx s LEU 342 CO 0.03 0.34 -0.14 -0.31 0.23 0.00 0.00 176.35 176.50 1xhx s TYR 343 N -0.66 1.57 -1.33 0.29 4.12 0.56 -4.83 117.35 117.06 1xhx s TYR 343 Ca 0.11 -0.58 -0.17 0.00 0.02 0.00 0.00 57.07 56.45 1xhx s TYR 343 Cb -0.12 -0.77 0.02 0.00 -1.52 0.00 0.00 41.96 39.58 1xhx s TYR 343 CO 0.02 0.25 0.32 0.09 0.02 0.00 0.00 175.55 176.25 1xhx n ASN 344 N -0.00 -1.42 -4.72 2.29 3.02 -1.26 -1.64 115.26 111.53 1xhx n ASN 344 Ca -0.11 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 52.78 1xhx n ASN 344 Cb 0.59 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 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 -3.97 4.30 -0.10 2.41 1.01 -1.26 -4.27 120.40 118.51 1xhx s VAL 345 Ca 0.23 1.76 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 1xhx s VAL 345 Cb -0.13 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.16 1xhx s VAL 345 CO 0.95 0.20 0.02 -0.70 0.00 0.00 0.00 175.10 175.56 1xhx s GLU 346 N 0.54 0.53 -0.40 2.72 2.12 0.10 -5.00 118.70 119.32 1xhx s GLU 346 Ca 0.53 -0.00 -0.22 0.00 0.36 0.00 0.00 54.97 55.64 1xhx s GLU 346 Cb -0.26 -1.25 0.01 0.00 0.26 0.00 0.00 34.13 32.89 1xhx s GLU 346 CO 0.30 -0.41 0.70 0.71 -0.54 0.00 0.00 175.26 176.02 1xhx s TYR 347 N 1.97 3.08 -0.12 5.30 1.51 -1.26 -0.05 117.35 127.78 1xhx s TYR 347 Ca 0.03 0.23 -0.06 0.00 -1.01 0.00 0.00 57.07 56.27 1xhx s TYR 347 Cb -0.14 -3.36 -0.04 0.00 -0.11 0.00 0.00 41.96 38.31 1xhx s TYR 347 CO -0.06 -0.79 0.01 0.82 -1.11 0.00 0.00 175.55 174.41 1xhx h ILE 348 N 5.81 0.17 -1.83 2.71 2.04 -1.46 -3.35 117.51 121.60 1xhx h ILE 348 Ca -0.25 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.51 1xhx h ILE 348 Cb 1.10 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1xhx h ILE 348 CO 0.89 0.06 0.20 -1.54 0.00 0.00 0.00 178.15 177.76 1xhx n SER 349 N -4.70 -0.53 0.00 1.72 3.41 -1.21 -1.12 113.62 111.20 1xhx n SER 349 Ca -0.05 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1xhx n SER 349 Cb 0.15 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1xhx n SER 349 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhx n GLY 350 N -0.24 -1.14 2.87 5.00 0.00 -0.70 -0.05 105.19 110.92 1xhx n GLY 350 Ca -0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 1.50 0.08 0.99 1.43 -0.14 -2.11 118.68 120.43 1xhx s LEU 351 Ca 0.00 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1xhx s LEU 351 Cb 0.00 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1xhx s LEU 351 CO 0.00 -0.04 -0.18 -1.59 0.23 0.00 0.00 176.35 174.77 1xhx s LYS 352 N 0.58 1.94 0.09 1.70 -2.85 -0.91 -0.05 119.74 120.24 1xhx s LYS 352 Ca -0.06 -1.08 0.05 0.00 -1.00 0.00 0.00 55.97 53.89 1xhx s LYS 352 Cb -0.09 -2.16 -0.03 0.00 -2.06 0.00 0.00 37.83 33.49 1xhx s LYS 352 CO -0.01 0.51 -0.14 -0.06 0.10 0.00 0.00 175.35 175.75 1xhx s PHE 353 N -1.04 1.27 0.72 1.78 0.40 0.34 -2.05 117.98 119.40 1xhx s PHE 353 Ca 0.17 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 1xhx s PHE 353 Cb -0.11 -0.70 0.03 0.00 0.51 0.00 0.00 43.02 42.76 1xhx s PHE 353 CO 0.08 0.08 1.10 0.15 0.70 0.00 0.00 175.22 177.34 1xhx s LYS 354 N -2.11 2.49 0.13 0.44 1.02 -1.23 -3.03 119.74 117.45 1xhx s LYS 354 Ca 0.02 1.29 -0.09 0.00 0.02 0.00 0.00 55.97 57.21 1xhx s LYS 354 Cb -0.08 -1.92 -0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1xhx s LYS 354 CO 0.02 -1.48 0.26 0.00 -0.92 0.00 0.00 175.35 173.23 1xhx s ALA 355 N -2.61 -0.15 0.19 5.17 0.00 -1.26 -1.81 121.76 121.29 1xhx s ALA 355 Ca 0.64 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 51.65 1xhx s ALA 355 Cb -0.19 0.70 0.06 0.00 0.00 0.00 0.00 23.12 23.69 1xhx s ALA 355 CO 0.49 -0.59 0.63 -0.08 0.00 0.00 0.00 175.76 176.20 1xhx s THR 356 N -3.92 0.00 -1.53 0.00 -1.32 -0.37 -4.93 115.64 103.58 1xhx s THR 356 Ca 0.11 -0.29 0.13 0.00 -1.21 0.00 0.00 61.69 60.44 1xhx s THR 356 Cb 0.04 -1.28 0.19 0.00 -1.51 0.00 0.00 72.50 69.93 1xhx s THR 356 CO -0.05 -0.01 1.04 0.35 -2.21 0.00 0.00 174.62 173.74 1xhx n THR 357 N -0.40 0.29 -1.76 5.08 -2.24 -1.26 -0.95 114.28 113.04 1xhx n THR 357 Ca -0.13 -0.65 0.03 0.00 -2.27 0.00 0.00 64.05 61.03 1xhx n THR 357 Cb 0.63 1.05 0.17 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.76 4.65 0.12 3.38 0.00 -1.26 -4.54 105.19 108.30 1xhx n GLY 358 Ca 0.10 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 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 1.11 0.18 -0.27 0.99 3.38 -1.87 -3.35 115.31 115.47 1xhx h LEU 359 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xhx h LEU 359 Cb 1.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xhx h LEU 359 CO 0.07 0.91 -0.58 0.49 0.09 0.00 0.00 178.44 179.42 1xhx n PHE 360 N -3.67 0.00 -0.22 1.13 3.01 -1.26 -4.74 117.46 111.70 1xhx n PHE 360 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1xhx n PHE 360 Cb 0.76 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.31 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 0.54 0.02 -0.43 -1.08 1.57 -1.84 0.10 116.57 115.45 1xhx h LYS 361 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xhx h LYS 361 Cb 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1xhx h LYS 361 CO 0.00 0.01 0.17 -0.44 -0.57 0.00 0.00 179.45 178.62 1xhx h ASP 362 N 0.02 0.60 -0.71 0.86 3.32 -1.85 0.67 116.42 119.32 1xhx h ASP 362 Ca 0.33 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1xhx h ASP 362 Cb 0.51 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1xhx h ASP 362 CO -0.66 0.61 0.44 0.15 -1.72 0.00 0.00 179.24 178.06 1xhx h PHE 363 N 0.55 0.83 -0.10 4.55 3.57 -1.66 -0.78 116.94 123.90 1xhx h PHE 363 Ca 0.14 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 1xhx h PHE 363 Cb 0.20 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1xhx h PHE 363 CO 0.00 0.47 -0.73 0.82 -2.23 0.00 0.00 178.31 176.65 1xhx h ILE 364 N 0.87 1.35 -0.29 1.41 2.04 -0.73 -2.76 117.51 119.40 1xhx h ILE 364 Ca 0.29 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 1xhx h ILE 364 Cb 0.02 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1xhx h ILE 364 CO -0.11 0.63 0.10 0.44 0.00 0.00 0.00 178.15 179.21 1xhx h ASP 365 N 0.35 0.42 0.63 1.72 3.32 -0.54 -1.07 116.42 121.26 1xhx h ASP 365 Ca -0.03 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1xhx h ASP 365 Cb 1.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1xhx h ASP 365 CO 0.13 0.50 -0.43 0.50 -1.72 0.00 0.00 179.24 178.22 1xhx h LYS 366 N 0.31 -0.98 0.00 3.56 3.64 -1.15 -1.88 116.57 120.07 1xhx h LYS 366 Ca 0.09 0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1xhx h LYS 366 Cb 0.23 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1xhx h LYS 366 CO -0.00 -0.66 -0.17 -1.49 -2.27 0.00 0.00 179.45 174.86 1xhx h TRP 367 N -1.02 0.00 -0.12 1.91 4.06 -1.53 -2.03 115.95 117.22 1xhx h TRP 367 Ca -0.08 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.75 1xhx h TRP 367 Cb 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 1xhx h TRP 367 CO -0.13 0.17 -0.38 1.15 -3.56 0.00 0.00 178.44 175.69 1xhx h THR 368 N 0.00 1.37 -0.20 1.49 2.02 -1.08 -0.54 112.91 115.98 1xhx h THR 368 Ca -0.00 -1.69 0.05 0.00 0.77 0.00 0.00 66.41 65.54 1xhx h THR 368 Cb 0.59 2.13 -0.06 0.00 -1.74 0.00 0.00 68.15 69.08 1xhx h THR 368 CO 0.02 0.50 -0.16 0.22 0.37 0.00 0.00 175.52 176.48 1xhx h TYR 369 N 0.06 -0.41 -0.70 3.16 3.20 -1.01 0.84 116.97 122.11 1xhx h TYR 369 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1xhx h TYR 369 Cb 1.01 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 1xhx h TYR 369 CO 0.11 -0.23 0.39 0.82 -1.64 0.00 0.00 178.16 177.60 1xhx h ILE 370 N -0.17 1.21 -0.18 1.81 2.04 -1.37 0.79 117.51 121.64 1xhx h ILE 370 Ca 0.12 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 1xhx h ILE 370 Cb 0.35 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1xhx h ILE 370 CO -0.30 0.23 -0.12 0.50 0.00 0.00 0.00 178.15 178.46 1xhx h LYS 371 N 0.98 0.41 -0.01 2.37 3.11 0.24 -2.98 116.57 120.68 1xhx h LYS 371 Ca 0.25 -0.19 -0.09 0.00 -2.81 0.00 0.00 60.65 57.81 1xhx h LYS 371 Cb 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1xhx h LYS 371 CO -0.04 0.73 -0.42 1.15 -2.81 0.00 0.00 179.45 178.06 1xhx h THR 372 N 0.08 1.30 -0.52 1.00 2.02 0.10 -3.11 112.91 113.79 1xhx h THR 372 Ca 0.04 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1xhx h THR 372 Cb 0.62 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1xhx h THR 372 CO 0.03 0.41 0.00 0.35 0.37 0.00 0.00 175.52 176.69 1xhx n THR 373 N -4.04 2.34 -4.33 3.16 -2.24 0.24 -4.98 114.28 104.43 1xhx n THR 373 Ca -0.02 -1.44 -0.17 0.00 -2.27 0.00 0.00 64.05 60.15 1xhx n THR 373 Cb 0.45 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 1xhx n THR 373 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xhx s SER 374 N -1.08 1.33 0.18 3.42 0.01 -1.13 -5.02 113.70 111.42 1xhx s SER 374 Ca 0.50 -1.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.28 1xhx s SER 374 Cb 0.37 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.82 1xhx s SER 374 CO 0.17 -0.80 0.13 -1.61 0.41 0.00 0.00 173.24 171.54 1xhx s GLU 375 N -3.95 1.13 4.28 12.44 0.41 -1.26 -4.76 118.70 126.99 1xhx s GLU 375 Ca 0.37 -1.54 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 1xhx s GLU 375 Cb 0.07 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.69 1xhx s GLU 375 CO 0.15 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 174.97 1xhx n GLY 376 N -0.22 1.53 0.41 -1.39 0.00 -1.26 -3.60 105.19 100.65 1xhx n GLY 376 Ca -0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.95 -0.30 -0.68 4.61 0.00 -1.63 -1.01 119.26 119.30 1xhx h ALA 377 Ca 0.00 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1xhx h ALA 377 Cb 0.00 1.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1xhx h ALA 377 CO 0.00 -0.84 0.32 0.82 0.00 0.00 0.00 179.25 179.55 1xhx h ILE 378 N -0.05 0.83 -0.63 0.00 1.08 -1.94 -0.81 117.51 116.00 1xhx h ILE 378 Ca 0.22 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1xhx h ILE 378 Cb 0.50 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1xhx h ILE 378 CO -0.91 0.10 0.39 0.50 -0.69 0.00 0.00 178.15 177.55 1xhx h LYS 379 N 0.55 0.85 -0.24 2.37 3.64 -1.28 -0.85 116.57 121.61 1xhx h LYS 379 Ca 0.33 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 1xhx h LYS 379 Cb 0.36 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1xhx h LYS 379 CO -0.27 0.60 -0.23 1.96 -2.27 0.00 0.00 179.45 179.23 1xhx h GLN 380 N 0.86 0.44 -0.14 1.90 1.08 -0.53 -1.12 115.11 117.60 1xhx h GLN 380 Ca 0.23 -0.16 -0.16 0.00 -1.45 0.00 0.00 58.65 57.11 1xhx h GLN 380 Cb -0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1xhx h GLN 380 CO -0.04 0.65 -0.60 -0.07 -0.95 0.00 0.00 178.83 177.82 1xhx h LEU 381 N 0.40 0.52 -0.58 1.46 3.38 -0.75 -1.27 115.31 118.47 1xhx h LEU 381 Ca 0.06 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1xhx h LEU 381 Cb 0.63 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1xhx h LEU 381 CO 0.04 1.00 0.11 0.00 0.09 0.00 0.00 178.44 179.68 1xhx h ALA 382 N 1.01 0.76 -0.63 1.53 0.00 -0.78 -0.29 119.26 120.85 1xhx h ALA 382 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1xhx h ALA 382 Cb 1.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xhx h ALA 382 CO 0.11 0.49 0.16 0.87 0.00 0.00 0.00 179.25 180.88 1xhx h LYS 383 N 0.84 0.99 -0.20 0.00 1.57 -0.98 -2.03 116.57 116.76 1xhx h LYS 383 Ca 0.18 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xhx h LYS 383 Cb 0.39 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1xhx h LYS 383 CO 0.01 0.88 0.13 -0.07 -0.57 0.00 0.00 179.45 179.82 1xhx h LEU 384 N 0.95 0.23 0.04 2.94 3.38 -0.74 -0.57 115.31 121.54 1xhx h LEU 384 Ca 0.20 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1xhx h LEU 384 Cb 0.33 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1xhx h LEU 384 CO -0.00 0.19 -0.19 0.24 0.09 0.00 0.00 178.44 178.77 1xhx h MET 385 N 0.26 -0.31 -0.24 1.13 2.86 -0.78 0.26 114.93 118.11 1xhx h MET 385 Ca 0.07 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1xhx h MET 385 Cb -0.01 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1xhx h MET 385 CO -0.01 -0.21 0.11 -0.07 1.06 0.00 0.00 176.91 177.79 1xhx h LEU 386 N -0.33 0.16 -0.50 1.22 3.38 -1.25 -3.11 115.31 114.89 1xhx h LEU 386 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xhx h LEU 386 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xhx h LEU 386 CO -0.15 0.13 0.00 0.78 0.09 0.00 0.00 178.44 179.29 1xhx h ASN 387 N 0.24 0.00 0.17 -0.43 2.35 -0.91 -3.32 115.58 113.67 1xhx h ASN 387 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xhx h ASN 387 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1xhx h ASN 387 CO -0.07 0.00 -0.80 -1.20 -1.65 0.00 0.00 177.43 173.71 1xhx n SER 388 N -2.68 0.87 -0.08 5.81 7.64 0.06 -4.42 113.62 120.82 1xhx n SER 388 Ca 0.03 -0.77 -0.12 0.00 1.01 0.00 0.00 58.87 59.02 1xhx n SER 388 Cb 0.38 0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.11 0.52 -0.52 -3.43 5.85 -1.65 -3.25 115.31 112.93 1xhx h LEU 389 Ca 0.00 -0.40 0.09 0.00 0.84 0.00 0.00 57.88 58.41 1xhx h LEU 389 Cb 0.51 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1xhx h LEU 389 CO 0.00 0.80 0.11 0.22 -0.34 0.00 0.00 178.44 179.23 1xhx h TYR 390 N 0.23 0.18 -0.68 1.25 3.20 -1.81 -2.10 116.97 117.25 1xhx h TYR 390 Ca 0.06 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.08 1xhx h TYR 390 Cb 0.59 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1xhx h TYR 390 CO 0.06 -0.00 0.46 0.78 -1.64 0.00 0.00 178.16 177.81 1xhx h GLY 391 N 0.25 0.64 2.00 1.82 0.00 -1.81 -0.24 103.07 105.73 1xhx h GLY 391 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1xhx h GLY 391 CO -0.34 0.08 0.00 0.50 0.00 0.00 0.00 176.54 176.79 1xhx h LYS 392 N 0.42 0.00 -0.01 4.80 1.79 -1.46 0.16 116.57 122.26 1xhx h LYS 392 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1xhx h LYS 392 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1xhx h LYS 392 CO -0.10 0.00 -0.43 1.19 -1.08 0.00 0.00 179.45 179.03 1xhx n PHE 393 N -2.36 0.00 0.00 -1.35 3.01 -0.11 -4.41 117.46 112.25 1xhx n PHE 393 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1xhx n PHE 393 Cb 0.18 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 -0.07 2.01 -1.26 4.37 0.00 -0.49 -3.12 120.51 121.94 1xhx n ALA 394 Ca 0.10 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 1xhx n ALA 394 Cb 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.18 -2.72 -4.88 0.00 3.41 -0.08 -4.96 113.62 103.22 1xhx n SER 395 Ca 0.00 0.80 -0.35 0.00 -0.26 0.00 0.00 58.87 59.06 1xhx n SER 395 Cb 0.00 -0.86 -0.05 0.00 -0.26 0.00 0.00 64.21 63.04 1xhx n SER 395 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xhx s ASN 396 N -0.97 6.52 -0.46 4.04 0.01 -1.26 -5.01 114.94 117.81 1xhx s ASN 396 Ca 0.58 0.60 -0.05 0.00 -0.71 0.00 0.00 52.86 53.27 1xhx s ASN 396 Cb -0.63 -2.11 -0.14 0.00 0.41 0.00 0.00 41.25 38.78 1xhx s ASN 396 CO 0.61 0.28 2.59 -2.65 -1.51 0.00 0.00 177.10 176.42 1xhx n PRO 397 N 1.31 1.90 -1.52 -0.60 -0.02 -1.26 -4.93 135.00 129.88 1xhx n PRO 397 Ca -0.13 -1.10 -0.40 0.00 -2.02 0.00 0.00 63.50 59.85 1xhx n PRO 397 Cb 0.53 -2.14 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1xhx n PRO 397 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xhx n ASP 398 N 3.18 1.47 0.00 2.55 5.75 -1.26 -4.72 116.55 123.52 1xhx n ASP 398 Ca 0.41 -0.13 0.04 0.00 -0.01 0.00 0.00 54.79 55.09 1xhx n ASP 398 Cb 0.46 -1.28 -0.11 0.00 -1.03 0.00 0.00 41.12 39.15 1xhx n ASP 398 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1xhx n VAL 399 N 7.71 0.70 0.00 2.12 0.31 -1.26 -4.69 118.33 123.23 1xhx n VAL 399 Ca 0.49 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1xhx n VAL 399 Cb 0.30 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1xhx n VAL 399 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1xhx n THR 400 N -2.60 0.00 0.00 2.52 -1.04 -1.26 -0.99 114.28 110.91 1xhx n THR 400 Ca -0.10 0.98 0.00 0.00 -2.04 0.00 0.00 64.05 62.88 1xhx n THR 400 Cb 0.75 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1xhx n THR 400 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xhx n GLY 401 N 0.10 -1.66 3.13 3.41 0.00 -1.26 -4.12 105.19 104.78 1xhx n GLY 401 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 1xhx n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhx s LYS 402 N -2.20 1.25 -0.09 1.61 1.02 0.11 -1.98 119.74 119.46 1xhx s LYS 402 Ca 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 55.48 1xhx s LYS 402 Cb 0.00 -1.21 -0.00 0.00 -0.52 0.00 0.00 37.83 36.10 1xhx s LYS 402 CO 0.00 0.33 -0.23 0.08 -0.92 0.00 0.00 175.35 174.61 1xhx s VAL 403 N -0.36 2.14 0.40 3.17 1.01 -1.00 -4.31 120.40 121.45 1xhx s VAL 403 Ca 0.06 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 1xhx s VAL 403 Cb -0.06 -1.81 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 1xhx s VAL 403 CO -0.01 0.56 0.95 -2.84 0.00 0.00 0.00 175.10 173.77 1xhx s PRO 404 N 0.20 4.33 -0.23 2.72 0.02 -1.26 -2.14 135.00 138.64 1xhx s PRO 404 Ca -0.14 1.20 -0.20 0.00 0.02 0.00 0.00 61.00 61.87 1xhx s PRO 404 Cb -0.17 -2.37 0.06 0.00 0.02 0.00 0.00 34.50 32.04 1xhx s PRO 404 CO 0.07 0.05 0.61 1.52 -0.33 0.00 0.00 177.00 178.92 1xhx s TYR 405 N -1.99 -0.69 -0.18 6.54 -0.85 -0.23 -4.71 117.35 115.24 1xhx s TYR 405 Ca 0.58 1.65 -0.29 0.00 -0.52 0.00 0.00 57.07 58.49 1xhx s TYR 405 Cb -0.12 0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.46 1xhx s TYR 405 CO 0.17 -0.34 1.33 -1.17 -1.52 0.00 0.00 175.55 174.02 1xhx s LEU 406 N 0.45 4.12 1.19 -3.49 2.96 -1.26 -1.07 118.68 121.58 1xhx s LEU 406 Ca -0.01 1.65 -0.16 0.00 -0.22 0.00 0.00 54.13 55.40 1xhx s LEU 406 Cb -0.04 -3.54 0.28 0.00 0.50 0.00 0.00 46.19 43.39 1xhx s LEU 406 CO -0.01 -0.87 1.04 -0.54 -1.32 0.00 0.00 176.35 174.65 1xhx s LYS 407 N 3.76 -1.10 0.00 1.98 1.02 0.69 -4.91 119.74 121.17 1xhx s LYS 407 Ca 0.58 0.44 0.15 0.00 0.02 0.00 0.00 55.97 57.16 1xhx s LYS 407 Cb -0.22 -1.56 0.76 0.00 -0.52 0.00 0.00 37.83 36.28 1xhx s LYS 407 CO 0.19 -3.74 1.39 0.39 -0.92 0.00 0.00 175.35 172.66 1xhx n GLU 408 N -4.87 0.24 0.00 1.68 4.71 -1.26 -2.96 120.64 118.17 1xhx n GLU 408 Ca 0.07 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 1xhx n GLU 408 Cb 0.57 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 1xhx n GLU 408 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1xhx n ASN 409 N -1.25 1.01 0.00 1.62 2.04 -1.26 -4.99 115.26 112.42 1xhx n ASN 409 Ca 0.07 -1.27 0.00 0.00 -0.44 0.00 0.00 54.58 52.95 1xhx n ASN 409 Cb 0.11 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 1xhx n ASN 409 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xhx n GLY 410 N -0.13 3.14 3.85 4.83 0.00 -1.16 -4.74 105.19 110.98 1xhx n GLY 410 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.73 2.49 0.07 4.61 0.00 -1.26 -3.95 121.76 120.99 1xhx s ALA 411 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1xhx s ALA 411 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1xhx s ALA 411 CO 0.00 -1.61 0.41 -1.17 0.00 0.00 0.00 175.76 173.39 1xhx s LEU 412 N -5.63 4.37 0.14 0.00 2.96 -1.26 -0.22 118.68 119.04 1xhx s LEU 412 Ca 0.61 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 1xhx s LEU 412 Cb -0.12 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1xhx s LEU 412 CO 0.52 0.19 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.90 1xhx s GLY 413 N -1.66 1.02 0.10 7.98 0.00 -0.23 -4.80 107.32 109.75 1xhx s GLY 413 Ca 0.32 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.58 1xhx s GLY 413 CO 0.17 -1.47 -0.09 -1.36 0.00 0.00 0.00 173.10 170.35 1xhx s PHE 414 N -3.72 1.02 -0.12 1.90 0.40 -1.26 -1.06 117.98 115.14 1xhx s PHE 414 Ca 0.20 -0.74 -0.06 0.00 -0.60 0.00 0.00 56.93 55.72 1xhx s PHE 414 Cb 0.06 -0.56 0.05 0.00 0.51 0.00 0.00 43.02 43.08 1xhx s PHE 414 CO 0.01 -0.04 0.28 1.03 0.70 0.00 0.00 175.22 177.19 1xhx s ARG 415 N -3.21 0.24 -0.97 0.44 0.52 -0.91 -4.97 118.95 110.09 1xhx s ARG 415 Ca 0.08 0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 55.70 1xhx s ARG 415 Cb 0.00 -0.10 -0.28 0.00 0.52 0.00 0.00 34.95 35.09 1xhx s ARG 415 CO -0.01 -0.17 2.31 1.28 0.02 0.00 0.00 175.30 178.73 1xhx n LEU 416 N 4.29 -0.72 -4.44 2.53 4.77 -1.26 -2.39 117.00 119.78 1xhx n LEU 416 Ca -0.24 -0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.18 1xhx n LEU 416 Cb 0.53 -0.67 0.16 0.00 -2.33 0.00 0.00 43.42 41.11 1xhx n LEU 416 CO 0.13 -1.11 0.03 0.61 -1.33 0.00 0.00 177.39 175.72 1xhx n GLY 417 N 5.74 -1.83 3.75 -0.72 0.00 -0.84 -4.86 105.19 106.44 1xhx n GLY 417 Ca 0.65 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1xhx n GLY 417 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xhx s GLU 418 N -3.89 2.41 0.30 1.61 2.02 -1.26 -4.54 118.70 115.35 1xhx s GLU 418 Ca 0.60 1.45 -0.30 0.00 0.02 0.00 0.00 54.97 56.74 1xhx s GLU 418 Cb -0.20 -1.90 -0.12 0.00 0.10 0.00 0.00 34.13 32.02 1xhx s GLU 418 CO 0.65 -1.56 1.54 0.39 0.02 0.00 0.00 175.26 176.30 1xhx n GLU 419 N -2.83 2.58 -4.24 1.61 1.02 -1.26 -4.81 120.64 112.71 1xhx n GLU 419 Ca 0.11 0.91 -0.14 0.00 -0.02 0.00 0.00 57.16 58.03 1xhx n GLU 419 Cb 0.52 -2.66 -0.10 0.00 -0.02 0.00 0.00 31.44 29.17 1xhx n GLU 419 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1xhx s GLU 420 N -0.76 1.21 -0.18 3.49 2.56 -0.16 -5.03 118.70 119.83 1xhx s GLU 420 Ca 0.63 -1.62 -0.30 0.00 0.00 0.00 0.00 54.97 53.67 1xhx s GLU 420 Cb -0.52 -0.06 0.14 0.00 2.00 0.00 0.00 34.13 35.69 1xhx s GLU 420 CO 0.51 -0.27 1.10 -0.08 -0.56 0.00 0.00 175.26 175.96 1xhx s THR 421 N -3.87 0.00 -0.21 -1.70 -1.32 -1.26 -4.20 115.64 103.08 1xhx s THR 421 Ca 0.32 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.79 1xhx s THR 421 Cb 0.07 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.12 1xhx s THR 421 CO 0.09 0.00 -0.02 -0.54 -2.21 0.00 0.00 174.62 171.94 1xhx s LYS 422 N -1.34 1.19 0.13 7.08 -0.14 -1.26 -5.11 119.74 120.28 1xhx s LYS 422 Ca 0.02 -0.68 -0.31 0.00 -1.36 0.00 0.00 55.97 53.64 1xhx s LYS 422 Cb -0.01 -2.29 -0.10 0.00 -1.68 0.00 0.00 37.83 33.76 1xhx s LYS 422 CO -0.02 -0.59 1.65 -0.51 -0.76 0.00 0.00 175.35 175.12 1xhx s ASP 423 N 1.63 6.55 1.01 2.83 1.01 -1.26 -4.90 116.67 123.53 1xhx s ASP 423 Ca -0.03 2.61 -0.20 0.00 0.71 0.00 0.00 52.55 55.64 1xhx s ASP 423 Cb -0.18 -2.58 -0.12 0.00 1.01 0.00 0.00 42.92 41.06 1xhx s ASP 423 CO -0.07 -0.88 -0.81 -2.65 0.21 0.00 0.00 175.17 170.96 1xhx n PRO 424 N 4.78 -0.19 0.13 8.23 -0.02 -1.26 -4.99 135.00 141.68 1xhx n PRO 424 Ca 0.15 -0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.49 1xhx n PRO 424 Cb 0.39 -1.18 -0.06 0.00 -0.02 0.00 0.00 33.50 32.63 1xhx n PRO 424 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xhx h VAL 425 N -1.17 0.40 -0.08 -1.45 2.07 -1.93 -3.46 116.25 110.63 1xhx h VAL 425 Ca -0.43 -0.82 0.11 0.00 0.82 0.00 0.00 66.70 66.38 1xhx h VAL 425 Cb 1.33 0.67 -0.16 0.00 -1.52 0.00 0.00 31.29 31.61 1xhx h VAL 425 CO 0.25 0.10 -0.06 -0.47 0.02 0.00 0.00 177.57 177.41 1xhx s TYR 426 N -3.46 -0.14 0.32 1.57 5.04 -1.26 -4.81 117.35 114.61 1xhx s TYR 426 Ca -0.10 -0.00 0.10 0.00 -2.44 0.00 0.00 57.07 54.62 1xhx s TYR 426 Cb 0.01 0.03 0.88 0.00 0.35 0.00 0.00 41.96 43.22 1xhx s TYR 426 CO 0.36 -0.10 1.74 1.79 -1.34 0.00 0.00 175.55 178.00 1xhx h THR 427 N 2.84 0.57 -0.56 4.34 1.35 -1.90 -2.27 112.91 117.28 1xhx h THR 427 Ca -0.04 -0.21 0.15 0.00 -0.55 0.00 0.00 66.41 65.76 1xhx h THR 427 Cb 1.22 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 1xhx h THR 427 CO -0.11 0.11 0.40 -0.65 -0.25 0.00 0.00 175.52 175.02 1xhx h PRO 428 N 0.60 0.09 -0.21 4.72 0.11 -1.93 -1.28 132.00 134.10 1xhx h PRO 428 Ca 0.63 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.58 1xhx h PRO 428 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xhx h PRO 428 CO -0.44 0.06 -0.49 1.98 -0.21 0.00 0.00 178.00 178.89 1xhx h MET 429 N 0.09 0.58 -0.25 1.05 4.05 -1.70 -2.26 114.93 116.49 1xhx h MET 429 Ca 0.27 -0.34 -0.12 0.00 -0.28 0.00 0.00 59.70 59.24 1xhx h MET 429 Cb 0.95 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.76 1xhx h MET 429 CO -0.02 0.94 -0.33 0.78 0.23 0.00 0.00 176.91 178.50 1xhx h GLY 430 N 1.04 0.58 0.78 1.39 0.00 -1.18 -1.29 103.07 104.38 1xhx h GLY 430 Ca 0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1xhx h GLY 430 CO 0.09 0.48 0.01 -2.08 0.00 0.00 0.00 176.54 175.05 1xhx h VAL 431 N 0.46 1.20 -0.05 4.60 2.07 -1.29 -2.90 116.25 120.33 1xhx h VAL 431 Ca 0.05 -0.61 -0.21 0.00 0.82 0.00 0.00 66.70 66.76 1xhx h VAL 431 Cb 0.80 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1xhx h VAL 431 CO 0.07 0.17 -0.83 -0.26 0.02 0.00 0.00 177.57 176.73 1xhx h PHE 432 N -0.16 0.66 -0.19 1.57 -1.00 -1.33 -1.74 116.94 114.76 1xhx h PHE 432 Ca 0.01 -0.32 -0.01 0.00 2.81 0.00 0.00 57.97 60.47 1xhx h PHE 432 Cb 0.26 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1xhx h PHE 432 CO 0.01 1.12 0.09 0.82 -1.61 0.00 0.00 178.31 178.74 1xhx h ILE 433 N 0.30 1.14 -0.36 -0.55 2.04 -1.31 0.56 117.51 119.32 1xhx h ILE 433 Ca -0.06 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 1xhx h ILE 433 Cb 1.44 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1xhx h ILE 433 CO 0.15 0.13 -0.15 0.71 0.00 0.00 0.00 178.15 178.99 1xhx h THR 434 N 0.18 1.25 -0.10 -0.27 1.35 -1.56 -0.51 112.91 113.26 1xhx h THR 434 Ca 0.07 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1xhx h THR 434 Cb 0.13 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xhx h THR 434 CO -0.01 0.39 0.06 0.00 -0.25 0.00 0.00 175.52 175.71 1xhx h ALA 435 N 1.25 0.12 -0.81 6.62 0.00 -0.97 0.78 119.26 126.25 1xhx h ALA 435 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xhx h ALA 435 Cb 0.60 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1xhx h ALA 435 CO 0.04 -0.36 0.37 -1.49 0.00 0.00 0.00 179.25 177.81 1xhx h TRP 436 N 0.09 1.19 -0.50 0.00 4.06 -0.69 0.34 115.95 120.43 1xhx h TRP 436 Ca 0.03 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1xhx h TRP 436 Cb 0.04 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 27.82 1xhx h TRP 436 CO -0.05 0.87 0.26 0.00 -3.56 0.00 0.00 178.44 175.96 1xhx h ALA 437 N 1.20 0.65 -0.46 1.49 0.00 -0.75 -0.63 119.26 120.75 1xhx h ALA 437 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1xhx h ALA 437 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xhx h ALA 437 CO -0.03 0.19 -0.06 0.00 0.00 0.00 0.00 179.25 179.34 1xhx h ARG 438 N 0.67 0.81 -0.23 0.00 3.08 -0.55 -2.80 114.38 115.35 1xhx h ARG 438 Ca 0.18 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xhx h ARG 438 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1xhx h ARG 438 CO -0.03 0.85 0.15 -0.92 -1.07 0.00 0.00 179.97 178.95 1xhx h TYR 439 N 0.74 0.28 -0.24 3.04 3.20 -0.39 -0.90 116.97 122.71 1xhx h TYR 439 Ca 0.13 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1xhx h TYR 439 Cb 0.54 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1xhx h TYR 439 CO 0.03 0.18 -0.18 1.15 -1.64 0.00 0.00 178.16 177.70 1xhx h THR 440 N 0.30 0.50 -0.16 1.81 2.02 -0.88 -1.92 112.91 114.59 1xhx h THR 440 Ca 0.08 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 1xhx h THR 440 Cb -0.03 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1xhx h THR 440 CO -0.02 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 176.50 1xhx h THR 441 N -0.18 1.33 -0.84 3.16 2.02 -1.37 -3.00 112.91 114.03 1xhx h THR 441 Ca 0.13 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1xhx h THR 441 Cb 0.38 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 1xhx h THR 441 CO -0.34 0.36 0.48 0.40 0.37 0.00 0.00 175.52 176.79 1xhx h ILE 442 N 0.02 1.24 -0.01 3.11 2.04 -1.06 -1.27 117.51 121.57 1xhx h ILE 442 Ca 0.03 -0.56 -0.13 0.00 1.00 0.00 0.00 64.86 65.20 1xhx h ILE 442 Cb 0.62 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1xhx h ILE 442 CO 0.03 0.26 -0.59 0.71 0.00 0.00 0.00 178.15 178.56 1xhx h THR 443 N 1.16 1.42 -0.13 -0.27 1.35 -1.43 0.13 112.91 115.14 1xhx h THR 443 Ca 0.30 -2.03 -0.07 0.00 -0.55 0.00 0.00 66.41 64.06 1xhx h THR 443 Cb -0.01 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1xhx h THR 443 CO -0.05 0.58 -0.20 0.00 -0.25 0.00 0.00 175.52 175.60 1xhx h ALA 444 N 1.38 0.20 -0.70 6.62 0.00 -1.32 -2.00 119.26 123.45 1xhx h ALA 444 Ca -0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1xhx h ALA 444 Cb 1.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1xhx h ALA 444 CO 0.08 0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.66 1xhx h ALA 445 N 0.57 1.03 -0.23 0.00 0.00 -1.13 -2.46 119.26 117.03 1xhx h ALA 445 Ca 0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1xhx h ALA 445 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xhx h ALA 445 CO 0.05 0.65 -0.19 0.37 0.00 0.00 0.00 179.25 180.12 1xhx h GLN 446 N 1.04 0.40 0.00 0.00 5.75 -0.94 -1.27 115.11 120.09 1xhx h GLN 446 Ca 0.22 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1xhx h GLN 446 Cb 0.33 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1xhx h GLN 446 CO -0.00 0.58 0.00 0.00 -2.65 0.00 0.00 178.83 176.76 1xhx h ALA 447 N 1.44 1.00 -0.21 3.38 0.00 -0.91 -2.46 119.26 121.51 1xhx h ALA 447 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xhx h ALA 447 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1xhx h ALA 447 CO 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 179.25 179.07 1xhx h TYR 449 N 0.99 0.88 0.00 0.00 3.20 -0.79 0.23 116.97 121.48 1xhx h TYR 449 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1xhx h TYR 449 Cb 1.39 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1xhx h TYR 449 CO 0.86 -0.02 0.00 0.38 -1.64 0.00 0.00 178.16 177.75 1xhx h ASP 450 N 0.44 0.00 0.00 -2.11 2.03 -1.88 -3.08 116.42 111.83 1xhx h ASP 450 Ca 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.97 1xhx h ASP 450 Cb 1.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.00 1xhx h ASP 450 CO -0.46 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.29 1xhx n ARG 451 N -2.71 -0.61 -2.14 4.15 1.74 -0.03 -5.01 116.66 112.06 1xhx n ARG 451 Ca -0.01 -0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 56.25 1xhx n ARG 451 Cb 0.14 -0.86 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 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 -0.03 3.33 -0.16 0.55 1.10 -0.61 -1.41 121.20 123.96 1xhx s ILE 452 Ca 0.00 0.89 -0.09 0.00 -0.51 0.00 0.00 60.65 60.94 1xhx s ILE 452 Cb 0.00 -3.57 -0.07 0.00 0.15 0.00 0.00 42.46 38.97 1xhx s ILE 452 CO 0.00 0.04 -0.22 -0.38 -2.11 0.00 0.00 174.94 172.27 1xhx n ILE 453 N 4.21 1.01 -3.69 2.00 5.41 0.72 -4.81 119.36 124.20 1xhx n ILE 453 Ca 0.13 -0.17 -0.15 0.00 1.00 0.00 0.00 62.75 63.56 1xhx n ILE 453 Cb 0.42 -1.78 -0.08 0.00 -0.71 0.00 0.00 39.64 37.49 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 -2.35 -0.37 0.03 1.39 5.04 -1.12 -1.69 117.35 118.28 1xhx s TYR 454 Ca -0.23 0.69 0.06 0.00 -2.44 0.00 0.00 57.07 55.15 1xhx s TYR 454 Cb 0.08 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.57 1xhx s TYR 454 CO 0.30 -0.42 -0.17 0.00 -1.34 0.00 0.00 175.55 173.92 1xhx s ASP 456 N -1.00 -0.03 0.00 0.00 -1.08 -0.65 -1.40 116.67 112.51 1xhx s ASP 456 Ca 0.05 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.25 1xhx s ASP 456 Cb -0.08 0.99 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 1xhx s ASP 456 CO 0.01 -0.16 0.00 0.41 0.52 0.00 0.00 175.17 175.95 1xhx n THR 457 N 3.55 0.00 -0.79 1.71 -1.04 0.26 -2.77 114.28 115.20 1xhx n THR 457 Ca 0.17 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.26 1xhx n THR 457 Cb 0.51 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.28 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 0.89 3.93 -3.77 8.00 5.75 -1.26 -4.71 116.55 125.38 1xhx n ASP 458 Ca 0.00 -2.75 -0.11 0.00 -0.01 0.00 0.00 54.79 51.91 1xhx n ASP 458 Cb 0.00 -0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 39.52 1xhx n ASP 458 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xhx s SER 459 N -1.55 -0.09 -0.03 -1.12 1.04 -1.11 -0.61 113.70 110.22 1xhx s SER 459 Ca 0.40 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.63 1xhx s SER 459 Cb 0.30 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.77 1xhx s SER 459 CO 0.12 -0.61 -0.14 0.27 0.98 0.00 0.00 173.24 173.85 1xhx s ILE 460 N -2.62 1.19 -0.17 -1.02 -4.36 -0.66 -1.63 121.20 111.92 1xhx s ILE 460 Ca -0.04 -0.60 -0.03 0.00 -0.26 0.00 0.00 60.65 59.72 1xhx s ILE 460 Cb -0.01 -1.02 -0.02 0.00 1.25 0.00 0.00 42.46 42.66 1xhx s ILE 460 CO -0.04 0.35 -0.06 -1.00 0.24 0.00 0.00 174.94 174.43 1xhx s HIS 461 N -0.01 2.94 0.16 1.37 3.76 0.86 -1.66 115.29 122.71 1xhx s HIS 461 Ca -0.01 -0.61 0.09 0.00 -0.15 0.00 0.00 55.06 54.38 1xhx s HIS 461 Cb -0.09 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 1xhx s HIS 461 CO 0.01 -0.26 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.93 1xhx s LEU 462 N 0.77 2.41 0.60 0.89 1.43 -0.34 -0.20 118.68 124.22 1xhx s LEU 462 Ca -0.02 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.12 1xhx s LEU 462 Cb -0.15 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 1xhx s LEU 462 CO 0.02 0.01 1.03 0.42 0.23 0.00 0.00 176.35 178.05 1xhx s THR 463 N -1.80 4.41 0.00 5.49 -4.23 -0.50 -0.64 115.64 118.37 1xhx s THR 463 Ca 0.15 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1xhx s THR 463 Cb -0.07 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1xhx s THR 463 CO 0.07 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 1xhx n GLY 464 N -2.01 -0.58 0.05 3.99 0.00 -0.93 -4.72 105.19 100.99 1xhx n GLY 464 Ca 0.07 -1.67 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 -0.45 0.00 -3.78 2.61 -2.24 -1.26 -2.99 114.28 106.17 1xhx n THR 465 Ca 0.00 -0.48 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 1xhx n THR 465 Cb 0.00 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.64 3.67 0.09 -0.78 2.02 -1.26 -5.00 118.70 116.80 1xhx s GLU 466 Ca 0.02 -0.05 -0.31 0.00 0.02 0.00 0.00 54.97 54.65 1xhx s GLU 466 Cb 0.02 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.91 1xhx s GLU 466 CO 0.05 0.67 1.79 0.42 0.02 0.00 0.00 175.26 178.21 1xhx s ILE 467 N -0.75 2.78 0.31 -1.63 1.01 -1.26 -4.93 121.20 116.73 1xhx s ILE 467 Ca 0.15 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 1xhx s ILE 467 Cb -0.13 -3.12 -0.13 0.00 0.01 0.00 0.00 42.46 39.09 1xhx s ILE 467 CO 0.05 -0.00 1.32 -2.65 0.00 0.00 0.00 174.94 173.66 1xhx n PRO 468 N 5.96 2.11 -0.10 2.79 -0.02 -1.26 -4.89 135.00 139.59 1xhx n PRO 468 Ca 0.17 0.74 -0.02 0.00 -2.02 0.00 0.00 63.50 62.38 1xhx n PRO 468 Cb 0.39 -2.34 0.23 0.00 -0.02 0.00 0.00 33.50 31.76 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 3.03 0.71 -0.15 2.55 3.32 -1.99 -2.81 116.42 121.08 1xhx h ASP 469 Ca -0.46 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.52 1xhx h ASP 469 Cb 1.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1xhx h ASP 469 CO 0.66 0.69 0.17 -0.37 -1.72 0.00 0.00 179.24 178.67 1xhx h VAL 470 N 0.75 0.50 -0.09 -1.35 -1.51 -1.91 -2.68 116.25 109.96 1xhx h VAL 470 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 1xhx h VAL 470 Cb 0.26 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1xhx h VAL 470 CO -0.00 0.00 0.00 2.30 -1.23 0.00 0.00 177.57 178.64 1xhx n ILE 471 N -3.85 0.87 0.24 7.19 -5.35 -1.11 -4.70 119.36 112.65 1xhx n ILE 471 Ca 0.01 -0.94 0.16 0.00 -0.27 0.00 0.00 62.75 61.72 1xhx n ILE 471 Cb 0.28 0.57 0.86 0.00 -1.74 0.00 0.00 39.64 39.61 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 0.61 0.00 0.00 6.28 1.57 -1.22 -2.20 116.57 121.61 1xhx h LYS 472 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1xhx h LYS 472 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.84 1xhx h LYS 472 CO 0.00 0.00 -0.97 -0.44 -0.57 0.00 0.00 179.45 177.47 1xhx h ASP 473 N 0.00 0.85 -0.32 0.86 3.32 -1.84 -3.24 116.42 116.05 1xhx h ASP 473 Ca 0.06 -0.74 -0.08 0.00 0.02 0.00 0.00 57.03 56.28 1xhx h ASP 473 Cb 0.33 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1xhx h ASP 473 CO -0.00 1.48 0.10 2.30 -1.72 0.00 0.00 179.24 181.41 1xhx n ILE 474 N -3.92 1.48 -4.30 0.35 -5.35 -0.84 -4.86 119.36 101.92 1xhx n ILE 474 Ca -0.11 -0.69 -0.34 0.00 -0.27 0.00 0.00 62.75 61.33 1xhx n ILE 474 Cb 0.85 -0.53 -0.09 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.65 4.40 -0.29 7.28 1.01 -1.15 -0.94 120.40 129.06 1xhx s VAL 475 Ca 0.24 -0.30 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 1xhx s VAL 475 Cb 0.19 -2.89 0.19 0.00 0.00 0.00 0.00 36.38 33.87 1xhx s VAL 475 CO 0.06 0.54 1.38 -0.62 0.00 0.00 0.00 175.10 176.45 1xhx s ASP 476 N -1.11 -0.05 0.31 3.32 -1.08 0.38 -4.86 116.67 113.57 1xhx s ASP 476 Ca 0.16 0.07 0.07 0.00 -0.52 0.00 0.00 52.55 52.32 1xhx s ASP 476 Cb -0.11 0.06 0.51 0.00 -1.46 0.00 0.00 42.92 41.92 1xhx s ASP 476 CO 0.05 -0.04 1.74 -0.65 0.52 0.00 0.00 175.17 176.80 1xhx h PRO 477 N 2.41 0.26 0.00 4.34 0.11 -1.96 -3.24 132.00 133.92 1xhx h PRO 477 Ca -0.14 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1xhx h PRO 477 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xhx h PRO 477 CO 0.21 0.58 -0.66 1.63 -0.21 0.00 0.00 178.00 179.54 1xhx n LYS 478 N -4.08 0.93 -1.56 1.05 5.02 -1.26 -4.87 118.16 113.39 1xhx n LYS 478 Ca -0.01 0.00 -0.58 0.00 -2.02 0.00 0.00 58.31 55.70 1xhx n LYS 478 Cb 0.43 -0.83 -0.08 0.00 -0.02 0.00 0.00 35.03 34.53 1xhx n LYS 478 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xhx n LYS 479 N -1.93 0.37 -1.66 1.97 5.02 -1.26 -4.83 118.16 115.84 1xhx n LYS 479 Ca 0.00 0.14 -0.46 0.00 -2.02 0.00 0.00 58.31 55.96 1xhx n LYS 479 Cb 0.33 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 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 2.18 2.90 0.00 -0.35 7.94 -1.26 -1.73 117.00 126.67 1xhx n LEU 480 Ca 0.21 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.22 1xhx n LEU 480 Cb 0.10 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.65 1xhx n LEU 480 CO 0.65 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 1xhx n GLY 481 N 2.80 1.35 3.95 -3.96 0.00 -0.52 -4.99 105.19 103.83 1xhx n GLY 481 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.76 3.31 -0.12 1.61 4.12 -0.71 -4.79 117.35 117.01 1xhx s TYR 482 Ca 0.00 0.21 -0.17 0.00 0.02 0.00 0.00 57.07 57.13 1xhx s TYR 482 Cb 0.00 -2.12 -0.04 0.00 -1.52 0.00 0.00 41.96 38.27 1xhx s TYR 482 CO 0.00 -0.14 0.44 -1.58 0.02 0.00 0.00 175.55 174.29 1xhx s TRP 483 N -2.42 3.52 -0.01 2.71 0.52 -0.11 -0.81 118.94 122.34 1xhx s TRP 483 Ca 0.45 0.85 0.01 0.00 0.02 0.00 0.00 56.10 57.43 1xhx s TRP 483 Cb -0.10 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1xhx s TRP 483 CO 0.36 0.21 0.00 0.00 0.02 0.00 0.00 176.95 177.54 1xhx s ALA 484 N 0.49 3.28 -0.71 0.98 0.00 0.14 -0.47 121.76 125.47 1xhx s ALA 484 Ca 0.24 -0.94 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1xhx s ALA 484 Cb -0.15 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1xhx s ALA 484 CO 0.09 0.64 1.33 -1.58 0.00 0.00 0.00 175.76 176.25 1xhx s HIS 485 N -1.08 2.25 -0.10 0.00 2.46 -1.26 -0.54 115.29 117.01 1xhx s HIS 485 Ca 0.19 0.08 -0.26 0.00 0.47 0.00 0.00 55.06 55.53 1xhx s HIS 485 Cb -0.11 -4.57 -0.28 0.00 -0.13 0.00 0.00 32.58 27.49 1xhx s HIS 485 CO 0.10 -2.06 0.83 0.93 -2.47 0.00 0.00 174.74 172.07 1xhx h GLU 486 N 10.47 0.11 -3.05 2.88 4.39 -1.44 -3.49 114.58 124.45 1xhx h GLU 486 Ca -0.28 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.29 1xhx h GLU 486 Cb 1.06 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 1xhx h GLU 486 CO 1.26 1.07 0.20 -1.54 -1.16 0.00 0.00 179.01 178.84 1xhx s SER 487 N -6.47 -0.28 -0.04 1.42 1.04 -1.19 -4.88 113.70 103.30 1xhx s SER 487 Ca -0.17 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.73 1xhx s SER 487 Cb -0.01 0.70 0.01 0.00 0.10 0.00 0.00 66.02 66.81 1xhx s SER 487 CO 0.74 -1.28 -0.10 -0.89 0.98 0.00 0.00 173.24 172.69 1xhx s THR 488 N -3.91 0.87 0.13 2.02 2.01 -1.26 -0.69 115.64 114.82 1xhx s THR 488 Ca 0.11 -0.38 0.10 0.00 0.31 0.00 0.00 61.69 61.83 1xhx s THR 488 Cb -0.05 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1xhx s THR 488 CO 0.05 0.28 -0.23 0.72 -0.69 0.00 0.00 174.62 174.75 1xhx s PHE 489 N 0.38 2.40 0.08 4.92 -0.12 0.57 -1.95 117.98 124.26 1xhx s PHE 489 Ca -0.07 -0.33 0.08 0.00 -0.05 0.00 0.00 56.93 56.56 1xhx s PHE 489 Cb -0.11 -1.28 -0.22 0.00 -0.63 0.00 0.00 43.02 40.78 1xhx s PHE 489 CO 0.01 0.38 1.11 -0.22 -0.05 0.00 0.00 175.22 176.45 1xhx h LYS 490 N 3.73 0.02 -3.03 1.99 3.64 -1.28 -0.82 116.57 120.82 1xhx h LYS 490 Ca -0.50 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1xhx h LYS 490 Cb 1.17 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.91 1xhx h LYS 490 CO 0.43 0.89 0.20 -0.98 -2.27 0.00 0.00 179.45 177.72 1xhx s ARG 491 N -2.68 1.43 0.28 1.90 1.70 -1.23 -2.03 118.95 118.32 1xhx s ARG 491 Ca -0.01 -0.65 -0.20 0.00 -0.47 0.00 0.00 55.73 54.40 1xhx s ARG 491 Cb 0.09 0.59 0.05 0.00 -0.57 0.00 0.00 34.95 35.11 1xhx s ARG 491 CO 0.82 -0.64 0.85 0.00 -1.08 0.00 0.00 175.30 175.26 1xhx s ALA 492 N -3.81 -1.20 -0.23 7.88 0.00 -0.74 -1.64 121.76 122.01 1xhx s ALA 492 Ca 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 1xhx s ALA 492 Cb -0.02 0.73 0.09 0.00 0.00 0.00 0.00 23.12 23.92 1xhx s ALA 492 CO -0.06 -1.03 0.52 0.21 0.00 0.00 0.00 175.76 175.40 1xhx s LYS 493 N -2.92 0.47 -0.19 0.00 2.20 -0.47 -0.72 119.74 118.12 1xhx s LYS 493 Ca 0.15 1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.87 1xhx s LYS 493 Cb -0.04 0.38 -0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1xhx s LYS 493 CO 0.07 -0.20 -0.09 0.71 -0.36 0.00 0.00 175.35 175.48 1xhx s TYR 494 N 2.29 2.89 -0.19 4.03 1.51 -1.26 -1.19 117.35 125.44 1xhx s TYR 494 Ca -0.06 -0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 54.85 1xhx s TYR 494 Cb -0.10 -2.01 -0.21 0.00 -0.11 0.00 0.00 41.96 39.54 1xhx s TYR 494 CO -0.16 -0.51 0.21 1.28 -1.11 0.00 0.00 175.55 175.27 1xhx n LEU 495 N 4.44 2.10 0.00 -1.29 4.77 0.19 -0.13 117.00 127.09 1xhx n LEU 495 Ca -0.19 0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1xhx n LEU 495 Cb 0.51 -1.00 0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1xhx n LEU 495 CO 0.29 0.47 0.17 0.54 -1.33 0.00 0.00 177.39 177.53 1xhx n ARG 496 N -4.13 0.37 -1.70 3.23 1.74 -1.12 -4.33 116.66 110.71 1xhx n ARG 496 Ca -0.34 -0.74 -0.44 0.00 -0.77 0.00 0.00 57.85 55.56 1xhx n ARG 496 Cb 0.80 0.92 -0.03 0.00 -1.02 0.00 0.00 32.46 33.13 1xhx n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xhx n GLN 497 N -0.18 2.54 -2.82 5.56 6.02 -1.26 -1.61 117.38 125.63 1xhx n GLN 497 Ca -0.03 0.92 -0.22 0.00 -0.01 0.00 0.00 57.00 57.66 1xhx n GLN 497 Cb 0.20 -2.74 0.02 0.00 1.02 0.00 0.00 30.24 28.74 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 3.91 -3.87 -3.37 -1.09 5.02 -1.26 -4.88 118.16 112.62 1xhx n LYS 498 Ca 0.17 0.94 -0.19 0.00 -2.02 0.00 0.00 58.31 57.21 1xhx n LYS 498 Cb 0.33 -5.75 -0.08 0.00 -0.02 0.00 0.00 35.03 29.51 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 -3.14 -0.24 0.25 -0.18 2.01 -0.63 -2.12 115.64 111.59 1xhx s THR 499 Ca 0.21 -1.18 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 1xhx s THR 499 Cb -0.09 -0.75 0.03 0.00 0.01 0.00 0.00 72.50 71.70 1xhx s THR 499 CO 0.26 -0.67 0.67 -0.72 -0.69 0.00 0.00 174.62 173.46 1xhx s TYR 500 N 1.29 -0.22 0.07 4.92 -0.85 0.57 -0.64 117.35 122.50 1xhx s TYR 500 Ca 0.18 -0.18 0.03 0.00 -0.52 0.00 0.00 57.07 56.58 1xhx s TYR 500 Cb -0.16 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1xhx s TYR 500 CO -0.02 -1.13 -0.09 0.96 -1.52 0.00 0.00 175.55 173.75 1xhx s ILE 501 N -3.89 0.76 0.03 -3.49 -4.36 -0.33 -0.61 121.20 109.32 1xhx s ILE 501 Ca 0.10 -1.46 -0.13 0.00 -0.26 0.00 0.00 60.65 58.89 1xhx s ILE 501 Cb -0.04 -1.12 0.02 0.00 1.25 0.00 0.00 42.46 42.56 1xhx s ILE 501 CO 0.03 -0.53 0.29 -1.10 0.24 0.00 0.00 174.94 173.87 1xhx s GLN 502 N -2.46 0.77 -0.45 0.37 -0.21 -0.58 -1.36 119.66 115.74 1xhx s GLN 502 Ca 0.00 -0.47 -0.04 0.00 0.02 0.00 0.00 55.36 54.88 1xhx s GLN 502 Cb -0.05 0.33 0.12 0.00 1.00 0.00 0.00 33.01 34.42 1xhx s GLN 502 CO -0.01 -0.24 0.26 -0.51 -2.12 0.00 0.00 175.29 172.68 1xhx s ASP 503 N -1.94 5.33 -0.03 5.90 1.01 -0.65 -0.56 116.67 125.73 1xhx s ASP 503 Ca -0.06 -2.14 -0.24 0.00 0.71 0.00 0.00 52.55 50.82 1xhx s ASP 503 Cb -0.02 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 1xhx s ASP 503 CO -0.02 -0.54 0.73 -0.63 0.21 0.00 0.00 175.17 174.91 1xhx s ILE 504 N 0.99 4.95 0.03 0.77 -1.09 0.26 -0.88 121.20 126.24 1xhx s ILE 504 Ca 0.09 1.52 -0.30 0.00 -2.23 0.00 0.00 60.65 59.73 1xhx s ILE 504 Cb -0.23 -4.07 -0.08 0.00 -1.58 0.00 0.00 42.46 36.51 1xhx s ILE 504 CO -0.04 0.29 1.68 -0.31 -1.23 0.00 0.00 174.94 175.33 1xhx s TYR 505 N 0.52 2.21 0.17 3.97 1.51 -0.82 -0.36 117.35 124.55 1xhx s TYR 505 Ca 0.38 0.23 0.09 0.00 -1.01 0.00 0.00 57.07 56.76 1xhx s TYR 505 Cb -0.19 -3.97 -0.04 0.00 -0.11 0.00 0.00 41.96 37.65 1xhx s TYR 505 CO 0.20 -3.99 -0.19 -1.64 -1.11 0.00 0.00 175.55 168.83 1xhx s MET 506 N 3.17 1.30 0.03 -0.62 -1.94 0.15 -1.24 119.30 120.14 1xhx s MET 506 Ca 0.75 -1.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1xhx s MET 506 Cb -0.38 -1.37 -0.02 0.00 2.01 0.00 0.00 34.83 35.06 1xhx s MET 506 CO 0.32 0.28 -0.06 -1.59 -0.01 0.00 0.00 175.02 173.97 1xhx s LYS 507 N -2.79 0.42 -0.13 2.03 -2.85 0.30 0.07 119.74 116.78 1xhx s LYS 507 Ca 0.16 -0.67 -0.20 0.00 -1.00 0.00 0.00 55.97 54.26 1xhx s LYS 507 Cb -0.06 -0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.57 1xhx s LYS 507 CO 0.07 0.01 0.55 -1.21 0.10 0.00 0.00 175.35 174.86 1xhx s GLU 508 N -1.49 4.32 -0.06 1.78 2.02 -1.26 -0.67 118.70 123.34 1xhx s GLU 508 Ca -0.12 0.55 -0.02 0.00 0.02 0.00 0.00 54.97 55.40 1xhx s GLU 508 Cb -0.10 -3.48 0.04 0.00 0.10 0.00 0.00 34.13 30.69 1xhx s GLU 508 CO -0.00 0.04 0.11 0.54 0.02 0.00 0.00 175.26 175.96 1xhx s VAL 509 N 0.99 -0.13 -1.34 2.63 0.11 0.57 -4.89 120.40 118.34 1xhx s VAL 509 Ca 0.28 0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 59.58 1xhx s VAL 509 Cb -0.16 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 1xhx s VAL 509 CO 0.12 0.13 0.51 0.47 -3.33 0.00 0.00 175.10 172.99 1xhx n ASP 510 N 4.81 -1.54 0.00 3.54 8.00 -1.26 -1.13 116.55 128.97 1xhx n ASP 510 Ca -0.14 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1xhx n ASP 510 Cb 0.50 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 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 -1.92 0.31 3.20 0.44 0.00 -1.26 -4.98 105.19 100.98 1xhx n GLY 511 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.89 0.91 -0.23 1.61 1.02 -0.29 -5.13 119.74 116.75 1xhx s LYS 512 Ca 0.00 -1.06 -0.19 0.00 0.02 0.00 0.00 55.97 54.74 1xhx s LYS 512 Cb 0.00 -0.90 -0.03 0.00 -0.52 0.00 0.00 37.83 36.38 1xhx s LYS 512 CO 0.00 0.19 0.56 -1.17 -0.92 0.00 0.00 175.35 174.01 1xhx s LEU 513 N -1.97 4.10 0.33 3.17 2.96 -1.26 -0.32 118.68 125.70 1xhx s LEU 513 Ca 0.02 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1xhx s LEU 513 Cb -0.08 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 1xhx s LEU 513 CO 0.03 -0.26 0.08 0.68 -1.32 0.00 0.00 176.35 175.55 1xhx s VAL 514 N 2.05 0.99 0.32 1.68 -7.23 0.15 -4.93 120.40 113.42 1xhx s VAL 514 Ca 0.24 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 1xhx s VAL 514 Cb -0.16 -2.68 -0.11 0.00 0.56 0.00 0.00 36.38 33.99 1xhx s VAL 514 CO 0.09 0.00 1.56 -0.62 -0.31 0.00 0.00 175.10 175.82 1xhx n GLU 515 N -0.71 2.68 -0.26 4.82 4.71 -1.26 -0.54 120.64 130.08 1xhx n GLU 515 Ca -0.03 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.07 1xhx n GLU 515 Cb 0.66 -2.71 0.00 0.00 -1.01 0.00 0.00 31.44 28.38 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 1.61 6.32 3.18 0.62 0.00 -0.37 -4.60 105.19 111.95 1xhx n GLY 516 Ca 0.06 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.74 0.32 0.55 1.61 1.04 -0.78 -4.38 113.70 112.81 1xhx s SER 517 Ca 0.00 -1.30 0.24 0.00 0.48 0.00 0.00 55.95 55.37 1xhx s SER 517 Cb 0.00 0.32 1.47 0.00 0.10 0.00 0.00 66.02 67.91 1xhx s SER 517 CO 0.00 -0.77 2.09 -0.65 0.98 0.00 0.00 173.24 174.89 1xhx h PRO 518 N 2.73 0.00 -0.01 4.02 0.11 -1.95 -0.27 132.00 136.62 1xhx h PRO 518 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1xhx h PRO 518 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xhx h PRO 518 CO 0.57 0.00 -0.18 -0.25 -0.21 0.00 0.00 178.00 177.93 1xhx n ASP 519 N -4.20 1.55 -3.15 -2.05 8.00 -1.26 -4.65 116.55 110.80 1xhx n ASP 519 Ca 0.03 -1.30 -0.02 0.00 0.71 0.00 0.00 54.79 54.20 1xhx n ASP 519 Cb 0.33 0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.28 -1.18 0.19 -2.24 2.15 -0.12 -5.15 116.67 108.04 1xhx s ASP 520 Ca 0.28 -1.09 -0.09 0.00 0.43 0.00 0.00 52.55 52.09 1xhx s ASP 520 Cb 0.20 1.76 -0.01 0.00 -0.30 0.00 0.00 42.92 44.57 1xhx s ASP 520 CO 0.44 -0.16 0.30 -0.72 -0.17 0.00 0.00 175.17 174.87 1xhx s TYR 521 N 1.59 0.50 0.00 -5.34 -0.85 -1.17 -1.86 117.35 110.22 1xhx s TYR 521 Ca 0.19 -0.84 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 1xhx s TYR 521 Cb -0.04 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.22 1xhx s TYR 521 CO -0.06 -0.77 0.00 0.25 -1.52 0.00 0.00 175.55 173.45 1xhx n THR 522 N -0.26 0.00 -3.73 -3.49 -2.24 0.11 -4.93 114.28 99.74 1xhx n THR 522 Ca -0.05 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1xhx n THR 522 Cb 0.63 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1xhx n THR 522 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xhx s ASP 523 N -0.23 -0.10 -0.27 3.42 1.01 -0.22 -4.99 116.67 115.29 1xhx s ASP 523 Ca 0.00 -0.38 -0.01 0.00 0.71 0.00 0.00 52.55 52.87 1xhx s ASP 523 Cb 0.00 0.41 0.04 0.00 1.01 0.00 0.00 42.92 44.38 1xhx s ASP 523 CO 0.00 -0.76 -0.04 -0.63 0.21 0.00 0.00 175.17 173.95 1xhx s ILE 524 N -3.52 2.82 -0.17 0.77 -1.09 -1.26 0.32 121.20 119.06 1xhx s ILE 524 Ca 0.02 -1.25 -0.08 0.00 -2.23 0.00 0.00 60.65 57.11 1xhx s ILE 524 Cb 0.02 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1xhx s ILE 524 CO -0.10 0.05 0.08 -0.75 -1.23 0.00 0.00 174.94 173.00 1xhx s LYS 525 N 1.27 3.92 0.08 2.79 2.20 0.52 -4.84 119.74 125.67 1xhx s LYS 525 Ca -0.03 -0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 55.01 1xhx s LYS 525 Cb -0.18 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1xhx s LYS 525 CO -0.03 0.36 0.86 0.12 -0.36 0.00 0.00 175.35 176.30 1xhx s PHE 526 N 0.14 3.78 -0.05 4.03 5.36 -1.26 0.92 117.98 130.89 1xhx s PHE 526 Ca 0.06 1.64 0.01 0.00 -0.96 0.00 0.00 56.93 57.68 1xhx s PHE 526 Cb -0.12 -2.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.65 1xhx s PHE 526 CO 0.00 0.25 -0.04 0.45 -1.46 0.00 0.00 175.22 174.41 1xhx s SER 527 N -0.06 1.17 -0.12 6.13 0.15 0.27 -4.95 113.70 116.30 1xhx s SER 527 Ca 0.43 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.91 1xhx s SER 527 Cb -0.22 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 1xhx s SER 527 CO 0.26 -0.07 -0.05 -0.69 1.20 0.00 0.00 173.24 173.89 1xhx s VAL 528 N 1.11 3.82 -0.21 4.45 1.01 -1.26 -1.53 120.40 127.79 1xhx s VAL 528 Ca -0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1xhx s VAL 528 Cb -0.14 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.67 1xhx s VAL 528 CO -0.01 0.54 0.00 -0.54 0.00 0.00 0.00 175.10 175.09 1xhx s LYS 529 N -0.11 1.01 -0.25 2.72 -0.14 0.22 -5.02 119.74 118.18 1xhx s LYS 529 Ca 0.02 -0.63 -0.04 0.00 -1.36 0.00 0.00 55.97 53.96 1xhx s LYS 529 Cb -0.13 -2.29 0.13 0.00 -1.68 0.00 0.00 37.83 33.86 1xhx s LYS 529 CO 0.03 -0.63 0.45 0.00 -0.76 0.00 0.00 175.35 174.44 1xhx n ALA 531 N 5.39 0.31 0.00 0.00 0.00 -0.90 -1.30 120.51 124.00 1xhx n ALA 531 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1xhx n ALA 531 Cb 0.50 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 4.06 3.15 3.77 0.00 0.00 -1.26 -5.05 105.19 109.86 1xhx n GLY 532 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.35 4.20 0.18 1.61 0.00 -0.42 -5.04 119.30 119.49 1xhx s MET 533 Ca 0.00 1.91 0.02 0.00 0.00 0.00 0.00 55.69 57.63 1xhx s MET 533 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 34.83 31.96 1xhx s MET 533 CO 0.00 -0.21 0.33 0.95 0.00 0.00 0.00 175.02 176.08 1xhx s THR 534 N -1.32 5.28 0.38 10.11 -4.23 -1.26 -4.93 115.64 119.66 1xhx s THR 534 Ca 0.53 -0.67 0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1xhx s THR 534 Cb -0.33 -3.77 0.34 0.00 1.34 0.00 0.00 72.50 70.08 1xhx s THR 534 CO 0.42 -0.17 1.87 0.44 -0.54 0.00 0.00 174.62 176.64 1xhx h ASP 535 N 1.89 0.57 -0.73 3.99 3.32 -1.99 0.17 116.42 123.64 1xhx h ASP 535 Ca -0.49 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1xhx h ASP 535 Cb 1.20 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1xhx h ASP 535 CO 0.67 0.27 0.28 0.50 -1.72 0.00 0.00 179.24 179.24 1xhx h LYS 536 N 0.59 1.11 -0.05 3.56 3.64 -1.96 -2.80 116.57 120.67 1xhx h LYS 536 Ca 0.45 -0.20 -0.24 0.00 -1.27 0.00 0.00 60.65 59.39 1xhx h LYS 536 Cb 0.85 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1xhx h LYS 536 CO -0.20 0.91 -0.91 0.82 -2.27 0.00 0.00 179.45 177.80 1xhx h ILE 537 N 1.09 1.32 -0.33 2.00 2.04 -1.14 -3.18 117.51 119.29 1xhx h ILE 537 Ca 0.25 -2.20 0.10 0.00 1.00 0.00 0.00 64.86 64.00 1xhx h ILE 537 Cb 0.23 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1xhx h ILE 537 CO -0.02 0.68 0.24 0.11 0.00 0.00 0.00 178.15 179.16 1xhx h LYS 538 N 0.39 0.00 0.00 2.37 1.57 -0.68 -0.76 116.57 119.46 1xhx h LYS 538 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xhx h LYS 538 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1xhx h LYS 538 CO 0.18 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.69 1xhx n LYS 539 N -4.41 0.70 -0.00 3.15 5.02 -1.07 -2.49 118.16 119.06 1xhx n LYS 539 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1xhx n LYS 539 Cb 0.42 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1xhx n LYS 539 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xhx n GLU 540 N -0.68 -0.55 -3.06 1.97 1.02 -0.29 -5.04 120.64 114.01 1xhx n GLU 540 Ca 0.06 -0.63 -0.35 0.00 -0.02 0.00 0.00 57.16 56.22 1xhx n GLU 540 Cb 0.03 -1.01 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.14 4.54 0.06 2.62 1.01 -1.04 -4.99 120.40 122.46 1xhx s VAL 541 Ca 0.01 1.28 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1xhx s VAL 541 Cb 0.01 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1xhx s VAL 541 CO 0.01 0.08 0.20 0.42 0.00 0.00 0.00 175.10 175.81 1xhx s THR 542 N -1.68 0.12 0.43 3.92 -4.23 -1.26 -4.97 115.64 107.97 1xhx s THR 542 Ca 0.47 -0.99 0.21 0.00 -1.18 0.00 0.00 61.69 60.20 1xhx s THR 542 Cb -0.15 -1.09 0.41 0.00 1.34 0.00 0.00 72.50 73.01 1xhx s THR 542 CO 0.20 -0.55 1.81 -0.26 -0.54 0.00 0.00 174.62 175.28 1xhx h PHE 543 N 3.13 0.51 0.18 3.99 -1.00 -1.98 1.11 116.94 122.87 1xhx h PHE 543 Ca -0.33 0.02 -0.30 0.00 2.81 0.00 0.00 57.97 60.17 1xhx h PHE 543 Cb 1.20 -0.15 0.02 0.00 3.61 0.00 0.00 35.95 40.62 1xhx h PHE 543 CO 0.46 0.08 -1.40 0.93 -1.61 0.00 0.00 178.31 176.77 1xhx h GLU 544 N 0.33 0.38 0.00 1.51 3.07 -2.02 -3.33 114.58 114.52 1xhx h GLU 544 Ca 0.53 -0.65 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 1xhx h GLU 544 Cb 1.47 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 29.61 1xhx h GLU 544 CO -0.20 1.31 -0.40 -0.97 -1.40 0.00 0.00 179.01 177.35 1xhx h ASN 545 N -0.08 0.00 -2.87 1.42 -1.24 -1.64 -3.41 115.58 107.75 1xhx h ASN 545 Ca -0.27 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.17 1xhx h ASN 545 Cb 1.94 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.90 1xhx h ASN 545 CO 0.17 0.40 0.85 0.12 -1.29 0.00 0.00 177.43 177.68 1xhx s PHE 546 N -3.84 2.56 0.02 0.67 5.36 0.37 -4.74 117.98 118.38 1xhx s PHE 546 Ca -0.01 0.04 -0.29 0.00 -0.96 0.00 0.00 56.93 55.71 1xhx s PHE 546 Cb 0.13 -4.42 0.10 0.00 -0.34 0.00 0.00 43.02 38.48 1xhx s PHE 546 CO 0.70 -1.69 0.96 -1.59 -1.46 0.00 0.00 175.22 172.14 1xhx s LYS 547 N 4.84 0.84 0.19 10.12 -2.85 -1.26 -4.91 119.74 126.71 1xhx s LYS 547 Ca 0.35 -0.37 -0.33 0.00 -1.00 0.00 0.00 55.97 54.62 1xhx s LYS 547 Cb -0.10 0.35 -0.14 0.00 -2.06 0.00 0.00 37.83 35.87 1xhx s LYS 547 CO 0.19 -0.37 1.40 0.28 0.10 0.00 0.00 175.35 176.95 1xhx n VAL 548 N -0.30 0.58 0.00 1.79 0.31 -1.26 -1.67 118.33 117.78 1xhx n VAL 548 Ca -0.07 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1xhx n VAL 548 Cb 0.61 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 2.50 2.52 3.72 2.92 0.00 0.07 -5.03 105.19 111.90 1xhx n GLY 549 Ca 0.14 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.71 2.00 -4.27 1.61 7.35 -0.67 -4.62 117.46 118.15 1xhx n PHE 550 Ca 0.00 0.66 -0.16 0.00 -0.76 0.00 0.00 57.45 57.20 1xhx n PHE 550 Cb 0.00 -2.41 -0.10 0.00 0.35 0.00 0.00 39.48 37.32 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 3.48 2.02 -0.29 -2.13 0.15 -1.26 -1.17 113.70 114.50 1xhx s SER 551 Ca 1.00 -0.99 -0.24 0.00 0.70 0.00 0.00 55.95 56.43 1xhx s SER 551 Cb -1.16 -0.05 0.16 0.00 -1.71 0.00 0.00 66.02 63.26 1xhx s SER 551 CO 0.69 -0.26 1.25 -0.60 1.20 0.00 0.00 173.24 175.52 1xhx s ARG 552 N -3.57 0.24 -1.17 5.44 3.52 -0.48 -4.99 118.95 117.94 1xhx s ARG 552 Ca 0.17 0.30 -0.10 0.00 -0.13 0.00 0.00 55.73 55.97 1xhx s ARG 552 Cb 0.01 0.11 0.23 0.00 -1.56 0.00 0.00 34.95 33.74 1xhx s ARG 552 CO 0.03 -0.03 1.33 1.63 -0.81 0.00 0.00 175.30 177.44 1xhx n LYS 553 N 2.08 3.56 0.00 5.12 5.02 -1.26 0.19 118.16 132.86 1xhx n LYS 553 Ca -0.12 -4.16 0.00 0.00 -2.02 0.00 0.00 58.31 52.01 1xhx n LYS 553 Cb 0.56 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1xhx n LYS 553 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xhx n MET 554 N 3.83 0.00 -3.08 1.97 2.81 -1.16 -4.77 117.12 116.73 1xhx n MET 554 Ca 0.30 -0.22 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 1xhx n MET 554 Cb 0.40 -0.43 -0.06 0.00 -0.71 0.00 0.00 33.22 32.42 1xhx n MET 554 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1xhx s LYS 555 N 0.00 3.21 0.29 0.03 2.20 -1.01 -4.85 119.74 119.61 1xhx s LYS 555 Ca 0.00 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 1xhx s LYS 555 Cb 0.00 -4.05 -0.11 0.00 -1.51 0.00 0.00 37.83 32.16 1xhx s LYS 555 CO 0.00 -1.22 1.58 -2.14 -0.36 0.00 0.00 175.35 173.21 1xhx s PRO 556 N 2.96 4.13 -0.02 4.03 0.02 -1.26 -1.17 135.00 143.69 1xhx s PRO 556 Ca 0.20 2.57 0.01 0.00 0.02 0.00 0.00 61.00 63.80 1xhx s PRO 556 Cb -0.16 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1xhx s PRO 556 CO 0.15 -0.62 -0.02 0.15 -0.33 0.00 0.00 177.00 176.33 1xhx s LYS 557 N -0.53 0.34 0.30 5.54 1.02 -0.78 -4.87 119.74 120.76 1xhx s LYS 557 Ca 0.63 -0.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.29 1xhx s LYS 557 Cb -0.47 -0.41 -0.12 0.00 -0.52 0.00 0.00 37.83 36.30 1xhx s LYS 557 CO 0.48 -0.03 1.40 -2.30 -0.92 0.00 0.00 175.35 173.99 1xhx n PRO 558 N 3.57 2.26 -3.57 -1.68 -0.02 -1.26 -1.53 135.00 132.76 1xhx n PRO 558 Ca -0.20 0.80 -0.16 0.00 -2.02 0.00 0.00 63.50 61.91 1xhx n PRO 558 Cb 0.54 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 1xhx n PRO 558 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xhx s VAL 559 N -0.57 -0.34 0.10 -1.45 1.01 -0.58 -4.91 120.40 113.66 1xhx s VAL 559 Ca 0.61 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.37 1xhx s VAL 559 Cb -0.57 -0.54 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 1xhx s VAL 559 CO 0.56 -0.04 1.53 -1.10 0.00 0.00 0.00 175.10 176.04 1xhx s GLN 560 N 2.35 4.24 0.11 2.72 -1.52 -1.26 -2.18 119.66 124.12 1xhx s GLN 560 Ca 0.05 2.22 -0.04 0.00 -1.95 0.00 0.00 55.36 55.64 1xhx s GLN 560 Cb -0.14 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.24 1xhx s GLN 560 CO -0.10 -0.60 0.10 0.14 -0.25 0.00 0.00 175.29 174.58 1xhx s VAL 561 N 1.80 0.13 -0.33 1.09 -7.23 -0.47 -4.78 120.40 110.61 1xhx s VAL 561 Ca 0.69 -1.67 -0.36 0.00 -1.81 0.00 0.00 61.98 58.83 1xhx s VAL 561 Cb -0.39 -1.77 -0.12 0.00 0.56 0.00 0.00 36.38 34.66 1xhx s VAL 561 CO 0.31 -0.60 2.13 -2.65 -0.31 0.00 0.00 175.10 173.98 1xhx n PRO 562 N -0.06 1.09 0.00 4.82 -0.02 -1.26 -1.24 135.00 138.32 1xhx n PRO 562 Ca -0.09 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1xhx n PRO 562 Cb 0.63 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 6.26 3.07 0.00 -1.23 0.00 -1.25 -4.26 105.19 107.77 1xhx n GLY 563 Ca 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.52 3.24 -0.02 0.00 -0.37 -4.29 105.19 103.23 1xhx n GLY 564 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 1.68 -0.01 1.61 1.01 -1.26 -1.37 120.40 122.06 1xhx s VAL 565 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1xhx s VAL 565 Cb 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1xhx s VAL 565 CO 0.00 0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.66 1xhx s VAL 566 N -0.67 0.58 -0.22 2.92 1.01 -0.93 -4.93 120.40 118.16 1xhx s VAL 566 Ca 0.08 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 1xhx s VAL 566 Cb -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1xhx s VAL 566 CO 0.01 0.18 0.63 -0.76 0.00 0.00 0.00 175.10 175.15 1xhx s LEU 567 N 0.01 4.12 -0.14 3.92 1.43 -1.26 -1.52 118.68 125.23 1xhx s LEU 567 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1xhx s LEU 567 Cb -0.05 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1xhx s LEU 567 CO -0.00 -0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 175.44 1xhx s VAL 568 N 2.09 2.82 -0.28 -1.59 1.01 -0.59 -4.75 120.40 119.11 1xhx s VAL 568 Ca 0.28 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 1xhx s VAL 568 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1xhx s VAL 568 CO 0.10 0.52 2.02 -1.81 0.00 0.00 0.00 175.10 175.93 1xhx s ASP 569 N 0.59 5.63 0.32 3.32 1.01 -1.26 -1.87 116.67 124.40 1xhx s ASP 569 Ca -0.09 1.57 0.07 0.00 0.71 0.00 0.00 52.55 54.81 1xhx s ASP 569 Cb -0.16 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 1xhx s ASP 569 CO 0.03 -1.88 0.32 -0.62 0.21 0.00 0.00 175.17 173.23 1xhx s ASP 570 N 7.37 5.53 0.14 0.27 -1.08 -0.32 -4.76 116.67 123.82 1xhx s ASP 570 Ca 0.90 -0.36 -0.31 0.00 -0.52 0.00 0.00 52.55 52.27 1xhx s ASP 570 Cb -0.27 -1.15 -0.08 0.00 -1.46 0.00 0.00 42.92 39.95 1xhx s ASP 570 CO 0.34 -0.30 1.38 -0.89 0.52 0.00 0.00 175.17 176.22 1xhx s THR 571 N -2.23 3.25 -0.16 1.71 2.01 -1.26 -2.41 115.64 116.55 1xhx s THR 571 Ca 0.40 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1xhx s THR 571 Cb -0.07 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1xhx s THR 571 CO 0.27 0.09 -0.17 0.12 -0.69 0.00 0.00 174.62 174.25 1xhx s PHE 572 N 0.85 2.78 0.00 4.92 5.36 0.13 -4.93 117.98 127.09 1xhx s PHE 572 Ca 0.63 -1.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 1xhx s PHE 572 Cb -0.37 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.40 1xhx s PHE 572 CO 0.32 -0.59 -0.08 0.99 -1.46 0.00 0.00 175.22 174.41 1xhx s THR 573 N 0.99 0.62 -0.41 0.12 2.01 -1.26 -1.39 115.64 116.33 1xhx s THR 573 Ca -0.02 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 1xhx s THR 573 Cb -0.15 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.84 1xhx s THR 573 CO -0.04 0.08 0.99 -0.63 -0.69 0.00 0.00 174.62 174.34 1xhx s ILE 574 N -0.38 4.46 -1.04 1.82 1.01 -0.31 -4.99 121.20 121.77 1xhx s ILE 574 Ca 0.01 1.16 0.08 0.00 0.00 0.00 0.00 60.65 61.91 1xhx s ILE 574 Cb -0.04 -4.43 0.07 0.00 0.01 0.00 0.00 42.46 38.06 1xhx s ILE 574 CO -0.00 -0.71 0.76 2.29 0.00 0.00 0.00 174.94 177.28