#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsj s LYS 2 N 0.00 4.34 -0.08 2.12 -0.14 -1.26 -4.89 119.74 119.82 1xsj s LYS 2 Ca 0.00 1.21 -0.07 0.00 -1.36 0.00 0.00 55.97 55.75 1xsj s LYS 2 Cb 0.00 -3.57 -0.04 0.00 -1.68 0.00 0.00 37.83 32.53 1xsj s LYS 2 CO 0.00 -0.37 -0.16 -0.89 -0.76 0.00 0.00 175.35 173.17 1xsj n ILE 3 N 4.77 0.97 -2.05 2.17 5.41 -1.26 -4.86 119.36 124.51 1xsj n ILE 3 Ca 0.07 0.02 -0.30 0.00 1.00 0.00 0.00 62.75 63.54 1xsj n ILE 3 Cb 0.48 -1.78 0.01 0.00 -0.71 0.00 0.00 39.64 37.64 1xsj n ILE 3 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xsj s SER 4 N -6.06 6.24 -0.60 4.38 1.04 -1.26 -1.03 113.70 116.42 1xsj s SER 4 Ca -0.16 1.31 0.04 0.00 0.48 0.00 0.00 55.95 57.63 1xsj s SER 4 Cb 0.05 -2.42 0.15 0.00 0.10 0.00 0.00 66.02 63.90 1xsj s SER 4 CO 0.21 -0.80 0.39 -0.62 0.98 0.00 0.00 173.24 173.40 1xsj s ASP 5 N -4.14 4.26 0.55 7.02 2.15 0.68 -4.39 116.67 122.80 1xsj s ASP 5 Ca 0.53 -3.42 0.00 0.00 0.43 0.00 0.00 52.55 50.09 1xsj s ASP 5 Cb -0.11 -1.47 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 1xsj s ASP 5 CO 0.52 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.97 1xsj n GLY 6 N 2.53 -1.45 0.14 2.66 0.00 -1.26 -2.96 105.19 104.86 1xsj n GLY 6 Ca 0.15 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1xsj n GLY 6 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xsj h ASN 7 N 0.00 0.00 0.07 1.61 -1.24 -1.96 -3.34 115.58 110.72 1xsj h ASN 7 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1xsj h ASN 7 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1xsj h ASN 7 CO 0.00 0.58 -1.94 0.79 -1.29 0.00 0.00 177.43 175.57 1xsj n TRP 8 N -3.61 0.07 -4.50 0.67 7.02 -1.26 -5.01 117.44 110.82 1xsj n TRP 8 Ca -0.00 0.02 -0.24 0.00 -1.02 0.00 0.00 57.50 56.26 1xsj n TRP 8 Cb 0.63 -0.55 -0.11 0.00 -2.42 0.00 0.00 31.31 28.87 1xsj n TRP 8 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xsj s LEU 9 N -4.61 2.51 0.06 -0.99 1.43 -1.15 -5.03 118.68 110.90 1xsj s LEU 9 Ca -0.08 -1.30 0.07 0.00 -1.03 0.00 0.00 54.13 51.80 1xsj s LEU 9 Cb 0.13 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 1xsj s LEU 9 CO 0.90 -0.44 -0.16 -0.63 0.23 0.00 0.00 176.35 176.25 1xsj s ILE 10 N -2.98 2.95 0.33 -0.59 1.01 -1.26 -0.23 121.20 120.42 1xsj s ILE 10 Ca 0.34 -1.22 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 1xsj s ILE 10 Cb 0.07 -2.28 -0.13 0.00 0.01 0.00 0.00 42.46 40.12 1xsj s ILE 10 CO 0.15 0.27 1.06 0.00 0.00 0.00 0.00 174.94 176.43 1xsj n GLN 11 N 1.31 1.51 -1.71 2.79 1.13 -0.20 -4.53 117.38 117.68 1xsj n GLN 11 Ca -0.16 0.53 -0.43 0.00 -1.94 0.00 0.00 57.00 55.00 1xsj n GLN 11 Cb 0.52 -1.98 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 1xsj n GLN 11 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1xsj n PRO 12 N 0.57 2.49 -0.26 -1.09 -0.02 -1.26 -2.65 135.00 132.78 1xsj n PRO 12 Ca 0.08 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1xsj n PRO 12 Cb 0.34 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1xsj n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsj n GLY 13 N 2.94 1.31 3.74 -1.23 0.00 -1.26 -4.87 105.19 105.81 1xsj n GLY 13 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1xsj n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 14 N 0.00 4.29 -0.17 0.99 1.43 -1.08 -0.86 118.68 123.28 1xsj s LEU 14 Ca 0.00 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 53.83 1xsj s LEU 14 Cb 0.00 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1xsj s LEU 14 CO 0.00 0.06 -0.03 0.20 0.23 0.00 0.00 176.35 176.81 1xsj s ASN 15 N 0.38 4.73 -0.02 2.29 0.02 0.06 -4.90 114.94 117.51 1xsj s ASN 15 Ca 0.24 -0.18 0.02 0.00 -1.02 0.00 0.00 52.86 51.92 1xsj s ASN 15 Cb -0.15 -1.78 -0.03 0.00 0.02 0.00 0.00 41.25 39.30 1xsj s ASN 15 CO 0.09 0.12 -0.06 -0.76 0.02 0.00 0.00 177.10 176.52 1xsj s LEU 16 N 0.66 3.22 0.06 0.60 1.43 -1.26 -1.29 118.68 122.10 1xsj s LEU 16 Ca -0.02 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1xsj s LEU 16 Cb -0.14 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1xsj s LEU 16 CO 0.02 0.31 -0.10 0.27 0.23 0.00 0.00 176.35 177.08 1xsj s ILE 17 N -0.96 0.75 0.01 -0.59 -4.36 -0.73 -5.01 121.20 110.31 1xsj s ILE 17 Ca 0.16 -1.21 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1xsj s ILE 17 Cb -0.11 -0.83 -0.01 0.00 1.25 0.00 0.00 42.46 42.76 1xsj s ILE 17 CO 0.06 -0.36 -0.03 -1.00 0.24 0.00 0.00 174.94 173.85 1xsj s HIS 18 N -1.48 0.29 -0.32 1.37 3.76 -1.26 -0.95 115.29 116.71 1xsj s HIS 18 Ca -0.06 -0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 1xsj s HIS 18 Cb -0.09 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.40 1xsj s HIS 18 CO 0.01 -0.06 1.57 -1.25 -0.85 0.00 0.00 174.74 174.15 1xsj s PRO 19 N -0.65 3.61 -0.00 8.40 0.04 -1.26 -3.71 135.00 141.43 1xsj s PRO 19 Ca -0.05 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.35 1xsj s PRO 19 Cb -0.05 -4.06 -0.06 0.00 0.04 0.00 0.00 34.50 30.38 1xsj s PRO 19 CO -0.00 -1.51 0.12 1.28 0.04 0.00 0.00 177.00 176.92 1xsj n LEU 20 N 8.97 0.06 -3.68 -3.56 4.77 0.12 -4.63 117.00 119.05 1xsj n LEU 20 Ca 0.19 -0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1xsj n LEU 20 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1xsj n LEU 20 CO 0.67 0.02 0.04 -1.58 -1.33 0.00 0.00 177.39 175.21 1xsj s GLN 21 N -2.01 0.37 0.09 3.23 0.74 -0.61 -4.22 119.66 117.25 1xsj s GLN 21 Ca -0.01 0.86 -0.31 0.00 0.05 0.00 0.00 55.36 55.95 1xsj s GLN 21 Cb 0.03 0.07 -0.09 0.00 1.10 0.00 0.00 33.01 34.13 1xsj s GLN 21 CO 0.17 -0.19 1.63 0.08 -0.55 0.00 0.00 175.29 176.44 1xsj s VAL 22 N 1.77 2.94 -0.26 1.34 1.01 -1.26 -0.39 120.40 125.55 1xsj s VAL 22 Ca -0.07 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 1xsj s VAL 22 Cb -0.09 -3.31 -0.16 0.00 0.00 0.00 0.00 36.38 32.82 1xsj s VAL 22 CO -0.13 0.01 -0.26 0.33 0.00 0.00 0.00 175.10 175.06 1xsj n PHE 23 N 5.21 0.01 -3.60 5.22 7.35 0.13 -4.77 117.46 127.02 1xsj n PHE 23 Ca 0.15 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.68 1xsj n PHE 23 Cb 0.40 -1.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.16 1xsj n PHE 23 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xsj s GLU 24 N -2.52 0.91 -0.03 -4.13 2.12 -1.16 -5.00 118.70 108.90 1xsj s GLU 24 Ca -0.36 0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.32 1xsj s GLU 24 Cb 0.10 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.91 1xsj s GLU 24 CO 0.58 -0.25 -0.19 0.08 -0.54 0.00 0.00 175.26 174.94 1xsj s VAL 25 N -0.90 1.53 0.00 3.70 1.01 -1.26 -0.72 120.40 123.76 1xsj s VAL 25 Ca -0.09 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1xsj s VAL 25 Cb -0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1xsj s VAL 25 CO 0.07 0.43 -0.05 -0.70 0.00 0.00 0.00 175.10 174.86 1xsj s GLU 26 N -0.22 0.36 -0.20 2.72 2.12 -0.45 -5.01 118.70 118.03 1xsj s GLU 26 Ca 0.02 -0.25 -0.09 0.00 0.36 0.00 0.00 54.97 55.00 1xsj s GLU 26 Cb -0.10 -0.31 -0.05 0.00 0.26 0.00 0.00 34.13 33.94 1xsj s GLU 26 CO 0.01 0.08 0.11 -1.14 -0.54 0.00 0.00 175.26 173.78 1xsj s GLN 27 N -0.36 4.07 -0.35 4.30 0.74 -1.26 -0.61 119.66 126.18 1xsj s GLN 27 Ca -0.01 -0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.14 1xsj s GLN 27 Cb -0.03 -3.37 0.10 0.00 1.10 0.00 0.00 33.01 30.81 1xsj s GLN 27 CO -0.00 0.22 0.08 -0.65 -0.55 0.00 0.00 175.29 174.40 1xsj s GLN 28 N 0.55 1.63 7.05 1.67 -0.21 -0.67 -4.99 119.66 124.67 1xsj s GLN 28 Ca 0.06 -1.85 0.00 0.00 0.02 0.00 0.00 55.36 53.59 1xsj s GLN 28 Cb -0.12 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.60 1xsj s GLN 28 CO 0.00 -0.96 0.00 -3.47 -2.12 0.00 0.00 175.29 168.74 1xsj n ASP 29 N 4.34 0.00 -2.03 5.90 4.64 -1.26 -1.47 116.55 126.67 1xsj n ASP 29 Ca 0.02 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.31 1xsj n ASP 29 Cb 0.42 0.00 0.25 0.00 -1.04 0.00 0.00 41.12 40.75 1xsj n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1xsj n ASN 30 N 9.14 4.36 -4.20 1.67 6.94 -1.26 -4.94 115.26 126.97 1xsj n ASN 30 Ca 0.00 -3.27 -0.20 0.00 -0.02 0.00 0.00 54.58 51.09 1xsj n ASN 30 Cb 0.00 -0.77 -0.12 0.00 -2.36 0.00 0.00 39.78 36.53 1xsj n ASN 30 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xsj s GLU 31 N -2.93 0.89 -0.17 -3.83 2.02 -0.54 -4.68 118.70 109.46 1xsj s GLU 31 Ca 0.53 -1.00 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 1xsj s GLU 31 Cb 0.43 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.69 1xsj s GLU 31 CO 0.12 0.21 -0.08 1.41 0.02 0.00 0.00 175.26 176.94 1xsj s MET 32 N -1.78 3.42 -0.12 1.61 -2.45 -0.63 -1.68 119.30 117.67 1xsj s MET 32 Ca -0.00 -0.63 -0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1xsj s MET 32 Cb -0.10 -2.83 -0.03 0.00 1.25 0.00 0.00 34.83 33.12 1xsj s MET 32 CO 0.03 0.04 -0.03 0.08 1.05 0.00 0.00 175.02 176.19 1xsj s VAL 33 N 0.84 4.01 -0.12 10.11 1.01 0.22 -0.29 120.40 136.17 1xsj s VAL 33 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xsj s VAL 33 Cb -0.15 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1xsj s VAL 33 CO 0.01 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.80 1xsj s VAL 34 N -0.19 1.62 -0.23 2.92 1.01 0.14 -1.34 120.40 124.33 1xsj s VAL 34 Ca 0.04 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1xsj s VAL 34 Cb -0.13 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1xsj s VAL 34 CO 0.02 0.46 0.28 -0.31 0.00 0.00 0.00 175.10 175.55 1xsj s TYR 35 N 1.00 3.32 -0.05 5.22 2.02 0.10 -0.97 117.35 128.00 1xsj s TYR 35 Ca -0.06 0.38 0.03 0.00 -0.37 0.00 0.00 57.07 57.06 1xsj s TYR 35 Cb -0.15 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 1xsj s TYR 35 CO -0.03 -0.02 -0.15 0.00 -1.57 0.00 0.00 175.55 173.79 1xsj s ALA 36 N 1.33 1.39 0.15 3.71 0.00 -0.41 0.22 121.76 128.15 1xsj s ALA 36 Ca 0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 1xsj s ALA 36 Cb -0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1xsj s ALA 36 CO 0.07 0.21 0.36 0.00 0.00 0.00 0.00 175.76 176.40 1xsj s ALA 37 N 0.24 3.83 -2.02 0.00 0.00 0.48 -0.91 121.76 123.38 1xsj s ALA 37 Ca -0.07 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.31 1xsj s ALA 37 Cb -0.13 -2.05 0.30 0.00 0.00 0.00 0.00 23.12 21.24 1xsj s ALA 37 CO 0.03 0.63 1.24 -0.35 0.00 0.00 0.00 175.76 177.31 1xsj n PRO 38 N -0.08 1.60 -3.83 0.00 -0.04 -1.24 -0.70 135.00 130.71 1xsj n PRO 38 Ca -0.03 -0.94 -0.09 0.00 -0.04 0.00 0.00 63.50 62.40 1xsj n PRO 38 Cb 0.52 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.77 1xsj n PRO 38 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1xsj s ARG 39 N -1.67 2.16 -0.23 0.54 1.70 -1.26 -4.75 118.95 115.44 1xsj s ARG 39 Ca 0.19 -1.39 -0.29 0.00 -0.47 0.00 0.00 55.73 53.77 1xsj s ARG 39 Cb 0.10 0.62 -0.03 0.00 -0.57 0.00 0.00 34.95 35.07 1xsj s ARG 39 CO 0.13 -1.00 1.61 0.34 -1.08 0.00 0.00 175.30 175.30 1xsj s ASP 40 N -3.06 6.38 -0.16 -2.89 2.15 -1.26 -4.70 116.67 113.12 1xsj s ASP 40 Ca 0.16 1.60 0.14 0.00 0.43 0.00 0.00 52.55 54.87 1xsj s ASP 40 Cb -0.05 -2.53 0.42 0.00 -0.30 0.00 0.00 42.92 40.45 1xsj s ASP 40 CO 0.11 -1.26 1.21 1.33 -0.17 0.00 0.00 175.17 176.38 1xsj n VAL 41 N 6.43 1.75 0.03 1.11 0.24 -1.26 -4.74 118.33 121.88 1xsj n VAL 41 Ca 0.19 -2.76 -0.03 0.00 -2.04 0.00 0.00 64.34 59.70 1xsj n VAL 41 Cb 0.45 0.01 0.21 0.00 -1.47 0.00 0.00 33.84 33.04 1xsj n VAL 41 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1xsj h ARG 42 N 0.97 0.43 -6.17 7.34 3.08 -1.95 -3.44 114.38 114.63 1xsj h ARG 42 Ca -0.05 -0.17 -0.56 0.00 0.07 0.00 0.00 59.98 59.27 1xsj h ARG 42 Cb 1.18 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.16 1xsj h ARG 42 CO 0.02 0.67 0.02 -1.21 -1.07 0.00 0.00 179.97 178.40 1xsj s GLU 43 N -4.43 4.33 0.45 0.04 2.02 -1.26 -4.99 118.70 114.86 1xsj s GLU 43 Ca -0.06 0.81 0.18 0.00 0.02 0.00 0.00 54.97 55.91 1xsj s GLU 43 Cb 0.14 -3.32 1.12 0.00 0.10 0.00 0.00 34.13 32.17 1xsj s GLU 43 CO 0.79 0.43 1.93 0.00 0.02 0.00 0.00 175.26 178.43 1xsj h ARG 44 N 5.30 0.32 -0.08 1.61 3.08 -1.98 -1.26 114.38 121.38 1xsj h ARG 44 Ca -0.46 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.59 1xsj h ARG 44 Cb 1.20 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1xsj h ARG 44 CO 0.68 0.21 0.16 0.00 -1.07 0.00 0.00 179.97 179.95 1xsj h THR 45 N 0.33 0.24 -0.02 2.04 1.03 -1.96 -1.08 112.91 113.50 1xsj h THR 45 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 1xsj h THR 45 Cb 0.90 0.86 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 1xsj h THR 45 CO -0.10 0.00 -0.27 0.79 -0.01 0.00 0.00 175.52 175.94 1xsj n TRP 46 N -3.40 0.00 -1.26 0.00 7.02 -0.48 -4.56 117.44 114.76 1xsj n TRP 46 Ca -0.01 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.26 1xsj n TRP 46 Cb 0.25 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.06 1xsj n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xsj n GLN 47 N 0.57 2.18 -3.62 -0.99 6.02 -0.41 -4.76 117.38 116.37 1xsj n GLN 47 Ca 0.11 -1.81 -0.04 0.00 -0.01 0.00 0.00 57.00 55.26 1xsj n GLN 47 Cb 0.52 -2.01 -0.01 0.00 1.02 0.00 0.00 30.24 29.76 1xsj n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsj s LEU 48 N -1.46 -0.19 -1.39 1.08 2.34 -1.26 -5.00 118.68 112.81 1xsj s LEU 48 Ca 0.56 -0.14 -0.06 0.00 0.06 0.00 0.00 54.13 54.55 1xsj s LEU 48 Cb 0.34 1.76 0.03 0.00 -0.56 0.00 0.00 46.19 47.76 1xsj s LEU 48 CO -0.13 -0.53 0.89 0.47 -1.06 0.00 0.00 176.35 175.99 1xsj n ASP 49 N -0.33 -3.21 -3.78 1.48 8.00 -1.26 -5.01 116.55 112.45 1xsj n ASP 49 Ca -0.06 -0.76 -0.13 0.00 0.71 0.00 0.00 54.79 54.56 1xsj n ASP 49 Cb 0.61 -4.19 -0.10 0.00 -0.02 0.00 0.00 41.12 37.42 1xsj n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xsj s THR 50 N -3.47 0.03 0.99 -3.53 -1.32 -1.26 -5.16 115.64 101.92 1xsj s THR 50 Ca 0.32 -0.27 -0.12 0.00 -1.21 0.00 0.00 61.69 60.42 1xsj s THR 50 Cb -0.16 -0.51 0.18 0.00 -1.51 0.00 0.00 72.50 70.51 1xsj s THR 50 CO 0.80 -0.15 1.08 -2.84 -2.21 0.00 0.00 174.62 171.31 1xsj s PRO 51 N -0.61 0.51 -0.12 7.08 0.02 -1.26 -5.08 135.00 135.56 1xsj s PRO 51 Ca -0.07 0.87 -0.07 0.00 0.02 0.00 0.00 61.00 61.76 1xsj s PRO 51 Cb -0.04 -1.72 0.04 0.00 0.02 0.00 0.00 34.50 32.81 1xsj s PRO 51 CO 0.02 -2.77 0.28 -1.17 -0.33 0.00 0.00 177.00 173.03 1xsj s LEU 52 N -6.57 0.43 0.10 -5.54 2.96 -1.26 -4.35 118.68 104.44 1xsj s LEU 52 Ca 0.65 0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 54.98 1xsj s LEU 52 Cb -0.21 0.88 -0.07 0.00 0.50 0.00 0.00 46.19 47.30 1xsj s LEU 52 CO 0.59 -0.16 0.56 -0.36 -1.32 0.00 0.00 176.35 175.66 1xsj s PHE 53 N 1.07 3.73 -0.26 5.38 0.40 -0.08 -4.79 117.98 123.44 1xsj s PHE 53 Ca -0.08 1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 57.42 1xsj s PHE 53 Cb -0.08 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 41.01 1xsj s PHE 53 CO -0.08 0.53 -0.03 0.99 0.70 0.00 0.00 175.22 177.34 1xsj s THR 54 N -1.24 3.16 -0.22 0.64 2.01 -0.54 -1.29 115.64 118.16 1xsj s THR 54 Ca 0.32 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 1xsj s THR 54 Cb -0.18 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1xsj s THR 54 CO 0.19 0.20 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.53 1xsj s LEU 55 N 1.38 3.00 -0.14 4.42 1.02 -0.14 -0.82 118.68 127.39 1xsj s LEU 55 Ca 0.01 -0.35 -0.00 0.00 0.02 0.00 0.00 54.13 53.81 1xsj s LEU 55 Cb -0.16 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1xsj s LEU 55 CO -0.03 -0.02 -0.14 -0.60 0.02 0.00 0.00 176.35 175.59 1xsj s ARG 56 N 1.46 3.31 -0.10 1.70 3.52 -0.20 0.25 118.95 128.89 1xsj s ARG 56 Ca 0.05 -0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1xsj s ARG 56 Cb -0.14 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1xsj s ARG 56 CO -0.02 0.11 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.44 1xsj s PHE 57 N 0.61 2.91 0.21 5.12 0.08 0.60 -1.34 117.98 126.17 1xsj s PHE 57 Ca -0.08 -0.20 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 1xsj s PHE 57 Cb -0.16 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.51 1xsj s PHE 57 CO 0.03 0.12 0.47 -0.59 -0.10 0.00 0.00 175.22 175.15 1xsj s PHE 58 N -0.28 0.13 -0.12 0.36 -0.71 -0.48 -1.61 117.98 115.27 1xsj s PHE 58 Ca 0.04 -0.49 -0.01 0.00 -1.04 0.00 0.00 56.93 55.42 1xsj s PHE 58 Cb -0.13 0.25 0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1xsj s PHE 58 CO 0.03 -0.92 -0.05 0.45 -1.34 0.00 0.00 175.22 173.39 1xsj s SER 59 N -2.94 2.29 0.30 1.98 0.15 -1.26 0.11 113.70 114.33 1xsj s SER 59 Ca 0.15 -0.39 0.23 0.00 0.70 0.00 0.00 55.95 56.64 1xsj s SER 59 Cb -0.00 -0.77 0.28 0.00 -1.71 0.00 0.00 66.02 63.82 1xsj s SER 59 CO 0.02 -0.16 1.41 1.55 1.20 0.00 0.00 173.24 177.25 1xsj h PRO 60 N 8.19 0.00 -2.28 5.44 0.13 -1.84 -3.43 132.00 138.21 1xsj h PRO 60 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 1xsj h PRO 60 Cb 1.12 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.06 1xsj h PRO 60 CO 0.37 0.00 0.06 -0.65 -0.23 0.00 0.00 178.00 177.55 1xsj s GLN 61 N -3.24 0.93 0.10 0.86 -1.52 -1.26 -1.43 119.66 114.09 1xsj s GLN 61 Ca 0.05 0.21 -0.36 0.00 -1.95 0.00 0.00 55.36 53.31 1xsj s GLN 61 Cb 0.08 0.44 -0.17 0.00 -0.22 0.00 0.00 33.01 33.14 1xsj s GLN 61 CO 0.71 -0.27 1.22 -1.91 -0.25 0.00 0.00 175.29 174.79 1xsj n GLU 62 N 1.18 0.91 -1.19 2.91 0.00 -1.26 -1.77 120.64 121.42 1xsj n GLU 62 Ca -0.19 0.33 -0.07 0.00 0.00 0.00 0.00 57.16 57.23 1xsj n GLU 62 Cb 0.57 -1.89 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1xsj n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsj n GLY 63 N 2.20 0.87 3.02 8.31 0.00 -1.24 -4.94 105.19 113.42 1xsj n GLY 63 Ca 0.18 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 1xsj n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsj s ILE 64 N -2.18 1.34 -0.20 -0.61 1.01 -0.73 -1.47 121.20 118.36 1xsj s ILE 64 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1xsj s ILE 64 Cb 0.00 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1xsj s ILE 64 CO 0.00 0.41 -0.05 -0.69 0.00 0.00 0.00 174.94 174.61 1xsj s VAL 65 N 1.09 3.45 0.01 2.92 1.01 -0.30 -4.11 120.40 124.47 1xsj s VAL 65 Ca -0.05 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1xsj s VAL 65 Cb -0.14 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1xsj s VAL 65 CO -0.02 0.44 0.55 -0.83 0.00 0.00 0.00 175.10 175.23 1xsj s GLY 66 N 1.22 2.59 -0.18 4.51 0.00 0.29 -1.24 107.32 114.50 1xsj s GLY 66 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1xsj s GLY 66 CO -0.01 0.58 -0.08 0.14 0.00 0.00 0.00 173.10 173.73 1xsj s VAL 67 N -0.50 1.37 -0.21 1.40 1.01 -0.01 -1.38 120.40 122.09 1xsj s VAL 67 Ca 0.29 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1xsj s VAL 67 Cb -0.18 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1xsj s VAL 67 CO 0.16 0.16 -0.08 -0.60 0.00 0.00 0.00 175.10 174.75 1xsj s ARG 68 N 1.52 3.31 -0.15 2.72 3.52 -0.45 -1.20 118.95 128.21 1xsj s ARG 68 Ca -0.00 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1xsj s ARG 68 Cb -0.16 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1xsj s ARG 68 CO -0.08 -0.18 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.55 1xsj s ILE 69 N 1.39 2.38 -0.01 4.11 1.10 0.12 -1.03 121.20 129.26 1xsj s ILE 69 Ca 0.05 -0.87 0.05 0.00 -0.51 0.00 0.00 60.65 59.37 1xsj s ILE 69 Cb -0.14 -1.98 -0.01 0.00 0.15 0.00 0.00 42.46 40.47 1xsj s ILE 69 CO -0.05 0.53 -0.16 -1.61 -2.11 0.00 0.00 174.94 171.54 1xsj s GLU 70 N 0.83 1.30 0.00 3.50 2.02 -0.00 -0.51 118.70 125.83 1xsj s GLU 70 Ca -0.06 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1xsj s GLU 70 Cb -0.15 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 32.81 1xsj s GLU 70 CO -0.01 0.34 0.00 1.58 0.02 0.00 0.00 175.26 177.19 1xsj n HIS 71 N 2.58 0.00 -3.22 1.61 -0.00 0.39 -1.47 115.22 115.11 1xsj n HIS 71 Ca -0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.18 1xsj n HIS 71 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.48 1xsj n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1xsj s PHE 72 N 0.43 3.75 -0.91 1.57 0.08 -1.25 -4.80 117.98 116.85 1xsj s PHE 72 Ca 0.00 1.27 0.22 0.00 0.12 0.00 0.00 56.93 58.54 1xsj s PHE 72 Cb 0.00 -2.58 -0.07 0.00 -0.57 0.00 0.00 43.02 39.80 1xsj s PHE 72 CO 0.00 0.47 0.98 1.04 -0.10 0.00 0.00 175.22 177.61 1xsj n GLN 73 N 2.21 0.06 0.00 0.44 6.02 -1.26 -4.34 117.38 120.51 1xsj n GLN 73 Ca -0.08 -0.01 0.16 0.00 -0.01 0.00 0.00 57.00 57.05 1xsj n GLN 73 Cb 0.51 -1.51 0.86 0.00 1.02 0.00 0.00 30.24 31.12 1xsj n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsj n GLY 74 N 1.47 -0.86 3.65 1.08 0.00 -1.26 -4.90 105.19 104.37 1xsj n GLY 74 Ca 0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1xsj n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj s ALA 75 N -2.05 1.15 0.08 4.61 0.00 -1.26 -4.98 121.76 119.30 1xsj s ALA 75 Ca 0.45 0.23 -0.34 0.00 0.00 0.00 0.00 51.96 52.29 1xsj s ALA 75 Cb 0.22 -3.32 -0.18 0.00 0.00 0.00 0.00 23.12 19.84 1xsj s ALA 75 CO 0.37 -2.78 1.60 -0.07 0.00 0.00 0.00 175.76 174.88 1xsj h LEU 76 N -1.87 -1.01 -2.52 0.00 3.38 -1.98 -3.48 115.31 107.81 1xsj h LEU 76 Ca -0.49 0.06 -0.32 0.00 0.09 0.00 0.00 57.88 57.22 1xsj h LEU 76 Cb 1.28 0.30 0.16 0.00 0.09 0.00 0.00 40.66 42.48 1xsj h LEU 76 CO 0.48 -0.63 -0.87 0.59 0.09 0.00 0.00 178.44 178.10 1xsj n ASN 77 N -5.54 -5.45 -4.88 -0.43 5.03 -1.26 -5.03 115.26 97.69 1xsj n ASN 77 Ca -0.13 -0.79 -0.30 0.00 0.87 0.00 0.00 54.58 54.23 1xsj n ASN 77 Cb 0.43 -4.64 -0.00 0.00 -1.02 0.00 0.00 39.78 34.55 1xsj n ASN 77 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xsj s ASN 78 N -3.57 6.29 1.05 6.41 0.01 -1.26 -5.10 114.94 118.76 1xsj s ASN 78 Ca 0.39 1.21 -0.06 0.00 -0.71 0.00 0.00 52.86 53.69 1xsj s ASN 78 Cb -0.08 -2.37 0.08 0.00 0.41 0.00 0.00 41.25 39.29 1xsj s ASN 78 CO 0.78 -0.70 0.36 0.61 -1.51 0.00 0.00 177.10 176.64 1xsj n GLY 79 N -2.38 -2.05 3.85 0.66 0.00 -1.26 -4.60 105.19 99.41 1xsj n GLY 79 Ca 0.04 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1xsj n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsj s PRO 80 N -3.81 3.34 0.19 1.61 0.04 -1.26 -1.09 135.00 134.02 1xsj s PRO 80 Ca 0.22 0.83 0.09 0.00 0.04 0.00 0.00 61.00 62.18 1xsj s PRO 80 Cb -0.02 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1xsj s PRO 80 CO 0.16 -0.77 -0.10 -1.01 0.04 0.00 0.00 177.00 175.32 1xsj s HIS 81 N -3.13 2.61 0.44 0.56 3.76 -1.26 -4.81 115.29 113.46 1xsj s HIS 81 Ca 0.56 -0.23 -0.25 0.00 -0.15 0.00 0.00 55.06 54.99 1xsj s HIS 81 Cb -0.12 -1.26 -0.09 0.00 1.11 0.00 0.00 32.58 32.22 1xsj s HIS 81 CO 0.54 0.53 1.24 0.66 -0.85 0.00 0.00 174.74 176.86 1xsj n TYR 82 N -0.04 1.98 -1.77 1.40 4.01 -1.26 -4.87 117.16 116.60 1xsj n TYR 82 Ca -0.10 0.50 -0.41 0.00 -0.16 0.00 0.00 57.90 57.72 1xsj n TYR 82 Cb 0.56 -2.35 -0.01 0.00 -0.31 0.00 0.00 39.34 37.24 1xsj n TYR 82 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xsj n PRO 83 N -0.10 3.28 -2.95 -0.72 -0.04 -1.26 -4.94 135.00 128.27 1xsj n PRO 83 Ca 0.08 -2.74 -0.40 0.00 -0.04 0.00 0.00 63.50 60.39 1xsj n PRO 83 Cb 0.40 -3.08 -0.05 0.00 -0.04 0.00 0.00 33.50 30.74 1xsj n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsj s LEU 84 N 1.06 4.47 -0.64 1.53 1.02 -1.26 -4.76 118.68 120.11 1xsj s LEU 84 Ca 0.51 1.52 -0.26 0.00 0.02 0.00 0.00 54.13 55.92 1xsj s LEU 84 Cb 0.14 -3.28 0.04 0.00 0.02 0.00 0.00 46.19 43.11 1xsj s LEU 84 CO -0.07 0.03 1.11 0.20 0.02 0.00 0.00 176.35 177.64 1xsj s ASN 85 N -0.18 6.28 -0.35 2.29 0.01 0.04 -5.00 114.94 118.03 1xsj s ASN 85 Ca 0.39 -0.41 -0.07 0.00 -0.71 0.00 0.00 52.86 52.06 1xsj s ASN 85 Cb -0.21 -2.50 0.04 0.00 0.41 0.00 0.00 41.25 38.99 1xsj s ASN 85 CO 0.24 -1.51 0.14 -0.63 -1.51 0.00 0.00 177.10 173.83 1xsj s ILE 86 N 4.74 3.94 0.48 0.60 1.01 -1.26 -4.81 121.20 125.90 1xsj s ILE 86 Ca 0.33 -1.13 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 1xsj s ILE 86 Cb -0.11 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 1xsj s ILE 86 CO 0.18 -0.23 1.06 -0.76 0.00 0.00 0.00 174.94 175.19 1xsj s LEU 87 N 1.42 3.87 -0.04 2.97 1.43 -0.52 -5.01 118.68 122.80 1xsj s LEU 87 Ca -0.00 2.00 0.18 0.00 -1.03 0.00 0.00 54.13 55.28 1xsj s LEU 87 Cb -0.20 -4.51 -0.22 0.00 0.03 0.00 0.00 46.19 41.29 1xsj s LEU 87 CO 0.03 -0.83 0.50 0.00 0.23 0.00 0.00 176.35 176.28 1xsj n GLN 88 N -0.90 0.65 -2.54 1.70 1.13 -1.26 -4.58 117.38 111.58 1xsj n GLN 88 Ca 0.09 0.04 -0.19 0.00 -1.94 0.00 0.00 57.00 55.00 1xsj n GLN 88 Cb 0.52 -1.64 0.01 0.00 0.11 0.00 0.00 30.24 29.24 1xsj n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsj n ASP 89 N -2.69 3.37 -4.72 1.08 5.75 -1.26 -5.04 116.55 113.04 1xsj n ASP 89 Ca -0.16 -3.28 -0.43 0.00 -0.01 0.00 0.00 54.79 50.92 1xsj n ASP 89 Cb 0.88 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 1xsj n ASP 89 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1xsj n VAL 90 N -0.33 0.22 -2.22 2.12 0.31 -1.26 -4.92 118.33 112.25 1xsj n VAL 90 Ca 0.27 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 64.12 1xsj n VAL 90 Cb 0.74 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.74 1xsj n VAL 90 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1xsj s LYS 91 N 0.77 4.28 0.10 5.55 2.20 -1.26 -5.01 119.74 126.37 1xsj s LYS 91 Ca 0.73 1.97 0.02 0.00 -0.36 0.00 0.00 55.97 58.34 1xsj s LYS 91 Cb -0.53 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 1xsj s LYS 91 CO 0.37 -0.59 -0.08 0.14 -0.36 0.00 0.00 175.35 174.83 1xsj s VAL 92 N 2.49 0.79 -0.12 4.02 -7.23 -1.26 -4.47 120.40 114.62 1xsj s VAL 92 Ca 0.64 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1xsj s VAL 92 Cb -0.31 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1xsj s VAL 92 CO 0.26 -0.79 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.20 1xsj s THR 93 N -3.33 2.69 -0.19 5.32 2.01 -0.63 -4.99 115.64 116.52 1xsj s THR 93 Ca 0.11 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1xsj s THR 93 Cb 0.03 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.48 1xsj s THR 93 CO -0.03 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.63 1xsj s ILE 94 N 0.30 2.02 -0.16 1.82 1.01 -1.26 -0.20 121.20 124.72 1xsj s ILE 94 Ca -0.13 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.52 1xsj s ILE 94 Cb -0.16 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1xsj s ILE 94 CO 0.07 0.44 -0.18 -1.61 0.00 0.00 0.00 174.94 173.65 1xsj s GLU 95 N 1.28 3.09 -0.32 2.79 2.02 -0.17 -4.99 118.70 122.41 1xsj s GLU 95 Ca 0.03 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1xsj s GLU 95 Cb -0.14 -2.56 0.09 0.00 0.10 0.00 0.00 34.13 31.62 1xsj s GLU 95 CO -0.12 -0.07 0.01 1.21 0.02 0.00 0.00 175.26 176.32 1xsj s ASN 96 N 0.98 4.63 0.24 -0.19 2.47 -1.26 -0.45 114.94 121.36 1xsj s ASN 96 Ca -0.03 -1.92 0.01 0.00 0.42 0.00 0.00 52.86 51.34 1xsj s ASN 96 Cb -0.15 -1.57 0.01 0.00 -1.45 0.00 0.00 41.25 38.09 1xsj s ASN 96 CO -0.04 -0.33 0.07 0.35 -3.72 0.00 0.00 177.10 173.42 1xsj n THR 97 N 4.33 0.00 0.11 -5.21 -2.24 -0.04 -5.03 114.28 106.20 1xsj n THR 97 Ca -0.01 -1.04 0.01 0.00 -2.27 0.00 0.00 64.05 60.73 1xsj n THR 97 Cb 0.42 0.03 0.33 0.00 -2.10 0.00 0.00 70.33 69.02 1xsj n THR 97 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xsj h GLU 98 N 0.00 0.23 0.00 -0.78 4.57 -2.03 -3.31 114.58 113.26 1xsj h GLU 98 Ca -0.18 -0.07 -0.36 0.00 -1.18 0.00 0.00 59.36 57.57 1xsj h GLU 98 Cb 0.57 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 1xsj h GLU 98 CO 0.29 0.46 -2.26 -2.13 -1.18 0.00 0.00 179.01 174.19 1xsj n ARG 99 N -4.18 0.68 -3.91 1.92 0.63 -1.26 -4.76 116.66 105.77 1xsj n ARG 99 Ca -0.01 0.07 -0.09 0.00 -0.92 0.00 0.00 57.85 56.90 1xsj n ARG 99 Cb 0.34 -1.58 -0.09 0.00 0.45 0.00 0.00 32.46 31.59 1xsj n ARG 99 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xsj s TYR 100 N -2.51 0.18 -0.14 -0.14 1.51 -1.25 -0.36 117.35 114.64 1xsj s TYR 100 Ca -0.12 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1xsj s TYR 100 Cb 0.07 -0.12 0.01 0.00 -0.11 0.00 0.00 41.96 41.80 1xsj s TYR 100 CO 0.81 -0.38 -0.21 0.00 -1.11 0.00 0.00 175.55 174.65 1xsj s ALA 101 N -2.67 2.28 -0.03 3.71 0.00 -0.50 -0.86 121.76 123.68 1xsj s ALA 101 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1xsj s ALA 101 Cb -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1xsj s ALA 101 CO -0.05 0.03 -0.02 -2.00 0.00 0.00 0.00 175.76 173.72 1xsj s GLU 102 N 0.72 0.54 -0.13 0.00 2.12 0.40 -0.45 118.70 121.91 1xsj s GLU 102 Ca -0.09 -0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.24 1xsj s GLU 102 Cb -0.16 -0.62 0.00 0.00 0.26 0.00 0.00 34.13 33.61 1xsj s GLU 102 CO 0.00 -0.09 -0.21 0.12 -0.54 0.00 0.00 175.26 174.55 1xsj s PHE 103 N 0.85 2.66 -0.02 5.30 5.36 0.13 -1.00 117.98 131.25 1xsj s PHE 103 Ca -0.10 -1.17 0.04 0.00 -0.96 0.00 0.00 56.93 54.74 1xsj s PHE 103 Cb -0.13 -1.79 -0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1xsj s PHE 103 CO -0.01 -0.51 -0.14 0.21 -1.46 0.00 0.00 175.22 173.32 1xsj s LYS 104 N 0.63 1.27 -0.07 10.12 2.20 0.72 0.15 119.74 134.76 1xsj s LYS 104 Ca -0.11 -0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1xsj s LYS 104 Cb -0.16 -1.17 0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1xsj s LYS 104 CO 0.02 0.24 -0.00 0.45 -0.36 0.00 0.00 175.35 175.70 1xsj s SER 105 N -0.09 1.51 1.71 1.43 0.15 0.90 -1.61 113.70 117.70 1xsj s SER 105 Ca 0.01 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1xsj s SER 105 Cb -0.08 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1xsj s SER 105 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1xsj n GLY 106 N 5.01 3.63 0.31 9.45 0.00 -1.26 -1.32 105.19 121.01 1xsj n GLY 106 Ca -0.09 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1xsj n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsj n ASN 107 N 5.38 1.23 -4.58 1.61 3.02 -1.26 -4.90 115.26 115.76 1xsj n ASN 107 Ca 0.00 -1.04 -0.35 0.00 -0.03 0.00 0.00 54.58 53.15 1xsj n ASN 107 Cb 0.00 0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 39.24 1xsj n ASN 107 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsj s LEU 108 N -2.46 3.75 0.19 3.41 2.96 -0.43 -1.43 118.68 124.68 1xsj s LEU 108 Ca 0.24 0.00 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1xsj s LEU 108 Cb 0.19 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1xsj s LEU 108 CO 0.51 0.10 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.56 1xsj s SER 109 N 0.84 2.44 -0.13 3.68 1.04 -0.56 -0.07 113.70 120.95 1xsj s SER 109 Ca 0.04 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.47 1xsj s SER 109 Cb -0.13 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1xsj s SER 109 CO 0.02 -0.20 -0.17 0.00 0.98 0.00 0.00 173.24 173.88 1xsj s ALA 110 N -3.02 2.47 -0.08 5.32 0.00 0.12 -0.81 121.76 125.76 1xsj s ALA 110 Ca 0.21 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1xsj s ALA 110 Cb -0.00 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1xsj s ALA 110 CO 0.06 0.21 -0.13 0.50 0.00 0.00 0.00 175.76 176.39 1xsj s ARG 111 N 0.44 1.85 -0.09 0.00 3.52 0.29 0.19 118.95 125.14 1xsj s ARG 111 Ca -0.12 -0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1xsj s ARG 111 Cb -0.16 -1.56 -0.03 0.00 -1.56 0.00 0.00 34.95 31.64 1xsj s ARG 111 CO 0.06 -0.02 -0.07 0.08 -0.81 0.00 0.00 175.30 174.53 1xsj s VAL 112 N 0.84 3.62 -0.08 7.11 1.01 0.41 -0.30 120.40 133.00 1xsj s VAL 112 Ca -0.11 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1xsj s VAL 112 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1xsj s VAL 112 CO 0.02 0.57 0.59 -0.44 0.00 0.00 0.00 175.10 175.83 1xsj s SER 113 N -0.40 6.85 0.77 3.32 0.01 -0.42 -1.42 113.70 122.42 1xsj s SER 113 Ca 0.06 1.02 -0.10 0.00 1.31 0.00 0.00 55.95 58.24 1xsj s SER 113 Cb -0.12 -2.35 0.08 0.00 0.21 0.00 0.00 66.02 63.84 1xsj s SER 113 CO 0.02 -0.03 1.11 -0.54 0.41 0.00 0.00 173.24 174.21 1xsj s LYS 114 N 0.57 1.95 1.05 12.44 1.02 0.51 -4.18 119.74 133.10 1xsj s LYS 114 Ca 0.32 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1xsj s LYS 114 Cb -0.17 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1xsj s LYS 114 CO 0.15 -1.50 0.00 0.41 -0.92 0.00 0.00 175.35 173.48 1xsj n GLY 115 N -3.17 -1.41 0.22 -3.33 0.00 -1.26 -4.38 105.19 91.86 1xsj n GLY 115 Ca 0.09 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.57 1xsj n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsj h GLU 116 N 0.00 0.00 -3.47 1.61 4.81 -1.92 -3.40 114.58 112.21 1xsj h GLU 116 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1xsj h GLU 116 Cb 0.00 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 29.04 1xsj h GLU 116 CO 0.00 0.19 -0.19 -0.06 -0.73 0.00 0.00 179.01 178.22 1xsj s PHE 117 N -3.46 3.67 0.34 0.92 0.08 -1.26 -5.04 117.98 113.24 1xsj s PHE 117 Ca 0.02 -2.80 -0.29 0.00 0.12 0.00 0.00 56.93 53.99 1xsj s PHE 117 Cb 0.09 -3.28 -0.11 0.00 -0.57 0.00 0.00 43.02 39.15 1xsj s PHE 117 CO 0.64 -0.81 1.49 -0.46 -0.10 0.00 0.00 175.22 175.99 1xsj s TRP 118 N -0.66 2.70 -0.14 0.36 -0.11 -1.26 -4.72 118.94 115.11 1xsj s TRP 118 Ca 0.22 1.09 -0.18 0.00 1.22 0.00 0.00 56.10 58.46 1xsj s TRP 118 Cb -0.13 -3.98 0.05 0.00 -1.50 0.00 0.00 33.47 27.90 1xsj s TRP 118 CO -0.08 -2.99 0.47 0.45 -4.62 0.00 0.00 176.95 170.19 1xsj s SER 119 N 0.00 -0.47 -0.20 5.86 0.15 -1.26 -4.13 113.70 113.65 1xsj s SER 119 Ca 0.55 0.80 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 1xsj s SER 119 Cb -0.46 0.83 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1xsj s SER 119 CO 0.57 -0.26 -0.12 -0.22 1.20 0.00 0.00 173.24 174.41 1xsj s LEU 120 N -0.16 2.50 -0.03 3.45 0.20 -0.92 -1.30 118.68 122.42 1xsj s LEU 120 Ca -0.03 -0.52 0.05 0.00 0.69 0.00 0.00 54.13 54.32 1xsj s LEU 120 Cb -0.03 -1.60 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 1xsj s LEU 120 CO 0.02 -0.01 -0.19 -1.81 -0.29 0.00 0.00 176.35 174.08 1xsj s ASP 121 N 1.36 2.29 -0.25 3.68 1.01 0.59 -0.65 116.67 124.70 1xsj s ASP 121 Ca 0.05 -0.37 -0.07 0.00 0.71 0.00 0.00 52.55 52.87 1xsj s ASP 121 Cb -0.14 -0.48 -0.03 0.00 1.01 0.00 0.00 42.92 43.29 1xsj s ASP 121 CO -0.08 0.20 0.06 -0.36 0.21 0.00 0.00 175.17 175.20 1xsj s PHE 122 N -0.18 3.08 -0.01 4.23 0.08 -0.54 -0.55 117.98 124.08 1xsj s PHE 122 Ca 0.01 -0.45 0.05 0.00 0.12 0.00 0.00 56.93 56.66 1xsj s PHE 122 Cb -0.10 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 1xsj s PHE 122 CO 0.01 -0.37 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.09 1xsj s LEU 123 N 1.59 2.66 -0.30 -0.37 2.01 0.01 -1.43 118.68 122.85 1xsj s LEU 123 Ca 0.06 -0.30 -0.02 0.00 0.01 0.00 0.00 54.13 53.88 1xsj s LEU 123 Cb -0.15 -1.54 0.05 0.00 0.01 0.00 0.00 46.19 44.55 1xsj s LEU 123 CO 0.03 0.31 0.00 -0.60 1.01 0.00 0.00 176.35 177.10 1xsj s ARG 124 N -1.02 2.50 -1.32 1.70 3.52 0.16 -1.49 118.95 122.99 1xsj s ARG 124 Ca 0.13 -1.22 -0.22 0.00 -0.13 0.00 0.00 55.73 54.29 1xsj s ARG 124 Cb -0.11 -3.19 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1xsj s ARG 124 CO 0.03 -0.60 0.47 0.09 -0.81 0.00 0.00 175.30 174.47 1xsj n ASN 125 N 4.65 -2.44 0.00 -2.12 5.03 -0.51 -1.91 115.26 117.95 1xsj n ASN 125 Ca -0.13 -1.27 0.00 0.00 0.87 0.00 0.00 54.58 54.05 1xsj n ASN 125 Cb 0.44 -1.79 0.00 0.00 -1.02 0.00 0.00 39.78 37.41 1xsj n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsj n GLY 126 N -2.23 1.60 3.71 7.41 0.00 -1.26 -5.00 105.19 109.42 1xsj n GLY 126 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1xsj n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsj s GLU 127 N -0.08 4.16 -0.19 1.61 0.41 -0.80 -5.00 118.70 118.80 1xsj s GLU 127 Ca 0.00 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.03 1xsj s GLU 127 Cb 0.00 -3.43 -0.02 0.00 -1.78 0.00 0.00 34.13 28.89 1xsj s GLU 127 CO 0.00 0.25 1.47 0.50 -0.49 0.00 0.00 175.26 177.00 1xsj s ARG 128 N 0.49 3.99 -0.18 1.61 3.52 -1.26 0.36 118.95 127.48 1xsj s ARG 128 Ca 0.08 1.67 0.10 0.00 -0.13 0.00 0.00 55.73 57.45 1xsj s ARG 128 Cb -0.12 -3.93 -0.23 0.00 -1.56 0.00 0.00 34.95 29.12 1xsj s ARG 128 CO -0.01 -1.04 0.12 0.44 -0.81 0.00 0.00 175.30 174.01 1xsj n ILE 129 N 5.95 1.50 -3.04 4.11 -5.35 -0.51 -4.93 119.36 117.08 1xsj n ILE 129 Ca 0.16 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1xsj n ILE 129 Cb 0.45 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 1xsj n ILE 129 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1xsj n THR 130 N -3.01 0.00 -0.79 7.28 5.66 -1.22 -4.88 114.28 117.32 1xsj n THR 130 Ca -0.34 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1xsj n THR 130 Cb 1.08 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 1xsj n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsj n GLY 131 N 0.00 -2.13 3.13 1.09 0.00 -1.26 -1.47 105.19 104.55 1xsj n GLY 131 Ca 0.00 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1xsj n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsj s SER 132 N -0.91 3.10 0.59 1.61 0.15 0.17 -1.37 113.70 117.04 1xsj s SER 132 Ca 0.00 -0.63 -0.11 0.00 0.70 0.00 0.00 55.95 55.91 1xsj s SER 132 Cb 0.00 -1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 62.81 1xsj s SER 132 CO 0.00 0.02 1.01 -1.10 1.20 0.00 0.00 173.24 174.37 1xsj s GLN 133 N 1.16 3.65 0.31 5.44 -0.21 -1.26 -2.16 119.66 126.59 1xsj s GLN 133 Ca 0.01 0.74 -0.29 0.00 0.02 0.00 0.00 55.36 55.85 1xsj s GLN 133 Cb -0.14 -2.11 -0.13 0.00 1.00 0.00 0.00 33.01 31.64 1xsj s GLN 133 CO -0.10 -0.50 1.35 1.55 -2.12 0.00 0.00 175.29 175.47 1xsj n VAL 134 N -2.54 1.62 -1.07 1.09 3.14 -1.26 -1.23 118.33 118.07 1xsj n VAL 134 Ca 0.06 -0.40 -0.02 0.00 -2.96 0.00 0.00 64.34 61.01 1xsj n VAL 134 Cb 0.54 -1.58 -0.01 0.00 -1.06 0.00 0.00 33.84 31.73 1xsj n VAL 134 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xsj n LYS 135 N 1.11 -0.79 -0.22 1.45 5.02 -1.26 -4.89 118.16 118.57 1xsj n LYS 135 Ca 0.07 0.37 0.06 0.00 -2.02 0.00 0.00 58.31 56.79 1xsj n LYS 135 Cb 0.35 -4.07 0.17 0.00 -0.02 0.00 0.00 35.03 31.46 1xsj n LYS 135 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xsj n ASN 136 N -0.17 3.09 -4.12 4.39 3.02 -0.37 -4.95 115.26 116.15 1xsj n ASN 136 Ca -0.02 -2.14 -0.11 0.00 -0.03 0.00 0.00 54.58 52.28 1xsj n ASN 136 Cb 0.23 -0.28 -0.09 0.00 -0.61 0.00 0.00 39.78 39.04 1xsj n ASN 136 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsj s ASN 137 N -1.12 0.11 0.00 6.41 2.20 -1.26 0.23 114.94 121.51 1xsj s ASN 137 Ca 0.26 -1.27 0.00 0.00 -0.94 0.00 0.00 52.86 50.92 1xsj s ASN 137 Cb 0.15 0.44 0.00 0.00 -2.00 0.00 0.00 41.25 39.85 1xsj s ASN 137 CO 0.15 -0.93 0.00 0.61 -2.94 0.00 0.00 177.10 173.99 1xsj n GLY 138 N -0.31 0.65 3.25 0.45 0.00 -0.54 -4.30 105.19 104.38 1xsj n GLY 138 Ca 0.01 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 1xsj n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsj s TYR 139 N -3.64 2.47 -0.24 1.61 5.04 -0.12 -0.92 117.35 121.55 1xsj s TYR 139 Ca 0.00 -0.84 -0.04 0.00 -2.44 0.00 0.00 57.07 53.76 1xsj s TYR 139 Cb 0.00 -1.63 0.00 0.00 0.35 0.00 0.00 41.96 40.68 1xsj s TYR 139 CO 0.00 -0.29 -0.03 0.08 -1.34 0.00 0.00 175.55 173.97 1xsj s VAL 140 N 0.02 3.31 -0.42 3.14 1.01 0.11 -1.78 120.40 125.79 1xsj s VAL 140 Ca -0.09 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1xsj s VAL 140 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1xsj s VAL 140 CO 0.06 0.32 0.33 -1.58 0.00 0.00 0.00 175.10 174.23 1xsj s GLN 141 N 1.44 2.99 -0.51 2.72 0.74 -0.41 -0.57 119.66 126.06 1xsj s GLN 141 Ca 0.04 -0.99 -0.20 0.00 0.05 0.00 0.00 55.36 54.27 1xsj s GLN 141 Cb -0.15 -3.99 0.06 0.00 1.10 0.00 0.00 33.01 30.03 1xsj s GLN 141 CO -0.03 -0.78 0.67 0.34 -0.55 0.00 0.00 175.29 174.94 1xsj s ASP 142 N 1.75 6.24 0.00 6.67 -1.08 -0.13 -0.76 116.67 129.37 1xsj s ASP 142 Ca 0.06 -0.82 0.28 0.00 -0.52 0.00 0.00 52.55 51.56 1xsj s ASP 142 Cb -0.19 -2.31 1.15 0.00 -1.46 0.00 0.00 42.92 40.11 1xsj s ASP 142 CO 0.11 -0.94 1.84 0.35 0.52 0.00 0.00 175.17 177.04 1xsj n THR 143 N 5.71 0.00 -0.04 1.71 -2.24 -0.04 -1.22 114.28 118.16 1xsj n THR 143 Ca -0.05 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1xsj n THR 143 Cb 0.46 -0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 1xsj n THR 143 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xsj h ASN 144 N 0.13 0.52 -0.11 3.42 2.35 -1.90 -3.37 115.58 116.62 1xsj h ASN 144 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 1xsj h ASN 144 Cb 0.43 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1xsj h ASN 144 CO 0.00 1.03 0.00 -0.46 -1.65 0.00 0.00 177.43 176.35 1xsj n ASN 145 N -4.35 2.22 -2.54 5.81 0.23 -1.23 -5.01 115.26 110.39 1xsj n ASN 145 Ca -0.07 -1.91 -0.15 0.00 -0.53 0.00 0.00 54.58 51.92 1xsj n ASN 145 Cb 0.52 -0.07 -0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1xsj n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsj n GLN 146 N -0.10 -2.36 -4.15 -3.83 1.13 -0.36 -5.00 117.38 102.71 1xsj n GLN 146 Ca 0.04 0.68 -0.29 0.00 -1.94 0.00 0.00 57.00 55.49 1xsj n GLN 146 Cb 0.29 -5.32 -0.08 0.00 0.11 0.00 0.00 30.24 25.24 1xsj n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsj s ARG 147 N -5.15 2.46 -0.01 -1.09 0.52 -1.12 -4.96 118.95 109.60 1xsj s ARG 147 Ca 0.05 -0.92 0.08 0.00 -0.52 0.00 0.00 55.73 54.42 1xsj s ARG 147 Cb -0.02 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 1xsj s ARG 147 CO 0.06 0.52 -0.25 -0.80 0.02 0.00 0.00 175.30 174.84 1xsj s ASN 148 N -2.44 3.12 0.07 0.23 0.01 -1.26 -0.95 114.94 113.71 1xsj s ASN 148 Ca 0.26 -0.47 0.05 0.00 -0.71 0.00 0.00 52.86 51.98 1xsj s ASN 148 Cb -0.11 -0.36 -0.03 0.00 0.41 0.00 0.00 41.25 41.16 1xsj s ASN 148 CO 0.18 0.31 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.64 1xsj s TYR 149 N -0.64 1.18 0.01 2.20 2.02 0.27 -2.76 117.35 119.63 1xsj s TYR 149 Ca 0.10 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 1xsj s TYR 149 Cb -0.10 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 1xsj s TYR 149 CO -0.01 0.05 -0.05 -1.64 -1.57 0.00 0.00 175.55 172.33 1xsj s MET 150 N -1.79 2.56 0.16 -0.62 -1.94 -0.45 0.06 119.30 117.28 1xsj s MET 150 Ca -0.02 -0.73 -0.08 0.00 -1.71 0.00 0.00 55.69 53.15 1xsj s MET 150 Cb -0.10 -2.52 -0.01 0.00 2.01 0.00 0.00 34.83 34.21 1xsj s MET 150 CO 0.02 0.60 0.25 -0.59 -0.01 0.00 0.00 175.02 175.29 1xsj s PHE 151 N -1.04 0.44 -0.09 -0.03 -0.71 -0.09 -1.79 117.98 114.66 1xsj s PHE 151 Ca 0.18 -0.81 -0.21 0.00 -1.04 0.00 0.00 56.93 55.06 1xsj s PHE 151 Cb -0.11 -0.11 0.05 0.00 -1.21 0.00 0.00 43.02 41.64 1xsj s PHE 151 CO 0.09 -0.69 0.50 -2.00 -1.34 0.00 0.00 175.22 171.78 1xsj s GLU 152 N -3.97 0.75 -0.16 1.99 2.56 -0.77 -1.47 118.70 117.63 1xsj s GLU 152 Ca 0.17 0.29 -0.00 0.00 0.00 0.00 0.00 54.97 55.43 1xsj s GLU 152 Cb 0.04 0.35 0.04 0.00 2.00 0.00 0.00 34.13 36.56 1xsj s GLU 152 CO -0.00 -0.18 -0.08 1.03 -0.56 0.00 0.00 175.26 175.47 1xsj s ARG 153 N -0.67 1.67 -0.22 4.30 0.52 0.13 -1.03 118.95 123.66 1xsj s ARG 153 Ca -0.08 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 1xsj s ARG 153 Cb -0.03 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 1xsj s ARG 153 CO 0.05 -0.38 0.18 -0.51 0.02 0.00 0.00 175.30 174.65 1xsj s LEU 154 N 1.58 4.15 0.54 2.53 1.43 0.11 -4.39 118.68 124.63 1xsj s LEU 154 Ca 0.02 0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 1xsj s LEU 154 Cb -0.15 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 1xsj s LEU 154 CO -0.08 0.09 1.21 0.47 0.23 0.00 0.00 176.35 178.26 1xsj n ASP 155 N 4.06 2.02 -4.27 2.29 8.00 -0.47 -0.84 116.55 127.34 1xsj n ASP 155 Ca -0.15 0.95 -0.32 0.00 0.71 0.00 0.00 54.79 55.98 1xsj n ASP 155 Cb 0.52 -1.50 -0.16 0.00 -0.02 0.00 0.00 41.12 39.96 1xsj n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsj s LEU 156 N -2.59 2.31 0.00 0.64 1.43 -0.54 -4.63 118.68 115.30 1xsj s LEU 156 Ca 0.71 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 1xsj s LEU 156 Cb -0.44 -1.49 0.22 0.00 0.03 0.00 0.00 46.19 44.51 1xsj s LEU 156 CO 0.50 0.15 1.26 0.61 0.23 0.00 0.00 176.35 179.10 1xsj n GLY 157 N 3.60 -1.56 3.69 -3.19 0.00 -1.26 -4.73 105.19 101.73 1xsj n GLY 157 Ca -0.19 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1xsj n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsj s VAL 158 N -3.72 2.70 -0.32 1.61 1.01 -1.26 -1.83 120.40 118.59 1xsj s VAL 158 Ca 0.72 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1xsj s VAL 158 Cb -0.02 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1xsj s VAL 158 CO 0.50 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1xsj n GLY 159 N 4.19 0.57 3.71 4.51 0.00 -1.26 -5.01 105.19 111.90 1xsj n GLY 159 Ca 0.17 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1xsj n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 160 N -1.49 4.51 0.10 1.61 2.12 -0.76 -4.98 118.70 119.80 1xsj s GLU 160 Ca 0.00 1.19 0.09 0.00 0.36 0.00 0.00 54.97 56.62 1xsj s GLU 160 Cb 0.00 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1xsj s GLU 160 CO 0.00 0.01 -0.24 0.95 -0.54 0.00 0.00 175.26 175.43 1xsj s THR 161 N 0.89 2.01 -0.02 -1.70 -4.23 -1.26 -4.84 115.64 106.49 1xsj s THR 161 Ca 0.46 -1.57 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1xsj s THR 161 Cb -0.20 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 1xsj s THR 161 CO 0.24 0.11 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.52 1xsj s VAL 162 N -1.01 2.45 0.12 2.29 1.01 -1.26 -2.45 120.40 121.54 1xsj s VAL 162 Ca 0.11 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1xsj s VAL 162 Cb -0.10 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1xsj s VAL 162 CO 0.04 0.55 -0.08 -0.31 0.00 0.00 0.00 175.10 175.31 1xsj s TYR 163 N -0.69 1.03 0.00 5.22 2.02 -0.33 0.10 117.35 124.70 1xsj s TYR 163 Ca 0.11 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1xsj s TYR 163 Cb -0.10 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 1xsj s TYR 163 CO 0.00 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.33 1xsj n GLY 164 N -0.10 0.85 2.40 0.71 0.00 -1.26 -2.15 105.19 105.65 1xsj n GLY 164 Ca -0.11 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 1xsj n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsj n LEU 165 N 0.00 -1.53 0.00 0.99 4.77 0.29 -4.77 117.00 116.76 1xsj n LEU 165 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1xsj n LEU 165 Cb 0.00 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 38.62 1xsj n LEU 165 CO 0.00 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.16 1xsj n GLY 166 N -0.95 -1.70 3.55 -0.72 0.00 -1.24 -3.45 105.19 100.68 1xsj n GLY 166 Ca -0.19 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 1xsj n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 167 N -0.15 3.23 0.24 1.61 2.12 -0.89 -3.79 118.70 121.08 1xsj s GLU 167 Ca 0.00 -0.37 0.12 0.00 0.36 0.00 0.00 54.97 55.07 1xsj s GLU 167 Cb 0.00 -4.45 -0.05 0.00 0.26 0.00 0.00 34.13 29.90 1xsj s GLU 167 CO 0.00 -2.21 -0.20 1.03 -0.54 0.00 0.00 175.26 173.33 1xsj s ARG 168 N 5.68 1.66 0.00 4.30 0.52 -1.26 -4.55 118.95 125.29 1xsj s ARG 168 Ca 0.40 -1.65 0.03 0.00 -0.52 0.00 0.00 55.73 53.99 1xsj s ARG 168 Cb -0.07 -1.83 0.07 0.00 0.52 0.00 0.00 34.95 33.64 1xsj s ARG 168 CO 0.10 0.36 0.88 1.19 0.02 0.00 0.00 175.30 177.85 1xsj n PHE 169 N -0.27 0.08 -1.46 -0.53 3.72 -1.26 -2.94 117.46 114.80 1xsj n PHE 169 Ca -0.08 -0.29 -0.22 0.00 -0.05 0.00 0.00 57.45 56.81 1xsj n PHE 169 Cb 0.58 -0.03 0.16 0.00 -0.94 0.00 0.00 39.48 39.26 1xsj n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsj n THR 170 N -0.03 0.00 -1.57 4.37 -2.24 -1.26 -4.85 114.28 108.69 1xsj n THR 170 Ca 0.03 -0.62 -0.45 0.00 -2.27 0.00 0.00 64.05 60.73 1xsj n THR 170 Cb 0.21 -1.50 -0.02 0.00 -2.10 0.00 0.00 70.33 66.92 1xsj n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xsj n ALA 171 N -3.85 -0.53 -0.09 6.98 0.00 -1.26 -4.88 120.51 116.88 1xsj n ALA 171 Ca -0.16 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1xsj n ALA 171 Cb 0.43 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 1xsj n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xsj h LEU 172 N 2.13 0.36 -9.35 0.00 5.85 -1.93 -3.39 115.31 108.98 1xsj h LEU 172 Ca -0.39 -0.01 -0.55 0.00 0.84 0.00 0.00 57.88 57.77 1xsj h LEU 172 Cb 1.35 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1xsj h LEU 172 CO 0.62 0.26 0.48 -0.69 -0.34 0.00 0.00 178.44 178.77 1xsj s VAL 173 N -6.17 4.74 -0.77 1.05 1.01 -1.26 -4.56 120.40 114.43 1xsj s VAL 173 Ca -0.13 1.98 0.26 0.00 0.00 0.00 0.00 61.98 64.09 1xsj s VAL 173 Cb 0.10 -4.27 0.18 0.00 0.00 0.00 0.00 36.38 32.38 1xsj s VAL 173 CO 0.71 0.09 1.62 0.54 0.00 0.00 0.00 175.10 178.06 1xsj n ARG 174 N 4.41 0.21 -1.70 2.72 3.00 0.11 -4.88 116.66 120.53 1xsj n ARG 174 Ca 0.08 0.12 -0.44 0.00 -0.01 0.00 0.00 57.85 57.60 1xsj n ARG 174 Cb 0.49 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 31.23 1xsj n ARG 174 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xsj n ASN 175 N -2.02 3.68 0.00 0.55 4.13 -1.26 -1.08 115.26 119.27 1xsj n ASN 175 Ca 0.05 1.06 0.00 0.00 1.68 0.00 0.00 54.58 57.37 1xsj n ASN 175 Cb 0.41 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.13 1xsj n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsj n GLY 176 N 3.82 1.12 3.85 7.41 0.00 0.13 -4.98 105.19 116.54 1xsj n GLY 176 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1xsj n GLY 176 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xsj s GLN 177 N -0.90 3.35 -0.05 1.61 -0.21 -0.24 -4.59 119.66 118.63 1xsj s GLN 177 Ca 0.00 -0.23 -0.19 0.00 0.02 0.00 0.00 55.36 54.95 1xsj s GLN 177 Cb 0.00 -3.09 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 1xsj s GLN 177 CO 0.00 0.74 0.55 0.99 -2.12 0.00 0.00 175.29 175.45 1xsj s THR 178 N -1.08 5.03 -0.05 -0.19 2.01 -1.26 -0.63 115.64 119.46 1xsj s THR 178 Ca 0.18 1.13 -0.00 0.00 0.31 0.00 0.00 61.69 63.30 1xsj s THR 178 Cb -0.12 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.53 1xsj s THR 178 CO 0.07 0.39 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.70 1xsj s VAL 179 N 0.09 0.32 -0.21 3.82 1.01 -0.29 -4.99 120.40 120.15 1xsj s VAL 179 Ca 0.29 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1xsj s VAL 179 Cb -0.17 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1xsj s VAL 179 CO 0.15 0.22 0.01 -1.61 0.00 0.00 0.00 175.10 173.86 1xsj s GLU 180 N 1.52 3.63 -0.87 2.72 0.41 -1.26 -0.33 118.70 124.52 1xsj s GLU 180 Ca -0.02 -0.51 -0.20 0.00 -0.41 0.00 0.00 54.97 53.83 1xsj s GLU 180 Cb -0.13 -3.11 0.11 0.00 -1.78 0.00 0.00 34.13 29.22 1xsj s GLU 180 CO -0.03 -0.00 1.10 0.95 -0.49 0.00 0.00 175.26 176.79 1xsj s THR 181 N 1.05 4.59 -0.27 3.63 -4.23 -0.40 -4.87 115.64 115.14 1xsj s THR 181 Ca 0.02 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1xsj s THR 181 Cb -0.14 -4.77 0.15 0.00 1.34 0.00 0.00 72.50 69.08 1xsj s THR 181 CO 0.02 -1.52 0.44 0.86 -0.54 0.00 0.00 174.62 173.88 1xsj s TRP 182 N 3.13 -1.06 0.19 3.99 -0.11 -1.26 -4.00 118.94 119.81 1xsj s TRP 182 Ca 0.31 0.87 -0.33 0.00 1.22 0.00 0.00 56.10 58.17 1xsj s TRP 182 Cb -0.07 0.09 -0.14 0.00 -1.50 0.00 0.00 33.47 31.84 1xsj s TRP 182 CO -0.05 -0.84 1.53 0.09 -4.62 0.00 0.00 176.95 173.07 1xsj n ASN 183 N 5.38 3.03 -4.19 5.86 3.02 -1.26 -4.67 115.26 122.42 1xsj n ASN 183 Ca -0.02 1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 55.52 1xsj n ASN 183 Cb 0.50 -1.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.14 1xsj n ASN 183 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xsj s ARG 184 N 0.53 1.05 -0.97 3.52 0.52 -0.18 -4.62 118.95 118.79 1xsj s ARG 184 Ca 0.76 -1.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 1xsj s ARG 184 Cb -0.67 0.09 0.25 0.00 0.52 0.00 0.00 34.95 35.14 1xsj s ARG 184 CO 0.41 -0.25 0.93 0.34 0.02 0.00 0.00 175.30 176.75 1xsj s ASP 185 N -3.12 6.91 -0.08 0.23 -1.08 -1.26 -3.25 116.67 115.01 1xsj s ASP 185 Ca 0.27 -3.25 0.12 0.00 -0.52 0.00 0.00 52.55 49.17 1xsj s ASP 185 Cb 0.07 -2.17 0.27 0.00 -1.46 0.00 0.00 42.92 39.63 1xsj s ASP 185 CO 0.05 -0.38 1.19 0.61 0.52 0.00 0.00 175.17 177.15 1xsj n GLY 186 N 3.16 3.81 7.00 2.66 0.00 -1.26 -5.11 105.19 115.45 1xsj n GLY 186 Ca 0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1xsj n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 187 N -0.63 -0.30 0.86 -0.02 0.00 -1.26 -4.31 105.19 99.53 1xsj n GLY 187 Ca 0.12 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.18 1xsj n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsj n THR 188 N -0.31 0.69 0.55 2.61 -2.24 -1.25 -4.69 114.28 109.65 1xsj n THR 188 Ca 0.00 -0.85 0.08 0.00 -2.27 0.00 0.00 64.05 61.01 1xsj n THR 188 Cb 0.00 0.76 0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1xsj n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsj n SER 189 N 0.98 2.37 -2.02 3.42 7.64 -1.26 -4.75 113.62 120.00 1xsj n SER 189 Ca 0.15 -1.67 -0.07 0.00 1.01 0.00 0.00 58.87 58.29 1xsj n SER 189 Cb 0.48 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1xsj n SER 189 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xsj n THR 190 N 0.86 0.00 0.32 0.44 -2.24 -1.26 -5.05 114.28 107.36 1xsj n THR 190 Ca 0.10 -0.70 0.15 0.00 -2.27 0.00 0.00 64.05 61.33 1xsj n THR 190 Cb 0.39 0.28 0.53 0.00 -2.10 0.00 0.00 70.33 69.43 1xsj n THR 190 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1xsj h GLU 191 N 0.00 0.00 -7.29 -0.78 9.09 -1.95 -3.40 114.58 110.25 1xsj h GLU 191 Ca -0.09 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.82 1xsj h GLU 191 Cb 0.35 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 27.55 1xsj h GLU 191 CO 0.13 0.00 0.36 -0.65 0.05 0.00 0.00 179.01 178.90 1xsj s GLN 192 N -3.46 2.79 0.01 1.06 -0.21 -1.26 -4.89 119.66 113.70 1xsj s GLN 192 Ca 0.04 1.11 0.01 0.00 0.02 0.00 0.00 55.36 56.54 1xsj s GLN 192 Cb 0.09 -1.97 -0.01 0.00 1.00 0.00 0.00 33.01 32.12 1xsj s GLN 192 CO 0.54 -1.22 -0.03 0.00 -2.12 0.00 0.00 175.29 172.46 1xsj s ALA 193 N -2.82 0.20 -0.07 6.09 0.00 -1.26 -4.71 121.76 119.19 1xsj s ALA 193 Ca 0.61 -0.28 0.23 0.00 0.00 0.00 0.00 51.96 52.52 1xsj s ALA 193 Cb -0.16 0.01 0.67 0.00 0.00 0.00 0.00 23.12 23.64 1xsj s ALA 193 CO 0.50 -0.01 1.72 1.88 0.00 0.00 0.00 175.76 179.85 1xsj h TYR 194 N 5.57 0.00 -3.00 0.00 0.05 -1.79 -0.47 116.97 117.33 1xsj h TYR 194 Ca -0.28 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.90 1xsj h TYR 194 Cb 1.20 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.55 1xsj h TYR 194 CO 0.50 0.20 -0.76 0.15 -1.05 0.00 0.00 178.16 177.19 1xsj s LYS 195 N -3.40 0.94 -0.11 4.88 1.02 -1.26 -3.47 119.74 118.34 1xsj s LYS 195 Ca 0.03 -1.51 -0.03 0.00 0.02 0.00 0.00 55.97 54.48 1xsj s LYS 195 Cb 0.08 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1xsj s LYS 195 CO 0.65 -1.09 0.01 -0.80 -0.92 0.00 0.00 175.35 173.20 1xsj s ASN 196 N 1.00 5.26 -0.05 2.83 0.01 -1.22 -2.08 114.94 120.68 1xsj s ASN 196 Ca 0.14 0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.38 1xsj s ASN 196 Cb -0.21 -1.59 0.03 0.00 0.41 0.00 0.00 41.25 39.89 1xsj s ASN 196 CO -0.10 0.33 0.09 -0.63 -1.51 0.00 0.00 177.10 175.27 1xsj s ILE 197 N -0.56 -0.14 -0.22 0.60 -1.09 -1.22 -4.39 121.20 114.17 1xsj s ILE 197 Ca 0.10 0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 58.83 1xsj s ILE 197 Cb -0.12 -0.18 -0.17 0.00 -1.58 0.00 0.00 42.46 40.41 1xsj s ILE 197 CO 0.02 0.16 3.35 -0.81 -1.23 0.00 0.00 174.94 176.43 1xsj n PRO 198 N 5.12 2.23 -4.90 2.79 -0.04 -1.26 -3.63 135.00 135.32 1xsj n PRO 198 Ca -0.07 -1.46 -0.27 0.00 -0.04 0.00 0.00 63.50 61.66 1xsj n PRO 198 Cb 0.50 -2.09 -0.16 0.00 -0.04 0.00 0.00 33.50 31.71 1xsj n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsj s PHE 199 N 0.30 1.87 0.23 0.54 5.36 -1.26 -0.59 117.98 124.42 1xsj s PHE 199 Ca 0.65 -0.60 0.06 0.00 -0.96 0.00 0.00 56.93 56.08 1xsj s PHE 199 Cb 0.33 -1.26 -0.05 0.00 -0.34 0.00 0.00 43.02 41.69 1xsj s PHE 199 CO -0.06 -0.22 -0.08 1.52 -1.46 0.00 0.00 175.22 174.91 1xsj s TYR 200 N 0.15 1.74 0.12 10.12 -0.85 -0.36 -0.55 117.35 127.72 1xsj s TYR 200 Ca -0.07 -0.70 0.02 0.00 -0.52 0.00 0.00 57.07 55.79 1xsj s TYR 200 Cb -0.13 -0.93 -0.04 0.00 0.38 0.00 0.00 41.96 41.24 1xsj s TYR 200 CO 0.03 0.23 -0.05 0.00 -1.52 0.00 0.00 175.55 174.25 1xsj s MET 201 N -3.73 0.93 0.41 -3.49 0.23 -0.91 -0.98 119.30 111.76 1xsj s MET 201 Ca 0.26 -1.40 0.06 0.00 -1.03 0.00 0.00 55.69 53.58 1xsj s MET 201 Cb 0.02 -0.25 -0.08 0.00 -1.53 0.00 0.00 34.83 33.00 1xsj s MET 201 CO 0.09 -0.05 0.01 0.95 -2.03 0.00 0.00 175.02 173.99 1xsj s THR 202 N -3.62 1.89 -2.00 3.16 -4.23 -0.85 -1.19 115.64 108.80 1xsj s THR 202 Ca 0.16 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.79 1xsj s THR 202 Cb 0.05 -2.94 0.35 0.00 1.34 0.00 0.00 72.50 71.31 1xsj s THR 202 CO -0.02 0.00 1.42 -0.46 -0.54 0.00 0.00 174.62 175.02 1xsj n ASN 203 N -0.97 0.00 -0.83 3.99 6.94 -1.02 -2.48 115.26 120.89 1xsj n ASN 203 Ca -0.06 -1.47 0.10 0.00 -0.02 0.00 0.00 54.58 53.14 1xsj n ASN 203 Cb 0.67 0.00 0.28 0.00 -2.36 0.00 0.00 39.78 38.37 1xsj n ASN 203 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xsj n ARG 204 N -0.71 2.07 -2.68 -3.83 5.12 -1.26 -4.98 116.66 110.39 1xsj n ARG 204 Ca 0.09 -1.63 -0.04 0.00 -1.93 0.00 0.00 57.85 54.34 1xsj n ARG 204 Cb 0.04 -1.43 0.01 0.00 -1.16 0.00 0.00 32.46 29.93 1xsj n ARG 204 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xsj n GLY 205 N 1.28 0.70 3.22 -0.13 0.00 -1.03 -4.95 105.19 104.28 1xsj n GLY 205 Ca 0.17 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1xsj n GLY 205 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xsj s TYR 206 N -3.05 0.47 0.22 1.61 -0.85 -1.26 -1.64 117.35 112.84 1xsj s TYR 206 Ca 0.10 -0.88 0.03 0.00 -0.52 0.00 0.00 57.07 55.80 1xsj s TYR 206 Cb -0.04 -0.21 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 1xsj s TYR 206 CO 0.12 -0.58 0.00 0.20 -1.52 0.00 0.00 175.55 173.78 1xsj s GLY 207 N -2.96 1.48 -0.06 5.49 0.00 0.42 -2.01 107.32 109.67 1xsj s GLY 207 Ca 0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1xsj s GLY 207 CO -0.04 -1.63 0.13 0.54 0.00 0.00 0.00 173.10 172.11 1xsj s VAL 208 N -3.49 -0.12 -0.25 1.40 0.11 -0.16 -0.07 120.40 117.81 1xsj s VAL 208 Ca 0.28 0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 59.49 1xsj s VAL 208 Cb 0.06 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1xsj s VAL 208 CO 0.08 0.11 0.14 -0.22 -3.33 0.00 0.00 175.10 171.88 1xsj s LEU 209 N 1.60 3.89 -0.33 2.54 2.96 -0.91 -1.23 118.68 127.20 1xsj s LEU 209 Ca -0.04 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.67 1xsj s LEU 209 Cb -0.12 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1xsj s LEU 209 CO -0.05 0.01 0.54 -0.69 -1.32 0.00 0.00 176.35 174.84 1xsj s VAL 210 N 1.39 5.00 -1.35 1.68 1.01 0.24 -0.66 120.40 127.70 1xsj s VAL 210 Ca 0.07 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1xsj s VAL 210 Cb -0.15 -3.96 0.11 0.00 0.00 0.00 0.00 36.38 32.38 1xsj s VAL 210 CO 0.07 -0.18 2.21 -3.20 0.00 0.00 0.00 175.10 174.00 1xsj n ASN 211 N 5.77 6.34 -3.51 3.32 5.15 0.68 -4.79 115.26 128.23 1xsj n ASN 211 Ca -0.04 -3.03 -0.18 0.00 -0.60 0.00 0.00 54.58 50.73 1xsj n ASN 211 Cb 0.49 -1.47 -0.13 0.00 -0.53 0.00 0.00 39.78 38.14 1xsj n ASN 211 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xsj s HIS 212 N 0.39 -0.26 0.29 1.20 3.76 -1.26 -4.76 115.29 114.65 1xsj s HIS 212 Ca 0.49 0.24 0.32 0.00 -0.15 0.00 0.00 55.06 55.95 1xsj s HIS 212 Cb 0.14 -0.36 1.47 0.00 1.11 0.00 0.00 32.58 34.94 1xsj s HIS 212 CO -0.05 -0.58 2.04 -1.35 -0.85 0.00 0.00 174.74 173.95 1xsj h PRO 213 N 8.32 0.00 0.00 8.40 0.11 -1.87 -3.45 132.00 143.51 1xsj h PRO 213 Ca -0.17 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.73 1xsj h PRO 213 Cb 1.15 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.35 1xsj h PRO 213 CO 0.27 0.08 0.13 0.00 -0.21 0.00 0.00 178.00 178.27 1xsj n GLN 214 N -3.32 -1.47 -1.82 1.05 0.00 -1.26 -4.46 117.38 106.10 1xsj n GLN 214 Ca -0.01 -0.95 -0.42 0.00 0.00 0.00 0.00 57.00 55.62 1xsj n GLN 214 Cb 0.27 -0.77 -0.03 0.00 0.00 0.00 0.00 30.24 29.72 1xsj n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsj s VAL 216 N 2.55 3.62 -0.39 0.00 1.01 -1.26 -4.58 120.40 121.35 1xsj s VAL 216 Ca 0.77 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1xsj s VAL 216 Cb -0.43 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1xsj s VAL 216 CO 0.34 0.50 0.23 -0.55 0.00 0.00 0.00 175.10 175.62 1xsj s SER 217 N 0.35 5.73 -0.10 3.32 0.15 -0.90 -1.27 113.70 120.98 1xsj s SER 217 Ca -0.06 -1.13 -0.13 0.00 0.70 0.00 0.00 55.95 55.32 1xsj s SER 217 Cb -0.15 -2.02 -0.05 0.00 -1.71 0.00 0.00 66.02 62.09 1xsj s SER 217 CO 0.04 -0.43 0.32 -0.36 1.20 0.00 0.00 173.24 174.00 1xsj s PHE 218 N 1.53 3.57 -0.43 3.44 0.40 0.55 -2.08 117.98 124.96 1xsj s PHE 218 Ca 0.02 0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 57.06 1xsj s PHE 218 Cb -0.20 -2.27 0.12 0.00 0.51 0.00 0.00 43.02 41.17 1xsj s PHE 218 CO 0.06 0.45 0.23 -1.21 0.70 0.00 0.00 175.22 175.44 1xsj s GLU 219 N -0.27 2.05 -0.89 0.44 0.41 0.51 -1.14 118.70 119.81 1xsj s GLU 219 Ca 0.19 -1.89 -0.19 0.00 -0.41 0.00 0.00 54.97 52.67 1xsj s GLU 219 Cb -0.14 -3.60 0.13 0.00 -1.78 0.00 0.00 34.13 28.75 1xsj s GLU 219 CO 0.07 -1.08 1.07 0.08 -0.49 0.00 0.00 175.26 174.91 1xsj s VAL 220 N 1.02 4.79 -1.55 2.63 1.01 0.19 -1.57 120.40 126.93 1xsj s VAL 220 Ca 0.09 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1xsj s VAL 220 Cb -0.23 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.42 1xsj s VAL 220 CO -0.04 -1.45 0.00 0.61 0.00 0.00 0.00 175.10 174.22 1xsj n GLY 221 N 5.34 1.47 0.00 4.51 0.00 -0.43 0.23 105.19 116.31 1xsj n GLY 221 Ca 0.20 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1xsj n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsj n SER 222 N -0.72 1.06 0.01 1.61 3.41 -1.26 -3.83 113.62 113.91 1xsj n SER 222 Ca -0.15 -0.40 -0.03 0.00 -0.26 0.00 0.00 58.87 58.04 1xsj n SER 222 Cb 0.53 1.39 -0.01 0.00 -0.26 0.00 0.00 64.21 65.86 1xsj n SER 222 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xsj n GLU 223 N -1.74 0.12 -3.55 4.33 2.13 -1.26 -4.91 120.64 115.76 1xsj n GLU 223 Ca -0.00 0.05 -0.41 0.00 0.66 0.00 0.00 57.16 57.46 1xsj n GLU 223 Cb 0.34 -0.72 -0.11 0.00 0.27 0.00 0.00 31.44 31.22 1xsj n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsj s LYS 224 N -2.20 2.92 0.56 5.31 -0.14 -1.26 -4.97 119.74 119.96 1xsj s LYS 224 Ca -0.07 -1.03 0.27 0.00 -1.36 0.00 0.00 55.97 53.78 1xsj s LYS 224 Cb 0.01 -3.81 1.51 0.00 -1.68 0.00 0.00 37.83 33.86 1xsj s LYS 224 CO 0.10 -0.69 2.03 -0.39 -0.76 0.00 0.00 175.35 175.63 1xsj h VAL 225 N 5.77 0.58 -0.52 3.17 -1.51 -1.92 -2.54 116.25 119.28 1xsj h VAL 225 Ca -0.27 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 64.87 1xsj h VAL 225 Cb 1.11 0.77 -0.21 0.00 -2.13 0.00 0.00 31.29 30.83 1xsj h VAL 225 CO 0.68 0.00 -0.20 -1.54 -1.23 0.00 0.00 177.57 175.29 1xsj n SER 226 N -4.04 3.73 -3.72 4.19 3.41 -1.26 -4.50 113.62 111.43 1xsj n SER 226 Ca 0.06 -3.79 -0.12 0.00 -0.26 0.00 0.00 58.87 54.75 1xsj n SER 226 Cb 0.48 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 1xsj n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xsj s LYS 227 N -3.42 0.82 -0.36 4.33 1.02 -0.96 -1.46 119.74 119.70 1xsj s LYS 227 Ca 0.49 -0.37 -0.14 0.00 0.02 0.00 0.00 55.97 55.96 1xsj s LYS 227 Cb 0.42 0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 38.08 1xsj s LYS 227 CO 0.00 -0.26 0.30 0.08 -0.92 0.00 0.00 175.35 174.55 1xsj s VAL 228 N -2.21 5.24 -0.07 3.17 1.01 -0.02 -1.31 120.40 126.20 1xsj s VAL 228 Ca -0.07 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1xsj s VAL 228 Cb -0.02 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1xsj s VAL 228 CO -0.01 -0.13 0.30 -1.58 0.00 0.00 0.00 175.10 173.69 1xsj s GLN 229 N 1.82 3.85 -0.00 2.72 0.74 -0.61 -0.71 119.66 127.47 1xsj s GLN 229 Ca 0.08 0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.65 1xsj s GLN 229 Cb -0.17 -3.26 -0.00 0.00 1.10 0.00 0.00 33.01 30.67 1xsj s GLN 229 CO 0.11 0.61 0.03 -0.59 -0.55 0.00 0.00 175.29 174.90 1xsj s PHE 230 N -0.70 0.05 0.10 1.67 -0.12 -0.20 -0.37 117.98 118.41 1xsj s PHE 230 Ca 0.20 -0.09 -0.05 0.00 -0.05 0.00 0.00 56.93 56.93 1xsj s PHE 230 Cb -0.14 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 1xsj s PHE 230 CO 0.08 -0.09 0.12 -1.54 -0.05 0.00 0.00 175.22 173.74 1xsj s SER 231 N -0.52 0.25 -0.10 1.98 1.04 -0.88 -1.85 113.70 113.62 1xsj s SER 231 Ca -0.06 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.23 1xsj s SER 231 Cb -0.04 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.45 1xsj s SER 231 CO -0.00 -0.72 0.58 0.54 0.98 0.00 0.00 173.24 174.62 1xsj s VAL 232 N -3.93 0.01 -0.69 5.02 0.11 -0.74 -2.11 120.40 118.07 1xsj s VAL 232 Ca 0.11 -0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.79 1xsj s VAL 232 Cb 0.06 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1xsj s VAL 232 CO -0.07 -0.06 1.24 -0.70 -3.33 0.00 0.00 175.10 172.19 1xsj s GLU 233 N -0.75 3.28 -0.14 1.54 2.12 -1.26 -1.34 118.70 122.14 1xsj s GLU 233 Ca -0.08 -0.13 -0.31 0.00 0.36 0.00 0.00 54.97 54.81 1xsj s GLU 233 Cb -0.02 -4.14 0.13 0.00 0.26 0.00 0.00 34.13 30.36 1xsj s GLU 233 CO 0.06 -2.00 1.07 0.45 -0.54 0.00 0.00 175.26 174.30 1xsj s SER 234 N 3.52 -0.26 0.00 -1.70 0.15 -1.11 -4.98 113.70 109.32 1xsj s SER 234 Ca 0.37 0.13 0.29 0.00 0.70 0.00 0.00 55.95 57.44 1xsj s SER 234 Cb -0.08 0.25 1.32 0.00 -1.71 0.00 0.00 66.02 65.80 1xsj s SER 234 CO 0.18 -0.35 1.93 -0.62 1.20 0.00 0.00 173.24 175.58 1xsj n GLU 235 N 0.19 0.42 -3.89 5.44 -0.58 -1.26 -3.60 120.64 117.36 1xsj n GLU 235 Ca -0.05 -0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.52 1xsj n GLU 235 Cb 0.59 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.88 1xsj n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsj s TYR 236 N -2.63 0.17 -0.06 -0.32 -0.85 -1.26 -0.47 117.35 111.92 1xsj s TYR 236 Ca 0.25 -0.52 0.04 0.00 -0.52 0.00 0.00 57.07 56.32 1xsj s TYR 236 Cb 0.20 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.45 1xsj s TYR 236 CO 0.49 -0.47 -0.17 -1.17 -1.52 0.00 0.00 175.55 172.71 1xsj s LEU 237 N -2.52 1.87 -0.06 -3.49 2.96 0.33 -4.82 118.68 112.95 1xsj s LEU 237 Ca 0.01 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1xsj s LEU 237 Cb 0.02 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.69 1xsj s LEU 237 CO -0.08 0.12 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.29 1xsj s GLU 238 N 0.30 1.32 0.07 1.98 2.12 -1.26 0.10 118.70 123.33 1xsj s GLU 238 Ca -0.11 -0.27 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 1xsj s GLU 238 Cb -0.15 -1.18 -0.03 0.00 0.26 0.00 0.00 34.13 33.04 1xsj s GLU 238 CO 0.04 -0.04 0.03 1.52 -0.54 0.00 0.00 175.26 176.28 1xsj s TYR 239 N 0.84 0.47 -0.13 5.30 1.13 -0.34 -0.23 117.35 124.38 1xsj s TYR 239 Ca -0.12 -0.97 0.02 0.00 -1.41 0.00 0.00 57.07 54.59 1xsj s TYR 239 Cb -0.15 -0.32 0.01 0.00 -1.10 0.00 0.00 41.96 40.41 1xsj s TYR 239 CO 0.01 -0.44 -0.18 -0.06 -2.51 0.00 0.00 175.55 172.37 1xsj s PHE 240 N -3.92 2.38 -0.09 -3.49 0.08 0.16 -0.83 117.98 112.27 1xsj s PHE 240 Ca 0.08 -1.22 -0.21 0.00 0.12 0.00 0.00 56.93 55.71 1xsj s PHE 240 Cb 0.07 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1xsj s PHE 240 CO -0.09 -0.60 0.59 0.08 -0.10 0.00 0.00 175.22 175.10 1xsj s VAL 241 N 1.02 5.10 -0.22 -0.44 1.01 -0.38 -2.14 120.40 124.35 1xsj s VAL 241 Ca -0.04 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1xsj s VAL 241 Cb -0.15 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1xsj s VAL 241 CO -0.04 0.30 -0.13 -0.63 0.00 0.00 0.00 175.10 174.60 1xsj s ILE 242 N 0.64 2.32 0.64 2.22 1.01 0.90 -1.15 121.20 127.79 1xsj s ILE 242 Ca 0.32 -1.19 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1xsj s ILE 242 Cb -0.16 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1xsj s ILE 242 CO 0.14 0.26 1.08 -0.62 0.00 0.00 0.00 174.94 175.81 1xsj s ASP 243 N 1.24 5.37 0.00 3.58 2.15 -0.54 -0.44 116.67 128.03 1xsj s ASP 243 Ca -0.01 1.88 0.00 0.00 0.43 0.00 0.00 52.55 54.85 1xsj s ASP 243 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1xsj s ASP 243 CO -0.08 -1.45 0.00 0.61 -0.17 0.00 0.00 175.17 174.08 1xsj n GLY 244 N -0.87 0.26 0.55 2.66 0.00 -0.65 -4.01 105.19 103.13 1xsj n GLY 244 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1xsj n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xsj n PRO 245 N 0.00 1.71 -4.23 1.61 -0.04 -1.26 -4.68 135.00 128.11 1xsj n PRO 245 Ca 0.00 -1.02 -0.25 0.00 -0.04 0.00 0.00 63.50 62.19 1xsj n PRO 245 Cb 0.00 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 1xsj n PRO 245 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xsj s THR 246 N -1.63 3.66 0.34 0.52 -4.23 -1.26 -4.15 115.64 108.89 1xsj s THR 246 Ca 0.19 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 1xsj s THR 246 Cb 0.10 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.37 1xsj s THR 246 CO 0.12 -0.21 1.83 -0.65 -0.54 0.00 0.00 174.62 175.17 1xsj h PRO 247 N 2.37 0.70 -0.44 3.99 0.11 -1.87 -1.26 132.00 135.61 1xsj h PRO 247 Ca -0.46 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1xsj h PRO 247 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1xsj h PRO 247 CO 0.59 0.46 -0.12 0.87 -0.21 0.00 0.00 178.00 179.59 1xsj h LYS 248 N 0.72 0.80 -0.28 1.05 1.57 -1.96 -2.46 116.57 116.02 1xsj h LYS 248 Ca 0.51 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1xsj h LYS 248 Cb 0.82 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1xsj h LYS 248 CO -0.27 0.88 -0.38 0.00 -0.57 0.00 0.00 179.45 179.12 1xsj h ALA 249 N 1.14 0.83 -0.35 3.86 0.00 -1.75 -1.26 119.26 121.73 1xsj h ALA 249 Ca 0.12 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1xsj h ALA 249 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xsj h ALA 249 CO 0.04 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.44 1xsj h VAL 250 N 0.53 1.07 -0.20 0.00 2.07 -1.06 -1.65 116.25 117.01 1xsj h VAL 250 Ca 0.05 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1xsj h VAL 250 Cb 0.89 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1xsj h VAL 250 CO 0.08 0.08 -0.31 -0.07 0.02 0.00 0.00 177.57 177.37 1xsj h LEU 251 N 0.45 0.41 0.32 2.57 3.38 -1.36 0.13 115.31 121.21 1xsj h LEU 251 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xsj h LEU 251 Cb -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xsj h LEU 251 CO -0.04 0.71 -0.22 -0.78 0.09 0.00 0.00 178.44 178.20 1xsj h ASP 252 N 0.35 -0.55 -0.82 -0.43 3.58 -1.02 0.03 116.42 117.56 1xsj h ASP 252 Ca 0.05 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1xsj h ASP 252 Cb 0.72 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 1xsj h ASP 252 CO 0.06 -0.34 0.54 0.03 -2.88 0.00 0.00 179.24 176.64 1xsj h ARG 253 N -0.53 1.08 -0.13 0.28 3.08 -0.97 -1.55 114.38 115.65 1xsj h ARG 253 Ca -0.03 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1xsj h ARG 253 Cb 0.45 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1xsj h ARG 253 CO 0.01 0.72 0.04 -0.92 -1.07 0.00 0.00 179.97 178.75 1xsj h TYR 254 N 1.11 0.21 0.00 3.04 3.20 -0.58 -0.32 116.97 123.63 1xsj h TYR 254 Ca 0.30 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 1xsj h TYR 254 Cb -0.12 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1xsj h TYR 254 CO -0.01 0.32 -0.52 1.79 -1.64 0.00 0.00 178.16 178.10 1xsj h THR 255 N 0.03 1.20 -0.42 1.81 1.35 -0.96 0.18 112.91 116.10 1xsj h THR 255 Ca 0.04 -1.90 -0.04 0.00 -0.55 0.00 0.00 66.41 63.96 1xsj h THR 255 Cb 0.21 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1xsj h THR 255 CO -0.00 0.51 0.11 -0.09 -0.25 0.00 0.00 175.52 175.80 1xsj h ARG 256 N 0.00 0.67 -0.25 4.72 2.43 -1.03 0.48 114.38 121.40 1xsj h ARG 256 Ca -0.01 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1xsj h ARG 256 Cb 1.04 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1xsj h ARG 256 CO 0.07 0.68 -0.19 0.35 -1.51 0.00 0.00 179.97 179.37 1xsj h PHE 257 N 0.54 0.66 0.00 2.20 3.57 -0.67 -3.36 116.94 119.89 1xsj h PHE 257 Ca 0.13 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1xsj h PHE 257 Cb 0.31 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1xsj h PHE 257 CO 0.02 0.86 -0.78 0.25 -2.23 0.00 0.00 178.31 176.43 1xsj n THR 258 N -4.41 0.00 0.00 4.41 -2.24 0.58 -0.78 114.28 111.85 1xsj n THR 258 Ca -0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1xsj n THR 258 Cb 0.40 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1xsj n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsj n GLY 259 N 1.37 4.36 3.75 3.38 0.00 0.17 -4.01 105.19 114.21 1xsj n GLY 259 Ca 0.02 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1xsj n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xsj s ARG 260 N -4.88 4.50 0.16 1.61 1.81 -1.10 -4.51 118.95 116.54 1xsj s ARG 260 Ca 0.00 1.08 -0.34 0.00 -1.72 0.00 0.00 55.73 54.75 1xsj s ARG 260 Cb 0.00 -3.35 -0.15 0.00 -0.45 0.00 0.00 34.95 31.01 1xsj s ARG 260 CO 0.00 0.33 1.43 -2.30 -0.68 0.00 0.00 175.30 174.08 1xsj n PRO 261 N 2.62 1.73 -1.02 3.54 -0.02 -1.25 -3.94 135.00 136.66 1xsj n PRO 261 Ca -0.03 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 1xsj n PRO 261 Cb 0.50 -2.30 0.16 0.00 -0.02 0.00 0.00 33.50 31.84 1xsj n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsj s ALA 262 N 0.46 1.27 -0.38 3.55 0.00 -1.24 -3.94 121.76 121.48 1xsj s ALA 262 Ca 0.78 0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1xsj s ALA 262 Cb -0.77 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1xsj s ALA 262 CO 0.44 -2.61 0.35 -1.17 0.00 0.00 0.00 175.76 172.77 1xsj s LEU 263 N -6.42 4.72 0.56 0.00 2.96 -1.26 -4.71 118.68 114.54 1xsj s LEU 263 Ca 0.65 -0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 1xsj s LEU 263 Cb -0.20 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 1xsj s LEU 263 CO 0.58 -0.41 1.13 -2.84 -1.32 0.00 0.00 176.35 173.49 1xsj s PRO 264 N 1.92 3.27 0.74 0.98 0.02 -1.26 -4.91 135.00 135.76 1xsj s PRO 264 Ca 0.09 1.57 -0.16 0.00 0.02 0.00 0.00 61.00 62.53 1xsj s PRO 264 Cb -0.17 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.36 1xsj s PRO 264 CO 0.12 -0.91 0.90 -0.35 -0.33 0.00 0.00 177.00 176.42 1xsj n PRO 265 N -1.48 0.41 0.16 5.54 -0.04 -1.23 -4.89 135.00 133.47 1xsj n PRO 265 Ca 0.11 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1xsj n PRO 265 Cb 0.51 -2.16 0.30 0.00 -0.04 0.00 0.00 33.50 32.11 1xsj n PRO 265 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsj h ALA 266 N -0.39 1.26 -0.06 0.55 0.00 -1.89 -2.55 119.26 116.19 1xsj h ALA 266 Ca -0.47 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.07 1xsj h ALA 266 Cb 1.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xsj h ALA 266 CO 0.46 0.54 0.05 0.11 0.00 0.00 0.00 179.25 180.40 1xsj h TRP 267 N 0.05 0.00 0.00 0.00 5.08 -1.90 -1.79 115.95 117.39 1xsj h TRP 267 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1xsj h TRP 267 Cb 0.76 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.92 1xsj h TRP 267 CO 0.00 0.00 0.00 -1.13 -1.28 0.00 0.00 178.44 176.03 1xsj n SER 268 N -4.43 0.65 -0.06 0.11 3.41 -0.96 -1.80 113.62 110.54 1xsj n SER 268 Ca -0.02 0.67 0.15 0.00 -0.26 0.00 0.00 58.87 59.41 1xsj n SER 268 Cb 0.15 -0.80 0.74 0.00 -0.26 0.00 0.00 64.21 64.04 1xsj n SER 268 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xsj n PHE 269 N -2.23 0.00 -0.03 7.33 3.72 -0.67 -4.71 117.46 120.88 1xsj n PHE 269 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1xsj n PHE 269 Cb 0.22 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1xsj n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsj n GLY 270 N 1.20 -0.97 3.69 1.37 0.00 -0.74 -4.77 105.19 104.96 1xsj n GLY 270 Ca 0.17 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 1xsj n GLY 270 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsj s LEU 271 N 0.00 4.20 -0.16 0.99 2.96 -1.26 -4.26 118.68 121.15 1xsj s LEU 271 Ca 0.00 0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 1xsj s LEU 271 Cb 0.00 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 1xsj s LEU 271 CO 0.00 -0.14 0.19 0.26 -1.32 0.00 0.00 176.35 175.34 1xsj s TRP 272 N 1.30 3.49 -0.02 5.38 0.52 -0.33 -1.08 118.94 128.20 1xsj s TRP 272 Ca 0.27 0.49 0.07 0.00 0.02 0.00 0.00 56.10 56.95 1xsj s TRP 272 Cb -0.16 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 29.98 1xsj s TRP 272 CO 0.11 0.41 -0.23 -1.17 0.02 0.00 0.00 176.95 176.09 1xsj s LEU 273 N -0.05 2.05 0.44 2.99 1.98 0.19 -0.57 118.68 125.70 1xsj s LEU 273 Ca 0.13 -0.41 0.07 0.00 -2.89 0.00 0.00 54.13 51.02 1xsj s LEU 273 Cb -0.12 -1.16 -0.04 0.00 0.66 0.00 0.00 46.19 45.53 1xsj s LEU 273 CO 0.02 0.28 0.18 0.42 -1.89 0.00 0.00 176.35 175.35 1xsj s THR 274 N -0.53 2.11 -1.19 3.68 -4.23 -0.56 -0.53 115.64 114.38 1xsj s THR 274 Ca 0.09 -1.72 0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1xsj s THR 274 Cb -0.09 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.10 1xsj s THR 274 CO -0.01 0.00 1.44 0.35 -0.54 0.00 0.00 174.62 175.86 1xsj n THR 275 N -1.28 0.82 -1.47 3.99 -2.24 -0.96 -4.81 114.28 108.34 1xsj n THR 275 Ca -0.03 0.21 0.19 0.00 -2.27 0.00 0.00 64.05 62.15 1xsj n THR 275 Cb 0.65 -0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1xsj n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsj n SER 276 N -1.41 -8.44 0.00 3.42 7.64 -1.26 -4.70 113.62 108.87 1xsj n SER 276 Ca 0.05 1.52 0.00 0.00 1.01 0.00 0.00 58.87 61.45 1xsj n SER 276 Cb 0.15 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 1xsj n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsj n PHE 277 N -4.18 0.00 -0.53 1.43 7.35 -0.38 -4.54 117.46 116.62 1xsj n PHE 277 Ca 0.01 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.80 1xsj n PHE 277 Cb 0.64 -0.19 0.33 0.00 0.35 0.00 0.00 39.48 40.61 1xsj n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsj n THR 278 N -2.03 1.54 -1.11 -2.13 -2.24 -0.40 -4.59 114.28 103.31 1xsj n THR 278 Ca 0.00 -1.15 -0.28 0.00 -2.27 0.00 0.00 64.05 60.35 1xsj n THR 278 Cb 0.00 0.26 0.19 0.00 -2.10 0.00 0.00 70.33 68.68 1xsj n THR 278 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xsj s THR 279 N -1.56 1.99 0.23 4.28 -4.23 -1.26 -4.97 115.64 110.12 1xsj s THR 279 Ca 0.48 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.73 1xsj s THR 279 Cb 0.29 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.59 1xsj s THR 279 CO 0.26 0.00 0.86 0.20 -0.54 0.00 0.00 174.62 175.40 1xsj s ASN 280 N -3.39 7.44 -0.10 3.99 0.02 -1.26 -5.03 114.94 116.60 1xsj s ASN 280 Ca 0.66 1.76 -0.22 0.00 -1.02 0.00 0.00 52.86 54.04 1xsj s ASN 280 Cb -0.19 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.59 1xsj s ASN 280 CO 0.58 0.12 0.53 -0.72 0.02 0.00 0.00 177.10 177.64 1xsj s TYR 281 N -1.28 -0.51 0.00 2.20 1.13 -1.26 -5.02 117.35 112.61 1xsj s TYR 281 Ca 0.41 1.04 0.00 0.00 -1.41 0.00 0.00 57.07 57.11 1xsj s TYR 281 Cb -0.23 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1xsj s TYR 281 CO 0.27 -0.42 0.00 -0.40 -2.51 0.00 0.00 175.55 172.49 1xsj n ASP 282 N 1.75 0.00 -0.16 -0.18 3.85 -1.26 -4.97 116.55 115.58 1xsj n ASP 282 Ca -0.18 -0.87 -0.08 0.00 -0.71 0.00 0.00 54.79 52.96 1xsj n ASP 282 Cb 0.56 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.35 1xsj n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1xsj h GLU 283 N 0.00 0.66 -0.66 0.11 4.81 -2.00 -2.40 114.58 115.10 1xsj h GLU 283 Ca 0.00 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1xsj h GLU 283 Cb 0.00 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 1xsj h GLU 283 CO 0.00 0.49 0.35 0.00 -0.73 0.00 0.00 179.01 179.12 1xsj h ALA 284 N 1.13 0.89 -0.21 2.92 0.00 -1.97 -0.18 119.26 121.83 1xsj h ALA 284 Ca 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xsj h ALA 284 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xsj h ALA 284 CO -0.03 0.01 0.11 1.15 0.00 0.00 0.00 179.25 180.49 1xsj h THR 285 N 0.65 1.11 0.30 0.00 2.02 -1.89 -0.08 112.91 115.01 1xsj h THR 285 Ca 0.30 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1xsj h THR 285 Cb 0.22 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1xsj h THR 285 CO -0.20 0.10 -0.16 0.58 0.37 0.00 0.00 175.52 176.21 1xsj h VAL 286 N 0.23 0.67 -1.00 3.16 2.07 -1.15 -2.19 116.25 118.04 1xsj h VAL 286 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.70 1xsj h VAL 286 Cb 0.06 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1xsj h VAL 286 CO -0.01 0.00 0.64 0.78 0.02 0.00 0.00 177.57 178.99 1xsj h ASN 287 N -0.43 0.95 -0.66 0.57 2.35 -0.95 0.81 115.58 118.22 1xsj h ASN 287 Ca -0.04 0.04 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1xsj h ASN 287 Cb 0.34 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1xsj h ASN 287 CO 0.05 0.53 0.44 -1.28 -1.65 0.00 0.00 177.43 175.52 1xsj h SER 288 N 1.04 0.46 0.07 5.81 0.87 -0.58 0.12 113.55 121.34 1xsj h SER 288 Ca 0.48 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.88 1xsj h SER 288 Cb 0.42 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1xsj h SER 288 CO -0.25 0.28 -0.86 -0.26 -0.53 0.00 0.00 176.83 175.21 1xsj h PHE 289 N 0.52 0.27 0.06 2.24 0.04 -0.29 -1.60 116.94 118.18 1xsj h PHE 289 Ca 0.30 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.89 1xsj h PHE 289 Cb 0.50 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1xsj h PHE 289 CO -0.00 1.34 -0.09 0.82 -0.60 0.00 0.00 178.31 179.77 1xsj h ILE 290 N -0.63 0.77 -0.38 -0.55 2.04 -1.06 -0.99 117.51 116.71 1xsj h ILE 290 Ca -0.19 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1xsj h ILE 290 Cb 1.45 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1xsj h ILE 290 CO 0.02 0.00 0.24 0.44 0.00 0.00 0.00 178.15 178.85 1xsj h ASP 291 N -0.19 0.40 -0.08 1.72 3.32 -0.87 -1.31 116.42 119.41 1xsj h ASP 291 Ca 0.02 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1xsj h ASP 291 Cb 0.21 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1xsj h ASP 291 CO -0.05 0.29 -0.02 1.23 -1.72 0.00 0.00 179.24 178.97 1xsj h GLY 292 N 0.49 0.29 0.66 2.75 0.00 -1.11 0.40 103.07 106.54 1xsj h GLY 292 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xsj h GLY 292 CO -0.05 0.14 -0.12 -0.33 0.00 0.00 0.00 176.54 176.18 1xsj h MET 293 N 0.26 -0.33 -0.44 4.80 2.86 -0.68 -2.93 114.93 118.47 1xsj h MET 293 Ca 0.06 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 1xsj h MET 293 Cb 0.22 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 31.87 1xsj h MET 293 CO 0.01 -0.01 -0.18 0.00 1.06 0.00 0.00 176.91 177.79 1xsj h ALA 294 N -0.07 0.17 0.00 6.32 0.00 -0.68 -1.32 119.26 123.67 1xsj h ALA 294 Ca -0.04 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xsj h ALA 294 Cb 0.48 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xsj h ALA 294 CO 0.06 -0.53 -0.01 0.93 0.00 0.00 0.00 179.25 179.70 1xsj h GLU 295 N -0.09 0.00 -0.51 0.00 5.08 -1.00 -0.45 114.58 117.61 1xsj h GLU 295 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xsj h GLU 295 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xsj h GLU 295 CO -0.50 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.06 1xsj n ARG 296 N -3.15 2.55 -3.68 2.33 1.74 -0.70 -4.96 116.66 110.79 1xsj n ARG 296 Ca -0.02 -2.37 -0.21 0.00 -0.77 0.00 0.00 57.85 54.48 1xsj n ARG 296 Cb 0.16 -1.53 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1xsj n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xsj n ASN 297 N 1.50 -1.31 -4.19 0.55 3.02 -0.18 -4.99 115.26 109.66 1xsj n ASN 297 Ca 0.21 -0.80 -0.36 0.00 -0.03 0.00 0.00 54.58 53.61 1xsj n ASN 297 Cb 0.60 -4.15 -0.13 0.00 -0.61 0.00 0.00 39.78 35.48 1xsj n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsj s LEU 298 N -6.66 4.03 0.34 3.41 1.43 -0.58 -4.92 118.68 115.73 1xsj s LEU 298 Ca 0.02 -1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 51.57 1xsj s LEU 298 Cb -0.01 -1.75 -0.12 0.00 0.03 0.00 0.00 46.19 44.34 1xsj s LEU 298 CO 0.80 -0.28 1.40 -2.65 0.23 0.00 0.00 176.35 175.85 1xsj n PRO 299 N 4.66 2.39 -3.79 1.29 -0.02 -1.26 -4.20 135.00 134.07 1xsj n PRO 299 Ca -0.13 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1xsj n PRO 299 Cb 0.44 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 1xsj n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsj s LEU 300 N -1.30 1.13 0.00 2.45 1.98 -1.26 -4.80 118.68 116.88 1xsj s LEU 300 Ca 0.56 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 52.00 1xsj s LEU 300 Cb -0.53 0.24 0.00 0.00 0.66 0.00 0.00 46.19 46.56 1xsj s LEU 300 CO 0.61 -0.10 0.00 1.41 -1.89 0.00 0.00 176.35 176.38 1xsj n HIS 301 N 3.80 0.00 -3.78 5.38 8.25 -0.24 -4.87 115.22 123.76 1xsj n HIS 301 Ca -0.22 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.09 1xsj n HIS 301 Cb 0.54 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.49 1xsj n HIS 301 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xsj s VAL 302 N -1.83 -0.05 -0.06 1.59 1.01 -0.76 -1.54 120.40 118.75 1xsj s VAL 302 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1xsj s VAL 302 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 1xsj s VAL 302 CO 0.00 0.08 -0.18 0.12 0.00 0.00 0.00 175.10 175.12 1xsj s PHE 303 N 0.93 2.61 -0.08 5.22 5.36 0.10 -0.64 117.98 131.48 1xsj s PHE 303 Ca -0.08 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 55.53 1xsj s PHE 303 Cb -0.11 -1.64 -0.00 0.00 -0.34 0.00 0.00 43.02 40.92 1xsj s PHE 303 CO -0.03 -0.00 -0.23 -1.58 -1.46 0.00 0.00 175.22 171.92 1xsj s HIS 304 N -0.40 2.40 -0.33 10.12 5.65 0.31 -1.17 115.29 131.87 1xsj s HIS 304 Ca 0.04 -0.88 -0.15 0.00 0.25 0.00 0.00 55.06 54.32 1xsj s HIS 304 Cb -0.12 -1.60 -0.02 0.00 -1.18 0.00 0.00 32.58 29.66 1xsj s HIS 304 CO 0.02 -0.33 0.36 -0.06 -0.65 0.00 0.00 174.74 174.07 1xsj s PHE 305 N 0.18 3.21 0.00 3.88 0.08 -0.46 -2.26 117.98 122.62 1xsj s PHE 305 Ca -0.13 0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1xsj s PHE 305 Cb -0.16 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1xsj s PHE 305 CO 0.07 -0.39 0.00 -3.47 -0.10 0.00 0.00 175.22 171.33 1xsj n ASP 306 N 5.36 0.00 -0.31 1.36 2.03 -1.26 -1.59 116.55 122.15 1xsj n ASP 306 Ca -0.09 -1.00 0.22 0.00 0.52 0.00 0.00 54.79 54.45 1xsj n ASP 306 Cb 0.50 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.42 1xsj n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xsj n PHE 308 N -4.58 0.00 0.21 0.00 3.72 -1.26 -2.04 117.46 113.51 1xsj n PHE 308 Ca 0.24 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.73 1xsj n PHE 308 Cb 0.85 -0.05 0.40 0.00 -0.94 0.00 0.00 39.48 39.74 1xsj n PHE 308 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 1xsj h TRP 309 N 0.09 0.00 -2.42 1.38 5.08 -1.71 -3.44 115.95 114.92 1xsj h TRP 309 Ca 0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1xsj h TRP 309 Cb 0.27 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.40 1xsj h TRP 309 CO 0.00 0.27 -0.47 -1.64 -1.28 0.00 0.00 178.44 175.31 1xsj s MET 310 N -3.58 3.33 0.32 0.12 -1.94 -0.86 -0.23 119.30 116.45 1xsj s MET 310 Ca 0.01 -0.73 -0.29 0.00 -1.71 0.00 0.00 55.69 52.97 1xsj s MET 310 Cb 0.10 -2.86 -0.11 0.00 2.01 0.00 0.00 34.83 33.97 1xsj s MET 310 CO 0.65 0.47 1.50 0.15 -0.01 0.00 0.00 175.02 177.79 1xsj s LYS 311 N -3.53 4.16 0.23 2.03 1.02 -1.26 -4.75 119.74 117.64 1xsj s LYS 311 Ca 0.34 2.50 -0.30 0.00 0.02 0.00 0.00 55.97 58.52 1xsj s LYS 311 Cb -0.10 -3.02 -0.15 0.00 -0.52 0.00 0.00 37.83 34.04 1xsj s LYS 311 CO 0.28 -0.52 1.01 0.00 -0.92 0.00 0.00 175.35 175.20 1xsj n ALA 312 N 1.42 -0.83 -0.65 5.17 0.00 -1.26 -1.90 120.51 122.46 1xsj n ALA 312 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1xsj n ALA 312 Cb 0.39 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1xsj n ALA 312 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xsj n PHE 313 N 0.73 0.00 -0.94 0.00 3.72 -1.26 -4.80 117.46 114.91 1xsj n PHE 313 Ca 0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.62 1xsj n PHE 313 Cb 0.28 -0.31 0.22 0.00 -0.94 0.00 0.00 39.48 38.73 1xsj n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsj n GLN 314 N -2.00 2.59 -2.12 -1.08 6.02 -0.80 -3.87 117.38 116.12 1xsj n GLN 314 Ca 0.00 -2.72 -0.35 0.00 -0.01 0.00 0.00 57.00 53.92 1xsj n GLN 314 Cb 0.00 -1.72 0.02 0.00 1.02 0.00 0.00 30.24 29.55 1xsj n GLN 314 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xsj s TRP 315 N -2.69 2.52 -0.55 1.08 0.51 -1.26 -2.52 118.94 116.03 1xsj s TRP 315 Ca 0.38 1.53 -0.15 0.00 -2.12 0.00 0.00 56.10 55.74 1xsj s TRP 315 Cb 0.31 -3.39 0.02 0.00 -0.81 0.00 0.00 33.47 29.60 1xsj s TRP 315 CO 0.08 -1.91 0.29 0.00 -0.51 0.00 0.00 176.95 174.90 1xsj n ASP 317 N -0.45 1.53 -0.15 0.00 5.75 -1.05 -4.73 116.55 117.44 1xsj n ASP 317 Ca -0.05 -1.26 -0.02 0.00 -0.01 0.00 0.00 54.79 53.44 1xsj n ASP 317 Cb 0.25 0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.67 1xsj n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsj n PHE 318 N 0.04 0.00 -3.59 2.11 3.72 -1.26 -5.01 117.46 113.46 1xsj n PHE 318 Ca 0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.08 1xsj n PHE 318 Cb 0.27 -1.10 -0.11 0.00 -0.94 0.00 0.00 39.48 37.60 1xsj n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsj s GLU 319 N -1.30 3.91 0.50 -1.08 0.41 -1.26 -5.06 118.70 114.83 1xsj s GLU 319 Ca 0.00 -0.34 -0.23 0.00 -0.41 0.00 0.00 54.97 53.98 1xsj s GLU 319 Cb 0.00 -3.65 -0.07 0.00 -1.78 0.00 0.00 34.13 28.63 1xsj s GLU 319 CO 0.00 -0.19 1.34 0.91 -0.49 0.00 0.00 175.26 176.83 1xsj n TRP 320 N 5.06 2.30 -2.17 1.61 7.02 -1.26 -4.12 117.44 125.87 1xsj n TRP 320 Ca -0.14 0.45 -0.43 0.00 -1.02 0.00 0.00 57.50 56.36 1xsj n TRP 320 Cb 0.52 -2.38 -0.02 0.00 -2.42 0.00 0.00 31.31 27.00 1xsj n TRP 320 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1xsj s ASP 321 N -0.73 6.37 0.47 -0.99 -1.08 0.69 -4.79 116.67 116.59 1xsj s ASP 321 Ca 0.67 1.44 0.22 0.00 -0.52 0.00 0.00 52.55 54.36 1xsj s ASP 321 Cb -0.44 -2.53 1.16 0.00 -1.46 0.00 0.00 42.92 39.64 1xsj s ASP 321 CO 0.53 -1.30 1.97 -0.65 0.52 0.00 0.00 175.17 176.24 1xsj h PRO 322 N 10.74 0.00 0.00 4.34 0.11 -1.91 0.45 132.00 145.73 1xsj h PRO 322 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1xsj h PRO 322 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1xsj h PRO 322 CO 1.02 0.20 -0.66 -0.07 -0.21 0.00 0.00 178.00 178.28 1xsj h LEU 323 N 0.00 0.00 0.00 2.35 3.38 -1.98 -3.15 115.31 115.91 1xsj h LEU 323 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1xsj h LEU 323 Cb 0.47 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1xsj h LEU 323 CO 0.03 0.06 -2.31 0.41 0.09 0.00 0.00 178.44 176.71 1xsj n THR 324 N -2.86 1.32 -3.45 0.22 -1.04 -0.96 -4.75 114.28 102.75 1xsj n THR 324 Ca 0.01 -0.78 -0.27 0.00 -2.04 0.00 0.00 64.05 60.97 1xsj n THR 324 Cb 0.57 -0.59 -0.10 0.00 -1.82 0.00 0.00 70.33 68.39 1xsj n THR 324 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1xsj s PHE 325 N -2.46 1.30 -0.78 -1.42 0.08 0.16 -3.85 117.98 111.00 1xsj s PHE 325 Ca -0.12 -2.37 0.26 0.00 0.12 0.00 0.00 56.93 54.82 1xsj s PHE 325 Cb 0.06 -1.09 0.93 0.00 -0.57 0.00 0.00 43.02 42.35 1xsj s PHE 325 CO 0.76 -0.80 1.79 -0.35 -0.10 0.00 0.00 175.22 176.51 1xsj n PRO 326 N 2.86 0.18 -3.33 0.24 -0.05 -1.19 -4.17 135.00 129.53 1xsj n PRO 326 Ca 0.27 0.19 -0.26 0.00 -0.05 0.00 0.00 63.50 63.66 1xsj n PRO 326 Cb 0.46 -1.72 -0.09 0.00 -0.05 0.00 0.00 33.50 32.10 1xsj n PRO 326 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1xsj n ASP 327 N -2.04 0.08 -0.08 3.54 2.03 -1.26 -5.02 116.55 113.80 1xsj n ASP 327 Ca 0.05 -2.58 -0.11 0.00 0.52 0.00 0.00 54.79 52.68 1xsj n ASP 327 Cb 0.37 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 1xsj n ASP 327 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xsj h PRO 328 N 4.88 0.41 -0.63 -0.67 0.11 -1.99 -1.36 132.00 132.76 1xsj h PRO 328 Ca 0.18 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1xsj h PRO 328 Cb 0.88 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1xsj h PRO 328 CO 0.44 0.55 0.36 1.49 -0.21 0.00 0.00 178.00 180.63 1xsj h GLU 329 N 0.22 0.87 -0.38 1.05 4.81 -1.95 -2.05 114.58 117.14 1xsj h GLU 329 Ca 0.07 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1xsj h GLU 329 Cb 0.34 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1xsj h GLU 329 CO 0.01 0.64 -0.02 0.78 -0.73 0.00 0.00 179.01 179.68 1xsj h GLY 330 N 0.85 0.73 0.56 1.92 0.00 -1.93 -1.46 103.07 103.75 1xsj h GLY 330 Ca 0.22 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1xsj h GLY 330 CO -0.04 0.51 -0.19 1.98 0.00 0.00 0.00 176.54 178.80 1xsj h MET 331 N 0.49 -0.31 -0.03 4.80 1.85 -1.14 0.72 114.93 121.31 1xsj h MET 331 Ca 0.10 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.14 1xsj h MET 331 Cb 0.50 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 1xsj h MET 331 CO 0.02 -0.20 -0.32 -0.84 -0.40 0.00 0.00 176.91 175.17 1xsj h ILE 332 N -0.32 1.24 -0.06 1.77 -0.00 -1.31 -0.60 117.51 118.24 1xsj h ILE 332 Ca 0.05 -1.16 -0.01 0.00 -0.00 0.00 0.00 64.86 63.75 1xsj h ILE 332 Cb 0.38 1.58 -0.00 0.00 -0.00 0.00 0.00 36.82 38.78 1xsj h ILE 332 CO -0.17 0.34 0.01 -0.09 -0.00 0.00 0.00 178.15 178.24 1xsj h ARG 333 N 0.06 0.09 -0.41 0.16 2.43 -0.78 -0.51 114.38 115.41 1xsj h ARG 333 Ca 0.01 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1xsj h ARG 333 Cb 0.60 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1xsj h ARG 333 CO 0.04 0.33 0.11 0.00 -1.51 0.00 0.00 179.97 178.94 1xsj h ARG 334 N -0.15 0.24 -0.00 0.20 3.08 -0.33 -2.70 114.38 114.71 1xsj h ARG 334 Ca 0.02 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1xsj h ARG 334 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xsj h ARG 334 CO 0.00 0.16 -0.48 -0.07 -1.07 0.00 0.00 179.97 178.51 1xsj h LEU 335 N 0.25 0.00 -0.76 3.04 3.38 -0.95 -2.97 115.31 117.30 1xsj h LEU 335 Ca 0.20 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1xsj h LEU 335 Cb 0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xsj h LEU 335 CO -0.24 0.48 -0.43 0.50 0.09 0.00 0.00 178.44 178.84 1xsj h LYS 336 N 0.00 0.41 -0.98 1.13 3.64 -0.92 -3.27 116.57 116.57 1xsj h LYS 336 Ca -0.00 -0.21 0.18 0.00 -1.27 0.00 0.00 60.65 59.35 1xsj h LYS 336 Cb 0.86 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.59 1xsj h LYS 336 CO 0.06 0.77 0.61 0.00 -2.27 0.00 0.00 179.45 178.63 1xsj h ALA 337 N 1.20 1.78 0.00 5.00 0.00 -1.31 0.70 119.26 126.63 1xsj h ALA 337 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xsj h ALA 337 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xsj h ALA 337 CO 0.08 -0.12 0.11 0.87 0.00 0.00 0.00 179.25 180.19 1xsj h LYS 338 N 0.71 0.00 0.00 0.00 1.57 -1.70 -3.45 116.57 113.70 1xsj h LYS 338 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1xsj h LYS 338 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1xsj h LYS 338 CO -0.32 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.97 1xsj n GLY 339 N -1.15 0.58 3.75 3.86 0.00 0.24 -5.08 105.19 107.39 1xsj n GLY 339 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1xsj n GLY 339 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsj n LEU 340 N 0.00 4.45 -4.88 0.99 4.77 -1.24 -5.00 117.00 116.10 1xsj n LEU 340 Ca 0.00 1.21 -0.33 0.00 -0.03 0.00 0.00 56.01 56.87 1xsj n LEU 340 Cb 0.00 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 39.46 1xsj n LEU 340 CO 0.00 -0.06 0.15 -0.54 -1.33 0.00 0.00 177.39 175.61 1xsj s LYS 341 N -2.07 3.77 -0.11 3.23 -0.14 -0.59 -4.49 119.74 119.34 1xsj s LYS 341 Ca 0.55 0.19 0.03 0.00 -1.36 0.00 0.00 55.97 55.38 1xsj s LYS 341 Cb -0.50 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 1xsj s LYS 341 CO 0.63 0.41 -0.22 0.42 -0.76 0.00 0.00 175.35 175.82 1xsj s ILE 342 N -1.67 1.97 0.06 2.17 1.09 -1.26 -0.72 121.20 122.83 1xsj s ILE 342 Ca 0.43 -0.96 0.06 0.00 -1.10 0.00 0.00 60.65 59.08 1xsj s ILE 342 Cb -0.12 -1.72 -0.04 0.00 -1.06 0.00 0.00 42.46 39.53 1xsj s ILE 342 CO 0.21 0.54 -0.12 0.00 -0.10 0.00 0.00 174.94 175.47 1xsj s VAL 344 N -1.07 1.03 0.17 0.00 -7.23 -1.16 -1.35 120.40 110.79 1xsj s VAL 344 Ca 0.18 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.01 1xsj s VAL 344 Cb -0.11 -0.95 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 1xsj s VAL 344 CO 0.09 -0.07 1.31 0.86 -0.31 0.00 0.00 175.10 176.98 1xsj s TRP 345 N -0.95 3.28 0.24 2.82 -0.00 -0.62 -1.46 118.94 122.24 1xsj s TRP 345 Ca -0.00 1.18 0.01 0.00 -0.00 0.00 0.00 56.10 57.29 1xsj s TRP 345 Cb -0.08 -3.60 -0.05 0.00 -0.00 0.00 0.00 33.47 29.74 1xsj s TRP 345 CO 0.01 -1.90 0.10 0.96 -0.00 0.00 0.00 176.95 176.12 1xsj s ILE 346 N 0.38 0.43 0.32 5.86 -4.36 -0.63 -4.90 121.20 118.30 1xsj s ILE 346 Ca 0.58 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.84 1xsj s ILE 346 Cb -0.36 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 40.81 1xsj s ILE 346 CO 0.36 -0.04 0.63 0.54 0.24 0.00 0.00 174.94 176.68 1xsj s ASN 347 N -3.27 0.15 -0.37 4.36 4.22 -1.26 -1.91 114.94 116.86 1xsj s ASN 347 Ca 0.37 -1.08 0.05 0.00 -2.14 0.00 0.00 52.86 50.07 1xsj s ASN 347 Cb 0.08 0.73 0.63 0.00 1.28 0.00 0.00 41.25 43.96 1xsj s ASN 347 CO 0.13 -1.41 1.79 -0.81 -2.04 0.00 0.00 177.10 174.76 1xsj n PRO 348 N -0.49 2.57 -4.40 3.55 -0.04 -1.26 -4.79 135.00 130.13 1xsj n PRO 348 Ca -0.04 -2.74 -0.20 0.00 -0.04 0.00 0.00 63.50 60.48 1xsj n PRO 348 Cb 0.61 -2.09 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 1xsj n PRO 348 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xsj s TYR 349 N -2.91 1.90 -0.09 0.54 2.02 -1.26 -1.87 117.35 115.68 1xsj s TYR 349 Ca 0.51 -0.62 -0.04 0.00 -0.37 0.00 0.00 57.07 56.55 1xsj s TYR 349 Cb 0.42 -0.99 0.05 0.00 -0.40 0.00 0.00 41.96 41.04 1xsj s TYR 349 CO 0.11 0.35 0.19 -1.50 -1.57 0.00 0.00 175.55 173.13 1xsj s ILE 350 N -2.95 -0.22 0.41 2.71 1.10 0.09 -3.52 121.20 118.82 1xsj s ILE 350 Ca 0.27 0.27 -0.24 0.00 -0.51 0.00 0.00 60.65 60.44 1xsj s ILE 350 Cb 0.01 -0.33 -0.09 0.00 0.15 0.00 0.00 42.46 42.21 1xsj s ILE 350 CO 0.10 0.11 1.10 -0.83 -2.11 0.00 0.00 174.94 173.32 1xsj s GLY 351 N 1.92 2.79 0.44 1.50 0.00 -1.00 -1.00 107.32 111.97 1xsj s GLY 351 Ca -0.02 0.82 0.21 0.00 0.00 0.00 0.00 44.72 45.73 1xsj s GLY 351 CO -0.07 1.28 1.91 -1.61 0.00 0.00 0.00 173.10 174.61 1xsj h GLN 352 N 2.49 0.00 -0.10 2.90 4.15 -1.20 -2.88 115.11 120.47 1xsj h GLN 352 Ca -0.49 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 1xsj h GLN 352 Cb 1.23 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1xsj h GLN 352 CO 0.62 0.25 0.03 -0.22 -1.93 0.00 0.00 178.83 177.58 1xsj h LYS 353 N 0.00 0.13 -6.54 1.69 3.64 -1.78 -3.44 116.57 110.27 1xsj h LYS 353 Ca -0.00 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 1xsj h LYS 353 Cb 0.58 -0.03 0.06 0.00 -0.41 0.00 0.00 32.23 32.43 1xsj h LYS 353 CO 0.03 0.13 0.86 0.45 -2.27 0.00 0.00 179.45 178.65 1xsj n SER 354 N -4.48 3.34 0.03 4.20 2.88 -1.09 -4.86 113.62 113.64 1xsj n SER 354 Ca -0.01 1.07 0.22 0.00 -1.33 0.00 0.00 58.87 58.82 1xsj n SER 354 Cb 0.12 -1.46 0.70 0.00 -0.75 0.00 0.00 64.21 62.81 1xsj n SER 354 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1xsj h PRO 355 N 6.22 0.00 0.00 -1.46 0.11 -1.92 -0.64 132.00 134.31 1xsj h PRO 355 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1xsj h PRO 355 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1xsj h PRO 355 CO 0.91 0.00 -0.25 0.28 -0.21 0.00 0.00 178.00 178.72 1xsj h VAL 356 N 0.00 0.49 -0.16 3.15 2.07 -1.93 -3.30 116.25 116.57 1xsj h VAL 356 Ca 0.25 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1xsj h VAL 356 Cb 1.41 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 1xsj h VAL 356 CO -0.00 0.25 -0.15 0.15 0.02 0.00 0.00 177.57 177.84 1xsj h PHE 357 N 0.00 -0.37 -0.92 1.57 3.04 -1.39 -1.04 116.94 117.82 1xsj h PHE 357 Ca -0.00 0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.10 1xsj h PHE 357 Cb 1.01 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.64 1xsj h PHE 357 CO 0.00 -0.22 0.59 -0.22 -2.02 0.00 0.00 178.31 176.45 1xsj h LYS 358 N -0.16 0.81 -0.35 1.11 3.64 -1.73 -1.22 116.57 118.67 1xsj h LYS 358 Ca 0.11 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1xsj h LYS 358 Cb 0.32 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1xsj h LYS 358 CO -0.26 0.54 -0.06 1.49 -2.27 0.00 0.00 179.45 178.88 1xsj h GLU 359 N 0.84 0.66 -0.70 1.90 4.81 -1.40 -1.69 114.58 119.00 1xsj h GLU 359 Ca 0.45 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1xsj h GLU 359 Cb 0.56 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1xsj h GLU 359 CO -0.22 0.81 0.16 -0.07 -0.73 0.00 0.00 179.01 178.97 1xsj h LEU 360 N 0.45 1.07 0.17 1.64 3.38 -0.63 -0.79 115.31 120.60 1xsj h LEU 360 Ca 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1xsj h LEU 360 Cb 0.56 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xsj h LEU 360 CO 0.03 1.03 -0.08 -0.61 0.09 0.00 0.00 178.44 178.90 1xsj h GLN 361 N 1.07 -0.22 -0.84 1.13 4.15 -1.11 0.24 115.11 119.53 1xsj h GLN 361 Ca 0.22 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.75 1xsj h GLN 361 Cb 0.39 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.05 1xsj h GLN 361 CO 0.00 0.04 0.49 0.93 -1.93 0.00 0.00 178.83 178.36 1xsj h GLU 362 N -0.46 0.79 0.00 1.69 5.08 -1.22 -2.29 114.58 118.16 1xsj h GLU 362 Ca -0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xsj h GLU 362 Cb 0.36 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xsj h GLU 362 CO 0.04 0.52 -0.01 0.87 -1.00 0.00 0.00 179.01 179.43 1xsj h LYS 363 N 0.81 0.00 0.00 2.33 1.57 -0.91 -3.47 116.57 116.90 1xsj h LYS 363 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1xsj h LYS 363 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xsj h LYS 363 CO -0.25 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.05 1xsj n GLY 364 N 0.85 0.87 0.22 3.86 0.00 0.73 -4.95 105.19 106.76 1xsj n GLY 364 Ca 0.03 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1xsj n GLY 364 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xsj n TYR 365 N -2.95 0.00 -4.05 1.61 4.01 -0.51 -4.93 117.16 110.34 1xsj n TYR 365 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1xsj n TYR 365 Cb 0.29 -0.14 -0.06 0.00 -0.31 0.00 0.00 39.34 39.12 1xsj n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsj s LEU 366 N -2.51 3.84 0.10 7.72 1.43 -1.26 -1.76 118.68 126.23 1xsj s LEU 366 Ca 0.25 -0.02 -0.33 0.00 -1.03 0.00 0.00 54.13 53.00 1xsj s LEU 366 Cb 0.19 -2.50 -0.12 0.00 0.03 0.00 0.00 46.19 43.79 1xsj s LEU 366 CO 0.52 0.15 1.75 -0.11 0.23 0.00 0.00 176.35 178.88 1xsj n LEU 367 N 0.25 3.59 -4.72 1.79 7.94 0.27 -4.72 117.00 121.40 1xsj n LEU 367 Ca -0.08 1.02 -0.29 0.00 -1.11 0.00 0.00 56.01 55.55 1xsj n LEU 367 Cb 0.52 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.93 1xsj n LEU 367 CO 0.44 -0.03 -0.30 -0.54 -1.11 0.00 0.00 177.39 175.85 1xsj s LYS 368 N 2.25 2.66 0.79 1.96 1.02 -1.26 -1.51 119.74 125.65 1xsj s LYS 368 Ca 0.82 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 1xsj s LYS 368 Cb -0.60 -2.57 0.06 0.00 -0.52 0.00 0.00 37.83 34.20 1xsj s LYS 368 CO 0.40 0.53 1.09 1.03 -0.92 0.00 0.00 175.35 177.48 1xsj s ARG 369 N -2.53 2.17 0.66 1.68 0.52 0.19 -0.96 118.95 120.69 1xsj s ARG 369 Ca 0.28 0.69 0.41 0.00 -0.52 0.00 0.00 55.73 56.58 1xsj s ARG 369 Cb -0.11 -1.92 2.25 0.00 0.52 0.00 0.00 34.95 35.68 1xsj s ARG 369 CO 0.20 -1.57 2.29 -1.35 0.02 0.00 0.00 175.30 174.89 1xsj h PRO 370 N -1.05 0.00 -0.01 3.54 0.11 -1.84 -0.19 132.00 132.56 1xsj h PRO 370 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xsj h PRO 370 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xsj h PRO 370 CO 0.59 0.00 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.91 1xsj n ASP 371 N -3.13 0.72 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.58 1xsj n ASP 371 Ca -0.03 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.31 1xsj n ASP 371 Cb 0.13 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1xsj n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsj n GLY 372 N 1.20 1.67 3.77 6.12 0.00 -0.08 -5.07 105.19 112.80 1xsj n GLY 372 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1xsj n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsj s SER 373 N -1.53 4.06 0.33 1.61 1.04 -1.26 -4.77 113.70 113.18 1xsj s SER 373 Ca 0.00 1.36 -0.28 0.00 0.48 0.00 0.00 55.95 57.51 1xsj s SER 373 Cb 0.00 -2.06 -0.09 0.00 0.10 0.00 0.00 66.02 63.96 1xsj s SER 373 CO 0.00 -2.25 1.16 -0.76 0.98 0.00 0.00 173.24 172.37 1xsj s LEU 374 N -5.95 4.41 -0.01 2.42 1.43 -1.26 -0.63 118.68 119.08 1xsj s LEU 374 Ca 0.62 2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 55.78 1xsj s LEU 374 Cb -0.16 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 1xsj s LEU 374 CO 0.55 -0.38 1.00 0.86 0.23 0.00 0.00 176.35 178.61 1xsj s TRP 375 N -1.25 3.62 -0.01 0.29 -0.00 -0.57 -4.61 118.94 116.41 1xsj s TRP 375 Ca 0.49 1.65 -0.12 0.00 -0.00 0.00 0.00 56.10 58.13 1xsj s TRP 375 Cb -0.33 -3.15 0.02 0.00 -0.00 0.00 0.00 33.47 30.01 1xsj s TRP 375 CO 0.42 -0.14 0.25 -0.65 -0.00 0.00 0.00 176.95 176.84 1xsj s GLN 376 N 1.17 0.59 0.20 5.86 -0.21 -1.26 -4.45 119.66 121.56 1xsj s GLN 376 Ca 0.52 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1xsj s GLN 376 Cb -0.21 0.26 -0.00 0.00 1.00 0.00 0.00 33.01 34.06 1xsj s GLN 376 CO 0.27 -0.15 0.25 -2.67 -2.12 0.00 0.00 175.29 170.86 1xsj n TRP 377 N 1.43 -0.87 -0.04 0.91 2.14 -1.02 -4.95 117.44 115.04 1xsj n TRP 377 Ca -0.21 -1.41 0.08 0.00 2.07 0.00 0.00 57.50 58.02 1xsj n TRP 377 Cb 0.56 0.28 0.19 0.00 -0.81 0.00 0.00 31.31 31.52 1xsj n TRP 377 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1xsj n ASP 378 N -1.95 3.11 -4.79 -0.67 8.00 -1.26 -0.48 116.55 118.51 1xsj n ASP 378 Ca 0.01 -1.92 -0.36 0.00 0.71 0.00 0.00 54.79 53.23 1xsj n ASP 378 Cb 0.34 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1xsj n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsj s LYS 379 N -1.08 4.15 0.00 -1.24 1.02 -1.26 -4.27 119.74 117.06 1xsj s LYS 379 Ca 0.30 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.71 1xsj s LYS 379 Cb 0.16 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1xsj s LYS 379 CO 0.22 -0.14 0.00 1.87 -0.92 0.00 0.00 175.35 176.38 1xsj n TRP 380 N -0.24 0.00 -4.17 3.18 -0.00 -1.26 -4.72 117.44 110.24 1xsj n TRP 380 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.39 1xsj n TRP 380 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.70 1xsj n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsj s GLN 381 N 0.00 0.81 0.17 5.87 -1.52 -1.26 -5.01 119.66 118.71 1xsj s GLN 381 Ca 0.00 -0.98 -0.31 0.00 -1.95 0.00 0.00 55.36 52.12 1xsj s GLN 381 Cb 0.00 -0.74 -0.10 0.00 -0.22 0.00 0.00 33.01 31.96 1xsj s GLN 381 CO 0.00 0.15 1.53 -2.14 -0.25 0.00 0.00 175.29 174.58 1xsj s PRO 382 N -1.93 4.24 -1.47 2.91 0.02 -1.26 -2.82 135.00 134.69 1xsj s PRO 382 Ca -0.01 2.31 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 1xsj s PRO 382 Cb -0.09 -3.16 0.05 0.00 0.02 0.00 0.00 34.50 31.33 1xsj s PRO 382 CO 0.02 -0.56 0.87 0.41 -0.33 0.00 0.00 177.00 177.41 1xsj n GLY 383 N 3.49 -0.51 3.72 0.52 0.00 -1.16 -1.28 105.19 109.96 1xsj n GLY 383 Ca 0.12 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1xsj n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsj n LEU 384 N -4.46 3.91 -4.56 0.99 0.00 0.37 -3.41 117.00 109.85 1xsj n LEU 384 Ca -0.00 1.09 -0.26 0.00 0.00 0.00 0.00 56.01 56.84 1xsj n LEU 384 Cb 0.55 -1.55 -0.10 0.00 0.00 0.00 0.00 43.42 42.32 1xsj n LEU 384 CO 0.64 0.06 -0.37 0.00 0.00 0.00 0.00 177.39 177.72 1xsj s ALA 385 N 0.74 3.00 -0.12 1.96 0.00 -0.17 -2.42 121.76 124.74 1xsj s ALA 385 Ca 0.72 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1xsj s ALA 385 Cb -0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1xsj s ALA 385 CO 0.39 0.09 -0.13 0.42 0.00 0.00 0.00 175.76 176.52 1xsj s ILE 386 N -2.59 3.03 0.01 0.00 1.01 -1.26 -0.73 121.20 120.67 1xsj s ILE 386 Ca 0.33 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 1xsj s ILE 386 Cb 0.02 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 1xsj s ILE 386 CO 0.17 0.53 1.86 -0.31 0.00 0.00 0.00 174.94 177.19 1xsj s TYR 387 N 0.22 1.54 -0.82 3.97 1.51 -0.78 -0.56 117.35 122.42 1xsj s TYR 387 Ca -0.09 -0.23 -0.26 0.00 -1.01 0.00 0.00 57.07 55.49 1xsj s TYR 387 Cb -0.15 -4.13 0.03 0.00 -0.11 0.00 0.00 41.96 37.60 1xsj s TYR 387 CO 0.05 -4.97 1.36 0.34 -1.11 0.00 0.00 175.55 171.23 1xsj s ASP 388 N 4.02 6.22 0.00 2.29 -1.08 -0.72 -4.79 116.67 122.61 1xsj s ASP 388 Ca 0.83 -0.73 0.22 0.00 -0.52 0.00 0.00 52.55 52.35 1xsj s ASP 388 Cb -0.39 -2.56 1.31 0.00 -1.46 0.00 0.00 42.92 39.81 1xsj s ASP 388 CO 0.37 -1.77 1.83 0.49 0.52 0.00 0.00 175.17 176.61 1xsj n PHE 389 N 9.42 0.00 1.04 -5.34 0.99 -1.26 -1.74 117.46 120.57 1xsj n PHE 389 Ca 0.13 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.71 1xsj n PHE 389 Cb 0.50 0.00 0.40 0.00 -1.00 0.00 0.00 39.48 39.38 1xsj n PHE 389 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xsj n THR 390 N -0.85 0.00 -2.97 4.37 -2.24 -1.26 -4.73 114.28 106.60 1xsj n THR 390 Ca 0.16 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.51 1xsj n THR 390 Cb 0.08 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 1xsj n THR 390 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xsj s ASN 391 N -2.94 6.45 0.40 3.42 3.84 -0.71 -4.32 114.94 121.09 1xsj s ASN 391 Ca 0.14 0.05 0.11 0.00 0.21 0.00 0.00 52.86 53.36 1xsj s ASN 391 Cb 0.18 -2.39 0.92 0.00 -0.55 0.00 0.00 41.25 39.41 1xsj s ASN 391 CO 0.62 -0.84 1.96 -0.65 -2.79 0.00 0.00 177.10 175.40 1xsj h PRO 392 N 8.80 0.53 -0.42 0.43 0.11 -1.87 -0.43 132.00 139.15 1xsj h PRO 392 Ca -0.25 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 1xsj h PRO 392 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1xsj h PRO 392 CO 0.94 0.35 -0.25 -0.44 -0.21 0.00 0.00 178.00 178.39 1xsj h ASP 393 N 0.55 0.96 -0.63 -2.05 3.32 -1.94 -1.81 116.42 114.82 1xsj h ASP 393 Ca 0.31 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 1xsj h ASP 393 Cb 0.47 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1xsj h ASP 393 CO -0.10 1.17 0.04 0.00 -1.72 0.00 0.00 179.24 178.63 1xsj h ALA 394 N 0.82 0.84 -0.52 3.45 0.00 -1.56 -1.49 119.26 120.80 1xsj h ALA 394 Ca 0.09 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xsj h ALA 394 Cb 0.83 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xsj h ALA 394 CO 0.07 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.30 1xsj h LYS 396 N 0.64 1.04 -0.68 0.00 3.64 -1.09 0.10 116.57 120.23 1xsj h LYS 396 Ca 0.21 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1xsj h LYS 396 Cb -0.00 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1xsj h LYS 396 CO -0.08 0.82 0.28 2.35 -2.27 0.00 0.00 179.45 180.55 1xsj h TRP 397 N 1.01 1.02 -0.16 1.91 7.01 -1.00 -0.60 115.95 125.14 1xsj h TRP 397 Ca 0.25 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 61.09 1xsj h TRP 397 Cb 0.13 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1xsj h TRP 397 CO 0.01 0.79 -0.21 -0.92 -2.79 0.00 0.00 178.44 175.32 1xsj h TYR 398 N 0.96 0.51 -0.85 2.65 3.20 -1.11 -2.64 116.97 119.70 1xsj h TYR 398 Ca 0.23 -0.17 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1xsj h TYR 398 Cb 0.20 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 1xsj h TYR 398 CO 0.01 0.83 0.47 0.00 -1.64 0.00 0.00 178.16 177.84 1xsj h ALA 399 N 0.59 1.24 -0.52 1.82 0.00 -0.71 -2.55 119.26 119.14 1xsj h ALA 399 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xsj h ALA 399 Cb 0.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xsj h ALA 399 CO 0.05 0.04 0.23 -0.44 0.00 0.00 0.00 179.25 179.13 1xsj h ASP 400 N 0.75 0.69 -0.91 0.00 3.32 -1.01 -0.24 116.42 119.02 1xsj h ASP 400 Ca 0.43 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.40 1xsj h ASP 400 Cb 0.48 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 1xsj h ASP 400 CO -0.29 0.64 0.57 0.11 -1.72 0.00 0.00 179.24 178.55 1xsj h LYS 401 N 0.69 1.00 -0.31 3.56 1.79 -1.25 -0.66 116.57 121.39 1xsj h LYS 401 Ca 0.18 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 1xsj h LYS 401 Cb 0.15 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1xsj h LYS 401 CO -0.02 0.66 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.85 1xsj h LEU 402 N 1.03 0.61 -1.09 2.94 3.38 -1.00 -2.41 115.31 118.77 1xsj h LEU 402 Ca 0.40 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1xsj h LEU 402 Cb 0.19 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1xsj h LEU 402 CO -0.18 0.84 0.61 0.11 0.09 0.00 0.00 178.44 179.92 1xsj h LYS 403 N 0.37 0.85 -0.98 1.13 1.57 -0.60 -1.03 116.57 117.89 1xsj h LYS 403 Ca 0.08 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xsj h LYS 403 Cb 0.58 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1xsj h LYS 403 CO 0.03 0.57 0.65 0.78 -0.57 0.00 0.00 179.45 180.90 1xsj h GLY 404 N 0.88 1.40 1.21 3.86 0.00 -0.66 0.23 103.07 110.00 1xsj h GLY 404 Ca 0.49 -0.50 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 1xsj h GLY 404 CO -0.26 0.47 -0.60 1.41 0.00 0.00 0.00 176.54 177.56 1xsj h LEU 405 N 1.29 0.92 -0.47 3.11 3.38 -0.87 -2.48 115.31 120.19 1xsj h LEU 405 Ca 0.37 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1xsj h LEU 405 Cb -0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1xsj h LEU 405 CO -0.10 1.31 0.28 0.58 0.09 0.00 0.00 178.44 180.60 1xsj h VAL 406 N 0.61 1.15 0.00 1.22 2.07 -0.59 -2.01 116.25 118.70 1xsj h VAL 406 Ca 0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1xsj h VAL 406 Cb 1.20 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1xsj h VAL 406 CO 0.13 0.15 -0.04 0.00 0.02 0.00 0.00 177.57 177.83 1xsj h ALA 407 N 1.13 1.19 -0.01 1.67 0.00 -0.45 0.35 119.26 123.14 1xsj h ALA 407 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xsj h ALA 407 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xsj h ALA 407 CO -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.25 1xsj n MET 408 N -3.41 1.49 0.00 0.00 0.00 -0.81 -4.95 117.12 109.43 1xsj n MET 408 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 57.70 56.89 1xsj n MET 408 Cb 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1xsj n MET 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xsj n GLY 409 N 1.17 0.87 3.71 3.17 0.00 0.12 -4.78 105.19 109.45 1xsj n GLY 409 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xsj n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsj s VAL 410 N -2.00 3.37 -0.12 1.61 1.01 -0.86 -4.68 120.40 118.73 1xsj s VAL 410 Ca 0.00 0.95 0.17 0.00 0.00 0.00 0.00 61.98 63.10 1xsj s VAL 410 Cb 0.00 -3.61 -0.17 0.00 0.00 0.00 0.00 36.38 32.61 1xsj s VAL 410 CO 0.00 0.06 0.72 0.47 0.00 0.00 0.00 175.10 176.35 1xsj n ASP 411 N 4.22 0.73 -3.23 3.32 8.00 -0.03 -4.33 116.55 125.24 1xsj n ASP 411 Ca 0.12 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.84 1xsj n ASP 411 Cb 0.42 0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.84 1xsj n ASP 411 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsj s PHE 413 N -2.88 0.36 -0.55 0.00 0.40 -1.25 -2.99 117.98 111.06 1xsj s PHE 413 Ca 0.21 -0.06 -0.22 0.00 -0.60 0.00 0.00 56.93 56.27 1xsj s PHE 413 Cb -0.03 -0.29 0.06 0.00 0.51 0.00 0.00 43.02 43.26 1xsj s PHE 413 CO 0.14 -0.05 0.81 0.21 0.70 0.00 0.00 175.22 177.03 1xsj s LYS 414 N 0.25 3.20 -0.94 0.44 2.20 -0.54 -1.94 119.74 122.41 1xsj s LYS 414 Ca -0.02 -0.66 -0.23 0.00 -0.36 0.00 0.00 55.97 54.70 1xsj s LYS 414 Cb -0.05 -4.11 0.07 0.00 -1.51 0.00 0.00 37.83 32.22 1xsj s LYS 414 CO -0.00 -1.44 1.33 0.95 -0.36 0.00 0.00 175.35 175.82 1xsj s THR 415 N 3.37 4.10 0.47 3.43 -4.23 -0.40 -1.60 115.64 120.78 1xsj s THR 415 Ca 0.22 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1xsj s THR 415 Cb -0.17 -4.96 -0.01 0.00 1.34 0.00 0.00 72.50 68.71 1xsj s THR 415 CO 0.14 -1.80 0.72 -0.62 -0.54 0.00 0.00 174.62 172.52 1xsj s ASP 416 N 4.44 5.88 0.93 3.99 -1.08 -0.80 -2.22 116.67 127.81 1xsj s ASP 416 Ca 0.40 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 1xsj s ASP 416 Cb -0.03 -1.71 0.00 0.00 -1.46 0.00 0.00 42.92 39.72 1xsj s ASP 416 CO -0.05 -0.73 0.00 0.49 0.52 0.00 0.00 175.17 175.40 1xsj n PHE 417 N -2.18 -0.83 0.00 -5.34 3.01 -1.26 -4.38 117.46 106.48 1xsj n PHE 417 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1xsj n PHE 417 Cb 0.57 0.18 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 1xsj n PHE 417 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xsj n GLY 418 N 0.00 0.54 0.12 1.37 0.00 -1.26 -4.13 105.19 101.83 1xsj n GLY 418 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xsj n GLY 418 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xsj h GLU 419 N 4.69 0.11 -3.67 1.61 3.07 -1.90 -3.37 114.58 115.11 1xsj h GLU 419 Ca 0.00 -0.19 -0.74 0.00 -0.50 0.00 0.00 59.36 57.93 1xsj h GLU 419 Cb 0.00 0.07 -0.11 0.00 -0.84 0.00 0.00 28.75 27.87 1xsj h GLU 419 CO 0.00 1.09 2.46 0.54 -1.40 0.00 0.00 179.01 181.70 1xsj n ARG 420 N -4.10 3.34 -3.36 2.33 1.74 -1.26 -4.58 116.66 110.77 1xsj n ARG 420 Ca -0.30 -3.17 -0.39 0.00 -0.77 0.00 0.00 57.85 53.22 1xsj n ARG 420 Cb 0.81 -3.06 -0.09 0.00 -1.02 0.00 0.00 32.46 29.10 1xsj n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsj s ILE 421 N 1.43 5.15 0.60 0.55 -1.09 -1.26 -5.05 121.20 121.54 1xsj s ILE 421 Ca 0.42 0.65 -0.16 0.00 -2.23 0.00 0.00 60.65 59.33 1xsj s ILE 421 Cb 0.11 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1xsj s ILE 421 CO -0.03 0.15 1.09 -2.16 -1.23 0.00 0.00 174.94 172.75 1xsj s PRO 422 N 2.07 3.15 -0.00 2.79 0.04 -1.26 -4.79 135.00 136.99 1xsj s PRO 422 Ca 0.17 1.35 0.18 0.00 0.04 0.00 0.00 61.00 62.74 1xsj s PRO 422 Cb -0.16 -2.00 -0.20 0.00 0.04 0.00 0.00 34.50 32.18 1xsj s PRO 422 CO 0.10 -0.97 0.76 0.25 0.04 0.00 0.00 177.00 177.17 1xsj n THR 423 N -2.00 0.00 -1.46 1.26 -2.24 -1.26 -4.67 114.28 103.91 1xsj n THR 423 Ca 0.10 -0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 1xsj n THR 423 Cb 0.52 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 1xsj n THR 423 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xsj n ASP 424 N -1.45 7.16 -3.86 3.42 3.85 -1.26 -4.82 116.55 119.59 1xsj n ASP 424 Ca 0.03 -2.86 -0.12 0.00 -0.71 0.00 0.00 54.79 51.13 1xsj n ASP 424 Cb 0.29 -1.39 -0.07 0.00 -1.35 0.00 0.00 41.12 38.60 1xsj n ASP 424 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1xsj s VAL 425 N -0.09 0.00 -0.14 2.12 -7.23 -1.26 -4.47 120.40 109.34 1xsj s VAL 425 Ca 0.62 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1xsj s VAL 425 Cb 0.27 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.81 1xsj s VAL 425 CO -0.10 0.00 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.10 1xsj s GLN 426 N -3.82 0.96 0.40 4.82 0.74 -0.14 -4.71 119.66 117.92 1xsj s GLN 426 Ca 0.32 -0.27 -0.24 0.00 0.05 0.00 0.00 55.36 55.22 1xsj s GLN 426 Cb 0.03 -1.68 -0.09 0.00 1.10 0.00 0.00 33.01 32.37 1xsj s GLN 426 CO 0.14 -0.44 1.10 -1.58 -0.55 0.00 0.00 175.29 173.96 1xsj s TRP 427 N 1.81 3.18 0.30 1.67 0.52 -1.26 -4.06 118.94 121.09 1xsj s TRP 427 Ca 0.02 1.61 0.02 0.00 0.02 0.00 0.00 56.10 57.77 1xsj s TRP 427 Cb -0.15 -3.23 0.74 0.00 -1.15 0.00 0.00 33.47 29.68 1xsj s TRP 427 CO -0.07 -0.91 1.61 0.35 0.02 0.00 0.00 176.95 177.95 1xsj h PHE 428 N 2.55 0.17 -0.46 -1.98 3.57 -1.93 -0.71 116.94 118.14 1xsj h PHE 428 Ca -0.48 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xsj h PHE 428 Cb 1.22 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1xsj h PHE 428 CO 0.57 -0.32 0.00 -0.40 -2.23 0.00 0.00 178.31 175.92 1xsj n ASP 429 N -5.35 2.54 -0.93 0.41 5.75 -1.26 -4.90 116.55 112.81 1xsj n ASP 429 Ca 0.22 -2.02 -0.12 0.00 -0.01 0.00 0.00 54.79 52.86 1xsj n ASP 429 Cb 0.73 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 1xsj n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsj n GLY 430 N 1.21 1.30 3.61 6.12 0.00 -0.27 -4.98 105.19 112.18 1xsj n GLY 430 Ca 0.16 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1xsj n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsj n SER 431 N -0.11 0.34 -4.64 1.61 7.64 -1.26 -4.92 113.62 112.28 1xsj n SER 431 Ca -0.12 0.62 -0.42 0.00 1.01 0.00 0.00 58.87 59.95 1xsj n SER 431 Cb 0.42 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.18 1xsj n SER 431 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xsj s ASP 432 N -1.78 6.32 0.54 6.43 -1.08 -0.25 -4.62 116.67 122.23 1xsj s ASP 432 Ca 0.72 2.20 0.24 0.00 -0.52 0.00 0.00 52.55 55.19 1xsj s ASP 432 Cb -0.32 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.14 1xsj s ASP 432 CO 0.52 -1.22 2.17 -0.65 0.52 0.00 0.00 175.17 176.51 1xsj h PRO 433 N 11.10 0.00 -0.15 4.34 0.11 -1.89 -1.75 132.00 143.76 1xsj h PRO 433 Ca -0.42 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 1xsj h PRO 433 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xsj h PRO 433 CO 0.96 0.05 -0.40 1.96 -0.21 0.00 0.00 178.00 180.36 1xsj h GLN 434 N 0.00 0.34 0.11 1.05 1.08 -1.91 -2.80 115.11 112.98 1xsj h GLN 434 Ca -0.00 -0.16 -0.27 0.00 -1.45 0.00 0.00 58.65 56.77 1xsj h GLN 434 Cb 0.10 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1xsj h GLN 434 CO 0.01 0.69 -1.23 0.87 -0.95 0.00 0.00 178.83 178.21 1xsj h LYS 435 N 0.29 0.23 0.00 1.46 1.57 -1.74 -3.33 116.57 115.05 1xsj h LYS 435 Ca 0.03 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1xsj h LYS 435 Cb 0.83 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1xsj h LYS 435 CO 0.07 1.18 -0.16 0.52 -0.57 0.00 0.00 179.45 180.49 1xsj h MET 436 N 0.06 0.00 0.02 3.15 2.86 -1.25 -2.72 114.93 117.06 1xsj h MET 436 Ca -0.13 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1xsj h MET 436 Cb 1.95 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.57 1xsj h MET 436 CO 0.19 0.16 -0.20 1.25 1.06 0.00 0.00 176.91 179.37 1xsj h HIS 437 N 0.00 -0.53 0.18 -0.22 -0.00 -1.60 0.12 115.15 113.10 1xsj h HIS 437 Ca -0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 60.37 60.08 1xsj h HIS 437 Cb 0.47 0.23 0.02 0.00 -0.00 0.00 0.00 27.41 28.14 1xsj h HIS 437 CO 0.00 -0.29 -1.34 -0.91 -0.00 0.00 0.00 177.93 175.40 1xsj h ASN 438 N -0.33 0.61 1.23 3.26 2.35 -1.78 -3.36 115.58 117.56 1xsj h ASN 438 Ca 0.05 -0.65 -0.04 0.00 -0.55 0.00 0.00 56.30 55.12 1xsj h ASN 438 Cb 0.40 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1xsj h ASN 438 CO -0.17 1.50 -0.17 -0.74 -1.65 0.00 0.00 177.43 176.21 1xsj h HIS 439 N 0.11 0.00 -0.85 1.19 2.76 -1.29 -2.83 115.15 114.24 1xsj h HIS 439 Ca -0.18 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.16 1xsj h HIS 439 Cb 2.05 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.90 1xsj h HIS 439 CO 0.09 0.17 0.39 -0.92 -1.30 0.00 0.00 177.93 176.36 1xsj h TYR 440 N 0.00 0.67 -0.78 5.26 3.20 -1.12 -1.05 116.97 123.16 1xsj h TYR 440 Ca -0.00 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.04 1xsj h TYR 440 Cb 0.83 -0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.84 1xsj h TYR 440 CO 0.00 0.08 0.35 0.00 -1.64 0.00 0.00 178.16 176.95 1xsj h ALA 441 N 1.61 1.12 0.15 1.82 0.00 -1.67 -0.29 119.26 121.99 1xsj h ALA 441 Ca 0.49 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 1xsj h ALA 441 Cb 0.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xsj h ALA 441 CO -0.43 -0.15 -0.07 -0.92 0.00 0.00 0.00 179.25 177.67 1xsj h TYR 442 N 0.52 -0.18 -0.72 0.00 3.20 -1.37 -2.21 116.97 116.21 1xsj h TYR 442 Ca 0.42 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.38 1xsj h TYR 442 Cb 0.60 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.86 1xsj h TYR 442 CO -0.14 0.15 0.36 0.82 -1.64 0.00 0.00 178.16 177.72 1xsj h ILE 443 N -0.53 0.86 0.23 1.81 1.08 -1.15 0.17 117.51 119.98 1xsj h ILE 443 Ca -0.02 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1xsj h ILE 443 Cb 0.41 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1xsj h ILE 443 CO 0.03 0.11 -0.11 0.22 -0.69 0.00 0.00 178.15 177.71 1xsj h TYR 444 N 0.62 -0.29 -0.26 1.37 -0.00 -1.06 -1.84 116.97 115.51 1xsj h TYR 444 Ca 0.35 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.97 1xsj h TYR 444 Cb 0.36 0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 37.17 1xsj h TYR 444 CO -0.10 -0.04 -0.28 -0.91 -0.00 0.00 0.00 178.16 176.83 1xsj h ASN 445 N -0.52 0.54 -0.61 -2.11 2.35 -1.05 -2.18 115.58 112.01 1xsj h ASN 445 Ca -0.03 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1xsj h ASN 445 Cb 0.38 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1xsj h ASN 445 CO 0.05 0.80 0.30 -0.08 -1.65 0.00 0.00 177.43 176.86 1xsj h GLU 446 N 0.46 0.87 0.08 0.81 4.81 -0.66 0.41 114.58 121.36 1xsj h GLU 446 Ca 0.06 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1xsj h GLU 446 Cb 0.73 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1xsj h GLU 446 CO 0.06 0.69 -0.20 1.25 -0.73 0.00 0.00 179.01 180.08 1xsj h LEU 447 N 0.83 -0.55 0.16 1.64 6.46 -1.07 -0.64 115.31 122.13 1xsj h LEU 447 Ca 0.21 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 1xsj h LEU 447 Cb 0.10 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1xsj h LEU 447 CO -0.03 -0.27 -0.08 0.58 -0.62 0.00 0.00 178.44 178.02 1xsj h VAL 448 N -0.36 0.87 -0.76 1.05 2.07 -1.12 -2.16 116.25 115.84 1xsj h VAL 448 Ca 0.03 -0.11 0.17 0.00 0.82 0.00 0.00 66.70 67.62 1xsj h VAL 448 Cb 0.39 0.94 -0.13 0.00 -1.52 0.00 0.00 31.29 30.97 1xsj h VAL 448 CO -0.12 0.03 0.01 -0.25 0.02 0.00 0.00 177.57 177.25 1xsj h TRP 449 N -0.26 -0.05 -0.21 1.57 2.91 -0.89 -1.23 115.95 117.80 1xsj h TRP 449 Ca -0.02 0.06 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 1xsj h TRP 449 Cb 0.20 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1xsj h TRP 449 CO -0.05 -0.25 -0.11 -0.91 -1.03 0.00 0.00 178.44 176.09 1xsj h ASN 450 N 0.10 0.32 -0.13 2.65 2.35 -0.74 -0.21 115.58 119.93 1xsj h ASN 450 Ca 0.42 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1xsj h ASN 450 Cb 0.74 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1xsj h ASN 450 CO -0.67 0.47 0.06 0.58 -1.65 0.00 0.00 177.43 176.22 1xsj h VAL 451 N 0.32 1.12 -0.07 2.81 2.07 -0.60 -1.68 116.25 120.21 1xsj h VAL 451 Ca 0.06 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xsj h VAL 451 Cb 0.40 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1xsj h VAL 451 CO 0.02 0.11 0.04 -0.07 0.02 0.00 0.00 177.57 177.69 1xsj h LEU 452 N 0.08 0.09 -0.92 2.57 -0.00 -0.98 -1.95 115.31 114.20 1xsj h LEU 452 Ca 0.04 -0.08 0.23 0.00 -0.00 0.00 0.00 57.88 58.07 1xsj h LEU 452 Cb 0.12 -0.02 -0.12 0.00 -0.00 0.00 0.00 40.66 40.63 1xsj h LEU 452 CO -0.01 0.14 0.44 0.50 -0.00 0.00 0.00 178.44 179.52 1xsj h LYS 453 N 0.03 0.43 0.00 1.13 3.64 -1.00 0.28 116.57 121.08 1xsj h LYS 453 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xsj h LYS 453 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1xsj h LYS 453 CO -0.00 0.29 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.01 1xsj h ASP 454 N 0.44 0.00 0.00 4.20 5.19 -0.92 -3.03 116.42 122.30 1xsj h ASP 454 Ca 0.58 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.90 1xsj h ASP 454 Cb 1.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1xsj h ASP 454 CO -0.51 0.00 -1.31 0.35 -3.12 0.00 0.00 179.24 174.65 1xsj n THR 455 N -2.33 0.30 0.51 0.35 -2.24 0.08 -4.78 114.28 106.18 1xsj n THR 455 Ca 0.05 -0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1xsj n THR 455 Cb 0.44 -1.47 -0.03 0.00 -2.10 0.00 0.00 70.33 67.17 1xsj n THR 455 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xsj n VAL 456 N -3.18 0.14 0.00 2.28 0.24 0.75 -5.08 118.33 113.49 1xsj n VAL 456 Ca -0.11 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1xsj n VAL 456 Cb 0.58 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 1xsj n VAL 456 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xsj n GLY 457 N 1.36 1.58 0.27 7.63 0.00 -1.05 -4.51 105.19 110.48 1xsj n GLY 457 Ca 0.01 -1.64 0.06 0.00 0.00 0.00 0.00 46.02 44.46 1xsj n GLY 457 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsj h GLU 458 N 0.00 0.18 -0.18 1.61 4.81 -1.81 -1.35 114.58 117.84 1xsj h GLU 458 Ca 0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1xsj h GLU 458 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1xsj h GLU 458 CO 0.00 0.12 0.14 0.93 -0.73 0.00 0.00 179.01 179.47 1xsj h GLU 459 N 0.18 0.00 -0.01 1.92 3.07 -1.90 -2.64 114.58 115.20 1xsj h GLU 459 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1xsj h GLU 459 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1xsj h GLU 459 CO -0.59 0.00 -0.62 0.39 -1.40 0.00 0.00 179.01 176.79 1xsj n GLU 460 N -4.28 0.97 -2.22 2.33 -0.58 -0.55 -3.54 120.64 112.77 1xsj n GLU 460 Ca 0.01 -0.65 -0.42 0.00 -0.42 0.00 0.00 57.16 55.69 1xsj n GLU 460 Cb 0.28 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1xsj n GLU 460 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsj s ALA 461 N -2.56 3.56 -0.05 0.62 0.00 -0.95 -4.81 121.76 117.57 1xsj s ALA 461 Ca 0.14 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1xsj s ALA 461 Cb 0.17 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1xsj s ALA 461 CO 0.64 -0.71 0.32 0.54 0.00 0.00 0.00 175.76 176.55 1xsj s VAL 462 N 1.61 0.04 0.38 0.00 0.11 -1.26 -4.50 120.40 116.77 1xsj s VAL 462 Ca 0.64 -0.33 0.06 0.00 -2.93 0.00 0.00 61.98 59.41 1xsj s VAL 462 Cb -0.34 -0.57 -0.07 0.00 -1.53 0.00 0.00 36.38 33.87 1xsj s VAL 462 CO 0.29 -0.18 0.02 -0.76 -3.33 0.00 0.00 175.10 171.13 1xsj s LEU 463 N -0.87 2.65 -0.37 2.54 1.43 -0.05 -3.89 118.68 120.12 1xsj s LEU 463 Ca -0.09 -1.36 0.02 0.00 -1.03 0.00 0.00 54.13 51.67 1xsj s LEU 463 Cb -0.04 -0.74 0.11 0.00 0.03 0.00 0.00 46.19 45.54 1xsj s LEU 463 CO 0.03 -0.48 0.13 0.12 0.23 0.00 0.00 176.35 176.38 1xsj s PHE 464 N -2.89 2.69 -0.13 0.29 5.36 -0.82 -3.87 117.98 118.61 1xsj s PHE 464 Ca 0.35 -2.51 -0.04 0.00 -0.96 0.00 0.00 56.93 53.78 1xsj s PHE 464 Cb 0.09 -2.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 1xsj s PHE 464 CO 0.17 -0.87 -0.00 0.00 -1.46 0.00 0.00 175.22 173.06 1xsj s ALA 465 N 0.87 3.20 -0.12 11.12 0.00 0.99 -1.27 121.76 136.55 1xsj s ALA 465 Ca 0.13 -0.80 0.14 0.00 0.00 0.00 0.00 51.96 51.42 1xsj s ALA 465 Cb -0.20 -1.59 -0.24 0.00 0.00 0.00 0.00 23.12 21.09 1xsj s ALA 465 CO -0.11 0.37 0.39 -2.13 0.00 0.00 0.00 175.76 174.27 1xsj n ARG 466 N 2.95 0.66 -4.44 0.00 0.63 -0.94 -2.13 116.66 113.38 1xsj n ARG 466 Ca -0.18 0.17 -0.25 0.00 -0.92 0.00 0.00 57.85 56.67 1xsj n ARG 466 Cb 0.53 -1.67 -0.11 0.00 0.45 0.00 0.00 32.46 31.66 1xsj n ARG 466 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1xsj s SER 467 N -5.91 3.56 0.16 6.15 0.15 -1.26 -4.53 113.70 112.02 1xsj s SER 467 Ca -0.09 -0.94 -0.23 0.00 0.70 0.00 0.00 55.95 55.39 1xsj s SER 467 Cb 0.07 -0.30 0.06 0.00 -1.71 0.00 0.00 66.02 64.14 1xsj s SER 467 CO 0.82 0.08 0.67 0.00 1.20 0.00 0.00 173.24 176.01 1xsj s ALA 468 N -2.11 -1.55 0.26 5.45 0.00 -1.23 -4.90 121.76 117.69 1xsj s ALA 468 Ca 0.26 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1xsj s ALA 468 Cb -0.06 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 1xsj s ALA 468 CO 0.13 -0.83 0.49 0.45 0.00 0.00 0.00 175.76 176.00 1xsj s SER 469 N -2.76 -0.00 0.01 0.00 0.15 -1.26 -3.42 113.70 106.41 1xsj s SER 469 Ca 0.04 -0.98 -0.36 0.00 0.70 0.00 0.00 55.95 55.35 1xsj s SER 469 Cb -0.02 0.60 -0.15 0.00 -1.71 0.00 0.00 66.02 64.75 1xsj s SER 469 CO -0.08 -1.18 1.60 0.52 1.20 0.00 0.00 173.24 175.30 1xsj n VAL 470 N -0.40 0.18 0.00 4.45 0.31 -1.26 -1.42 118.33 120.18 1xsj n VAL 470 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xsj n VAL 470 Cb 0.62 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 1xsj n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsj n GLY 471 N 3.48 2.70 0.11 2.92 0.00 -1.26 -4.62 105.19 108.53 1xsj n GLY 471 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1xsj n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsj n ALA 472 N -0.64 1.52 0.31 4.61 0.00 -0.50 -2.07 120.51 123.73 1xsj n ALA 472 Ca 0.00 0.08 0.21 0.00 0.00 0.00 0.00 53.44 53.73 1xsj n ALA 472 Cb 0.00 -1.33 1.09 0.00 0.00 0.00 0.00 19.45 19.21 1xsj n ALA 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xsj h GLN 473 N 0.00 0.00 0.00 0.00 -0.00 -1.89 -0.29 115.11 112.93 1xsj h GLN 473 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xsj h GLN 473 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 1xsj h GLN 473 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.46 1xsj n LYS 474 N -2.92 0.09 -3.31 0.06 5.02 -0.88 -3.80 118.16 112.43 1xsj n LYS 474 Ca -0.03 0.41 -0.27 0.00 -2.02 0.00 0.00 58.31 56.40 1xsj n LYS 474 Cb 0.07 -1.70 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 1xsj n LYS 474 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xsj n PHE 475 N -1.88 3.75 -1.13 2.13 3.72 -0.12 -3.71 117.46 120.21 1xsj n PHE 475 Ca 0.02 -4.11 -0.29 0.00 -0.05 0.00 0.00 57.45 53.02 1xsj n PHE 475 Cb 0.15 -0.55 0.18 0.00 -0.94 0.00 0.00 39.48 38.32 1xsj n PHE 475 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xsj s PRO 476 N -2.72 0.37 -0.01 -1.08 0.04 -1.25 -4.71 135.00 125.64 1xsj s PRO 476 Ca 0.42 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.00 1xsj s PRO 476 Cb 0.18 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1xsj s PRO 476 CO -0.04 -2.78 0.02 0.28 0.04 0.00 0.00 177.00 174.52 1xsj n VAL 477 N -4.21 -3.67 -4.44 -0.36 0.31 -1.25 -0.87 118.33 103.84 1xsj n VAL 477 Ca 0.05 0.19 -0.34 0.00 -0.01 0.00 0.00 64.34 64.23 1xsj n VAL 477 Cb 0.57 -3.71 -0.10 0.00 -0.91 0.00 0.00 33.84 29.69 1xsj n VAL 477 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1xsj s HIS 478 N -0.05 3.09 0.07 3.52 3.76 -1.19 -0.01 115.29 124.49 1xsj s HIS 478 Ca -0.02 0.09 0.10 0.00 -0.15 0.00 0.00 55.06 55.08 1xsj s HIS 478 Cb 0.00 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 1xsj s HIS 478 CO 0.05 0.37 -0.26 1.67 -0.85 0.00 0.00 174.74 175.72 1xsj s TRP 479 N -0.69 2.33 -2.00 1.40 -2.14 -0.91 -0.17 118.94 116.75 1xsj s TRP 479 Ca 0.11 -0.40 0.04 0.00 2.66 0.00 0.00 56.10 58.51 1xsj s TRP 479 Cb -0.12 -1.35 0.26 0.00 -3.10 0.00 0.00 33.47 29.17 1xsj s TRP 479 CO 0.02 0.20 0.68 0.41 -2.66 0.00 0.00 176.95 175.60 1xsj n GLY 480 N 1.49 -0.41 7.00 3.67 0.00 -0.31 -4.65 105.19 111.98 1xsj n GLY 480 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xsj n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 481 N -0.13 0.26 3.37 -0.02 0.00 -1.26 -4.67 105.19 102.75 1xsj n GLY 481 Ca 0.03 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 1xsj n GLY 481 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xsj n ASP 482 N 0.08 5.32 -4.19 1.61 8.00 -1.26 -4.64 116.55 121.48 1xsj n ASP 482 Ca 0.00 -3.02 -0.29 0.00 0.71 0.00 0.00 54.79 52.19 1xsj n ASP 482 Cb 0.00 -1.51 0.18 0.00 -0.02 0.00 0.00 41.12 39.77 1xsj n ASP 482 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsj s TYR 484 N -3.83 2.61 -1.53 0.00 2.02 -1.26 -0.40 117.35 114.97 1xsj s TYR 484 Ca 0.73 -0.23 -0.10 0.00 -0.37 0.00 0.00 57.07 57.10 1xsj s TYR 484 Cb -0.04 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1xsj s TYR 484 CO 0.52 0.53 2.66 0.00 -1.57 0.00 0.00 175.55 177.70 1xsj n ALA 485 N -0.09 6.93 -2.91 3.71 0.00 0.37 -4.44 120.51 124.08 1xsj n ALA 485 Ca -0.10 -3.74 -0.10 0.00 0.00 0.00 0.00 53.44 49.50 1xsj n ALA 485 Cb 0.56 -3.29 -0.06 0.00 0.00 0.00 0.00 19.45 16.66 1xsj n ALA 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsj s ASN 486 N 2.00 0.06 0.26 0.00 2.20 -1.26 -4.33 114.94 113.88 1xsj s ASN 486 Ca 0.61 -1.10 -0.01 0.00 -0.94 0.00 0.00 52.86 51.43 1xsj s ASN 486 Cb 0.17 0.54 0.35 0.00 -2.00 0.00 0.00 41.25 40.31 1xsj s ASN 486 CO -0.07 -1.08 1.73 1.88 -2.94 0.00 0.00 177.10 176.62 1xsj h TYR 487 N 2.33 0.73 -0.57 1.54 0.05 -1.91 -2.06 116.97 117.07 1xsj h TYR 487 Ca -0.29 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.32 1xsj h TYR 487 Cb 1.25 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.77 1xsj h TYR 487 CO 0.49 0.76 0.17 0.93 -1.05 0.00 0.00 178.16 179.46 1xsj h GLU 488 N 0.61 0.87 0.05 4.88 3.07 -1.94 0.54 114.58 122.67 1xsj h GLU 488 Ca 0.11 -0.16 -0.23 0.00 -0.50 0.00 0.00 59.36 58.57 1xsj h GLU 488 Cb 0.57 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1xsj h GLU 488 CO 0.04 0.76 -1.06 1.03 -1.40 0.00 0.00 179.01 178.37 1xsj h SER 489 N 0.84 0.24 -0.69 1.42 0.87 -1.76 0.10 113.55 114.58 1xsj h SER 489 Ca 0.19 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1xsj h SER 489 Cb 0.26 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1xsj h SER 489 CO -0.01 1.14 0.41 -0.03 -0.53 0.00 0.00 176.83 177.81 1xsj h MET 490 N 0.06 0.93 -0.40 2.24 -1.53 -1.05 0.16 114.93 115.35 1xsj h MET 490 Ca -0.07 -0.09 -0.14 0.00 -3.44 0.00 0.00 59.70 55.96 1xsj h MET 490 Cb 1.77 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 32.62 1xsj h MET 490 CO 0.16 0.67 -0.32 0.00 0.14 0.00 0.00 176.91 177.57 1xsj h ALA 491 N 1.21 0.57 -0.25 0.39 0.00 -0.72 -2.51 119.26 117.95 1xsj h ALA 491 Ca 0.25 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1xsj h ALA 491 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xsj h ALA 491 CO -0.05 0.63 -0.16 1.05 0.00 0.00 0.00 179.25 180.73 1xsj h GLU 492 N 0.73 0.43 -0.45 0.00 4.11 -0.78 -2.14 114.58 116.47 1xsj h GLU 492 Ca 0.07 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1xsj h GLU 492 Cb 0.90 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1xsj h GLU 492 CO 0.08 0.58 0.23 0.77 0.07 0.00 0.00 179.01 180.74 1xsj h SER 493 N 0.39 0.58 -0.93 3.06 0.02 -0.47 -2.05 113.55 114.14 1xsj h SER 493 Ca 0.07 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1xsj h SER 493 Cb 0.51 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1xsj h SER 493 CO 0.03 0.52 0.60 0.25 -1.14 0.00 0.00 176.83 177.09 1xsj h LEU 494 N 0.59 0.99 -0.95 5.07 5.85 -1.20 -0.54 115.31 125.13 1xsj h LEU 494 Ca 0.16 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1xsj h LEU 494 Cb 0.08 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1xsj h LEU 494 CO -0.02 0.67 0.61 0.03 -0.34 0.00 0.00 178.44 179.38 1xsj h ARG 495 N 1.15 1.10 -0.34 1.25 3.08 -0.73 0.13 114.38 120.02 1xsj h ARG 495 Ca 0.38 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 1xsj h ARG 495 Cb 0.05 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1xsj h ARG 495 CO -0.14 0.73 0.01 0.78 -1.07 0.00 0.00 179.97 180.28 1xsj h GLY 496 N 1.13 0.65 0.45 0.04 0.00 -0.71 -0.76 103.07 103.88 1xsj h GLY 496 Ca 0.40 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1xsj h GLY 496 CO -0.16 0.44 -0.26 -1.33 0.00 0.00 0.00 176.54 175.23 1xsj h GLY 497 N 0.42 -0.42 0.31 4.60 0.00 -0.50 0.49 103.07 107.97 1xsj h GLY 497 Ca 0.10 0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.78 1xsj h GLY 497 CO 0.02 -0.21 -0.24 1.41 0.00 0.00 0.00 176.54 177.51 1xsj h LEU 498 N -0.42 -0.75 -0.78 3.11 3.38 -0.74 -2.88 115.31 116.23 1xsj h LEU 498 Ca 0.05 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1xsj h LEU 498 Cb 0.49 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1xsj h LEU 498 CO -0.20 -0.30 0.42 0.28 0.09 0.00 0.00 178.44 178.73 1xsj h SER 499 N -0.32 0.59 0.00 -0.43 0.02 -0.78 -1.06 113.55 111.56 1xsj h SER 499 Ca 0.09 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1xsj h SER 499 Cb 0.46 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1xsj h SER 499 CO -0.29 0.33 -0.20 -0.29 -1.14 0.00 0.00 176.83 175.25 1xsj h ILE 500 N 0.71 1.23 -0.03 3.27 2.10 -0.70 -1.99 117.51 122.10 1xsj h ILE 500 Ca 0.38 -1.06 -0.19 0.00 1.08 0.00 0.00 64.86 65.07 1xsj h ILE 500 Cb 0.37 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1xsj h ILE 500 CO -0.26 0.33 -0.81 1.23 -1.08 0.00 0.00 178.15 177.56 1xsj h GLY 501 N 0.93 0.34 1.23 8.18 0.00 -1.18 -1.09 103.07 111.48 1xsj h GLY 501 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1xsj h GLY 501 CO 0.04 0.47 0.00 1.04 0.00 0.00 0.00 176.54 178.09 1xsj n LEU 502 N -3.75 0.00 -0.24 3.11 4.77 -0.48 -2.38 117.00 118.03 1xsj n LEU 502 Ca -0.04 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1xsj n LEU 502 Cb 0.76 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.83 1xsj n LEU 502 CO 0.48 -0.07 0.57 -1.20 -1.33 0.00 0.00 177.39 175.84 1xsj n SER 503 N -1.12 2.47 0.00 -1.43 7.64 -0.48 -4.55 113.62 116.17 1xsj n SER 503 Ca 0.08 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1xsj n SER 503 Cb 0.07 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1xsj n SER 503 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsj n GLY 504 N -0.53 0.74 3.65 0.23 0.00 -1.00 -4.91 105.19 103.36 1xsj n GLY 504 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1xsj n GLY 504 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsj s PHE 505 N -2.00 3.31 -0.26 1.61 0.08 -0.83 -4.68 117.98 115.21 1xsj s PHE 505 Ca 0.00 0.35 0.21 0.00 0.12 0.00 0.00 56.93 57.61 1xsj s PHE 505 Cb 0.00 -2.41 0.07 0.00 -0.57 0.00 0.00 43.02 40.11 1xsj s PHE 505 CO 0.00 -0.03 1.20 0.78 -0.10 0.00 0.00 175.22 177.07 1xsj h GLY 506 N 7.83 0.00 -5.77 4.36 0.00 -1.88 -3.32 103.07 104.30 1xsj h GLY 506 Ca -0.36 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.57 1xsj h GLY 506 CO 0.66 0.00 -0.77 -1.36 0.00 0.00 0.00 176.54 175.06 1xsj s PHE 507 N -3.19 0.76 -0.15 5.60 0.08 -1.26 -2.07 117.98 117.74 1xsj s PHE 507 Ca 0.02 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 56.77 1xsj s PHE 507 Cb 0.08 -0.59 0.05 0.00 -0.57 0.00 0.00 43.02 41.99 1xsj s PHE 507 CO 0.76 -0.11 0.38 -0.46 -0.10 0.00 0.00 175.22 175.69 1xsj s TRP 508 N 0.40 -0.49 0.49 0.36 -0.00 -1.26 -3.15 118.94 115.29 1xsj s TRP 508 Ca -0.05 1.11 0.02 0.00 -0.00 0.00 0.00 56.10 57.17 1xsj s TRP 508 Cb -0.09 0.18 -0.02 0.00 -0.00 0.00 0.00 33.47 33.54 1xsj s TRP 508 CO 0.00 -0.26 0.01 0.45 -0.00 0.00 0.00 176.95 177.15 1xsj s SER 509 N 0.79 4.03 -0.02 5.86 0.15 0.76 -3.40 113.70 121.86 1xsj s SER 509 Ca -0.05 -1.62 -0.29 0.00 0.70 0.00 0.00 55.95 54.69 1xsj s SER 509 Cb -0.06 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.74 1xsj s SER 509 CO -0.06 -0.81 0.65 -1.38 1.20 0.00 0.00 173.24 172.84 1xsj s HIS 510 N -2.88 -0.62 -0.38 3.44 -3.43 -1.26 -1.16 115.29 109.00 1xsj s HIS 510 Ca 0.10 0.97 -0.28 0.00 -0.80 0.00 0.00 55.06 55.05 1xsj s HIS 510 Cb 0.03 0.42 -0.02 0.00 -1.43 0.00 0.00 32.58 31.57 1xsj s HIS 510 CO 0.05 -0.64 1.87 -0.51 -2.00 0.00 0.00 174.74 173.52 1xsj s ASP 511 N -1.44 5.68 0.18 7.38 -0.00 -1.26 -4.26 116.67 122.96 1xsj s ASP 511 Ca -0.09 1.17 -0.31 0.00 -0.00 0.00 0.00 52.55 53.33 1xsj s ASP 511 Cb -0.00 -2.52 -0.09 0.00 -0.00 0.00 0.00 42.92 40.30 1xsj s ASP 511 CO 0.06 -1.90 1.42 -0.63 -0.00 0.00 0.00 175.17 174.12 1xsj s ILE 512 N 7.64 2.97 0.00 0.77 1.01 0.05 -1.27 121.20 132.36 1xsj s ILE 512 Ca 0.80 0.75 0.00 0.00 0.00 0.00 0.00 60.65 62.20 1xsj s ILE 512 Cb -0.21 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1xsj s ILE 512 CO 0.31 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1xsj n GLY 513 N 2.88 1.77 0.00 6.18 0.00 -1.26 -4.24 105.19 110.51 1xsj n GLY 513 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xsj n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsj n GLY 514 N -2.00 -1.89 0.17 -0.02 0.00 -0.40 -4.38 105.19 96.68 1xsj n GLY 514 Ca 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 1xsj n GLY 514 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xsj h PHE 515 N 0.00 -0.36 -3.48 1.61 3.04 -1.69 -3.43 116.94 112.64 1xsj h PHE 515 Ca 0.00 -0.01 -0.53 0.00 3.98 0.00 0.00 57.97 61.41 1xsj h PHE 515 Cb 0.00 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 1xsj h PHE 515 CO 0.00 -0.22 -0.02 -1.21 -2.02 0.00 0.00 178.31 174.84 1xsj s GLU 516 N -2.86 3.98 0.39 1.11 0.41 0.47 -0.01 118.70 122.19 1xsj s GLU 516 Ca -0.06 0.53 0.00 0.00 -0.41 0.00 0.00 54.97 55.04 1xsj s GLU 516 Cb 0.01 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1xsj s GLU 516 CO 0.17 0.35 0.00 0.09 -0.49 0.00 0.00 175.26 175.38 1xsj n ASN 517 N 0.30 -5.70 -4.57 -0.19 5.03 -1.26 -0.48 115.26 108.39 1xsj n ASN 517 Ca -0.01 0.88 -0.39 0.00 0.87 0.00 0.00 54.58 55.93 1xsj n ASN 517 Cb 0.52 -3.35 -0.10 0.00 -1.02 0.00 0.00 39.78 35.82 1xsj n ASN 517 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xsj s THR 518 N -3.44 5.27 0.48 3.41 2.01 -1.26 -4.51 115.64 117.60 1xsj s THR 518 Ca 0.00 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 1xsj s THR 518 Cb 0.00 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 1xsj s THR 518 CO 0.00 0.13 1.25 0.00 -0.69 0.00 0.00 174.62 175.30 1xsj s ALA 519 N 1.81 2.95 0.76 7.40 0.00 -1.26 -4.98 121.76 128.44 1xsj s ALA 519 Ca 0.08 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 1xsj s ALA 519 Cb -0.16 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.55 1xsj s ALA 519 CO 0.11 -0.93 1.20 -2.14 0.00 0.00 0.00 175.76 174.01 1xsj s PRO 520 N -2.72 1.96 0.23 0.00 0.02 -1.26 -4.82 135.00 128.41 1xsj s PRO 520 Ca 0.66 1.74 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 1xsj s PRO 520 Cb -0.34 -1.81 0.35 0.00 0.02 0.00 0.00 34.50 32.72 1xsj s PRO 520 CO 0.41 -1.97 1.81 0.00 -0.33 0.00 0.00 177.00 176.91 1xsj h ALA 521 N -0.54 1.08 -0.86 -1.55 0.00 -1.96 -1.92 119.26 113.52 1xsj h ALA 521 Ca -0.47 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1xsj h ALA 521 Cb 1.29 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1xsj h ALA 521 CO 0.48 0.08 0.50 1.12 0.00 0.00 0.00 179.25 181.44 1xsj h HIS 522 N 0.75 0.92 -0.12 0.00 2.07 -1.98 -0.68 115.15 116.11 1xsj h HIS 522 Ca 0.37 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.89 1xsj h HIS 522 Cb 0.31 -0.28 -0.00 0.00 2.57 0.00 0.00 27.41 30.00 1xsj h HIS 522 CO -0.07 0.39 -0.01 0.28 -3.07 0.00 0.00 177.93 175.45 1xsj h VAL 523 N 0.85 1.26 -0.75 6.12 2.07 -1.72 -1.42 116.25 122.66 1xsj h VAL 523 Ca 0.41 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1xsj h VAL 523 Cb 0.35 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1xsj h VAL 523 CO -0.24 0.25 0.40 0.22 0.02 0.00 0.00 177.57 178.22 1xsj h TYR 524 N -0.06 0.73 0.44 1.57 3.20 -1.22 -0.84 116.97 120.79 1xsj h TYR 524 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1xsj h TYR 524 Cb 0.38 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1xsj h TYR 524 CO 0.04 0.29 -0.21 0.87 -1.64 0.00 0.00 178.16 177.51 1xsj h LYS 525 N 0.69 -0.57 -0.96 1.82 1.57 -0.89 0.16 116.57 118.40 1xsj h LYS 525 Ca 0.36 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.33 1xsj h LYS 525 Cb 0.35 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.69 1xsj h LYS 525 CO -0.25 -0.33 0.57 0.00 -0.57 0.00 0.00 179.45 178.87 1xsj h ARG 526 N -0.68 0.80 -0.07 3.15 2.47 -1.15 -2.11 114.38 116.78 1xsj h ARG 526 Ca -0.06 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.44 1xsj h ARG 526 Cb 0.50 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1xsj h ARG 526 CO 0.10 0.53 -0.69 2.35 0.56 0.00 0.00 179.97 182.82 1xsj h TRP 527 N 0.82 0.44 -0.29 3.04 2.91 -0.93 -2.99 115.95 118.95 1xsj h TRP 527 Ca 0.51 -0.19 0.06 0.00 1.13 0.00 0.00 58.89 60.40 1xsj h TRP 527 Cb 0.66 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 29.18 1xsj h TRP 527 CO -0.03 0.92 -0.04 0.00 -1.03 0.00 0.00 178.44 178.26 1xsj h ALA 529 N 1.28 1.12 -0.12 0.00 0.00 -1.48 -1.20 119.26 118.86 1xsj h ALA 529 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xsj h ALA 529 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xsj h ALA 529 CO -0.28 0.33 0.04 0.35 0.00 0.00 0.00 179.25 179.70 1xsj h PHE 530 N 1.02 0.19 -0.73 0.00 3.57 -1.35 -2.90 116.94 116.72 1xsj h PHE 530 Ca 0.35 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1xsj h PHE 530 Cb 0.06 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1xsj h PHE 530 CO -0.03 0.29 0.27 0.78 -2.23 0.00 0.00 178.31 177.39 1xsj h GLY 531 N 0.03 1.19 1.97 2.40 0.00 -0.05 -2.13 103.07 106.47 1xsj h GLY 531 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1xsj h GLY 531 CO -0.00 0.62 -0.02 1.04 0.00 0.00 0.00 176.54 178.17 1xsj n LEU 532 N -4.28 0.58 -1.79 3.11 7.99 -0.53 -2.42 117.00 119.66 1xsj n LEU 532 Ca 0.06 0.54 -0.11 0.00 -0.01 0.00 0.00 56.01 56.50 1xsj n LEU 532 Cb 0.20 -0.37 0.23 0.00 -0.11 0.00 0.00 43.42 43.37 1xsj n LEU 532 CO 0.41 -0.12 1.02 0.18 -1.51 0.00 0.00 177.39 177.36 1xsj n LEU 533 N -2.04 5.68 -4.72 2.23 4.32 -0.83 -4.71 117.00 116.93 1xsj n LEU 533 Ca 0.06 -3.47 -0.23 0.00 -0.02 0.00 0.00 56.01 52.35 1xsj n LEU 533 Cb 0.40 -0.74 -0.06 0.00 -1.62 0.00 0.00 43.42 41.40 1xsj n LEU 533 CO 0.30 0.99 -0.22 -0.44 -1.22 0.00 0.00 177.39 176.79 1xsj s SER 534 N -1.56 4.67 0.19 -1.43 0.01 -1.01 -4.98 113.70 109.59 1xsj s SER 534 Ca 0.52 -0.74 -0.12 0.00 1.31 0.00 0.00 55.95 56.92 1xsj s SER 534 Cb 0.44 -0.76 0.15 0.00 0.21 0.00 0.00 66.02 66.06 1xsj s SER 534 CO 0.09 -0.24 1.81 0.77 0.41 0.00 0.00 173.24 176.09 1xsj h SER 535 N 1.61 0.51 -4.17 2.44 4.64 -1.86 -3.42 113.55 113.31 1xsj h SER 535 Ca -0.44 0.01 -0.63 0.00 -0.47 0.00 0.00 61.79 60.27 1xsj h SER 535 Cb 1.25 -0.09 -0.31 0.00 -0.31 0.00 0.00 62.40 62.94 1xsj h SER 535 CO 0.63 0.35 -0.86 -1.00 -0.87 0.00 0.00 176.83 175.08 1xsj s HIS 536 N -6.12 2.03 -0.21 4.77 3.76 -1.22 -4.77 115.29 113.52 1xsj s HIS 536 Ca -0.13 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.28 1xsj s HIS 536 Cb 0.14 -1.33 0.05 0.00 1.11 0.00 0.00 32.58 32.55 1xsj s HIS 536 CO 0.75 -0.13 -0.08 -1.12 -0.85 0.00 0.00 174.74 173.31 1xsj s SER 537 N -0.25 3.59 -0.06 1.40 0.01 -1.26 -4.35 113.70 112.79 1xsj s SER 537 Ca 0.01 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.28 1xsj s SER 537 Cb -0.11 -1.21 0.02 0.00 0.21 0.00 0.00 66.02 64.93 1xsj s SER 537 CO 0.01 -0.19 -0.08 -0.60 0.41 0.00 0.00 173.24 172.79 1xsj s ARG 538 N 1.40 1.28 -0.38 12.44 3.52 -1.26 -1.19 118.95 134.77 1xsj s ARG 538 Ca -0.03 -0.26 -0.19 0.00 -0.13 0.00 0.00 55.73 55.12 1xsj s ARG 538 Cb -0.17 -1.15 0.01 0.00 -1.56 0.00 0.00 34.95 32.07 1xsj s ARG 538 CO -0.07 -0.04 0.55 -0.51 -0.81 0.00 0.00 175.30 174.42 1xsj s LEU 539 N 0.83 4.43 -0.11 -0.88 1.43 0.26 -0.77 118.68 123.87 1xsj s LEU 539 Ca -0.12 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1xsj s LEU 539 Cb -0.15 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.49 1xsj s LEU 539 CO 0.02 -0.57 0.33 -2.28 0.23 0.00 0.00 176.35 174.07 1xsj s HIS 540 N 2.49 -0.34 0.11 0.29 2.46 -1.26 -1.50 115.29 117.54 1xsj s HIS 540 Ca 0.19 0.82 -0.00 0.00 0.47 0.00 0.00 55.06 56.54 1xsj s HIS 540 Cb -0.15 0.12 -0.04 0.00 -0.13 0.00 0.00 32.58 32.38 1xsj s HIS 540 CO 0.15 -0.19 0.00 0.20 -2.47 0.00 0.00 174.74 172.43 1xsj s GLY 541 N 0.03 0.84 -0.09 1.59 0.00 -1.26 -4.25 107.32 104.18 1xsj s GLY 541 Ca -0.01 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.29 1xsj s GLY 541 CO 0.01 -1.39 -0.04 0.23 0.00 0.00 0.00 173.10 171.91 1xsj h SER 542 N 2.94 0.00 -0.00 1.64 0.87 -0.72 -0.99 113.55 117.29 1xsj h SER 542 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1xsj h SER 542 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xsj h SER 542 CO 0.63 0.45 -0.02 0.29 -0.53 0.00 0.00 176.83 177.66 1xsj n LYS 543 N -4.18 0.19 -4.18 2.24 5.02 -1.26 -1.28 118.16 114.71 1xsj n LYS 543 Ca -0.02 -0.61 -0.11 0.00 -2.02 0.00 0.00 58.31 55.55 1xsj n LYS 543 Cb 0.06 -1.01 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1xsj n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xsj s SER 544 N -0.38 1.27 0.58 4.39 1.04 -1.26 -4.64 113.70 114.70 1xsj s SER 544 Ca 0.03 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.32 1xsj s SER 544 Cb 0.03 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1xsj s SER 544 CO 0.05 -0.43 1.03 -0.31 0.98 0.00 0.00 173.24 174.56 1xsj s TYR 545 N -3.47 3.23 -0.92 5.02 2.02 -1.26 -4.33 117.35 117.64 1xsj s TYR 545 Ca 0.12 1.47 0.09 0.00 -0.37 0.00 0.00 57.07 58.37 1xsj s TYR 545 Cb 0.04 -2.89 0.18 0.00 -0.40 0.00 0.00 41.96 38.89 1xsj s TYR 545 CO -0.03 -0.82 1.04 0.54 -1.57 0.00 0.00 175.55 174.71 1xsj n ARG 546 N -2.05 1.83 -1.78 -0.62 5.12 -1.26 -4.91 116.66 112.99 1xsj n ARG 546 Ca 0.08 -1.59 -0.41 0.00 -1.93 0.00 0.00 57.85 54.00 1xsj n ARG 546 Cb 0.53 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 1xsj n ARG 546 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1xsj n VAL 547 N 0.41 2.07 0.14 1.55 0.24 -1.26 -4.88 118.33 116.61 1xsj n VAL 547 Ca 0.08 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 62.01 1xsj n VAL 547 Cb 0.33 -1.99 0.65 0.00 -1.47 0.00 0.00 33.84 31.37 1xsj n VAL 547 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1xsj h PRO 548 N 2.91 0.02 0.00 7.34 0.13 -1.93 -1.91 132.00 138.56 1xsj h PRO 548 Ca -0.51 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xsj h PRO 548 Cb 1.24 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xsj h PRO 548 CO 0.64 0.01 0.00 -2.67 -0.23 0.00 0.00 178.00 175.75 1xsj n TRP 549 N -4.47 0.00 0.83 1.56 2.14 -1.26 -1.73 117.44 114.51 1xsj n TRP 549 Ca 0.02 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.73 1xsj n TRP 549 Cb 0.30 -0.26 0.53 0.00 -0.81 0.00 0.00 31.31 31.07 1xsj n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsj n ALA 550 N -1.26 2.25 -0.08 -1.67 0.00 -0.72 -4.33 120.51 114.69 1xsj n ALA 550 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1xsj n ALA 550 Cb 0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1xsj n ALA 550 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xsj n TYR 551 N -1.75 0.00 -3.76 0.00 4.02 -0.70 -5.08 117.16 109.89 1xsj n TYR 551 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.98 1xsj n TYR 551 Cb 0.35 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 1xsj n TYR 551 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xsj s ASP 552 N -5.97 -0.01 0.18 7.72 1.47 -1.18 -4.81 116.67 114.06 1xsj s ASP 552 Ca -0.28 -0.08 0.01 0.00 1.18 0.00 0.00 52.55 53.38 1xsj s ASP 552 Cb 0.04 0.08 0.06 0.00 -0.34 0.00 0.00 42.92 42.75 1xsj s ASP 552 CO 0.41 -0.14 1.42 0.44 0.68 0.00 0.00 175.17 177.98 1xsj h ASP 553 N 2.00 0.34 -0.08 2.11 3.32 -1.90 -2.95 116.42 119.26 1xsj h ASP 553 Ca -0.28 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 1xsj h ASP 553 Cb 1.19 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1xsj h ASP 553 CO 0.30 1.00 0.05 -0.08 -1.72 0.00 0.00 179.24 178.78 1xsj h GLU 554 N 0.18 0.12 -0.81 3.56 4.81 -1.96 -1.78 114.58 118.69 1xsj h GLU 554 Ca -0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xsj h GLU 554 Cb 1.37 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 1xsj h GLU 554 CO 0.13 0.09 0.53 0.77 -0.73 0.00 0.00 179.01 179.79 1xsj h SER 555 N 0.12 0.89 -0.59 1.04 0.02 -1.80 -0.92 113.55 112.31 1xsj h SER 555 Ca 0.03 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1xsj h SER 555 Cb 0.00 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 1xsj h SER 555 CO -0.01 0.63 0.35 0.00 -1.14 0.00 0.00 176.83 176.66 1xsj h ASP 557 N 0.67 0.21 -0.03 0.00 3.32 -1.29 0.08 116.42 119.38 1xsj h ASP 557 Ca 0.25 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1xsj h ASP 557 Cb 0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1xsj h ASP 557 CO -0.13 0.19 -0.21 0.58 -1.72 0.00 0.00 179.24 177.95 1xsj h VAL 558 N 0.24 1.49 -0.89 -1.35 2.07 -0.25 -0.58 116.25 116.99 1xsj h VAL 558 Ca 0.06 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.86 1xsj h VAL 558 Cb 0.04 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 1xsj h VAL 558 CO -0.01 0.48 0.58 0.58 0.02 0.00 0.00 177.57 179.23 1xsj h VAL 559 N -0.41 1.18 -0.00 2.57 2.07 -0.98 -2.06 116.25 118.62 1xsj h VAL 559 Ca -0.02 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1xsj h VAL 559 Cb 0.89 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1xsj h VAL 559 CO 0.04 0.21 0.00 -0.09 0.02 0.00 0.00 177.57 177.75 1xsj h ARG 560 N 1.16 0.00 -0.34 1.57 2.43 -0.93 -1.38 114.38 116.89 1xsj h ARG 560 Ca 0.34 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 1xsj h ARG 560 Cb -0.06 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1xsj h ARG 560 CO -0.10 0.29 0.12 0.35 -1.51 0.00 0.00 179.97 179.12 1xsj h PHE 561 N -0.28 0.22 0.00 2.20 3.04 -0.87 -1.85 116.94 119.40 1xsj h PHE 561 Ca 0.00 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.81 1xsj h PHE 561 Cb 0.28 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1xsj h PHE 561 CO 0.02 0.10 -0.92 0.74 -2.02 0.00 0.00 178.31 176.22 1xsj h PHE 562 N 0.27 0.00 -0.58 0.41 0.04 -1.32 -2.26 116.94 113.50 1xsj h PHE 562 Ca 0.15 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 1xsj h PHE 562 Cb 0.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1xsj h PHE 562 CO -0.14 0.67 -0.02 1.15 -0.60 0.00 0.00 178.31 179.37 1xsj h THR 563 N 0.00 1.26 -0.44 -1.55 2.02 -1.17 -1.53 112.91 111.50 1xsj h THR 563 Ca -0.06 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1xsj h THR 563 Cb 1.57 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1xsj h THR 563 CO 0.08 0.41 0.15 1.56 0.37 0.00 0.00 175.52 178.09 1xsj h GLN 564 N 0.93 0.68 -0.43 6.66 4.20 -1.23 -2.24 115.11 123.66 1xsj h GLN 564 Ca 0.16 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1xsj h GLN 564 Cb 0.56 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1xsj h GLN 564 CO 0.03 0.65 0.21 1.25 -0.67 0.00 0.00 178.83 180.30 1xsj h LEU 565 N 0.57 0.56 -0.84 1.46 5.85 -1.29 -1.18 115.31 120.44 1xsj h LEU 565 Ca 0.14 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xsj h LEU 565 Cb 0.24 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1xsj h LEU 565 CO -0.01 0.53 0.40 0.50 -0.34 0.00 0.00 178.44 179.52 1xsj h LYS 566 N 0.56 1.22 -0.54 1.25 3.64 -1.23 0.15 116.57 121.61 1xsj h LYS 566 Ca 0.15 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1xsj h LYS 566 Cb 0.11 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1xsj h LYS 566 CO -0.02 0.94 -0.05 0.00 -2.27 0.00 0.00 179.45 178.05 1xsj h ARG 568 N 0.89 0.00 -0.01 0.00 3.08 -0.80 -2.74 114.38 114.80 1xsj h ARG 568 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1xsj h ARG 568 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1xsj h ARG 568 CO 0.04 0.00 -0.18 -1.33 -1.07 0.00 0.00 179.97 177.42 1xsj n MET 569 N -3.00 1.07 -0.01 0.04 2.81 0.50 -0.46 117.12 118.07 1xsj n MET 569 Ca 0.02 -0.63 0.16 0.00 -1.81 0.00 0.00 57.70 55.44 1xsj n MET 569 Cb 0.36 -1.49 0.61 0.00 -0.71 0.00 0.00 33.22 31.98 1xsj n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsj h MET 570 N 1.53 0.17 -0.62 0.03 2.86 -1.12 -1.30 114.93 116.48 1xsj h MET 570 Ca 0.00 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1xsj h MET 570 Cb 0.50 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1xsj h MET 570 CO 0.00 0.11 0.05 -1.35 1.06 0.00 0.00 176.91 176.78 1xsj h PRO 571 N 0.17 1.05 0.22 -0.22 0.11 -1.77 -0.78 132.00 130.78 1xsj h PRO 571 Ca 0.24 -0.30 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1xsj h PRO 571 Cb 0.72 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1xsj h PRO 571 CO -0.04 1.00 -0.11 -0.92 -0.21 0.00 0.00 178.00 177.72 1xsj h TYR 572 N 0.98 -0.27 -0.57 0.65 3.20 -1.30 -3.26 116.97 116.39 1xsj h TYR 572 Ca 0.18 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.14 1xsj h TYR 572 Cb 0.49 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 1xsj h TYR 572 CO 0.03 0.11 0.16 -0.07 -1.64 0.00 0.00 178.16 176.75 1xsj h LEU 573 N -0.76 0.10 -0.82 2.82 4.07 -1.21 -2.20 115.31 117.31 1xsj h LEU 573 Ca -0.03 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.91 1xsj h LEU 573 Cb 0.50 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1xsj h LEU 573 CO 0.05 0.07 -0.53 0.22 -1.08 0.00 0.00 178.44 177.16 1xsj h TYR 574 N 0.31 0.00 -0.53 1.13 3.20 -1.27 0.29 116.97 120.10 1xsj h TYR 574 Ca 0.29 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 1xsj h TYR 574 Cb 0.39 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1xsj h TYR 574 CO -0.21 0.53 0.18 -0.09 -1.64 0.00 0.00 178.16 176.93 1xsj h ARG 575 N 0.00 0.82 -0.46 1.82 9.65 -1.55 -2.08 114.38 122.58 1xsj h ARG 575 Ca -0.01 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1xsj h ARG 575 Cb 1.03 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.46 1xsj h ARG 575 CO 0.07 0.74 0.24 0.93 2.80 0.00 0.00 179.97 184.76 1xsj h GLU 576 N 0.73 0.63 -0.56 0.20 4.39 -0.70 -2.43 114.58 116.85 1xsj h GLU 576 Ca 0.17 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1xsj h GLU 576 Cb 0.26 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1xsj h GLU 576 CO -0.01 0.47 0.18 0.00 -1.16 0.00 0.00 179.01 178.50 1xsj h ALA 577 N 1.63 0.73 -0.14 3.43 0.00 -0.77 -2.53 119.26 121.61 1xsj h ALA 577 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xsj h ALA 577 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xsj h ALA 577 CO -0.03 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 1xsj h ALA 578 N 1.04 1.64 -0.60 0.00 0.00 -1.06 -2.13 119.26 118.16 1xsj h ALA 578 Ca 0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1xsj h ALA 578 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xsj h ALA 578 CO -0.01 0.26 0.08 -0.09 0.00 0.00 0.00 179.25 179.50 1xsj h ARG 579 N 0.20 0.98 -0.56 0.00 2.43 -1.02 -0.53 114.38 115.89 1xsj h ARG 579 Ca 0.05 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1xsj h ARG 579 Cb 0.25 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1xsj h ARG 579 CO 0.01 0.92 0.32 0.00 -1.51 0.00 0.00 179.97 179.71 1xsj h ALA 580 N 1.16 0.72 -0.31 2.80 0.00 -1.18 0.17 119.26 122.63 1xsj h ALA 580 Ca 0.18 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1xsj h ALA 580 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xsj h ALA 580 CO 0.01 0.03 -0.24 -0.97 0.00 0.00 0.00 179.25 178.08 1xsj h ASN 581 N 0.64 0.60 0.19 0.00 -0.73 -1.21 0.32 115.58 115.39 1xsj h ASN 581 Ca 0.23 -0.21 -0.35 0.00 1.87 0.00 0.00 56.30 57.84 1xsj h ASN 581 Cb 0.06 -0.16 0.01 0.00 0.27 0.00 0.00 38.32 38.49 1xsj h ASN 581 CO -0.11 0.83 -1.75 0.00 -0.37 0.00 0.00 177.43 176.03 1xsj h ALA 582 N 1.21 0.14 0.00 1.57 0.00 -0.94 -3.42 119.26 117.83 1xsj h ALA 582 Ca 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1xsj h ALA 582 Cb 0.70 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xsj h ALA 582 CO 0.05 1.01 0.00 0.54 0.00 0.00 0.00 179.25 180.85 1xsj n ARG 583 N -3.60 0.69 -1.27 0.00 1.74 0.60 -5.01 116.66 109.81 1xsj n ARG 583 Ca -0.25 -0.33 -0.09 0.00 -0.77 0.00 0.00 57.85 56.41 1xsj n ARG 583 Cb 1.07 -0.81 -0.04 0.00 -1.02 0.00 0.00 32.46 31.66 1xsj n ARG 583 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsj n GLY 584 N 0.19 1.09 3.57 -0.13 0.00 0.11 -3.17 105.19 106.86 1xsj n GLY 584 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1xsj n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsj s THR 585 N -2.33 4.57 0.74 2.61 2.01 -1.24 -4.73 115.64 117.27 1xsj s THR 585 Ca 0.00 0.83 -0.12 0.00 0.31 0.00 0.00 61.69 62.71 1xsj s THR 585 Cb 0.00 -4.35 0.04 0.00 0.01 0.00 0.00 72.50 68.20 1xsj s THR 585 CO 0.00 -0.68 1.11 -2.16 -0.69 0.00 0.00 174.62 172.21 1xsj s PRO 586 N 3.51 2.32 0.10 4.92 0.04 -1.26 -3.05 135.00 141.57 1xsj s PRO 586 Ca 0.35 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1xsj s PRO 586 Cb -0.11 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1xsj s PRO 586 CO 0.22 -1.62 1.44 0.52 0.04 0.00 0.00 177.00 177.61 1xsj h MET 587 N -0.75 0.68 -5.36 4.56 2.86 -1.72 -3.39 114.93 111.81 1xsj h MET 587 Ca -0.45 -0.33 -0.66 0.00 -2.06 0.00 0.00 59.70 56.20 1xsj h MET 587 Cb 1.24 -0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.75 1xsj h MET 587 CO 0.51 0.94 0.12 1.41 1.06 0.00 0.00 176.91 180.95 1xsj s MET 588 N -4.46 3.26 -0.13 1.72 -2.45 -1.26 -1.04 119.30 114.94 1xsj s MET 588 Ca -0.13 -0.43 -0.01 0.00 -1.25 0.00 0.00 55.69 53.87 1xsj s MET 588 Cb 0.09 -3.97 -0.02 0.00 1.25 0.00 0.00 34.83 32.18 1xsj s MET 588 CO 0.82 -1.04 -0.09 1.03 1.05 0.00 0.00 175.02 176.79 1xsj s ARG 589 N 2.82 3.38 0.58 4.11 0.52 0.18 -4.75 118.95 125.79 1xsj s ARG 589 Ca 0.22 -0.60 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 1xsj s ARG 589 Cb -0.15 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 1xsj s ARG 589 CO 0.18 0.30 1.26 0.00 0.02 0.00 0.00 175.30 177.06 1xsj n ALA 590 N 3.31 1.14 -0.27 2.13 0.00 -1.26 -0.80 120.51 124.76 1xsj n ALA 590 Ca -0.18 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 1xsj n ALA 590 Cb 0.53 -2.29 0.07 0.00 0.00 0.00 0.00 19.45 17.75 1xsj n ALA 590 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xsj h MET 591 N 0.98 0.97 -0.35 0.00 0.00 -1.81 -1.14 114.93 113.58 1xsj h MET 591 Ca -0.50 -0.06 0.10 0.00 0.00 0.00 0.00 59.70 59.24 1xsj h MET 591 Cb 1.33 -0.22 -0.01 0.00 0.00 0.00 0.00 31.60 32.70 1xsj h MET 591 CO 0.55 0.64 0.26 0.00 0.00 0.00 0.00 176.91 178.36 1xsj h MET 592 N 1.00 0.00 -0.07 1.72 -0.00 -1.84 -0.69 114.93 115.05 1xsj h MET 592 Ca 0.28 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.74 1xsj h MET 592 Cb -0.09 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.52 1xsj h MET 592 CO -0.07 0.00 -0.89 1.98 -0.00 0.00 0.00 176.91 177.93 1xsj h MET 593 N 0.00 0.66 0.00 -0.10 1.85 -1.56 -2.89 114.93 112.89 1xsj h MET 593 Ca 0.16 -0.62 -0.19 0.00 -0.61 0.00 0.00 59.70 58.44 1xsj h MET 593 Cb 0.68 0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.84 1xsj h MET 593 CO -0.00 1.23 -1.09 1.49 -0.40 0.00 0.00 176.91 178.13 1xsj h GLU 594 N 0.41 0.00 -2.12 0.39 4.57 -1.29 -3.40 114.58 113.14 1xsj h GLU 594 Ca -0.08 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.53 1xsj h GLU 594 Cb 1.53 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.71 1xsj h GLU 594 CO 0.17 0.62 -0.85 1.19 -1.18 0.00 0.00 179.01 178.96 1xsj n PHE 595 N -3.16 1.99 0.25 0.92 3.01 -0.32 -4.97 117.46 115.17 1xsj n PHE 595 Ca -0.05 -3.90 0.11 0.00 1.01 0.00 0.00 57.45 54.63 1xsj n PHE 595 Cb 0.89 -0.46 0.63 0.00 -0.01 0.00 0.00 39.48 40.52 1xsj n PHE 595 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xsj h PRO 596 N 3.68 0.00 -0.00 -1.08 0.13 -1.72 -1.90 132.00 131.11 1xsj h PRO 596 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xsj h PRO 596 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1xsj h PRO 596 CO 0.67 0.17 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.29 1xsj n ASP 597 N -3.59 0.21 -4.44 1.44 8.00 -1.26 -4.81 116.55 112.10 1xsj n ASP 597 Ca -0.01 -0.25 -0.44 0.00 0.71 0.00 0.00 54.79 54.80 1xsj n ASP 597 Cb 0.31 -0.20 -0.09 0.00 -0.02 0.00 0.00 41.12 41.12 1xsj n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsj s ASP 598 N -2.60 6.15 0.47 -2.24 -1.08 -0.72 -4.93 116.67 111.72 1xsj s ASP 598 Ca 0.26 -1.00 0.32 0.00 -0.52 0.00 0.00 52.55 51.61 1xsj s ASP 598 Cb 0.20 -2.19 1.64 0.00 -1.46 0.00 0.00 42.92 41.11 1xsj s ASP 598 CO 0.49 -0.58 1.98 1.55 0.52 0.00 0.00 175.17 179.13 1xsj h PRO 599 N 8.72 0.00 0.00 4.34 0.13 -1.87 -1.32 132.00 142.00 1xsj h PRO 599 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xsj h PRO 599 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xsj h PRO 599 CO 0.81 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 1xsj h ALA 600 N 2.04 1.00 -0.01 -0.56 0.00 -1.94 -3.23 119.26 116.56 1xsj h ALA 600 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsj h ALA 600 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xsj h ALA 600 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 1xsj h ASP 602 N 0.97 1.04 -0.27 0.00 3.32 -1.70 -3.01 116.42 116.77 1xsj h ASP 602 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xsj h ASP 602 Cb 0.47 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xsj h ASP 602 CO 0.00 0.68 0.00 -1.22 -1.72 0.00 0.00 179.24 176.98 1xsj n TYR 603 N -4.50 0.54 -2.45 4.55 4.01 -1.26 -4.88 117.16 113.17 1xsj n TYR 603 Ca 0.15 -0.64 -0.43 0.00 -0.16 0.00 0.00 57.90 56.82 1xsj n TYR 603 Cb 0.16 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1xsj n TYR 603 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsj s LEU 604 N -1.64 4.20 0.00 7.72 1.43 -1.14 -4.83 118.68 124.43 1xsj s LEU 604 Ca 0.27 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1xsj s LEU 604 Cb 0.18 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1xsj s LEU 604 CO 0.12 -0.70 0.32 -0.90 0.23 0.00 0.00 176.35 175.41 1xsj n ASP 605 N 6.16 0.28 -0.77 2.29 3.85 -1.26 -4.51 116.55 122.59 1xsj n ASP 605 Ca 0.13 -1.08 0.08 0.00 -0.71 0.00 0.00 54.79 53.20 1xsj n ASP 605 Cb 0.45 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.36 1xsj n ASP 605 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsj n ARG 606 N -0.04 1.93 -4.04 0.11 1.74 -1.26 -4.58 116.66 110.53 1xsj n ARG 606 Ca 0.00 -1.83 -0.10 0.00 -0.77 0.00 0.00 57.85 55.15 1xsj n ARG 606 Cb 0.31 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 1xsj n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsj s GLN 607 N -1.19 1.40 0.26 5.56 -2.07 -1.26 -3.93 119.66 118.42 1xsj s GLN 607 Ca 0.25 -1.32 -0.22 0.00 -1.82 0.00 0.00 55.36 52.26 1xsj s GLN 607 Cb 0.15 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 32.51 1xsj s GLN 607 CO 0.21 -0.55 0.76 1.52 -1.32 0.00 0.00 175.29 175.91 1xsj s TYR 608 N -4.04 -0.18 -0.16 9.60 -0.85 0.28 -4.60 117.35 117.39 1xsj s TYR 608 Ca 0.25 -0.26 -0.08 0.00 -0.52 0.00 0.00 57.07 56.46 1xsj s TYR 608 Cb 0.02 0.70 -0.04 0.00 0.38 0.00 0.00 41.96 43.01 1xsj s TYR 608 CO 0.08 -1.18 0.13 -1.64 -1.52 0.00 0.00 175.55 171.42 1xsj s MET 609 N -3.82 3.84 -0.73 -3.49 -1.94 0.02 0.04 119.30 113.22 1xsj s MET 609 Ca 0.11 -0.20 -0.09 0.00 -1.71 0.00 0.00 55.69 53.80 1xsj s MET 609 Cb -0.05 -3.30 0.19 0.00 2.01 0.00 0.00 34.83 33.68 1xsj s MET 609 CO 0.06 0.50 0.62 -1.17 -0.01 0.00 0.00 175.02 175.02 1xsj s LEU 610 N -0.23 6.11 0.00 -0.03 2.96 0.93 -0.65 118.68 127.77 1xsj s LEU 610 Ca 0.11 -2.72 0.00 0.00 -0.22 0.00 0.00 54.13 51.30 1xsj s LEU 610 Cb -0.11 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1xsj s LEU 610 CO 0.01 -0.50 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 1xsj n GLY 611 N 3.83 -2.23 0.37 7.98 0.00 -0.21 -4.05 105.19 110.88 1xsj n GLY 611 Ca 0.10 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.74 1xsj n GLY 611 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xsj h ASP 612 N 0.00 0.48 0.00 1.61 3.32 -1.92 -3.38 116.42 116.53 1xsj h ASP 612 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xsj h ASP 612 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1xsj h ASP 612 CO 0.00 0.27 -0.56 0.59 -1.72 0.00 0.00 179.24 177.82 1xsj n ASN 613 N -4.49 1.91 -4.29 6.45 3.02 -1.26 -4.96 115.26 111.64 1xsj n ASN 613 Ca 0.13 -0.33 -0.33 0.00 -0.03 0.00 0.00 54.58 54.02 1xsj n ASN 613 Cb 0.43 1.06 -0.15 0.00 -0.61 0.00 0.00 39.78 40.51 1xsj n ASN 613 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsj s VAL 614 N -1.67 2.73 -0.27 2.41 0.11 -1.26 -1.01 120.40 121.45 1xsj s VAL 614 Ca 0.00 -0.76 -0.14 0.00 -2.93 0.00 0.00 61.98 58.16 1xsj s VAL 614 Cb 0.02 -2.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 1xsj s VAL 614 CO 0.12 0.52 0.33 -0.32 -3.33 0.00 0.00 175.10 172.42 1xsj s MET 615 N 0.69 4.01 -0.11 1.54 1.75 0.00 -0.05 119.30 127.13 1xsj s MET 615 Ca -0.07 -0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.31 1xsj s MET 615 Cb -0.16 -3.65 -0.03 0.00 2.84 0.00 0.00 34.83 33.83 1xsj s MET 615 CO 0.02 -0.24 -0.02 0.54 -0.65 0.00 0.00 175.02 174.66 1xsj s VAL 616 N 1.96 4.09 -0.42 10.11 0.11 0.11 -1.55 120.40 134.80 1xsj s VAL 616 Ca 0.13 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1xsj s VAL 616 Cb -0.16 -2.73 0.13 0.00 -1.53 0.00 0.00 36.38 32.09 1xsj s VAL 616 CO 0.10 0.57 0.21 0.00 -3.33 0.00 0.00 175.10 172.65 1xsj s ALA 617 N -0.46 2.23 0.81 1.54 0.00 -0.83 -0.56 121.76 124.49 1xsj s ALA 617 Ca 0.08 -2.53 -0.14 0.00 0.00 0.00 0.00 51.96 49.37 1xsj s ALA 617 Cb -0.12 -1.89 0.06 0.00 0.00 0.00 0.00 23.12 21.17 1xsj s ALA 617 CO 0.02 -1.99 0.98 -2.30 0.00 0.00 0.00 175.76 172.47 1xsj n PRO 618 N 3.72 0.13 -3.84 0.00 -0.02 -1.25 -4.03 135.00 129.71 1xsj n PRO 618 Ca 0.06 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 1xsj n PRO 618 Cb 0.36 -2.25 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 1xsj n PRO 618 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsj s VAL 619 N -2.13 4.75 -0.32 -1.45 1.01 -1.26 -4.97 120.40 116.04 1xsj s VAL 619 Ca 0.70 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.74 1xsj s VAL 619 Cb -0.29 -3.19 0.59 0.00 0.00 0.00 0.00 36.38 33.48 1xsj s VAL 619 CO 0.54 0.38 1.62 0.49 0.00 0.00 0.00 175.10 178.13 1xsj n PHE 620 N 4.27 1.74 -3.99 5.22 3.72 -1.26 -4.83 117.46 122.33 1xsj n PHE 620 Ca -0.16 -1.49 -0.10 0.00 -0.05 0.00 0.00 57.45 55.65 1xsj n PHE 620 Cb 0.52 -0.60 -0.11 0.00 -0.94 0.00 0.00 39.48 38.34 1xsj n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsj s THR 621 N -3.16 0.17 0.06 4.37 -4.23 -1.26 -4.92 115.64 106.67 1xsj s THR 621 Ca 0.49 -0.89 -0.29 0.00 -1.18 0.00 0.00 61.69 59.82 1xsj s THR 621 Cb 0.42 -0.30 -0.18 0.00 1.34 0.00 0.00 72.50 73.78 1xsj s THR 621 CO 0.06 -0.45 1.58 -0.08 -0.54 0.00 0.00 174.62 175.18 1xsj h GLU 622 N 4.71 -0.58 0.00 3.99 4.81 -1.93 -3.00 114.58 122.58 1xsj h GLU 622 Ca -0.32 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1xsj h GLU 622 Cb 1.21 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1xsj h GLU 622 CO 0.42 -0.36 0.00 0.00 -0.73 0.00 0.00 179.01 178.34 1xsj h ALA 623 N -0.14 1.00 0.00 2.92 0.00 -1.97 -3.46 119.26 117.61 1xsj h ALA 623 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xsj h ALA 623 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xsj h ALA 623 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1xsj n GLY 624 N -0.70 0.78 3.76 0.00 0.00 -1.13 -4.63 105.19 103.26 1xsj n GLY 624 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1xsj n GLY 624 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsj s ASP 625 N -2.42 5.76 -0.27 1.61 1.01 -1.26 -1.33 116.67 119.77 1xsj s ASP 625 Ca 0.00 2.73 -0.23 0.00 0.71 0.00 0.00 52.55 55.76 1xsj s ASP 625 Cb 0.00 -2.64 0.07 0.00 1.01 0.00 0.00 42.92 41.37 1xsj s ASP 625 CO 0.00 -1.23 0.71 0.54 0.21 0.00 0.00 175.17 175.40 1xsj s VAL 626 N -1.30 -0.00 -0.04 -1.27 0.11 -0.70 -4.43 120.40 112.77 1xsj s VAL 626 Ca 0.65 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 1xsj s VAL 626 Cb -0.39 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1xsj s VAL 626 CO 0.49 0.00 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.95 1xsj s GLN 627 N 0.66 1.98 0.07 1.54 -0.21 -1.26 -1.43 119.66 121.01 1xsj s GLN 627 Ca -0.02 -0.73 -0.14 0.00 0.02 0.00 0.00 55.36 54.49 1xsj s GLN 627 Cb -0.05 -1.75 0.02 0.00 1.00 0.00 0.00 33.01 32.23 1xsj s GLN 627 CO -0.04 0.34 0.31 -0.59 -2.12 0.00 0.00 175.29 173.19 1xsj s PHE 628 N -0.16 -0.09 -0.03 0.91 -0.12 -0.55 -4.99 117.98 112.96 1xsj s PHE 628 Ca -0.01 -0.13 -0.00 0.00 -0.05 0.00 0.00 56.93 56.74 1xsj s PHE 628 Cb -0.11 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1xsj s PHE 628 CO 0.02 -0.56 0.02 -0.47 -0.05 0.00 0.00 175.22 174.18 1xsj s TYR 629 N -3.05 3.15 -0.14 3.49 5.04 -1.26 -0.27 117.35 124.30 1xsj s TYR 629 Ca -0.01 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.78 1xsj s TYR 629 Cb 0.01 -1.72 0.01 0.00 0.35 0.00 0.00 41.96 40.61 1xsj s TYR 629 CO -0.07 0.49 -0.20 -0.51 -1.34 0.00 0.00 175.55 173.92 1xsj s LEU 630 N -1.37 2.04 0.84 6.97 1.02 -0.85 -4.99 118.68 122.34 1xsj s LEU 630 Ca 0.18 -0.59 -0.10 0.00 0.02 0.00 0.00 54.13 53.64 1xsj s LEU 630 Cb -0.12 -1.39 0.10 0.00 0.02 0.00 0.00 46.19 44.80 1xsj s LEU 630 CO 0.08 0.05 1.12 -2.84 0.02 0.00 0.00 176.35 174.78 1xsj s PRO 631 N 0.96 1.64 0.09 1.29 0.02 -1.26 0.60 135.00 138.35 1xsj s PRO 631 Ca -0.04 1.36 -0.35 0.00 0.02 0.00 0.00 61.00 62.00 1xsj s PRO 631 Cb -0.15 -1.81 -0.18 0.00 0.02 0.00 0.00 34.50 32.38 1xsj s PRO 631 CO -0.05 -2.14 0.90 -1.91 -0.33 0.00 0.00 177.00 173.48 1xsj n GLU 632 N -3.87 0.19 0.00 5.54 2.13 -1.26 -3.33 120.64 120.03 1xsj n GLU 632 Ca 0.10 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1xsj n GLU 632 Cb 0.52 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1xsj n GLU 632 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsj n GLY 633 N 1.76 0.98 3.31 8.31 0.00 -1.26 -4.81 105.19 113.48 1xsj n GLY 633 Ca 0.19 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1xsj n GLY 633 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xsj s ARG 634 N -1.10 2.95 0.18 1.61 3.52 -1.26 -0.11 118.95 124.74 1xsj s ARG 634 Ca 0.00 -0.95 0.04 0.00 -0.13 0.00 0.00 55.73 54.69 1xsj s ARG 634 Cb 0.00 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1xsj s ARG 634 CO 0.00 -0.49 0.27 -1.58 -0.81 0.00 0.00 175.30 172.70 1xsj s TRP 635 N 1.45 3.41 -0.05 5.12 0.52 0.24 -2.98 118.94 126.66 1xsj s TRP 635 Ca 0.01 0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.20 1xsj s TRP 635 Cb -0.18 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1xsj s TRP 635 CO 0.02 0.50 -0.08 0.99 0.02 0.00 0.00 176.95 178.40 1xsj s THR 636 N -1.82 0.77 0.27 2.01 2.01 -0.82 -1.13 115.64 116.92 1xsj s THR 636 Ca 0.34 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1xsj s THR 636 Cb -0.10 -0.73 -0.11 0.00 0.01 0.00 0.00 72.50 71.57 1xsj s THR 636 CO 0.28 0.27 1.55 -2.28 -0.69 0.00 0.00 174.62 173.75 1xsj s HIS 637 N 0.66 2.86 0.37 4.92 2.46 0.48 -0.17 115.29 126.88 1xsj s HIS 637 Ca -0.11 0.82 0.07 0.00 0.47 0.00 0.00 55.06 56.31 1xsj s HIS 637 Cb -0.14 -3.99 0.78 0.00 -0.13 0.00 0.00 32.58 29.11 1xsj s HIS 637 CO 0.01 -3.35 1.97 1.25 -2.47 0.00 0.00 174.74 172.16 1xsj h LEU 638 N 5.15 0.61 0.00 8.88 5.85 -1.26 -2.33 115.31 132.22 1xsj h LEU 638 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1xsj h LEU 638 Cb 1.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1xsj h LEU 638 CO 0.81 0.40 -0.84 -2.67 -0.34 0.00 0.00 178.44 175.80 1xsj n TRP 639 N -4.48 0.00 0.24 1.25 2.14 -1.26 -4.71 117.44 110.62 1xsj n TRP 639 Ca 0.10 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.80 1xsj n TRP 639 Cb 0.23 0.00 0.33 0.00 -0.81 0.00 0.00 31.31 31.05 1xsj n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsj h HIS 640 N 0.00 0.00 0.00 -2.67 3.86 -1.94 -3.47 115.15 110.92 1xsj h HIS 640 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsj h HIS 640 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1xsj h HIS 640 CO 0.00 0.01 0.00 -1.71 0.86 0.00 0.00 177.93 177.09 1xsj n ASN 641 N -3.10 -4.31 -4.81 2.45 5.15 -0.88 -4.95 115.26 104.82 1xsj n ASN 641 Ca 0.03 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.68 1xsj n ASN 641 Cb 0.46 -2.73 0.01 0.00 -0.53 0.00 0.00 39.78 36.99 1xsj n ASN 641 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1xsj s ASP 642 N -2.04 5.86 -0.02 1.20 -4.77 -1.26 -4.65 116.67 110.99 1xsj s ASP 642 Ca 0.00 1.79 0.07 0.00 -3.30 0.00 0.00 52.55 51.10 1xsj s ASP 642 Cb 0.00 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 39.28 1xsj s ASP 642 CO 0.00 -1.11 -0.22 -1.61 0.70 0.00 0.00 175.17 172.93 1xsj s GLU 643 N -4.10 2.21 -0.02 2.11 2.02 -1.26 -0.39 118.70 119.27 1xsj s GLU 643 Ca 0.63 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.77 1xsj s GLU 643 Cb -0.15 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.92 1xsj s GLU 643 CO 0.37 0.58 -0.09 -0.51 0.02 0.00 0.00 175.26 175.62 1xsj s LEU 644 N -0.76 1.81 0.09 1.80 1.43 -0.29 -4.97 118.68 117.79 1xsj s LEU 644 Ca 0.11 -0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 52.78 1xsj s LEU 644 Cb -0.10 -0.54 -0.06 0.00 0.03 0.00 0.00 46.19 45.51 1xsj s LEU 644 CO 0.00 0.07 0.74 -1.81 0.23 0.00 0.00 176.35 175.58 1xsj s ASP 645 N 0.15 7.25 0.16 2.29 1.01 -1.26 -0.59 116.67 125.69 1xsj s ASP 645 Ca -0.02 1.49 0.00 0.00 0.71 0.00 0.00 52.55 54.72 1xsj s ASP 645 Cb -0.08 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1xsj s ASP 645 CO 0.00 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.10 1xsj n GLY 646 N 2.06 0.11 2.44 0.21 0.00 0.85 -4.62 105.19 106.23 1xsj n GLY 646 Ca -0.04 -1.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1xsj n GLY 646 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsj n SER 647 N -0.75 -4.87 -3.78 1.61 7.64 0.20 -4.68 113.62 108.98 1xsj n SER 647 Ca 0.00 0.36 -0.09 0.00 1.01 0.00 0.00 58.87 60.15 1xsj n SER 647 Cb 0.00 -3.77 -0.04 0.00 -1.01 0.00 0.00 64.21 59.39 1xsj n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsj s ARG 648 N -3.44 1.44 0.46 1.43 1.70 -1.02 -4.94 118.95 114.58 1xsj s ARG 648 Ca 0.00 -0.93 -0.14 0.00 -0.47 0.00 0.00 55.73 54.20 1xsj s ARG 648 Cb 0.00 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.83 1xsj s ARG 648 CO 0.00 -0.62 0.88 -1.58 -1.08 0.00 0.00 175.30 172.90 1xsj s TRP 649 N -3.90 3.46 0.06 5.89 0.52 -1.26 -2.00 118.94 121.71 1xsj s TRP 649 Ca 0.11 1.26 0.04 0.00 0.02 0.00 0.00 56.10 57.53 1xsj s TRP 649 Cb -0.01 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.66 1xsj s TRP 649 CO -0.00 -0.23 -0.11 -1.01 0.02 0.00 0.00 176.95 175.61 1xsj s HIS 650 N -2.49 0.97 -0.09 -1.98 3.76 0.63 -4.96 115.29 111.13 1xsj s HIS 650 Ca 0.55 -0.47 0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1xsj s HIS 650 Cb -0.10 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.03 1xsj s HIS 650 CO 0.31 -0.01 -0.22 0.21 -0.85 0.00 0.00 174.74 174.18 1xsj s LYS 651 N -1.65 2.70 0.23 1.40 2.20 -1.26 -1.48 119.74 121.89 1xsj s LYS 651 Ca -0.05 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1xsj s LYS 651 Cb -0.10 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1xsj s LYS 651 CO 0.01 0.19 0.22 -0.65 -0.36 0.00 0.00 175.35 174.76 1xsj s GLN 652 N 0.31 1.37 -0.05 4.03 -0.21 -0.51 -5.01 119.66 119.59 1xsj s GLN 652 Ca -0.15 -1.65 0.01 0.00 0.02 0.00 0.00 55.36 53.59 1xsj s GLN 652 Cb -0.17 0.31 0.02 0.00 1.00 0.00 0.00 33.01 34.18 1xsj s GLN 652 CO 0.07 -0.48 -0.06 -1.14 -2.12 0.00 0.00 175.29 171.56 1xsj s GLN 653 N -3.97 1.04 0.01 2.91 0.74 -1.26 -1.72 119.66 117.40 1xsj s GLN 653 Ca 0.37 -0.17 0.06 0.00 0.05 0.00 0.00 55.36 55.67 1xsj s GLN 653 Cb 0.05 -0.99 -0.02 0.00 1.10 0.00 0.00 33.01 33.15 1xsj s GLN 653 CO 0.15 -0.07 -0.19 -1.01 -0.55 0.00 0.00 175.29 173.61 1xsj s HIS 654 N 0.92 1.72 1.06 1.67 3.76 -0.44 -4.96 115.29 119.00 1xsj s HIS 654 Ca -0.11 -0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 54.28 1xsj s HIS 654 Cb -0.15 -1.08 0.25 0.00 1.11 0.00 0.00 32.58 32.72 1xsj s HIS 654 CO 0.00 0.01 1.20 0.41 -0.85 0.00 0.00 174.74 175.52 1xsj n GLY 655 N 2.35 -2.02 0.00 -2.22 0.00 -1.26 -4.36 105.19 97.67 1xsj n GLY 655 Ca -0.16 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1xsj n GLY 655 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xsj n PHE 656 N -4.21 0.03 -0.34 1.61 3.72 -1.26 -1.95 117.46 115.06 1xsj n PHE 656 Ca 0.16 0.01 0.11 0.00 -0.05 0.00 0.00 57.45 57.68 1xsj n PHE 656 Cb 0.57 -0.52 0.32 0.00 -0.94 0.00 0.00 39.48 38.92 1xsj n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsj n LEU 657 N -1.52 4.02 -3.99 4.37 4.32 -1.26 -4.86 117.00 118.07 1xsj n LEU 657 Ca 0.04 -2.02 -0.08 0.00 -0.02 0.00 0.00 56.01 53.94 1xsj n LEU 657 Cb 0.22 -0.50 -0.09 0.00 -1.62 0.00 0.00 43.42 41.43 1xsj n LEU 657 CO 0.18 0.92 -0.22 -0.55 -1.22 0.00 0.00 177.39 176.49 1xsj s SER 658 N -0.97 0.29 -0.14 -1.43 0.15 -0.82 -5.03 113.70 105.75 1xsj s SER 658 Ca 0.48 -0.87 -0.33 0.00 0.70 0.00 0.00 55.95 55.94 1xsj s SER 658 Cb 0.27 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.99 1xsj s SER 658 CO 0.30 -0.69 1.11 -1.48 1.20 0.00 0.00 173.24 173.68 1xsj s LEU 659 N -2.91 -0.22 -0.12 3.45 2.34 -1.26 -4.60 118.68 115.37 1xsj s LEU 659 Ca 0.09 0.03 -0.29 0.00 0.06 0.00 0.00 54.13 54.02 1xsj s LEU 659 Cb 0.06 1.59 -0.05 0.00 -0.56 0.00 0.00 46.19 47.23 1xsj s LEU 659 CO -0.08 -0.34 1.87 -2.84 -1.06 0.00 0.00 176.35 173.89 1xsj s PRO 660 N -2.47 3.79 -0.33 1.48 0.02 -1.26 -4.94 135.00 131.30 1xsj s PRO 660 Ca 0.07 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 1xsj s PRO 660 Cb -0.01 -4.15 0.11 0.00 0.02 0.00 0.00 34.50 30.47 1xsj s PRO 660 CO -0.06 -1.33 0.15 0.08 -0.33 0.00 0.00 177.00 175.52 1xsj s VAL 661 N 5.56 0.55 -0.07 3.83 1.01 -1.26 -1.97 120.40 128.05 1xsj s VAL 661 Ca 0.84 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1xsj s VAL 661 Cb -0.33 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1xsj s VAL 661 CO 0.34 -0.78 -0.20 -0.31 0.00 0.00 0.00 175.10 174.15 1xsj s TYR 662 N 1.48 2.58 -0.17 5.22 2.02 -0.60 -0.68 117.35 127.21 1xsj s TYR 662 Ca 0.12 -0.59 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 1xsj s TYR 662 Cb -0.19 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 1xsj s TYR 662 CO -0.20 -0.13 0.14 0.08 -1.57 0.00 0.00 175.55 173.87 1xsj s VAL 663 N -0.18 5.45 0.53 0.71 1.01 0.77 -0.82 120.40 127.87 1xsj s VAL 663 Ca -0.02 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 1xsj s VAL 663 Cb -0.14 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1xsj s VAL 663 CO 0.03 0.51 1.23 -1.14 0.00 0.00 0.00 175.10 175.73 1xsj n ARG 664 N 2.89 1.51 -0.49 2.72 0.63 -0.18 -1.95 116.66 121.79 1xsj n ARG 664 Ca -0.18 0.56 -0.28 0.00 -0.92 0.00 0.00 57.85 57.03 1xsj n ARG 664 Cb 0.53 -2.41 0.26 0.00 0.45 0.00 0.00 32.46 31.30 1xsj n ARG 664 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1xsj s ASP 665 N -0.92 0.61 -1.57 6.15 3.84 -1.16 -3.87 116.67 119.75 1xsj s ASP 665 Ca 0.70 1.45 -0.09 0.00 -0.00 0.00 0.00 52.55 54.62 1xsj s ASP 665 Cb -0.44 -2.24 0.07 0.00 -1.38 0.00 0.00 42.92 38.93 1xsj s ASP 665 CO 0.51 -4.42 0.51 0.59 -0.00 0.00 0.00 175.17 172.36 1xsj n ASN 666 N -5.06 -1.39 -4.24 2.11 3.02 -0.55 -4.96 115.26 104.20 1xsj n ASN 666 Ca 0.03 -1.06 -0.29 0.00 -0.03 0.00 0.00 54.58 53.22 1xsj n ASN 666 Cb 0.55 -2.66 -0.16 0.00 -0.61 0.00 0.00 39.78 36.89 1xsj n ASN 666 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsj s THR 667 N -3.72 1.85 -0.21 3.41 2.01 -0.99 -4.54 115.64 113.45 1xsj s THR 667 Ca 0.34 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1xsj s THR 667 Cb -0.18 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.81 1xsj s THR 667 CO 0.93 0.52 -0.15 -0.22 -0.69 0.00 0.00 174.62 175.00 1xsj s LEU 668 N -0.26 2.53 -0.10 4.42 2.96 -1.26 0.04 118.68 127.01 1xsj s LEU 668 Ca 0.01 -0.90 0.03 0.00 -0.22 0.00 0.00 54.13 53.05 1xsj s LEU 668 Cb -0.12 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1xsj s LEU 668 CO 0.02 -0.08 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.54 1xsj s LEU 669 N 1.26 1.98 -0.19 -0.68 2.96 -0.35 -4.34 118.68 119.31 1xsj s LEU 669 Ca -0.00 -0.51 -0.18 0.00 -0.22 0.00 0.00 54.13 53.21 1xsj s LEU 669 Cb -0.16 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1xsj s LEU 669 CO -0.10 0.11 0.52 0.00 -1.32 0.00 0.00 176.35 175.56 1xsj s ALA 670 N 0.55 3.53 -0.04 5.97 0.00 -1.26 -0.51 121.76 130.00 1xsj s ALA 670 Ca -0.15 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1xsj s ALA 670 Cb -0.17 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1xsj s ALA 670 CO 0.05 -0.39 -0.14 -0.51 0.00 0.00 0.00 175.76 174.77 1xsj s LEU 671 N 1.52 2.74 0.69 0.00 1.02 -0.54 -3.08 118.68 121.04 1xsj s LEU 671 Ca 0.24 -0.20 -0.02 0.00 0.02 0.00 0.00 54.13 54.17 1xsj s LEU 671 Cb -0.15 -1.56 0.10 0.00 0.02 0.00 0.00 46.19 44.60 1xsj s LEU 671 CO 0.10 0.34 0.96 -0.83 0.02 0.00 0.00 176.35 176.94 1xsj s GLY 672 N -0.79 1.77 -0.12 -3.19 0.00 0.39 -0.64 107.32 104.74 1xsj s GLY 672 Ca 0.12 -1.51 0.15 0.00 0.00 0.00 0.00 44.72 43.48 1xsj s GLY 672 CO 0.01 -1.02 1.44 1.16 0.00 0.00 0.00 173.10 174.69 1xsj n ASN 673 N -2.78 3.91 -3.99 1.64 6.94 -1.26 -4.75 115.26 114.97 1xsj n ASN 673 Ca 0.12 -2.61 -0.30 0.00 -0.02 0.00 0.00 54.58 51.77 1xsj n ASN 673 Cb 0.60 -0.47 -0.16 0.00 -2.36 0.00 0.00 39.78 37.39 1xsj n ASN 673 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xsj s ASN 674 N -1.40 2.84 -0.27 0.53 3.84 -1.26 -5.00 114.94 114.23 1xsj s ASN 674 Ca 0.39 -0.59 0.11 0.00 0.21 0.00 0.00 52.86 52.98 1xsj s ASN 674 Cb 0.28 -1.14 0.56 0.00 -0.55 0.00 0.00 41.25 40.40 1xsj s ASN 674 CO 0.14 -0.10 1.53 -0.90 -2.79 0.00 0.00 177.10 174.99 1xsj n ASP 675 N 4.77 3.35 -0.00 -4.21 5.68 -1.26 -3.35 116.55 121.53 1xsj n ASP 675 Ca -0.16 -3.44 0.02 0.00 -0.50 0.00 0.00 54.79 50.72 1xsj n ASP 675 Cb 0.49 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.80 1xsj n ASP 675 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xsj n GLN 676 N -0.81 1.12 -3.63 0.11 1.13 -1.26 -4.28 117.38 109.75 1xsj n GLN 676 Ca 0.32 -0.03 -0.16 0.00 -1.94 0.00 0.00 57.00 55.20 1xsj n GLN 676 Cb 1.09 -1.02 -0.07 0.00 0.11 0.00 0.00 30.24 30.34 1xsj n GLN 676 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1xsj s ARG 677 N -2.12 0.88 0.29 -1.09 1.70 -1.26 -4.75 118.95 112.59 1xsj s ARG 677 Ca -0.01 0.02 0.16 0.00 -0.47 0.00 0.00 55.73 55.43 1xsj s ARG 677 Cb 0.03 0.40 0.12 0.00 -0.57 0.00 0.00 34.95 34.93 1xsj s ARG 677 CO 0.17 -0.26 1.47 -1.00 -1.08 0.00 0.00 175.30 174.59 1xsj h PRO 678 N 3.39 0.00 -4.10 3.89 0.13 -1.87 -3.44 132.00 130.00 1xsj h PRO 678 Ca -0.28 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.09 1xsj h PRO 678 Cb 1.16 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 1xsj h PRO 678 CO 0.40 0.48 -0.24 0.16 -0.23 0.00 0.00 178.00 178.57 1xsj s ASP 679 N -6.45 6.08 0.28 1.44 -4.77 -1.26 -4.88 116.67 107.12 1xsj s ASP 679 Ca 0.04 -1.98 -0.12 0.00 -3.30 0.00 0.00 52.55 47.19 1xsj s ASP 679 Cb 0.08 -2.14 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 1xsj s ASP 679 CO 0.74 -0.76 0.52 -0.72 0.70 0.00 0.00 175.17 175.65 1xsj s TYR 680 N 1.29 0.44 -1.14 2.11 1.13 -1.26 -5.03 117.35 114.88 1xsj s TYR 680 Ca 0.06 -0.82 -0.22 0.00 -1.41 0.00 0.00 57.07 54.69 1xsj s TYR 680 Cb -0.26 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.80 1xsj s TYR 680 CO 0.00 -1.09 1.84 0.08 -2.51 0.00 0.00 175.55 173.87 1xsj s VAL 681 N -3.66 3.70 0.62 -3.49 1.01 -1.26 -4.79 120.40 112.52 1xsj s VAL 681 Ca 0.23 -1.04 0.35 0.00 0.00 0.00 0.00 61.98 61.52 1xsj s VAL 681 Cb -0.01 -4.66 0.39 0.00 0.00 0.00 0.00 36.38 32.09 1xsj s VAL 681 CO 0.11 -1.33 2.29 -0.50 0.00 0.00 0.00 175.10 175.68 1xsj h TRP 682 N 9.51 0.00 -0.07 5.22 6.55 -1.97 -2.38 115.95 132.82 1xsj h TRP 682 Ca 0.25 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.09 1xsj h TRP 682 Cb 0.94 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.24 1xsj h TRP 682 CO 1.27 0.00 0.00 -2.39 -1.05 0.00 0.00 178.44 176.27 1xsj n HIS 683 N -3.58 0.07 -4.00 0.49 1.44 -1.26 -4.39 115.22 103.98 1xsj n HIS 683 Ca -0.03 -0.03 -0.35 0.00 -2.01 0.00 0.00 57.72 55.30 1xsj n HIS 683 Cb 0.09 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.07 1xsj n HIS 683 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xsj s GLU 684 N -1.93 3.59 0.00 -1.40 2.02 -0.90 -2.29 118.70 117.79 1xsj s GLU 684 Ca 0.34 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1xsj s GLU 684 Cb 0.20 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1xsj s GLU 684 CO 0.31 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.95 1xsj n GLY 685 N 4.44 0.51 3.73 -1.39 0.00 -0.33 -4.74 105.19 107.40 1xsj n GLY 685 Ca -0.17 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1xsj n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsj n THR 686 N -2.88 0.73 -3.60 2.61 -1.04 -1.26 -4.36 114.28 104.48 1xsj n THR 686 Ca 0.00 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.43 1xsj n THR 686 Cb 0.00 -1.91 -0.09 0.00 -1.82 0.00 0.00 70.33 66.51 1xsj n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsj s ALA 687 N 0.31 3.33 0.21 2.41 0.00 0.18 -1.58 121.76 126.62 1xsj s ALA 687 Ca 0.68 -2.47 -0.27 0.00 0.00 0.00 0.00 51.96 49.90 1xsj s ALA 687 Cb -0.52 -2.72 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 1xsj s ALA 687 CO 0.44 -1.84 0.85 -0.06 0.00 0.00 0.00 175.76 175.15 1xsj s PHE 688 N 1.33 3.92 -0.10 0.00 0.08 -0.41 -1.47 117.98 121.34 1xsj s PHE 688 Ca 0.06 1.74 -0.00 0.00 0.12 0.00 0.00 56.93 58.85 1xsj s PHE 688 Cb -0.25 -2.85 0.02 0.00 -0.57 0.00 0.00 43.02 39.37 1xsj s PHE 688 CO -0.01 0.47 -0.07 -1.01 -0.10 0.00 0.00 175.22 174.50 1xsj s HIS 689 N -1.20 1.34 -0.15 0.36 3.76 0.33 -0.44 115.29 119.28 1xsj s HIS 689 Ca 0.39 -0.61 -0.11 0.00 -0.15 0.00 0.00 55.06 54.57 1xsj s HIS 689 Cb -0.24 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.28 1xsj s HIS 689 CO 0.28 -0.44 0.22 -1.17 -0.85 0.00 0.00 174.74 172.79 1xsj s LEU 690 N 1.54 4.28 -0.16 0.89 2.96 -0.32 -1.21 118.68 126.66 1xsj s LEU 690 Ca 0.01 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1xsj s LEU 690 Cb -0.13 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.33 1xsj s LEU 690 CO -0.06 0.20 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.63 1xsj s PHE 691 N 0.04 2.53 -1.01 5.38 0.08 0.11 -2.25 117.98 122.86 1xsj s PHE 691 Ca 0.14 -1.46 -0.25 0.00 0.12 0.00 0.00 56.93 55.49 1xsj s PHE 691 Cb -0.12 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1xsj s PHE 691 CO 0.03 -0.74 0.47 0.09 -0.10 0.00 0.00 175.22 174.97 1xsj n ASN 692 N 4.62 -2.75 -4.65 1.36 5.03 -1.26 -1.48 115.26 116.14 1xsj n ASN 692 Ca -0.19 -1.05 -0.43 0.00 0.87 0.00 0.00 54.58 53.78 1xsj n ASN 692 Cb 0.50 -1.26 -0.03 0.00 -1.02 0.00 0.00 39.78 37.97 1xsj n ASN 692 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsj s LEU 693 N -6.96 4.11 0.47 3.41 0.20 -1.26 -1.87 118.68 116.79 1xsj s LEU 693 Ca 0.35 1.94 -0.05 0.00 0.69 0.00 0.00 54.13 57.06 1xsj s LEU 693 Cb -0.20 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 1xsj s LEU 693 CO 0.78 -1.08 0.77 -1.10 -0.29 0.00 0.00 176.35 175.44 1xsj s GLN 694 N 4.32 3.54 0.05 1.98 -0.21 -1.26 -4.98 119.66 123.10 1xsj s GLN 694 Ca 0.72 0.16 -0.30 0.00 0.02 0.00 0.00 55.36 55.96 1xsj s GLN 694 Cb -0.29 -2.40 -0.08 0.00 1.00 0.00 0.00 33.01 31.24 1xsj s GLN 694 CO 0.28 -0.18 1.78 0.34 -2.12 0.00 0.00 175.29 175.40 1xsj s ASP 695 N -4.10 6.53 0.00 5.90 -1.08 -1.26 -1.96 116.67 120.70 1xsj s ASP 695 Ca 0.47 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 55.05 1xsj s ASP 695 Cb -0.10 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1xsj s ASP 695 CO 0.44 -0.97 0.00 0.61 0.52 0.00 0.00 175.17 175.77 1xsj n GLY 696 N 4.23 0.61 3.72 2.66 0.00 -0.61 -5.02 105.19 110.79 1xsj n GLY 696 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1xsj n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsj s HIS 697 N -2.39 3.01 -0.12 1.61 3.76 -0.83 -4.93 115.29 115.41 1xsj s HIS 697 Ca 0.00 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1xsj s HIS 697 Cb 0.00 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.22 1xsj s HIS 697 CO 0.00 0.51 -0.16 -2.00 -0.85 0.00 0.00 174.74 172.24 1xsj s GLU 698 N -2.76 2.32 -0.19 1.40 2.12 -1.26 -1.81 118.70 118.53 1xsj s GLU 698 Ca 0.28 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.95 1xsj s GLU 698 Cb -0.10 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 1xsj s GLU 698 CO 0.20 -0.08 0.05 0.00 -0.54 0.00 0.00 175.26 174.89 1xsj s ALA 699 N 1.05 3.33 0.03 6.30 0.00 -0.23 -4.93 121.76 127.30 1xsj s ALA 699 Ca -0.05 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1xsj s ALA 699 Cb -0.15 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1xsj s ALA 699 CO -0.03 0.12 -0.18 0.08 0.00 0.00 0.00 175.76 175.74 1xsj s VAL 700 N 0.49 2.76 -0.05 0.00 1.01 -1.26 -0.59 120.40 122.76 1xsj s VAL 700 Ca 0.02 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 1xsj s VAL 700 Cb -0.13 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1xsj s VAL 700 CO 0.01 0.36 0.03 0.00 0.00 0.00 0.00 175.10 175.50 1xsj s GLU 702 N 1.87 3.32 -0.21 0.00 2.02 -1.26 -1.56 118.70 122.87 1xsj s GLU 702 Ca 0.02 -0.70 -0.21 0.00 0.02 0.00 0.00 54.97 54.10 1xsj s GLU 702 Cb -0.12 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 1xsj s GLU 702 CO -0.03 -0.32 0.66 0.08 0.02 0.00 0.00 175.26 175.66 1xsj s VAL 703 N 1.53 4.99 0.45 2.63 1.01 0.17 -4.83 120.40 126.35 1xsj s VAL 703 Ca 0.04 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 1xsj s VAL 703 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1xsj s VAL 703 CO 0.02 0.07 0.74 -2.16 0.00 0.00 0.00 175.10 173.77 1xsj s PRO 704 N 2.14 3.54 0.64 2.72 0.04 -1.26 -1.11 135.00 141.71 1xsj s PRO 704 Ca 0.29 0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.42 1xsj s PRO 704 Cb -0.16 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 32.01 1xsj s PRO 704 CO 0.10 -0.13 0.91 0.00 0.04 0.00 0.00 177.00 177.92 1xsj s ALA 705 N -2.65 3.53 0.52 8.56 0.00 0.30 -4.73 121.76 127.30 1xsj s ALA 705 Ca 0.46 -1.19 0.34 0.00 0.00 0.00 0.00 51.96 51.57 1xsj s ALA 705 Cb -0.10 -2.31 1.49 0.00 0.00 0.00 0.00 23.12 22.20 1xsj s ALA 705 CO 0.43 -1.09 1.81 0.00 0.00 0.00 0.00 175.76 176.90 1xsj h ALA 706 N -0.31 2.99 -0.10 0.00 0.00 -1.93 0.10 119.26 120.01 1xsj h ALA 706 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xsj h ALA 706 Cb 1.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xsj h ALA 706 CO 0.54 -1.33 0.00 -0.40 0.00 0.00 0.00 179.25 178.06 1xsj n ASP 707 N -4.25 1.22 0.00 0.00 5.68 -1.26 -4.78 116.55 113.16 1xsj n ASP 707 Ca 0.25 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1xsj n ASP 707 Cb 1.18 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.09 1xsj n ASP 707 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsj n GLY 708 N 1.06 2.18 3.75 6.12 0.00 0.36 -5.04 105.19 113.63 1xsj n GLY 708 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1xsj n GLY 708 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsj s SER 709 N -3.39 4.32 -0.12 1.61 1.04 -1.26 -4.73 113.70 111.16 1xsj s SER 709 Ca 0.00 1.91 -0.28 0.00 0.48 0.00 0.00 55.95 58.06 1xsj s SER 709 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 1xsj s SER 709 CO 0.00 -2.16 0.93 -0.69 0.98 0.00 0.00 173.24 172.30 1xsj s VAL 710 N -2.78 4.83 -0.07 5.02 1.01 -1.26 -0.54 120.40 126.61 1xsj s VAL 710 Ca 0.63 1.88 0.15 0.00 0.00 0.00 0.00 61.98 64.64 1xsj s VAL 710 Cb -0.19 -4.24 -0.23 0.00 0.00 0.00 0.00 36.38 31.72 1xsj s VAL 710 CO 0.54 0.03 0.35 0.00 0.00 0.00 0.00 175.10 176.02 1xsj n ILE 711 N 4.56 0.00 -3.68 2.22 3.06 -0.27 -4.86 119.36 120.39 1xsj n ILE 711 Ca 0.07 -0.33 -0.11 0.00 -2.50 0.00 0.00 62.75 59.88 1xsj n ILE 711 Cb 0.49 0.22 -0.09 0.00 0.54 0.00 0.00 39.64 40.79 1xsj n ILE 711 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1xsj s PHE 712 N -3.01 -0.70 -0.14 9.51 5.36 -1.05 -0.47 117.98 127.49 1xsj s PHE 712 Ca -0.05 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1xsj s PHE 712 Cb 0.10 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 43.11 1xsj s PHE 712 CO 0.63 -0.36 -0.17 0.99 -1.46 0.00 0.00 175.22 174.85 1xsj s THR 713 N 0.97 1.74 -0.10 0.12 2.01 0.51 -0.66 115.64 120.23 1xsj s THR 713 Ca -0.06 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1xsj s THR 713 Cb -0.06 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1xsj s THR 713 CO -0.08 0.49 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.98 1xsj s LEU 714 N 1.16 2.75 -0.01 4.42 0.20 -0.60 -0.71 118.68 125.90 1xsj s LEU 714 Ca -0.01 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.58 1xsj s LEU 714 Cb -0.14 -1.60 -0.01 0.00 -0.43 0.00 0.00 46.19 44.01 1xsj s LEU 714 CO -0.06 0.23 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.56 1xsj s LYS 715 N -0.05 1.06 -0.16 1.98 1.02 0.25 -1.04 119.74 122.80 1xsj s LYS 715 Ca -0.03 -0.50 -0.00 0.00 0.02 0.00 0.00 55.97 55.47 1xsj s LYS 715 Cb -0.14 -1.03 0.04 0.00 -0.52 0.00 0.00 37.83 36.18 1xsj s LYS 715 CO 0.04 0.28 -0.08 0.00 -0.92 0.00 0.00 175.35 174.67 1xsj s ALA 716 N -0.36 1.60 -0.19 5.17 0.00 0.24 -1.16 121.76 127.07 1xsj s ALA 716 Ca 0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1xsj s ALA 716 Cb -0.05 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1xsj s ALA 716 CO -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 175.76 175.00 1xsj s ALA 717 N 1.58 2.68 -0.19 0.00 0.00 -0.17 -1.07 121.76 124.59 1xsj s ALA 717 Ca 0.02 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1xsj s ALA 717 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1xsj s ALA 717 CO -0.08 -0.24 0.35 0.50 0.00 0.00 0.00 175.76 176.30 1xsj s ARG 718 N 1.14 4.20 -0.10 0.00 3.52 -0.75 -0.74 118.95 126.22 1xsj s ARG 718 Ca 0.01 0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.79 1xsj s ARG 718 Cb -0.14 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 1xsj s ARG 718 CO -0.03 0.06 -0.07 -2.37 -0.81 0.00 0.00 175.30 172.09 1xsj n THR 719 N 4.07 0.61 0.00 4.11 5.66 0.27 -1.57 114.28 127.44 1xsj n THR 719 Ca -0.10 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1xsj n THR 719 Cb 0.51 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 1xsj n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsj n GLY 720 N 2.86 0.33 0.91 1.09 0.00 -1.26 -4.60 105.19 104.51 1xsj n GLY 720 Ca -0.18 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1xsj n GLY 720 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsj n ASN 721 N 0.00 3.60 -4.70 1.61 4.13 -1.26 -4.79 115.26 113.84 1xsj n ASN 721 Ca 0.00 -2.42 -0.35 0.00 1.68 0.00 0.00 54.58 53.49 1xsj n ASN 721 Cb 0.00 -0.40 -0.09 0.00 -1.54 0.00 0.00 39.78 37.75 1xsj n ASN 721 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xsj s THR 722 N -1.77 5.09 -0.21 3.41 2.01 -1.26 -0.45 115.64 122.45 1xsj s THR 722 Ca 0.35 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.40 1xsj s THR 722 Cb 0.23 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1xsj s THR 722 CO 0.15 0.47 -0.08 0.27 -0.69 0.00 0.00 174.62 174.74 1xsj s ILE 723 N 0.18 3.00 -0.19 1.82 -4.36 0.26 -0.56 121.20 121.35 1xsj s ILE 723 Ca 0.07 -0.66 -0.17 0.00 -0.26 0.00 0.00 60.65 59.62 1xsj s ILE 723 Cb -0.12 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 1xsj s ILE 723 CO -0.00 0.42 0.47 -0.89 0.24 0.00 0.00 174.94 175.18 1xsj s THR 724 N 1.42 5.15 -0.22 8.37 2.01 0.08 -1.01 115.64 131.44 1xsj s THR 724 Ca 0.05 0.87 -0.03 0.00 0.31 0.00 0.00 61.69 62.89 1xsj s THR 724 Cb -0.14 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1xsj s THR 724 CO -0.06 0.23 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.34 1xsj s VAL 725 N 1.35 3.05 -0.07 3.82 1.01 -0.89 -1.00 120.40 127.67 1xsj s VAL 725 Ca 0.23 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1xsj s VAL 725 Cb -0.15 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1xsj s VAL 725 CO 0.09 0.41 -0.18 0.42 0.00 0.00 0.00 175.10 175.84 1xsj s THR 726 N 1.42 1.52 0.27 3.92 -4.23 -0.31 -2.97 115.64 115.26 1xsj s THR 726 Ca 0.05 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1xsj s THR 726 Cb -0.14 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 1xsj s THR 726 CO -0.05 0.44 0.21 -0.83 -0.54 0.00 0.00 174.62 173.85 1xsj s GLY 727 N 0.35 1.49 -0.29 3.99 0.00 -0.76 -0.58 107.32 111.52 1xsj s GLY 727 Ca -0.12 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.02 1xsj s GLY 727 CO 0.05 -1.49 0.65 0.00 0.00 0.00 0.00 173.10 172.31 1xsj s ALA 728 N -2.17 -2.00 0.00 3.20 0.00 0.12 -4.93 121.76 115.96 1xsj s ALA 728 Ca 0.35 2.35 0.00 0.00 0.00 0.00 0.00 51.96 54.65 1xsj s ALA 728 Cb -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1xsj s ALA 728 CO 0.25 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1xsj n GLY 729 N 5.24 0.33 2.65 0.00 0.00 -1.26 -0.36 105.19 111.79 1xsj n GLY 729 Ca -0.13 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 1xsj n GLY 729 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsj s GLU 730 N 0.00 0.02 -0.04 1.61 2.12 0.38 -4.97 118.70 117.81 1xsj s GLU 730 Ca 0.00 0.12 -0.18 0.00 0.36 0.00 0.00 54.97 55.27 1xsj s GLU 730 Cb 0.00 -1.28 0.04 0.00 0.26 0.00 0.00 34.13 33.15 1xsj s GLU 730 CO 0.00 -0.54 0.41 0.00 -0.54 0.00 0.00 175.26 174.59 1xsj s ALA 731 N 2.17 -1.03 -0.03 6.30 0.00 -1.26 -4.38 121.76 123.53 1xsj s ALA 731 Ca 0.03 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1xsj s ALA 731 Cb -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1xsj s ALA 731 CO -0.07 -0.27 -0.17 0.15 0.00 0.00 0.00 175.76 175.39 1xsj s LYS 732 N -1.06 1.59 -1.46 0.00 3.01 -0.97 -4.90 119.74 115.95 1xsj s LYS 732 Ca -0.11 -0.61 -0.05 0.00 -1.01 0.00 0.00 55.97 54.19 1xsj s LYS 732 Cb -0.04 -1.45 0.01 0.00 -1.01 0.00 0.00 37.83 35.34 1xsj s LYS 732 CO 0.05 0.30 0.71 0.09 0.51 0.00 0.00 175.35 177.01 1xsj n ASN 733 N 2.91 -6.05 -4.79 2.83 4.13 -1.26 -1.19 115.26 111.83 1xsj n ASN 733 Ca -0.16 -0.33 -0.23 0.00 1.68 0.00 0.00 54.58 55.54 1xsj n ASN 733 Cb 0.53 -4.82 0.08 0.00 -1.54 0.00 0.00 39.78 34.03 1xsj n ASN 733 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 1xsj s TRP 734 N -3.19 2.03 0.04 3.10 1.48 -1.26 -3.73 118.94 117.40 1xsj s TRP 734 Ca 0.35 -0.19 -0.14 0.00 -1.06 0.00 0.00 56.10 55.06 1xsj s TRP 734 Cb -0.15 -2.89 0.02 0.00 -1.16 0.00 0.00 33.47 29.29 1xsj s TRP 734 CO 0.43 -1.41 0.31 0.99 -4.06 0.00 0.00 176.95 173.21 1xsj s THR 735 N -3.01 0.08 -0.16 0.66 2.01 -0.62 -4.45 115.64 110.16 1xsj s THR 735 Ca 0.63 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1xsj s THR 735 Cb -0.07 -0.90 0.05 0.00 0.01 0.00 0.00 72.50 71.59 1xsj s THR 735 CO 0.42 -0.36 0.05 -0.22 -0.69 0.00 0.00 174.62 173.83 1xsj s LEU 736 N -1.98 0.72 -0.21 4.42 1.98 -0.02 -1.29 118.68 122.31 1xsj s LEU 736 Ca -0.06 -0.59 -0.19 0.00 -2.89 0.00 0.00 54.13 50.40 1xsj s LEU 736 Cb -0.01 -0.41 -0.03 0.00 0.66 0.00 0.00 46.19 46.40 1xsj s LEU 736 CO -0.02 -0.31 0.55 0.00 -1.89 0.00 0.00 176.35 174.68 1xsj s LEU 738 N 1.78 5.23 0.13 0.00 1.43 0.13 -1.17 118.68 126.20 1xsj s LEU 738 Ca 0.25 -2.06 -0.33 0.00 -1.03 0.00 0.00 54.13 50.96 1xsj s LEU 738 Cb -0.16 -2.38 -0.13 0.00 0.03 0.00 0.00 46.19 43.56 1xsj s LEU 738 CO 0.10 -1.03 1.68 -1.14 0.23 0.00 0.00 176.35 176.19 1xsj n ARG 739 N 6.30 2.32 -2.35 1.70 3.00 -0.95 -1.05 116.66 125.63 1xsj n ARG 739 Ca 0.21 0.84 -0.17 0.00 -0.00 0.00 0.00 57.85 58.73 1xsj n ARG 739 Cb 0.49 -2.65 -0.01 0.00 0.00 0.00 0.00 32.46 30.28 1xsj n ARG 739 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xsj n ASN 740 N 4.25 -5.09 -4.17 6.15 3.02 -0.94 -4.69 115.26 113.79 1xsj n ASN 740 Ca 0.18 0.09 -0.35 0.00 -0.03 0.00 0.00 54.58 54.47 1xsj n ASN 740 Cb 0.31 -4.29 -0.13 0.00 -0.61 0.00 0.00 39.78 35.06 1xsj n ASN 740 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xsj s VAL 741 N -2.85 3.13 0.04 2.41 1.01 -0.21 -4.97 120.40 118.96 1xsj s VAL 741 Ca 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 61.98 60.52 1xsj s VAL 741 Cb 0.00 -2.88 -0.24 0.00 0.00 0.00 0.00 36.38 33.26 1xsj s VAL 741 CO 0.00 -0.24 0.97 -0.37 0.00 0.00 0.00 175.10 175.46 1xsj h VAL 742 N 6.41 1.29 -3.07 2.92 -1.51 -1.94 0.44 116.25 120.79 1xsj h VAL 742 Ca -0.19 -3.01 -0.15 0.00 -1.23 0.00 0.00 66.70 62.12 1xsj h VAL 742 Cb 1.06 2.71 -0.24 0.00 -2.13 0.00 0.00 31.29 32.69 1xsj h VAL 742 CO 0.57 0.79 -0.37 -0.75 -1.23 0.00 0.00 177.57 176.59 1xsj s LYS 743 N -2.65 0.42 0.11 5.19 2.20 -1.26 -4.72 119.74 119.02 1xsj s LYS 743 Ca -0.04 0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.87 1xsj s LYS 743 Cb 0.08 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1xsj s LYS 743 CO 0.83 -0.07 -0.18 0.54 -0.36 0.00 0.00 175.35 176.11 1xsj s VAL 744 N -0.26 1.56 -0.23 4.02 0.11 -1.26 -4.53 120.40 119.82 1xsj s VAL 744 Ca -0.04 -1.57 0.21 0.00 -2.93 0.00 0.00 61.98 57.65 1xsj s VAL 744 Cb -0.03 -1.50 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 1xsj s VAL 744 CO 0.01 -0.17 1.09 -1.13 -3.33 0.00 0.00 175.10 171.57 1xsj h ASN 745 N 3.94 0.00 -4.63 3.54 -1.24 -1.43 -3.47 115.58 112.30 1xsj h ASN 745 Ca -0.44 0.00 0.11 0.00 0.71 0.00 0.00 56.30 56.68 1xsj h ASN 745 Cb 1.19 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 40.08 1xsj h ASN 745 CO 0.43 0.17 0.50 -0.83 -1.29 0.00 0.00 177.43 176.40 1xsj s GLY 746 N -4.45 -0.46 -0.30 1.57 0.00 -0.67 -4.96 107.32 98.06 1xsj s GLY 746 Ca 0.00 1.04 -0.04 0.00 0.00 0.00 0.00 44.72 45.73 1xsj s GLY 746 CO 0.78 0.35 0.80 -2.27 0.00 0.00 0.00 173.10 172.75 1xsj s LEU 747 N -2.45 -1.04 0.11 0.66 0.20 -1.26 -1.97 118.68 112.92 1xsj s LEU 747 Ca 0.05 0.33 -0.15 0.00 0.69 0.00 0.00 54.13 55.05 1xsj s LEU 747 Cb -0.01 1.75 -0.07 0.00 -0.43 0.00 0.00 46.19 47.43 1xsj s LEU 747 CO -0.09 -0.19 0.53 -1.10 -0.29 0.00 0.00 176.35 175.21 1xsj s GLN 748 N 2.89 4.02 -0.11 1.98 -1.52 -0.64 -4.60 119.66 121.68 1xsj s GLN 748 Ca 0.15 0.53 0.00 0.00 -1.95 0.00 0.00 55.36 54.09 1xsj s GLN 748 Cb -0.09 -3.04 0.00 0.00 -0.22 0.00 0.00 33.01 29.66 1xsj s GLN 748 CO -0.21 0.55 0.00 -0.25 -0.25 0.00 0.00 175.29 175.13 1xsj n ASP 749 N 1.15 -3.21 -3.77 5.90 9.92 -1.26 -2.80 116.55 122.48 1xsj n ASP 749 Ca -0.08 0.03 0.03 0.00 -0.53 0.00 0.00 54.79 54.24 1xsj n ASP 749 Cb 0.52 -0.80 0.01 0.00 -0.64 0.00 0.00 41.12 40.21 1xsj n ASP 749 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xsj s GLY 750 N -2.62 -0.32 0.25 0.44 0.00 -1.26 -0.90 107.32 102.91 1xsj s GLY 750 Ca 0.00 0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.25 1xsj s GLY 750 CO 0.00 3.47 0.21 -1.35 0.00 0.00 0.00 173.10 175.42 1xsj s SER 751 N -3.48 5.59 0.20 1.64 1.04 -0.85 -4.95 113.70 112.90 1xsj s SER 751 Ca 0.23 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.54 1xsj s SER 751 Cb 0.03 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.66 1xsj s SER 751 CO -0.04 -0.04 -0.18 0.00 0.98 0.00 0.00 173.24 173.97 1xsj s GLN 752 N -3.83 1.39 0.03 4.02 -2.07 -1.26 -1.78 119.66 116.16 1xsj s GLN 752 Ca 0.33 -1.55 -0.17 0.00 -1.82 0.00 0.00 55.36 52.15 1xsj s GLN 752 Cb -0.08 -1.38 0.03 0.00 -1.09 0.00 0.00 33.01 30.49 1xsj s GLN 752 CO 0.25 0.26 0.39 0.00 -1.32 0.00 0.00 175.29 174.87 1xsj s ALA 753 N -2.42 -0.94 0.21 2.60 0.00 -1.00 -5.00 121.76 115.20 1xsj s ALA 753 Ca 0.21 0.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 1xsj s ALA 753 Cb -0.04 0.30 -0.08 0.00 0.00 0.00 0.00 23.12 23.30 1xsj s ALA 753 CO 0.09 -0.42 0.73 -1.21 0.00 0.00 0.00 175.76 174.94 1xsj s GLU 754 N -2.33 4.30 0.22 0.00 2.02 -1.26 -0.73 118.70 120.92 1xsj s GLU 754 Ca -0.06 0.91 0.02 0.00 0.02 0.00 0.00 54.97 55.86 1xsj s GLU 754 Cb -0.01 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 1xsj s GLU 754 CO -0.01 0.43 0.03 -1.54 0.02 0.00 0.00 175.26 174.18 1xsj s SER 755 N -1.56 1.48 0.45 -0.19 1.04 -1.09 -4.86 113.70 108.97 1xsj s SER 755 Ca 0.41 -1.25 0.13 0.00 0.48 0.00 0.00 55.95 55.72 1xsj s SER 755 Cb -0.18 0.08 1.04 0.00 0.10 0.00 0.00 66.02 67.07 1xsj s SER 755 CO 0.22 -0.59 2.05 -0.08 0.98 0.00 0.00 173.24 175.81 1xsj h GLU 756 N 2.51 0.34 0.00 4.02 4.81 -2.02 -2.34 114.58 121.90 1xsj h GLU 756 Ca -0.38 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1xsj h GLU 756 Cb 1.22 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1xsj h GLU 756 CO 0.63 0.23 -0.40 1.04 -0.73 0.00 0.00 179.01 179.78 1xsj n GLN 757 N -4.48 0.14 0.00 1.92 6.02 -1.26 -4.98 117.38 114.74 1xsj n GLN 757 Ca 0.05 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1xsj n GLN 757 Cb 0.21 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1xsj n GLN 757 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsj n GLY 758 N 1.42 1.58 3.64 1.08 0.00 -0.88 -2.21 105.19 109.82 1xsj n GLY 758 Ca 0.05 -2.01 -0.48 0.00 0.00 0.00 0.00 46.02 43.59 1xsj n GLY 758 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsj n LEU 759 N 0.00 2.58 -4.26 0.99 7.94 0.15 -2.69 117.00 121.72 1xsj n LEU 759 Ca 0.00 1.11 -0.37 0.00 -1.11 0.00 0.00 56.01 55.64 1xsj n LEU 759 Cb 0.00 -1.35 -0.13 0.00 0.53 0.00 0.00 43.42 42.48 1xsj n LEU 759 CO 0.00 -0.62 -0.29 -0.69 -1.11 0.00 0.00 177.39 174.69 1xsj s VAL 760 N 0.51 3.59 -0.26 1.96 1.01 0.09 0.17 120.40 127.47 1xsj s VAL 760 Ca 0.78 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1xsj s VAL 760 Cb -0.76 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1xsj s VAL 760 CO 0.44 -0.11 0.32 -0.69 0.00 0.00 0.00 175.10 175.05 1xsj s VAL 761 N 1.38 5.22 -0.26 2.92 1.01 0.63 -2.36 120.40 128.94 1xsj s VAL 761 Ca -0.02 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 1xsj s VAL 761 Cb -0.19 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1xsj s VAL 761 CO 0.02 0.20 0.16 -0.75 0.00 0.00 0.00 175.10 174.73 1xsj s LYS 762 N 1.85 3.99 0.64 2.72 2.47 -0.74 -0.84 119.74 129.83 1xsj s LYS 762 Ca 0.13 -0.31 -0.12 0.00 -1.56 0.00 0.00 55.97 54.11 1xsj s LYS 762 Cb -0.16 -3.56 -0.02 0.00 -1.46 0.00 0.00 37.83 32.63 1xsj s LYS 762 CO 0.09 -0.05 1.04 -1.25 0.16 0.00 0.00 175.35 175.35 1xsj s PRO 763 N 1.37 3.26 -0.20 4.03 0.04 -1.26 -2.00 135.00 140.23 1xsj s PRO 763 Ca 0.07 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 1xsj s PRO 763 Cb -0.15 -2.03 -0.20 0.00 0.04 0.00 0.00 34.50 32.16 1xsj s PRO 763 CO 0.07 -0.84 0.09 1.04 0.04 0.00 0.00 177.00 177.39 1xsj n GLN 764 N -2.72 0.64 0.00 4.56 1.13 -0.08 -4.89 117.38 116.02 1xsj n GLN 764 Ca 0.07 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 1xsj n GLN 764 Cb 0.54 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.23 1xsj n GLN 764 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xsj n GLY 765 N 1.70 1.67 2.38 1.08 0.00 -1.26 -5.05 105.19 105.71 1xsj n GLY 765 Ca -0.38 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 1xsj n GLY 765 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xsj n ASN 766 N 0.00 2.64 -2.75 1.61 0.23 -1.26 -4.94 115.26 110.79 1xsj n ASN 766 Ca 0.00 -2.66 -0.10 0.00 -0.53 0.00 0.00 54.58 51.28 1xsj n ASN 766 Cb 0.00 -0.42 0.03 0.00 -2.08 0.00 0.00 39.78 37.31 1xsj n ASN 766 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsj n ALA 767 N -0.58 2.84 -2.23 -2.53 0.00 -1.26 -1.83 120.51 114.93 1xsj n ALA 767 Ca 0.20 -2.92 -0.25 0.00 0.00 0.00 0.00 53.44 50.46 1xsj n ALA 767 Cb 0.88 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 19.39 1xsj n ALA 767 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsj s LEU 768 N -3.00 3.49 -0.16 0.00 1.02 -1.16 -4.84 118.68 114.03 1xsj s LEU 768 Ca 0.28 0.50 -0.09 0.00 0.02 0.00 0.00 54.13 54.84 1xsj s LEU 768 Cb 0.43 -3.36 0.05 0.00 0.02 0.00 0.00 46.19 43.33 1xsj s LEU 768 CO 0.00 -0.83 0.39 0.28 0.02 0.00 0.00 176.35 176.21 1xsj s THR 769 N -2.73 -0.02 0.07 5.49 -1.32 -1.12 -2.08 115.64 113.92 1xsj s THR 769 Ca 0.50 0.09 0.05 0.00 -1.21 0.00 0.00 61.69 61.12 1xsj s THR 769 Cb -0.10 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.28 1xsj s THR 769 CO 0.41 0.03 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.20 1xsj s ILE 770 N 1.20 3.85 -0.14 5.08 1.01 -0.18 -1.63 121.20 130.39 1xsj s ILE 770 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1xsj s ILE 770 Cb -0.08 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.62 1xsj s ILE 770 CO -0.10 0.18 -0.13 -0.89 0.00 0.00 0.00 174.94 174.00 1xsj s THR 771 N -1.23 1.49 0.58 2.92 2.01 -0.83 -0.57 115.64 120.01 1xsj s THR 771 Ca 0.23 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 1xsj s THR 771 Cb -0.11 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1xsj s THR 771 CO 0.15 0.44 0.92 -0.76 -0.69 0.00 0.00 174.62 174.69 1xsj s LEU 772 N 1.50 3.28 0.00 4.42 1.43 0.40 -1.33 118.68 128.38 1xsj s LEU 772 Ca 0.05 0.93 0.25 0.00 -1.03 0.00 0.00 54.13 54.32 1xsj s LEU 772 Cb -0.13 -3.81 1.50 0.00 0.03 0.00 0.00 46.19 43.78 1xsj s LEU 772 CO -0.10 -0.96 1.86 0.00 0.23 0.00 0.00 176.35 177.38