#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 4.27 -0.13 2.12 -0.14 -1.26 -4.88 119.74 119.72 1xsj s LYS 2 Ca 0.00 1.61 -0.09 0.00 -1.36 0.00 0.00 55.97 56.14 1xsj s LYS 2 Cb 0.00 -3.69 -0.06 0.00 -1.68 0.00 0.00 37.83 32.40 1xsj s LYS 2 CO 0.00 -0.62 -0.20 -0.89 -0.76 0.00 0.00 175.35 172.88 1xsj n ILE 3 N 5.16 1.01 -2.19 2.17 5.41 -1.26 -4.87 119.36 124.80 1xsj n ILE 3 Ca 0.13 -0.08 -0.28 0.00 1.00 0.00 0.00 62.75 63.51 1xsj n ILE 3 Cb 0.45 -1.80 0.04 0.00 -0.71 0.00 0.00 39.64 37.62 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 -6.28 5.56 -0.61 4.38 1.04 -1.26 -1.16 113.70 115.37 1xsj s SER 4 Ca -0.20 0.89 0.06 0.00 0.48 0.00 0.00 55.95 57.18 1xsj s SER 4 Cb 0.07 -1.82 0.20 0.00 0.10 0.00 0.00 66.02 64.57 1xsj s SER 4 CO 0.27 -1.16 0.56 -0.67 0.98 0.00 0.00 173.24 173.22 1xsj n ASP 5 N -2.75 2.47 -0.22 7.02 2.03 -0.42 -4.30 116.55 120.38 1xsj n ASP 5 Ca 0.05 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.25 1xsj n ASP 5 Cb 0.57 -0.69 -0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1xsj n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsj n GLY 6 N 1.66 -1.87 0.20 0.27 0.00 -1.26 -2.97 105.19 101.21 1xsj n GLY 6 Ca 0.25 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.02 0.21 0.30 1.61 -1.24 -1.96 -3.35 115.58 111.13 1xsj h ASN 7 Ca 0.00 -0.08 -0.18 0.00 0.71 0.00 0.00 56.30 56.75 1xsj h ASN 7 Cb 0.02 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 1xsj h ASN 7 CO 0.00 0.59 -1.86 0.79 -1.29 0.00 0.00 177.43 175.66 1xsj n TRP 8 N -4.04 0.41 -4.72 0.67 7.02 -1.26 -5.00 117.44 110.52 1xsj n TRP 8 Ca -0.01 0.14 -0.32 0.00 -1.02 0.00 0.00 57.50 56.28 1xsj n TRP 8 Cb 0.46 -0.89 -0.08 0.00 -2.42 0.00 0.00 31.31 28.38 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 -5.32 2.29 0.03 -0.99 1.43 -1.16 -5.03 118.68 109.92 1xsj s LEU 9 Ca -0.06 -1.64 0.07 0.00 -1.03 0.00 0.00 54.13 51.46 1xsj s LEU 9 Cb 0.09 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 1xsj s LEU 9 CO 0.84 -0.84 -0.20 -0.63 0.23 0.00 0.00 176.35 175.76 1xsj s ILE 10 N -2.92 1.58 0.22 -0.59 1.01 -1.26 -1.30 121.20 117.94 1xsj s ILE 10 Ca 0.10 -1.08 -0.31 0.00 0.00 0.00 0.00 60.65 59.37 1xsj s ILE 10 Cb 0.02 -1.36 -0.15 0.00 0.01 0.00 0.00 42.46 40.98 1xsj s ILE 10 CO 0.06 0.25 1.06 0.00 0.00 0.00 0.00 174.94 176.30 1xsj n GLN 11 N 2.05 1.17 -1.86 2.79 1.13 -0.31 -4.57 117.38 117.79 1xsj n GLN 11 Ca -0.17 0.41 -0.41 0.00 -1.94 0.00 0.00 57.00 54.90 1xsj n GLN 11 Cb 0.53 -1.83 -0.00 0.00 0.11 0.00 0.00 30.24 29.05 1xsj n GLN 11 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1xsj s PRO 12 N -0.90 4.11 0.00 -1.09 0.02 -1.26 -2.50 135.00 133.38 1xsj s PRO 12 Ca 0.67 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1xsj s PRO 12 Cb -0.79 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 30.77 1xsj s PRO 12 CO 0.56 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 1xsj n GLY 13 N 0.52 0.73 3.66 0.52 0.00 -1.26 -4.90 105.19 104.46 1xsj n GLY 13 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 4.12 -0.25 0.99 1.43 -1.04 -0.90 118.68 123.02 1xsj s LEU 14 Ca 0.00 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1xsj s LEU 14 Cb 0.00 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1xsj s LEU 14 CO 0.00 0.01 0.06 0.20 0.23 0.00 0.00 176.35 176.85 1xsj s ASN 15 N 1.12 5.03 -0.04 2.29 0.01 -0.53 -4.88 114.94 117.95 1xsj s ASN 15 Ca 0.11 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1xsj s ASN 15 Cb -0.14 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.59 1xsj s ASN 15 CO 0.06 -0.04 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.82 1xsj s LEU 16 N 1.60 3.36 0.01 0.60 1.43 -1.26 -1.07 118.68 123.35 1xsj s LEU 16 Ca 0.06 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1xsj s LEU 16 Cb -0.15 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1xsj s LEU 16 CO 0.03 0.33 -0.08 0.27 0.23 0.00 0.00 176.35 177.13 1xsj s ILE 17 N -0.93 0.60 0.04 -0.59 -4.36 -0.53 -5.02 121.20 110.41 1xsj s ILE 17 Ca 0.15 -0.55 0.04 0.00 -0.26 0.00 0.00 60.65 60.03 1xsj s ILE 17 Cb -0.11 -0.55 -0.02 0.00 1.25 0.00 0.00 42.46 43.03 1xsj s ILE 17 CO 0.05 0.01 -0.12 -1.00 0.24 0.00 0.00 174.94 174.12 1xsj s HIS 18 N -0.51 1.05 -0.16 1.37 3.76 -1.26 -1.31 115.29 118.23 1xsj s HIS 18 Ca -0.00 -0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.26 1xsj s HIS 18 Cb -0.05 -0.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 1xsj s HIS 18 CO 0.00 0.01 1.70 -1.25 -0.85 0.00 0.00 174.74 174.35 1xsj s PRO 19 N -1.16 3.86 0.00 8.40 0.04 -1.26 -3.77 135.00 141.12 1xsj s PRO 19 Ca -0.01 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1xsj s PRO 19 Cb -0.08 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1xsj s PRO 19 CO 0.01 -1.22 0.00 1.28 0.04 0.00 0.00 177.00 177.11 1xsj n LEU 20 N 8.32 0.00 -3.65 -3.56 4.77 -0.16 -4.55 117.00 118.18 1xsj n LEU 20 Ca 0.19 -0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 1xsj n LEU 20 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1xsj n LEU 20 CO 0.64 0.00 0.28 -1.58 -1.33 0.00 0.00 177.39 175.40 1xsj s GLN 21 N -0.86 0.62 0.04 3.23 0.74 -0.87 -4.39 119.66 118.16 1xsj s GLN 21 Ca 0.00 1.25 -0.30 0.00 0.05 0.00 0.00 55.36 56.36 1xsj s GLN 21 Cb 0.00 0.38 -0.08 0.00 1.10 0.00 0.00 33.01 34.41 1xsj s GLN 21 CO 0.00 -0.17 1.72 0.08 -0.55 0.00 0.00 175.29 176.36 1xsj s VAL 22 N 2.08 3.10 -0.26 1.34 1.01 -1.26 -0.86 120.40 125.56 1xsj s VAL 22 Ca -0.08 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 1xsj s VAL 22 Cb -0.08 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.89 1xsj s VAL 22 CO -0.19 -0.01 -0.29 0.33 0.00 0.00 0.00 175.10 174.94 1xsj n PHE 23 N 6.20 0.00 -3.76 5.22 7.35 0.04 -4.71 117.46 127.80 1xsj n PHE 23 Ca 0.17 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.73 1xsj n PHE 23 Cb 0.41 -0.95 -0.10 0.00 0.35 0.00 0.00 39.48 39.19 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 -2.49 0.51 -0.04 -4.13 2.12 -1.06 -4.99 118.70 108.61 1xsj s GLU 24 Ca -0.35 0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.20 1xsj s GLU 24 Cb 0.12 0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 1xsj s GLU 24 CO 0.51 -0.11 -0.25 0.08 -0.54 0.00 0.00 175.26 174.95 1xsj s VAL 25 N -0.51 2.05 -0.03 3.70 1.01 -1.26 -0.35 120.40 125.01 1xsj s VAL 25 Ca -0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 1xsj s VAL 25 Cb -0.04 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1xsj s VAL 25 CO 0.02 0.57 0.06 -0.70 0.00 0.00 0.00 175.10 175.06 1xsj s GLU 26 N -0.34 0.04 -0.22 2.72 2.12 0.28 -5.01 118.70 118.29 1xsj s GLU 26 Ca 0.02 0.16 -0.17 0.00 0.36 0.00 0.00 54.97 55.34 1xsj s GLU 26 Cb -0.12 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.14 1xsj s GLU 26 CO 0.02 -0.08 0.45 -1.14 -0.54 0.00 0.00 175.26 173.96 1xsj s GLN 27 N 0.54 4.15 -0.31 4.30 0.74 -1.26 -0.01 119.66 127.80 1xsj s GLN 27 Ca -0.04 0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.66 1xsj s GLN 27 Cb -0.06 -3.57 0.08 0.00 1.10 0.00 0.00 33.01 30.56 1xsj s GLN 27 CO -0.02 -0.15 -0.00 -0.65 -0.55 0.00 0.00 175.29 173.92 1xsj s GLN 28 N 1.64 1.90 3.98 1.67 -0.21 -0.35 -4.99 119.66 123.31 1xsj s GLN 28 Ca 0.20 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 53.97 1xsj s GLN 28 Cb -0.15 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1xsj s GLN 28 CO 0.09 -0.78 0.00 -3.47 -2.12 0.00 0.00 175.29 169.01 1xsj n ASP 29 N 4.38 0.00 -2.10 5.90 4.64 -1.26 -0.95 116.55 127.16 1xsj n ASP 29 Ca -0.05 0.00 -0.24 0.00 -1.38 0.00 0.00 54.79 53.12 1xsj n ASP 29 Cb 0.42 0.00 0.15 0.00 -1.04 0.00 0.00 41.12 40.65 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 6.03 4.77 -4.22 1.67 6.94 -1.26 -4.93 115.26 124.26 1xsj n ASN 30 Ca 0.00 -3.70 -0.22 0.00 -0.02 0.00 0.00 54.58 50.65 1xsj n ASN 30 Cb 0.00 -0.83 -0.13 0.00 -2.36 0.00 0.00 39.78 36.46 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 -3.46 1.02 -0.20 -3.83 2.02 -0.13 -4.66 118.70 109.46 1xsj s GLU 31 Ca 0.57 -1.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 1xsj s GLU 31 Cb 0.48 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 33.56 1xsj s GLU 31 CO 0.06 0.27 -0.11 1.41 0.02 0.00 0.00 175.26 176.90 1xsj s MET 32 N -1.66 3.23 -0.17 1.61 -2.45 -0.51 -1.20 119.30 118.15 1xsj s MET 32 Ca 0.03 -0.71 -0.06 0.00 -1.25 0.00 0.00 55.69 53.71 1xsj s MET 32 Cb -0.10 -2.81 -0.03 0.00 1.25 0.00 0.00 34.83 33.14 1xsj s MET 32 CO 0.03 -0.17 0.02 0.08 1.05 0.00 0.00 175.02 176.03 1xsj s VAL 33 N 1.31 4.38 -0.15 10.11 1.01 0.98 -0.76 120.40 137.28 1xsj s VAL 33 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1xsj s VAL 33 Cb -0.14 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1xsj s VAL 33 CO -0.06 0.48 -0.21 -0.69 0.00 0.00 0.00 175.10 174.62 1xsj s VAL 34 N 0.29 2.04 -0.22 2.92 1.01 0.10 -0.56 120.40 125.98 1xsj s VAL 34 Ca 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1xsj s VAL 34 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1xsj s VAL 34 CO 0.01 0.54 0.37 -0.31 0.00 0.00 0.00 175.10 175.72 1xsj s TYR 35 N 0.91 3.35 -0.09 5.22 2.02 0.53 -0.45 117.35 128.83 1xsj s TYR 35 Ca -0.05 0.54 0.02 0.00 -0.37 0.00 0.00 57.07 57.21 1xsj s TYR 35 Cb -0.15 -2.50 0.01 0.00 -0.40 0.00 0.00 41.96 38.92 1xsj s TYR 35 CO -0.04 -0.04 -0.14 0.00 -1.57 0.00 0.00 175.55 173.76 1xsj s ALA 36 N 1.41 1.52 0.13 3.71 0.00 -0.11 -0.78 121.76 127.64 1xsj s ALA 36 Ca 0.17 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1xsj s ALA 36 Cb -0.15 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.21 1xsj s ALA 36 CO 0.08 0.05 0.41 0.00 0.00 0.00 0.00 175.76 176.30 1xsj s ALA 37 N 0.78 3.73 -1.07 0.00 0.00 -0.04 -0.04 121.76 125.12 1xsj s ALA 37 Ca -0.12 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1xsj s ALA 37 Cb -0.16 -2.23 0.24 0.00 0.00 0.00 0.00 23.12 20.97 1xsj s ALA 37 CO 0.02 0.60 0.96 -0.35 0.00 0.00 0.00 175.76 176.99 1xsj n PRO 38 N 0.43 2.04 -3.77 0.00 -0.04 -1.25 -0.98 135.00 131.43 1xsj n PRO 38 Ca -0.05 -0.94 -0.04 0.00 -0.04 0.00 0.00 63.50 62.44 1xsj n PRO 38 Cb 0.52 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.58 1.31 -0.24 0.54 1.70 -1.26 -4.75 118.95 114.67 1xsj s ARG 39 Ca 0.16 -0.71 -0.28 0.00 -0.47 0.00 0.00 55.73 54.43 1xsj s ARG 39 Cb 0.12 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 1xsj s ARG 39 CO 0.06 -0.60 1.96 0.34 -1.08 0.00 0.00 175.30 175.98 1xsj s ASP 40 N -2.92 5.83 -0.30 -2.89 -1.08 -1.26 -4.70 116.67 109.35 1xsj s ASP 40 Ca 0.12 1.70 0.08 0.00 -0.52 0.00 0.00 52.55 53.93 1xsj s ASP 40 Cb -0.02 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.39 1xsj s ASP 40 CO 0.03 -1.69 1.37 1.33 0.52 0.00 0.00 175.17 176.73 1xsj n VAL 41 N 7.26 2.54 0.05 1.11 0.24 -1.26 -4.75 118.33 123.52 1xsj n VAL 41 Ca 0.25 -3.27 -0.04 0.00 -2.04 0.00 0.00 64.34 59.24 1xsj n VAL 41 Cb 0.45 -0.56 0.18 0.00 -1.47 0.00 0.00 33.84 32.44 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 1.36 0.36 -5.99 7.34 3.08 -1.94 -3.44 114.38 115.15 1xsj h ARG 42 Ca 0.23 -0.18 -0.61 0.00 0.07 0.00 0.00 59.98 59.49 1xsj h ARG 42 Cb 1.40 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.40 1xsj h ARG 42 CO 0.46 0.72 -0.33 -1.21 -1.07 0.00 0.00 179.97 178.53 1xsj s GLU 43 N -4.18 3.64 0.46 0.04 2.02 -1.26 -4.99 118.70 114.43 1xsj s GLU 43 Ca -0.06 0.01 0.12 0.00 0.02 0.00 0.00 54.97 55.06 1xsj s GLU 43 Cb 0.13 -3.04 1.04 0.00 0.10 0.00 0.00 34.13 32.36 1xsj s GLU 43 CO 0.79 0.61 2.08 0.00 0.02 0.00 0.00 175.26 178.76 1xsj h ARG 44 N 3.82 0.24 0.00 1.61 3.08 -1.98 -0.92 114.38 120.23 1xsj h ARG 44 Ca -0.49 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 1xsj h ARG 44 Cb 1.19 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1xsj h ARG 44 CO 0.67 0.19 -0.01 0.00 -1.07 0.00 0.00 179.97 179.74 1xsj h THR 45 N 0.25 0.36 -0.22 2.04 1.03 -1.95 0.26 112.91 114.68 1xsj h THR 45 Ca 0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1xsj h THR 45 Cb 0.02 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 1xsj h THR 45 CO -0.01 0.01 0.00 0.79 -0.01 0.00 0.00 175.52 176.30 1xsj n TRP 46 N -3.58 0.26 -1.38 0.00 7.02 -0.35 -4.61 117.44 114.81 1xsj n TRP 46 Ca -0.03 -0.13 -0.23 0.00 -1.02 0.00 0.00 57.50 56.08 1xsj n TRP 46 Cb 0.10 -0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.91 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 1.42 2.33 -3.60 -0.99 6.02 0.08 -4.79 117.38 117.84 1xsj n GLN 47 Ca 0.17 -2.03 -0.03 0.00 -0.01 0.00 0.00 57.00 55.10 1xsj n GLN 47 Cb 0.60 -2.12 -0.02 0.00 1.02 0.00 0.00 30.24 29.73 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 -1.64 -0.14 -1.38 1.08 0.05 -1.26 -4.99 118.68 110.39 1xsj s LEU 48 Ca 0.61 -0.05 -0.02 0.00 0.05 0.00 0.00 54.13 54.72 1xsj s LEU 48 Cb 0.37 1.47 0.01 0.00 -2.05 0.00 0.00 46.19 45.99 1xsj s LEU 48 CO -0.17 -0.31 0.61 0.47 -0.55 0.00 0.00 176.35 176.41 1xsj n ASP 49 N -0.21 -1.23 -3.75 1.48 8.00 -1.26 -5.00 116.55 114.58 1xsj n ASP 49 Ca -0.03 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.44 1xsj n ASP 49 Cb 0.60 -3.58 -0.09 0.00 -0.02 0.00 0.00 41.12 38.02 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 -3.74 0.03 0.96 -3.53 -1.32 -1.26 -5.16 115.64 101.62 1xsj s THR 50 Ca 0.09 -0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 60.21 1xsj s THR 50 Cb -0.05 -0.58 0.17 0.00 -1.51 0.00 0.00 72.50 70.53 1xsj s THR 50 CO 0.85 -0.14 1.10 -2.84 -2.21 0.00 0.00 174.62 171.37 1xsj s PRO 51 N -0.66 0.72 -0.08 7.08 0.02 -1.26 -5.08 135.00 135.74 1xsj s PRO 51 Ca -0.08 1.13 -0.05 0.00 0.02 0.00 0.00 61.00 62.02 1xsj s PRO 51 Cb -0.04 -1.72 0.03 0.00 0.02 0.00 0.00 34.50 32.79 1xsj s PRO 51 CO 0.03 -2.70 0.19 -1.17 -0.33 0.00 0.00 177.00 173.01 1xsj s LEU 52 N -6.59 0.88 0.22 -5.54 0.20 -1.26 -4.30 118.68 102.30 1xsj s LEU 52 Ca 0.66 0.39 -0.13 0.00 0.69 0.00 0.00 54.13 55.74 1xsj s LEU 52 Cb -0.21 0.58 -0.07 0.00 -0.43 0.00 0.00 46.19 46.05 1xsj s LEU 52 CO 0.59 -0.12 0.59 -0.36 -0.29 0.00 0.00 176.35 176.76 1xsj s PHE 53 N 0.74 3.49 -0.26 5.38 0.40 0.94 -4.81 117.98 123.86 1xsj s PHE 53 Ca -0.05 1.02 0.02 0.00 -0.60 0.00 0.00 56.93 57.32 1xsj s PHE 53 Cb -0.07 -2.36 0.06 0.00 0.51 0.00 0.00 43.02 41.16 1xsj s PHE 53 CO -0.04 0.30 -0.08 0.99 0.70 0.00 0.00 175.22 177.09 1xsj s THR 54 N -1.71 1.93 -0.10 0.64 2.01 -0.70 -0.93 115.64 116.77 1xsj s THR 54 Ca 0.45 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 1xsj s THR 54 Cb -0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1xsj s THR 54 CO 0.20 -0.10 0.05 -0.76 -0.69 0.00 0.00 174.62 173.32 1xsj s LEU 55 N 1.20 3.85 -0.07 4.42 1.02 0.40 -1.20 118.68 128.30 1xsj s LEU 55 Ca -0.06 0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.36 1xsj s LEU 55 Cb -0.19 -1.91 0.02 0.00 0.02 0.00 0.00 46.19 44.12 1xsj s LEU 55 CO -0.06 0.39 -0.11 -0.60 0.02 0.00 0.00 176.35 175.99 1xsj s ARG 56 N -0.94 1.62 -0.09 1.70 3.52 -0.05 0.01 118.95 124.73 1xsj s ARG 56 Ca 0.14 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1xsj s ARG 56 Cb -0.12 -1.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.84 1xsj s ARG 56 CO 0.03 -0.04 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.33 1xsj s PHE 57 N 0.88 2.86 0.17 5.12 0.08 0.06 -0.57 117.98 126.58 1xsj s PHE 57 Ca -0.11 -0.19 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 1xsj s PHE 57 Cb -0.15 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.61 1xsj s PHE 57 CO 0.01 0.14 0.59 -0.59 -0.10 0.00 0.00 175.22 175.28 1xsj s PHE 58 N -0.42 -0.45 -0.14 0.36 -0.71 -0.92 -1.43 117.98 114.26 1xsj s PHE 58 Ca 0.06 0.20 -0.01 0.00 -1.04 0.00 0.00 56.93 56.14 1xsj s PHE 58 Cb -0.12 0.54 0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1xsj s PHE 58 CO 0.02 -0.88 -0.03 0.45 -1.34 0.00 0.00 175.22 173.44 1xsj s SER 59 N -2.78 2.42 0.16 1.98 0.15 -1.26 0.57 113.70 114.94 1xsj s SER 59 Ca 0.03 -0.48 0.24 0.00 0.70 0.00 0.00 55.95 56.44 1xsj s SER 59 Cb -0.01 -0.74 0.38 0.00 -1.71 0.00 0.00 66.02 63.94 1xsj s SER 59 CO -0.10 -0.19 1.38 1.55 1.20 0.00 0.00 173.24 177.07 1xsj h PRO 60 N 8.20 0.00 -2.99 5.44 0.13 -1.84 -3.43 132.00 137.50 1xsj h PRO 60 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 1xsj h PRO 60 Cb 1.12 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.10 1xsj h PRO 60 CO 0.36 0.00 0.03 -0.65 -0.23 0.00 0.00 178.00 177.51 1xsj s GLN 61 N -3.18 1.08 0.17 0.86 -1.52 -1.26 -0.73 119.66 115.09 1xsj s GLN 61 Ca 0.06 -0.41 -0.32 0.00 -1.95 0.00 0.00 55.36 52.74 1xsj s GLN 61 Cb 0.12 0.49 -0.12 0.00 -0.22 0.00 0.00 33.01 33.28 1xsj s GLN 61 CO 0.71 -0.41 1.71 -1.91 -0.25 0.00 0.00 175.29 175.13 1xsj n GLU 62 N 0.11 2.59 -0.91 2.91 0.00 -1.26 -1.94 120.64 122.14 1xsj n GLU 62 Ca -0.17 0.94 0.00 0.00 0.00 0.00 0.00 57.16 57.92 1xsj n GLU 62 Cb 0.62 -2.77 0.00 0.00 0.00 0.00 0.00 31.44 29.29 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 3.87 0.72 3.26 8.31 0.00 -1.21 -4.93 105.19 115.20 1xsj n GLY 63 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.76 2.65 -0.21 -0.61 1.01 -0.82 -1.71 121.20 118.75 1xsj s ILE 64 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1xsj s ILE 64 Cb 0.00 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1xsj s ILE 64 CO 0.00 0.52 -0.09 -0.69 0.00 0.00 0.00 174.94 174.67 1xsj s VAL 65 N 0.83 2.94 0.16 2.92 1.01 -0.47 -4.04 120.40 123.75 1xsj s VAL 65 Ca -0.05 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 1xsj s VAL 65 Cb -0.15 -2.32 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 1xsj s VAL 65 CO -0.00 0.45 0.79 -0.83 0.00 0.00 0.00 175.10 175.51 1xsj s GLY 66 N 1.41 2.93 -0.13 4.51 0.00 0.19 -1.37 107.32 114.87 1xsj s GLY 66 Ca 0.05 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.16 1xsj s GLY 66 CO -0.06 0.93 -0.15 0.14 0.00 0.00 0.00 173.10 173.95 1xsj s VAL 67 N -1.03 1.55 -0.16 1.40 1.01 -0.13 -2.17 120.40 120.87 1xsj s VAL 67 Ca 0.37 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1xsj s VAL 67 Cb -0.23 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1xsj s VAL 67 CO 0.27 0.45 -0.18 -0.60 0.00 0.00 0.00 175.10 175.04 1xsj s ARG 68 N 1.22 2.72 -0.20 2.72 3.52 0.26 -1.27 118.95 127.92 1xsj s ARG 68 Ca -0.01 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1xsj s ARG 68 Cb -0.14 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.92 1xsj s ARG 68 CO -0.06 -0.17 -0.14 0.42 -0.81 0.00 0.00 175.30 174.55 1xsj s ILE 69 N 1.23 2.52 0.07 4.11 1.01 0.61 -0.87 121.20 129.87 1xsj s ILE 69 Ca 0.02 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1xsj s ILE 69 Cb -0.14 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1xsj s ILE 69 CO -0.09 0.45 -0.11 -1.83 0.00 0.00 0.00 174.94 173.36 1xsj s GLU 70 N 1.34 0.71 0.00 2.79 -1.05 -0.34 -0.61 118.70 121.54 1xsj s GLU 70 Ca 0.04 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 1xsj s GLU 70 Cb -0.14 -0.55 0.00 0.00 -0.44 0.00 0.00 34.13 33.00 1xsj s GLU 70 CO -0.09 0.11 0.00 1.58 0.95 0.00 0.00 175.26 177.81 1xsj n HIS 71 N 1.17 0.00 -3.23 4.83 -0.00 0.39 -1.73 115.22 116.65 1xsj n HIS 71 Ca -0.21 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.14 1xsj n HIS 71 Cb 0.55 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 0.42 3.77 -1.71 1.57 0.08 -1.25 -4.83 117.98 116.02 1xsj s PHE 72 Ca 0.00 1.30 0.20 0.00 0.12 0.00 0.00 56.93 58.55 1xsj s PHE 72 Cb 0.00 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 1xsj s PHE 72 CO 0.00 0.52 0.98 1.04 -0.10 0.00 0.00 175.22 177.66 1xsj n GLN 73 N 1.41 1.28 0.00 0.44 6.02 -1.26 -4.44 117.38 120.83 1xsj n GLN 73 Ca -0.08 -0.81 0.12 0.00 -0.01 0.00 0.00 57.00 56.23 1xsj n GLN 73 Cb 0.51 -1.41 0.61 0.00 1.02 0.00 0.00 30.24 30.97 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 1.35 -1.20 3.75 1.08 0.00 -1.26 -4.90 105.19 104.00 1xsj n GLY 74 Ca 0.08 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.70 2.43 0.18 4.61 0.00 -1.26 -4.96 121.76 120.05 1xsj s ALA 75 Ca 0.20 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 1xsj s ALA 75 Cb 0.17 -3.44 0.14 0.00 0.00 0.00 0.00 23.12 19.99 1xsj s ALA 75 CO 0.41 -1.35 1.66 -0.07 0.00 0.00 0.00 175.76 176.41 1xsj h LEU 76 N 0.51 -0.37 -3.74 0.00 3.38 -1.99 -3.48 115.31 109.63 1xsj h LEU 76 Ca -0.49 0.13 -0.49 0.00 0.09 0.00 0.00 57.88 57.12 1xsj h LEU 76 Cb 1.29 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1xsj h LEU 76 CO 0.54 -0.13 -1.07 0.59 0.09 0.00 0.00 178.44 178.45 1xsj n ASN 77 N -5.31 -4.85 -4.90 -0.43 5.03 -1.26 -4.99 115.26 98.54 1xsj n ASN 77 Ca 0.04 -0.98 -0.28 0.00 0.87 0.00 0.00 54.58 54.24 1xsj n ASN 77 Cb 0.25 -1.74 -0.00 0.00 -1.02 0.00 0.00 39.78 37.27 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 -3.03 6.28 1.05 6.41 0.01 -1.26 -5.12 114.94 119.29 1xsj s ASN 78 Ca 0.03 0.98 -0.05 0.00 -0.71 0.00 0.00 52.86 53.11 1xsj s ASN 78 Cb -0.02 -2.27 0.08 0.00 0.41 0.00 0.00 41.25 39.45 1xsj s ASN 78 CO 0.90 -0.59 0.32 0.61 -1.51 0.00 0.00 177.10 176.83 1xsj n GLY 79 N -2.24 -2.22 3.89 0.66 0.00 -1.26 -4.59 105.19 99.44 1xsj n GLY 79 Ca 0.01 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.72 2.35 0.24 1.61 0.04 -1.26 -0.88 135.00 133.38 1xsj s PRO 80 Ca 0.20 0.23 0.11 0.00 0.04 0.00 0.00 61.00 61.58 1xsj s PRO 80 Cb -0.02 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1xsj s PRO 80 CO 0.15 -1.34 -0.16 -1.01 0.04 0.00 0.00 177.00 174.68 1xsj s HIS 81 N -3.47 2.41 0.57 0.56 3.76 -1.26 -4.84 115.29 113.02 1xsj s HIS 81 Ca 0.60 -0.30 -0.21 0.00 -0.15 0.00 0.00 55.06 55.00 1xsj s HIS 81 Cb -0.11 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 1xsj s HIS 81 CO 0.50 0.62 1.31 0.71 -0.85 0.00 0.00 174.74 177.03 1xsj s TYR 82 N -2.16 2.30 -1.48 1.40 2.02 -1.26 -4.88 117.35 113.29 1xsj s TYR 82 Ca 0.27 1.43 -0.12 0.00 -0.37 0.00 0.00 57.07 58.29 1xsj s TYR 82 Cb -0.06 -3.70 0.02 0.00 -0.40 0.00 0.00 41.96 37.81 1xsj s TYR 82 CO 0.15 -2.70 2.42 -0.35 -1.57 0.00 0.00 175.55 173.49 1xsj n PRO 83 N -1.24 3.33 -3.06 -1.71 -0.04 -1.26 -4.94 135.00 126.08 1xsj n PRO 83 Ca 0.12 -2.66 -0.38 0.00 -0.04 0.00 0.00 63.50 60.54 1xsj n PRO 83 Cb 0.46 -3.05 -0.06 0.00 -0.04 0.00 0.00 33.50 30.82 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 0.98 4.48 -0.75 1.53 1.02 -1.26 -4.76 118.68 119.92 1xsj s LEU 84 Ca 0.54 1.52 -0.19 0.00 0.02 0.00 0.00 54.13 56.01 1xsj s LEU 84 Cb 0.15 -3.38 0.11 0.00 0.02 0.00 0.00 46.19 43.09 1xsj s LEU 84 CO -0.07 0.14 0.93 0.20 0.02 0.00 0.00 176.35 177.57 1xsj s ASN 85 N -1.35 6.39 -0.26 2.29 0.01 -0.01 -5.01 114.94 116.99 1xsj s ASN 85 Ca 0.38 -1.65 -0.10 0.00 -0.71 0.00 0.00 52.86 50.78 1xsj s ASN 85 Cb -0.20 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 1xsj s ASN 85 CO 0.23 -1.14 0.17 -0.63 -1.51 0.00 0.00 177.10 174.22 1xsj s ILE 86 N 2.83 5.22 0.27 0.60 1.01 -1.26 -4.79 121.20 125.07 1xsj s ILE 86 Ca 0.22 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.88 1xsj s ILE 86 Cb -0.14 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1xsj s ILE 86 CO 0.00 0.29 0.65 -0.76 0.00 0.00 0.00 174.94 175.12 1xsj s LEU 87 N 1.51 4.13 -0.10 2.97 1.43 0.10 -5.02 118.68 123.69 1xsj s LEU 87 Ca 0.07 1.13 0.10 0.00 -1.03 0.00 0.00 54.13 54.40 1xsj s LEU 87 Cb -0.15 -3.86 -0.24 0.00 0.03 0.00 0.00 46.19 41.97 1xsj s LEU 87 CO 0.08 -0.13 0.44 0.00 0.23 0.00 0.00 176.35 176.97 1xsj n GLN 88 N -0.18 0.67 -1.74 1.70 1.13 -1.26 -4.63 117.38 113.06 1xsj n GLN 88 Ca 0.02 0.22 -0.24 0.00 -1.94 0.00 0.00 57.00 55.06 1xsj n GLN 88 Cb 0.53 -1.71 0.05 0.00 0.11 0.00 0.00 30.24 29.22 1xsj n GLN 88 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xsj n ASP 89 N -3.07 5.19 -4.73 1.08 10.43 -1.26 -5.02 116.55 119.18 1xsj n ASP 89 Ca -0.24 -3.77 -0.42 0.00 2.57 0.00 0.00 54.79 52.93 1xsj n ASP 89 Cb 1.07 -0.50 -0.03 0.00 1.84 0.00 0.00 41.12 43.51 1xsj n ASP 89 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1xsj s VAL 90 N -4.50 2.24 -0.04 2.53 1.01 -1.26 -4.91 120.40 115.48 1xsj s VAL 90 Ca 0.53 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1xsj s VAL 90 Cb 0.43 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1xsj s VAL 90 CO 0.02 0.02 1.35 -0.75 0.00 0.00 0.00 175.10 175.74 1xsj s LYS 91 N 0.73 4.29 0.23 2.72 2.20 -1.26 -5.00 119.74 123.65 1xsj s LYS 91 Ca 0.70 1.87 0.03 0.00 -0.36 0.00 0.00 55.97 58.21 1xsj s LYS 91 Cb -0.47 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.18 1xsj s LYS 91 CO 0.36 -0.58 0.02 0.14 -0.36 0.00 0.00 175.35 174.93 1xsj s VAL 92 N 2.58 0.88 -0.07 4.02 -7.23 -1.26 -4.49 120.40 114.83 1xsj s VAL 92 Ca 0.61 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1xsj s VAL 92 Cb -0.29 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.27 1xsj s VAL 92 CO 0.24 -0.27 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.71 1xsj s THR 93 N -3.52 1.48 -0.18 5.32 2.01 -0.69 -5.00 115.64 115.06 1xsj s THR 93 Ca 0.30 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1xsj s THR 93 Cb 0.06 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1xsj s THR 93 CO 0.09 0.43 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 1xsj s ILE 94 N 0.49 1.98 -0.22 1.82 1.01 -1.26 -1.23 121.20 123.79 1xsj s ILE 94 Ca -0.15 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1xsj s ILE 94 Cb -0.16 -1.81 0.04 0.00 0.01 0.00 0.00 42.46 40.54 1xsj s ILE 94 CO 0.05 0.50 -0.16 -0.70 0.00 0.00 0.00 174.94 174.64 1xsj s GLU 95 N 1.32 2.65 -0.35 2.79 2.12 -0.43 -5.01 118.70 121.79 1xsj s GLU 95 Ca 0.04 -1.07 -0.01 0.00 0.36 0.00 0.00 54.97 54.30 1xsj s GLU 95 Cb -0.13 -2.72 0.08 0.00 0.26 0.00 0.00 34.13 31.62 1xsj s GLU 95 CO -0.12 -0.38 0.08 1.21 -0.54 0.00 0.00 175.26 175.51 1xsj s ASN 96 N 1.21 5.00 0.27 -1.70 2.47 -1.26 -0.39 114.94 120.53 1xsj s ASN 96 Ca -0.01 -1.71 0.01 0.00 0.42 0.00 0.00 52.86 51.56 1xsj s ASN 96 Cb -0.16 -1.74 0.01 0.00 -1.45 0.00 0.00 41.25 37.91 1xsj s ASN 96 CO -0.09 -0.39 0.08 0.35 -3.72 0.00 0.00 177.10 173.34 1xsj n THR 97 N 4.55 0.00 -0.14 -5.21 -2.24 0.70 -5.02 114.28 106.92 1xsj n THR 97 Ca -0.06 -1.19 -0.10 0.00 -2.27 0.00 0.00 64.05 60.43 1xsj n THR 97 Cb 0.42 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.67 0.13 -0.78 4.57 -2.03 -3.32 114.58 113.83 1xsj h GLU 98 Ca -0.20 -0.18 -0.31 0.00 -1.18 0.00 0.00 59.36 57.48 1xsj h GLU 98 Cb 0.65 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1xsj h GLU 98 CO 0.33 0.72 -1.56 0.00 -1.18 0.00 0.00 179.01 177.32 1xsj h ARG 99 N 0.52 0.28 -4.25 1.92 3.08 -1.96 -3.44 114.38 110.52 1xsj h ARG 99 Ca 0.12 -0.48 -0.13 0.00 0.07 0.00 0.00 59.98 59.56 1xsj h ARG 99 Cb 0.38 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.46 1xsj h ARG 99 CO 0.01 1.15 -0.64 0.71 -1.07 0.00 0.00 179.97 180.13 1xsj s TYR 100 N -2.61 0.58 -0.09 3.04 1.51 -1.25 -0.85 117.35 117.69 1xsj s TYR 100 Ca -0.10 -1.07 0.04 0.00 -1.01 0.00 0.00 57.07 54.92 1xsj s TYR 100 Cb 0.07 -0.38 0.00 0.00 -0.11 0.00 0.00 41.96 41.53 1xsj s TYR 100 CO 0.86 -0.44 -0.21 0.00 -1.11 0.00 0.00 175.55 174.65 1xsj s ALA 101 N -3.95 1.95 -0.05 3.71 0.00 -0.41 -0.22 121.76 122.79 1xsj s ALA 101 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1xsj s ALA 101 Cb 0.08 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1xsj s ALA 101 CO -0.07 0.27 -0.04 -2.00 0.00 0.00 0.00 175.76 173.92 1xsj s GLU 102 N 0.33 0.84 -0.14 0.00 2.12 0.47 -0.78 118.70 121.54 1xsj s GLU 102 Ca -0.16 -0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.10 1xsj s GLU 102 Cb -0.17 -0.92 -0.01 0.00 0.26 0.00 0.00 34.13 33.29 1xsj s GLU 102 CO 0.07 -0.14 -0.13 0.12 -0.54 0.00 0.00 175.26 174.64 1xsj s PHE 103 N 1.18 2.80 -0.01 5.30 5.36 0.40 -1.32 117.98 131.69 1xsj s PHE 103 Ca -0.07 -0.75 0.03 0.00 -0.96 0.00 0.00 56.93 55.18 1xsj s PHE 103 Cb -0.14 -1.86 -0.00 0.00 -0.34 0.00 0.00 43.02 40.68 1xsj s PHE 103 CO -0.01 -0.29 -0.09 0.21 -1.46 0.00 0.00 175.22 173.58 1xsj s LYS 104 N 0.50 0.79 -0.05 10.12 2.20 -0.36 -0.45 119.74 132.50 1xsj s LYS 104 Ca -0.09 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1xsj s LYS 104 Cb -0.16 -0.76 0.03 0.00 -1.51 0.00 0.00 37.83 35.43 1xsj s LYS 104 CO 0.04 0.17 0.04 0.45 -0.36 0.00 0.00 175.35 175.69 1xsj s SER 105 N -0.10 1.19 1.94 1.43 0.15 0.21 -1.71 113.70 116.82 1xsj s SER 105 Ca 0.02 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1xsj s SER 105 Cb -0.05 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1xsj s SER 105 CO -0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1xsj n GLY 106 N 5.13 3.72 0.61 9.45 0.00 -1.26 -1.69 105.19 121.16 1xsj n GLY 106 Ca -0.07 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 6.38 1.96 -4.47 1.61 3.02 -1.26 -4.92 115.26 117.58 1xsj n ASN 107 Ca 0.00 -1.61 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 1xsj n ASN 107 Cb 0.00 0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.06 3.12 0.12 3.41 2.96 -0.68 -0.80 118.68 124.74 1xsj s LEU 108 Ca 0.33 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1xsj s LEU 108 Cb 0.20 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1xsj s LEU 108 CO 0.35 0.17 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.48 1xsj s SER 109 N 0.35 1.90 -0.18 3.68 1.04 -0.07 -0.62 113.70 119.80 1xsj s SER 109 Ca -0.06 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 1xsj s SER 109 Cb -0.15 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 1xsj s SER 109 CO 0.04 -0.18 -0.03 0.00 0.98 0.00 0.00 173.24 174.05 1xsj s ALA 110 N -2.30 2.96 -0.10 5.32 0.00 0.41 -0.46 121.76 127.58 1xsj s ALA 110 Ca 0.09 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1xsj s ALA 110 Cb -0.04 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1xsj s ALA 110 CO 0.02 -0.01 -0.13 0.50 0.00 0.00 0.00 175.76 176.15 1xsj s ARG 111 N 0.76 1.92 -0.18 0.00 3.52 -0.09 -0.46 118.95 124.42 1xsj s ARG 111 Ca -0.01 -0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1xsj s ARG 111 Cb -0.14 -1.69 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1xsj s ARG 111 CO 0.02 -0.09 0.06 0.08 -0.81 0.00 0.00 175.30 174.56 1xsj s VAL 112 N 1.07 4.77 -0.12 7.11 1.01 0.04 -0.91 120.40 133.37 1xsj s VAL 112 Ca -0.06 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 1xsj s VAL 112 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1xsj s VAL 112 CO -0.02 0.47 0.93 -0.44 0.00 0.00 0.00 175.10 176.04 1xsj s SER 113 N 0.31 7.13 0.74 3.32 0.01 -0.67 -1.29 113.70 123.26 1xsj s SER 113 Ca 0.03 1.39 -0.12 0.00 1.31 0.00 0.00 55.95 58.57 1xsj s SER 113 Cb -0.12 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.63 1xsj s SER 113 CO 0.00 -0.41 1.13 -0.54 0.41 0.00 0.00 173.24 173.83 1xsj s LYS 114 N 1.96 2.51 1.41 12.44 1.02 -0.03 -4.14 119.74 134.90 1xsj s LYS 114 Ca 0.44 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1xsj s LYS 114 Cb -0.18 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1xsj s LYS 114 CO 0.16 -1.25 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 1xsj n GLY 115 N -3.12 -0.84 0.05 -3.33 0.00 -1.26 -4.38 105.19 92.30 1xsj n GLY 115 Ca 0.07 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.70 1xsj n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xsj n GLU 116 N 0.00 0.12 -3.82 1.61 -0.58 -1.26 -4.32 120.64 112.38 1xsj n GLU 116 Ca 0.00 0.13 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 1xsj n GLU 116 Cb 0.00 -1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 29.12 1xsj n GLU 116 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1xsj s PHE 117 N -3.06 3.63 0.32 -0.32 0.08 -1.26 -5.05 117.98 112.32 1xsj s PHE 117 Ca 0.12 -3.22 -0.29 0.00 0.12 0.00 0.00 56.93 53.66 1xsj s PHE 117 Cb 0.15 -2.90 -0.11 0.00 -0.57 0.00 0.00 43.02 39.59 1xsj s PHE 117 CO 0.53 -0.63 1.58 1.87 -0.10 0.00 0.00 175.22 178.47 1xsj n TRP 118 N 2.22 2.94 -3.60 0.36 -0.00 -1.26 -4.72 117.44 113.39 1xsj n TRP 118 Ca 0.19 0.29 -0.15 0.00 -0.00 0.00 0.00 57.50 57.83 1xsj n TRP 118 Cb 0.35 -2.59 -0.06 0.00 -0.00 0.00 0.00 31.31 29.01 1xsj n TRP 118 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1xsj s SER 119 N 0.35 -0.45 -0.19 5.87 1.04 -1.26 -4.09 113.70 114.98 1xsj s SER 119 Ca 0.61 0.29 0.01 0.00 0.48 0.00 0.00 55.95 57.34 1xsj s SER 119 Cb -0.48 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.15 1xsj s SER 119 CO 0.52 -0.64 -0.10 -0.22 0.98 0.00 0.00 173.24 173.78 1xsj s LEU 120 N -1.66 2.12 -0.02 2.42 0.20 -0.89 -1.67 118.68 119.17 1xsj s LEU 120 Ca -0.08 -0.80 0.07 0.00 0.69 0.00 0.00 54.13 54.01 1xsj s LEU 120 Cb -0.01 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.54 1xsj s LEU 120 CO 0.02 -0.14 -0.24 -1.81 -0.29 0.00 0.00 176.35 173.90 1xsj s ASP 121 N 1.44 2.82 -0.20 3.68 1.01 -0.09 0.28 116.67 125.60 1xsj s ASP 121 Ca -0.00 -0.44 -0.06 0.00 0.71 0.00 0.00 52.55 52.76 1xsj s ASP 121 Cb -0.16 -0.36 -0.03 0.00 1.01 0.00 0.00 42.92 43.38 1xsj s ASP 121 CO -0.09 0.29 0.03 -0.36 0.21 0.00 0.00 175.17 175.26 1xsj s PHE 122 N -0.52 3.11 -0.05 4.23 0.08 0.26 -0.91 117.98 124.18 1xsj s PHE 122 Ca 0.08 -0.25 0.05 0.00 0.12 0.00 0.00 56.93 56.93 1xsj s PHE 122 Cb -0.10 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1xsj s PHE 122 CO -0.00 -0.12 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.27 1xsj s LEU 123 N 0.89 2.00 -0.27 -0.37 1.02 0.39 -0.74 118.68 121.59 1xsj s LEU 123 Ca 0.02 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 1xsj s LEU 123 Cb -0.14 -1.19 0.03 0.00 0.02 0.00 0.00 46.19 44.91 1xsj s LEU 123 CO 0.02 0.20 -0.03 -0.60 0.02 0.00 0.00 176.35 175.96 1xsj s ARG 124 N -0.05 2.74 -1.35 1.70 3.52 0.12 -0.89 118.95 124.74 1xsj s ARG 124 Ca -0.04 -1.05 -0.16 0.00 -0.13 0.00 0.00 55.73 54.35 1xsj s ARG 124 Cb -0.13 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1xsj s ARG 124 CO 0.03 -0.47 0.43 0.09 -0.81 0.00 0.00 175.30 174.57 1xsj n ASN 125 N 4.67 -1.97 0.00 -2.12 3.02 0.02 -1.41 115.26 117.47 1xsj n ASN 125 Ca -0.15 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1xsj n ASN 125 Cb 0.46 -2.11 0.00 0.00 -0.61 0.00 0.00 39.78 37.52 1xsj n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsj n GLY 126 N -2.18 1.78 3.71 7.41 0.00 -1.26 -5.01 105.19 109.64 1xsj n GLY 126 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 3.98 -0.28 1.61 2.02 -0.50 -5.00 118.70 120.46 1xsj s GLU 127 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.44 1xsj s GLU 127 Cb 0.00 -3.29 -0.00 0.00 0.10 0.00 0.00 34.13 30.93 1xsj s GLU 127 CO 0.00 0.36 1.32 0.50 0.02 0.00 0.00 175.26 177.46 1xsj s ARG 128 N 0.16 3.94 -0.07 1.61 3.52 -1.26 0.14 118.95 126.99 1xsj s ARG 128 Ca 0.07 1.32 0.08 0.00 -0.13 0.00 0.00 55.73 57.06 1xsj s ARG 128 Cb -0.12 -3.88 -0.24 0.00 -1.56 0.00 0.00 34.95 29.16 1xsj s ARG 128 CO -0.00 -1.09 0.56 0.44 -0.81 0.00 0.00 175.30 174.39 1xsj n ILE 129 N 6.13 1.65 -3.01 4.11 -5.35 0.08 -4.95 119.36 118.02 1xsj n ILE 129 Ca 0.15 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1xsj n ILE 129 Cb 0.46 -1.20 0.00 0.00 -1.74 0.00 0.00 39.64 37.16 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 -3.15 0.00 0.00 7.28 5.66 -1.18 -4.88 114.28 118.01 1xsj n THR 130 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1xsj n THR 130 Cb 1.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 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 1.87 3.24 1.09 0.00 -1.26 -0.58 105.19 109.55 1xsj n GLY 131 Ca 0.00 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 4.31 0.68 1.61 0.15 0.14 -1.19 113.70 119.40 1xsj s SER 132 Ca 0.00 -0.70 -0.11 0.00 0.70 0.00 0.00 55.95 55.84 1xsj s SER 132 Cb 0.00 -1.69 -0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1xsj s SER 132 CO 0.00 -0.09 1.05 -1.10 1.20 0.00 0.00 173.24 174.30 1xsj s GLN 133 N 1.38 3.08 0.29 5.44 -0.21 -1.26 -2.11 119.66 126.28 1xsj s GLN 133 Ca 0.02 0.86 -0.29 0.00 0.02 0.00 0.00 55.36 55.96 1xsj s GLN 133 Cb -0.16 -2.01 -0.13 0.00 1.00 0.00 0.00 33.01 31.71 1xsj s GLN 133 CO -0.04 -0.97 1.33 1.55 -2.12 0.00 0.00 175.29 175.04 1xsj n VAL 134 N -3.03 1.53 -0.94 1.09 3.14 -1.26 -0.74 118.33 118.12 1xsj n VAL 134 Ca 0.07 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1xsj n VAL 134 Cb 0.54 -1.50 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 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 1.23 -0.65 -0.26 1.45 5.02 -1.26 -4.87 118.16 118.82 1xsj n LYS 135 Ca 0.08 0.16 0.10 0.00 -2.02 0.00 0.00 58.31 56.64 1xsj n LYS 135 Cb 0.34 -3.75 0.24 0.00 -0.02 0.00 0.00 35.03 31.84 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 -0.33 3.50 -4.14 4.39 3.02 0.08 -4.90 115.26 116.89 1xsj n ASN 136 Ca 0.00 -1.97 -0.17 0.00 -0.03 0.00 0.00 54.58 52.41 1xsj n ASN 136 Cb 0.16 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.14 1.26 0.00 6.41 2.20 -1.26 -0.60 114.94 121.81 1xsj s ASN 137 Ca 0.39 -1.47 0.00 0.00 -0.94 0.00 0.00 52.86 50.84 1xsj s ASN 137 Cb 0.21 0.30 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 1xsj s ASN 137 CO 0.28 -0.82 0.00 0.61 -2.94 0.00 0.00 177.10 174.23 1xsj n GLY 138 N -0.50 0.87 3.42 0.45 0.00 -0.74 -4.34 105.19 104.35 1xsj n GLY 138 Ca 0.01 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.39 2.62 -0.19 1.61 5.04 -0.43 -0.83 117.35 121.78 1xsj s TYR 139 Ca 0.00 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 1xsj s TYR 139 Cb 0.00 -1.62 0.03 0.00 0.35 0.00 0.00 41.96 40.72 1xsj s TYR 139 CO 0.00 0.08 -0.18 0.08 -1.34 0.00 0.00 175.55 174.19 1xsj s VAL 140 N -0.58 2.03 -0.48 3.14 1.01 0.25 -1.46 120.40 124.30 1xsj s VAL 140 Ca 0.08 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1xsj s VAL 140 Cb -0.11 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.48 1xsj s VAL 140 CO 0.01 0.45 0.40 -1.58 0.00 0.00 0.00 175.10 174.38 1xsj s GLN 141 N 1.28 2.89 -0.65 2.72 0.74 -0.23 -1.22 119.66 125.21 1xsj s GLN 141 Ca 0.03 -1.49 -0.27 0.00 0.05 0.00 0.00 55.36 53.69 1xsj s GLN 141 Cb -0.14 -4.11 0.04 0.00 1.10 0.00 0.00 33.01 29.89 1xsj s GLN 141 CO -0.12 -1.11 1.16 0.34 -0.55 0.00 0.00 175.29 175.02 1xsj s ASP 142 N 2.80 6.29 0.00 6.67 -1.08 -0.35 -1.45 116.67 129.55 1xsj s ASP 142 Ca 0.04 -0.30 0.31 0.00 -0.52 0.00 0.00 52.55 52.08 1xsj s ASP 142 Cb -0.26 -2.52 1.78 0.00 -1.46 0.00 0.00 42.92 40.46 1xsj s ASP 142 CO 0.05 -1.58 2.17 0.35 0.52 0.00 0.00 175.17 176.68 1xsj n THR 143 N 6.40 0.00 0.06 1.71 -2.24 -0.08 -1.23 114.28 118.90 1xsj n THR 143 Ca 0.04 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.61 1xsj n THR 143 Cb 0.48 -0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.03 0.51 -0.02 3.42 2.35 -1.90 -3.38 115.58 116.58 1xsj h ASN 144 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 1xsj h ASN 144 Cb 0.09 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1xsj h ASN 144 CO 0.00 1.46 0.00 -0.46 -1.65 0.00 0.00 177.43 176.78 1xsj n ASN 145 N -4.05 1.89 -2.85 5.81 0.23 -1.23 -5.00 115.26 110.05 1xsj n ASN 145 Ca -0.16 -1.45 -0.22 0.00 -0.53 0.00 0.00 54.58 52.23 1xsj n ASN 145 Cb 0.87 -0.01 0.02 0.00 -2.08 0.00 0.00 39.78 38.59 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 0.57 -3.97 -4.30 -3.83 1.13 -0.37 -5.02 117.38 101.60 1xsj n GLN 146 Ca 0.06 0.93 -0.25 0.00 -1.94 0.00 0.00 57.00 55.80 1xsj n GLN 146 Cb 0.26 -5.74 -0.09 0.00 0.11 0.00 0.00 30.24 24.79 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 -5.53 2.13 -0.01 -1.09 0.52 -1.10 -4.98 118.95 108.89 1xsj s ARG 147 Ca 0.22 -1.33 0.06 0.00 -0.52 0.00 0.00 55.73 54.16 1xsj s ARG 147 Cb -0.10 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 1xsj s ARG 147 CO 0.27 0.41 -0.21 -0.80 0.02 0.00 0.00 175.30 174.99 1xsj s ASN 148 N -3.14 2.45 0.06 0.23 0.01 -1.26 -1.21 114.94 112.08 1xsj s ASN 148 Ca 0.27 -0.38 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 1xsj s ASN 148 Cb -0.08 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.29 1xsj s ASN 148 CO 0.17 0.25 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.58 1xsj s TYR 149 N -0.50 1.00 -0.02 2.20 2.02 -0.35 -2.52 117.35 119.18 1xsj s TYR 149 Ca 0.08 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1xsj s TYR 149 Cb -0.08 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 1xsj s TYR 149 CO -0.01 0.00 -0.03 -1.64 -1.57 0.00 0.00 175.55 172.31 1xsj s MET 150 N -1.57 2.73 0.12 -0.62 -1.94 -0.42 -0.59 119.30 117.02 1xsj s MET 150 Ca -0.04 -0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 53.31 1xsj s MET 150 Cb -0.10 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 1xsj s MET 150 CO 0.01 0.63 0.05 -0.59 -0.01 0.00 0.00 175.02 175.11 1xsj s PHE 151 N -1.01 0.81 0.02 -0.03 -0.71 -0.01 -1.13 117.98 115.91 1xsj s PHE 151 Ca 0.17 -1.20 -0.13 0.00 -1.04 0.00 0.00 56.93 54.73 1xsj s PHE 151 Cb -0.11 -0.46 0.02 0.00 -1.21 0.00 0.00 43.02 41.25 1xsj s PHE 151 CO 0.08 -0.50 0.28 -2.00 -1.34 0.00 0.00 175.22 171.73 1xsj s GLU 152 N -4.03 0.74 -0.16 1.99 2.56 -0.77 -1.79 118.70 117.23 1xsj s GLU 152 Ca 0.22 -0.43 -0.01 0.00 0.00 0.00 0.00 54.97 54.74 1xsj s GLU 152 Cb 0.07 0.32 0.05 0.00 2.00 0.00 0.00 34.13 36.57 1xsj s GLU 152 CO 0.00 -0.22 -0.01 1.03 -0.56 0.00 0.00 175.26 175.50 1xsj s ARG 153 N -2.15 1.03 -0.19 4.30 0.52 0.24 -0.99 118.95 121.69 1xsj s ARG 153 Ca -0.08 -0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 54.60 1xsj s ARG 153 Cb -0.02 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1xsj s ARG 153 CO -0.01 -0.49 0.29 -0.51 0.02 0.00 0.00 175.30 174.60 1xsj s LEU 154 N 1.76 4.18 0.52 2.53 1.43 0.13 -4.37 118.68 124.85 1xsj s LEU 154 Ca 0.01 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1xsj s LEU 154 Cb -0.16 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 1xsj s LEU 154 CO -0.07 0.03 1.28 0.47 0.23 0.00 0.00 176.35 178.29 1xsj n ASP 155 N 4.05 2.39 -4.32 2.29 8.00 -0.33 -0.94 116.55 127.69 1xsj n ASP 155 Ca -0.11 0.99 -0.33 0.00 0.71 0.00 0.00 54.79 56.05 1xsj n ASP 155 Cb 0.52 -1.53 -0.15 0.00 -0.02 0.00 0.00 41.12 39.94 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 -2.73 2.65 0.00 0.64 1.43 0.17 -4.65 118.68 116.20 1xsj s LEU 156 Ca 0.69 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 53.25 1xsj s LEU 156 Cb -0.44 -1.61 0.20 0.00 0.03 0.00 0.00 46.19 44.37 1xsj s LEU 156 CO 0.51 0.11 1.11 0.61 0.23 0.00 0.00 176.35 178.93 1xsj n GLY 157 N 3.90 -1.66 3.71 -3.19 0.00 -1.26 -4.75 105.19 101.94 1xsj n GLY 157 Ca -0.18 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.37 2.82 -0.05 1.61 1.01 -1.26 -1.84 120.40 119.32 1xsj s VAL 158 Ca 0.64 0.52 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1xsj s VAL 158 Cb -0.02 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1xsj s VAL 158 CO 0.46 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1xsj n GLY 159 N 3.78 0.32 3.68 4.51 0.00 -1.26 -4.99 105.19 111.24 1xsj n GLY 159 Ca 0.14 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.99 4.39 0.14 1.61 2.12 -0.76 -4.99 118.70 120.22 1xsj s GLU 160 Ca 0.00 1.25 0.08 0.00 0.36 0.00 0.00 54.97 56.65 1xsj s GLU 160 Cb 0.00 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1xsj s GLU 160 CO 0.00 -0.29 -0.07 0.95 -0.54 0.00 0.00 175.26 175.30 1xsj s THR 161 N 1.96 3.40 -0.03 -1.70 -4.23 -1.26 -4.86 115.64 108.93 1xsj s THR 161 Ca 0.45 -1.43 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1xsj s THR 161 Cb -0.18 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 1xsj s THR 161 CO 0.16 -0.01 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.29 1xsj s VAL 162 N -1.49 2.08 0.11 2.29 1.01 -1.26 -2.21 120.40 120.93 1xsj s VAL 162 Ca 0.24 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1xsj s VAL 162 Cb -0.10 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1xsj s VAL 162 CO 0.15 0.58 -0.06 -0.31 0.00 0.00 0.00 175.10 175.46 1xsj s TYR 163 N -0.55 0.96 0.00 5.22 2.02 -0.05 -0.03 117.35 124.92 1xsj s TYR 163 Ca 0.08 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 1xsj s TYR 163 Cb -0.11 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1xsj s TYR 163 CO -0.00 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 1xsj n GLY 164 N -0.08 0.95 2.39 0.71 0.00 -1.26 -1.58 105.19 106.32 1xsj n GLY 164 Ca -0.11 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.02 0.00 0.99 4.77 0.20 -4.81 117.00 117.13 1xsj n LEU 165 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1xsj n LEU 165 Cb 0.00 -2.04 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 1xsj n LEU 165 CO 0.00 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 1xsj n GLY 166 N -1.30 -0.73 3.52 -0.72 0.00 -1.24 -3.36 105.19 101.36 1xsj n GLY 166 Ca -0.14 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 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 0.00 3.29 0.16 1.61 2.12 -0.97 -3.64 118.70 121.27 1xsj s GLU 167 Ca 0.00 -0.72 0.11 0.00 0.36 0.00 0.00 54.97 54.72 1xsj s GLU 167 Cb 0.00 -4.50 -0.04 0.00 0.26 0.00 0.00 34.13 29.84 1xsj s GLU 167 CO 0.00 -2.04 -0.25 1.03 -0.54 0.00 0.00 175.26 173.46 1xsj s ARG 168 N 4.86 1.45 0.00 4.30 0.52 -1.26 -4.57 118.95 124.24 1xsj s ARG 168 Ca 0.34 -1.43 0.11 0.00 -0.52 0.00 0.00 55.73 54.22 1xsj s ARG 168 Cb -0.08 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.54 1xsj s ARG 168 CO 0.06 0.42 0.67 1.19 0.02 0.00 0.00 175.30 177.67 1xsj n PHE 169 N 0.60 0.00 -0.59 -0.53 3.72 -1.26 -2.80 117.46 116.59 1xsj n PHE 169 Ca -0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.11 1xsj n PHE 169 Cb 0.54 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.20 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 -0.16 0.00 -1.58 4.37 -2.24 -1.26 -4.84 114.28 108.58 1xsj n THR 170 Ca 0.05 -0.16 -0.48 0.00 -2.27 0.00 0.00 64.05 61.18 1xsj n THR 170 Cb 0.23 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.91 -0.69 -0.04 6.98 0.00 -1.26 -4.87 120.51 116.71 1xsj n ALA 171 Ca -0.09 0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1xsj n ALA 171 Cb 0.26 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 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 3.07 -0.00 -9.36 0.00 5.85 -1.92 -3.39 115.31 109.56 1xsj h LEU 172 Ca -0.42 0.03 -0.55 0.00 0.84 0.00 0.00 57.88 57.79 1xsj h LEU 172 Cb 1.34 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1xsj h LEU 172 CO 0.68 0.03 0.56 -0.69 -0.34 0.00 0.00 178.44 178.67 1xsj s VAL 173 N -6.18 4.48 -0.53 1.05 1.01 -1.26 -4.60 120.40 114.36 1xsj s VAL 173 Ca -0.13 1.78 0.24 0.00 0.00 0.00 0.00 61.98 63.87 1xsj s VAL 173 Cb 0.10 -4.14 0.28 0.00 0.00 0.00 0.00 36.38 32.61 1xsj s VAL 173 CO 0.69 0.07 1.61 0.03 0.00 0.00 0.00 175.10 177.49 1xsj h ARG 174 N 7.07 0.00 -6.25 2.72 -0.00 -0.65 -3.46 114.38 113.80 1xsj h ARG 174 Ca -0.37 0.00 -0.65 0.00 -0.50 0.00 0.00 59.98 58.46 1xsj h ARG 174 Cb 1.18 0.00 0.02 0.00 0.00 0.00 0.00 29.97 31.18 1xsj h ARG 174 CO 0.83 0.00 0.99 0.09 0.00 0.00 0.00 179.97 181.88 1xsj n ASN 175 N -2.74 3.04 0.00 7.04 4.13 -1.26 -0.79 115.26 124.68 1xsj n ASN 175 Ca 0.04 1.02 0.00 0.00 1.68 0.00 0.00 54.58 57.32 1xsj n ASN 175 Cb 0.49 -1.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.43 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 4.19 0.54 3.68 7.41 0.00 0.14 -4.99 105.19 116.16 1xsj n GLY 176 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1xsj n GLY 176 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xsj s GLN 177 N -0.64 2.56 0.02 1.61 -2.07 0.03 -4.59 119.66 116.58 1xsj s GLN 177 Ca 0.00 -0.81 -0.24 0.00 -1.82 0.00 0.00 55.36 52.49 1xsj s GLN 177 Cb 0.00 -2.54 -0.05 0.00 -1.09 0.00 0.00 33.01 29.32 1xsj s GLN 177 CO 0.00 0.55 0.71 0.99 -1.32 0.00 0.00 175.29 176.23 1xsj s THR 178 N -1.26 4.80 -0.07 3.63 2.01 -1.26 -1.26 115.64 122.22 1xsj s THR 178 Ca 0.24 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 63.74 1xsj s THR 178 Cb -0.12 -4.06 0.03 0.00 0.01 0.00 0.00 72.50 68.36 1xsj s THR 178 CO 0.17 0.37 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 1xsj s VAL 179 N -0.04 0.49 -0.23 3.82 1.01 0.43 -5.00 120.40 120.88 1xsj s VAL 179 Ca 0.36 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1xsj s VAL 179 Cb -0.20 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1xsj s VAL 179 CO 0.21 0.27 0.10 -1.61 0.00 0.00 0.00 175.10 174.07 1xsj s GLU 180 N 1.82 3.85 -0.97 2.72 0.41 -1.26 -0.17 118.70 125.10 1xsj s GLU 180 Ca 0.03 -0.38 -0.18 0.00 -0.41 0.00 0.00 54.97 54.02 1xsj s GLU 180 Cb -0.12 -3.38 0.13 0.00 -1.78 0.00 0.00 34.13 28.98 1xsj s GLU 180 CO -0.05 -0.02 1.19 0.95 -0.49 0.00 0.00 175.26 176.84 1xsj s THR 181 N 1.21 4.70 -0.24 3.63 -4.23 -0.49 -4.87 115.64 115.33 1xsj s THR 181 Ca 0.05 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 1xsj s THR 181 Cb -0.14 -4.82 0.13 0.00 1.34 0.00 0.00 72.50 69.01 1xsj s THR 181 CO 0.04 -1.56 0.43 0.86 -0.54 0.00 0.00 174.62 173.86 1xsj s TRP 182 N 2.73 -0.97 0.25 3.99 -0.11 -1.26 -3.98 118.94 119.59 1xsj s TRP 182 Ca 0.35 1.18 -0.31 0.00 1.22 0.00 0.00 56.10 58.54 1xsj s TRP 182 Cb -0.04 0.20 -0.12 0.00 -1.50 0.00 0.00 33.47 32.01 1xsj s TRP 182 CO -0.08 -0.69 1.67 0.09 -4.62 0.00 0.00 176.95 173.32 1xsj n ASN 183 N 5.38 3.94 -3.97 5.86 3.02 -1.26 -4.67 115.26 123.56 1xsj n ASN 183 Ca -0.05 1.10 -0.08 0.00 -0.03 0.00 0.00 54.58 55.52 1xsj n ASN 183 Cb 0.50 -1.58 -0.09 0.00 -0.61 0.00 0.00 39.78 38.00 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 0.44 0.74 -0.89 3.52 0.52 -0.65 -4.62 118.95 118.01 1xsj s ARG 184 Ca 0.70 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 54.72 1xsj s ARG 184 Cb -0.50 0.28 0.23 0.00 0.52 0.00 0.00 34.95 35.48 1xsj s ARG 184 CO 0.39 -0.20 0.83 0.34 0.02 0.00 0.00 175.30 176.68 1xsj s ASP 185 N -2.89 6.70 -0.01 0.23 -1.08 -1.26 -3.27 116.67 115.08 1xsj s ASP 185 Ca 0.06 -3.03 0.02 0.00 -0.52 0.00 0.00 52.55 49.09 1xsj s ASP 185 Cb 0.06 -2.15 0.05 0.00 -1.46 0.00 0.00 42.92 39.43 1xsj s ASP 185 CO -0.10 -0.44 1.04 0.61 0.52 0.00 0.00 175.17 176.79 1xsj n GLY 186 N 3.45 3.13 7.00 2.66 0.00 -1.26 -5.11 105.19 115.06 1xsj n GLY 186 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.48 -0.71 0.56 -0.02 0.00 -1.26 -4.43 105.19 98.85 1xsj n GLY 187 Ca 0.02 -1.14 0.06 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.14 0.42 0.15 2.61 -2.24 -1.25 -4.66 114.28 109.17 1xsj n THR 188 Ca 0.00 -0.71 0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1xsj n THR 188 Cb 0.00 0.94 0.16 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.63 2.95 -3.85 3.42 7.64 -1.26 -4.77 113.62 118.38 1xsj n SER 189 Ca 0.09 -1.87 -0.24 0.00 1.01 0.00 0.00 58.87 57.86 1xsj n SER 189 Cb 0.36 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.97 0.00 0.44 0.44 -2.24 -1.26 -5.02 114.28 107.62 1xsj n THR 190 Ca 0.14 -2.03 0.09 0.00 -2.27 0.00 0.00 64.05 59.98 1xsj n THR 190 Cb 0.47 0.59 0.37 0.00 -2.10 0.00 0.00 70.33 69.66 1xsj n THR 190 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xsj n GLU 191 N -0.91 0.07 -1.94 -0.78 0.00 -1.26 -4.46 120.64 111.37 1xsj n GLU 191 Ca -0.11 0.32 -0.30 0.00 0.00 0.00 0.00 57.16 57.08 1xsj n GLU 191 Cb 0.53 -1.64 0.04 0.00 0.00 0.00 0.00 31.44 30.37 1xsj n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsj s GLN 192 N -3.12 2.88 -0.05 3.44 -0.21 -1.26 -4.90 119.66 116.44 1xsj s GLN 192 Ca 0.06 0.42 -0.05 0.00 0.02 0.00 0.00 55.36 55.80 1xsj s GLN 192 Cb 0.09 -2.05 0.01 0.00 1.00 0.00 0.00 33.01 32.07 1xsj s GLN 192 CO 0.30 -0.99 0.15 0.00 -2.12 0.00 0.00 175.29 172.63 1xsj s ALA 193 N -3.32 -0.36 0.22 6.09 0.00 -1.26 -4.70 121.76 118.43 1xsj s ALA 193 Ca 0.58 0.39 0.11 0.00 0.00 0.00 0.00 51.96 53.03 1xsj s ALA 193 Cb -0.11 -0.23 0.27 0.00 0.00 0.00 0.00 23.12 23.06 1xsj s ALA 193 CO 0.51 -0.08 1.56 1.88 0.00 0.00 0.00 175.76 179.63 1xsj h TYR 194 N 5.84 0.00 -3.35 0.00 0.05 -1.80 -1.73 116.97 115.98 1xsj h TYR 194 Ca -0.25 0.00 -0.63 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 38.54 1xsj h TYR 194 CO 0.42 0.66 -0.70 0.15 -1.05 0.00 0.00 178.16 177.64 1xsj s LYS 195 N -3.43 1.51 -0.09 4.88 1.02 -1.26 -3.49 119.74 118.89 1xsj s LYS 195 Ca -0.01 -2.07 -0.05 0.00 0.02 0.00 0.00 55.97 53.87 1xsj s LYS 195 Cb 0.12 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1xsj s LYS 195 CO 0.77 -1.06 0.13 -0.80 -0.92 0.00 0.00 175.35 173.46 1xsj s ASN 196 N 0.44 6.19 -0.08 2.83 0.01 -1.24 -2.28 114.94 120.81 1xsj s ASN 196 Ca 0.14 0.38 -0.03 0.00 -0.71 0.00 0.00 52.86 52.65 1xsj s ASN 196 Cb -0.23 -1.95 0.05 0.00 0.41 0.00 0.00 41.25 39.53 1xsj s ASN 196 CO -0.05 0.37 0.12 -0.63 -1.51 0.00 0.00 177.10 175.40 1xsj s ILE 197 N -1.08 -0.20 -0.58 0.60 -1.09 -1.21 -4.33 121.20 113.30 1xsj s ILE 197 Ca 0.18 0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 58.83 1xsj s ILE 197 Cb -0.12 -0.29 -0.17 0.00 -1.58 0.00 0.00 42.46 40.30 1xsj s ILE 197 CO 0.07 0.10 3.29 -0.81 -1.23 0.00 0.00 174.94 176.36 1xsj n PRO 198 N 5.31 2.67 -4.88 2.79 -0.04 -1.26 -3.71 135.00 135.88 1xsj n PRO 198 Ca -0.04 -1.61 -0.28 0.00 -0.04 0.00 0.00 63.50 61.53 1xsj n PRO 198 Cb 0.50 -2.28 -0.17 0.00 -0.04 0.00 0.00 33.50 31.51 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 0.96 1.92 0.13 0.54 5.36 -1.26 -1.02 117.98 124.60 1xsj s PHE 199 Ca 0.66 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1xsj s PHE 199 Cb 0.28 -1.32 -0.04 0.00 -0.34 0.00 0.00 43.02 41.60 1xsj s PHE 199 CO -0.04 -0.29 -0.10 1.52 -1.46 0.00 0.00 175.22 174.85 1xsj s TYR 200 N 0.37 1.16 0.18 10.12 -0.85 -0.48 -0.63 117.35 127.22 1xsj s TYR 200 Ca -0.13 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.67 1xsj s TYR 200 Cb -0.15 -0.61 -0.04 0.00 0.38 0.00 0.00 41.96 41.53 1xsj s TYR 200 CO 0.05 0.03 0.05 0.00 -1.52 0.00 0.00 175.55 174.16 1xsj s MET 201 N -3.53 1.11 0.42 -3.49 0.23 -0.62 -0.98 119.30 112.46 1xsj s MET 201 Ca 0.13 -1.56 0.03 0.00 -1.03 0.00 0.00 55.69 53.27 1xsj s MET 201 Cb 0.02 -0.03 -0.03 0.00 -1.53 0.00 0.00 34.83 33.25 1xsj s MET 201 CO -0.00 -0.23 0.08 0.95 -2.03 0.00 0.00 175.02 173.78 1xsj s THR 202 N -3.86 0.91 -2.03 3.16 -4.23 -0.91 -0.88 115.64 107.80 1xsj s THR 202 Ca 0.28 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.92 1xsj s THR 202 Cb 0.07 -2.41 0.34 0.00 1.34 0.00 0.00 72.50 71.84 1xsj s THR 202 CO 0.06 0.00 1.45 -0.46 -0.54 0.00 0.00 174.62 175.13 1xsj n ASN 203 N -1.17 0.26 -1.46 3.99 6.94 -0.94 -2.95 115.26 119.93 1xsj n ASN 203 Ca -0.09 -1.66 0.09 0.00 -0.02 0.00 0.00 54.58 52.90 1xsj n ASN 203 Cb 0.66 -0.02 0.33 0.00 -2.36 0.00 0.00 39.78 38.38 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 -0.52 3.36 -2.69 -3.83 5.12 -1.26 -4.98 116.66 111.86 1xsj n ARG 204 Ca 0.10 -2.61 -0.11 0.00 -1.93 0.00 0.00 57.85 53.30 1xsj n ARG 204 Cb 0.08 -1.80 0.02 0.00 -1.16 0.00 0.00 32.46 29.61 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 1.18 0.15 3.16 -0.13 0.00 -1.15 -4.95 105.19 103.45 1xsj n GLY 205 Ca 0.24 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.89 0.93 0.17 1.61 -0.85 -1.26 -1.06 117.35 114.00 1xsj s TYR 206 Ca 0.17 -1.25 0.04 0.00 -0.52 0.00 0.00 57.07 55.51 1xsj s TYR 206 Cb -0.07 -0.51 -0.05 0.00 0.38 0.00 0.00 41.96 41.71 1xsj s TYR 206 CO 0.21 -0.52 -0.05 0.20 -1.52 0.00 0.00 175.55 173.87 1xsj s GLY 207 N -3.07 1.23 -0.03 5.49 0.00 0.11 -2.15 107.32 108.89 1xsj s GLY 207 Ca 0.26 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1xsj s GLY 207 CO 0.03 -1.60 -0.01 0.54 0.00 0.00 0.00 173.10 172.07 1xsj s VAL 208 N -3.42 0.24 -0.19 1.40 0.11 -0.15 -0.04 120.40 118.35 1xsj s VAL 208 Ca 0.21 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 1xsj s VAL 208 Cb 0.04 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1xsj s VAL 208 CO 0.03 0.16 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.72 1xsj s LEU 209 N 0.97 3.21 -0.31 2.54 2.96 -0.47 -1.38 118.68 126.21 1xsj s LEU 209 Ca -0.10 -0.20 -0.15 0.00 -0.22 0.00 0.00 54.13 53.45 1xsj s LEU 209 Cb -0.14 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1xsj s LEU 209 CO -0.01 0.09 0.39 -0.69 -1.32 0.00 0.00 176.35 174.80 1xsj s VAL 210 N 0.86 5.15 -1.41 1.68 1.01 -0.19 0.75 120.40 128.25 1xsj s VAL 210 Ca 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1xsj s VAL 210 Cb -0.14 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.52 1xsj s VAL 210 CO 0.02 0.02 2.54 -3.20 0.00 0.00 0.00 175.10 174.47 1xsj n ASN 211 N 5.41 8.17 -3.56 3.32 5.15 0.39 -4.78 115.26 129.36 1xsj n ASN 211 Ca -0.08 -2.98 -0.25 0.00 -0.60 0.00 0.00 54.58 50.67 1xsj n ASN 211 Cb 0.50 -1.42 -0.16 0.00 -0.53 0.00 0.00 39.78 38.17 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 -0.15 0.11 0.55 1.20 3.76 -1.26 -4.78 115.29 114.72 1xsj s HIS 212 Ca 0.58 -0.34 0.36 0.00 -0.15 0.00 0.00 55.06 55.51 1xsj s HIS 212 Cb 0.18 -0.67 2.00 0.00 1.11 0.00 0.00 32.58 35.20 1xsj s HIS 212 CO -0.08 -0.62 2.26 -1.35 -0.85 0.00 0.00 174.74 174.10 1xsj h PRO 213 N 8.39 0.00 0.00 8.40 0.11 -1.88 -3.45 132.00 143.57 1xsj h PRO 213 Ca -0.16 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.55 1xsj h PRO 213 Cb 1.12 0.00 0.17 0.00 0.11 0.00 0.00 31.00 32.39 1xsj h PRO 213 CO 0.32 0.02 0.36 0.00 -0.21 0.00 0.00 178.00 178.50 1xsj n GLN 214 N -3.41 -1.39 -1.68 1.05 0.00 -1.26 -4.40 117.38 106.30 1xsj n GLN 214 Ca -0.02 -1.88 -0.43 0.00 0.00 0.00 0.00 57.00 54.66 1xsj n GLN 214 Cb 0.12 -1.30 -0.03 0.00 0.00 0.00 0.00 30.24 29.03 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 2.95 3.82 -0.37 0.00 1.01 -1.26 -4.60 120.40 121.96 1xsj s VAL 216 Ca 0.84 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 1xsj s VAL 216 Cb -0.51 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1xsj s VAL 216 CO 0.39 0.51 0.19 -0.55 0.00 0.00 0.00 175.10 175.65 1xsj s SER 217 N 0.15 5.67 -0.17 3.32 0.15 -0.79 -1.40 113.70 120.64 1xsj s SER 217 Ca -0.02 -0.99 -0.09 0.00 0.70 0.00 0.00 55.95 55.56 1xsj s SER 217 Cb -0.14 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 1xsj s SER 217 CO 0.03 -0.37 0.13 -0.36 1.20 0.00 0.00 173.24 173.88 1xsj s PHE 218 N 1.54 3.49 -0.41 3.44 0.40 0.75 -1.40 117.98 125.80 1xsj s PHE 218 Ca 0.02 0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1xsj s PHE 218 Cb -0.19 -2.07 0.11 0.00 0.51 0.00 0.00 43.02 41.38 1xsj s PHE 218 CO 0.06 0.48 0.14 -1.21 0.70 0.00 0.00 175.22 175.39 1xsj s GLU 219 N -0.22 1.72 -0.89 0.44 0.41 0.21 -0.42 118.70 119.94 1xsj s GLU 219 Ca 0.11 -2.09 -0.19 0.00 -0.41 0.00 0.00 54.97 52.39 1xsj s GLU 219 Cb -0.11 -3.31 0.13 0.00 -1.78 0.00 0.00 34.13 29.06 1xsj s GLU 219 CO 0.01 -1.01 1.06 0.08 -0.49 0.00 0.00 175.26 174.91 1xsj s VAL 220 N 0.59 4.79 -1.83 2.63 1.01 -0.39 -1.06 120.40 126.14 1xsj s VAL 220 Ca 0.12 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1xsj s VAL 220 Cb -0.21 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.44 1xsj s VAL 220 CO -0.05 -1.44 0.00 0.61 0.00 0.00 0.00 175.10 174.22 1xsj n GLY 221 N 5.33 1.66 0.00 4.51 0.00 -0.35 0.29 105.19 116.62 1xsj n GLY 221 Ca 0.20 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.20 0.86 0.03 1.61 3.41 -1.26 -3.84 113.62 113.22 1xsj n SER 222 Ca -0.17 -0.68 -0.01 0.00 -0.26 0.00 0.00 58.87 57.74 1xsj n SER 222 Cb 0.63 1.14 -0.00 0.00 -0.26 0.00 0.00 64.21 65.72 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 -1.50 0.09 -3.71 4.33 2.13 -1.26 -4.94 120.64 115.79 1xsj n GLU 223 Ca 0.02 0.03 -0.37 0.00 0.66 0.00 0.00 57.16 57.50 1xsj n GLU 223 Cb 0.27 -0.65 -0.12 0.00 0.27 0.00 0.00 31.44 31.21 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 -2.13 3.45 0.49 5.31 -0.14 -1.26 -4.98 119.74 120.47 1xsj s LYS 224 Ca -0.05 -0.63 0.27 0.00 -1.36 0.00 0.00 55.97 54.20 1xsj s LYS 224 Cb 0.01 -3.44 1.19 0.00 -1.68 0.00 0.00 37.83 33.90 1xsj s LYS 224 CO 0.07 -0.32 1.94 -0.39 -0.76 0.00 0.00 175.35 175.89 1xsj h VAL 225 N 5.63 0.49 -0.46 3.17 -1.51 -1.92 -2.06 116.25 119.59 1xsj h VAL 225 Ca -0.35 -0.83 -0.20 0.00 -1.23 0.00 0.00 66.70 64.09 1xsj h VAL 225 Cb 1.16 1.58 -0.12 0.00 -2.13 0.00 0.00 31.29 31.77 1xsj h VAL 225 CO 0.60 0.16 0.08 -1.54 -1.23 0.00 0.00 177.57 175.63 1xsj n SER 226 N -3.44 3.15 -3.91 4.19 3.41 -1.26 -4.48 113.62 111.27 1xsj n SER 226 Ca -0.01 -3.55 -0.10 0.00 -0.26 0.00 0.00 58.87 54.95 1xsj n SER 226 Cb 0.34 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.15 0.51 -0.34 4.33 1.02 -0.77 0.45 119.74 121.78 1xsj s LYS 227 Ca 0.47 -0.60 -0.17 0.00 0.02 0.00 0.00 55.97 55.69 1xsj s LYS 227 Cb 0.41 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.91 1xsj s LYS 227 CO 0.04 -0.12 0.47 0.08 -0.92 0.00 0.00 175.35 174.90 1xsj s VAL 228 N -1.98 5.07 -0.15 3.17 1.01 -0.11 -1.21 120.40 126.20 1xsj s VAL 228 Ca -0.10 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1xsj s VAL 228 Cb -0.05 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1xsj s VAL 228 CO -0.02 -0.16 0.13 -1.58 0.00 0.00 0.00 175.10 173.47 1xsj s GLN 229 N 2.27 3.68 -0.01 2.72 0.74 -0.23 -0.69 119.66 128.14 1xsj s GLN 229 Ca 0.17 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.42 1xsj s GLN 229 Cb -0.16 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1xsj s GLN 229 CO 0.13 0.62 -0.04 -0.59 -0.55 0.00 0.00 175.29 174.86 1xsj s PHE 230 N -0.58 0.38 0.06 1.67 -0.12 -0.16 -0.62 117.98 118.61 1xsj s PHE 230 Ca 0.13 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1xsj s PHE 230 Cb -0.12 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 1xsj s PHE 230 CO 0.02 -0.03 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.56 1xsj s SER 231 N 0.10 0.85 -0.02 1.98 1.04 -0.49 -1.85 113.70 115.30 1xsj s SER 231 Ca -0.01 -0.75 -0.05 0.00 0.48 0.00 0.00 55.95 55.63 1xsj s SER 231 Cb -0.04 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1xsj s SER 231 CO -0.00 -0.35 0.11 0.54 0.98 0.00 0.00 173.24 174.52 1xsj s VAL 232 N -2.43 0.05 -0.61 5.02 0.11 -0.29 -1.88 120.40 120.37 1xsj s VAL 232 Ca -0.01 -0.38 -0.28 0.00 -2.93 0.00 0.00 61.98 58.38 1xsj s VAL 232 Cb -0.03 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1xsj s VAL 232 CO -0.03 -0.21 1.44 -0.70 -3.33 0.00 0.00 175.10 172.27 1xsj s GLU 233 N -0.68 3.20 -0.24 1.54 2.12 -1.26 -1.30 118.70 122.07 1xsj s GLU 233 Ca -0.08 0.32 -0.33 0.00 0.36 0.00 0.00 54.97 55.25 1xsj s GLU 233 Cb -0.05 -4.17 0.16 0.00 0.26 0.00 0.00 34.13 30.34 1xsj s GLU 233 CO 0.01 -2.07 1.26 0.45 -0.54 0.00 0.00 175.26 174.36 1xsj s SER 234 N 4.70 -0.11 0.00 -1.70 0.15 -1.05 -4.98 113.70 110.71 1xsj s SER 234 Ca 0.50 0.07 0.28 0.00 0.70 0.00 0.00 55.95 57.50 1xsj s SER 234 Cb -0.10 0.10 1.06 0.00 -1.71 0.00 0.00 66.02 65.37 1xsj s SER 234 CO 0.22 -0.14 1.76 -0.62 1.20 0.00 0.00 173.24 175.66 1xsj n GLU 235 N 0.27 0.58 -3.95 5.44 -0.58 -1.26 -3.47 120.64 117.66 1xsj n GLU 235 Ca -0.00 -0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.41 1xsj n GLU 235 Cb 0.58 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.59 0.23 -0.08 -0.32 -0.85 -1.26 -0.46 117.35 112.01 1xsj s TYR 236 Ca 0.25 -0.54 0.04 0.00 -0.52 0.00 0.00 57.07 56.30 1xsj s TYR 236 Cb 0.19 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.37 1xsj s TYR 236 CO 0.51 -0.34 -0.20 -1.17 -1.52 0.00 0.00 175.55 172.84 1xsj s LEU 237 N -2.06 1.93 -0.10 -3.49 2.96 0.22 -4.81 118.68 113.32 1xsj s LEU 237 Ca -0.06 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1xsj s LEU 237 Cb -0.02 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.51 1xsj s LEU 237 CO -0.04 0.12 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.30 1xsj s GLU 238 N 0.41 1.77 0.11 1.98 2.12 -1.26 -0.29 118.70 123.53 1xsj s GLU 238 Ca -0.16 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 54.83 1xsj s GLU 238 Cb -0.17 -1.65 -0.04 0.00 0.26 0.00 0.00 34.13 32.54 1xsj s GLU 238 CO 0.07 -0.16 -0.10 1.52 -0.54 0.00 0.00 175.26 176.05 1xsj s TYR 239 N 1.31 1.11 -0.12 5.30 1.13 -0.40 -0.46 117.35 125.22 1xsj s TYR 239 Ca -0.02 -0.69 0.01 0.00 -1.41 0.00 0.00 57.07 54.96 1xsj s TYR 239 Cb -0.14 -0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 40.11 1xsj s TYR 239 CO -0.05 0.01 -0.14 -0.06 -2.51 0.00 0.00 175.55 172.80 1xsj s PHE 240 N -2.68 2.77 -0.18 -3.49 0.08 0.23 -0.96 117.98 113.75 1xsj s PHE 240 Ca 0.08 -0.62 -0.17 0.00 0.12 0.00 0.00 56.93 56.35 1xsj s PHE 240 Cb -0.01 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1xsj s PHE 240 CO -0.00 -0.18 0.44 0.08 -0.10 0.00 0.00 175.22 175.46 1xsj s VAL 241 N 0.20 5.18 -0.20 -0.44 1.01 -0.47 -1.37 120.40 124.31 1xsj s VAL 241 Ca -0.09 0.81 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1xsj s VAL 241 Cb -0.15 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1xsj s VAL 241 CO 0.05 0.25 -0.17 -0.63 0.00 0.00 0.00 175.10 174.61 1xsj s ILE 242 N 1.23 2.06 0.57 2.22 1.01 0.95 -1.37 121.20 127.87 1xsj s ILE 242 Ca 0.21 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 1xsj s ILE 242 Cb -0.15 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 1xsj s ILE 242 CO 0.09 0.37 1.04 -0.62 0.00 0.00 0.00 174.94 175.81 1xsj s ASP 243 N 1.25 6.00 0.00 3.58 2.15 -0.69 0.04 116.67 128.99 1xsj s ASP 243 Ca 0.01 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.74 1xsj s ASP 243 Cb -0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1xsj s ASP 243 CO -0.11 -1.02 0.00 0.61 -0.17 0.00 0.00 175.17 174.49 1xsj n GLY 244 N -1.13 0.10 0.64 2.66 0.00 -0.22 -4.09 105.19 103.14 1xsj n GLY 244 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 1.83 -4.19 1.61 -0.04 -1.26 -4.65 135.00 128.29 1xsj n PRO 245 Ca 0.00 -1.21 -0.26 0.00 -0.04 0.00 0.00 63.50 61.99 1xsj n PRO 245 Cb 0.00 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.57 3.86 0.30 0.52 -4.23 -1.26 -4.02 115.64 109.24 1xsj s THR 246 Ca 0.22 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 1xsj s THR 246 Cb 0.12 -2.96 0.32 0.00 1.34 0.00 0.00 72.50 71.32 1xsj s THR 246 CO 0.15 -0.14 1.65 -0.65 -0.54 0.00 0.00 174.62 175.09 1xsj h PRO 247 N 2.55 0.22 -0.36 3.99 0.11 -1.87 -0.48 132.00 136.16 1xsj h PRO 247 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1xsj h PRO 247 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1xsj h PRO 247 CO 0.59 0.14 -0.10 0.87 -0.21 0.00 0.00 178.00 179.30 1xsj h LYS 248 N 0.22 0.61 -0.10 1.05 1.57 -1.96 -1.19 116.57 116.77 1xsj h LYS 248 Ca 0.60 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 59.03 1xsj h LYS 248 Cb 1.27 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1xsj h LYS 248 CO -0.66 0.70 -0.66 0.00 -0.57 0.00 0.00 179.45 178.26 1xsj h ALA 249 N 1.33 0.68 -0.46 3.86 0.00 -1.48 0.22 119.26 123.41 1xsj h ALA 249 Ca 0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1xsj h ALA 249 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xsj h ALA 249 CO 0.03 0.74 0.24 0.28 0.00 0.00 0.00 179.25 180.54 1xsj h VAL 250 N 0.28 1.17 -0.12 0.00 2.07 -0.63 -2.05 116.25 116.97 1xsj h VAL 250 Ca -0.02 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 1xsj h VAL 250 Cb 1.21 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1xsj h VAL 250 CO 0.11 0.18 -0.41 -0.07 0.02 0.00 0.00 177.57 177.41 1xsj h LEU 251 N 0.61 0.29 0.20 2.57 3.38 -0.86 0.99 115.31 122.49 1xsj h LEU 251 Ca 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsj h LEU 251 Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xsj h LEU 251 CO -0.02 0.67 -0.15 -0.78 0.09 0.00 0.00 178.44 178.25 1xsj h ASP 252 N 0.23 -0.39 -0.62 -0.43 1.82 -0.38 -1.51 116.42 115.14 1xsj h ASP 252 Ca 0.02 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 1xsj h ASP 252 Cb 0.82 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 1xsj h ASP 252 CO 0.07 -0.24 0.16 0.03 -1.61 0.00 0.00 179.24 177.64 1xsj h ARG 253 N -0.36 1.02 -0.20 0.28 3.08 -1.11 -1.85 114.38 115.23 1xsj h ARG 253 Ca -0.01 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1xsj h ARG 253 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1xsj h ARG 253 CO -0.01 0.90 0.05 -0.92 -1.07 0.00 0.00 179.97 178.93 1xsj h TYR 254 N 0.97 0.33 -0.02 3.04 3.20 -0.64 -0.79 116.97 123.06 1xsj h TYR 254 Ca 0.21 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 1xsj h TYR 254 Cb 0.34 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1xsj h TYR 254 CO 0.02 0.42 -0.56 1.79 -1.64 0.00 0.00 178.16 178.20 1xsj h THR 255 N 0.14 1.40 -0.73 1.81 1.35 -1.28 0.71 112.91 116.30 1xsj h THR 255 Ca 0.06 -1.90 -0.04 0.00 -0.55 0.00 0.00 66.41 63.98 1xsj h THR 255 Cb 0.26 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 1xsj h THR 255 CO -0.00 0.55 0.31 -0.09 -0.25 0.00 0.00 175.52 176.04 1xsj h ARG 256 N 0.03 1.06 -0.20 4.72 2.43 -1.10 0.48 114.38 121.81 1xsj h ARG 256 Ca -0.00 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1xsj h ARG 256 Cb 1.00 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1xsj h ARG 256 CO 0.07 0.85 -0.27 0.35 -1.51 0.00 0.00 179.97 179.47 1xsj h PHE 257 N 1.05 0.65 -0.00 2.20 3.57 -0.69 -3.37 116.94 120.35 1xsj h PHE 257 Ca 0.25 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xsj h PHE 257 Cb 0.17 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1xsj h PHE 257 CO 0.02 0.92 -0.26 0.25 -2.23 0.00 0.00 178.31 177.01 1xsj n THR 258 N -4.37 0.00 0.00 4.41 -2.24 0.20 -0.83 114.28 111.45 1xsj n THR 258 Ca -0.06 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1xsj n THR 258 Cb 0.45 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.99 4.06 3.72 3.38 0.00 0.17 -3.95 105.19 113.56 1xsj n GLY 259 Ca 0.02 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.25 4.61 0.27 1.61 1.81 -1.14 -4.58 118.95 117.28 1xsj s ARG 260 Ca 0.00 1.35 -0.29 0.00 -1.72 0.00 0.00 55.73 55.07 1xsj s ARG 260 Cb 0.00 -3.40 -0.14 0.00 -0.45 0.00 0.00 34.95 30.95 1xsj s ARG 260 CO 0.00 0.14 1.01 -2.30 -0.68 0.00 0.00 175.30 173.47 1xsj n PRO 261 N 3.18 1.27 -1.35 3.54 -0.02 -1.26 -4.10 135.00 136.26 1xsj n PRO 261 Ca 0.02 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 1xsj n PRO 261 Cb 0.50 -1.82 0.09 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.93 2.26 -0.41 3.55 0.00 -1.24 -4.17 121.76 120.83 1xsj s ALA 262 Ca 0.61 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 1xsj s ALA 262 Cb -0.73 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.18 1xsj s ALA 262 CO 0.59 -1.71 0.73 -1.17 0.00 0.00 0.00 175.76 174.20 1xsj s LEU 263 N -5.86 4.26 0.61 0.00 2.96 -1.26 -4.72 118.68 114.66 1xsj s LEU 263 Ca 0.61 0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.37 1xsj s LEU 263 Cb -0.16 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 1xsj s LEU 263 CO 0.56 -0.79 1.11 -2.84 -1.32 0.00 0.00 176.35 173.07 1xsj s PRO 264 N 3.06 3.06 0.54 0.98 0.02 -1.26 -4.92 135.00 136.47 1xsj s PRO 264 Ca 0.28 1.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.54 1xsj s PRO 264 Cb -0.13 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.36 1xsj s PRO 264 CO 0.19 -1.06 1.32 -1.25 -0.33 0.00 0.00 177.00 175.87 1xsj s PRO 265 N -3.78 3.21 0.41 5.54 0.04 -1.24 -4.90 135.00 134.27 1xsj s PRO 265 Ca 0.69 2.15 0.09 0.00 0.04 0.00 0.00 61.00 63.97 1xsj s PRO 265 Cb -0.21 -2.25 0.90 0.00 0.04 0.00 0.00 34.50 32.98 1xsj s PRO 265 CO 0.35 -1.11 2.01 0.00 0.04 0.00 0.00 177.00 178.29 1xsj h ALA 266 N 1.49 1.83 -0.12 8.56 0.00 -1.90 -0.75 119.26 128.37 1xsj h ALA 266 Ca -0.51 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1xsj h ALA 266 Cb 1.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xsj h ALA 266 CO 0.57 0.09 0.10 0.11 0.00 0.00 0.00 179.25 180.13 1xsj h TRP 267 N 0.54 0.00 0.00 0.00 5.08 -1.90 -1.38 115.95 118.28 1xsj h TRP 267 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.20 1xsj h TRP 267 Cb 0.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 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 -4.11 0.71 -0.02 0.11 3.41 -0.29 -1.81 113.62 111.61 1xsj n SER 268 Ca -0.00 0.65 0.15 0.00 -0.26 0.00 0.00 58.87 59.40 1xsj n SER 268 Cb 0.22 -0.81 0.77 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.25 0.00 -0.72 7.33 3.72 -0.52 -4.73 117.46 120.29 1xsj n PHE 269 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xsj n PHE 269 Cb 0.28 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 1.23 -1.48 3.67 1.37 0.00 -0.75 -4.77 105.19 104.46 1xsj n GLY 270 Ca 0.16 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 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 4.17 -0.08 0.99 2.96 -1.26 -4.29 118.68 121.17 1xsj s LEU 271 Ca 0.00 0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 54.73 1xsj s LEU 271 Cb 0.00 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 1xsj s LEU 271 CO 0.00 -0.27 0.25 0.26 -1.32 0.00 0.00 176.35 175.27 1xsj s TRP 272 N 1.79 3.64 0.04 5.38 0.52 -0.28 -1.31 118.94 128.72 1xsj s TRP 272 Ca 0.31 0.71 0.06 0.00 0.02 0.00 0.00 56.10 57.20 1xsj s TRP 272 Cb -0.16 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.04 1xsj s TRP 272 CO 0.11 0.67 -0.16 -1.17 0.02 0.00 0.00 176.95 176.42 1xsj s LEU 273 N -0.95 2.17 0.46 2.99 0.20 -0.41 -0.47 118.68 122.68 1xsj s LEU 273 Ca 0.18 -0.48 0.05 0.00 0.69 0.00 0.00 54.13 54.57 1xsj s LEU 273 Cb -0.14 -0.71 -0.04 0.00 -0.43 0.00 0.00 46.19 44.87 1xsj s LEU 273 CO 0.08 0.07 0.10 0.42 -0.29 0.00 0.00 176.35 176.72 1xsj s THR 274 N -0.84 1.78 -1.07 3.68 -4.23 -0.72 -1.06 115.64 113.18 1xsj s THR 274 Ca 0.03 -1.86 0.21 0.00 -1.18 0.00 0.00 61.69 58.89 1xsj s THR 274 Cb -0.08 -2.64 0.21 0.00 1.34 0.00 0.00 72.50 71.32 1xsj s THR 274 CO 0.01 0.00 1.66 0.35 -0.54 0.00 0.00 174.62 176.11 1xsj n THR 275 N -1.23 0.54 -1.28 3.99 -2.24 -0.94 -4.82 114.28 108.30 1xsj n THR 275 Ca -0.08 0.13 0.17 0.00 -2.27 0.00 0.00 64.05 62.00 1xsj n THR 275 Cb 0.66 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.46 -7.61 0.00 3.42 7.64 -1.26 -4.75 113.62 109.59 1xsj n SER 276 Ca 0.06 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1xsj n SER 276 Cb 0.23 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 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 -3.97 0.00 -0.46 1.43 7.35 -0.57 -4.59 117.46 116.64 1xsj n PHE 277 Ca -0.01 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.78 1xsj n PHE 277 Cb 0.59 -0.17 0.32 0.00 0.35 0.00 0.00 39.48 40.57 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 -1.69 1.34 -0.52 -2.13 -2.24 -0.67 -4.51 114.28 103.87 1xsj n THR 278 Ca 0.00 -1.10 -0.29 0.00 -2.27 0.00 0.00 64.05 60.40 1xsj n THR 278 Cb 0.00 0.35 0.26 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.35 1.75 0.15 4.28 -4.23 -1.25 -4.97 115.64 110.02 1xsj s THR 279 Ca 0.47 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 1xsj s THR 279 Cb 0.27 -2.08 -0.07 0.00 1.34 0.00 0.00 72.50 71.95 1xsj s THR 279 CO 0.28 0.00 0.64 0.20 -0.54 0.00 0.00 174.62 175.20 1xsj s ASN 280 N -2.75 7.05 -0.18 3.99 0.02 -1.26 -5.04 114.94 116.77 1xsj s ASN 280 Ca 0.69 1.32 -0.22 0.00 -1.02 0.00 0.00 52.86 53.63 1xsj s ASN 280 Cb -0.21 -2.38 0.06 0.00 0.02 0.00 0.00 41.25 38.74 1xsj s ASN 280 CO 0.62 0.15 0.59 -0.72 0.02 0.00 0.00 177.10 177.77 1xsj s TYR 281 N -1.32 -0.62 0.19 2.20 1.13 -1.26 -5.02 117.35 112.65 1xsj s TYR 281 Ca 0.36 1.43 -0.03 0.00 -1.41 0.00 0.00 57.07 57.41 1xsj s TYR 281 Cb -0.18 0.24 0.01 0.00 -1.10 0.00 0.00 41.96 40.94 1xsj s TYR 281 CO 0.21 -0.37 0.32 -0.40 -2.51 0.00 0.00 175.55 172.80 1xsj n ASP 282 N 2.37 -0.90 -0.21 -0.18 5.68 -1.26 -4.95 116.55 117.09 1xsj n ASP 282 Ca -0.15 -1.95 -0.01 0.00 -0.50 0.00 0.00 54.79 52.19 1xsj n ASP 282 Cb 0.56 1.59 0.11 0.00 -1.14 0.00 0.00 41.12 42.24 1xsj n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xsj h GLU 283 N 0.00 0.50 -0.41 0.11 4.81 -2.00 -1.44 114.58 116.15 1xsj h GLU 283 Ca -0.16 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1xsj h GLU 283 Cb 0.64 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1xsj h GLU 283 CO 0.21 0.33 0.15 0.00 -0.73 0.00 0.00 179.01 178.97 1xsj h ALA 284 N 1.39 0.49 -0.47 2.92 0.00 -1.97 -1.00 119.26 120.62 1xsj h ALA 284 Ca 0.30 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1xsj h ALA 284 Cb 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1xsj h ALA 284 CO -0.25 -0.23 0.25 1.15 0.00 0.00 0.00 179.25 180.17 1xsj h THR 285 N 0.32 1.00 -0.17 0.00 2.02 -1.72 0.08 112.91 114.44 1xsj h THR 285 Ca 0.19 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1xsj h THR 285 Cb 0.16 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1xsj h THR 285 CO -0.18 0.09 0.04 0.58 0.37 0.00 0.00 175.52 176.42 1xsj h VAL 286 N 0.51 1.20 -0.98 3.16 2.07 -0.87 -2.09 116.25 119.26 1xsj h VAL 286 Ca 0.20 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1xsj h VAL 286 Cb 0.07 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1xsj h VAL 286 CO -0.12 0.20 0.63 0.78 0.02 0.00 0.00 177.57 179.08 1xsj h ASN 287 N 0.08 1.03 -0.49 0.57 2.35 -1.06 -1.17 115.58 116.90 1xsj h ASN 287 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1xsj h ASN 287 Cb 0.26 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1xsj h ASN 287 CO 0.00 0.68 0.32 -1.28 -1.65 0.00 0.00 177.43 175.50 1xsj h SER 288 N 1.18 0.57 -0.11 5.81 0.87 -0.49 0.86 113.55 122.24 1xsj h SER 288 Ca 0.41 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.85 1xsj h SER 288 Cb 0.09 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1xsj h SER 288 CO -0.15 0.42 -0.32 -0.26 -0.53 0.00 0.00 176.83 175.99 1xsj h PHE 289 N 0.67 0.53 -0.33 2.24 0.04 -0.61 -0.96 116.94 118.52 1xsj h PHE 289 Ca 0.18 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 1xsj h PHE 289 Cb -0.07 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1xsj h PHE 289 CO 0.00 0.93 0.02 0.82 -0.60 0.00 0.00 178.31 179.48 1xsj h ILE 290 N -0.01 1.25 -0.23 -0.55 2.04 -0.88 0.26 117.51 119.38 1xsj h ILE 290 Ca -0.01 -0.90 -0.12 0.00 1.00 0.00 0.00 64.86 64.83 1xsj h ILE 290 Cb 0.93 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1xsj h ILE 290 CO 0.07 0.30 -0.36 0.44 0.00 0.00 0.00 178.15 178.59 1xsj h ASP 291 N 0.38 0.53 -0.85 1.72 3.32 -0.96 -2.48 116.42 118.08 1xsj h ASP 291 Ca 0.10 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1xsj h ASP 291 Cb 0.41 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1xsj h ASP 291 CO 0.01 0.85 0.49 1.23 -1.72 0.00 0.00 179.24 180.10 1xsj h GLY 292 N 1.07 1.26 0.94 2.75 0.00 -0.85 -0.40 103.07 107.84 1xsj h GLY 292 Ca 0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1xsj h GLY 292 CO 0.07 0.53 -0.24 -0.33 0.00 0.00 0.00 176.54 176.56 1xsj h MET 293 N 1.18 -0.66 -0.53 4.80 2.86 -0.83 -3.05 114.93 118.70 1xsj h MET 293 Ca 0.30 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1xsj h MET 293 Cb -0.00 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1xsj h MET 293 CO -0.05 -0.41 0.27 0.00 1.06 0.00 0.00 176.91 177.79 1xsj h ALA 294 N -0.28 1.49 0.00 6.32 0.00 -1.27 -1.56 119.26 123.96 1xsj h ALA 294 Ca -0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1xsj h ALA 294 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xsj h ALA 294 CO 0.11 0.42 -0.19 0.93 0.00 0.00 0.00 179.25 180.52 1xsj h GLU 295 N 0.74 0.00 -0.68 0.00 5.08 -1.08 -2.10 114.58 116.54 1xsj h GLU 295 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xsj h GLU 295 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xsj h GLU 295 CO -0.03 0.19 0.00 0.54 -1.00 0.00 0.00 179.01 178.71 1xsj n ARG 296 N -3.67 2.87 -3.66 2.33 1.74 -0.67 -4.95 116.66 110.65 1xsj n ARG 296 Ca -0.01 -2.53 -0.22 0.00 -0.77 0.00 0.00 57.85 54.32 1xsj n ARG 296 Cb 0.31 -1.63 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.37 -2.43 -4.15 0.55 3.02 -0.79 -4.98 115.26 107.85 1xsj n ASN 297 Ca 0.23 -0.74 -0.36 0.00 -0.03 0.00 0.00 54.58 53.69 1xsj n ASN 297 Cb 0.66 -4.38 -0.12 0.00 -0.61 0.00 0.00 39.78 35.32 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 -6.76 4.67 0.41 3.41 1.43 -0.69 -4.91 118.68 116.23 1xsj s LEU 298 Ca 0.16 -1.67 -0.27 0.00 -1.03 0.00 0.00 54.13 51.33 1xsj s LEU 298 Cb -0.08 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 1xsj s LEU 298 CO 0.79 -0.42 1.42 -2.65 0.23 0.00 0.00 176.35 175.72 1xsj n PRO 299 N 4.62 2.38 -3.78 1.29 -0.02 -1.26 -4.26 135.00 133.96 1xsj n PRO 299 Ca -0.07 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1xsj n PRO 299 Cb 0.42 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.18 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 -2.12 1.05 0.00 2.45 2.96 -1.26 -4.80 118.68 116.96 1xsj s LEU 300 Ca 0.57 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1xsj s LEU 300 Cb -0.48 0.38 0.00 0.00 0.50 0.00 0.00 46.19 46.59 1xsj s LEU 300 CO 0.61 -0.11 0.00 1.41 -1.32 0.00 0.00 176.35 176.94 1xsj n HIS 301 N 3.72 0.00 -3.92 5.38 8.25 -0.43 -4.89 115.22 123.33 1xsj n HIS 301 Ca -0.21 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.11 1xsj n HIS 301 Cb 0.55 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.97 0.12 -0.08 1.59 1.01 -0.89 -0.84 120.40 119.34 1xsj s VAL 302 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1xsj s VAL 302 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1xsj s VAL 302 CO 0.00 0.08 -0.22 0.12 0.00 0.00 0.00 175.10 175.08 1xsj s PHE 303 N 0.46 2.55 -0.12 5.22 5.36 0.44 -1.29 117.98 130.61 1xsj s PHE 303 Ca -0.04 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.25 1xsj s PHE 303 Cb -0.07 -1.66 0.00 0.00 -0.34 0.00 0.00 43.02 40.95 1xsj s PHE 303 CO -0.01 -0.21 -0.21 -1.58 -1.46 0.00 0.00 175.22 171.76 1xsj s HIS 304 N -0.05 2.66 -0.31 10.12 5.65 -0.22 -0.74 115.29 132.39 1xsj s HIS 304 Ca -0.06 -1.07 -0.18 0.00 0.25 0.00 0.00 55.06 54.00 1xsj s HIS 304 Cb -0.15 -1.78 -0.01 0.00 -1.18 0.00 0.00 32.58 29.46 1xsj s HIS 304 CO 0.05 -0.45 0.54 -0.06 -0.65 0.00 0.00 174.74 174.16 1xsj s PHE 305 N 0.54 3.22 0.00 3.88 0.08 -0.56 -2.23 117.98 122.91 1xsj s PHE 305 Ca -0.13 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.35 1xsj s PHE 305 Cb -0.17 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1xsj s PHE 305 CO 0.04 -0.43 0.00 -3.47 -0.10 0.00 0.00 175.22 171.26 1xsj n ASP 306 N 5.70 0.00 -0.09 1.36 2.03 -1.26 -1.01 116.55 123.28 1xsj n ASP 306 Ca -0.04 -0.60 0.05 0.00 0.52 0.00 0.00 54.79 54.72 1xsj n ASP 306 Cb 0.49 0.00 0.38 0.00 -0.72 0.00 0.00 41.12 41.27 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 -4.46 0.00 0.23 0.00 3.72 -1.26 -2.11 117.46 113.57 1xsj n PHE 308 Ca 0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 1xsj n PHE 308 Cb 0.12 -0.03 0.43 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.18 0.00 -2.19 1.38 5.08 -1.61 -3.44 115.95 115.35 1xsj h TRP 309 Ca 0.00 0.00 -0.46 0.00 1.08 0.00 0.00 58.89 59.51 1xsj h TRP 309 Cb 0.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.33 1xsj h TRP 309 CO 0.00 0.14 -0.35 -1.64 -1.28 0.00 0.00 178.44 175.31 1xsj s MET 310 N -3.50 3.32 0.26 0.12 -1.94 -0.90 -0.93 119.30 115.74 1xsj s MET 310 Ca 0.02 -0.76 -0.30 0.00 -1.71 0.00 0.00 55.69 52.95 1xsj s MET 310 Cb 0.09 -2.82 -0.10 0.00 2.01 0.00 0.00 34.83 34.01 1xsj s MET 310 CO 0.63 0.24 1.31 0.15 -0.01 0.00 0.00 175.02 177.33 1xsj s LYS 311 N -4.12 4.38 0.33 2.03 1.02 -1.26 -4.74 119.74 117.39 1xsj s LYS 311 Ca 0.39 2.13 -0.27 0.00 0.02 0.00 0.00 55.97 58.24 1xsj s LYS 311 Cb -0.09 -3.14 -0.13 0.00 -0.52 0.00 0.00 37.83 33.95 1xsj s LYS 311 CO 0.31 -0.21 0.95 0.00 -0.92 0.00 0.00 175.35 175.48 1xsj n ALA 312 N 1.83 -0.31 -0.59 5.17 0.00 -1.26 -1.91 120.51 123.44 1xsj n ALA 312 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xsj n ALA 312 Cb 0.42 -2.00 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 -0.06 0.00 -0.39 0.00 3.72 -1.26 -4.78 117.46 114.69 1xsj n PHE 313 Ca 0.10 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.57 1xsj n PHE 313 Cb 0.34 -0.56 0.21 0.00 -0.94 0.00 0.00 39.48 38.53 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 2.95 -1.85 -1.08 6.02 -0.80 -3.86 117.38 116.76 1xsj n GLN 314 Ca 0.00 -2.33 -0.40 0.00 -0.01 0.00 0.00 57.00 54.27 1xsj n GLN 314 Cb 0.00 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 29.81 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 -1.44 2.51 -1.39 1.08 0.51 -1.25 -2.08 118.94 116.89 1xsj s TRP 315 Ca 0.31 1.31 -0.11 0.00 -2.12 0.00 0.00 56.10 55.49 1xsj s TRP 315 Cb 0.19 -3.85 0.01 0.00 -0.81 0.00 0.00 33.47 29.02 1xsj s TRP 315 CO 0.16 -2.75 0.36 0.00 -0.51 0.00 0.00 176.95 174.22 1xsj n ASP 317 N -2.71 2.27 -0.92 0.00 5.75 -0.88 -4.75 116.55 115.31 1xsj n ASP 317 Ca -0.25 -1.64 -0.12 0.00 -0.01 0.00 0.00 54.79 52.78 1xsj n ASP 317 Cb 0.65 0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.72 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 0.82 0.00 -4.03 2.11 3.72 -1.26 -5.01 117.46 113.82 1xsj n PHE 318 Ca 0.09 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.14 1xsj n PHE 318 Cb 0.39 -2.22 -0.13 0.00 -0.94 0.00 0.00 39.48 36.58 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 -3.01 3.55 0.32 -1.08 0.41 -1.26 -5.06 118.70 112.57 1xsj s GLU 319 Ca 0.00 -0.55 -0.29 0.00 -0.41 0.00 0.00 54.97 53.72 1xsj s GLU 319 Cb 0.00 -3.07 -0.12 0.00 -1.78 0.00 0.00 34.13 29.17 1xsj s GLU 319 CO 0.00 -0.05 1.54 0.91 -0.49 0.00 0.00 175.26 177.17 1xsj n TRP 320 N 4.42 2.82 -1.75 1.61 7.02 -1.26 -4.08 117.44 126.22 1xsj n TRP 320 Ca -0.17 0.33 -0.43 0.00 -1.02 0.00 0.00 57.50 56.21 1xsj n TRP 320 Cb 0.52 -2.56 -0.03 0.00 -2.42 0.00 0.00 31.31 26.81 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 0.28 5.83 0.40 -0.99 -1.08 -0.10 -4.84 116.67 116.16 1xsj s ASP 321 Ca 0.61 1.90 0.28 0.00 -0.52 0.00 0.00 52.55 54.82 1xsj s ASP 321 Cb -0.50 -2.52 1.14 0.00 -1.46 0.00 0.00 42.92 39.57 1xsj s ASP 321 CO 0.53 -1.66 1.84 -0.65 0.52 0.00 0.00 175.17 175.75 1xsj h PRO 322 N 13.33 0.00 0.10 4.34 0.11 -1.91 0.32 132.00 148.29 1xsj h PRO 322 Ca -0.40 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.40 1xsj h PRO 322 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xsj h PRO 322 CO 0.97 0.00 -1.61 -0.07 -0.21 0.00 0.00 178.00 177.09 1xsj h LEU 323 N 0.00 0.33 0.02 2.35 3.38 -1.97 -3.19 115.31 116.23 1xsj h LEU 323 Ca 0.00 -0.51 -0.30 0.00 0.09 0.00 0.00 57.88 57.16 1xsj h LEU 323 Cb 0.47 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1xsj h LEU 323 CO 0.00 1.43 -1.71 0.74 0.09 0.00 0.00 178.44 178.99 1xsj h THR 324 N 0.06 0.86 -2.21 0.22 2.02 -1.89 -3.41 112.91 108.56 1xsj h THR 324 Ca -0.27 -2.69 -0.58 0.00 0.77 0.00 0.00 66.41 63.64 1xsj h THR 324 Cb 2.01 2.46 -0.40 0.00 -1.74 0.00 0.00 68.15 70.48 1xsj h THR 324 CO 0.14 0.56 -0.89 0.49 0.37 0.00 0.00 175.52 176.20 1xsj n PHE 325 N -3.12 1.10 -0.11 3.16 3.72 0.11 -3.95 117.46 118.37 1xsj n PHE 325 Ca -0.18 -3.77 0.16 0.00 -0.05 0.00 0.00 57.45 53.61 1xsj n PHE 325 Cb 1.05 -0.35 0.56 0.00 -0.94 0.00 0.00 39.48 39.80 1xsj n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xsj h PRO 326 N 4.41 0.28 -2.14 -1.08 0.11 -1.73 -3.35 132.00 128.50 1xsj h PRO 326 Ca 0.15 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.72 1xsj h PRO 326 Cb 0.81 -0.06 -0.35 0.00 0.11 0.00 0.00 31.00 31.51 1xsj h PRO 326 CO 0.59 0.19 -0.90 -3.47 -0.21 0.00 0.00 178.00 174.19 1xsj n ASP 327 N -4.45 -0.97 -0.01 -2.05 2.03 -1.26 -5.01 116.55 104.85 1xsj n ASP 327 Ca 0.13 -2.46 -0.12 0.00 0.52 0.00 0.00 54.79 52.85 1xsj n ASP 327 Cb 0.54 -0.19 -0.08 0.00 -0.72 0.00 0.00 41.12 40.67 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 5.52 0.07 -0.36 -0.67 0.11 -1.99 -0.74 132.00 133.95 1xsj h PRO 328 Ca 0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1xsj h PRO 328 Cb 0.94 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1xsj h PRO 328 CO 0.31 0.33 0.23 1.49 -0.21 0.00 0.00 178.00 180.15 1xsj h GLU 329 N -0.20 0.48 -0.21 1.05 4.81 -1.95 0.06 114.58 118.62 1xsj h GLU 329 Ca 0.01 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1xsj h GLU 329 Cb 0.30 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1xsj h GLU 329 CO 0.00 0.34 0.06 0.78 -0.73 0.00 0.00 179.01 179.46 1xsj h GLY 330 N 0.48 0.24 1.00 1.92 0.00 -1.93 -2.11 103.07 102.66 1xsj h GLY 330 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1xsj h GLY 330 CO -0.03 0.02 0.21 1.98 0.00 0.00 0.00 176.54 178.71 1xsj h MET 331 N 0.15 0.41 -0.05 4.80 1.85 -0.80 -2.14 114.93 119.14 1xsj h MET 331 Ca 0.09 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1xsj h MET 331 Cb 0.07 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.01 1xsj h MET 331 CO -0.11 0.27 0.03 0.82 -0.40 0.00 0.00 176.91 177.53 1xsj h ILE 332 N 0.42 1.03 -0.63 1.77 2.04 -0.84 -1.19 117.51 120.10 1xsj h ILE 332 Ca 0.12 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 66.02 1xsj h ILE 332 Cb -0.04 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1xsj h ILE 332 CO -0.03 0.02 0.20 -0.09 0.00 0.00 0.00 178.15 178.26 1xsj h ARG 333 N 0.06 0.34 -0.34 2.37 2.43 -1.32 -0.37 114.38 117.55 1xsj h ARG 333 Ca 0.02 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1xsj h ARG 333 Cb 0.01 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1xsj h ARG 333 CO -0.00 0.23 0.12 0.00 -1.51 0.00 0.00 179.97 178.81 1xsj h ARG 334 N 0.35 0.27 0.00 0.20 3.08 -0.96 -1.96 114.38 115.35 1xsj h ARG 334 Ca 0.33 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 1xsj h ARG 334 Cb 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1xsj h ARG 334 CO -0.36 0.18 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.31 1xsj h LEU 335 N 0.27 0.00 -0.29 3.04 3.38 -0.48 -2.56 115.31 118.68 1xsj h LEU 335 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xsj h LEU 335 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xsj h LEU 335 CO -0.15 0.34 0.00 0.50 0.09 0.00 0.00 178.44 179.22 1xsj h LYS 336 N 0.00 0.00 -0.48 1.13 1.63 -0.61 -3.33 116.57 114.91 1xsj h LYS 336 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1xsj h LYS 336 Cb 0.64 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 1xsj h LYS 336 CO 0.04 0.00 0.23 0.00 -3.45 0.00 0.00 179.45 176.28 1xsj h ALA 337 N 2.17 0.62 0.00 5.00 0.00 -0.93 -1.95 119.26 124.16 1xsj h ALA 337 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsj h ALA 337 Cb 0.80 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xsj h ALA 337 CO 0.00 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.06 1xsj n LYS 338 N -4.63 0.56 -0.65 0.00 5.02 -1.25 -4.85 118.16 112.36 1xsj n LYS 338 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1xsj n LYS 338 Cb 0.11 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1xsj n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsj n GLY 339 N 0.46 0.22 3.77 0.72 0.00 -0.73 -5.00 105.19 104.63 1xsj n GLY 339 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xsj n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 340 N 0.00 4.25 0.26 0.99 1.43 -1.25 -5.03 118.68 119.33 1xsj s LEU 340 Ca 0.00 2.90 -0.11 0.00 -1.03 0.00 0.00 54.13 55.89 1xsj s LEU 340 Cb 0.00 -3.79 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 1xsj s LEU 340 CO 0.00 -0.93 0.61 -0.54 0.23 0.00 0.00 176.35 175.72 1xsj s LYS 341 N -2.19 3.84 -0.10 1.70 -0.14 -0.02 -4.57 119.74 118.25 1xsj s LYS 341 Ca 0.56 0.37 0.02 0.00 -1.36 0.00 0.00 55.97 55.55 1xsj s LYS 341 Cb -0.43 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.15 1xsj s LYS 341 CO 0.57 0.25 -0.14 0.42 -0.76 0.00 0.00 175.35 175.69 1xsj s ILE 342 N -1.90 1.42 0.10 2.17 1.09 -1.26 -0.42 121.20 122.41 1xsj s ILE 342 Ca 0.49 -0.60 0.08 0.00 -1.10 0.00 0.00 60.65 59.52 1xsj s ILE 342 Cb -0.11 -1.31 -0.04 0.00 -1.06 0.00 0.00 42.46 39.95 1xsj s ILE 342 CO 0.21 0.43 -0.15 0.00 -0.10 0.00 0.00 174.94 175.32 1xsj s VAL 344 N -1.12 1.49 0.17 0.00 -7.23 -1.08 -1.49 120.40 111.14 1xsj s VAL 344 Ca 0.18 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1xsj s VAL 344 Cb -0.11 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.22 1xsj s VAL 344 CO 0.10 -0.28 1.26 0.86 -0.31 0.00 0.00 175.10 176.73 1xsj s TRP 345 N -1.75 3.34 0.10 2.82 -0.00 -0.18 -1.14 118.94 122.12 1xsj s TRP 345 Ca 0.08 1.28 -0.01 0.00 -0.00 0.00 0.00 56.10 57.45 1xsj s TRP 345 Cb -0.07 -3.53 -0.04 0.00 -0.00 0.00 0.00 33.47 29.83 1xsj s TRP 345 CO 0.04 -1.61 0.02 0.96 -0.00 0.00 0.00 176.95 176.35 1xsj s ILE 346 N 0.24 0.18 0.34 5.86 -4.36 -0.87 -4.91 121.20 117.68 1xsj s ILE 346 Ca 0.56 -1.87 -0.04 0.00 -0.26 0.00 0.00 60.65 59.04 1xsj s ILE 346 Cb -0.34 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.55 1xsj s ILE 346 CO 0.36 -0.68 0.51 -0.46 0.24 0.00 0.00 174.94 174.90 1xsj n ASN 347 N -0.02 -1.43 -1.92 4.36 6.94 -1.26 -1.89 115.26 120.04 1xsj n ASN 347 Ca -0.09 -2.72 -0.11 0.00 -0.02 0.00 0.00 54.58 51.64 1xsj n ASN 347 Cb 0.63 2.59 0.25 0.00 -2.36 0.00 0.00 39.78 40.89 1xsj n ASN 347 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1xsj n PRO 348 N -0.53 2.95 -4.49 -0.53 -0.04 -1.26 -4.85 135.00 126.24 1xsj n PRO 348 Ca -0.01 -3.07 -0.25 0.00 -0.04 0.00 0.00 63.50 60.14 1xsj n PRO 348 Cb 0.55 -2.14 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 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 -3.13 2.30 -0.06 0.54 2.02 -1.26 -1.63 117.35 116.14 1xsj s TYR 349 Ca 0.54 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1xsj s TYR 349 Cb 0.45 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.88 1xsj s TYR 349 CO 0.11 0.64 0.14 -1.50 -1.57 0.00 0.00 175.55 173.37 1xsj s ILE 350 N -2.58 -0.02 0.27 2.71 2.07 -0.30 -3.76 121.20 119.58 1xsj s ILE 350 Ca 0.31 0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 59.34 1xsj s ILE 350 Cb -0.02 -0.22 -0.09 0.00 0.13 0.00 0.00 42.46 42.26 1xsj s ILE 350 CO 0.15 0.03 0.98 -0.83 -1.91 0.00 0.00 174.94 173.36 1xsj s GLY 351 N 0.60 3.04 0.48 1.50 0.00 -1.06 -1.19 107.32 110.68 1xsj s GLY 351 Ca -0.04 0.66 0.22 0.00 0.00 0.00 0.00 44.72 45.56 1xsj s GLY 351 CO -0.03 1.21 1.92 -1.61 0.00 0.00 0.00 173.10 174.59 1xsj h GLN 352 N 3.84 0.19 0.00 2.90 4.15 -1.30 -2.16 115.11 122.72 1xsj h GLN 352 Ca -0.46 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.95 1xsj h GLN 352 Cb 1.20 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 1xsj h GLN 352 CO 0.67 0.13 -0.00 -0.22 -1.93 0.00 0.00 178.83 177.47 1xsj h LYS 353 N 0.20 0.00 -6.77 1.69 3.64 -1.78 -3.44 116.57 110.11 1xsj h LYS 353 Ca 0.36 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.21 1xsj h LYS 353 Cb 1.14 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 33.04 1xsj h LYS 353 CO -0.07 0.00 0.90 0.45 -2.27 0.00 0.00 179.45 178.47 1xsj n SER 354 N -4.43 3.89 0.17 4.20 2.88 -0.81 -4.83 113.62 114.68 1xsj n SER 354 Ca -0.03 1.13 0.19 0.00 -1.33 0.00 0.00 58.87 58.83 1xsj n SER 354 Cb 0.09 -1.59 0.78 0.00 -0.75 0.00 0.00 64.21 62.74 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 5.12 0.00 0.00 -1.46 0.11 -1.91 -1.15 132.00 132.71 1xsj h PRO 355 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xsj h PRO 355 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xsj h PRO 355 CO 0.82 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.89 1xsj h VAL 356 N 0.00 0.00 -0.37 3.15 2.07 -1.93 -3.35 116.25 115.83 1xsj h VAL 356 Ca 0.13 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.81 1xsj h VAL 356 Cb 0.87 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 1xsj h VAL 356 CO -0.00 0.00 -0.11 0.15 0.02 0.00 0.00 177.57 177.63 1xsj h PHE 357 N 0.00 -0.25 -0.60 1.57 3.04 -1.48 -1.52 116.94 117.71 1xsj h PHE 357 Ca 0.00 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.08 1xsj h PHE 357 Cb 0.94 0.17 -0.07 0.00 2.56 0.00 0.00 35.95 39.54 1xsj h PHE 357 CO 0.00 -0.18 0.20 -0.22 -2.02 0.00 0.00 178.31 176.09 1xsj h LYS 358 N -0.03 0.36 -0.14 1.11 3.64 -1.75 0.17 116.57 119.93 1xsj h LYS 358 Ca 0.18 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1xsj h LYS 358 Cb 0.30 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1xsj h LYS 358 CO -0.40 0.24 -0.09 1.49 -2.27 0.00 0.00 179.45 178.42 1xsj h GLU 359 N 0.37 -0.10 -0.74 1.90 4.81 -1.59 0.06 114.58 119.30 1xsj h GLU 359 Ca 0.30 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1xsj h GLU 359 Cb 0.39 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1xsj h GLU 359 CO -0.32 -0.06 0.25 -0.07 -0.73 0.00 0.00 179.01 178.08 1xsj h LEU 360 N -0.10 1.05 -0.26 1.64 3.38 -0.29 -0.71 115.31 120.02 1xsj h LEU 360 Ca 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1xsj h LEU 360 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xsj h LEU 360 CO -0.20 0.96 0.09 -0.61 0.09 0.00 0.00 178.44 178.77 1xsj h GLN 361 N 1.08 0.40 -0.65 1.13 4.15 -0.51 -0.65 115.11 120.06 1xsj h GLN 361 Ca 0.24 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 1xsj h GLN 361 Cb 0.27 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1xsj h GLN 361 CO -0.01 0.46 0.23 0.93 -1.93 0.00 0.00 178.83 178.51 1xsj h GLU 362 N 0.26 1.00 0.00 1.69 5.08 -0.65 -2.71 114.58 119.24 1xsj h GLU 362 Ca 0.08 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1xsj h GLU 362 Cb 0.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xsj h GLU 362 CO -0.00 0.85 0.00 1.63 -1.00 0.00 0.00 179.01 180.49 1xsj n LYS 363 N -4.38 0.20 -1.64 2.33 5.02 -0.30 -4.92 118.16 114.47 1xsj n LYS 363 Ca 0.04 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1xsj n LYS 363 Cb 0.19 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1xsj n LYS 363 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsj n GLY 364 N 0.80 0.50 0.44 0.72 0.00 -0.46 -4.97 105.19 102.22 1xsj n GLY 364 Ca 0.04 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.56 0.04 -4.64 1.61 4.01 -0.38 -4.90 117.16 109.34 1xsj n TYR 365 Ca 0.00 -0.02 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 1xsj n TYR 365 Cb 0.36 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.91 2.84 0.01 7.72 1.43 -1.26 -1.46 118.68 126.05 1xsj s LEU 366 Ca 0.38 -0.27 -0.36 0.00 -1.03 0.00 0.00 54.13 52.84 1xsj s LEU 366 Cb 0.20 -1.64 -0.15 0.00 0.03 0.00 0.00 46.19 44.64 1xsj s LEU 366 CO 0.32 0.29 1.58 -0.11 0.23 0.00 0.00 176.35 178.66 1xsj n LEU 367 N 1.72 2.54 -4.70 1.79 7.94 0.38 -4.73 117.00 121.93 1xsj n LEU 367 Ca -0.16 1.07 -0.26 0.00 -1.11 0.00 0.00 56.01 55.56 1xsj n LEU 367 Cb 0.52 -1.28 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 1xsj n LEU 367 CO 0.28 -0.53 -0.29 -0.54 -1.11 0.00 0.00 177.39 175.20 1xsj s LYS 368 N 1.83 2.53 0.68 1.96 1.02 -1.26 -1.82 119.74 124.68 1xsj s LYS 368 Ca 0.87 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 55.66 1xsj s LYS 368 Cb -0.85 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1xsj s LYS 368 CO 0.49 0.44 1.05 1.03 -0.92 0.00 0.00 175.35 177.44 1xsj s ARG 369 N -3.15 2.76 0.57 1.68 0.52 -0.66 -0.75 118.95 119.93 1xsj s ARG 369 Ca 0.29 0.26 0.26 0.00 -0.52 0.00 0.00 55.73 56.02 1xsj s ARG 369 Cb -0.09 -2.09 1.65 0.00 0.52 0.00 0.00 34.95 34.94 1xsj s ARG 369 CO 0.20 -1.00 2.22 -1.35 0.02 0.00 0.00 175.30 175.39 1xsj h PRO 370 N -0.55 0.00 0.00 3.54 0.11 -1.84 0.15 132.00 133.41 1xsj h PRO 370 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.63 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 1xsj n ASP 371 N -4.04 0.00 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.98 1xsj n ASP 371 Ca -0.03 0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 1xsj n ASP 371 Cb 0.09 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 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 0.48 2.56 3.64 6.12 0.00 0.04 -5.08 105.19 112.95 1xsj n GLY 372 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.31 2.54 0.25 1.61 1.04 -1.26 -4.76 113.70 111.80 1xsj s SER 373 Ca 0.00 1.58 -0.30 0.00 0.48 0.00 0.00 55.95 57.71 1xsj s SER 373 Cb 0.00 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.79 1xsj s SER 373 CO 0.00 -3.24 1.02 -0.76 0.98 0.00 0.00 173.24 171.24 1xsj s LEU 374 N -6.61 4.59 -0.06 2.42 1.43 -1.26 -1.65 118.68 117.55 1xsj s LEU 374 Ca 0.66 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 55.55 1xsj s LEU 374 Cb -0.21 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1xsj s LEU 374 CO 0.59 -0.00 1.34 0.86 0.23 0.00 0.00 176.35 179.37 1xsj s TRP 375 N -1.05 2.87 0.03 0.29 -0.00 -0.76 -4.70 118.94 115.62 1xsj s TRP 375 Ca 0.43 0.91 -0.00 0.00 -0.00 0.00 0.00 56.10 57.44 1xsj s TRP 375 Cb -0.29 -3.58 -0.03 0.00 -0.00 0.00 0.00 33.47 29.58 1xsj s TRP 375 CO 0.36 -2.09 -0.03 -0.65 -0.00 0.00 0.00 176.95 174.54 1xsj s GLN 376 N 2.74 0.39 0.37 5.86 -0.21 -1.26 -4.42 119.66 123.13 1xsj s GLN 376 Ca 0.60 -0.77 -0.04 0.00 0.02 0.00 0.00 55.36 55.17 1xsj s GLN 376 Cb -0.28 0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.89 1xsj s GLN 376 CO 0.23 -0.07 0.55 1.67 -2.12 0.00 0.00 175.29 175.55 1xsj s TRP 377 N -2.11 0.96 -1.25 0.91 1.48 -0.97 -4.95 118.94 113.00 1xsj s TRP 377 Ca -0.10 -1.26 0.14 0.00 -1.06 0.00 0.00 56.10 53.81 1xsj s TRP 377 Cb -0.05 0.08 0.36 0.00 -1.16 0.00 0.00 33.47 32.70 1xsj s TRP 377 CO -0.03 -1.26 1.29 -0.25 -4.06 0.00 0.00 176.95 172.63 1xsj n ASP 378 N -1.57 3.08 -4.75 -2.66 8.00 -1.26 -1.26 116.55 116.12 1xsj n ASP 378 Ca -0.01 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.13 1xsj n ASP 378 Cb 0.61 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.02 4.76 0.00 -1.24 -0.14 -1.26 -4.39 119.74 116.45 1xsj s LYS 379 Ca 0.28 1.59 0.00 0.00 -1.36 0.00 0.00 55.97 56.48 1xsj s LYS 379 Cb 0.15 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 1xsj s LYS 379 CO 0.20 0.36 0.00 1.87 -0.76 0.00 0.00 175.35 177.02 1xsj n TRP 380 N 1.67 0.00 -4.26 3.18 -0.00 -1.26 -4.77 117.44 112.00 1xsj n TRP 380 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 1xsj n TRP 380 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.65 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 1.05 0.22 5.87 -1.52 -1.26 -5.00 119.66 119.02 1xsj s GLN 381 Ca 0.00 -1.12 -0.31 0.00 -1.95 0.00 0.00 55.36 51.98 1xsj s GLN 381 Cb 0.00 -1.25 -0.11 0.00 -0.22 0.00 0.00 33.01 31.43 1xsj s GLN 381 CO 0.00 0.29 1.63 -2.14 -0.25 0.00 0.00 175.29 174.81 1xsj s PRO 382 N -1.88 4.16 -1.76 2.91 0.02 -1.26 -2.77 135.00 134.42 1xsj s PRO 382 Ca 0.04 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1xsj s PRO 382 Cb -0.10 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1xsj s PRO 382 CO 0.04 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1xsj n GLY 383 N 3.32 -0.27 3.73 0.52 0.00 -1.14 -1.83 105.19 109.53 1xsj n GLY 383 Ca 0.13 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.85 4.17 -4.57 0.99 0.00 -0.39 -3.13 117.00 111.21 1xsj n LEU 384 Ca -0.24 1.10 -0.27 0.00 0.00 0.00 0.00 56.01 56.61 1xsj n LEU 384 Cb 0.68 -1.58 -0.11 0.00 0.00 0.00 0.00 43.42 42.41 1xsj n LEU 384 CO 0.28 0.16 -0.35 0.00 0.00 0.00 0.00 177.39 177.49 1xsj s ALA 385 N 0.58 3.04 -0.08 1.96 0.00 -0.33 -2.30 121.76 124.63 1xsj s ALA 385 Ca 0.70 -2.18 0.04 0.00 0.00 0.00 0.00 51.96 50.52 1xsj s ALA 385 Cb -0.50 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1xsj s ALA 385 CO 0.40 -0.00 -0.21 0.42 0.00 0.00 0.00 175.76 176.37 1xsj s ILE 386 N -2.66 2.42 0.06 0.00 1.01 -1.26 -1.15 121.20 119.62 1xsj s ILE 386 Ca 0.33 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 1xsj s ILE 386 Cb 0.05 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.52 1xsj s ILE 386 CO 0.17 0.56 1.52 -0.31 0.00 0.00 0.00 174.94 176.89 1xsj s TYR 387 N -0.10 2.76 -0.90 3.97 1.51 -0.65 -0.47 117.35 123.47 1xsj s TYR 387 Ca -0.04 0.61 -0.22 0.00 -1.01 0.00 0.00 57.07 56.41 1xsj s TYR 387 Cb -0.14 -3.82 0.08 0.00 -0.11 0.00 0.00 41.96 37.97 1xsj s TYR 387 CO 0.04 -3.13 1.23 0.34 -1.11 0.00 0.00 175.55 172.91 1xsj s ASP 388 N 1.90 6.47 0.00 2.29 -1.08 -0.54 -4.74 116.67 120.97 1xsj s ASP 388 Ca 0.69 -1.52 0.12 0.00 -0.52 0.00 0.00 52.55 51.32 1xsj s ASP 388 Cb -0.37 -2.48 0.72 0.00 -1.46 0.00 0.00 42.92 39.33 1xsj s ASP 388 CO 0.30 -1.35 1.31 0.49 0.52 0.00 0.00 175.17 176.44 1xsj n PHE 389 N 7.81 0.00 1.37 -5.34 0.99 -1.26 -1.47 117.46 119.57 1xsj n PHE 389 Ca 0.21 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.79 1xsj n PHE 389 Cb 0.49 0.00 0.45 0.00 -1.00 0.00 0.00 39.48 39.42 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 -0.73 0.00 -3.29 4.37 -2.24 -1.26 -4.73 114.28 106.39 1xsj n THR 390 Ca 0.09 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1xsj n THR 390 Cb 0.04 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.26 6.24 0.31 3.42 3.84 -0.54 -4.29 114.94 121.67 1xsj s ASN 391 Ca 0.31 -0.35 0.03 0.00 0.21 0.00 0.00 52.86 53.06 1xsj s ASN 391 Cb 0.20 -2.24 0.60 0.00 -0.55 0.00 0.00 41.25 39.26 1xsj s ASN 391 CO 0.43 -0.52 1.89 -0.65 -2.79 0.00 0.00 177.10 175.46 1xsj h PRO 392 N 8.61 0.92 -0.16 0.43 0.11 -1.86 -1.28 132.00 138.76 1xsj h PRO 392 Ca -0.28 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 1xsj h PRO 392 Cb 1.12 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1xsj h PRO 392 CO 0.77 0.61 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.47 1xsj h ASP 393 N 0.95 0.30 -0.46 -2.05 3.32 -1.94 -2.20 116.42 114.33 1xsj h ASP 393 Ca 0.42 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 1xsj h ASP 393 Cb 0.36 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1xsj h ASP 393 CO -0.18 0.57 0.08 0.00 -1.72 0.00 0.00 179.24 177.98 1xsj h ALA 394 N 1.46 0.61 -0.19 3.45 0.00 -1.52 -1.24 119.26 121.83 1xsj h ALA 394 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xsj h ALA 394 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xsj h ALA 394 CO 0.04 0.33 0.12 0.00 0.00 0.00 0.00 179.25 179.75 1xsj h LYS 396 N 0.25 0.13 -0.18 0.00 3.64 -1.35 0.34 116.57 119.40 1xsj h LYS 396 Ca 0.07 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1xsj h LYS 396 Cb -0.02 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1xsj h LYS 396 CO -0.03 0.09 -0.06 2.35 -2.27 0.00 0.00 179.45 179.53 1xsj h TRP 397 N 0.13 -0.13 0.31 1.91 7.01 -0.75 0.04 115.95 124.47 1xsj h TRP 397 Ca 0.15 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1xsj h TRP 397 Cb 0.19 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1xsj h TRP 397 CO -0.20 -0.10 -0.15 -0.92 -2.79 0.00 0.00 178.44 174.28 1xsj h TYR 398 N -0.02 -0.38 -0.92 2.65 3.20 -0.68 -2.67 116.97 118.14 1xsj h TYR 398 Ca 0.09 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.15 1xsj h TYR 398 Cb 0.16 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 1xsj h TYR 398 CO -0.22 -0.23 0.60 0.00 -1.64 0.00 0.00 178.16 176.68 1xsj h ALA 399 N 0.27 2.10 0.01 1.82 0.00 -0.11 -2.23 119.26 121.12 1xsj h ALA 399 Ca -0.04 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1xsj h ALA 399 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xsj h ALA 399 CO 0.07 -0.40 -0.90 -0.44 0.00 0.00 0.00 179.25 177.59 1xsj h ASP 400 N 0.48 0.11 -0.53 0.00 3.32 -0.70 -0.85 116.42 118.26 1xsj h ASP 400 Ca 0.49 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 1xsj h ASP 400 Cb 1.10 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1xsj h ASP 400 CO -0.21 0.95 0.23 0.11 -1.72 0.00 0.00 179.24 178.60 1xsj h LYS 401 N 0.04 0.77 -0.82 3.56 1.79 -1.12 -2.06 116.57 118.74 1xsj h LYS 401 Ca -0.03 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1xsj h LYS 401 Cb 1.56 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 32.03 1xsj h LYS 401 CO 0.13 0.66 0.43 -0.07 -1.08 0.00 0.00 179.45 179.51 1xsj h LEU 402 N 0.71 1.04 -1.23 2.94 3.38 -1.08 -2.75 115.31 118.31 1xsj h LEU 402 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xsj h LEU 402 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1xsj h LEU 402 CO -0.02 0.85 0.32 0.11 0.09 0.00 0.00 178.44 179.80 1xsj h LYS 403 N 1.15 0.85 -0.28 1.13 1.57 -1.00 -1.46 116.57 118.53 1xsj h LYS 403 Ca 0.29 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1xsj h LYS 403 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1xsj h LYS 403 CO -0.04 0.64 0.05 0.78 -0.57 0.00 0.00 179.45 180.31 1xsj h GLY 404 N 0.93 0.43 0.87 3.86 0.00 -1.11 -0.36 103.07 107.69 1xsj h GLY 404 Ca 0.22 -0.21 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 1xsj h GLY 404 CO -0.03 0.20 -0.59 1.41 0.00 0.00 0.00 176.54 177.53 1xsj h LEU 405 N 0.39 0.61 -1.23 3.11 3.38 -1.02 -2.69 115.31 117.86 1xsj h LEU 405 Ca 0.09 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.45 1xsj h LEU 405 Cb 0.18 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1xsj h LEU 405 CO -0.00 1.22 0.56 0.58 0.09 0.00 0.00 178.44 180.88 1xsj h VAL 406 N 0.06 1.00 0.00 1.22 2.07 -1.09 -1.56 116.25 117.96 1xsj h VAL 406 Ca -0.06 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1xsj h VAL 406 Cb 1.26 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1xsj h VAL 406 CO 0.12 0.16 -0.33 0.00 0.02 0.00 0.00 177.57 177.54 1xsj h ALA 407 N 1.56 0.98 0.00 1.67 0.00 -1.01 0.10 119.26 122.56 1xsj h ALA 407 Ca 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xsj h ALA 407 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xsj h ALA 407 CO -0.15 0.42 0.00 -0.12 0.00 0.00 0.00 179.25 179.40 1xsj n MET 408 N -3.46 0.07 0.00 0.00 0.00 -0.87 -4.92 117.12 107.93 1xsj n MET 408 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1xsj n MET 408 Cb 0.50 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 0.64 1.01 3.73 -5.12 0.00 0.35 -4.70 105.19 101.11 1xsj n GLY 409 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.02 -0.11 1.61 1.01 -0.64 -4.73 120.40 118.56 1xsj s VAL 410 Ca 0.00 0.80 0.16 0.00 0.00 0.00 0.00 61.98 62.94 1xsj s VAL 410 Cb 0.00 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 1xsj s VAL 410 CO 0.00 0.10 0.68 0.47 0.00 0.00 0.00 175.10 176.35 1xsj n ASP 411 N 3.01 0.71 -3.80 3.32 8.00 0.39 -4.27 116.55 123.91 1xsj n ASP 411 Ca 0.08 0.32 -0.08 0.00 0.71 0.00 0.00 54.79 55.83 1xsj n ASP 411 Cb 0.41 0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 41.80 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 -3.90 1.27 -0.55 0.00 0.40 -1.25 -2.62 117.98 111.34 1xsj s PHE 413 Ca 0.10 -0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 55.93 1xsj s PHE 413 Cb -0.05 -0.84 0.05 0.00 0.51 0.00 0.00 43.02 42.69 1xsj s PHE 413 CO 0.04 -0.05 0.89 0.21 0.70 0.00 0.00 175.22 177.01 1xsj s LYS 414 N -0.20 3.29 -0.97 0.44 2.20 -0.29 -1.65 119.74 122.56 1xsj s LYS 414 Ca 0.03 -0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 55.08 1xsj s LYS 414 Cb -0.07 -4.07 0.14 0.00 -1.51 0.00 0.00 37.83 32.33 1xsj s LYS 414 CO -0.00 -1.46 1.16 0.95 -0.36 0.00 0.00 175.35 175.65 1xsj s THR 415 N 3.74 4.81 0.68 3.43 -4.23 -0.17 -2.04 115.64 121.87 1xsj s THR 415 Ca 0.28 -1.79 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1xsj s THR 415 Cb -0.14 -4.79 0.00 0.00 1.34 0.00 0.00 72.50 68.92 1xsj s THR 415 CO 0.18 -1.51 1.07 -0.62 -0.54 0.00 0.00 174.62 173.20 1xsj s ASP 416 N 3.44 5.61 0.88 3.99 -1.08 -0.79 -2.24 116.67 126.49 1xsj s ASP 416 Ca 0.34 1.16 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 1xsj s ASP 416 Cb -0.05 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1xsj s ASP 416 CO -0.08 -1.22 0.00 0.49 0.52 0.00 0.00 175.17 174.88 1xsj n PHE 417 N -2.92 -0.19 -0.25 -5.34 3.01 -1.26 -4.38 117.46 106.13 1xsj n PHE 417 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1xsj n PHE 417 Cb 0.57 0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 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 0.68 0.12 1.37 0.00 -1.26 -3.88 105.19 102.23 1xsj n GLY 418 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1xsj n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xsj n GLU 419 N -2.06 0.64 -1.90 1.61 0.00 -1.26 -4.27 120.64 113.40 1xsj n GLU 419 Ca 0.00 0.40 -0.42 0.00 0.00 0.00 0.00 57.16 57.15 1xsj n GLU 419 Cb 0.00 -1.69 -0.00 0.00 0.00 0.00 0.00 31.44 29.75 1xsj n GLU 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xsj n ARG 420 N -4.00 3.23 -3.41 3.44 1.74 -1.26 -4.60 116.66 111.81 1xsj n ARG 420 Ca -0.35 -2.90 -0.39 0.00 -0.77 0.00 0.00 57.85 53.43 1xsj n ARG 420 Cb 0.86 -3.11 -0.09 0.00 -1.02 0.00 0.00 32.46 29.09 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 2.04 5.19 0.61 0.55 -1.09 -1.26 -5.05 121.20 122.17 1xsj s ILE 421 Ca 0.46 0.55 -0.15 0.00 -2.23 0.00 0.00 60.65 59.28 1xsj s ILE 421 Cb 0.13 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1xsj s ILE 421 CO -0.06 0.17 1.06 -2.16 -1.23 0.00 0.00 174.94 172.72 1xsj s PRO 422 N 2.01 3.27 0.00 2.79 0.04 -1.26 -4.79 135.00 137.05 1xsj s PRO 422 Ca 0.15 1.18 0.15 0.00 0.04 0.00 0.00 61.00 62.52 1xsj s PRO 422 Cb -0.16 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1xsj s PRO 422 CO 0.10 -0.85 0.76 0.25 0.04 0.00 0.00 177.00 177.30 1xsj n THR 423 N -2.15 0.00 -1.87 1.26 -2.24 -1.26 -4.66 114.28 103.36 1xsj n THR 423 Ca 0.09 -0.29 -0.38 0.00 -2.27 0.00 0.00 64.05 61.19 1xsj n THR 423 Cb 0.53 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 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 -0.49 7.96 -3.81 3.42 3.85 -1.26 -4.83 116.55 121.40 1xsj n ASP 424 Ca 0.05 -3.08 -0.13 0.00 -0.71 0.00 0.00 54.79 50.92 1xsj n ASP 424 Cb 0.29 -1.37 -0.07 0.00 -1.35 0.00 0.00 41.12 38.62 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 -0.90 0.00 -0.14 2.12 -7.23 -1.26 -4.57 120.40 108.43 1xsj s VAL 425 Ca 0.56 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1xsj s VAL 425 Cb 0.20 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.72 1xsj s VAL 425 CO -0.10 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.09 1xsj s GLN 426 N -3.77 0.97 0.37 4.82 0.74 0.07 -4.70 119.66 118.16 1xsj s GLN 426 Ca 0.34 -0.25 -0.25 0.00 0.05 0.00 0.00 55.36 55.25 1xsj s GLN 426 Cb 0.03 -1.64 -0.09 0.00 1.10 0.00 0.00 33.01 32.41 1xsj s GLN 426 CO 0.16 -0.42 1.03 -1.58 -0.55 0.00 0.00 175.29 173.93 1xsj s TRP 427 N 1.81 3.39 0.30 1.67 0.52 -1.26 -4.07 118.94 121.30 1xsj s TRP 427 Ca 0.02 1.68 0.04 0.00 0.02 0.00 0.00 56.10 57.86 1xsj s TRP 427 Cb -0.14 -3.10 0.76 0.00 -1.15 0.00 0.00 33.47 29.84 1xsj s TRP 427 CO -0.07 -0.44 1.68 0.35 0.02 0.00 0.00 176.95 178.48 1xsj h PHE 428 N 2.79 0.58 -0.24 -1.98 3.57 -1.93 0.24 116.94 119.97 1xsj h PHE 428 Ca -0.48 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xsj h PHE 428 Cb 1.21 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1xsj h PHE 428 CO 0.59 -0.12 0.00 -0.40 -2.23 0.00 0.00 178.31 176.15 1xsj n ASP 429 N -5.11 1.67 -1.02 0.41 5.75 -1.26 -4.91 116.55 112.08 1xsj n ASP 429 Ca 0.23 -1.84 -0.12 0.00 -0.01 0.00 0.00 54.79 53.05 1xsj n ASP 429 Cb 0.70 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.59 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 1.07 0.93 3.58 6.12 0.00 0.07 -4.99 105.19 111.97 1xsj n GLY 430 Ca 0.14 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.56 -4.60 1.61 7.64 -1.26 -4.92 113.62 112.65 1xsj n SER 431 Ca -0.12 0.87 -0.43 0.00 1.01 0.00 0.00 58.87 60.20 1xsj n SER 431 Cb 0.44 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.28 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 -1.05 5.45 0.55 6.43 -1.08 -0.06 -4.65 116.67 122.26 1xsj s ASP 432 Ca 0.70 1.77 0.24 0.00 -0.52 0.00 0.00 52.55 54.74 1xsj s ASP 432 Cb -0.47 -2.51 1.46 0.00 -1.46 0.00 0.00 42.92 39.93 1xsj s ASP 432 CO 0.52 -1.98 2.07 -0.65 0.52 0.00 0.00 175.17 175.65 1xsj h PRO 433 N 15.05 0.00 0.00 4.34 0.11 -1.88 0.54 132.00 150.16 1xsj h PRO 433 Ca -0.39 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.62 1xsj h PRO 433 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1xsj h PRO 433 CO 0.98 0.00 -0.47 1.96 -0.21 0.00 0.00 178.00 180.26 1xsj h GLN 434 N 0.00 0.00 0.04 1.05 1.08 -1.89 -2.65 115.11 112.73 1xsj h GLN 434 Ca 0.13 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.04 1xsj h GLN 434 Cb 0.57 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 1xsj h GLN 434 CO -0.00 0.47 -1.62 0.87 -0.95 0.00 0.00 178.83 177.60 1xsj h LYS 435 N 0.00 0.08 0.00 1.46 1.57 -1.25 -3.33 116.57 115.10 1xsj h LYS 435 Ca -0.00 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1xsj h LYS 435 Cb 0.84 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1xsj h LYS 435 CO 0.06 0.76 -0.18 0.52 -0.57 0.00 0.00 179.45 180.04 1xsj h MET 436 N 0.02 0.00 -0.22 3.15 2.86 -1.07 -3.05 114.93 116.62 1xsj h MET 436 Ca -0.26 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1xsj h MET 436 Cb 1.98 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.59 1xsj h MET 436 CO 0.10 0.18 -0.12 1.25 1.06 0.00 0.00 176.91 179.38 1xsj h HIS 437 N 0.00 -0.30 0.21 -0.22 -0.00 -1.59 0.11 115.15 113.37 1xsj h HIS 437 Ca -0.00 0.03 -0.32 0.00 -0.00 0.00 0.00 60.37 60.08 1xsj h HIS 437 Cb 0.47 0.17 0.03 0.00 -0.00 0.00 0.00 27.41 28.07 1xsj h HIS 437 CO 0.00 -0.19 -1.46 -0.91 -0.00 0.00 0.00 177.93 175.38 1xsj h ASN 438 N -0.10 0.70 0.64 3.26 2.35 -1.76 -3.36 115.58 117.31 1xsj h ASN 438 Ca 0.12 -0.93 -0.04 0.00 -0.55 0.00 0.00 56.30 54.91 1xsj h ASN 438 Cb 0.29 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1xsj h ASN 438 CO -0.29 1.69 -0.19 -0.74 -1.65 0.00 0.00 177.43 176.24 1xsj h HIS 439 N 0.03 0.00 -1.01 1.19 2.76 -1.45 -2.29 115.15 114.38 1xsj h HIS 439 Ca -0.27 0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.15 1xsj h HIS 439 Cb 2.05 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.89 1xsj h HIS 439 CO 0.13 0.19 0.60 -0.92 -1.30 0.00 0.00 177.93 176.63 1xsj h TYR 440 N 0.00 1.01 -0.33 5.26 3.20 -0.93 0.37 116.97 125.54 1xsj h TYR 440 Ca -0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1xsj h TYR 440 Cb 0.57 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1xsj h TYR 440 CO 0.00 0.06 0.06 0.00 -1.64 0.00 0.00 178.16 176.64 1xsj h ALA 441 N 1.73 1.49 -0.05 1.82 0.00 -1.59 -1.50 119.26 121.17 1xsj h ALA 441 Ca 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1xsj h ALA 441 Cb 1.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xsj h ALA 441 CO -0.48 0.37 -0.04 -0.92 0.00 0.00 0.00 179.25 178.18 1xsj h TYR 442 N 0.48 0.13 -0.65 0.00 3.20 -1.10 -2.53 116.97 116.50 1xsj h TYR 442 Ca 0.11 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1xsj h TYR 442 Cb 0.21 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1xsj h TYR 442 CO 0.01 0.56 0.25 0.82 -1.64 0.00 0.00 178.16 178.16 1xsj h ILE 443 N -0.33 1.23 0.34 1.81 1.08 -1.06 -0.62 117.51 119.96 1xsj h ILE 443 Ca 0.01 -0.73 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1xsj h ILE 443 Cb 0.54 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1xsj h ILE 443 CO 0.01 0.29 -0.16 0.22 -0.69 0.00 0.00 178.15 177.82 1xsj h TYR 444 N 0.94 -0.42 -0.63 1.37 -0.00 -1.34 -1.66 116.97 115.23 1xsj h TYR 444 Ca 0.22 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 58.90 1xsj h TYR 444 Cb 0.19 0.14 -0.03 0.00 -0.00 0.00 0.00 36.73 37.03 1xsj h TYR 444 CO 0.01 -0.09 0.22 -0.91 -0.00 0.00 0.00 178.16 177.39 1xsj h ASN 445 N -0.79 0.86 -0.64 -2.11 2.35 -1.37 -2.43 115.58 111.45 1xsj h ASN 445 Ca -0.05 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1xsj h ASN 445 Cb 0.52 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1xsj h ASN 445 CO 0.08 0.79 0.38 -0.08 -1.65 0.00 0.00 177.43 176.95 1xsj h GLU 446 N 0.91 0.87 -0.35 0.81 4.81 -1.11 0.13 114.58 120.65 1xsj h GLU 446 Ca 0.21 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1xsj h GLU 446 Cb 0.22 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1xsj h GLU 446 CO -0.01 0.62 0.23 1.25 -0.73 0.00 0.00 179.01 180.37 1xsj h LEU 447 N 0.86 0.41 -0.21 1.64 6.46 -1.09 -0.52 115.31 122.86 1xsj h LEU 447 Ca 0.23 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1xsj h LEU 447 Cb -0.02 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1xsj h LEU 447 CO -0.04 0.31 -0.06 0.58 -0.62 0.00 0.00 178.44 178.60 1xsj h VAL 448 N 0.47 1.29 -0.73 1.05 2.07 -1.15 -2.20 116.25 117.05 1xsj h VAL 448 Ca 0.13 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.67 1xsj h VAL 448 Cb -0.04 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1xsj h VAL 448 CO -0.03 0.32 0.39 -0.25 0.02 0.00 0.00 177.57 178.03 1xsj h TRP 449 N 0.12 0.71 -0.06 1.57 2.91 -0.92 -2.25 115.95 118.03 1xsj h TRP 449 Ca 0.05 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.01 1xsj h TRP 449 Cb 0.52 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 1xsj h TRP 449 CO 0.05 0.29 -0.38 -0.91 -1.03 0.00 0.00 178.44 176.47 1xsj h ASN 450 N 0.68 0.13 -0.04 2.65 2.35 -0.89 -0.06 115.58 120.40 1xsj h ASN 450 Ca 0.35 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 56.07 1xsj h ASN 450 Cb 0.31 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1xsj h ASN 450 CO -0.24 0.50 -0.09 0.58 -1.65 0.00 0.00 177.43 176.53 1xsj h VAL 451 N 0.11 0.76 -0.29 2.81 2.07 -0.95 -0.93 116.25 119.82 1xsj h VAL 451 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1xsj h VAL 451 Cb 0.72 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1xsj h VAL 451 CO 0.05 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.73 1xsj h LEU 452 N -0.14 0.37 -0.82 2.57 4.07 -0.90 -1.09 115.31 119.37 1xsj h LEU 452 Ca 0.05 -0.10 0.09 0.00 0.08 0.00 0.00 57.88 58.00 1xsj h LEU 452 Cb 0.21 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.78 1xsj h LEU 452 CO -0.13 0.36 0.48 0.50 -1.08 0.00 0.00 178.44 178.58 1xsj h LYS 453 N 0.34 0.80 0.00 1.13 3.64 -0.97 0.18 116.57 121.69 1xsj h LYS 453 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xsj h LYS 453 Cb 0.08 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1xsj h LYS 453 CO -0.02 0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 177.44 1xsj n ASP 454 N -4.72 0.17 0.01 4.20 8.00 -0.36 -2.86 116.55 120.98 1xsj n ASP 454 Ca 0.13 0.52 -0.02 0.00 0.71 0.00 0.00 54.79 56.13 1xsj n ASP 454 Cb 0.25 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 1xsj n ASP 454 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xsj n THR 455 N -1.67 0.76 0.73 -3.53 -2.24 -0.46 -4.78 114.28 103.08 1xsj n THR 455 Ca 0.05 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.13 1xsj n THR 455 Cb 0.29 -1.62 0.23 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.40 0.23 0.00 2.28 0.24 0.51 -5.07 118.33 113.12 1xsj n VAL 456 Ca -0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1xsj n VAL 456 Cb 0.29 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 1.40 0.76 0.36 7.63 0.00 -1.03 -4.48 105.19 109.83 1xsj n GLY 457 Ca 0.04 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.42 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 1.06 0.00 1.61 4.81 -1.83 -1.63 114.58 118.60 1xsj h GLU 458 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xsj h GLU 458 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1xsj h GLU 458 CO 0.00 0.70 0.00 1.05 -0.73 0.00 0.00 179.01 180.03 1xsj h GLU 459 N 1.09 0.00 -0.02 1.92 -0.00 -1.91 -2.58 114.58 113.08 1xsj h GLU 459 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.69 1xsj h GLU 459 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.73 1xsj h GLU 459 CO -0.09 0.00 -0.17 0.39 -0.00 0.00 0.00 179.01 179.14 1xsj n GLU 460 N -2.59 1.81 -2.44 1.06 -0.58 -0.63 -3.73 120.64 113.54 1xsj n GLU 460 Ca 0.03 -1.50 -0.42 0.00 -0.42 0.00 0.00 57.16 54.85 1xsj n GLU 460 Cb 0.33 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 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 -2.04 3.39 -0.07 0.62 0.00 -0.97 -4.82 121.76 117.87 1xsj s ALA 461 Ca 0.23 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 1xsj s ALA 461 Cb 0.18 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.95 1xsj s ALA 461 CO 0.37 -0.36 0.64 0.54 0.00 0.00 0.00 175.76 176.96 1xsj s VAL 462 N 0.47 0.01 0.30 0.00 0.11 -1.26 -4.47 120.40 115.55 1xsj s VAL 462 Ca 0.55 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.60 1xsj s VAL 462 Cb -0.30 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 33.54 1xsj s VAL 462 CO 0.32 -0.03 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.30 1xsj s LEU 463 N -1.04 2.39 -0.33 2.54 1.43 -0.92 -3.75 118.68 119.00 1xsj s LEU 463 Ca -0.10 -1.27 0.03 0.00 -1.03 0.00 0.00 54.13 51.76 1xsj s LEU 463 Cb -0.01 -0.54 0.10 0.00 0.03 0.00 0.00 46.19 45.76 1xsj s LEU 463 CO 0.08 -0.45 0.06 0.12 0.23 0.00 0.00 176.35 176.39 1xsj s PHE 464 N -3.11 3.25 -0.12 0.29 5.36 -0.66 -4.01 117.98 118.98 1xsj s PHE 464 Ca 0.32 -2.67 -0.03 0.00 -0.96 0.00 0.00 56.93 53.59 1xsj s PHE 464 Cb 0.06 -2.60 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 1xsj s PHE 464 CO 0.13 -0.93 0.01 0.00 -1.46 0.00 0.00 175.22 172.97 1xsj s ALA 465 N 1.08 3.26 -0.12 11.12 0.00 0.31 -1.00 121.76 136.42 1xsj s ALA 465 Ca 0.10 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1xsj s ALA 465 Cb -0.19 -1.58 -0.24 0.00 0.00 0.00 0.00 23.12 21.12 1xsj s ALA 465 CO -0.12 0.45 0.36 -2.13 0.00 0.00 0.00 175.76 174.32 1xsj n ARG 466 N 2.65 0.69 -4.19 0.00 0.63 -0.95 -1.88 116.66 113.60 1xsj n ARG 466 Ca -0.18 0.22 -0.25 0.00 -0.92 0.00 0.00 57.85 56.72 1xsj n ARG 466 Cb 0.53 -1.69 -0.08 0.00 0.45 0.00 0.00 32.46 31.67 1xsj n ARG 466 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1xsj s SER 467 N -6.36 4.38 0.22 6.15 1.04 -1.25 -4.46 113.70 113.41 1xsj s SER 467 Ca -0.15 -1.05 -0.23 0.00 0.48 0.00 0.00 55.95 55.00 1xsj s SER 467 Cb 0.07 -0.51 0.04 0.00 0.10 0.00 0.00 66.02 65.73 1xsj s SER 467 CO 0.78 -0.46 0.75 0.00 0.98 0.00 0.00 173.24 175.29 1xsj s ALA 468 N -2.58 -1.41 0.23 5.32 0.00 -1.23 -4.92 121.76 117.19 1xsj s ALA 468 Ca 0.39 0.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 1xsj s ALA 468 Cb 0.03 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.98 1xsj s ALA 468 CO 0.22 -0.97 0.74 0.45 0.00 0.00 0.00 175.76 176.20 1xsj s SER 469 N -2.87 -0.30 0.17 0.00 0.15 -1.26 -3.69 113.70 105.90 1xsj s SER 469 Ca 0.09 -0.46 -0.34 0.00 0.70 0.00 0.00 55.95 55.94 1xsj s SER 469 Cb -0.04 0.67 -0.15 0.00 -1.71 0.00 0.00 66.02 64.79 1xsj s SER 469 CO 0.01 -1.21 1.43 0.52 1.20 0.00 0.00 173.24 175.20 1xsj n VAL 470 N -0.44 0.35 0.00 4.45 0.31 -1.26 -1.36 118.33 120.38 1xsj n VAL 470 Ca -0.07 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1xsj n VAL 470 Cb 0.60 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 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 2.72 3.13 0.00 2.92 0.00 -1.25 -4.67 105.19 108.04 1xsj n GLY 471 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.57 1.68 0.29 4.61 0.00 -0.47 -1.79 120.51 124.27 1xsj n ALA 472 Ca 0.00 -0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.57 1xsj n ALA 472 Cb 0.00 -1.24 0.93 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.90 -1.19 115.11 112.02 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 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1xsj h GLN 473 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 178.83 179.70 1xsj h LYS 474 N 0.00 0.00 -2.28 0.06 1.57 -1.50 -3.32 116.57 111.10 1xsj h LYS 474 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1xsj h LYS 474 Cb 0.12 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.03 1xsj h LYS 474 CO 0.00 0.00 -0.50 1.19 -0.57 0.00 0.00 179.45 179.57 1xsj n PHE 475 N -2.44 3.87 -1.20 -1.35 3.72 -0.45 -3.62 117.46 115.99 1xsj n PHE 475 Ca -0.01 -3.92 -0.32 0.00 -0.05 0.00 0.00 57.45 53.16 1xsj n PHE 475 Cb 0.11 -0.56 0.11 0.00 -0.94 0.00 0.00 39.48 38.19 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 -3.30 1.95 0.00 -1.08 0.04 -1.25 -4.69 135.00 126.67 1xsj s PRO 476 Ca 0.46 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1xsj s PRO 476 Cb 0.24 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1xsj s PRO 476 CO -0.11 -1.91 0.00 0.28 0.04 0.00 0.00 177.00 175.31 1xsj n VAL 477 N -3.43 0.00 -4.63 -0.36 0.31 -1.26 -2.16 118.33 106.80 1xsj n VAL 477 Ca 0.11 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.11 1xsj n VAL 477 Cb 0.52 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.00 2.89 0.14 3.52 3.76 -1.20 -0.53 115.29 123.87 1xsj s HIS 478 Ca 0.00 -0.02 0.11 0.00 -0.15 0.00 0.00 55.06 55.00 1xsj s HIS 478 Cb 0.00 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 1xsj s HIS 478 CO 0.00 0.32 -0.26 1.67 -0.85 0.00 0.00 174.74 175.62 1xsj s TRP 479 N -0.84 2.27 -1.97 1.40 -2.14 -0.79 -0.70 118.94 116.16 1xsj s TRP 479 Ca 0.13 -0.38 0.00 0.00 2.66 0.00 0.00 56.10 58.51 1xsj s TRP 479 Cb -0.11 -1.21 0.00 0.00 -3.10 0.00 0.00 33.47 29.05 1xsj s TRP 479 CO 0.03 0.36 0.64 0.41 -2.66 0.00 0.00 176.95 175.72 1xsj n GLY 480 N 0.81 -0.60 7.00 3.67 0.00 -0.15 -4.67 105.19 111.24 1xsj n GLY 480 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.15 0.02 3.39 -0.02 0.00 -1.26 -4.71 105.19 102.77 1xsj n GLY 481 Ca 0.00 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 1xsj n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsj s ASP 482 N -4.00 6.99 0.74 1.61 1.01 -1.26 -4.64 116.67 117.12 1xsj s ASP 482 Ca 0.00 -2.91 -0.06 0.00 0.71 0.00 0.00 52.55 50.29 1xsj s ASP 482 Cb 0.00 -2.30 0.11 0.00 1.01 0.00 0.00 42.92 41.74 1xsj s ASP 482 CO 0.00 -0.63 1.04 0.00 0.21 0.00 0.00 175.17 175.79 1xsj s TYR 484 N -3.29 3.13 -1.52 0.00 2.02 -1.26 -1.01 117.35 115.42 1xsj s TYR 484 Ca 0.64 0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 57.26 1xsj s TYR 484 Cb -0.08 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1xsj s TYR 484 CO 0.46 0.51 2.52 0.00 -1.57 0.00 0.00 175.55 177.47 1xsj n ALA 485 N 0.37 6.33 -2.84 3.71 0.00 -0.30 -4.37 120.51 123.41 1xsj n ALA 485 Ca -0.09 -3.72 -0.10 0.00 0.00 0.00 0.00 53.44 49.53 1xsj n ALA 485 Cb 0.52 -3.47 -0.07 0.00 0.00 0.00 0.00 19.45 16.43 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 2.81 -0.01 0.23 0.00 2.20 -1.26 -4.39 114.94 114.53 1xsj s ASN 486 Ca 0.56 -0.92 -0.01 0.00 -0.94 0.00 0.00 52.86 51.54 1xsj s ASN 486 Cb 0.16 0.48 0.25 0.00 -2.00 0.00 0.00 41.25 40.14 1xsj s ASN 486 CO -0.08 -0.97 1.64 1.88 -2.94 0.00 0.00 177.10 176.63 1xsj h TYR 487 N 2.44 0.71 -0.83 1.54 0.05 -1.90 -1.75 116.97 117.22 1xsj h TYR 487 Ca -0.30 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.32 1xsj h TYR 487 Cb 1.24 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.77 1xsj h TYR 487 CO 0.39 0.85 0.54 0.93 -1.05 0.00 0.00 178.16 179.82 1xsj h GLU 488 N 0.52 1.06 -0.00 4.88 3.07 -1.94 -0.41 114.58 121.76 1xsj h GLU 488 Ca 0.06 -0.06 -0.20 0.00 -0.50 0.00 0.00 59.36 58.66 1xsj h GLU 488 Cb 0.79 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1xsj h GLU 488 CO 0.06 0.70 -0.88 1.03 -1.40 0.00 0.00 179.01 178.52 1xsj h SER 489 N 1.09 0.34 -0.79 1.42 0.87 -1.78 0.46 113.55 115.16 1xsj h SER 489 Ca 0.32 -0.27 0.10 0.00 -1.23 0.00 0.00 61.79 60.71 1xsj h SER 489 Cb -0.06 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 61.72 1xsj h SER 489 CO -0.09 1.06 0.43 -0.03 -0.53 0.00 0.00 176.83 177.67 1xsj h MET 490 N 0.15 0.70 -0.09 2.24 -1.53 -1.04 0.16 114.93 115.50 1xsj h MET 490 Ca -0.05 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.14 1xsj h MET 490 Cb 1.51 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 32.40 1xsj h MET 490 CO 0.14 0.46 -0.03 0.00 0.14 0.00 0.00 176.91 177.62 1xsj h ALA 491 N 1.45 0.13 -0.57 0.39 0.00 -0.77 -2.11 119.26 117.78 1xsj h ALA 491 Ca 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xsj h ALA 491 Cb 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1xsj h ALA 491 CO -0.26 -0.12 0.37 1.05 0.00 0.00 0.00 179.25 180.28 1xsj h GLU 492 N -0.16 0.76 -0.06 0.00 4.11 -0.77 -1.22 114.58 117.24 1xsj h GLU 492 Ca 0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1xsj h GLU 492 Cb 0.46 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xsj h GLU 492 CO 0.01 0.51 0.02 0.77 0.07 0.00 0.00 179.01 180.40 1xsj h SER 493 N 0.78 0.08 -0.74 3.06 0.02 -0.87 -2.03 113.55 113.86 1xsj h SER 493 Ca 0.21 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 1xsj h SER 493 Cb -0.07 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.36 1xsj h SER 493 CO -0.04 0.23 0.33 0.25 -1.14 0.00 0.00 176.83 176.46 1xsj h LEU 494 N -0.07 0.37 -0.94 5.07 5.85 -0.85 0.34 115.31 125.09 1xsj h LEU 494 Ca 0.02 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1xsj h LEU 494 Cb 0.18 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1xsj h LEU 494 CO -0.00 0.18 0.60 0.03 -0.34 0.00 0.00 178.44 178.91 1xsj h ARG 495 N 0.52 1.08 -0.08 1.25 3.08 -0.76 -0.45 114.38 119.01 1xsj h ARG 495 Ca 0.39 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1xsj h ARG 495 Cb 0.51 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1xsj h ARG 495 CO -0.34 0.71 0.05 0.78 -1.07 0.00 0.00 179.97 180.10 1xsj h GLY 496 N 1.11 0.12 0.95 0.04 0.00 -0.48 -1.28 103.07 103.53 1xsj h GLY 496 Ca 0.40 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1xsj h GLY 496 CO -0.16 0.05 0.45 -1.33 0.00 0.00 0.00 176.54 175.54 1xsj h GLY 497 N 0.09 0.99 0.94 4.60 0.00 -0.35 -0.31 103.07 109.04 1xsj h GLY 497 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1xsj h GLY 497 CO -0.01 0.32 0.16 1.41 0.00 0.00 0.00 176.54 178.42 1xsj h LEU 498 N 0.90 0.55 -0.95 3.11 3.38 -1.00 -2.92 115.31 118.38 1xsj h LEU 498 Ca 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xsj h LEU 498 Cb -0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1xsj h LEU 498 CO -0.08 0.57 0.56 0.28 0.09 0.00 0.00 178.44 179.86 1xsj h SER 499 N 0.50 1.14 0.46 -0.43 0.02 -0.76 -2.01 113.55 112.48 1xsj h SER 499 Ca 0.13 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1xsj h SER 499 Cb 0.19 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1xsj h SER 499 CO -0.01 0.88 -0.34 -0.29 -1.14 0.00 0.00 176.83 175.93 1xsj h ILE 500 N 1.30 1.10 -0.21 3.27 2.10 -0.90 -2.63 117.51 121.55 1xsj h ILE 500 Ca 0.34 -1.23 -0.20 0.00 1.08 0.00 0.00 64.86 64.84 1xsj h ILE 500 Cb -0.04 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1xsj h ILE 500 CO -0.06 0.33 -0.67 1.23 -1.08 0.00 0.00 178.15 177.91 1xsj h GLY 501 N 1.26 0.88 0.90 8.18 0.00 -1.24 -1.78 103.07 111.26 1xsj h GLY 501 Ca -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.20 1xsj h GLY 501 CO 0.04 1.01 0.00 1.04 0.00 0.00 0.00 176.54 178.63 1xsj n LEU 502 N -3.96 0.00 -0.01 3.11 4.77 -0.81 -2.94 117.00 117.16 1xsj n LEU 502 Ca -0.06 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.94 1xsj n LEU 502 Cb 0.69 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1xsj n LEU 502 CO 0.51 0.00 0.51 -1.20 -1.33 0.00 0.00 177.39 175.89 1xsj n SER 503 N -0.95 2.06 0.00 -1.43 7.64 -0.90 -4.55 113.62 115.50 1xsj n SER 503 Ca 0.11 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.79 1xsj n SER 503 Cb 0.05 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.67 0.86 3.71 0.23 0.00 -1.15 -4.93 105.19 103.24 1xsj n GLY 504 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 3.40 -0.22 1.61 0.08 -0.72 -4.67 117.98 115.46 1xsj s PHE 505 Ca 0.00 0.37 0.20 0.00 0.12 0.00 0.00 56.93 57.62 1xsj s PHE 505 Cb 0.00 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 1xsj s PHE 505 CO 0.00 0.22 1.13 0.78 -0.10 0.00 0.00 175.22 177.25 1xsj h GLY 506 N 6.88 0.00 -5.97 4.36 0.00 -1.87 -3.33 103.07 103.15 1xsj h GLY 506 Ca -0.40 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.68 1xsj h GLY 506 CO 0.74 0.00 -0.69 -1.36 0.00 0.00 0.00 176.54 175.22 1xsj s PHE 507 N -3.14 -0.02 -0.18 5.60 0.08 -1.26 -1.91 117.98 117.15 1xsj s PHE 507 Ca 0.01 0.14 -0.16 0.00 0.12 0.00 0.00 56.93 57.04 1xsj s PHE 507 Cb 0.08 -0.09 0.05 0.00 -0.57 0.00 0.00 43.02 42.49 1xsj s PHE 507 CO 0.77 -0.06 0.47 -0.46 -0.10 0.00 0.00 175.22 175.84 1xsj s TRP 508 N 0.53 -0.53 0.43 0.36 -0.00 -1.26 -3.23 118.94 115.24 1xsj s TRP 508 Ca -0.04 1.28 0.03 0.00 -0.00 0.00 0.00 56.10 57.37 1xsj s TRP 508 Cb -0.06 0.19 -0.02 0.00 -0.00 0.00 0.00 33.47 33.58 1xsj s TRP 508 CO -0.02 -0.26 0.09 0.45 -0.00 0.00 0.00 176.95 177.21 1xsj s SER 509 N 0.38 3.11 0.07 5.86 0.15 0.12 -3.06 113.70 120.34 1xsj s SER 509 Ca -0.01 -1.65 -0.26 0.00 0.70 0.00 0.00 55.95 54.73 1xsj s SER 509 Cb -0.04 0.47 0.08 0.00 -1.71 0.00 0.00 66.02 64.82 1xsj s SER 509 CO -0.01 -0.89 0.71 -1.38 1.20 0.00 0.00 173.24 172.87 1xsj s HIS 510 N -3.12 -0.49 -0.48 3.44 -3.43 -1.26 -0.98 115.29 108.97 1xsj s HIS 510 Ca 0.20 0.41 -0.29 0.00 -0.80 0.00 0.00 55.06 54.58 1xsj s HIS 510 Cb 0.03 0.53 0.03 0.00 -1.43 0.00 0.00 32.58 31.74 1xsj s HIS 510 CO 0.12 -0.71 1.17 -0.51 -2.00 0.00 0.00 174.74 172.80 1xsj s ASP 511 N -2.41 6.59 0.07 7.38 -0.00 -1.26 -4.24 116.67 122.80 1xsj s ASP 511 Ca 0.01 0.47 -0.31 0.00 -0.00 0.00 0.00 52.55 52.72 1xsj s ASP 511 Cb -0.01 -2.55 -0.08 0.00 -0.00 0.00 0.00 42.92 40.28 1xsj s ASP 511 CO -0.08 -1.29 1.64 -0.63 -0.00 0.00 0.00 175.17 174.81 1xsj s ILE 512 N 4.58 3.05 0.00 0.77 1.01 0.06 -1.02 121.20 129.65 1xsj s ILE 512 Ca 0.49 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1xsj s ILE 512 Cb -0.08 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1xsj s ILE 512 CO 0.32 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1xsj n GLY 513 N 3.97 0.56 0.00 6.18 0.00 -1.26 -4.09 105.19 110.55 1xsj n GLY 513 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.23 0.13 -0.02 0.00 -0.19 -4.31 105.19 98.57 1xsj n GLY 514 Ca 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.22 -3.21 1.61 3.04 -1.62 -3.42 116.94 113.12 1xsj h PHE 515 Ca 0.00 -0.01 -0.59 0.00 3.98 0.00 0.00 57.97 61.36 1xsj h PHE 515 Cb 0.00 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.52 1xsj h PHE 515 CO 0.00 -0.14 -0.13 -2.00 -2.02 0.00 0.00 178.31 174.02 1xsj s GLU 516 N -2.30 4.17 0.00 1.11 2.56 -0.18 -0.25 118.70 123.81 1xsj s GLU 516 Ca -0.03 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.44 1xsj s GLU 516 Cb 0.00 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.81 1xsj s GLU 516 CO 0.10 0.44 0.00 0.09 -0.56 0.00 0.00 175.26 175.33 1xsj n ASN 517 N 2.64 0.00 -4.53 -1.70 5.03 -1.26 -1.15 115.26 114.29 1xsj n ASN 517 Ca -0.10 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 54.96 1xsj n ASN 517 Cb 0.52 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.17 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 -2.95 5.16 0.41 3.41 2.01 -1.26 -4.55 115.64 117.87 1xsj s THR 518 Ca 0.00 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.58 1xsj s THR 518 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 1xsj s THR 518 CO 0.00 0.08 1.44 0.00 -0.69 0.00 0.00 174.62 175.44 1xsj s ALA 519 N 1.71 3.39 0.76 7.40 0.00 -1.26 -5.00 121.76 128.76 1xsj s ALA 519 Ca 0.06 1.49 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 1xsj s ALA 519 Cb -0.17 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.38 1xsj s ALA 519 CO 0.10 -1.09 0.91 -2.30 0.00 0.00 0.00 175.76 173.37 1xsj n PRO 520 N 0.13 0.34 -0.21 0.00 -0.02 -1.26 -4.77 135.00 129.21 1xsj n PRO 520 Ca 0.03 0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.76 1xsj n PRO 520 Cb 0.41 -2.18 0.35 0.00 -0.02 0.00 0.00 33.50 32.06 1xsj n PRO 520 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsj h ALA 521 N -0.51 1.72 -0.89 3.55 0.00 -1.95 -2.33 119.26 118.86 1xsj h ALA 521 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1xsj h ALA 521 Cb 1.32 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1xsj h ALA 521 CO 0.45 0.14 0.49 1.12 0.00 0.00 0.00 179.25 181.45 1xsj h HIS 522 N 0.76 1.21 -0.32 0.00 2.07 -1.98 -1.31 115.15 115.60 1xsj h HIS 522 Ca 0.35 -0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 57.80 1xsj h HIS 522 Cb 0.35 -0.39 -0.01 0.00 2.57 0.00 0.00 27.41 29.93 1xsj h HIS 522 CO -0.00 0.84 0.05 0.28 -3.07 0.00 0.00 177.93 176.03 1xsj h VAL 523 N 1.24 1.23 -0.31 6.12 2.07 -1.78 -1.62 116.25 123.20 1xsj h VAL 523 Ca 0.31 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1xsj h VAL 523 Cb 0.02 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1xsj h VAL 523 CO -0.05 0.27 0.12 0.22 0.02 0.00 0.00 177.57 178.14 1xsj h TYR 524 N 0.36 0.21 -0.19 1.57 3.20 -1.19 -0.41 116.97 120.52 1xsj h TYR 524 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1xsj h TYR 524 Cb 0.34 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1xsj h TYR 524 CO 0.02 0.10 0.08 0.87 -1.64 0.00 0.00 178.16 177.60 1xsj h LYS 525 N 0.26 0.18 -0.90 1.82 1.57 -1.14 0.73 116.57 119.09 1xsj h LYS 525 Ca 0.14 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1xsj h LYS 525 Cb 0.10 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1xsj h LYS 525 CO -0.13 0.12 0.59 0.00 -0.57 0.00 0.00 179.45 179.46 1xsj h ARG 526 N 0.19 1.12 -0.24 3.15 2.47 -1.09 -2.23 114.38 117.75 1xsj h ARG 526 Ca 0.08 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 1xsj h ARG 526 Cb 0.03 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 1xsj h ARG 526 CO -0.06 0.74 -0.31 2.35 0.56 0.00 0.00 179.97 183.25 1xsj h TRP 527 N 1.15 0.57 -0.54 3.04 2.91 -0.58 -2.94 115.95 119.56 1xsj h TRP 527 Ca 0.35 -0.14 0.03 0.00 1.13 0.00 0.00 58.89 60.26 1xsj h TRP 527 Cb -0.03 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.45 1xsj h TRP 527 CO -0.01 0.76 0.32 0.00 -1.03 0.00 0.00 178.44 178.47 1xsj h ALA 529 N 1.25 0.19 -0.28 0.00 0.00 -1.36 -0.69 119.26 118.36 1xsj h ALA 529 Ca 0.22 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1xsj h ALA 529 Cb 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xsj h ALA 529 CO -0.11 -0.42 0.12 0.35 0.00 0.00 0.00 179.25 179.19 1xsj h PHE 530 N 0.08 0.21 -0.29 0.00 3.57 -1.33 -2.46 116.94 116.74 1xsj h PHE 530 Ca 0.10 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 1xsj h PHE 530 Cb 0.11 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1xsj h PHE 530 CO -0.17 0.11 -0.48 0.78 -2.23 0.00 0.00 178.31 176.32 1xsj h GLY 531 N 0.25 0.85 2.00 2.40 0.00 -0.67 -1.53 103.07 106.38 1xsj h GLY 531 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1xsj h GLY 531 CO -0.11 0.84 0.00 1.04 0.00 0.00 0.00 176.54 178.31 1xsj n LEU 532 N -4.01 0.21 -1.35 3.11 7.99 -0.29 -2.46 117.00 120.20 1xsj n LEU 532 Ca -0.03 0.55 -0.08 0.00 -0.01 0.00 0.00 56.01 56.44 1xsj n LEU 532 Cb 0.58 -0.52 0.19 0.00 -0.11 0.00 0.00 43.42 43.57 1xsj n LEU 532 CO 0.48 -0.33 0.77 0.18 -1.51 0.00 0.00 177.39 176.98 1xsj n LEU 533 N -1.73 4.55 -4.71 2.23 4.32 -0.60 -4.71 117.00 116.34 1xsj n LEU 533 Ca 0.03 -3.80 -0.23 0.00 -0.02 0.00 0.00 56.01 51.99 1xsj n LEU 533 Cb 0.20 -0.67 -0.06 0.00 -1.62 0.00 0.00 43.42 41.27 1xsj n LEU 533 CO 0.16 1.27 -0.24 -0.44 -1.22 0.00 0.00 177.39 176.92 1xsj s SER 534 N -2.40 4.73 0.20 -1.43 0.01 -1.03 -4.96 113.70 108.81 1xsj s SER 534 Ca 0.47 -0.67 -0.11 0.00 1.31 0.00 0.00 55.95 56.95 1xsj s SER 534 Cb 0.42 -0.84 0.22 0.00 0.21 0.00 0.00 66.02 66.03 1xsj s SER 534 CO 0.01 -0.17 1.76 0.77 0.41 0.00 0.00 173.24 176.02 1xsj h SER 535 N 1.66 0.27 -3.86 2.44 4.64 -1.87 -3.41 113.55 113.43 1xsj h SER 535 Ca -0.44 0.06 -0.59 0.00 -0.47 0.00 0.00 61.79 60.34 1xsj h SER 535 Cb 1.25 0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 63.05 1xsj h SER 535 CO 0.62 0.18 -0.85 -1.00 -0.87 0.00 0.00 176.83 174.91 1xsj s HIS 536 N -6.11 1.90 -0.20 4.77 3.76 -1.17 -4.75 115.29 113.49 1xsj s HIS 536 Ca -0.13 -0.58 0.01 0.00 -0.15 0.00 0.00 55.06 54.21 1xsj s HIS 536 Cb 0.16 -1.28 0.04 0.00 1.11 0.00 0.00 32.58 32.61 1xsj s HIS 536 CO 0.74 -0.20 -0.10 -1.12 -0.85 0.00 0.00 174.74 173.21 1xsj s SER 537 N 0.06 3.39 -0.03 1.40 0.01 -1.26 -4.33 113.70 112.93 1xsj s SER 537 Ca -0.05 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.33 1xsj s SER 537 Cb -0.13 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 64.90 1xsj s SER 537 CO 0.03 -0.14 -0.01 -0.60 0.41 0.00 0.00 173.24 172.93 1xsj s ARG 538 N 1.40 0.37 -0.45 12.44 3.52 -1.26 -1.12 118.95 133.85 1xsj s ARG 538 Ca -0.01 0.05 -0.22 0.00 -0.13 0.00 0.00 55.73 55.41 1xsj s ARG 538 Cb -0.16 -0.52 0.03 0.00 -1.56 0.00 0.00 34.95 32.73 1xsj s ARG 538 CO -0.08 -0.12 0.75 -0.51 -0.81 0.00 0.00 175.30 174.52 1xsj s LEU 539 N 0.98 4.32 -0.11 -0.88 1.43 0.38 -0.76 118.68 124.04 1xsj s LEU 539 Ca -0.10 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1xsj s LEU 539 Cb -0.14 -2.90 0.04 0.00 0.03 0.00 0.00 46.19 43.23 1xsj s LEU 539 CO -0.01 -0.89 0.28 -2.28 0.23 0.00 0.00 176.35 173.68 1xsj s HIS 540 N 3.17 -0.34 0.12 0.29 2.46 -1.26 -1.76 115.29 117.97 1xsj s HIS 540 Ca 0.28 0.81 0.04 0.00 0.47 0.00 0.00 55.06 56.66 1xsj s HIS 540 Cb -0.13 0.10 -0.04 0.00 -0.13 0.00 0.00 32.58 32.38 1xsj s HIS 540 CO 0.22 -0.20 -0.10 0.20 -2.47 0.00 0.00 174.74 172.39 1xsj s GLY 541 N 0.76 0.95 -0.11 1.59 0.00 -1.26 -4.24 107.32 105.01 1xsj s GLY 541 Ca -0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.28 1xsj s GLY 541 CO -0.05 -1.47 0.01 0.23 0.00 0.00 0.00 173.10 171.82 1xsj h SER 542 N 3.06 0.00 0.00 1.64 0.87 -0.90 -1.52 113.55 116.69 1xsj h SER 542 Ca -0.37 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1xsj h SER 542 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1xsj h SER 542 CO 0.60 0.54 0.00 0.29 -0.53 0.00 0.00 176.83 177.74 1xsj n LYS 543 N -4.76 -0.78 -4.19 2.24 5.02 -1.26 -1.67 118.16 112.75 1xsj n LYS 543 Ca -0.01 -0.48 -0.12 0.00 -2.02 0.00 0.00 58.31 55.68 1xsj n LYS 543 Cb 0.04 -0.95 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.03 0.99 0.58 4.39 1.04 -1.26 -4.69 113.70 114.72 1xsj s SER 544 Ca 0.00 -1.12 -0.14 0.00 0.48 0.00 0.00 55.95 55.18 1xsj s SER 544 Cb 0.00 0.15 -0.06 0.00 0.10 0.00 0.00 66.02 66.21 1xsj s SER 544 CO 0.00 -0.56 1.01 -0.31 0.98 0.00 0.00 173.24 174.36 1xsj s TYR 545 N -3.73 3.51 -1.31 5.02 2.02 -1.26 -4.41 117.35 117.19 1xsj s TYR 545 Ca 0.19 1.38 0.12 0.00 -0.37 0.00 0.00 57.07 58.39 1xsj s TYR 545 Cb 0.06 -2.77 0.16 0.00 -0.40 0.00 0.00 41.96 39.02 1xsj s TYR 545 CO -0.00 -0.58 0.99 0.54 -1.57 0.00 0.00 175.55 174.92 1xsj n ARG 546 N -2.23 1.29 -1.71 -0.62 5.12 -1.26 -4.95 116.66 112.30 1xsj n ARG 546 Ca 0.06 -1.46 -0.43 0.00 -1.93 0.00 0.00 57.85 54.09 1xsj n ARG 546 Cb 0.54 -1.24 -0.02 0.00 -1.16 0.00 0.00 32.46 30.58 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 0.63 1.31 -0.26 1.55 0.24 -1.26 -4.89 118.33 115.64 1xsj n VAL 547 Ca 0.08 -0.33 0.16 0.00 -2.04 0.00 0.00 64.34 62.21 1xsj n VAL 547 Cb 0.33 -1.72 0.44 0.00 -1.47 0.00 0.00 33.84 31.43 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 3.93 0.53 0.00 7.34 0.13 -1.94 -1.95 132.00 140.04 1xsj h PRO 548 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xsj h PRO 548 Cb 1.26 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xsj h PRO 548 CO 0.73 0.35 0.00 -2.67 -0.23 0.00 0.00 178.00 176.18 1xsj n TRP 549 N -4.56 0.00 0.94 1.56 2.14 -1.26 -1.34 117.44 114.92 1xsj n TRP 549 Ca 0.19 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.88 1xsj n TRP 549 Cb 0.59 -0.28 0.56 0.00 -0.81 0.00 0.00 31.31 31.38 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 -1.28 2.17 -0.04 -1.67 0.00 -0.73 -4.34 120.51 114.63 1xsj n ALA 550 Ca 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1xsj n ALA 550 Cb 0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.45 0.00 -3.84 0.00 4.02 -0.45 -5.09 117.16 110.34 1xsj n TYR 551 Ca 0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1xsj n TYR 551 Cb 0.27 -0.26 0.01 0.00 -0.02 0.00 0.00 39.34 39.34 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 -5.41 -0.04 0.21 7.72 1.47 -1.22 -4.86 116.67 114.55 1xsj s ASP 552 Ca -0.15 -0.65 -0.02 0.00 1.18 0.00 0.00 52.55 52.90 1xsj s ASP 552 Cb 0.02 0.53 0.18 0.00 -0.34 0.00 0.00 42.92 43.31 1xsj s ASP 552 CO 0.23 -1.03 1.57 0.44 0.68 0.00 0.00 175.17 177.05 1xsj h ASP 553 N 2.00 0.62 -0.12 2.11 3.32 -1.89 -2.99 116.42 119.46 1xsj h ASP 553 Ca -0.27 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 1xsj h ASP 553 Cb 1.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1xsj h ASP 553 CO 0.34 0.97 0.05 -0.08 -1.72 0.00 0.00 179.24 178.80 1xsj h GLU 554 N 0.47 0.23 -0.56 3.56 4.81 -1.97 -1.41 114.58 119.72 1xsj h GLU 554 Ca 0.03 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1xsj h GLU 554 Cb 0.95 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1xsj h GLU 554 CO 0.09 0.21 0.37 0.77 -0.73 0.00 0.00 179.01 179.72 1xsj h SER 555 N 0.23 0.54 0.15 1.04 0.02 -1.81 -0.91 113.55 112.82 1xsj h SER 555 Ca 0.06 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1xsj h SER 555 Cb 0.08 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xsj h SER 555 CO -0.00 0.37 -0.41 0.00 -1.14 0.00 0.00 176.83 175.65 1xsj h ASP 557 N 0.28 0.73 0.06 0.00 3.32 -1.25 -0.12 116.42 119.44 1xsj h ASP 557 Ca 0.03 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1xsj h ASP 557 Cb 0.84 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1xsj h ASP 557 CO 0.07 1.15 -0.03 0.58 -1.72 0.00 0.00 179.24 179.29 1xsj h VAL 558 N 0.49 1.05 -0.74 -1.35 2.07 -0.98 -0.28 116.25 116.51 1xsj h VAL 558 Ca 0.00 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1xsj h VAL 558 Cb 1.16 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1xsj h VAL 558 CO 0.12 0.10 0.48 0.58 0.02 0.00 0.00 177.57 178.86 1xsj h VAL 559 N -0.25 1.15 0.08 2.57 2.07 -1.15 -2.15 116.25 118.57 1xsj h VAL 559 Ca -0.01 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1xsj h VAL 559 Cb 0.22 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1xsj h VAL 559 CO 0.01 0.18 -0.04 -0.09 0.02 0.00 0.00 177.57 177.65 1xsj h ARG 560 N 0.96 -0.10 -0.28 1.57 2.43 -0.86 -0.52 114.38 117.59 1xsj h ARG 560 Ca 0.29 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1xsj h ARG 560 Cb -0.05 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1xsj h ARG 560 CO -0.09 0.08 0.02 0.35 -1.51 0.00 0.00 179.97 178.83 1xsj h PHE 561 N -0.27 0.03 -0.00 2.20 3.04 -0.84 -1.71 116.94 119.38 1xsj h PHE 561 Ca -0.01 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.78 1xsj h PHE 561 Cb 0.23 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 1xsj h PHE 561 CO -0.02 -0.02 -0.80 0.74 -2.02 0.00 0.00 178.31 176.19 1xsj h PHE 562 N 0.11 0.15 -0.37 0.41 0.04 -1.38 -1.45 116.94 114.45 1xsj h PHE 562 Ca 0.13 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1xsj h PHE 562 Cb 0.16 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1xsj h PHE 562 CO -0.19 0.86 0.04 1.15 -0.60 0.00 0.00 178.31 179.56 1xsj h THR 563 N 0.06 1.25 -0.24 -1.55 2.02 -0.98 -1.30 112.91 112.17 1xsj h THR 563 Ca -0.02 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.27 1xsj h THR 563 Cb 1.40 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1xsj h THR 563 CO 0.11 0.31 0.07 1.56 0.37 0.00 0.00 175.52 177.94 1xsj h GLN 564 N 0.46 0.18 -0.49 6.66 4.20 -1.30 -1.48 115.11 123.34 1xsj h GLN 564 Ca 0.11 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.89 1xsj h GLN 564 Cb 0.41 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 1xsj h GLN 564 CO 0.01 0.12 0.10 1.25 -0.67 0.00 0.00 178.83 179.64 1xsj h LEU 565 N 0.18 0.01 -0.50 1.46 5.85 -1.16 -0.64 115.31 120.51 1xsj h LEU 565 Ca 0.10 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1xsj h LEU 565 Cb 0.08 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1xsj h LEU 565 CO -0.11 0.03 -0.09 0.50 -0.34 0.00 0.00 178.44 178.42 1xsj h LYS 566 N 0.24 0.95 -0.87 1.25 3.64 -0.94 -0.85 116.57 119.99 1xsj h LYS 566 Ca 0.25 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1xsj h LYS 566 Cb 0.33 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1xsj h LYS 566 CO -0.32 1.01 0.57 0.00 -2.27 0.00 0.00 179.45 178.45 1xsj h ARG 568 N 1.14 0.47 -0.00 0.00 3.08 -0.71 -2.98 114.38 115.38 1xsj h ARG 568 Ca 0.33 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1xsj h ARG 568 Cb -0.07 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1xsj h ARG 568 CO -0.08 0.64 -0.01 -1.33 -1.07 0.00 0.00 179.97 178.12 1xsj n MET 569 N -4.16 0.73 -0.23 0.04 2.81 -0.36 0.17 117.12 116.11 1xsj n MET 569 Ca 0.00 -0.04 0.12 0.00 -1.81 0.00 0.00 57.70 55.97 1xsj n MET 569 Cb 0.36 -1.50 0.41 0.00 -0.71 0.00 0.00 33.22 31.78 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 0.09 0.61 -0.59 0.03 2.86 -1.31 0.20 114.93 116.82 1xsj h MET 570 Ca 0.00 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1xsj h MET 570 Cb 0.17 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1xsj h MET 570 CO 0.00 0.41 0.32 -1.35 1.06 0.00 0.00 176.91 177.35 1xsj h PRO 571 N 0.63 0.59 0.25 -0.22 0.11 -1.75 -0.57 132.00 131.04 1xsj h PRO 571 Ca 0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.48 1xsj h PRO 571 Cb 0.70 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1xsj h PRO 571 CO -0.17 0.39 -0.12 -0.92 -0.21 0.00 0.00 178.00 176.97 1xsj h TYR 572 N 0.61 -0.31 -0.21 0.65 3.20 -1.17 -3.27 116.97 116.46 1xsj h TYR 572 Ca 0.26 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1xsj h TYR 572 Cb 0.14 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1xsj h TYR 572 CO -0.09 -0.02 0.12 -0.07 -1.64 0.00 0.00 178.16 176.46 1xsj h LEU 573 N -0.59 0.19 -1.18 2.82 3.38 -0.24 -2.39 115.31 117.29 1xsj h LEU 573 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1xsj h LEU 573 Cb 0.43 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xsj h LEU 573 CO 0.06 0.14 0.01 0.22 0.09 0.00 0.00 178.44 178.95 1xsj h TYR 574 N 0.25 0.59 -0.53 1.13 3.20 -1.27 0.49 116.97 120.83 1xsj h TYR 574 Ca 0.08 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1xsj h TYR 574 Cb 0.00 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1xsj h TYR 574 CO -0.08 0.57 0.15 -0.09 -1.64 0.00 0.00 178.16 177.07 1xsj h ARG 575 N 0.54 0.79 0.00 1.82 9.65 -1.52 -1.37 114.38 124.29 1xsj h ARG 575 Ca 0.12 -0.15 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 1xsj h ARG 575 Cb 0.34 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1xsj h ARG 575 CO 0.01 0.70 -0.47 0.93 2.80 0.00 0.00 179.97 183.94 1xsj h GLU 576 N 0.77 0.00 -0.44 0.20 4.39 -0.64 -2.63 114.58 116.23 1xsj h GLU 576 Ca 0.17 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.73 1xsj h GLU 576 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1xsj h GLU 576 CO -0.01 0.47 -0.30 0.00 -1.16 0.00 0.00 179.01 178.01 1xsj h ALA 577 N 1.53 0.64 0.00 3.43 0.00 -0.45 -2.60 119.26 121.80 1xsj h ALA 577 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1xsj h ALA 577 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xsj h ALA 577 CO 0.06 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.79 1xsj h ALA 578 N 0.83 1.21 -0.56 0.00 0.00 -0.91 -1.86 119.26 117.97 1xsj h ALA 578 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1xsj h ALA 578 Cb 0.89 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1xsj h ALA 578 CO 0.08 0.25 0.21 0.00 0.00 0.00 0.00 179.25 179.79 1xsj h ARG 579 N 0.00 0.82 -0.66 0.00 3.08 -1.21 -0.08 114.38 116.33 1xsj h ARG 579 Ca -0.00 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1xsj h ARG 579 Cb 0.53 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1xsj h ARG 579 CO 0.03 0.68 0.25 0.00 -1.07 0.00 0.00 179.97 179.86 1xsj h ALA 580 N 1.42 0.86 -0.23 0.04 0.00 -1.21 0.40 119.26 120.55 1xsj h ALA 580 Ca 0.19 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1xsj h ALA 580 Cb 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xsj h ALA 580 CO -0.01 0.49 -0.60 -0.97 0.00 0.00 0.00 179.25 178.15 1xsj h ASN 581 N 0.94 0.86 0.70 0.00 -0.73 -1.28 0.99 115.58 117.06 1xsj h ASN 581 Ca 0.22 -0.49 -0.23 0.00 1.87 0.00 0.00 56.30 57.67 1xsj h ASN 581 Cb 0.22 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1xsj h ASN 581 CO -0.02 1.26 -1.05 0.00 -0.37 0.00 0.00 177.43 177.26 1xsj h ALA 582 N 0.74 0.31 0.00 1.57 0.00 -0.97 -3.41 119.26 117.50 1xsj h ALA 582 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1xsj h ALA 582 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xsj h ALA 582 CO 0.13 1.02 0.00 0.54 0.00 0.00 0.00 179.25 180.93 1xsj n ARG 583 N -3.54 -0.10 -1.76 0.00 1.74 0.12 -5.02 116.66 108.10 1xsj n ARG 583 Ca -0.05 -0.12 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 1xsj n ARG 583 Cb 0.92 -0.59 -0.04 0.00 -1.02 0.00 0.00 32.46 31.73 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 0.02 0.89 3.64 -0.13 0.00 0.34 -2.92 105.19 107.03 1xsj n GLY 584 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.65 4.31 0.74 2.61 2.01 -1.24 -4.72 115.64 116.71 1xsj s THR 585 Ca 0.00 1.52 -0.13 0.00 0.31 0.00 0.00 61.69 63.39 1xsj s THR 585 Cb 0.00 -4.24 0.04 0.00 0.01 0.00 0.00 72.50 68.32 1xsj s THR 585 CO 0.00 -0.42 1.12 -2.16 -0.69 0.00 0.00 174.62 172.47 1xsj s PRO 586 N 3.85 2.30 0.15 4.92 0.04 -1.26 -2.90 135.00 142.09 1xsj s PRO 586 Ca 0.52 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 1xsj s PRO 586 Cb -0.16 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1xsj s PRO 586 CO 0.18 -1.64 1.44 0.52 0.04 0.00 0.00 177.00 177.55 1xsj h MET 587 N -0.71 0.75 -4.50 4.56 2.86 -1.69 -3.40 114.93 112.81 1xsj h MET 587 Ca -0.45 -0.48 -0.72 0.00 -2.06 0.00 0.00 59.70 55.99 1xsj h MET 587 Cb 1.25 0.06 -0.21 0.00 0.06 0.00 0.00 31.60 32.75 1xsj h MET 587 CO 0.51 1.10 -0.24 1.41 1.06 0.00 0.00 176.91 180.75 1xsj s MET 588 N -4.07 3.02 -0.10 1.72 -2.45 -1.26 -0.59 119.30 115.56 1xsj s MET 588 Ca -0.09 -1.19 -0.01 0.00 -1.25 0.00 0.00 55.69 53.15 1xsj s MET 588 Cb 0.11 -4.11 -0.03 0.00 1.25 0.00 0.00 34.83 32.05 1xsj s MET 588 CO 0.87 -1.05 -0.06 1.03 1.05 0.00 0.00 175.02 176.86 1xsj s ARG 589 N 1.90 3.14 0.55 4.11 0.52 0.28 -4.77 118.95 124.69 1xsj s ARG 589 Ca 0.07 -0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 54.52 1xsj s ARG 589 Cb -0.22 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 1xsj s ARG 589 CO 0.08 0.47 1.31 0.00 0.02 0.00 0.00 175.30 177.18 1xsj s ALA 590 N -0.28 2.74 0.29 2.13 0.00 -1.26 -0.58 121.76 124.80 1xsj s ALA 590 Ca 0.04 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.25 1xsj s ALA 590 Cb -0.13 -3.53 0.58 0.00 0.00 0.00 0.00 23.12 20.05 1xsj s ALA 590 CO 0.02 -1.29 1.84 0.52 0.00 0.00 0.00 175.76 176.86 1xsj h MET 591 N 1.34 0.94 -0.78 0.00 0.00 -1.80 -0.76 114.93 113.87 1xsj h MET 591 Ca -0.51 -0.06 0.09 0.00 0.00 0.00 0.00 59.70 59.23 1xsj h MET 591 Cb 1.30 -0.21 -0.05 0.00 0.00 0.00 0.00 31.60 32.63 1xsj h MET 591 CO 0.57 0.62 0.51 0.00 0.00 0.00 0.00 176.91 178.61 1xsj h MET 592 N 0.97 0.69 -0.38 1.72 -0.00 -1.84 -0.53 114.93 115.55 1xsj h MET 592 Ca 0.49 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.70 60.02 1xsj h MET 592 Cb 0.50 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 1xsj h MET 592 CO -0.25 0.45 -0.28 1.98 -0.00 0.00 0.00 176.91 178.81 1xsj h MET 593 N 0.71 0.80 0.07 -0.10 1.85 -1.49 -2.71 114.93 114.06 1xsj h MET 593 Ca 0.36 -0.36 -0.27 0.00 -0.61 0.00 0.00 59.70 58.82 1xsj h MET 593 Cb 0.44 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 1xsj h MET 593 CO -0.13 0.98 -1.34 1.49 -0.40 0.00 0.00 176.91 177.51 1xsj h GLU 594 N 0.69 0.16 -2.17 0.39 4.57 -1.38 -3.40 114.58 113.43 1xsj h GLU 594 Ca 0.08 -0.27 -0.57 0.00 -1.18 0.00 0.00 59.36 57.42 1xsj h GLU 594 Cb 0.81 0.10 -0.41 0.00 -0.16 0.00 0.00 28.75 29.09 1xsj h GLU 594 CO 0.07 1.03 -0.77 1.19 -1.18 0.00 0.00 179.01 179.35 1xsj n PHE 595 N -3.39 2.74 0.27 0.92 3.01 -0.24 -4.96 117.46 115.81 1xsj n PHE 595 Ca -0.10 -3.97 0.13 0.00 1.01 0.00 0.00 57.45 54.52 1xsj n PHE 595 Cb 1.01 -0.49 0.77 0.00 -0.01 0.00 0.00 39.48 40.76 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 3.57 0.00 -0.01 -1.08 0.13 -1.69 -1.83 132.00 131.09 1xsj h PRO 596 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xsj h PRO 596 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1xsj h PRO 596 CO 0.73 0.10 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.22 1xsj n ASP 597 N -3.66 1.04 -4.46 1.44 8.00 -1.26 -4.83 116.55 112.82 1xsj n ASP 597 Ca -0.02 -1.06 -0.43 0.00 0.71 0.00 0.00 54.79 53.99 1xsj n ASP 597 Cb 0.21 0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.29 6.22 0.60 -2.24 -1.08 -0.69 -4.94 116.67 112.25 1xsj s ASP 598 Ca 0.31 -0.79 0.31 0.00 -0.52 0.00 0.00 52.55 51.87 1xsj s ASP 598 Cb 0.20 -2.26 1.86 0.00 -1.46 0.00 0.00 42.92 41.26 1xsj s ASP 598 CO 0.44 -0.73 2.23 1.55 0.52 0.00 0.00 175.17 179.17 1xsj h PRO 599 N 8.85 0.00 0.00 4.34 0.13 -1.88 -1.11 132.00 142.34 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 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xsj h PRO 599 CO 0.88 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 1xsj h ALA 600 N 1.94 1.00 0.00 -0.56 0.00 -1.95 -3.20 119.26 116.48 1xsj h ALA 600 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 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 -0.52 0.00 0.00 0.00 0.00 179.25 178.73 1xsj h ASP 602 N 0.00 -0.40 -0.02 0.00 3.32 -1.69 -3.02 116.42 114.60 1xsj h ASP 602 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1xsj h ASP 602 Cb 0.59 0.34 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1xsj h ASP 602 CO 0.00 -0.17 -0.11 -1.22 -1.72 0.00 0.00 179.24 176.02 1xsj n TYR 603 N -5.35 0.00 -1.69 4.55 4.01 -1.26 -4.86 117.16 112.55 1xsj n TYR 603 Ca 0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 1xsj n TYR 603 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.99 4.31 0.00 7.72 1.43 -1.14 -4.83 118.68 124.18 1xsj s LEU 604 Ca 0.24 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1xsj s LEU 604 Cb 0.18 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1xsj s LEU 604 CO 0.34 -1.15 0.27 -0.90 0.23 0.00 0.00 176.35 175.14 1xsj n ASP 605 N 7.99 0.25 -0.46 2.29 3.85 -1.26 -4.52 116.55 124.69 1xsj n ASP 605 Ca 0.21 -1.07 0.05 0.00 -0.71 0.00 0.00 54.79 53.27 1xsj n ASP 605 Cb 0.42 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 40.31 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 -0.03 2.82 -4.00 0.11 1.74 -1.26 -4.51 116.66 111.53 1xsj n ARG 606 Ca 0.00 -2.03 -0.09 0.00 -0.77 0.00 0.00 57.85 54.95 1xsj n ARG 606 Cb 0.29 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.34 1.48 0.20 5.56 -2.07 -1.26 -4.01 119.66 118.21 1xsj s GLN 607 Ca 0.20 -1.25 -0.19 0.00 -1.82 0.00 0.00 55.36 52.29 1xsj s GLN 607 Cb 0.13 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.53 1xsj s GLN 607 CO 0.10 -0.60 0.57 1.52 -1.32 0.00 0.00 175.29 175.56 1xsj s TYR 608 N -4.02 -0.23 -0.16 9.60 -0.85 -0.60 -4.55 117.35 116.55 1xsj s TYR 608 Ca 0.23 -0.11 -0.19 0.00 -0.52 0.00 0.00 57.07 56.48 1xsj s TYR 608 Cb 0.00 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1xsj s TYR 608 CO 0.08 -0.96 0.54 -1.64 -1.52 0.00 0.00 175.55 172.05 1xsj s MET 609 N -3.85 4.26 -0.67 -3.49 -1.94 0.25 -0.79 119.30 113.07 1xsj s MET 609 Ca 0.08 0.50 -0.17 0.00 -1.71 0.00 0.00 55.69 54.38 1xsj s MET 609 Cb -0.02 -3.52 0.14 0.00 2.01 0.00 0.00 34.83 33.45 1xsj s MET 609 CO -0.03 -0.05 0.72 -1.17 -0.01 0.00 0.00 175.02 174.47 1xsj s LEU 610 N 1.29 5.88 0.00 -0.03 2.96 0.84 -0.56 118.68 129.06 1xsj s LEU 610 Ca 0.27 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.28 1xsj s LEU 610 Cb -0.16 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1xsj s LEU 610 CO 0.11 -0.92 0.00 0.61 -1.32 0.00 0.00 176.35 174.83 1xsj n GLY 611 N 4.98 -1.89 0.26 7.98 0.00 0.24 -3.69 105.19 113.07 1xsj n GLY 611 Ca -0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.01 0.59 0.00 1.61 3.32 -1.92 -3.38 116.42 116.63 1xsj h ASP 612 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1xsj h ASP 612 Cb 0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1xsj h ASP 612 CO 0.00 0.76 -0.96 0.59 -1.72 0.00 0.00 179.24 177.91 1xsj n ASN 613 N -4.17 1.53 -4.22 6.45 3.02 -1.26 -4.98 115.26 111.64 1xsj n ASN 613 Ca 0.01 -0.38 -0.32 0.00 -0.03 0.00 0.00 54.58 53.86 1xsj n ASN 613 Cb 0.35 1.23 -0.17 0.00 -0.61 0.00 0.00 39.78 40.59 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 -2.32 2.16 -0.24 2.41 0.11 -1.24 -2.16 120.40 119.12 1xsj s VAL 614 Ca 0.00 -0.97 -0.17 0.00 -2.93 0.00 0.00 61.98 57.91 1xsj s VAL 614 Cb 0.07 -1.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 1xsj s VAL 614 CO 0.42 0.55 0.45 -0.32 -3.33 0.00 0.00 175.10 172.87 1xsj s MET 615 N 0.51 4.11 -0.15 1.54 1.75 -0.13 -0.11 119.30 126.80 1xsj s MET 615 Ca -0.14 0.24 -0.02 0.00 -1.25 0.00 0.00 55.69 54.52 1xsj s MET 615 Cb -0.17 -3.60 -0.02 0.00 2.84 0.00 0.00 34.83 33.88 1xsj s MET 615 CO 0.05 -0.21 -0.08 0.08 -0.65 0.00 0.00 175.02 174.21 1xsj s VAL 616 N 1.86 3.44 -0.33 10.11 1.01 0.03 -1.09 120.40 135.42 1xsj s VAL 616 Ca 0.20 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1xsj s VAL 616 Cb -0.15 -2.49 0.10 0.00 0.00 0.00 0.00 36.38 33.84 1xsj s VAL 616 CO 0.09 0.50 0.06 0.00 0.00 0.00 0.00 175.10 175.75 1xsj s ALA 617 N 0.48 2.48 0.76 5.51 0.00 -0.53 -1.55 121.76 128.91 1xsj s ALA 617 Ca -0.06 -2.25 -0.14 0.00 0.00 0.00 0.00 51.96 49.51 1xsj s ALA 617 Cb -0.15 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.18 1xsj s ALA 617 CO 0.04 -1.66 1.20 -2.14 0.00 0.00 0.00 175.76 173.20 1xsj s PRO 618 N 1.12 1.97 -0.21 0.00 0.02 -1.26 -3.98 135.00 132.66 1xsj s PRO 618 Ca 0.10 1.74 -0.07 0.00 0.02 0.00 0.00 61.00 62.79 1xsj s PRO 618 Cb -0.19 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1xsj s PRO 618 CO -0.13 -1.96 0.05 0.08 -0.33 0.00 0.00 177.00 174.71 1xsj s VAL 619 N -2.06 4.36 -0.27 3.83 1.01 -1.26 -4.97 120.40 121.04 1xsj s VAL 619 Ca 0.74 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.64 1xsj s VAL 619 Cb -0.29 -2.99 0.48 0.00 0.00 0.00 0.00 36.38 33.59 1xsj s VAL 619 CO 0.47 0.40 1.40 0.49 0.00 0.00 0.00 175.10 177.87 1xsj n PHE 620 N 4.27 0.82 -4.04 5.22 3.72 -1.26 -4.83 117.46 121.36 1xsj n PHE 620 Ca -0.16 -1.55 -0.10 0.00 -0.05 0.00 0.00 57.45 55.58 1xsj n PHE 620 Cb 0.52 -0.43 -0.11 0.00 -0.94 0.00 0.00 39.48 38.52 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 -3.23 0.30 0.06 4.37 -4.23 -1.26 -4.90 115.64 106.75 1xsj s THR 621 Ca 0.43 -1.26 -0.28 0.00 -1.18 0.00 0.00 61.69 59.40 1xsj s THR 621 Cb 0.39 -0.77 -0.17 0.00 1.34 0.00 0.00 72.50 73.29 1xsj s THR 621 CO -0.02 -0.62 1.57 -0.08 -0.54 0.00 0.00 174.62 174.93 1xsj h GLU 622 N 4.10 -0.51 0.00 3.99 4.81 -1.93 -3.00 114.58 122.04 1xsj h GLU 622 Ca -0.34 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1xsj h GLU 622 Cb 1.19 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1xsj h GLU 622 CO 0.49 -0.30 0.00 0.00 -0.73 0.00 0.00 179.01 178.47 1xsj h ALA 623 N -0.03 1.00 0.00 2.92 0.00 -1.97 -3.46 119.26 117.71 1xsj h ALA 623 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xsj h ALA 623 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xsj h ALA 623 CO 0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1xsj n GLY 624 N -0.67 0.77 3.75 0.00 0.00 -1.13 -4.54 105.19 103.36 1xsj n GLY 624 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.44 6.59 -0.18 1.61 1.01 -1.26 -0.81 116.67 121.19 1xsj s ASP 625 Ca 0.00 2.74 -0.21 0.00 0.71 0.00 0.00 52.55 55.79 1xsj s ASP 625 Cb 0.00 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.36 1xsj s ASP 625 CO 0.00 -0.74 0.56 0.54 0.21 0.00 0.00 175.17 175.74 1xsj s VAL 626 N -0.11 0.00 0.00 -1.27 0.11 -0.74 -4.38 120.40 114.02 1xsj s VAL 626 Ca 0.59 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.66 1xsj s VAL 626 Cb -0.43 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 1xsj s VAL 626 CO 0.45 -0.02 -0.16 -1.10 -3.33 0.00 0.00 175.10 170.95 1xsj s GLN 627 N 0.01 1.21 0.10 1.54 -0.21 -1.26 -1.26 119.66 119.78 1xsj s GLN 627 Ca -0.02 -0.61 -0.21 0.00 0.02 0.00 0.00 55.36 54.54 1xsj s GLN 627 Cb -0.04 -1.19 0.05 0.00 1.00 0.00 0.00 33.01 32.84 1xsj s GLN 627 CO 0.02 0.32 0.51 -0.59 -2.12 0.00 0.00 175.29 173.43 1xsj s PHE 628 N -0.47 -0.40 -0.11 0.91 -0.12 -0.71 -4.98 117.98 112.10 1xsj s PHE 628 Ca 0.05 0.28 -0.05 0.00 -0.05 0.00 0.00 56.93 57.16 1xsj s PHE 628 Cb -0.06 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1xsj s PHE 628 CO -0.00 -0.71 0.09 -0.47 -0.05 0.00 0.00 175.22 174.07 1xsj s TYR 629 N -3.14 3.42 -0.18 3.49 5.04 -1.26 -1.00 117.35 123.73 1xsj s TYR 629 Ca -0.01 0.39 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 1xsj s TYR 629 Cb -0.00 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.43 1xsj s TYR 629 CO -0.07 0.61 -0.19 -0.51 -1.34 0.00 0.00 175.55 174.05 1xsj s LEU 630 N -0.89 2.20 1.21 6.97 1.02 -0.37 -4.98 118.68 123.84 1xsj s LEU 630 Ca 0.14 -0.62 -0.13 0.00 0.02 0.00 0.00 54.13 53.54 1xsj s LEU 630 Cb -0.12 -1.50 0.30 0.00 0.02 0.00 0.00 46.19 44.90 1xsj s LEU 630 CO 0.03 0.02 0.97 -2.65 0.02 0.00 0.00 176.35 174.74 1xsj n PRO 631 N 4.52 -2.69 -1.69 1.29 -0.02 -1.26 0.11 135.00 135.25 1xsj n PRO 631 Ca -0.21 -0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 60.09 1xsj n PRO 631 Cb 0.50 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1xsj n PRO 631 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xsj n GLU 632 N -4.98 2.04 0.00 -0.52 2.13 -1.26 -2.27 120.64 115.78 1xsj n GLU 632 Ca 0.02 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1xsj n GLU 632 Cb 0.54 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.97 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 0.82 2.66 3.42 8.31 0.00 -1.26 -4.78 105.19 114.35 1xsj n GLY 633 Ca 0.05 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.82 3.09 0.11 1.61 3.52 -1.26 0.68 118.95 124.87 1xsj s ARG 634 Ca 0.00 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1xsj s ARG 634 Cb 0.00 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1xsj s ARG 634 CO 0.00 -0.56 0.24 -1.58 -0.81 0.00 0.00 175.30 172.58 1xsj s TRP 635 N 1.59 3.48 -0.06 5.12 0.52 0.17 -3.35 118.94 126.41 1xsj s TRP 635 Ca 0.03 0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.35 1xsj s TRP 635 Cb -0.18 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1xsj s TRP 635 CO 0.07 0.55 -0.13 0.99 0.02 0.00 0.00 176.95 178.45 1xsj s THR 636 N -1.62 1.18 0.28 2.01 2.01 -0.51 -0.30 115.64 118.69 1xsj s THR 636 Ca 0.34 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1xsj s THR 636 Cb -0.12 -1.07 -0.10 0.00 0.01 0.00 0.00 72.50 71.21 1xsj s THR 636 CO 0.28 0.36 1.46 -2.28 -0.69 0.00 0.00 174.62 173.75 1xsj s HIS 637 N 0.59 2.92 0.35 4.92 2.46 -0.43 0.26 115.29 126.36 1xsj s HIS 637 Ca -0.14 1.03 0.05 0.00 0.47 0.00 0.00 55.06 56.47 1xsj s HIS 637 Cb -0.15 -3.88 0.69 0.00 -0.13 0.00 0.00 32.58 29.11 1xsj s HIS 637 CO 0.04 -2.80 1.95 1.25 -2.47 0.00 0.00 174.74 172.71 1xsj h LEU 638 N 4.61 0.72 0.00 8.88 5.85 -1.34 -2.47 115.31 131.56 1xsj h LEU 638 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1xsj h LEU 638 Cb 1.22 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1xsj h LEU 638 CO 0.75 0.47 -0.77 -2.67 -0.34 0.00 0.00 178.44 175.88 1xsj n TRP 639 N -4.48 0.00 0.15 1.25 2.14 -1.26 -4.74 117.44 110.50 1xsj n TRP 639 Ca 0.11 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.73 1xsj n TRP 639 Cb 0.21 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.76 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 -3.48 115.15 110.91 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 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1xsj h HIS 640 CO 0.00 0.36 0.00 -1.71 0.86 0.00 0.00 177.93 177.44 1xsj n ASN 641 N -3.15 -0.13 -4.77 2.45 5.15 -0.93 -4.94 115.26 108.94 1xsj n ASN 641 Ca 0.02 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.62 1xsj n ASN 641 Cb 0.68 -1.04 -0.01 0.00 -0.53 0.00 0.00 39.78 38.89 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 -2.58 6.12 0.02 1.20 -4.77 -1.26 -4.56 116.67 110.84 1xsj s ASP 642 Ca 0.00 2.36 0.03 0.00 -3.30 0.00 0.00 52.55 51.64 1xsj s ASP 642 Cb 0.00 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1xsj s ASP 642 CO 0.00 -0.95 -0.06 -1.61 0.70 0.00 0.00 175.17 173.25 1xsj s GLU 643 N -2.68 2.54 -0.01 2.11 2.02 -1.26 -1.32 118.70 120.11 1xsj s GLU 643 Ca 0.64 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.89 1xsj s GLU 643 Cb -0.30 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1xsj s GLU 643 CO 0.36 0.59 -0.03 -0.51 0.02 0.00 0.00 175.26 175.69 1xsj s LEU 644 N -1.57 1.81 0.32 1.80 1.43 0.59 -4.95 118.68 118.11 1xsj s LEU 644 Ca 0.18 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1xsj s LEU 644 Cb -0.11 -0.21 -0.08 0.00 0.03 0.00 0.00 46.19 45.82 1xsj s LEU 644 CO 0.09 0.01 0.69 -1.81 0.23 0.00 0.00 176.35 175.57 1xsj s ASP 645 N 0.17 6.68 0.00 2.29 1.01 -1.26 0.44 116.67 126.00 1xsj s ASP 645 Ca -0.01 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.39 1xsj s ASP 645 Cb -0.05 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1xsj s ASP 645 CO -0.00 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.77 1xsj n GLY 646 N -0.51 1.76 2.49 0.21 0.00 0.21 -4.62 105.19 104.73 1xsj n GLY 646 Ca 0.02 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.23 -5.09 -3.71 1.61 7.64 0.29 -4.70 113.62 109.44 1xsj n SER 647 Ca 0.00 0.40 -0.10 0.00 1.01 0.00 0.00 58.87 60.18 1xsj n SER 647 Cb 0.00 -4.12 -0.04 0.00 -1.01 0.00 0.00 64.21 59.04 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 -3.55 1.30 0.62 1.43 1.70 -0.72 -4.95 118.95 114.77 1xsj s ARG 648 Ca 0.00 -0.82 -0.10 0.00 -0.47 0.00 0.00 55.73 54.34 1xsj s ARG 648 Cb 0.00 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1xsj s ARG 648 CO 0.00 -0.54 0.99 -1.58 -1.08 0.00 0.00 175.30 173.09 1xsj s TRP 649 N -3.86 3.48 0.04 5.89 0.52 -1.26 -1.23 118.94 122.52 1xsj s TRP 649 Ca 0.08 1.06 -0.07 0.00 0.02 0.00 0.00 56.10 57.19 1xsj s TRP 649 Cb -0.00 -2.76 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 1xsj s TRP 649 CO -0.05 -0.79 0.13 -1.01 0.02 0.00 0.00 176.95 175.25 1xsj s HIS 650 N -3.14 0.16 -0.03 -1.98 3.76 -0.17 -4.93 115.29 108.95 1xsj s HIS 650 Ca 0.55 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 1xsj s HIS 650 Cb -0.11 -0.11 0.01 0.00 1.11 0.00 0.00 32.58 33.48 1xsj s HIS 650 CO 0.51 -0.39 -0.10 0.21 -0.85 0.00 0.00 174.74 174.12 1xsj s LYS 651 N -2.69 1.12 0.24 1.40 2.20 -1.26 -1.73 119.74 119.01 1xsj s LYS 651 Ca -0.04 -0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 1xsj s LYS 651 Cb -0.01 -1.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.26 1xsj s LYS 651 CO -0.05 0.10 0.22 -0.65 -0.36 0.00 0.00 175.35 174.61 1xsj s GLN 652 N 0.30 1.39 -0.07 4.03 -0.21 -0.39 -5.01 119.66 119.70 1xsj s GLN 652 Ca -0.05 -1.67 -0.01 0.00 0.02 0.00 0.00 55.36 53.64 1xsj s GLN 652 Cb -0.10 0.31 0.03 0.00 1.00 0.00 0.00 33.01 34.25 1xsj s GLN 652 CO 0.01 -0.49 0.00 -1.14 -2.12 0.00 0.00 175.29 171.55 1xsj s GLN 653 N -3.94 0.57 -0.03 2.91 0.74 -1.26 -1.79 119.66 116.87 1xsj s GLN 653 Ca 0.37 0.12 0.07 0.00 0.05 0.00 0.00 55.36 55.97 1xsj s GLN 653 Cb 0.05 -0.94 -0.02 0.00 1.10 0.00 0.00 33.01 33.19 1xsj s GLN 653 CO 0.15 -0.30 -0.24 -1.01 -0.55 0.00 0.00 175.29 173.34 1xsj s HIS 654 N 1.96 2.40 0.70 1.67 3.76 0.01 -4.95 115.29 120.84 1xsj s HIS 654 Ca 0.05 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.44 1xsj s HIS 654 Cb -0.12 -1.52 0.17 0.00 1.11 0.00 0.00 32.58 32.21 1xsj s HIS 654 CO -0.05 -0.00 0.78 0.41 -0.85 0.00 0.00 174.74 175.02 1xsj n GLY 655 N 2.43 -2.00 0.09 -2.22 0.00 -1.26 -4.21 105.19 98.02 1xsj n GLY 655 Ca -0.16 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.58 0.63 -0.31 1.61 3.72 -1.26 -2.31 117.46 115.95 1xsj n PHE 656 Ca 0.10 0.22 0.08 0.00 -0.05 0.00 0.00 57.45 57.80 1xsj n PHE 656 Cb 0.37 -0.86 0.31 0.00 -0.94 0.00 0.00 39.48 38.36 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 -2.05 4.24 -3.91 4.37 7.99 -1.26 -4.85 117.00 121.53 1xsj n LEU 657 Ca 0.04 -2.14 -0.09 0.00 -0.01 0.00 0.00 56.01 53.81 1xsj n LEU 657 Cb 0.28 -0.55 -0.09 0.00 -0.11 0.00 0.00 43.42 42.95 1xsj n LEU 657 CO 0.22 0.68 -0.18 -0.55 -1.51 0.00 0.00 177.39 176.06 1xsj s SER 658 N -0.81 0.17 0.12 -1.43 0.15 -0.98 -5.03 113.70 105.90 1xsj s SER 658 Ca 0.44 -0.59 -0.25 0.00 0.70 0.00 0.00 55.95 56.25 1xsj s SER 658 Cb 0.29 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.94 1xsj s SER 658 CO 0.20 -0.59 0.82 -1.48 1.20 0.00 0.00 173.24 173.39 1xsj s LEU 659 N -2.42 -0.33 -0.16 3.45 2.34 -1.26 -4.62 118.68 115.68 1xsj s LEU 659 Ca -0.01 -0.22 -0.29 0.00 0.06 0.00 0.00 54.13 53.68 1xsj s LEU 659 Cb 0.02 2.29 -0.06 0.00 -0.56 0.00 0.00 46.19 47.88 1xsj s LEU 659 CO -0.07 -0.89 2.11 -2.84 -1.06 0.00 0.00 176.35 173.60 1xsj s PRO 660 N -3.43 3.42 -0.36 1.48 0.02 -1.26 -4.93 135.00 129.95 1xsj s PRO 660 Ca 0.07 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1xsj s PRO 660 Cb -0.02 -4.30 0.12 0.00 0.02 0.00 0.00 34.50 30.32 1xsj s PRO 660 CO -0.04 -1.77 0.17 0.08 -0.33 0.00 0.00 177.00 175.12 1xsj s VAL 661 N 7.14 0.83 -0.09 3.83 1.01 -1.25 -1.45 120.40 130.40 1xsj s VAL 661 Ca 0.95 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1xsj s VAL 661 Cb -0.35 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1xsj s VAL 661 CO 0.36 -0.83 -0.05 -0.31 0.00 0.00 0.00 175.10 174.28 1xsj s TYR 662 N 1.10 3.00 -0.14 5.22 2.02 -0.25 -0.83 117.35 127.45 1xsj s TYR 662 Ca 0.14 -0.05 -0.05 0.00 -0.37 0.00 0.00 57.07 56.75 1xsj s TYR 662 Cb -0.21 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1xsj s TYR 662 CO -0.11 0.25 0.04 0.08 -1.57 0.00 0.00 175.55 174.24 1xsj s VAL 663 N -0.50 4.62 0.64 0.71 1.01 0.14 -0.96 120.40 126.05 1xsj s VAL 663 Ca 0.08 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 1xsj s VAL 663 Cb -0.12 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1xsj s VAL 663 CO 0.02 0.53 1.23 -0.60 0.00 0.00 0.00 175.10 176.28 1xsj s ARG 664 N -0.18 2.70 1.09 2.72 3.52 -0.92 -1.42 118.95 126.46 1xsj s ARG 664 Ca 0.07 1.86 -0.13 0.00 -0.13 0.00 0.00 55.73 57.40 1xsj s ARG 664 Cb -0.12 -1.89 0.24 0.00 -1.56 0.00 0.00 34.95 31.62 1xsj s ARG 664 CO 0.02 -1.43 1.06 0.16 -0.81 0.00 0.00 175.30 174.29 1xsj s ASP 665 N -1.66 1.70 -1.55 -2.12 3.84 -1.21 -3.85 116.67 111.82 1xsj s ASP 665 Ca 0.78 1.30 -0.11 0.00 -0.00 0.00 0.00 52.55 54.52 1xsj s ASP 665 Cb -0.32 -2.03 0.09 0.00 -1.38 0.00 0.00 42.92 39.28 1xsj s ASP 665 CO 0.37 -3.72 0.73 0.59 -0.00 0.00 0.00 175.17 173.14 1xsj n ASN 666 N -4.58 -2.69 -4.24 2.11 3.02 -0.49 -4.97 115.26 103.42 1xsj n ASN 666 Ca 0.04 -0.94 -0.31 0.00 -0.03 0.00 0.00 54.58 53.34 1xsj n ASN 666 Cb 0.56 -3.21 -0.17 0.00 -0.61 0.00 0.00 39.78 36.36 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 -3.51 1.99 -0.32 3.41 2.01 -1.11 -4.48 115.64 113.64 1xsj s THR 667 Ca 0.47 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 1xsj s THR 667 Cb -0.25 -1.70 0.07 0.00 0.01 0.00 0.00 72.50 70.64 1xsj s THR 667 CO 0.89 0.55 0.04 -0.22 -0.69 0.00 0.00 174.62 175.18 1xsj s LEU 668 N 0.04 4.23 -0.10 4.42 2.96 -1.26 -1.02 118.68 127.95 1xsj s LEU 668 Ca -0.09 -1.55 -0.01 0.00 -0.22 0.00 0.00 54.13 52.26 1xsj s LEU 668 Cb -0.15 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1xsj s LEU 668 CO 0.05 -0.32 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.50 1xsj s LEU 669 N 1.17 3.31 -0.27 -0.68 2.96 -0.60 -4.27 118.68 120.31 1xsj s LEU 669 Ca -0.01 -0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 1xsj s LEU 669 Cb -0.20 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1xsj s LEU 669 CO -0.03 0.31 0.17 0.00 -1.32 0.00 0.00 176.35 175.48 1xsj s ALA 670 N -0.48 3.51 -0.05 5.97 0.00 -1.26 -0.53 121.76 128.92 1xsj s ALA 670 Ca 0.08 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1xsj s ALA 670 Cb -0.12 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1xsj s ALA 670 CO 0.02 -0.45 -0.16 -0.51 0.00 0.00 0.00 175.76 174.65 1xsj s LEU 671 N 1.57 2.61 0.63 0.00 1.02 0.39 -2.86 118.68 122.04 1xsj s LEU 671 Ca 0.07 -0.26 -0.01 0.00 0.02 0.00 0.00 54.13 53.95 1xsj s LEU 671 Cb -0.15 -1.52 0.06 0.00 0.02 0.00 0.00 46.19 44.60 1xsj s LEU 671 CO 0.09 0.32 0.88 -0.83 0.02 0.00 0.00 176.35 176.83 1xsj s GLY 672 N -0.57 1.78 -0.19 -3.19 0.00 0.13 -0.45 107.32 104.83 1xsj s GLY 672 Ca 0.08 -1.32 0.16 0.00 0.00 0.00 0.00 44.72 43.64 1xsj s GLY 672 CO 0.01 -0.94 1.65 1.16 0.00 0.00 0.00 173.10 174.98 1xsj n ASN 673 N -2.59 5.09 -4.05 1.64 6.94 -1.26 -4.76 115.26 116.27 1xsj n ASN 673 Ca 0.10 -2.80 -0.29 0.00 -0.02 0.00 0.00 54.58 51.56 1xsj n ASN 673 Cb 0.60 -0.62 -0.17 0.00 -2.36 0.00 0.00 39.78 37.23 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 -1.04 2.59 -0.12 0.53 3.84 -1.26 -4.99 114.94 114.50 1xsj s ASN 674 Ca 0.51 -0.46 0.14 0.00 0.21 0.00 0.00 52.86 53.26 1xsj s ASN 674 Cb 0.37 -1.15 0.44 0.00 -0.55 0.00 0.00 41.25 40.37 1xsj s ASN 674 CO 0.17 -0.01 1.36 -0.90 -2.79 0.00 0.00 177.10 174.92 1xsj n ASP 675 N 4.45 3.52 -0.05 -4.21 5.75 -1.26 -3.35 116.55 121.39 1xsj n ASP 675 Ca -0.18 -2.67 -0.04 0.00 -0.01 0.00 0.00 54.79 51.89 1xsj n ASP 675 Cb 0.51 -0.43 -0.09 0.00 -1.03 0.00 0.00 41.12 40.07 1xsj n ASP 675 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xsj n GLN 676 N -0.18 1.84 -3.94 0.11 1.13 -1.26 -4.18 117.38 110.90 1xsj n GLN 676 Ca 0.18 -0.02 -0.08 0.00 -1.94 0.00 0.00 57.00 55.13 1xsj n GLN 676 Cb 0.73 -1.31 -0.08 0.00 0.11 0.00 0.00 30.24 29.69 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 -2.37 0.75 0.23 -1.09 1.70 -1.26 -4.73 118.95 112.18 1xsj s ARG 677 Ca -0.06 -1.03 0.14 0.00 -0.47 0.00 0.00 55.73 54.31 1xsj s ARG 677 Cb 0.04 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1xsj s ARG 677 CO 0.49 -0.20 1.36 -1.00 -1.08 0.00 0.00 175.30 174.87 1xsj h PRO 678 N 2.95 0.00 -4.42 3.89 0.13 -1.87 -3.44 132.00 129.25 1xsj h PRO 678 Ca -0.34 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.07 1xsj h PRO 678 Cb 1.18 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 1xsj h PRO 678 CO 0.59 0.58 -0.43 0.16 -0.23 0.00 0.00 178.00 178.67 1xsj s ASP 679 N -6.45 5.83 0.09 1.44 -4.77 -1.26 -4.89 116.67 106.66 1xsj s ASP 679 Ca 0.03 -1.36 -0.03 0.00 -3.30 0.00 0.00 52.55 47.89 1xsj s ASP 679 Cb 0.08 -2.06 0.01 0.00 -1.09 0.00 0.00 42.92 39.86 1xsj s ASP 679 CO 0.77 -0.55 0.16 0.00 0.70 0.00 0.00 175.17 176.24 1xsj n TYR 680 N 5.03 -1.16 -2.81 2.11 4.11 -1.26 -5.03 117.16 118.15 1xsj n TYR 680 Ca -0.11 -0.44 -0.43 0.00 -0.00 0.00 0.00 57.90 56.92 1xsj n TYR 680 Cb 0.44 0.19 -0.02 0.00 -0.00 0.00 0.00 39.34 39.94 1xsj n TYR 680 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1xsj s VAL 681 N -2.74 4.50 0.44 -3.48 1.01 -1.26 -4.84 120.40 114.04 1xsj s VAL 681 Ca 0.04 -1.42 0.16 0.00 0.00 0.00 0.00 61.98 60.76 1xsj s VAL 681 Cb -0.01 -4.88 0.19 0.00 0.00 0.00 0.00 36.38 31.68 1xsj s VAL 681 CO 0.03 -1.65 1.99 -0.50 0.00 0.00 0.00 175.10 174.97 1xsj h TRP 682 N 8.98 0.00 -0.08 5.22 6.55 -1.97 -2.70 115.95 131.96 1xsj h TRP 682 Ca 0.19 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.03 1xsj h TRP 682 Cb 1.01 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.31 1xsj h TRP 682 CO 1.20 0.19 0.00 -2.39 -1.05 0.00 0.00 178.44 176.39 1xsj n HIS 683 N -4.22 0.09 -4.25 0.49 1.44 -1.26 -4.32 115.22 103.19 1xsj n HIS 683 Ca -0.02 -0.05 -0.34 0.00 -2.01 0.00 0.00 57.72 55.30 1xsj n HIS 683 Cb 0.26 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.91 3.66 -0.11 -1.40 2.02 -1.02 -1.97 118.70 117.97 1xsj s GLU 684 Ca 0.35 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1xsj s GLU 684 Cb 0.18 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1xsj s GLU 684 CO 0.29 0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1xsj n GLY 685 N 3.81 0.50 3.66 -1.39 0.00 -0.11 -4.65 105.19 107.02 1xsj n GLY 685 Ca -0.17 -0.47 -0.46 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.92 0.53 -3.65 2.61 -1.04 -1.25 -4.28 114.28 104.28 1xsj n THR 686 Ca -0.01 -0.13 -0.40 0.00 -2.04 0.00 0.00 64.05 61.47 1xsj n THR 686 Cb 0.06 -1.44 -0.11 0.00 -1.82 0.00 0.00 70.33 67.01 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 0.34 3.20 0.25 2.41 0.00 0.40 -1.85 121.76 126.51 1xsj s ALA 687 Ca 0.73 -1.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 1xsj s ALA 687 Cb -0.68 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1xsj s ALA 687 CO 0.45 -1.45 0.64 -0.06 0.00 0.00 0.00 175.76 175.34 1xsj s PHE 688 N 1.47 3.47 -0.09 0.00 0.08 -0.09 -0.46 117.98 122.35 1xsj s PHE 688 Ca 0.01 1.10 -0.01 0.00 0.12 0.00 0.00 56.93 58.15 1xsj s PHE 688 Cb -0.20 -2.42 0.03 0.00 -0.57 0.00 0.00 43.02 39.85 1xsj s PHE 688 CO 0.04 0.25 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.35 1xsj s HIS 689 N -1.77 1.09 -0.22 0.36 3.76 0.31 -0.75 115.29 118.07 1xsj s HIS 689 Ca 0.47 -0.45 -0.09 0.00 -0.15 0.00 0.00 55.06 54.84 1xsj s HIS 689 Cb -0.12 -1.00 -0.04 0.00 1.11 0.00 0.00 32.58 32.52 1xsj s HIS 689 CO 0.19 -0.40 0.11 -1.17 -0.85 0.00 0.00 174.74 172.63 1xsj s LEU 690 N 1.71 3.96 -0.23 0.89 2.96 0.35 -1.56 118.68 126.76 1xsj s LEU 690 Ca 0.03 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1xsj s LEU 690 Cb -0.13 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.57 1xsj s LEU 690 CO -0.06 0.11 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.58 1xsj s PHE 691 N 0.77 3.10 -1.07 5.38 0.08 -0.19 -1.72 117.98 124.34 1xsj s PHE 691 Ca 0.06 -2.10 -0.17 0.00 0.12 0.00 0.00 56.93 54.84 1xsj s PHE 691 Cb -0.13 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1xsj s PHE 691 CO 0.02 -0.86 0.77 0.09 -0.10 0.00 0.00 175.22 175.14 1xsj n ASN 692 N 4.49 -5.52 -4.66 1.36 4.13 -1.26 -1.40 115.26 112.41 1xsj n ASN 692 Ca -0.16 -0.93 -0.43 0.00 1.68 0.00 0.00 54.58 54.74 1xsj n ASN 692 Cb 0.45 -3.35 -0.02 0.00 -1.54 0.00 0.00 39.78 35.32 1xsj n ASN 692 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xsj s LEU 693 N -6.09 4.10 0.37 3.41 0.20 -1.26 -1.40 118.68 118.01 1xsj s LEU 693 Ca 0.38 1.34 -0.16 0.00 0.69 0.00 0.00 54.13 56.39 1xsj s LEU 693 Cb -0.14 -3.50 -0.09 0.00 -0.43 0.00 0.00 46.19 42.03 1xsj s LEU 693 CO 0.86 -0.65 0.80 -1.10 -0.29 0.00 0.00 176.35 175.96 1xsj s GLN 694 N 3.15 4.02 -0.03 1.98 -0.21 -1.26 -4.97 119.66 122.34 1xsj s GLN 694 Ca 0.43 0.75 -0.35 0.00 0.02 0.00 0.00 55.36 56.22 1xsj s GLN 694 Cb -0.15 -2.36 -0.13 0.00 1.00 0.00 0.00 33.01 31.37 1xsj s GLN 694 CO 0.06 0.07 1.76 -3.47 -2.12 0.00 0.00 175.29 171.59 1xsj n ASP 695 N -0.60 3.15 0.00 5.90 -0.08 -1.26 -0.95 116.55 122.70 1xsj n ASP 695 Ca 0.04 1.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 1xsj n ASP 695 Cb 0.53 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.64 1xsj n ASP 695 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xsj n GLY 696 N 4.02 0.75 3.74 0.27 0.00 -0.28 -5.02 105.19 108.68 1xsj n GLY 696 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.69 2.92 -0.08 1.61 3.76 -0.13 -4.94 115.29 115.75 1xsj s HIS 697 Ca 0.00 -0.16 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 1xsj s HIS 697 Cb 0.00 -1.31 0.01 0.00 1.11 0.00 0.00 32.58 32.39 1xsj s HIS 697 CO 0.00 0.57 -0.12 -2.00 -0.85 0.00 0.00 174.74 172.33 1xsj s GLU 698 N -3.75 1.79 -0.15 1.40 2.12 -1.26 -1.66 118.70 117.20 1xsj s GLU 698 Ca 0.32 -0.43 -0.13 0.00 0.36 0.00 0.00 54.97 55.10 1xsj s GLU 698 Cb -0.07 -1.52 -0.05 0.00 0.26 0.00 0.00 34.13 32.75 1xsj s GLU 698 CO 0.23 -0.02 0.27 0.00 -0.54 0.00 0.00 175.26 175.20 1xsj s ALA 699 N 0.82 3.64 -0.06 6.30 0.00 0.42 -4.95 121.76 127.93 1xsj s ALA 699 Ca -0.11 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1xsj s ALA 699 Cb -0.15 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1xsj s ALA 699 CO 0.02 0.19 -0.19 0.08 0.00 0.00 0.00 175.76 175.86 1xsj s VAL 700 N 0.15 2.60 -0.10 0.00 1.01 -1.26 -1.09 120.40 121.71 1xsj s VAL 700 Ca 0.16 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1xsj s VAL 700 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1xsj s VAL 700 CO 0.04 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 175.64 1xsj s GLU 702 N 1.60 3.53 -0.15 0.00 2.02 -1.26 -0.77 118.70 123.66 1xsj s GLU 702 Ca 0.02 -0.56 -0.17 0.00 0.02 0.00 0.00 54.97 54.28 1xsj s GLU 702 Cb -0.13 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1xsj s GLU 702 CO -0.06 -0.24 0.44 0.08 0.02 0.00 0.00 175.26 175.49 1xsj s VAL 703 N 1.59 5.20 0.41 2.63 1.01 0.91 -4.85 120.40 127.30 1xsj s VAL 703 Ca 0.06 0.84 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 1xsj s VAL 703 Cb -0.15 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 1xsj s VAL 703 CO 0.03 0.30 0.75 -2.16 0.00 0.00 0.00 175.10 174.02 1xsj s PRO 704 N 0.90 3.71 0.78 2.72 0.04 -1.26 0.09 135.00 141.98 1xsj s PRO 704 Ca 0.23 0.36 -0.09 0.00 0.04 0.00 0.00 61.00 61.55 1xsj s PRO 704 Cb -0.15 -2.41 0.10 0.00 0.04 0.00 0.00 34.50 32.08 1xsj s PRO 704 CO 0.09 -0.05 1.10 0.00 0.04 0.00 0.00 177.00 178.18 1xsj s ALA 705 N -2.43 2.97 0.46 8.56 0.00 0.23 -4.66 121.76 126.89 1xsj s ALA 705 Ca 0.50 -1.07 0.23 0.00 0.00 0.00 0.00 51.96 51.62 1xsj s ALA 705 Cb -0.10 -2.60 1.24 0.00 0.00 0.00 0.00 23.12 21.66 1xsj s ALA 705 CO 0.34 -1.62 1.87 0.00 0.00 0.00 0.00 175.76 176.35 1xsj h ALA 706 N -0.88 2.45 -0.10 0.00 0.00 -1.92 0.89 119.26 119.69 1xsj h ALA 706 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xsj h ALA 706 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xsj h ALA 706 CO 0.53 -0.72 0.00 -0.40 0.00 0.00 0.00 179.25 178.66 1xsj n ASP 707 N -4.43 0.79 0.00 0.00 5.75 -1.26 -4.78 116.55 112.61 1xsj n ASP 707 Ca 0.19 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 1xsj n ASP 707 Cb 0.80 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 1xsj n ASP 707 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsj n GLY 708 N 0.90 2.87 3.74 6.12 0.00 0.31 -5.03 105.19 114.10 1xsj n GLY 708 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.90 3.90 -0.29 1.61 1.04 -1.26 -4.72 113.70 110.08 1xsj s SER 709 Ca 0.00 1.62 -0.23 0.00 0.48 0.00 0.00 55.95 57.83 1xsj s SER 709 Cb 0.00 -2.31 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 1xsj s SER 709 CO 0.00 -2.39 0.75 -0.69 0.98 0.00 0.00 173.24 171.89 1xsj s VAL 710 N -2.92 4.85 -0.13 5.02 1.01 -1.26 -0.60 120.40 126.37 1xsj s VAL 710 Ca 0.62 1.19 0.19 0.00 0.00 0.00 0.00 61.98 63.98 1xsj s VAL 710 Cb -0.18 -4.09 -0.22 0.00 0.00 0.00 0.00 36.38 31.90 1xsj s VAL 710 CO 0.57 -0.16 0.52 0.00 0.00 0.00 0.00 175.10 176.02 1xsj n ILE 711 N 5.42 0.91 -3.74 2.22 3.06 0.11 -4.87 119.36 122.48 1xsj n ILE 711 Ca 0.03 -0.68 -0.13 0.00 -2.50 0.00 0.00 62.75 59.46 1xsj n ILE 711 Cb 0.48 -0.45 -0.10 0.00 0.54 0.00 0.00 39.64 40.11 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 -2.97 -0.44 -0.08 9.51 5.36 -0.99 -1.17 117.98 127.19 1xsj s PHE 712 Ca -0.06 1.08 0.04 0.00 -0.96 0.00 0.00 56.93 57.03 1xsj s PHE 712 Cb 0.09 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 1xsj s PHE 712 CO 0.84 -0.21 -0.20 0.99 -1.46 0.00 0.00 175.22 175.17 1xsj s THR 713 N 0.24 1.77 -0.10 0.12 2.01 0.53 -0.06 115.64 120.15 1xsj s THR 713 Ca -0.00 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1xsj s THR 713 Cb -0.03 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 1xsj s THR 713 CO 0.00 0.50 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.03 1xsj s LEU 714 N 0.38 2.43 -0.04 4.42 2.96 0.05 -0.79 118.68 128.09 1xsj s LEU 714 Ca -0.16 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1xsj s LEU 714 Cb -0.17 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1xsj s LEU 714 CO 0.07 0.21 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.57 1xsj s LYS 715 N 0.08 1.83 -0.13 1.98 1.02 0.75 -0.62 119.74 124.65 1xsj s LYS 715 Ca -0.08 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1xsj s LYS 715 Cb -0.15 -1.65 0.02 0.00 -0.52 0.00 0.00 37.83 35.54 1xsj s LYS 715 CO 0.05 0.33 -0.12 0.00 -0.92 0.00 0.00 175.35 174.69 1xsj s ALA 716 N -0.18 1.66 -0.07 5.17 0.00 -0.25 -1.04 121.76 127.05 1xsj s ALA 716 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1xsj s ALA 716 Cb -0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 1xsj s ALA 716 CO 0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 175.76 175.20 1xsj s ALA 717 N 1.50 1.95 -0.15 0.00 0.00 -0.05 -0.44 121.76 124.57 1xsj s ALA 717 Ca 0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1xsj s ALA 717 Cb -0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1xsj s ALA 717 CO -0.09 0.31 -0.10 0.50 0.00 0.00 0.00 175.76 176.38 1xsj s ARG 718 N 0.16 3.42 -0.07 0.00 3.52 -0.66 -0.36 118.95 124.94 1xsj s ARG 718 Ca -0.11 -0.65 -0.08 0.00 -0.13 0.00 0.00 55.73 54.76 1xsj s ARG 718 Cb -0.15 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1xsj s ARG 718 CO 0.05 0.14 -0.16 -2.37 -0.81 0.00 0.00 175.30 172.15 1xsj n THR 719 N 3.77 0.78 0.00 4.11 5.66 -0.53 -1.13 114.28 126.95 1xsj n THR 719 Ca -0.18 0.29 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1xsj n THR 719 Cb 0.52 -1.86 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 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 1.79 0.86 1.64 1.09 0.00 -1.26 -3.95 105.19 105.37 1xsj n GLY 720 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 3.20 -4.56 1.61 4.13 -1.26 -4.79 115.26 113.58 1xsj n ASN 721 Ca 0.00 -3.65 -0.34 0.00 1.68 0.00 0.00 54.58 52.27 1xsj n ASN 721 Cb 0.00 -0.72 -0.11 0.00 -1.54 0.00 0.00 39.78 37.41 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 -3.24 4.06 -0.15 3.41 2.01 -1.26 0.11 115.64 120.58 1xsj s THR 722 Ca 0.50 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.21 1xsj s THR 722 Cb 0.44 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1xsj s THR 722 CO 0.05 0.53 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.80 1xsj s ILE 723 N -0.07 1.99 -0.24 1.82 -1.16 -0.13 -1.45 121.20 121.96 1xsj s ILE 723 Ca 0.02 -0.92 -0.11 0.00 -0.51 0.00 0.00 60.65 59.13 1xsj s ILE 723 Cb -0.13 -1.77 -0.05 0.00 0.61 0.00 0.00 42.46 41.12 1xsj s ILE 723 CO 0.02 0.53 0.18 -0.89 -2.81 0.00 0.00 174.94 171.97 1xsj s THR 724 N 0.98 5.34 -0.20 4.00 2.01 0.51 -0.85 115.64 127.44 1xsj s THR 724 Ca -0.03 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 1xsj s THR 724 Cb -0.15 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1xsj s THR 724 CO -0.05 0.33 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.48 1xsj s VAL 725 N 1.16 3.57 -0.03 3.82 1.01 -0.41 -0.87 120.40 128.65 1xsj s VAL 725 Ca 0.08 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1xsj s VAL 725 Cb -0.14 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1xsj s VAL 725 CO 0.05 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.54 1xsj s THR 726 N 1.14 1.34 0.08 3.92 2.01 -0.21 -0.79 115.64 123.13 1xsj s THR 726 Ca 0.02 -0.68 0.10 0.00 0.31 0.00 0.00 61.69 61.44 1xsj s THR 726 Cb -0.15 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1xsj s THR 726 CO -0.00 0.39 -0.26 -0.83 -0.69 0.00 0.00 174.62 173.22 1xsj s GLY 727 N -0.07 1.47 -0.02 4.40 0.00 -0.71 -0.17 107.32 112.22 1xsj s GLY 727 Ca -0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1xsj s GLY 727 CO 0.01 -1.27 0.06 0.00 0.00 0.00 0.00 173.10 171.90 1xsj s ALA 728 N -0.90 -0.12 0.00 3.20 0.00 0.02 -4.85 121.76 119.10 1xsj s ALA 728 Ca 0.13 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1xsj s ALA 728 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1xsj s ALA 728 CO 0.04 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1xsj n GLY 729 N 3.23 -0.21 3.29 0.00 0.00 -1.26 -0.35 105.19 109.90 1xsj n GLY 729 Ca -0.15 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 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 3.18 -0.08 1.61 2.12 -0.32 -4.96 118.70 120.26 1xsj s GLU 730 Ca 0.00 -0.76 -0.25 0.00 0.36 0.00 0.00 54.97 54.32 1xsj s GLU 730 Cb 0.00 -3.10 0.06 0.00 0.26 0.00 0.00 34.13 31.35 1xsj s GLU 730 CO 0.00 -0.31 0.57 0.00 -0.54 0.00 0.00 175.26 174.98 1xsj s ALA 731 N 1.45 -1.46 0.07 6.30 0.00 -1.26 -4.43 121.76 122.43 1xsj s ALA 731 Ca 0.04 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1xsj s ALA 731 Cb -0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1xsj s ALA 731 CO -0.02 -0.32 -0.15 0.15 0.00 0.00 0.00 175.76 175.42 1xsj s LYS 732 N -0.90 0.87 -1.43 0.00 3.01 -0.83 -4.88 119.74 115.58 1xsj s LYS 732 Ca -0.09 -0.95 -0.06 0.00 -1.01 0.00 0.00 55.97 53.87 1xsj s LYS 732 Cb -0.02 -0.91 0.04 0.00 -1.01 0.00 0.00 37.83 35.93 1xsj s LYS 732 CO 0.07 0.21 0.71 0.09 0.51 0.00 0.00 175.35 176.93 1xsj n ASN 733 N 1.36 -2.13 -4.95 2.83 3.02 -1.26 -0.93 115.26 113.19 1xsj n ASN 733 Ca -0.21 -0.87 -0.24 0.00 -0.03 0.00 0.00 54.58 53.23 1xsj n ASN 733 Cb 0.54 -3.63 -0.03 0.00 -0.61 0.00 0.00 39.78 36.05 1xsj n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1xsj s TRP 734 N -3.61 3.47 0.19 3.10 1.48 -1.26 -3.34 118.94 118.98 1xsj s TRP 734 Ca 0.25 0.08 0.06 0.00 -1.06 0.00 0.00 56.10 55.43 1xsj s TRP 734 Cb -0.13 -1.64 -0.05 0.00 -1.16 0.00 0.00 33.47 30.49 1xsj s TRP 734 CO 0.85 0.48 -0.10 0.95 -4.06 0.00 0.00 176.95 175.07 1xsj s THR 735 N -1.83 1.39 -0.13 0.66 -4.23 -0.77 -4.44 115.64 106.28 1xsj s THR 735 Ca 0.34 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1xsj s THR 735 Cb -0.10 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1xsj s THR 735 CO 0.29 -0.59 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.43 1xsj s LEU 736 N -3.27 1.56 -0.20 4.79 1.98 -0.42 -0.91 118.68 122.21 1xsj s LEU 736 Ca 0.22 -0.43 -0.10 0.00 -2.89 0.00 0.00 54.13 50.93 1xsj s LEU 736 Cb 0.02 -1.08 -0.05 0.00 0.66 0.00 0.00 46.19 45.74 1xsj s LEU 736 CO 0.05 -0.06 0.12 0.00 -1.89 0.00 0.00 176.35 174.57 1xsj s LEU 738 N 0.44 5.71 0.20 0.00 1.43 0.20 -0.49 118.68 126.17 1xsj s LEU 738 Ca 0.07 -2.17 -0.32 0.00 -1.03 0.00 0.00 54.13 50.68 1xsj s LEU 738 Cb -0.11 -2.32 -0.12 0.00 0.03 0.00 0.00 46.19 43.66 1xsj s LEU 738 CO -0.01 -0.90 1.68 0.54 0.23 0.00 0.00 176.35 177.89 1xsj n ARG 739 N 5.61 2.62 -1.45 1.70 5.12 -0.70 -1.61 116.66 127.94 1xsj n ARG 739 Ca 0.15 0.94 -0.16 0.00 -1.93 0.00 0.00 57.85 56.85 1xsj n ARG 739 Cb 0.47 -2.76 -0.07 0.00 -1.16 0.00 0.00 32.46 28.94 1xsj n ARG 739 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xsj n ASN 740 N 3.69 -5.09 -4.30 0.55 3.02 -0.57 -4.70 115.26 107.85 1xsj n ASN 740 Ca 0.16 0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 54.71 1xsj n ASN 740 Cb 0.33 -3.97 -0.12 0.00 -0.61 0.00 0.00 39.78 35.42 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 -2.51 4.01 -0.25 2.41 1.01 -0.63 -4.97 120.40 119.46 1xsj s VAL 741 Ca 0.00 -1.04 0.22 0.00 0.00 0.00 0.00 61.98 61.16 1xsj s VAL 741 Cb 0.00 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1xsj s VAL 741 CO 0.00 -0.18 1.11 -0.37 0.00 0.00 0.00 175.10 175.66 1xsj h VAL 742 N 6.08 0.06 -2.85 2.92 -1.51 -1.94 -1.45 116.25 117.56 1xsj h VAL 742 Ca -0.24 -1.11 -0.14 0.00 -1.23 0.00 0.00 66.70 63.98 1xsj h VAL 742 Cb 1.09 1.63 -0.26 0.00 -2.13 0.00 0.00 31.29 31.62 1xsj h VAL 742 CO 0.62 0.03 -0.35 -0.75 -1.23 0.00 0.00 177.57 175.89 1xsj s LYS 743 N -3.30 0.35 0.25 5.19 2.20 -1.26 -4.83 119.74 118.34 1xsj s LYS 743 Ca 0.00 0.59 0.09 0.00 -0.36 0.00 0.00 55.97 56.29 1xsj s LYS 743 Cb 0.09 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.41 1xsj s LYS 743 CO 0.77 -0.11 -0.14 0.14 -0.36 0.00 0.00 175.35 175.66 1xsj s VAL 744 N 0.81 1.93 -0.29 4.02 -7.23 -1.26 -4.42 120.40 113.96 1xsj s VAL 744 Ca -0.05 -2.24 0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1xsj s VAL 744 Cb -0.06 -2.22 0.11 0.00 0.56 0.00 0.00 36.38 34.76 1xsj s VAL 744 CO -0.06 -0.47 1.24 0.78 -0.31 0.00 0.00 175.10 176.28 1xsj h ASN 745 N 2.40 0.00 -5.30 4.85 4.21 -0.76 -3.47 115.58 117.52 1xsj h ASN 745 Ca -0.39 0.00 0.24 0.00 1.21 0.00 0.00 56.30 57.36 1xsj h ASN 745 Cb 1.23 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.32 1xsj h ASN 745 CO 0.63 0.08 0.66 -0.83 -1.29 0.00 0.00 177.43 176.68 1xsj s GLY 746 N -4.36 -0.34 -0.30 2.83 0.00 -0.96 -4.95 107.32 99.24 1xsj s GLY 746 Ca 0.02 0.62 -0.12 0.00 0.00 0.00 0.00 44.72 45.23 1xsj s GLY 746 CO 0.75 0.15 0.79 -2.27 0.00 0.00 0.00 173.10 172.52 1xsj s LEU 747 N -2.82 -0.90 0.04 0.66 0.20 -1.26 -0.74 118.68 113.87 1xsj s LEU 747 Ca 0.12 1.25 0.08 0.00 0.69 0.00 0.00 54.13 56.27 1xsj s LEU 747 Cb 0.01 2.04 -0.03 0.00 -0.43 0.00 0.00 46.19 47.78 1xsj s LEU 747 CO -0.02 -0.18 -0.22 -1.10 -0.29 0.00 0.00 176.35 174.54 1xsj s GLN 748 N 2.63 1.94 -1.37 1.98 -1.52 -0.32 -4.69 119.66 118.31 1xsj s GLN 748 Ca -0.05 -1.04 0.00 0.00 -1.95 0.00 0.00 55.36 52.32 1xsj s GLN 748 Cb -0.09 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.61 1xsj s GLN 748 CO -0.18 0.53 0.00 -0.25 -0.25 0.00 0.00 175.29 175.13 1xsj n ASP 749 N 1.67 -4.57 -3.68 5.90 9.92 -1.26 -2.11 116.55 122.43 1xsj n ASP 749 Ca -0.17 0.13 -0.05 0.00 -0.53 0.00 0.00 54.79 54.18 1xsj n ASP 749 Cb 0.52 -3.58 -0.01 0.00 -0.64 0.00 0.00 41.12 37.41 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 -2.54 -0.10 0.29 0.44 0.00 -1.26 -0.60 107.32 103.55 1xsj s GLY 750 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 44.72 44.68 1xsj s GLY 750 CO 0.00 0.16 -0.16 -1.35 0.00 0.00 0.00 173.10 171.74 1xsj s SER 751 N -2.99 3.54 0.20 1.64 1.04 -0.01 -4.93 113.70 112.19 1xsj s SER 751 Ca 0.13 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.55 1xsj s SER 751 Cb -0.03 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 1xsj s SER 751 CO 0.05 -0.05 -0.14 0.00 0.98 0.00 0.00 173.24 174.07 1xsj s GLN 752 N -3.55 1.31 0.01 4.02 -2.07 -1.26 -0.35 119.66 117.77 1xsj s GLN 752 Ca 0.30 -1.57 -0.20 0.00 -1.82 0.00 0.00 55.36 52.08 1xsj s GLN 752 Cb -0.02 -1.10 0.04 0.00 -1.09 0.00 0.00 33.01 30.84 1xsj s GLN 752 CO 0.15 0.18 0.43 0.00 -1.32 0.00 0.00 175.29 174.74 1xsj s ALA 753 N -2.94 -1.09 0.47 2.60 0.00 -0.18 -4.99 121.76 115.63 1xsj s ALA 753 Ca 0.22 0.50 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 1xsj s ALA 753 Cb -0.01 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.25 1xsj s ALA 753 CO 0.06 -0.39 1.06 -1.21 0.00 0.00 0.00 175.76 175.28 1xsj s GLU 754 N -1.95 3.82 0.09 0.00 2.02 -1.26 -0.87 118.70 120.55 1xsj s GLU 754 Ca -0.08 1.46 -0.05 0.00 0.02 0.00 0.00 54.97 56.31 1xsj s GLU 754 Cb -0.02 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 1xsj s GLU 754 CO 0.02 -0.43 0.11 -1.54 0.02 0.00 0.00 175.26 173.44 1xsj s SER 755 N -1.82 0.26 0.54 -0.19 1.04 -1.12 -4.78 113.70 107.64 1xsj s SER 755 Ca 0.66 -0.86 0.23 0.00 0.48 0.00 0.00 55.95 56.45 1xsj s SER 755 Cb -0.19 0.30 1.43 0.00 0.10 0.00 0.00 66.02 67.65 1xsj s SER 755 CO 0.23 -0.70 2.09 -0.33 0.98 0.00 0.00 173.24 175.51 1xsj h GLU 756 N 2.88 0.00 -0.00 4.02 5.08 -2.02 -1.91 114.58 122.64 1xsj h GLU 756 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1xsj h GLU 756 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1xsj h GLU 756 CO 0.59 0.00 -0.50 1.04 -1.00 0.00 0.00 179.01 179.14 1xsj n GLN 757 N -4.29 0.06 0.00 2.33 6.02 -1.26 -4.98 117.38 115.26 1xsj n GLN 757 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1xsj n GLN 757 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 1.49 1.20 3.74 1.08 0.00 -0.72 -1.50 105.19 110.47 1xsj n GLY 758 Ca 0.06 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1xsj n GLY 758 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsj s LEU 759 N 0.00 4.38 -0.24 0.99 1.02 -0.55 -2.78 118.68 121.50 1xsj s LEU 759 Ca 0.00 2.69 -0.07 0.00 0.02 0.00 0.00 54.13 56.77 1xsj s LEU 759 Cb 0.00 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.56 1xsj s LEU 759 CO 0.00 -0.77 0.06 -0.69 0.02 0.00 0.00 176.35 174.97 1xsj s VAL 760 N 0.33 4.34 -0.15 -1.59 1.01 -0.05 0.61 120.40 124.90 1xsj s VAL 760 Ca 0.63 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 1xsj s VAL 760 Cb -0.43 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1xsj s VAL 760 CO 0.40 0.36 0.09 -0.69 0.00 0.00 0.00 175.10 175.27 1xsj s VAL 761 N 1.39 5.07 -0.25 2.92 1.01 0.12 -1.01 120.40 129.65 1xsj s VAL 761 Ca 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1xsj s VAL 761 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1xsj s VAL 761 CO 0.03 0.53 -0.02 -0.54 0.00 0.00 0.00 175.10 175.10 1xsj s LYS 762 N -0.25 3.07 0.50 2.72 1.02 0.53 -1.30 119.74 126.02 1xsj s LYS 762 Ca 0.09 -0.84 -0.19 0.00 0.02 0.00 0.00 55.97 55.06 1xsj s LYS 762 Cb -0.12 -3.09 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1xsj s LYS 762 CO 0.01 -0.35 1.01 -1.25 -0.92 0.00 0.00 175.35 173.85 1xsj s PRO 763 N 1.42 3.85 -0.02 -1.68 0.04 -1.26 -0.83 135.00 136.52 1xsj s PRO 763 Ca 0.03 1.20 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 1xsj s PRO 763 Cb -0.16 -2.11 -0.18 0.00 0.04 0.00 0.00 34.50 32.08 1xsj s PRO 763 CO -0.02 -0.37 1.18 1.96 0.04 0.00 0.00 177.00 179.79 1xsj h GLN 764 N 1.34 -0.13 0.00 4.56 7.50 -1.18 -3.47 115.11 123.73 1xsj h GLN 764 Ca -0.48 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.67 1xsj h GLN 764 Cb 1.20 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.76 1xsj h GLN 764 CO 0.60 0.30 0.00 0.41 -1.50 0.00 0.00 178.83 178.64 1xsj n GLY 765 N 0.18 4.09 0.60 3.46 0.00 -1.26 -5.05 105.19 107.21 1xsj n GLY 765 Ca -0.09 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1xsj n GLY 765 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsj n ASN 766 N 0.00 2.05 -3.46 1.61 5.03 -1.26 -4.97 115.26 114.25 1xsj n ASN 766 Ca 0.00 -3.69 -0.03 0.00 0.87 0.00 0.00 54.58 51.73 1xsj n ASN 766 Cb 0.00 -0.53 -0.05 0.00 -1.02 0.00 0.00 39.78 38.18 1xsj n ASN 766 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsj s ALA 767 N -3.15 -1.74 0.19 5.41 0.00 -1.26 -1.74 121.76 119.47 1xsj s ALA 767 Ca 0.38 1.78 0.09 0.00 0.00 0.00 0.00 51.96 54.21 1xsj s ALA 767 Cb 0.36 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1xsj s ALA 767 CO -0.03 -1.06 -0.19 -0.51 0.00 0.00 0.00 175.76 173.97 1xsj s LEU 768 N 2.76 2.48 -0.04 0.00 1.43 0.03 -4.71 118.68 120.64 1xsj s LEU 768 Ca 0.06 -0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 1xsj s LEU 768 Cb -0.13 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1xsj s LEU 768 CO -0.18 -0.02 0.08 0.28 0.23 0.00 0.00 176.35 176.75 1xsj s THR 769 N -2.20 -0.03 -0.06 5.49 -1.32 -0.90 -1.28 115.64 115.34 1xsj s THR 769 Ca 0.20 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.83 1xsj s THR 769 Cb -0.05 -0.14 -0.00 0.00 -1.51 0.00 0.00 72.50 70.80 1xsj s THR 769 CO 0.08 0.04 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.72 1xsj s ILE 770 N 0.62 1.61 -0.35 5.08 1.01 -0.02 -1.18 121.20 127.97 1xsj s ILE 770 Ca -0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1xsj s ILE 770 Cb -0.07 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1xsj s ILE 770 CO -0.02 0.46 0.18 -0.89 0.00 0.00 0.00 174.94 174.67 1xsj s THR 771 N 0.21 4.51 0.76 2.92 2.01 0.08 -0.95 115.64 125.18 1xsj s THR 771 Ca -0.10 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 1xsj s THR 771 Cb -0.14 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 68.97 1xsj s THR 771 CO 0.04 -0.13 1.10 -0.76 -0.69 0.00 0.00 174.62 174.18 1xsj s LEU 772 N 1.56 2.71 0.00 4.42 1.43 0.12 -0.18 118.68 128.74 1xsj s LEU 772 Ca 0.03 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1xsj s LEU 772 Cb -0.18 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1xsj s LEU 772 CO 0.06 -1.73 0.29 0.00 0.23 0.00 0.00 176.35 175.20