#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsi s LYS 2 N 0.00 4.36 -0.07 2.12 -0.14 -1.26 -4.89 119.74 119.86 1xsi s LYS 2 Ca 0.00 1.72 -0.05 0.00 -1.36 0.00 0.00 55.97 56.27 1xsi s LYS 2 Cb 0.00 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 1xsi s LYS 2 CO 0.00 -0.42 -0.13 -0.89 -0.76 0.00 0.00 175.35 173.15 1xsi n ILE 3 N 4.50 0.81 -2.31 2.17 5.41 -1.26 -4.87 119.36 123.81 1xsi n ILE 3 Ca 0.11 0.01 -0.27 0.00 1.00 0.00 0.00 62.75 63.60 1xsi n ILE 3 Cb 0.46 -1.71 0.04 0.00 -0.71 0.00 0.00 39.64 37.72 1xsi n ILE 3 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xsi s SER 4 N -5.92 5.34 -0.44 4.38 1.04 -1.26 -1.52 113.70 115.32 1xsi s SER 4 Ca -0.13 0.65 0.02 0.00 0.48 0.00 0.00 55.95 56.98 1xsi s SER 4 Cb 0.04 -1.53 0.13 0.00 0.10 0.00 0.00 66.02 64.76 1xsi s SER 4 CO 0.17 -1.24 0.22 -0.62 0.98 0.00 0.00 173.24 172.74 1xsi s ASP 5 N -4.37 3.94 0.77 7.02 2.15 0.04 -4.28 116.67 121.93 1xsi s ASP 5 Ca 0.56 -2.60 0.00 0.00 0.43 0.00 0.00 52.55 50.94 1xsi s ASP 5 Cb -0.11 -1.22 0.00 0.00 -0.30 0.00 0.00 42.92 41.30 1xsi s ASP 5 CO 0.45 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.78 1xsi n GLY 6 N 3.61 -0.02 0.14 2.66 0.00 -1.26 -3.04 105.19 107.27 1xsi n GLY 6 Ca 0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 1xsi n GLY 6 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xsi h ASN 7 N 0.00 0.00 0.00 1.61 -1.24 -1.96 -3.37 115.58 110.62 1xsi h ASN 7 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.70 1xsi h ASN 7 Cb 0.00 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1xsi h ASN 7 CO 0.00 0.62 -2.32 0.79 -1.29 0.00 0.00 177.43 175.23 1xsi n TRP 8 N -3.68 0.00 -4.62 0.67 7.02 -1.26 -5.03 117.44 110.55 1xsi n TRP 8 Ca -0.01 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.19 1xsi n TRP 8 Cb 0.64 -0.92 -0.09 0.00 -2.42 0.00 0.00 31.31 28.52 1xsi n TRP 8 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xsi s LEU 9 N -5.33 2.35 0.06 -0.99 1.43 -1.17 -5.03 118.68 110.00 1xsi s LEU 9 Ca -0.10 -1.54 0.08 0.00 -1.03 0.00 0.00 54.13 51.55 1xsi s LEU 9 Cb 0.07 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 1xsi s LEU 9 CO 0.83 -0.73 -0.23 -0.63 0.23 0.00 0.00 176.35 175.82 1xsi s ILE 10 N -2.99 1.90 0.15 -0.59 1.01 -1.26 -0.78 121.20 118.64 1xsi s ILE 10 Ca 0.22 -1.35 -0.32 0.00 0.00 0.00 0.00 60.65 59.20 1xsi s ILE 10 Cb 0.05 -1.65 -0.17 0.00 0.01 0.00 0.00 42.46 40.70 1xsi s ILE 10 CO 0.11 0.23 0.86 0.00 0.00 0.00 0.00 174.94 176.15 1xsi n GLN 11 N 1.67 0.40 -1.71 2.79 1.13 -0.57 -4.60 117.38 116.49 1xsi n GLN 11 Ca -0.17 0.14 -0.43 0.00 -1.94 0.00 0.00 57.00 54.60 1xsi n GLN 11 Cb 0.53 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.43 1xsi n GLN 11 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1xsi n PRO 12 N 1.29 2.37 -0.99 -1.09 -0.02 -1.26 -2.24 135.00 133.06 1xsi n PRO 12 Ca 0.17 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1xsi n PRO 12 Cb 0.21 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1xsi n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsi n GLY 13 N 2.14 0.93 3.69 -1.23 0.00 -1.26 -4.87 105.19 104.58 1xsi n GLY 13 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1xsi n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsi s LEU 14 N 0.00 4.17 -0.21 0.99 1.43 -0.95 -0.52 118.68 123.59 1xsi s LEU 14 Ca 0.00 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1xsi s LEU 14 Cb 0.00 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1xsi s LEU 14 CO 0.00 0.03 -0.02 0.20 0.23 0.00 0.00 176.35 176.79 1xsi s ASN 15 N 0.85 4.61 -0.07 2.29 0.01 -0.41 -4.91 114.94 117.31 1xsi s ASN 15 Ca 0.14 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 1xsi s ASN 15 Cb -0.14 -1.79 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 1xsi s ASN 15 CO 0.05 0.03 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.86 1xsi s LEU 16 N 1.19 3.26 0.05 0.60 1.43 -1.26 -0.40 118.68 123.54 1xsi s LEU 16 Ca 0.03 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1xsi s LEU 16 Cb -0.15 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1xsi s LEU 16 CO 0.00 0.36 -0.14 0.27 0.23 0.00 0.00 176.35 177.07 1xsi s ILE 17 N -0.78 1.08 0.06 -0.59 -4.36 -0.80 -5.00 121.20 110.81 1xsi s ILE 17 Ca 0.12 -1.08 0.05 0.00 -0.26 0.00 0.00 60.65 59.48 1xsi s ILE 17 Cb -0.11 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.57 1xsi s ILE 17 CO 0.02 -0.07 -0.14 -1.00 0.24 0.00 0.00 174.94 173.98 1xsi s HIS 18 N -0.98 1.24 -0.16 1.37 3.76 -1.26 -1.18 115.29 118.09 1xsi s HIS 18 Ca 0.00 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.21 1xsi s HIS 18 Cb -0.08 -0.72 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1xsi s HIS 18 CO 0.01 0.05 1.48 -1.25 -0.85 0.00 0.00 174.74 174.19 1xsi s PRO 19 N -1.45 4.07 0.00 8.40 0.04 -1.26 -3.66 135.00 141.13 1xsi s PRO 19 Ca 0.00 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1xsi s PRO 19 Cb -0.09 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1xsi s PRO 19 CO 0.02 -0.95 0.00 1.28 0.04 0.00 0.00 177.00 177.39 1xsi n LEU 20 N 7.36 0.00 -3.70 -3.56 4.77 0.22 -4.52 117.00 117.58 1xsi n LEU 20 Ca 0.16 -0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1xsi n LEU 20 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1xsi n LEU 20 CO 0.61 0.00 0.13 -1.58 -1.33 0.00 0.00 177.39 175.22 1xsi s GLN 21 N -1.28 0.50 0.00 3.23 0.74 -0.77 -4.21 119.66 117.88 1xsi s GLN 21 Ca 0.00 0.78 -0.30 0.00 0.05 0.00 0.00 55.36 55.89 1xsi s GLN 21 Cb 0.00 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.18 1xsi s GLN 21 CO 0.00 -0.12 1.30 0.08 -0.55 0.00 0.00 175.29 176.00 1xsi s VAL 22 N 0.93 3.92 -0.25 1.34 1.01 -1.26 -0.97 120.40 125.13 1xsi s VAL 22 Ca -0.05 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1xsi s VAL 22 Cb -0.06 -3.84 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 1xsi s VAL 22 CO -0.08 0.02 -0.17 0.33 0.00 0.00 0.00 175.10 175.20 1xsi n PHE 23 N 4.94 0.13 -3.70 5.22 7.35 0.12 -4.76 117.46 126.77 1xsi n PHE 23 Ca 0.11 0.03 -0.14 0.00 -0.76 0.00 0.00 57.45 56.69 1xsi n PHE 23 Cb 0.45 -1.02 -0.09 0.00 0.35 0.00 0.00 39.48 39.18 1xsi n PHE 23 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xsi s GLU 24 N -2.52 0.68 -0.06 -4.13 2.12 -1.15 -5.01 118.70 108.63 1xsi s GLU 24 Ca -0.34 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.34 1xsi s GLU 24 Cb 0.09 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.78 1xsi s GLU 24 CO 0.61 -0.15 -0.19 0.08 -0.54 0.00 0.00 175.26 175.07 1xsi s VAL 25 N -0.53 2.58 -0.06 3.70 1.01 -1.26 -0.84 120.40 125.00 1xsi s VAL 25 Ca -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1xsi s VAL 25 Cb -0.03 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1xsi s VAL 25 CO 0.03 0.57 0.02 -0.70 0.00 0.00 0.00 175.10 175.03 1xsi s GLU 26 N -0.30 0.36 -0.25 2.72 2.12 -0.02 -5.01 118.70 118.31 1xsi s GLU 26 Ca 0.01 0.20 -0.25 0.00 0.36 0.00 0.00 54.97 55.30 1xsi s GLU 26 Cb -0.13 -0.79 -0.00 0.00 0.26 0.00 0.00 34.13 33.47 1xsi s GLU 26 CO 0.03 -0.30 0.84 -1.14 -0.54 0.00 0.00 175.26 174.14 1xsi s GLN 27 N 2.00 4.17 -0.59 4.30 0.74 -1.26 -0.99 119.66 128.04 1xsi s GLN 27 Ca 0.04 0.95 -0.03 0.00 0.05 0.00 0.00 55.36 56.37 1xsi s GLN 27 Cb -0.12 -3.65 0.15 0.00 1.10 0.00 0.00 33.01 30.49 1xsi s GLN 27 CO -0.04 -0.54 0.40 -0.65 -0.55 0.00 0.00 175.29 173.91 1xsi s GLN 28 N 2.88 2.46 3.66 1.67 -0.21 -0.11 -5.00 119.66 125.01 1xsi s GLN 28 Ca 0.35 -2.41 0.00 0.00 0.02 0.00 0.00 55.36 53.32 1xsi s GLN 28 Cb -0.15 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.16 1xsi s GLN 28 CO 0.08 -1.16 0.00 -3.47 -2.12 0.00 0.00 175.29 168.62 1xsi n ASP 29 N 3.67 0.00 -1.97 5.90 4.64 -1.26 -1.64 116.55 125.89 1xsi n ASP 29 Ca 0.06 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.38 1xsi n ASP 29 Cb 0.38 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.74 1xsi n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1xsi n ASN 30 N 7.23 4.44 -4.22 1.67 6.94 -1.26 -4.90 115.26 125.16 1xsi n ASN 30 Ca 0.00 -3.34 -0.25 0.00 -0.02 0.00 0.00 54.58 50.97 1xsi n ASN 30 Cb 0.00 -0.75 -0.14 0.00 -2.36 0.00 0.00 39.78 36.52 1xsi n ASN 30 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xsi s GLU 31 N -3.08 1.37 -0.19 -3.83 2.02 -0.65 -4.65 118.70 109.70 1xsi s GLU 31 Ca 0.55 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.65 1xsi s GLU 31 Cb 0.44 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 33.23 1xsi s GLU 31 CO 0.12 0.37 -0.06 1.41 0.02 0.00 0.00 175.26 177.12 1xsi s MET 32 N -0.99 3.46 -0.18 1.61 -2.45 -0.28 -0.93 119.30 119.53 1xsi s MET 32 Ca 0.07 -0.61 -0.07 0.00 -1.25 0.00 0.00 55.69 53.83 1xsi s MET 32 Cb -0.08 -2.91 -0.04 0.00 1.25 0.00 0.00 34.83 33.05 1xsi s MET 32 CO 0.01 0.00 0.05 0.08 1.05 0.00 0.00 175.02 176.21 1xsi s VAL 33 N 0.96 4.65 -0.19 10.11 1.01 -0.16 -0.14 120.40 136.65 1xsi s VAL 33 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1xsi s VAL 33 Cb -0.15 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1xsi s VAL 33 CO 0.00 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.74 1xsi s VAL 34 N 0.40 1.77 -0.12 2.92 1.01 0.74 -0.84 120.40 126.27 1xsi s VAL 34 Ca 0.02 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1xsi s VAL 34 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1xsi s VAL 34 CO 0.01 0.32 0.55 -0.31 0.00 0.00 0.00 175.10 175.67 1xsi s TYR 35 N 1.37 3.50 -0.04 5.22 2.02 -0.02 -0.55 117.35 128.86 1xsi s TYR 35 Ca 0.01 0.98 -0.00 0.00 -0.37 0.00 0.00 57.07 57.69 1xsi s TYR 35 Cb -0.15 -2.65 0.03 0.00 -0.40 0.00 0.00 41.96 38.79 1xsi s TYR 35 CO -0.10 0.09 0.02 0.00 -1.57 0.00 0.00 175.55 173.99 1xsi s ALA 36 N 0.88 0.31 0.12 3.71 0.00 0.76 -0.71 121.76 126.83 1xsi s ALA 36 Ca 0.29 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1xsi s ALA 36 Cb -0.16 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 1xsi s ALA 36 CO 0.12 -0.21 0.48 0.00 0.00 0.00 0.00 175.76 176.15 1xsi s ALA 37 N 1.38 3.65 -2.01 0.00 0.00 -0.14 -0.59 121.76 124.05 1xsi s ALA 37 Ca -0.05 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1xsi s ALA 37 Cb -0.13 -2.39 0.24 0.00 0.00 0.00 0.00 23.12 20.84 1xsi s ALA 37 CO -0.03 0.51 1.18 -0.35 0.00 0.00 0.00 175.76 177.08 1xsi n PRO 38 N 0.80 1.37 -3.83 0.00 -0.04 -1.24 -0.61 135.00 131.45 1xsi n PRO 38 Ca -0.06 -0.58 -0.07 0.00 -0.04 0.00 0.00 63.50 62.74 1xsi n PRO 38 Cb 0.52 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1xsi n PRO 38 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1xsi s ARG 39 N -1.80 1.95 -0.30 0.54 1.70 -1.26 -4.76 118.95 115.01 1xsi s ARG 39 Ca 0.13 -1.17 -0.28 0.00 -0.47 0.00 0.00 55.73 53.94 1xsi s ARG 39 Cb 0.07 0.60 -0.02 0.00 -0.57 0.00 0.00 34.95 35.02 1xsi s ARG 39 CO 0.09 -0.90 1.85 0.34 -1.08 0.00 0.00 175.30 175.60 1xsi s ASP 40 N -3.01 5.86 -0.29 -2.89 2.15 -1.26 -4.72 116.67 112.51 1xsi s ASP 40 Ca 0.13 1.42 0.09 0.00 0.43 0.00 0.00 52.55 54.62 1xsi s ASP 40 Cb -0.05 -2.52 0.52 0.00 -0.30 0.00 0.00 42.92 40.56 1xsi s ASP 40 CO 0.09 -1.72 1.49 1.33 -0.17 0.00 0.00 175.17 176.19 1xsi n VAL 41 N 7.42 2.57 0.08 1.11 0.24 -1.26 -4.71 118.33 123.78 1xsi n VAL 41 Ca 0.24 -2.65 0.01 0.00 -2.04 0.00 0.00 64.34 59.90 1xsi n VAL 41 Cb 0.46 -0.32 0.32 0.00 -1.47 0.00 0.00 33.84 32.83 1xsi n VAL 41 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1xsi h ARG 42 N 1.06 0.31 -5.87 7.34 3.08 -1.94 -3.44 114.38 114.91 1xsi h ARG 42 Ca 0.23 -0.09 -0.63 0.00 0.07 0.00 0.00 59.98 59.56 1xsi h ARG 42 Cb 1.71 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.67 1xsi h ARG 42 CO 0.42 0.48 -0.41 -1.21 -1.07 0.00 0.00 179.97 178.18 1xsi s GLU 43 N -4.63 3.54 0.44 0.04 0.41 -1.26 -5.01 118.70 112.23 1xsi s GLU 43 Ca -0.06 -0.13 0.13 0.00 -0.41 0.00 0.00 54.97 54.50 1xsi s GLU 43 Cb 0.15 -3.09 1.01 0.00 -1.78 0.00 0.00 34.13 30.43 1xsi s GLU 43 CO 0.75 0.66 2.01 0.00 -0.49 0.00 0.00 175.26 178.20 1xsi h ARG 44 N 4.00 0.39 0.00 1.61 2.47 -1.98 -1.46 114.38 119.42 1xsi h ARG 44 Ca -0.50 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.18 1xsi h ARG 44 Cb 1.20 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1xsi h ARG 44 CO 0.66 0.26 -0.09 0.00 0.56 0.00 0.00 179.97 181.36 1xsi h THR 45 N 0.40 0.46 -0.05 2.04 1.03 -1.95 0.55 112.91 115.40 1xsi h THR 45 Ca 0.22 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 1xsi h THR 45 Cb 0.36 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1xsi h THR 45 CO -0.06 0.09 0.00 0.79 -0.01 0.00 0.00 175.52 176.34 1xsi n TRP 46 N -3.55 0.04 -1.53 0.00 7.02 -0.55 -4.60 117.44 114.27 1xsi n TRP 46 Ca -0.02 -0.02 -0.28 0.00 -1.02 0.00 0.00 57.50 56.16 1xsi n TRP 46 Cb 0.22 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.05 1xsi n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xsi n GLN 47 N 0.87 2.81 0.00 -0.99 6.02 0.18 -4.79 117.38 121.48 1xsi n GLN 47 Ca 0.16 -2.41 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 1xsi n GLN 47 Cb 0.49 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.52 1xsi n GLN 47 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1xsi n LEU 48 N 1.28 0.00 -3.55 1.08 -0.00 -1.26 -5.00 117.00 109.54 1xsi n LEU 48 Ca 0.52 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 56.33 1xsi n LEU 48 Cb 0.53 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.01 1xsi n LEU 48 CO 0.39 0.00 0.06 0.47 -0.00 0.00 0.00 177.39 178.30 1xsi n ASP 49 N 0.00 -2.10 -3.69 1.45 8.00 -1.26 -5.02 116.55 113.93 1xsi n ASP 49 Ca 0.00 -0.69 -0.14 0.00 0.71 0.00 0.00 54.79 54.67 1xsi n ASP 49 Cb 0.00 -4.70 -0.08 0.00 -0.02 0.00 0.00 41.12 36.31 1xsi n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xsi s THR 50 N -3.46 0.02 1.07 -3.53 -1.32 -1.26 -5.15 115.64 102.00 1xsi s THR 50 Ca 0.06 -0.13 -0.13 0.00 -1.21 0.00 0.00 61.69 60.28 1xsi s THR 50 Cb -0.03 -0.72 0.20 0.00 -1.51 0.00 0.00 72.50 70.45 1xsi s THR 50 CO 0.76 -0.07 0.88 -2.65 -2.21 0.00 0.00 174.62 171.33 1xsi n PRO 51 N 2.05 -1.57 -3.68 7.08 -0.02 -1.26 -5.08 135.00 132.51 1xsi n PRO 51 Ca -0.17 -0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 60.81 1xsi n PRO 51 Cb 0.56 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 1xsi n PRO 51 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsi s LEU 52 N -5.81 -0.39 0.03 2.45 1.98 -1.26 -4.38 118.68 111.29 1xsi s LEU 52 Ca 0.66 1.07 -0.15 0.00 -2.89 0.00 0.00 54.13 52.81 1xsi s LEU 52 Cb -0.23 1.61 -0.06 0.00 0.66 0.00 0.00 46.19 48.17 1xsi s LEU 52 CO 0.63 -0.21 0.44 -0.36 -1.89 0.00 0.00 176.35 174.97 1xsi s PHE 53 N 1.68 3.72 -0.26 5.38 0.40 0.24 -4.79 117.98 124.35 1xsi s PHE 53 Ca -0.08 1.03 -0.05 0.00 -0.60 0.00 0.00 56.93 57.23 1xsi s PHE 53 Cb -0.08 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.14 1xsi s PHE 53 CO -0.15 0.61 0.01 0.99 0.70 0.00 0.00 175.22 177.39 1xsi s THR 54 N -1.14 3.56 -0.17 0.64 2.01 -0.97 -0.17 115.64 119.40 1xsi s THR 54 Ca 0.26 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 1xsi s THR 54 Cb -0.17 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1xsi s THR 54 CO 0.15 0.20 0.03 -0.76 -0.69 0.00 0.00 174.62 173.55 1xsi s LEU 55 N 1.45 3.63 -0.12 4.42 1.02 0.29 -1.35 118.68 128.01 1xsi s LEU 55 Ca 0.03 0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.22 1xsi s LEU 55 Cb -0.16 -1.90 0.01 0.00 0.02 0.00 0.00 46.19 44.16 1xsi s LEU 55 CO -0.01 0.19 -0.19 -0.60 0.02 0.00 0.00 176.35 175.76 1xsi s ARG 56 N 0.28 2.70 -0.15 1.70 3.52 -0.55 -0.19 118.95 126.27 1xsi s ARG 56 Ca 0.01 -0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 54.83 1xsi s ARG 56 Cb -0.13 -2.20 -0.03 0.00 -1.56 0.00 0.00 34.95 31.03 1xsi s ARG 56 CO 0.01 -0.02 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.41 1xsi s PHE 57 N 0.85 3.09 0.26 5.12 0.08 0.81 -1.22 117.98 126.96 1xsi s PHE 57 Ca -0.08 -0.15 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 1xsi s PHE 57 Cb -0.15 -1.97 -0.00 0.00 -0.57 0.00 0.00 43.02 40.32 1xsi s PHE 57 CO -0.01 0.07 0.46 -0.59 -0.10 0.00 0.00 175.22 175.05 1xsi s PHE 58 N 0.22 0.49 -0.16 0.36 -0.71 -0.83 -1.13 117.98 116.22 1xsi s PHE 58 Ca -0.01 -0.83 -0.03 0.00 -1.04 0.00 0.00 56.93 55.03 1xsi s PHE 58 Cb -0.13 0.13 0.05 0.00 -1.21 0.00 0.00 43.02 41.85 1xsi s PHE 58 CO 0.02 -1.00 0.03 0.45 -1.34 0.00 0.00 175.22 173.38 1xsi s SER 59 N -3.05 2.47 0.27 1.98 0.15 -1.26 -0.18 113.70 114.08 1xsi s SER 59 Ca 0.24 -0.59 0.20 0.00 0.70 0.00 0.00 55.95 56.50 1xsi s SER 59 Cb -0.00 -0.52 0.09 0.00 -1.71 0.00 0.00 66.02 63.88 1xsi s SER 59 CO 0.11 -0.28 1.28 1.55 1.20 0.00 0.00 173.24 177.09 1xsi h PRO 60 N 8.28 0.00 -3.45 5.44 0.13 -1.82 -3.41 132.00 137.18 1xsi h PRO 60 Ca -0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.88 1xsi h PRO 60 Cb 1.12 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.11 1xsi h PRO 60 CO 0.31 0.19 -0.20 -0.65 -0.23 0.00 0.00 178.00 177.42 1xsi s GLN 61 N -3.13 0.93 0.00 0.86 -1.52 -1.26 -1.58 119.66 113.95 1xsi s GLN 61 Ca 0.02 -0.69 -0.34 0.00 -1.95 0.00 0.00 55.36 52.40 1xsi s GLN 61 Cb 0.08 0.40 -0.13 0.00 -0.22 0.00 0.00 33.01 33.13 1xsi s GLN 61 CO 0.75 -0.33 1.74 -1.91 -0.25 0.00 0.00 175.29 175.29 1xsi n GLU 62 N 0.10 2.08 -0.74 2.91 0.00 -1.26 -2.22 120.64 121.51 1xsi n GLU 62 Ca -0.17 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.75 1xsi n GLU 62 Cb 0.62 -2.56 0.00 0.00 0.00 0.00 0.00 31.44 29.50 1xsi n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsi n GLY 63 N 3.96 0.62 3.19 8.31 0.00 -1.24 -4.91 105.19 115.12 1xsi n GLY 63 Ca 0.21 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1xsi n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsi s ILE 64 N -2.00 2.34 -0.29 -0.61 1.01 -0.94 -1.12 121.20 119.59 1xsi s ILE 64 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 1xsi s ILE 64 Cb 0.00 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1xsi s ILE 64 CO 0.00 0.53 0.12 -0.69 0.00 0.00 0.00 174.94 174.89 1xsi s VAL 65 N 1.00 4.39 0.09 2.92 1.01 -0.43 -4.04 120.40 125.34 1xsi s VAL 65 Ca -0.02 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1xsi s VAL 65 Cb -0.15 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 1xsi s VAL 65 CO -0.05 0.14 0.70 -0.83 0.00 0.00 0.00 175.10 175.06 1xsi s GLY 66 N 1.59 2.79 -0.16 4.51 0.00 0.75 -0.53 107.32 116.26 1xsi s GLY 66 Ca 0.05 0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 1xsi s GLY 66 CO 0.05 0.80 -0.05 0.14 0.00 0.00 0.00 173.10 174.03 1xsi s VAL 67 N -0.77 1.08 -0.26 1.40 1.01 0.17 -1.97 120.40 121.07 1xsi s VAL 67 Ca 0.34 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1xsi s VAL 67 Cb -0.21 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1xsi s VAL 67 CO 0.22 0.13 0.01 -0.60 0.00 0.00 0.00 175.10 174.87 1xsi s ARG 68 N 1.65 3.21 -0.15 2.72 3.52 -0.36 -1.46 118.95 128.08 1xsi s ARG 68 Ca 0.01 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 1xsi s ARG 68 Cb -0.15 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 1xsi s ARG 68 CO -0.08 -0.32 -0.07 -1.50 -0.81 0.00 0.00 175.30 172.52 1xsi s ILE 69 N 1.48 3.51 -0.03 4.11 2.07 0.21 -1.47 121.20 131.08 1xsi s ILE 69 Ca 0.04 -0.49 0.02 0.00 -1.41 0.00 0.00 60.65 58.81 1xsi s ILE 69 Cb -0.16 -2.52 0.01 0.00 0.13 0.00 0.00 42.46 39.92 1xsi s ILE 69 CO -0.00 0.50 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.75 1xsi s GLU 70 N 0.47 0.82 0.00 3.50 2.12 -0.46 0.57 118.70 125.72 1xsi s GLU 70 Ca -0.06 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1xsi s GLU 70 Cb -0.15 -0.78 0.00 0.00 0.26 0.00 0.00 34.13 33.46 1xsi s GLU 70 CO 0.04 0.05 0.00 1.58 -0.54 0.00 0.00 175.26 176.39 1xsi n HIS 71 N 3.45 0.00 -3.32 5.30 -0.00 0.89 -2.29 115.22 119.25 1xsi n HIS 71 Ca -0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.15 1xsi n HIS 71 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.47 1xsi n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1xsi s PHE 72 N 0.41 3.52 -1.75 1.57 0.08 -1.25 -4.85 117.98 115.72 1xsi s PHE 72 Ca 0.00 0.89 0.27 0.00 0.12 0.00 0.00 56.93 58.22 1xsi s PHE 72 Cb 0.00 -2.54 0.97 0.00 -0.57 0.00 0.00 43.02 40.87 1xsi s PHE 72 CO 0.00 0.18 1.70 1.04 -0.10 0.00 0.00 175.22 178.04 1xsi n GLN 73 N 3.61 0.82 0.11 0.44 6.02 -1.26 -4.28 117.38 122.85 1xsi n GLN 73 Ca -0.07 -0.41 0.13 0.00 -0.01 0.00 0.00 57.00 56.64 1xsi n GLN 73 Cb 0.52 -1.49 0.40 0.00 1.02 0.00 0.00 30.24 30.68 1xsi n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsi n GLY 74 N 1.30 -1.71 3.58 1.08 0.00 -1.26 -4.90 105.19 103.29 1xsi n GLY 74 Ca 0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1xsi n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsi s ALA 75 N -3.11 0.48 0.01 4.61 0.00 -1.26 -4.99 121.76 117.51 1xsi s ALA 75 Ca 0.10 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.03 1xsi s ALA 75 Cb 0.12 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.74 1xsi s ALA 75 CO 0.60 -3.29 1.31 -0.07 0.00 0.00 0.00 175.76 174.30 1xsi h LEU 76 N -2.24 0.22 -3.35 0.00 3.38 -1.97 -3.48 115.31 107.87 1xsi h LEU 76 Ca -0.53 -0.49 -0.34 0.00 0.09 0.00 0.00 57.88 56.61 1xsi h LEU 76 Cb 1.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1xsi h LEU 76 CO 0.47 0.67 -0.90 0.59 0.09 0.00 0.00 178.44 179.36 1xsi n ASN 77 N -4.67 -5.76 -4.93 -0.43 5.03 -1.26 -5.01 115.26 98.23 1xsi n ASN 77 Ca -0.07 -0.49 -0.25 0.00 0.87 0.00 0.00 54.58 54.64 1xsi n ASN 77 Cb 0.32 -2.58 -0.01 0.00 -1.02 0.00 0.00 39.78 36.49 1xsi n ASN 77 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xsi s ASN 78 N -2.58 6.24 1.21 6.41 0.01 -1.26 -5.12 114.94 119.84 1xsi s ASN 78 Ca 0.12 0.58 -0.16 0.00 -0.71 0.00 0.00 52.86 52.69 1xsi s ASN 78 Cb -0.02 -2.05 0.23 0.00 0.41 0.00 0.00 41.25 39.82 1xsi s ASN 78 CO 0.86 -0.41 0.79 0.61 -1.51 0.00 0.00 177.10 177.43 1xsi n GLY 79 N -1.95 -2.84 3.85 0.66 0.00 -1.26 -4.60 105.19 99.05 1xsi n GLY 79 Ca -0.03 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1xsi n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsi s PRO 80 N -4.80 2.73 0.17 1.61 0.04 -1.26 -1.15 135.00 132.35 1xsi s PRO 80 Ca 0.52 0.59 0.10 0.00 0.04 0.00 0.00 61.00 62.25 1xsi s PRO 80 Cb -0.06 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1xsi s PRO 80 CO 0.40 -1.15 -0.16 -1.01 0.04 0.00 0.00 177.00 175.12 1xsi s HIS 81 N -3.25 2.50 0.59 0.56 3.76 -1.26 -4.88 115.29 113.31 1xsi s HIS 81 Ca 0.59 -0.28 -0.19 0.00 -0.15 0.00 0.00 55.06 55.03 1xsi s HIS 81 Cb -0.12 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 32.27 1xsi s HIS 81 CO 0.53 0.48 0.95 0.66 -0.85 0.00 0.00 174.74 176.52 1xsi n TYR 82 N 0.28 0.80 -1.40 1.40 4.01 -1.26 -4.87 117.16 116.12 1xsi n TYR 82 Ca -0.12 0.44 -0.39 0.00 -0.16 0.00 0.00 57.90 57.66 1xsi n TYR 82 Cb 0.55 -2.14 -0.02 0.00 -0.31 0.00 0.00 39.34 37.42 1xsi n TYR 82 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xsi n PRO 83 N -0.92 3.48 -2.60 -0.72 -0.04 -1.26 -4.95 135.00 127.98 1xsi n PRO 83 Ca 0.13 -2.28 -0.41 0.00 -0.04 0.00 0.00 63.50 60.91 1xsi n PRO 83 Cb 0.47 -2.91 -0.05 0.00 -0.04 0.00 0.00 33.50 30.98 1xsi n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsi s LEU 84 N 0.64 4.54 -0.62 1.53 1.02 -1.26 -4.75 118.68 119.78 1xsi s LEU 84 Ca 0.64 2.03 -0.23 0.00 0.02 0.00 0.00 54.13 56.60 1xsi s LEU 84 Cb 0.17 -3.61 0.06 0.00 0.02 0.00 0.00 46.19 42.83 1xsi s LEU 84 CO -0.07 -0.09 0.94 0.20 0.02 0.00 0.00 176.35 177.36 1xsi s ASN 85 N -0.47 6.22 -0.26 2.29 0.01 0.38 -5.02 114.94 118.09 1xsi s ASN 85 Ca 0.46 -0.78 -0.03 0.00 -0.71 0.00 0.00 52.86 51.80 1xsi s ASN 85 Cb -0.28 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 38.99 1xsi s ASN 85 CO 0.34 -1.35 -0.02 -0.63 -1.51 0.00 0.00 177.10 173.93 1xsi s ILE 86 N 3.98 3.13 0.31 0.60 1.01 -1.26 -4.74 121.20 124.22 1xsi s ILE 86 Ca 0.24 -0.98 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 1xsi s ILE 86 Cb -0.16 -2.61 -0.09 0.00 0.01 0.00 0.00 42.46 39.61 1xsi s ILE 86 CO 0.13 0.15 0.80 -0.76 0.00 0.00 0.00 174.94 175.26 1xsi s LEU 87 N 1.36 4.18 0.00 2.97 1.43 -0.62 -5.01 118.68 122.99 1xsi s LEU 87 Ca 0.00 1.49 0.23 0.00 -1.03 0.00 0.00 54.13 54.83 1xsi s LEU 87 Cb -0.17 -3.99 0.18 0.00 0.03 0.00 0.00 46.19 42.24 1xsi s LEU 87 CO -0.03 -0.13 1.20 0.00 0.23 0.00 0.00 176.35 177.62 1xsi n GLN 88 N 0.09 0.77 -1.49 1.70 1.13 -1.26 -4.54 117.38 113.78 1xsi n GLN 88 Ca 0.02 -0.59 0.03 0.00 -1.94 0.00 0.00 57.00 54.53 1xsi n GLN 88 Cb 0.52 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.44 1xsi n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsi n ASP 89 N -0.60 1.24 -4.78 1.08 5.75 -1.26 -4.97 116.55 113.02 1xsi n ASP 89 Ca 0.09 -2.34 -0.41 0.00 -0.01 0.00 0.00 54.79 52.12 1xsi n ASP 89 Cb 0.40 -0.35 -0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1xsi n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xsi s VAL 90 N -0.95 2.11 -0.03 2.12 1.01 -1.26 -4.92 120.40 118.49 1xsi s VAL 90 Ca 0.34 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1xsi s VAL 90 Cb 0.38 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1xsi s VAL 90 CO -0.14 0.02 1.22 -0.75 0.00 0.00 0.00 175.10 175.46 1xsi s LYS 91 N -1.89 4.36 0.10 2.72 2.20 -1.26 -5.00 119.74 120.97 1xsi s LYS 91 Ca 0.54 1.72 -0.02 0.00 -0.36 0.00 0.00 55.97 57.85 1xsi s LYS 91 Cb -0.46 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 1xsi s LYS 91 CO 0.61 -0.42 0.04 0.14 -0.36 0.00 0.00 175.35 175.36 1xsi s VAL 92 N 2.00 0.14 -0.06 4.02 -7.23 -1.26 -4.41 120.40 113.61 1xsi s VAL 92 Ca 0.57 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 1xsi s VAL 92 Cb -0.26 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 1xsi s VAL 92 CO 0.24 -0.65 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.31 1xsi s THR 93 N -3.99 1.54 -0.17 5.32 2.01 -0.72 -4.99 115.64 114.64 1xsi s THR 93 Ca 0.17 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1xsi s THR 93 Cb 0.07 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.28 1xsi s THR 93 CO -0.03 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.57 1xsi s ILE 94 N 0.14 1.72 -0.28 1.82 1.01 -1.26 -0.75 121.20 123.61 1xsi s ILE 94 Ca -0.07 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 1xsi s ILE 94 Cb -0.13 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.73 1xsi s ILE 94 CO 0.03 0.38 -0.05 -1.61 0.00 0.00 0.00 174.94 173.69 1xsi s GLU 95 N 1.40 2.46 -0.58 2.79 2.02 -0.14 -5.00 118.70 121.66 1xsi s GLU 95 Ca 0.03 -1.23 -0.05 0.00 0.02 0.00 0.00 54.97 53.74 1xsi s GLU 95 Cb -0.14 -3.04 0.15 0.00 0.10 0.00 0.00 34.13 31.20 1xsi s GLU 95 CO -0.10 -0.56 0.41 1.21 0.02 0.00 0.00 175.26 176.24 1xsi s ASN 96 N 1.22 5.47 0.38 -0.19 2.47 -1.26 -1.32 114.94 121.71 1xsi s ASN 96 Ca -0.05 -2.53 0.04 0.00 0.42 0.00 0.00 52.86 50.73 1xsi s ASN 96 Cb -0.19 -1.91 0.04 0.00 -1.45 0.00 0.00 41.25 37.74 1xsi s ASN 96 CO -0.03 -0.47 0.32 0.35 -3.72 0.00 0.00 177.10 173.54 1xsi n THR 97 N 3.97 0.00 0.22 -5.21 -2.24 -0.33 -5.01 114.28 105.69 1xsi n THR 97 Ca 0.04 -1.47 0.06 0.00 -2.27 0.00 0.00 64.05 60.41 1xsi n THR 97 Cb 0.40 -0.24 0.51 0.00 -2.10 0.00 0.00 70.33 68.90 1xsi n THR 97 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xsi h GLU 98 N 0.00 0.00 0.00 -0.78 4.57 -2.03 -3.31 114.58 113.03 1xsi h GLU 98 Ca -0.23 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.65 1xsi h GLU 98 Cb 0.87 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 1xsi h GLU 98 CO 0.36 0.23 -2.20 0.54 -1.18 0.00 0.00 179.01 176.75 1xsi n ARG 99 N -4.05 1.01 -4.01 1.92 1.74 -1.26 -4.77 116.66 107.24 1xsi n ARG 99 Ca -0.02 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 56.95 1xsi n ARG 99 Cb 0.30 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.17 1xsi n ARG 99 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xsi s TYR 100 N -2.53 0.35 -0.20 -1.55 4.12 -1.25 -1.30 117.35 115.00 1xsi s TYR 100 Ca -0.09 -0.74 0.01 0.00 0.02 0.00 0.00 57.07 56.27 1xsi s TYR 100 Cb 0.06 -0.26 0.03 0.00 -1.52 0.00 0.00 41.96 40.28 1xsi s TYR 100 CO 0.75 -0.31 -0.15 0.00 0.02 0.00 0.00 175.55 175.85 1xsi s ALA 101 N -2.74 2.25 -0.09 3.71 0.00 -0.28 -1.18 121.76 123.43 1xsi s ALA 101 Ca -0.04 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.65 1xsi s ALA 101 Cb -0.01 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1xsi s ALA 101 CO -0.06 -0.63 -0.16 -2.00 0.00 0.00 0.00 175.76 172.91 1xsi s GLU 102 N 1.30 2.26 -0.13 0.00 2.12 -0.43 -0.69 118.70 123.12 1xsi s GLU 102 Ca 0.01 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.76 1xsi s GLU 102 Cb -0.15 -1.84 -0.00 0.00 0.26 0.00 0.00 34.13 32.39 1xsi s GLU 102 CO -0.10 0.02 -0.18 0.12 -0.54 0.00 0.00 175.26 174.58 1xsi s PHE 103 N 0.75 2.71 -0.05 5.30 5.36 0.36 -0.97 117.98 131.45 1xsi s PHE 103 Ca -0.12 -0.98 0.03 0.00 -0.96 0.00 0.00 56.93 54.91 1xsi s PHE 103 Cb -0.16 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 1xsi s PHE 103 CO 0.02 -0.41 -0.13 0.21 -1.46 0.00 0.00 175.22 173.45 1xsi s LYS 104 N 0.56 1.57 -0.07 10.12 2.20 0.08 -0.32 119.74 133.87 1xsi s LYS 104 Ca -0.11 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1xsi s LYS 104 Cb -0.16 -1.34 0.02 0.00 -1.51 0.00 0.00 37.83 34.84 1xsi s LYS 104 CO 0.04 0.13 -0.04 0.45 -0.36 0.00 0.00 175.35 175.56 1xsi s SER 105 N 0.33 1.55 0.78 1.43 0.15 0.95 -1.76 113.70 117.14 1xsi s SER 105 Ca -0.08 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1xsi s SER 105 Cb -0.13 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1xsi s SER 105 CO 0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1xsi n GLY 106 N 4.62 3.00 0.79 9.45 0.00 -1.26 -1.24 105.19 120.55 1xsi n GLY 106 Ca -0.16 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1xsi n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsi n ASN 107 N 4.48 2.40 -4.34 1.61 3.02 -1.26 -4.90 115.26 116.26 1xsi n ASN 107 Ca 0.00 -1.81 -0.33 0.00 -0.03 0.00 0.00 54.58 52.41 1xsi n ASN 107 Cb 0.00 -0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 38.92 1xsi n ASN 107 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsi s LEU 108 N -1.70 2.66 0.19 3.41 2.96 -0.37 -1.06 118.68 124.76 1xsi s LEU 108 Ca 0.34 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1xsi s LEU 108 Cb 0.20 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 1xsi s LEU 108 CO 0.30 0.14 -0.16 -0.94 -1.32 0.00 0.00 176.35 174.36 1xsi s SER 109 N 0.50 2.63 -0.14 3.68 1.04 0.06 -0.03 113.70 121.43 1xsi s SER 109 Ca -0.09 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 1xsi s SER 109 Cb -0.16 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 1xsi s SER 109 CO 0.04 -0.10 0.01 0.00 0.98 0.00 0.00 173.24 174.17 1xsi s ALA 110 N -2.52 3.23 -0.08 5.32 0.00 0.56 -0.75 121.76 127.52 1xsi s ALA 110 Ca 0.19 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1xsi s ALA 110 Cb -0.03 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1xsi s ALA 110 CO 0.07 0.32 -0.11 0.50 0.00 0.00 0.00 175.76 176.54 1xsi s ARG 111 N -0.02 1.67 -0.18 0.00 3.52 0.72 -0.49 118.95 124.17 1xsi s ARG 111 Ca 0.03 -0.38 -0.06 0.00 -0.13 0.00 0.00 55.73 55.20 1xsi s ARG 111 Cb -0.13 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.77 1xsi s ARG 111 CO 0.02 -0.05 0.02 0.08 -0.81 0.00 0.00 175.30 174.55 1xsi s VAL 112 N 0.93 4.31 -0.13 7.11 1.01 0.13 -0.71 120.40 133.05 1xsi s VAL 112 Ca -0.10 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 1xsi s VAL 112 Cb -0.15 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1xsi s VAL 112 CO 0.01 0.46 0.76 -0.44 0.00 0.00 0.00 175.10 175.89 1xsi s SER 113 N 0.50 6.94 0.93 3.32 0.01 -0.25 -1.12 113.70 124.03 1xsi s SER 113 Ca 0.00 1.14 -0.13 0.00 1.31 0.00 0.00 55.95 58.27 1xsi s SER 113 Cb -0.13 -2.43 0.15 0.00 0.21 0.00 0.00 66.02 63.82 1xsi s SER 113 CO 0.02 -0.28 1.15 -0.54 0.41 0.00 0.00 173.24 174.00 1xsi s LYS 114 N 1.62 0.96 2.31 12.44 1.02 -0.42 -4.03 119.74 133.64 1xsi s LYS 114 Ca 0.37 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1xsi s LYS 114 Cb -0.17 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1xsi s LYS 114 CO 0.15 -2.30 0.00 0.41 -0.92 0.00 0.00 175.35 172.68 1xsi n GLY 115 N -2.31 -0.87 0.20 -3.33 0.00 -1.26 -4.42 105.19 93.21 1xsi n GLY 115 Ca 0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 1xsi n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsi h GLU 116 N 0.00 0.21 -3.55 1.61 4.81 -1.92 -3.39 114.58 112.35 1xsi h GLU 116 Ca 0.00 -0.09 -0.69 0.00 -0.13 0.00 0.00 59.36 58.45 1xsi h GLU 116 Cb 0.00 -0.01 -0.36 0.00 0.63 0.00 0.00 28.75 29.01 1xsi h GLU 116 CO 0.00 0.54 -0.37 -0.06 -0.73 0.00 0.00 179.01 178.39 1xsi s PHE 117 N -4.27 3.39 0.35 0.92 0.08 -1.26 -5.00 117.98 112.19 1xsi s PHE 117 Ca -0.04 -2.75 -0.29 0.00 0.12 0.00 0.00 56.93 53.97 1xsi s PHE 117 Cb 0.14 -3.18 -0.11 0.00 -0.57 0.00 0.00 43.02 39.30 1xsi s PHE 117 CO 0.76 -0.83 1.51 1.87 -0.10 0.00 0.00 175.22 178.42 1xsi n TRP 118 N 3.43 2.89 -3.71 0.36 -0.00 -1.26 -4.74 117.44 114.40 1xsi n TRP 118 Ca 0.08 0.39 -0.14 0.00 -0.00 0.00 0.00 57.50 57.84 1xsi n TRP 118 Cb 0.37 -2.54 -0.09 0.00 -0.00 0.00 0.00 31.31 29.05 1xsi n TRP 118 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xsi s SER 119 N 0.06 -0.47 -0.21 5.87 0.15 -1.26 -4.09 113.70 113.76 1xsi s SER 119 Ca 0.57 0.85 0.02 0.00 0.70 0.00 0.00 55.95 58.08 1xsi s SER 119 Cb -0.49 0.87 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1xsi s SER 119 CO 0.59 -0.21 -0.15 -0.22 1.20 0.00 0.00 173.24 174.44 1xsi s LEU 120 N 0.02 2.56 0.04 3.45 0.20 -0.90 -1.09 118.68 122.96 1xsi s LEU 120 Ca -0.02 -0.92 0.07 0.00 0.69 0.00 0.00 54.13 53.95 1xsi s LEU 120 Cb -0.03 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.25 1xsi s LEU 120 CO 0.01 -0.09 -0.21 -1.81 -0.29 0.00 0.00 176.35 173.97 1xsi s ASP 121 N 1.26 2.49 -0.23 3.68 1.01 0.11 -0.27 116.67 124.72 1xsi s ASP 121 Ca -0.01 -0.53 -0.05 0.00 0.71 0.00 0.00 52.55 52.68 1xsi s ASP 121 Cb -0.16 -0.20 -0.02 0.00 1.01 0.00 0.00 42.92 43.55 1xsi s ASP 121 CO -0.10 0.16 -0.01 -0.36 0.21 0.00 0.00 175.17 175.08 1xsi s PHE 122 N -0.81 3.00 -0.01 4.23 0.08 -0.06 -0.20 117.98 124.20 1xsi s PHE 122 Ca 0.07 -0.75 0.05 0.00 0.12 0.00 0.00 56.93 56.43 1xsi s PHE 122 Cb -0.09 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 1xsi s PHE 122 CO 0.02 -0.47 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.02 1xsi s LEU 123 N 1.47 2.75 -0.31 -0.37 2.01 0.07 -0.83 118.68 123.46 1xsi s LEU 123 Ca 0.05 -0.28 -0.01 0.00 0.01 0.00 0.00 54.13 53.91 1xsi s LEU 123 Cb -0.14 -1.59 0.06 0.00 0.01 0.00 0.00 46.19 44.53 1xsi s LEU 123 CO -0.01 0.30 0.01 -0.60 1.01 0.00 0.00 176.35 177.06 1xsi s ARG 124 N -1.12 2.32 -1.32 1.70 3.52 0.14 -0.76 118.95 123.43 1xsi s ARG 124 Ca 0.14 -1.36 -0.10 0.00 -0.13 0.00 0.00 55.73 54.27 1xsi s ARG 124 Cb -0.11 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1xsi s ARG 124 CO 0.04 -0.67 0.52 0.09 -0.81 0.00 0.00 175.30 174.47 1xsi n ASN 125 N 4.57 -2.10 0.00 -2.12 3.02 -0.22 -1.74 115.26 116.67 1xsi n ASN 125 Ca -0.11 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 1xsi n ASN 125 Cb 0.43 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 1xsi n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsi n GLY 126 N -1.96 0.32 3.82 7.41 0.00 -1.26 -4.99 105.19 108.53 1xsi n GLY 126 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1xsi n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsi s GLU 127 N -0.78 3.76 -0.28 1.61 2.12 -0.71 -5.01 118.70 119.40 1xsi s GLU 127 Ca 0.00 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 1xsi s GLU 127 Cb 0.00 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.11 1xsi s GLU 127 CO 0.00 0.58 1.18 0.50 -0.54 0.00 0.00 175.26 176.98 1xsi s ARG 128 N -0.46 4.07 0.11 4.30 3.52 -1.26 0.27 118.95 129.50 1xsi s ARG 128 Ca 0.12 1.26 0.22 0.00 -0.13 0.00 0.00 55.73 57.21 1xsi s ARG 128 Cb -0.12 -3.78 -0.13 0.00 -1.56 0.00 0.00 34.95 29.37 1xsi s ARG 128 CO 0.02 -0.91 0.82 0.44 -0.81 0.00 0.00 175.30 174.86 1xsi n ILE 129 N 5.84 0.44 0.00 4.11 -5.35 -0.01 -4.95 119.36 119.44 1xsi n ILE 129 Ca 0.13 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1xsi n ILE 129 Cb 0.46 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1xsi n ILE 129 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1xsi n THR 130 N -2.54 0.00 -1.55 7.28 5.66 -1.23 -4.91 114.28 116.98 1xsi n THR 130 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1xsi n THR 130 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1xsi n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsi n GLY 131 N -0.09 -1.41 3.11 1.09 0.00 -1.26 -0.89 105.19 105.74 1xsi n GLY 131 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1xsi n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsi s SER 132 N -1.91 2.89 0.44 1.61 0.15 0.63 -0.70 113.70 116.80 1xsi s SER 132 Ca 0.00 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 56.02 1xsi s SER 132 Cb 0.00 -1.33 -0.05 0.00 -1.71 0.00 0.00 66.02 62.93 1xsi s SER 132 CO 0.00 0.03 0.78 -1.10 1.20 0.00 0.00 173.24 174.15 1xsi s GLN 133 N 1.02 3.66 0.26 5.44 -0.21 -1.26 -2.12 119.66 126.46 1xsi s GLN 133 Ca -0.03 0.35 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 1xsi s GLN 133 Cb -0.15 -2.38 -0.14 0.00 1.00 0.00 0.00 33.01 31.35 1xsi s GLN 133 CO -0.05 -0.12 1.25 1.55 -2.12 0.00 0.00 175.29 175.80 1xsi n VAL 134 N -1.75 1.40 -0.94 1.09 3.14 -1.26 -0.82 118.33 119.19 1xsi n VAL 134 Ca 0.02 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1xsi n VAL 134 Cb 0.54 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 1xsi n VAL 134 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xsi n LYS 135 N 1.37 -0.43 -0.28 1.45 5.02 -1.26 -4.89 118.16 119.14 1xsi n LYS 135 Ca 0.10 0.11 0.11 0.00 -2.02 0.00 0.00 58.31 56.61 1xsi n LYS 135 Cb 0.31 -3.48 0.28 0.00 -0.02 0.00 0.00 35.03 32.12 1xsi n LYS 135 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xsi n ASN 136 N -0.22 3.42 -3.93 4.39 3.02 0.00 -4.92 115.26 117.03 1xsi n ASN 136 Ca 0.00 -1.98 -0.16 0.00 -0.03 0.00 0.00 54.58 52.41 1xsi n ASN 136 Cb 0.11 -0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 38.82 1xsi n ASN 136 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsi s ASN 137 N -1.18 0.96 0.00 6.41 2.20 -1.26 -0.32 114.94 121.75 1xsi s ASN 137 Ca 0.42 -1.53 0.00 0.00 -0.94 0.00 0.00 52.86 50.81 1xsi s ASN 137 Cb 0.23 0.42 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 1xsi s ASN 137 CO 0.30 -0.90 0.00 0.61 -2.94 0.00 0.00 177.10 174.17 1xsi n GLY 138 N -0.45 0.81 3.25 0.45 0.00 -0.69 -4.27 105.19 104.29 1xsi n GLY 138 Ca 0.03 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1xsi n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsi s TYR 139 N -3.19 2.43 -0.19 1.61 5.04 -0.32 -1.11 117.35 121.61 1xsi s TYR 139 Ca 0.00 -0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 53.83 1xsi s TYR 139 Cb 0.00 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.71 1xsi s TYR 139 CO 0.00 -0.26 -0.11 0.08 -1.34 0.00 0.00 175.55 173.92 1xsi s VAL 140 N -0.04 2.86 -0.45 3.14 1.01 0.29 -1.90 120.40 125.32 1xsi s VAL 140 Ca -0.07 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1xsi s VAL 140 Cb -0.15 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.02 1xsi s VAL 140 CO 0.05 0.48 0.39 -1.58 0.00 0.00 0.00 175.10 174.44 1xsi s GLN 141 N 1.27 3.01 -0.55 2.72 0.74 0.47 -0.15 119.66 127.16 1xsi s GLN 141 Ca 0.03 -1.12 -0.21 0.00 0.05 0.00 0.00 55.36 54.12 1xsi s GLN 141 Cb -0.14 -4.06 0.06 0.00 1.10 0.00 0.00 33.01 29.98 1xsi s GLN 141 CO -0.05 -0.93 0.76 0.34 -0.55 0.00 0.00 175.29 174.86 1xsi s ASP 142 N 2.20 6.24 0.38 6.67 -1.08 0.17 -1.28 116.67 129.97 1xsi s ASP 142 Ca 0.07 -0.88 0.27 0.00 -0.52 0.00 0.00 52.55 51.49 1xsi s ASP 142 Cb -0.21 -2.34 0.88 0.00 -1.46 0.00 0.00 42.92 39.79 1xsi s ASP 142 CO 0.09 -1.09 1.78 0.74 0.52 0.00 0.00 175.17 177.21 1xsi h THR 143 N 5.93 0.00 -0.02 1.71 2.02 -1.07 0.14 112.91 121.62 1xsi h THR 143 Ca -0.28 -0.58 -0.22 0.00 0.77 0.00 0.00 66.41 66.11 1xsi h THR 143 Cb 1.09 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1xsi h THR 143 CO 1.05 0.00 -0.90 0.78 0.37 0.00 0.00 175.52 176.82 1xsi h ASN 144 N 0.00 0.52 0.00 4.18 2.35 -1.90 -3.37 115.58 117.36 1xsi h ASN 144 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1xsi h ASN 144 Cb 0.67 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1xsi h ASN 144 CO 0.00 1.19 0.00 -0.46 -1.65 0.00 0.00 177.43 176.51 1xsi n ASN 145 N -3.76 1.05 -1.78 5.81 0.23 -1.18 -5.01 115.26 110.62 1xsi n ASN 145 Ca -0.06 -1.36 -0.18 0.00 -0.53 0.00 0.00 54.58 52.45 1xsi n ASN 145 Cb 0.81 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.47 1xsi n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsi n GLN 146 N -0.18 -1.36 -4.02 -3.83 3.00 0.44 -5.00 117.38 106.43 1xsi n GLN 146 Ca 0.00 0.98 -0.32 0.00 -0.01 0.00 0.00 57.00 57.65 1xsi n GLN 146 Cb 0.21 -5.39 -0.06 0.00 0.00 0.00 0.00 30.24 25.01 1xsi n GLN 146 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1xsi s ARG 147 N -4.34 3.12 -0.02 -1.09 0.52 -1.02 -4.92 118.95 111.20 1xsi s ARG 147 Ca 0.00 -0.54 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1xsi s ARG 147 Cb 0.00 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 1xsi s ARG 147 CO 0.00 0.61 -0.22 -0.80 0.02 0.00 0.00 175.30 174.91 1xsi s ASN 148 N -2.20 2.64 0.11 0.23 0.01 -1.26 0.43 114.94 114.91 1xsi s ASN 148 Ca 0.29 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 52.07 1xsi s ASN 148 Cb -0.12 -0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 1xsi s ASN 148 CO 0.21 0.27 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.64 1xsi s TYR 149 N -0.49 1.22 0.10 2.20 2.02 0.79 -2.95 117.35 120.24 1xsi s TYR 149 Ca 0.08 -0.62 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 1xsi s TYR 149 Cb -0.09 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1xsi s TYR 149 CO -0.01 0.07 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.28 1xsi s MET 150 N -2.84 2.06 0.06 -0.62 -1.94 -0.81 0.10 119.30 115.32 1xsi s MET 150 Ca 0.08 -1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 52.91 1xsi s MET 150 Cb -0.03 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.56 1xsi s MET 150 CO 0.01 0.51 0.24 -0.59 -0.01 0.00 0.00 175.02 175.18 1xsi s PHE 151 N -1.16 0.03 0.08 -0.03 -0.71 -0.26 -1.67 117.98 114.26 1xsi s PHE 151 Ca 0.20 -0.30 0.03 0.00 -1.04 0.00 0.00 56.93 55.81 1xsi s PHE 151 Cb -0.11 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 1xsi s PHE 151 CO 0.12 -0.51 -0.09 -2.00 -1.34 0.00 0.00 175.22 171.40 1xsi s GLU 152 N -3.08 0.77 -0.12 1.99 2.56 -0.44 -1.70 118.70 118.69 1xsi s GLU 152 Ca -0.01 -1.11 -0.01 0.00 0.00 0.00 0.00 54.97 53.84 1xsi s GLU 152 Cb 0.01 -0.40 0.03 0.00 2.00 0.00 0.00 34.13 35.77 1xsi s GLU 152 CO -0.07 0.05 -0.03 1.03 -0.56 0.00 0.00 175.26 175.69 1xsi s ARG 153 N -2.76 1.03 -0.17 4.30 0.52 0.56 -1.34 118.95 121.09 1xsi s ARG 153 Ca 0.03 -0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 54.93 1xsi s ARG 153 Cb -0.03 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.93 1xsi s ARG 153 CO -0.01 -0.36 0.33 -0.51 0.02 0.00 0.00 175.30 174.78 1xsi s LEU 154 N 1.82 4.21 0.53 2.53 1.43 -0.54 -4.36 118.68 124.30 1xsi s LEU 154 Ca 0.04 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 53.43 1xsi s LEU 154 Cb -0.13 -2.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 1xsi s LEU 154 CO -0.07 0.04 1.20 0.47 0.23 0.00 0.00 176.35 178.22 1xsi n ASP 155 N 3.88 1.97 -4.46 2.29 8.00 0.12 -1.14 116.55 127.22 1xsi n ASP 155 Ca -0.11 0.95 -0.33 0.00 0.71 0.00 0.00 54.79 56.02 1xsi n ASP 155 Cb 0.52 -1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 39.99 1xsi n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsi s LEU 156 N -2.52 2.82 0.72 0.64 1.43 0.30 -4.62 118.68 117.44 1xsi s LEU 156 Ca 0.71 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1xsi s LEU 156 Cb -0.44 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.26 1xsi s LEU 156 CO 0.50 0.28 1.01 -0.83 0.23 0.00 0.00 176.35 177.55 1xsi s GLY 157 N -0.33 1.74 0.06 -3.19 0.00 -1.26 -4.75 107.32 99.58 1xsi s GLY 157 Ca 0.03 -1.19 -0.35 0.00 0.00 0.00 0.00 44.72 43.21 1xsi s GLY 157 CO 0.02 -0.72 1.60 -0.62 0.00 0.00 0.00 173.10 173.38 1xsi n VAL 158 N -2.92 0.15 -0.98 1.40 0.31 -1.26 -1.73 118.33 113.30 1xsi n VAL 158 Ca 0.10 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1xsi n VAL 158 Cb 0.60 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1xsi n VAL 158 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsi n GLY 159 N 3.48 0.34 3.66 2.92 0.00 -1.26 -4.99 105.19 109.34 1xsi n GLY 159 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xsi n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsi s GLU 160 N -0.71 4.25 0.10 1.61 2.12 -0.70 -4.97 118.70 120.38 1xsi s GLU 160 Ca 0.00 1.05 0.07 0.00 0.36 0.00 0.00 54.97 56.45 1xsi s GLU 160 Cb 0.00 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1xsi s GLU 160 CO 0.00 -0.46 -0.10 0.95 -0.54 0.00 0.00 175.26 175.11 1xsi s THR 161 N 2.61 3.34 -0.04 -1.70 -4.23 -1.26 -4.82 115.64 109.54 1xsi s THR 161 Ca 0.38 -1.26 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 1xsi s THR 161 Cb -0.16 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1xsi s THR 161 CO 0.09 0.12 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.36 1xsi s VAL 162 N -1.20 2.11 0.10 2.29 1.01 -1.26 -2.02 120.40 121.43 1xsi s VAL 162 Ca 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1xsi s VAL 162 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1xsi s VAL 162 CO 0.13 0.58 -0.02 -0.31 0.00 0.00 0.00 175.10 175.48 1xsi s TYR 163 N -0.42 0.79 0.00 5.22 2.02 -0.22 -0.72 117.35 124.02 1xsi s TYR 163 Ca 0.04 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.69 1xsi s TYR 163 Cb -0.12 -0.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1xsi s TYR 163 CO 0.01 -0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 1xsi n GLY 164 N -0.02 1.04 2.17 0.71 0.00 -1.26 -1.83 105.19 106.00 1xsi n GLY 164 Ca -0.11 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 1xsi n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsi n LEU 165 N 0.00 -0.76 0.00 0.99 4.77 0.00 -4.81 117.00 117.19 1xsi n LEU 165 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1xsi n LEU 165 Cb 0.00 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 1xsi n LEU 165 CO 0.00 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1xsi n GLY 166 N -1.78 -1.34 3.46 -0.72 0.00 -1.24 -3.38 105.19 100.20 1xsi n GLY 166 Ca -0.07 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 1xsi n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsi s GLU 167 N 0.00 3.12 0.25 1.61 2.12 -0.25 -3.80 118.70 121.75 1xsi s GLU 167 Ca 0.00 -0.78 0.12 0.00 0.36 0.00 0.00 54.97 54.67 1xsi s GLU 167 Cb 0.00 -4.22 -0.05 0.00 0.26 0.00 0.00 34.13 30.12 1xsi s GLU 167 CO 0.00 -1.85 -0.20 1.03 -0.54 0.00 0.00 175.26 173.71 1xsi s ARG 168 N 4.22 1.69 0.00 4.30 0.52 -1.26 -4.49 118.95 123.93 1xsi s ARG 168 Ca 0.23 -1.67 0.04 0.00 -0.52 0.00 0.00 55.73 53.82 1xsi s ARG 168 Cb -0.16 -1.83 0.03 0.00 0.52 0.00 0.00 34.95 33.52 1xsi s ARG 168 CO 0.11 0.35 0.63 1.19 0.02 0.00 0.00 175.30 177.60 1xsi n PHE 169 N -0.38 0.00 -1.07 -0.53 3.72 -1.26 -2.85 117.46 115.09 1xsi n PHE 169 Ca -0.07 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.18 1xsi n PHE 169 Cb 0.59 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.25 1xsi n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsi n THR 170 N 0.23 0.00 -1.58 4.37 -2.24 -1.26 -4.83 114.28 108.96 1xsi n THR 170 Ca 0.02 -0.35 -0.46 0.00 -2.27 0.00 0.00 64.05 60.99 1xsi n THR 170 Cb 0.10 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 66.93 1xsi n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xsi n ALA 171 N -3.74 -0.51 -0.06 6.98 0.00 -1.26 -4.89 120.51 117.02 1xsi n ALA 171 Ca -0.11 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.68 1xsi n ALA 171 Cb 0.30 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 1xsi n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xsi h LEU 172 N 2.57 -0.62 -9.32 0.00 5.85 -1.92 -3.38 115.31 108.49 1xsi h LEU 172 Ca -0.41 0.13 -0.55 0.00 0.84 0.00 0.00 57.88 57.89 1xsi h LEU 172 Cb 1.34 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 1xsi h LEU 172 CO 0.65 -0.23 0.43 -0.69 -0.34 0.00 0.00 178.44 178.26 1xsi s VAL 173 N -6.13 4.85 -0.52 1.05 1.01 -1.26 -4.62 120.40 114.77 1xsi s VAL 173 Ca -0.14 1.96 0.25 0.00 0.00 0.00 0.00 61.98 64.04 1xsi s VAL 173 Cb 0.13 -4.27 0.32 0.00 0.00 0.00 0.00 36.38 32.55 1xsi s VAL 173 CO 0.69 0.09 1.71 0.03 0.00 0.00 0.00 175.10 177.62 1xsi h ARG 174 N 6.98 0.00 -6.51 2.72 -0.00 -1.11 -3.46 114.38 112.99 1xsi h ARG 174 Ca -0.35 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.55 1xsi h ARG 174 Cb 1.18 0.00 0.05 0.00 0.00 0.00 0.00 29.97 31.20 1xsi h ARG 174 CO 0.81 0.00 0.88 0.09 0.00 0.00 0.00 179.97 181.74 1xsi n ASN 175 N -2.70 3.34 0.00 7.04 4.13 -1.26 -1.23 115.26 124.58 1xsi n ASN 175 Ca 0.04 1.06 0.00 0.00 1.68 0.00 0.00 54.58 57.37 1xsi n ASN 175 Cb 0.45 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.24 1xsi n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsi n GLY 176 N 3.64 0.22 3.68 7.41 0.00 0.24 -4.99 105.19 115.39 1xsi n GLY 176 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1xsi n GLY 176 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xsi s GLN 177 N -0.98 2.73 0.04 1.61 -0.21 -0.36 -4.58 119.66 117.92 1xsi s GLN 177 Ca 0.00 -0.66 -0.16 0.00 0.02 0.00 0.00 55.36 54.56 1xsi s GLN 177 Cb 0.00 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.31 1xsi s GLN 177 CO 0.00 0.60 0.48 -0.08 -2.12 0.00 0.00 175.29 174.17 1xsi s THR 178 N -1.14 4.92 -0.04 -0.19 -1.32 -1.26 -1.73 115.64 114.88 1xsi s THR 178 Ca 0.21 0.94 0.01 0.00 -1.21 0.00 0.00 61.69 61.64 1xsi s THR 178 Cb -0.12 -3.77 0.02 0.00 -1.51 0.00 0.00 72.50 67.13 1xsi s THR 178 CO 0.12 0.52 -0.03 0.68 -2.21 0.00 0.00 174.62 173.71 1xsi s VAL 179 N -1.15 0.39 -0.24 5.08 -7.23 -0.00 -4.99 120.40 112.26 1xsi s VAL 179 Ca 0.27 -0.03 -0.08 0.00 -1.81 0.00 0.00 61.98 60.33 1xsi s VAL 179 Cb -0.17 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 1xsi s VAL 179 CO 0.16 0.20 0.10 -1.61 -0.31 0.00 0.00 175.10 173.64 1xsi s GLU 180 N 1.01 3.80 -0.96 4.82 0.41 -1.26 0.05 118.70 126.58 1xsi s GLU 180 Ca -0.10 -0.41 -0.19 0.00 -0.41 0.00 0.00 54.97 53.87 1xsi s GLU 180 Cb -0.14 -3.39 0.13 0.00 -1.78 0.00 0.00 34.13 28.95 1xsi s GLU 180 CO -0.01 -0.08 1.17 0.95 -0.49 0.00 0.00 175.26 176.80 1xsi s THR 181 N 1.37 4.69 -0.22 3.63 -4.23 0.14 -4.88 115.64 116.14 1xsi s THR 181 Ca 0.06 -1.60 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1xsi s THR 181 Cb -0.15 -4.81 0.11 0.00 1.34 0.00 0.00 72.50 69.00 1xsi s THR 181 CO 0.05 -1.54 0.34 0.86 -0.54 0.00 0.00 174.62 173.79 1xsi s TRP 182 N 2.77 -0.68 0.31 3.99 -0.11 -1.26 -3.74 118.94 120.21 1xsi s TRP 182 Ca 0.34 0.81 -0.29 0.00 1.22 0.00 0.00 56.10 58.18 1xsi s TRP 182 Cb -0.04 -0.03 -0.12 0.00 -1.50 0.00 0.00 33.47 31.78 1xsi s TRP 182 CO -0.09 -0.64 1.52 0.09 -4.62 0.00 0.00 176.95 173.21 1xsi n ASN 183 N 5.36 3.61 -3.93 5.86 3.02 -1.26 -4.68 115.26 123.23 1xsi n ASN 183 Ca -0.05 1.17 -0.09 0.00 -0.03 0.00 0.00 54.58 55.59 1xsi n ASN 183 Cb 0.50 -1.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.01 1xsi n ASN 183 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xsi s ARG 184 N -1.03 0.63 -0.96 3.52 0.52 -0.63 -4.65 118.95 116.35 1xsi s ARG 184 Ca 0.61 -0.84 -0.14 0.00 -0.52 0.00 0.00 55.73 54.85 1xsi s ARG 184 Cb -0.52 0.25 0.21 0.00 0.52 0.00 0.00 34.95 35.41 1xsi s ARG 184 CO 0.54 -0.16 1.00 0.34 0.02 0.00 0.00 175.30 177.03 1xsi s ASP 185 N -2.33 6.91 -0.14 0.23 2.15 -1.26 -3.30 116.67 118.92 1xsi s ASP 185 Ca -0.02 -2.82 0.18 0.00 0.43 0.00 0.00 52.55 50.32 1xsi s ASP 185 Cb 0.01 -2.27 0.33 0.00 -0.30 0.00 0.00 42.92 40.69 1xsi s ASP 185 CO -0.06 -0.62 1.19 0.61 -0.17 0.00 0.00 175.17 176.12 1xsi n GLY 186 N 3.98 4.82 7.00 2.66 0.00 -1.26 -5.11 105.19 117.28 1xsi n GLY 186 Ca 0.21 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1xsi n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsi n GLY 187 N -1.31 0.18 0.17 -0.02 0.00 -1.26 -4.34 105.19 98.61 1xsi n GLY 187 Ca 0.17 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.27 1xsi n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsi n THR 188 N 0.00 0.31 0.17 2.61 -2.24 -1.24 -4.74 114.28 109.15 1xsi n THR 188 Ca 0.00 -0.66 0.08 0.00 -2.27 0.00 0.00 64.05 61.21 1xsi n THR 188 Cb 0.00 0.90 0.15 0.00 -2.10 0.00 0.00 70.33 69.28 1xsi n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsi n SER 189 N 0.09 2.88 -1.94 3.42 7.64 -1.26 -4.72 113.62 119.74 1xsi n SER 189 Ca 0.03 -1.85 -0.05 0.00 1.01 0.00 0.00 58.87 58.01 1xsi n SER 189 Cb 0.16 -0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 1xsi n SER 189 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xsi n THR 190 N 0.94 0.00 1.04 0.44 -2.24 -1.26 -5.03 114.28 108.17 1xsi n THR 190 Ca 0.13 -0.47 0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1xsi n THR 190 Cb 0.46 0.17 0.59 0.00 -2.10 0.00 0.00 70.33 69.44 1xsi n THR 190 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xsi n GLU 191 N -0.18 0.19 -2.05 -0.78 0.00 -1.26 -4.41 120.64 112.15 1xsi n GLU 191 Ca -0.01 0.06 -0.31 0.00 0.00 0.00 0.00 57.16 56.90 1xsi n GLU 191 Cb 0.12 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.06 1xsi n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsi s GLN 192 N -2.77 3.67 -0.03 3.44 -0.21 -1.26 -4.91 119.66 117.58 1xsi s GLN 192 Ca 0.18 0.75 -0.02 0.00 0.02 0.00 0.00 55.36 56.29 1xsi s GLN 192 Cb 0.17 -2.12 0.02 0.00 1.00 0.00 0.00 33.01 32.07 1xsi s GLN 192 CO 0.42 -0.47 0.07 0.00 -2.12 0.00 0.00 175.29 173.19 1xsi s ALA 193 N -3.02 -0.14 0.25 6.09 0.00 -1.26 -4.69 121.76 118.99 1xsi s ALA 193 Ca 0.55 0.28 0.14 0.00 0.00 0.00 0.00 51.96 52.93 1xsi s ALA 193 Cb -0.11 -0.18 0.54 0.00 0.00 0.00 0.00 23.12 23.37 1xsi s ALA 193 CO 0.48 -0.06 1.69 1.88 0.00 0.00 0.00 175.76 179.75 1xsi h TYR 194 N 6.43 0.00 -3.07 0.00 0.05 -1.79 -1.66 116.97 116.92 1xsi h TYR 194 Ca -0.31 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.86 1xsi h TYR 194 Cb 1.18 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.52 1xsi h TYR 194 CO 0.43 0.49 -0.72 0.15 -1.05 0.00 0.00 178.16 177.46 1xsi s LYS 195 N -3.70 1.40 -0.02 4.88 1.02 -1.26 -3.72 119.74 118.35 1xsi s LYS 195 Ca -0.01 -2.10 -0.02 0.00 0.02 0.00 0.00 55.97 53.86 1xsi s LYS 195 Cb 0.12 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1xsi s LYS 195 CO 0.73 -1.15 0.13 -0.80 -0.92 0.00 0.00 175.35 173.34 1xsi s ASN 196 N 0.26 6.03 -0.10 2.83 0.01 -1.25 -1.09 114.94 121.63 1xsi s ASN 196 Ca 0.17 0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 52.55 1xsi s ASN 196 Cb -0.25 -1.83 0.05 0.00 0.41 0.00 0.00 41.25 39.64 1xsi s ASN 196 CO 0.00 0.28 0.19 -0.63 -1.51 0.00 0.00 177.10 175.43 1xsi s ILE 197 N -1.23 -0.29 0.00 0.60 -1.09 -1.22 -4.38 121.20 113.59 1xsi s ILE 197 Ca 0.24 0.32 -0.04 0.00 -2.23 0.00 0.00 60.65 58.94 1xsi s ILE 197 Cb -0.12 -0.34 -0.19 0.00 -1.58 0.00 0.00 42.46 40.23 1xsi s ILE 197 CO 0.15 0.13 3.01 -0.81 -1.23 0.00 0.00 174.94 176.20 1xsi n PRO 198 N 5.25 1.62 -4.90 2.79 -0.04 -1.26 -3.68 135.00 134.78 1xsi n PRO 198 Ca -0.07 -0.70 -0.27 0.00 -0.04 0.00 0.00 63.50 62.43 1xsi n PRO 198 Cb 0.50 -1.74 -0.16 0.00 -0.04 0.00 0.00 33.50 32.06 1xsi n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsi s PHE 199 N 0.91 1.84 0.25 0.54 5.36 -1.26 -0.70 117.98 124.92 1xsi s PHE 199 Ca 0.47 -0.56 0.03 0.00 -0.96 0.00 0.00 56.93 55.91 1xsi s PHE 199 Cb 0.22 -1.24 -0.05 0.00 -0.34 0.00 0.00 43.02 41.61 1xsi s PHE 199 CO 0.00 -0.20 0.03 1.52 -1.46 0.00 0.00 175.22 175.11 1xsi s TYR 200 N 0.08 1.59 0.07 10.12 -0.85 -0.78 -0.82 117.35 126.76 1xsi s TYR 200 Ca -0.06 -0.99 -0.06 0.00 -0.52 0.00 0.00 57.07 55.45 1xsi s TYR 200 Cb -0.13 -0.94 -0.02 0.00 0.38 0.00 0.00 41.96 41.26 1xsi s TYR 200 CO 0.03 -0.11 0.11 0.00 -1.52 0.00 0.00 175.55 174.06 1xsi s MET 201 N -3.91 0.75 0.37 -3.49 0.23 -0.76 -0.32 119.30 112.18 1xsi s MET 201 Ca 0.31 -1.05 0.06 0.00 -1.03 0.00 0.00 55.69 53.98 1xsi s MET 201 Cb 0.07 0.29 -0.07 0.00 -1.53 0.00 0.00 34.83 33.59 1xsi s MET 201 CO 0.10 -0.21 0.02 0.95 -2.03 0.00 0.00 175.02 173.85 1xsi s THR 202 N -3.86 1.71 -2.00 3.16 -4.23 -0.74 -1.05 115.64 108.63 1xsi s THR 202 Ca 0.05 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 1xsi s THR 202 Cb 0.06 -2.87 0.20 0.00 1.34 0.00 0.00 72.50 71.23 1xsi s THR 202 CO -0.11 -0.03 1.14 -0.46 -0.54 0.00 0.00 174.62 174.62 1xsi n ASN 203 N -0.83 0.00 -0.77 3.99 6.94 -0.86 -2.34 115.26 121.38 1xsi n ASN 203 Ca -0.04 -1.47 0.10 0.00 -0.02 0.00 0.00 54.58 53.15 1xsi n ASN 203 Cb 0.66 0.00 0.28 0.00 -2.36 0.00 0.00 39.78 38.36 1xsi n ASN 203 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xsi n ARG 204 N -0.63 2.00 -2.63 -3.83 1.74 -1.26 -4.98 116.66 107.06 1xsi n ARG 204 Ca 0.05 -1.52 -0.10 0.00 -0.77 0.00 0.00 57.85 55.52 1xsi n ARG 204 Cb 0.02 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.08 1xsi n ARG 204 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsi n GLY 205 N 1.24 0.19 3.37 -0.13 0.00 -0.99 -4.92 105.19 103.95 1xsi n GLY 205 Ca 0.16 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1xsi n GLY 205 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xsi s TYR 206 N -2.85 1.67 0.11 1.61 -0.85 -1.26 -1.13 117.35 114.66 1xsi s TYR 206 Ca 0.15 -1.19 -0.01 0.00 -0.52 0.00 0.00 57.07 55.50 1xsi s TYR 206 Cb -0.06 -1.00 -0.04 0.00 0.38 0.00 0.00 41.96 41.23 1xsi s TYR 206 CO 0.18 -0.30 0.03 0.20 -1.52 0.00 0.00 175.55 174.14 1xsi s GLY 207 N -3.40 0.85 -0.04 5.49 0.00 -0.21 -1.79 107.32 108.22 1xsi s GLY 207 Ca 0.35 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 1xsi s GLY 207 CO 0.15 -1.36 0.09 -1.34 0.00 0.00 0.00 173.10 170.64 1xsi s VAL 208 N -3.99 -0.02 -0.23 1.40 -7.23 0.57 -0.67 120.40 110.24 1xsi s VAL 208 Ca 0.19 0.08 -0.04 0.00 -1.81 0.00 0.00 61.98 60.40 1xsi s VAL 208 Cb 0.08 -0.14 -0.01 0.00 0.56 0.00 0.00 36.38 36.86 1xsi s VAL 208 CO -0.02 0.03 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.55 1xsi s LEU 209 N 0.47 2.96 -0.31 1.32 2.96 -0.24 -1.86 118.68 123.99 1xsi s LEU 209 Ca -0.04 -0.41 -0.25 0.00 -0.22 0.00 0.00 54.13 53.21 1xsi s LEU 209 Cb -0.05 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1xsi s LEU 209 CO -0.02 -0.03 0.88 -0.69 -1.32 0.00 0.00 176.35 175.17 1xsi s VAL 210 N 1.48 4.71 -1.46 1.68 1.01 0.13 0.42 120.40 128.36 1xsi s VAL 210 Ca 0.06 1.38 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 1xsi s VAL 210 Cb -0.14 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.04 1xsi s VAL 210 CO -0.03 -0.30 2.59 -3.20 0.00 0.00 0.00 175.10 174.16 1xsi n ASN 211 N 6.38 7.84 -3.36 3.32 5.15 0.18 -4.76 115.26 130.01 1xsi n ASN 211 Ca 0.06 -2.87 -0.10 0.00 -0.60 0.00 0.00 54.58 51.08 1xsi n ASN 211 Cb 0.48 -1.48 -0.08 0.00 -0.53 0.00 0.00 39.78 38.17 1xsi n ASN 211 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xsi s HIS 212 N 0.74 -0.79 -0.02 1.20 3.76 -1.26 -4.78 115.29 114.13 1xsi s HIS 212 Ca 0.59 0.76 0.32 0.00 -0.15 0.00 0.00 55.06 56.57 1xsi s HIS 212 Cb 0.17 -0.02 1.21 0.00 1.11 0.00 0.00 32.58 35.05 1xsi s HIS 212 CO -0.07 -0.73 1.92 -1.35 -0.85 0.00 0.00 174.74 173.66 1xsi h PRO 213 N 8.19 0.00 0.00 8.40 0.11 -1.90 -3.43 132.00 143.37 1xsi h PRO 213 Ca -0.19 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.55 1xsi h PRO 213 Cb 1.15 0.00 0.20 0.00 0.11 0.00 0.00 31.00 32.46 1xsi h PRO 213 CO 0.27 0.00 0.01 1.04 -0.21 0.00 0.00 178.00 179.11 1xsi n GLN 214 N -3.01 -3.71 -1.77 1.05 3.00 -1.26 -4.40 117.38 107.29 1xsi n GLN 214 Ca 0.01 -1.57 -0.42 0.00 -0.01 0.00 0.00 57.00 55.01 1xsi n GLN 214 Cb 0.33 -1.66 -0.03 0.00 0.00 0.00 0.00 30.24 28.88 1xsi n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsi s VAL 216 N 1.08 3.47 -0.36 0.00 1.01 -1.25 -4.65 120.40 119.70 1xsi s VAL 216 Ca 0.73 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 1xsi s VAL 216 Cb -0.49 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.47 1xsi s VAL 216 CO 0.33 0.54 0.17 -0.55 0.00 0.00 0.00 175.10 175.58 1xsi s SER 217 N 0.01 5.53 -0.20 3.32 0.15 -0.73 -0.69 113.70 121.09 1xsi s SER 217 Ca -0.02 -1.13 -0.09 0.00 0.70 0.00 0.00 55.95 55.41 1xsi s SER 217 Cb -0.14 -1.95 -0.05 0.00 -1.71 0.00 0.00 66.02 62.18 1xsi s SER 217 CO 0.03 -0.38 0.11 -0.36 1.20 0.00 0.00 173.24 173.84 1xsi s PHE 218 N 1.47 3.33 -0.37 3.44 0.40 0.11 -1.51 117.98 124.84 1xsi s PHE 218 Ca 0.00 0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1xsi s PHE 218 Cb -0.20 -2.15 0.09 0.00 0.51 0.00 0.00 43.02 41.27 1xsi s PHE 218 CO 0.04 0.19 0.14 -1.21 0.70 0.00 0.00 175.22 175.08 1xsi s GLU 219 N 0.51 2.04 -0.87 0.44 0.41 0.13 -0.82 118.70 120.54 1xsi s GLU 219 Ca 0.06 -1.69 -0.15 0.00 -0.41 0.00 0.00 54.97 52.78 1xsi s GLU 219 Cb -0.12 -3.44 0.19 0.00 -1.78 0.00 0.00 34.13 28.98 1xsi s GLU 219 CO -0.00 -0.95 0.89 0.08 -0.49 0.00 0.00 175.26 174.79 1xsi s VAL 220 N 1.14 5.35 -1.11 2.63 1.01 -0.70 -0.48 120.40 128.24 1xsi s VAL 220 Ca 0.05 -2.22 0.00 0.00 0.00 0.00 0.00 61.98 59.81 1xsi s VAL 220 Cb -0.22 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.59 1xsi s VAL 220 CO -0.04 -1.18 0.00 0.61 0.00 0.00 0.00 175.10 174.49 1xsi n GLY 221 N 4.41 0.03 0.00 4.51 0.00 -0.47 0.79 105.19 114.46 1xsi n GLY 221 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1xsi n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsi n SER 222 N -1.33 0.72 0.01 1.61 3.41 -1.26 -3.75 113.62 113.03 1xsi n SER 222 Ca -0.14 -0.47 -0.02 0.00 -0.26 0.00 0.00 58.87 57.99 1xsi n SER 222 Cb 0.54 1.45 -0.01 0.00 -0.26 0.00 0.00 64.21 65.93 1xsi n SER 222 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xsi n GLU 223 N -1.81 0.12 -3.55 4.33 2.13 -1.26 -4.93 120.64 115.67 1xsi n GLU 223 Ca -0.00 0.05 -0.40 0.00 0.66 0.00 0.00 57.16 57.46 1xsi n GLU 223 Cb 0.40 -0.62 -0.11 0.00 0.27 0.00 0.00 31.44 31.38 1xsi n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsi s LYS 224 N -1.95 3.41 0.45 5.31 -0.14 -1.26 -4.98 119.74 120.58 1xsi s LYS 224 Ca -0.07 -0.70 0.21 0.00 -1.36 0.00 0.00 55.97 54.06 1xsi s LYS 224 Cb 0.01 -3.78 1.08 0.00 -1.68 0.00 0.00 37.83 33.46 1xsi s LYS 224 CO 0.10 -0.47 1.94 -0.39 -0.76 0.00 0.00 175.35 175.77 1xsi h VAL 225 N 5.54 0.84 -0.77 3.17 -1.51 -1.92 -2.44 116.25 119.15 1xsi h VAL 225 Ca -0.31 -0.90 -0.36 0.00 -1.23 0.00 0.00 66.70 63.90 1xsi h VAL 225 Cb 1.15 1.54 -0.22 0.00 -2.13 0.00 0.00 31.29 31.63 1xsi h VAL 225 CO 0.64 0.23 0.39 -1.54 -1.23 0.00 0.00 177.57 176.05 1xsi n SER 226 N -3.79 3.69 -3.88 4.19 3.41 -1.26 -4.49 113.62 111.49 1xsi n SER 226 Ca -0.02 -3.55 -0.10 0.00 -0.26 0.00 0.00 58.87 54.94 1xsi n SER 226 Cb 0.33 -0.76 -0.09 0.00 -0.26 0.00 0.00 64.21 63.42 1xsi n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xsi s LYS 227 N -3.21 0.59 -0.35 4.33 1.02 -0.92 -0.54 119.74 120.66 1xsi s LYS 227 Ca 0.53 -0.59 -0.15 0.00 0.02 0.00 0.00 55.97 55.79 1xsi s LYS 227 Cb 0.45 0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.99 1xsi s LYS 227 CO 0.09 -0.15 0.33 0.08 -0.92 0.00 0.00 175.35 174.77 1xsi s VAL 228 N -2.17 5.20 -0.15 3.17 1.01 -0.29 -1.37 120.40 125.79 1xsi s VAL 228 Ca -0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 1xsi s VAL 228 Cb -0.03 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1xsi s VAL 228 CO -0.02 -0.10 0.18 -1.58 0.00 0.00 0.00 175.10 173.57 1xsi s GLN 229 N 1.92 3.91 0.02 2.72 0.74 0.37 -1.47 119.66 127.87 1xsi s GLN 229 Ca 0.10 -0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.45 1xsi s GLN 229 Cb -0.17 -3.32 -0.02 0.00 1.10 0.00 0.00 33.01 30.60 1xsi s GLN 229 CO 0.11 0.49 -0.12 -0.59 -0.55 0.00 0.00 175.29 174.64 1xsi s PHE 230 N -0.22 1.01 0.05 1.67 -0.12 -0.45 0.21 117.98 120.12 1xsi s PHE 230 Ca 0.13 -0.31 -0.01 0.00 -0.05 0.00 0.00 56.93 56.69 1xsi s PHE 230 Cb -0.12 -0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 1xsi s PHE 230 CO 0.02 0.00 -0.03 -1.54 -0.05 0.00 0.00 175.22 173.62 1xsi s SER 231 N -0.90 0.46 -0.10 1.98 1.04 -0.57 -1.33 113.70 114.27 1xsi s SER 231 Ca 0.00 -0.90 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 1xsi s SER 231 Cb -0.07 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1xsi s SER 231 CO 0.01 -0.53 0.42 0.54 0.98 0.00 0.00 173.24 174.65 1xsi s VAL 232 N -3.41 0.02 -0.62 5.02 0.11 -0.67 -1.78 120.40 119.07 1xsi s VAL 232 Ca 0.02 -0.16 -0.27 0.00 -2.93 0.00 0.00 61.98 58.65 1xsi s VAL 232 Cb 0.04 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1xsi s VAL 232 CO -0.08 -0.09 1.17 -0.70 -3.33 0.00 0.00 175.10 172.07 1xsi s GLU 233 N -0.45 3.38 -0.19 1.54 2.12 -1.26 -1.93 118.70 121.91 1xsi s GLU 233 Ca -0.06 -0.01 -0.31 0.00 0.36 0.00 0.00 54.97 54.96 1xsi s GLU 233 Cb -0.03 -4.07 0.15 0.00 0.26 0.00 0.00 34.13 30.43 1xsi s GLU 233 CO 0.03 -1.78 1.15 0.45 -0.54 0.00 0.00 175.26 174.57 1xsi s SER 234 N 3.18 -0.21 0.00 -1.70 0.15 -1.15 -4.98 113.70 108.98 1xsi s SER 234 Ca 0.38 0.16 0.29 0.00 0.70 0.00 0.00 55.95 57.49 1xsi s SER 234 Cb -0.09 0.19 1.37 0.00 -1.71 0.00 0.00 66.02 65.78 1xsi s SER 234 CO 0.21 -0.24 1.95 -0.62 1.20 0.00 0.00 173.24 175.74 1xsi n GLU 235 N 0.39 0.55 -3.96 5.44 -0.58 -1.26 -3.51 120.64 117.72 1xsi n GLU 235 Ca -0.04 -0.11 -0.09 0.00 -0.42 0.00 0.00 57.16 56.49 1xsi n GLU 235 Cb 0.59 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.86 1xsi n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsi s TYR 236 N -2.52 0.23 -0.13 -0.32 -0.85 -1.26 -0.08 117.35 112.42 1xsi s TYR 236 Ca 0.29 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1xsi s TYR 236 Cb 0.20 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.35 1xsi s TYR 236 CO 0.47 -0.29 -0.14 -1.17 -1.52 0.00 0.00 175.55 172.90 1xsi s LEU 237 N -1.86 2.65 -0.07 -3.49 2.96 0.19 -4.84 118.68 114.23 1xsi s LEU 237 Ca -0.09 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1xsi s LEU 237 Cb -0.04 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1xsi s LEU 237 CO -0.03 0.15 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.34 1xsi s GLU 238 N 0.43 1.64 0.04 1.98 2.12 -1.26 0.66 118.70 124.32 1xsi s GLU 238 Ca -0.10 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 1xsi s GLU 238 Cb -0.16 -1.40 -0.01 0.00 0.26 0.00 0.00 34.13 32.83 1xsi s GLU 238 CO 0.05 -0.01 0.14 1.52 -0.54 0.00 0.00 175.26 176.42 1xsi s TYR 239 N 0.79 0.15 -0.13 5.30 1.13 -0.53 0.51 117.35 124.57 1xsi s TYR 239 Ca -0.12 -0.43 0.01 0.00 -1.41 0.00 0.00 57.07 55.11 1xsi s TYR 239 Cb -0.15 -0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1xsi s TYR 239 CO 0.02 -0.40 -0.16 -0.06 -2.51 0.00 0.00 175.55 172.44 1xsi s PHE 240 N -2.70 2.75 -0.14 -3.49 0.08 0.17 -0.65 117.98 114.00 1xsi s PHE 240 Ca -0.04 -0.80 -0.16 0.00 0.12 0.00 0.00 56.93 56.05 1xsi s PHE 240 Cb -0.01 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1xsi s PHE 240 CO -0.05 -0.31 0.38 0.08 -0.10 0.00 0.00 175.22 175.23 1xsi s VAL 241 N 0.44 5.25 -0.26 -0.44 1.01 0.31 -1.08 120.40 125.64 1xsi s VAL 241 Ca -0.11 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.63 1xsi s VAL 241 Cb -0.16 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1xsi s VAL 241 CO 0.05 0.36 -0.07 -0.63 0.00 0.00 0.00 175.10 174.81 1xsi s ILE 242 N 0.56 1.90 0.74 2.22 1.01 0.16 -1.32 121.20 126.47 1xsi s ILE 242 Ca 0.21 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.18 1xsi s ILE 242 Cb -0.14 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.25 1xsi s ILE 242 CO 0.07 -0.13 1.15 -0.62 0.00 0.00 0.00 174.94 175.41 1xsi s ASP 243 N 1.21 4.36 0.00 3.58 2.15 -0.28 -1.04 116.67 126.65 1xsi s ASP 243 Ca -0.05 2.15 0.00 0.00 0.43 0.00 0.00 52.55 55.08 1xsi s ASP 243 Cb -0.19 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1xsi s ASP 243 CO -0.06 -2.14 0.00 0.61 -0.17 0.00 0.00 175.17 173.41 1xsi n GLY 244 N -0.13 0.03 1.07 2.66 0.00 -0.28 -4.00 105.19 104.55 1xsi n GLY 244 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1xsi n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xsi n PRO 245 N 0.00 2.70 -4.24 1.61 -0.04 -1.26 -4.69 135.00 129.08 1xsi n PRO 245 Ca 0.00 -1.65 -0.23 0.00 -0.04 0.00 0.00 63.50 61.58 1xsi n PRO 245 Cb 0.00 -1.69 -0.07 0.00 -0.04 0.00 0.00 33.50 31.70 1xsi n PRO 245 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xsi s THR 246 N -1.77 3.11 0.28 0.52 -4.23 -1.26 -4.20 115.64 108.09 1xsi s THR 246 Ca 0.29 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1xsi s THR 246 Cb 0.20 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.45 1xsi s THR 246 CO 0.13 -0.27 1.85 -0.65 -0.54 0.00 0.00 174.62 175.14 1xsi h PRO 247 N 1.76 0.99 -0.74 3.99 0.11 -1.87 -0.19 132.00 136.06 1xsi h PRO 247 Ca -0.44 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1xsi h PRO 247 Cb 1.25 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1xsi h PRO 247 CO 0.63 0.66 0.39 0.87 -0.21 0.00 0.00 178.00 180.33 1xsi h LYS 248 N 1.02 1.04 -0.20 1.05 1.57 -1.97 -1.35 116.57 117.73 1xsi h LYS 248 Ca 0.47 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.96 1xsi h LYS 248 Cb 0.41 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1xsi h LYS 248 CO -0.23 0.79 -0.53 0.00 -0.57 0.00 0.00 179.45 178.90 1xsi h ALA 249 N 1.20 0.70 -0.01 3.86 0.00 -1.74 -1.37 119.26 121.89 1xsi h ALA 249 Ca 0.26 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xsi h ALA 249 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xsi h ALA 249 CO -0.04 0.68 -0.06 0.28 0.00 0.00 0.00 179.25 180.12 1xsi h VAL 250 N 0.45 0.85 -0.24 0.00 2.07 -0.94 -1.85 116.25 116.59 1xsi h VAL 250 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1xsi h VAL 250 Cb 1.08 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1xsi h VAL 250 CO 0.10 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.78 1xsi h LEU 251 N -0.09 0.25 0.16 2.57 3.38 -1.06 0.28 115.31 120.80 1xsi h LEU 251 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xsi h LEU 251 Cb 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xsi h LEU 251 CO -0.07 0.18 -0.08 -0.78 0.09 0.00 0.00 178.44 177.78 1xsi h ASP 252 N 0.29 -0.19 -0.88 -0.43 1.82 -0.92 0.10 116.42 116.22 1xsi h ASP 252 Ca 0.09 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.48 1xsi h ASP 252 Cb 0.02 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.04 1xsi h ASP 252 CO -0.02 0.15 0.49 0.03 -1.61 0.00 0.00 179.24 178.28 1xsi h ARG 253 N -0.54 1.22 -0.35 0.28 3.08 -0.96 0.16 114.38 117.28 1xsi h ARG 253 Ca -0.02 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 1xsi h ARG 253 Cb 0.41 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1xsi h ARG 253 CO 0.04 0.89 0.08 -0.92 -1.07 0.00 0.00 179.97 178.98 1xsi h TYR 254 N 1.23 0.59 0.00 3.04 3.20 -0.32 0.32 116.97 125.03 1xsi h TYR 254 Ca 0.31 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 1xsi h TYR 254 Cb 0.01 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1xsi h TYR 254 CO 0.01 0.60 -0.44 1.79 -1.64 0.00 0.00 178.16 178.48 1xsi h THR 255 N 0.41 0.84 -0.17 1.81 1.35 -0.71 0.61 112.91 117.04 1xsi h THR 255 Ca 0.11 -1.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.05 1xsi h THR 255 Cb 0.31 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1xsi h THR 255 CO 0.00 0.43 0.09 -0.09 -0.25 0.00 0.00 175.52 175.70 1xsi h ARG 256 N 0.00 0.25 -0.59 4.72 2.43 -0.76 0.13 114.38 120.56 1xsi h ARG 256 Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xsi h ARG 256 Cb 1.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1xsi h ARG 256 CO 0.06 0.27 0.36 0.35 -1.51 0.00 0.00 179.97 179.50 1xsi h PHE 257 N 0.16 0.76 0.00 2.20 3.57 -0.85 -3.37 116.94 119.41 1xsi h PHE 257 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xsi h PHE 257 Cb 0.10 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1xsi h PHE 257 CO -0.03 0.51 -0.38 0.25 -2.23 0.00 0.00 178.31 176.44 1xsi n THR 258 N -4.64 0.00 0.00 4.41 -2.24 0.20 -0.47 114.28 111.54 1xsi n THR 258 Ca 0.04 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1xsi n THR 258 Cb 0.05 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1xsi n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsi n GLY 259 N 1.21 4.28 3.76 3.38 0.00 0.44 -3.92 105.19 114.35 1xsi n GLY 259 Ca 0.01 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1xsi n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xsi s ARG 260 N -4.86 4.52 0.21 1.61 1.81 -1.13 -4.54 118.95 116.57 1xsi s ARG 260 Ca 0.00 1.11 -0.32 0.00 -1.72 0.00 0.00 55.73 54.79 1xsi s ARG 260 Cb 0.00 -3.30 -0.14 0.00 -0.45 0.00 0.00 34.95 31.06 1xsi s ARG 260 CO 0.00 0.46 1.40 -2.30 -0.68 0.00 0.00 175.30 174.18 1xsi n PRO 261 N 2.10 1.88 -0.83 3.54 -0.02 -1.25 -4.07 135.00 136.34 1xsi n PRO 261 Ca -0.04 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.82 1xsi n PRO 261 Cb 0.49 -2.33 0.20 0.00 -0.02 0.00 0.00 33.50 31.84 1xsi n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsi s ALA 262 N 0.15 0.57 -0.38 3.55 0.00 -1.19 -4.12 121.76 120.34 1xsi s ALA 262 Ca 0.72 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 1xsi s ALA 262 Cb -0.70 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1xsi s ALA 262 CO 0.47 -3.14 0.34 -1.17 0.00 0.00 0.00 175.76 172.27 1xsi s LEU 263 N -6.75 4.70 0.75 0.00 2.96 -1.26 -4.71 118.68 114.37 1xsi s LEU 263 Ca 0.66 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.93 1xsi s LEU 263 Cb -0.22 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.25 1xsi s LEU 263 CO 0.60 -0.40 1.13 -2.84 -1.32 0.00 0.00 176.35 173.53 1xsi s PRO 264 N 1.92 2.16 0.76 0.98 0.02 -1.26 -4.92 135.00 134.65 1xsi s PRO 264 Ca 0.09 1.44 -0.14 0.00 0.02 0.00 0.00 61.00 62.42 1xsi s PRO 264 Cb -0.17 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.54 1xsi s PRO 264 CO 0.12 -1.75 1.17 -1.25 -0.33 0.00 0.00 177.00 174.95 1xsi s PRO 265 N -4.39 2.03 0.20 5.54 0.04 -1.24 -4.94 135.00 132.24 1xsi s PRO 265 Ca 0.67 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 1xsi s PRO 265 Cb -0.22 -1.84 0.15 0.00 0.04 0.00 0.00 34.50 32.64 1xsi s PRO 265 CO 0.50 -1.89 1.59 0.00 0.04 0.00 0.00 177.00 177.24 1xsi h ALA 266 N -0.63 0.82 -0.16 8.56 0.00 -1.90 -2.37 119.26 123.57 1xsi h ALA 266 Ca -0.46 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.09 1xsi h ALA 266 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xsi h ALA 266 CO 0.49 0.64 0.21 0.11 0.00 0.00 0.00 179.25 180.70 1xsi h TRP 267 N 0.64 0.00 0.00 0.00 5.08 -1.92 -1.94 115.95 117.81 1xsi h TRP 267 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 1xsi h TRP 267 Cb 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1xsi h TRP 267 CO 0.04 0.00 0.00 -1.13 -1.28 0.00 0.00 178.44 176.07 1xsi n SER 268 N -3.65 0.52 0.00 0.11 3.41 -0.89 -2.16 113.62 110.95 1xsi n SER 268 Ca 0.01 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.35 1xsi n SER 268 Cb 0.33 -0.71 0.81 0.00 -0.26 0.00 0.00 64.21 64.37 1xsi n SER 268 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xsi n PHE 269 N -2.03 0.00 -1.30 7.33 3.72 -0.73 -4.69 117.46 119.76 1xsi n PHE 269 Ca 0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.31 1xsi n PHE 269 Cb 0.30 -0.14 0.10 0.00 -0.94 0.00 0.00 39.48 38.81 1xsi n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsi n GLY 270 N 0.99 -1.54 3.69 1.37 0.00 -0.92 -4.82 105.19 103.97 1xsi n GLY 270 Ca 0.18 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1xsi n GLY 270 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsi s LEU 271 N 0.00 4.28 -0.15 0.99 2.96 -1.26 -4.34 118.68 121.16 1xsi s LEU 271 Ca 0.35 1.65 -0.07 0.00 -0.22 0.00 0.00 54.13 55.83 1xsi s LEU 271 Cb -0.01 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1xsi s LEU 271 CO 0.25 -0.46 0.11 0.26 -1.32 0.00 0.00 176.35 175.18 1xsi s TRP 272 N 1.90 3.45 0.15 5.38 0.52 -0.28 -1.33 118.94 128.73 1xsi s TRP 272 Ca 0.51 0.37 0.11 0.00 0.02 0.00 0.00 56.10 57.12 1xsi s TRP 272 Cb -0.21 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 1xsi s TRP 272 CO 0.21 0.50 -0.26 -1.17 0.02 0.00 0.00 176.95 176.25 1xsi s LEU 273 N -0.41 2.37 0.29 2.99 0.20 -0.24 -0.42 118.68 123.46 1xsi s LEU 273 Ca 0.11 -0.79 0.12 0.00 0.69 0.00 0.00 54.13 54.26 1xsi s LEU 273 Cb -0.12 -1.21 -0.05 0.00 -0.43 0.00 0.00 46.19 44.38 1xsi s LEU 273 CO 0.02 0.16 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.16 1xsi s THR 274 N -1.28 2.43 -0.81 3.68 2.01 -0.84 -0.09 115.64 120.74 1xsi s THR 274 Ca 0.16 -2.37 0.14 0.00 0.31 0.00 0.00 61.69 59.94 1xsi s THR 274 Cb -0.09 -2.37 0.13 0.00 0.01 0.00 0.00 72.50 70.18 1xsi s THR 274 CO 0.07 -0.36 1.44 0.35 -0.69 0.00 0.00 174.62 175.43 1xsi n THR 275 N -0.65 1.17 -1.66 -0.82 -2.24 -0.73 -4.77 114.28 104.57 1xsi n THR 275 Ca -0.05 0.34 0.18 0.00 -2.27 0.00 0.00 64.05 62.25 1xsi n THR 275 Cb 0.61 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.58 1xsi n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsi n SER 276 N -1.74 -8.18 0.00 3.42 7.64 -1.26 -4.69 113.62 108.81 1xsi n SER 276 Ca 0.02 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.31 1xsi n SER 276 Cb 0.13 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1xsi n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsi n PHE 277 N -3.98 0.00 -0.94 1.43 7.35 -0.75 -4.54 117.46 116.03 1xsi n PHE 277 Ca 0.01 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 1xsi n PHE 277 Cb 0.60 -0.14 0.37 0.00 0.35 0.00 0.00 39.48 40.65 1xsi n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsi n THR 278 N -1.66 2.68 -1.10 -2.13 -2.24 -0.44 -4.58 114.28 104.80 1xsi n THR 278 Ca 0.00 -1.55 -0.29 0.00 -2.27 0.00 0.00 64.05 59.94 1xsi n THR 278 Cb 0.00 -0.28 0.21 0.00 -2.10 0.00 0.00 70.33 68.16 1xsi n THR 278 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xsi s THR 279 N -2.81 1.81 0.23 4.28 -4.23 -1.26 -4.97 115.64 108.68 1xsi s THR 279 Ca 0.52 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.75 1xsi s THR 279 Cb 0.40 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.68 1xsi s THR 279 CO 0.14 0.00 0.88 0.20 -0.54 0.00 0.00 174.62 175.30 1xsi s ASN 280 N -3.63 7.49 -0.24 3.99 0.02 -1.26 -5.04 114.94 116.27 1xsi s ASN 280 Ca 0.68 1.81 -0.16 0.00 -1.02 0.00 0.00 52.86 54.18 1xsi s ASN 280 Cb -0.15 -2.56 0.07 0.00 0.02 0.00 0.00 41.25 38.63 1xsi s ASN 280 CO 0.57 0.13 0.61 -0.72 0.02 0.00 0.00 177.10 177.71 1xsi s TYR 281 N -1.26 -0.88 0.07 2.20 1.13 -1.26 -5.02 117.35 112.33 1xsi s TYR 281 Ca 0.41 1.84 0.02 0.00 -1.41 0.00 0.00 57.07 57.92 1xsi s TYR 281 Cb -0.23 0.46 -0.01 0.00 -1.10 0.00 0.00 41.96 41.08 1xsi s TYR 281 CO 0.28 -0.44 0.06 -0.40 -2.51 0.00 0.00 175.55 172.54 1xsi n ASP 282 N 3.98 -0.10 0.18 -0.18 3.85 -1.26 -4.96 116.55 118.05 1xsi n ASP 282 Ca -0.20 -1.46 -0.14 0.00 -0.71 0.00 0.00 54.79 52.28 1xsi n ASP 282 Cb 0.57 0.35 -0.07 0.00 -1.35 0.00 0.00 41.12 40.62 1xsi n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1xsi h GLU 283 N 0.00 -0.55 -0.75 0.11 4.81 -2.00 -1.22 114.58 114.98 1xsi h GLU 283 Ca -0.05 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.37 1xsi h GLU 283 Cb 0.25 0.13 -0.14 0.00 0.63 0.00 0.00 28.75 29.62 1xsi h GLU 283 CO 0.07 -0.37 -0.19 0.00 -0.73 0.00 0.00 179.01 177.79 1xsi h ALA 284 N 0.05 0.48 -0.92 2.92 0.00 -1.98 -0.53 119.26 119.28 1xsi h ALA 284 Ca -0.00 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1xsi h ALA 284 Cb 0.54 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1xsi h ALA 284 CO -0.07 -0.42 0.61 1.15 0.00 0.00 0.00 179.25 180.52 1xsi h THR 285 N -0.00 1.21 -0.13 0.00 2.02 -1.80 -1.72 112.91 112.49 1xsi h THR 285 Ca 0.36 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1xsi h THR 285 Cb 0.55 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1xsi h THR 285 CO -0.77 0.22 -0.06 0.58 0.37 0.00 0.00 175.52 175.86 1xsi h VAL 286 N 1.23 1.31 -0.92 3.16 2.07 0.03 -2.64 116.25 120.49 1xsi h VAL 286 Ca 0.35 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1xsi h VAL 286 Cb -0.10 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1xsi h VAL 286 CO -0.09 0.31 0.58 0.78 0.02 0.00 0.00 177.57 179.18 1xsi h ASN 287 N -0.07 0.92 -0.35 0.57 2.35 -1.03 -0.43 115.58 117.53 1xsi h ASN 287 Ca 0.03 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1xsi h ASN 287 Cb 0.52 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1xsi h ASN 287 CO 0.02 0.59 0.24 -1.28 -1.65 0.00 0.00 177.43 175.34 1xsi h SER 288 N 1.06 0.39 -0.06 5.81 0.87 -1.16 0.32 113.55 120.79 1xsi h SER 288 Ca 0.40 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.93 1xsi h SER 288 Cb 0.17 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1xsi h SER 288 CO -0.17 0.28 -0.06 -0.26 -0.53 0.00 0.00 176.83 176.09 1xsi h PHE 289 N 0.46 0.17 0.09 2.24 0.04 -0.74 -2.14 116.94 117.06 1xsi h PHE 289 Ca 0.13 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1xsi h PHE 289 Cb -0.02 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1xsi h PHE 289 CO -0.00 0.60 -0.04 0.82 -0.60 0.00 0.00 178.31 179.09 1xsi h ILE 290 N -0.31 0.94 -0.40 -0.55 2.04 -0.81 0.53 117.51 118.94 1xsi h ILE 290 Ca 0.01 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1xsi h ILE 290 Cb 0.58 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1xsi h ILE 290 CO 0.01 0.03 0.27 0.44 0.00 0.00 0.00 178.15 178.90 1xsi h ASP 291 N -0.18 0.37 -0.21 1.72 3.32 -0.50 -1.19 116.42 119.74 1xsi h ASP 291 Ca -0.01 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1xsi h ASP 291 Cb 0.14 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1xsi h ASP 291 CO 0.02 0.26 -0.02 1.23 -1.72 0.00 0.00 179.24 179.00 1xsi h GLY 292 N 0.43 0.43 0.97 2.75 0.00 -0.61 -0.45 103.07 106.58 1xsi h GLY 292 Ca 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1xsi h GLY 292 CO -0.04 0.31 -0.25 -0.33 0.00 0.00 0.00 176.54 176.22 1xsi h MET 293 N 0.14 -0.66 -0.29 4.80 2.86 -0.64 -2.98 114.93 118.16 1xsi h MET 293 Ca 0.06 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1xsi h MET 293 Cb 0.45 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1xsi h MET 293 CO 0.02 -0.44 -0.05 0.00 1.06 0.00 0.00 176.91 177.50 1xsi h ALA 294 N -0.18 0.21 -0.95 6.32 0.00 -1.14 -1.50 119.26 122.02 1xsi h ALA 294 Ca -0.06 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.20 1xsi h ALA 294 Cb 0.54 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1xsi h ALA 294 CO 0.09 -0.45 0.66 0.93 0.00 0.00 0.00 179.25 180.48 1xsi h GLU 295 N 0.03 0.18 -0.71 0.00 5.08 -1.13 -0.71 114.58 117.31 1xsi h GLU 295 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xsi h GLU 295 Cb 0.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xsi h GLU 295 CO -0.28 0.12 0.00 0.54 -1.00 0.00 0.00 179.01 178.39 1xsi n ARG 296 N -4.39 2.69 -3.80 2.33 1.74 -0.69 -4.96 116.66 109.58 1xsi n ARG 296 Ca 0.21 -2.62 -0.25 0.00 -0.77 0.00 0.00 57.85 54.41 1xsi n ARG 296 Cb 0.90 -1.57 0.01 0.00 -1.02 0.00 0.00 32.46 30.79 1xsi n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xsi n ASN 297 N 1.64 -1.82 -4.18 0.55 3.02 -0.27 -4.96 115.26 109.23 1xsi n ASN 297 Ca 0.24 -0.95 -0.36 0.00 -0.03 0.00 0.00 54.58 53.48 1xsi n ASN 297 Cb 0.62 -3.47 -0.13 0.00 -0.61 0.00 0.00 39.78 36.19 1xsi n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsi s LEU 298 N -6.74 4.44 0.35 3.41 1.43 -0.65 -4.86 118.68 116.05 1xsi s LEU 298 Ca 0.12 -1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 51.45 1xsi s LEU 298 Cb -0.04 -1.79 -0.11 0.00 0.03 0.00 0.00 46.19 44.28 1xsi s LEU 298 CO 0.86 -0.37 1.43 -2.84 0.23 0.00 0.00 176.35 175.66 1xsi s PRO 299 N 1.26 4.20 -0.01 1.29 0.02 -1.26 -4.27 135.00 136.22 1xsi s PRO 299 Ca -0.00 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.47 1xsi s PRO 299 Cb -0.21 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1xsi s PRO 299 CO -0.01 -0.42 -0.03 -1.17 -0.33 0.00 0.00 177.00 175.04 1xsi s LEU 300 N -1.74 1.70 0.00 -5.54 1.98 -1.26 -4.75 118.68 109.07 1xsi s LEU 300 Ca 0.53 -0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.71 1xsi s LEU 300 Cb -0.44 -0.23 0.00 0.00 0.66 0.00 0.00 46.19 46.18 1xsi s LEU 300 CO 0.57 -0.00 0.00 1.41 -1.89 0.00 0.00 176.35 176.44 1xsi n HIS 301 N 3.41 0.00 -4.59 5.38 8.25 -0.44 -4.85 115.22 122.38 1xsi n HIS 301 Ca -0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.04 1xsi n HIS 301 Cb 0.55 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.50 1xsi n HIS 301 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xsi s VAL 302 N -1.88 1.12 -0.12 1.59 1.01 -0.75 -0.24 120.40 121.14 1xsi s VAL 302 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1xsi s VAL 302 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1xsi s VAL 302 CO 0.00 0.35 -0.14 0.12 0.00 0.00 0.00 175.10 175.42 1xsi s PHE 303 N 0.52 2.78 -0.13 5.22 5.36 0.25 -1.08 117.98 130.89 1xsi s PHE 303 Ca -0.12 -0.63 -0.01 0.00 -0.96 0.00 0.00 56.93 55.21 1xsi s PHE 303 Cb -0.14 -1.81 -0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1xsi s PHE 303 CO 0.03 -0.19 -0.09 -1.58 -1.46 0.00 0.00 175.22 171.93 1xsi s HIS 304 N 0.24 2.89 -0.32 10.12 5.65 0.87 -0.85 115.29 133.90 1xsi s HIS 304 Ca -0.10 -0.43 -0.15 0.00 0.25 0.00 0.00 55.06 54.63 1xsi s HIS 304 Cb -0.16 -1.86 -0.02 0.00 -1.18 0.00 0.00 32.58 29.37 1xsi s HIS 304 CO 0.06 -0.07 0.38 -0.06 -0.65 0.00 0.00 174.74 174.39 1xsi s PHE 305 N 0.18 3.22 0.09 3.88 0.08 0.49 -1.78 117.98 124.13 1xsi s PHE 305 Ca -0.05 0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.13 1xsi s PHE 305 Cb -0.15 -2.67 0.02 0.00 -0.57 0.00 0.00 43.02 39.66 1xsi s PHE 305 CO 0.04 -0.38 0.13 -3.47 -0.10 0.00 0.00 175.22 171.44 1xsi n ASP 306 N 5.41 0.08 -0.31 1.36 2.03 -1.26 -1.15 116.55 122.71 1xsi n ASP 306 Ca -0.08 -1.09 0.15 0.00 0.52 0.00 0.00 54.79 54.29 1xsi n ASP 306 Cb 0.50 -0.09 0.33 0.00 -0.72 0.00 0.00 41.12 41.13 1xsi n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xsi n PHE 308 N -5.16 0.00 0.27 0.00 3.72 -1.26 -1.10 117.46 113.92 1xsi n PHE 308 Ca 0.23 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.76 1xsi n PHE 308 Cb 0.73 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 40.02 1xsi n PHE 308 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 1xsi h TRP 309 N 0.00 0.00 -2.11 1.38 5.08 -1.34 -3.43 115.95 115.52 1xsi h TRP 309 Ca 0.00 0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.52 1xsi h TRP 309 Cb 0.00 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.17 1xsi h TRP 309 CO 0.00 0.10 -0.28 -1.64 -1.28 0.00 0.00 178.44 175.34 1xsi s MET 310 N -4.36 3.13 0.32 0.12 -1.94 -0.26 -0.88 119.30 115.43 1xsi s MET 310 Ca -0.03 -0.83 -0.29 0.00 -1.71 0.00 0.00 55.69 52.82 1xsi s MET 310 Cb 0.14 -2.75 -0.10 0.00 2.01 0.00 0.00 34.83 34.13 1xsi s MET 310 CO 0.59 -0.00 1.33 0.15 -0.01 0.00 0.00 175.02 177.08 1xsi s LYS 311 N -4.27 4.34 0.28 2.03 1.02 -1.26 -4.66 119.74 117.22 1xsi s LYS 311 Ca 0.45 2.23 -0.29 0.00 0.02 0.00 0.00 55.97 58.38 1xsi s LYS 311 Cb -0.10 -3.08 -0.14 0.00 -0.52 0.00 0.00 37.83 34.00 1xsi s LYS 311 CO 0.33 -0.23 1.18 0.00 -0.92 0.00 0.00 175.35 175.71 1xsi n ALA 312 N 1.05 0.37 -0.84 5.17 0.00 -1.26 -1.65 120.51 123.34 1xsi n ALA 312 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1xsi n ALA 312 Cb 0.42 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1xsi n ALA 312 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xsi n PHE 313 N 0.77 0.00 -0.54 0.00 3.72 -1.26 -4.77 117.46 115.38 1xsi n PHE 313 Ca 0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.55 1xsi n PHE 313 Cb 0.32 -0.90 0.14 0.00 -0.94 0.00 0.00 39.48 38.10 1xsi n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsi n GLN 314 N -1.54 2.58 -2.02 -1.08 6.02 -0.66 -3.80 117.38 116.87 1xsi n GLN 314 Ca 0.00 -2.24 -0.42 0.00 -0.01 0.00 0.00 57.00 54.33 1xsi n GLN 314 Cb 0.11 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 1xsi n GLN 314 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xsi s TRP 315 N -1.89 3.09 0.00 1.08 0.51 -1.25 -2.43 118.94 118.05 1xsi s TRP 315 Ca 0.24 0.87 0.00 0.00 -2.12 0.00 0.00 56.10 55.10 1xsi s TRP 315 Cb 0.18 -3.82 0.00 0.00 -0.81 0.00 0.00 33.47 29.02 1xsi s TRP 315 CO 0.07 -2.86 0.00 0.00 -0.51 0.00 0.00 176.95 173.66 1xsi n ASP 317 N 0.98 0.85 -0.36 0.00 5.75 -1.02 -4.69 116.55 118.06 1xsi n ASP 317 Ca 0.00 -0.93 -0.05 0.00 -0.01 0.00 0.00 54.79 53.81 1xsi n ASP 317 Cb 0.24 0.84 -0.02 0.00 -1.03 0.00 0.00 41.12 41.15 1xsi n ASP 317 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xsi n PHE 318 N -0.97 0.00 -3.90 2.11 3.72 -1.26 -5.01 117.46 112.15 1xsi n PHE 318 Ca 0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.08 1xsi n PHE 318 Cb 0.22 -1.19 -0.11 0.00 -0.94 0.00 0.00 39.48 37.46 1xsi n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsi s GLU 319 N -2.03 3.78 0.22 -1.08 0.41 -1.26 -5.04 118.70 113.70 1xsi s GLU 319 Ca 0.00 -0.43 -0.32 0.00 -0.41 0.00 0.00 54.97 53.81 1xsi s GLU 319 Cb 0.00 -3.26 -0.12 0.00 -1.78 0.00 0.00 34.13 28.96 1xsi s GLU 319 CO 0.00 0.01 1.68 0.91 -0.49 0.00 0.00 175.26 177.37 1xsi n TRP 320 N 4.33 2.74 -1.60 1.61 7.02 -1.26 -4.01 117.44 126.27 1xsi n TRP 320 Ca -0.16 0.11 -0.46 0.00 -1.02 0.00 0.00 57.50 55.96 1xsi n TRP 320 Cb 0.52 -2.65 -0.04 0.00 -2.42 0.00 0.00 31.31 26.72 1xsi n TRP 320 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1xsi n ASP 321 N 3.50 3.22 -0.00 -0.99 -0.08 -0.06 -4.83 116.55 117.31 1xsi n ASP 321 Ca 0.14 0.58 0.14 0.00 -1.51 0.00 0.00 54.79 54.15 1xsi n ASP 321 Cb 0.35 -1.43 0.63 0.00 2.34 0.00 0.00 41.12 43.01 1xsi n ASP 321 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xsi n PRO 322 N 7.83 0.05 0.01 -0.67 -0.04 -1.26 -0.70 135.00 140.21 1xsi n PRO 322 Ca 0.29 -0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.58 1xsi n PRO 322 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1xsi n PRO 322 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1xsi h LEU 323 N 0.00 0.30 0.19 1.53 3.38 -1.97 -3.26 115.31 115.48 1xsi h LEU 323 Ca 0.00 -0.61 -0.31 0.00 0.09 0.00 0.00 57.88 57.05 1xsi h LEU 323 Cb 0.47 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1xsi h LEU 323 CO 0.00 1.54 -1.42 0.74 0.09 0.00 0.00 178.44 179.39 1xsi h THR 324 N 0.05 1.32 -2.68 0.22 2.02 -1.94 -3.41 112.91 108.50 1xsi h THR 324 Ca -0.35 -2.83 -0.60 0.00 0.77 0.00 0.00 66.41 63.39 1xsi h THR 324 Cb 2.03 2.96 -0.40 0.00 -1.74 0.00 0.00 68.15 71.00 1xsi h THR 324 CO 0.10 0.85 -0.81 -0.36 0.37 0.00 0.00 175.52 175.67 1xsi s PHE 325 N -2.62 2.02 0.43 3.16 0.08 0.12 -4.34 117.98 116.83 1xsi s PHE 325 Ca -0.08 -2.67 0.33 0.00 0.12 0.00 0.00 56.93 54.63 1xsi s PHE 325 Cb 0.06 -1.62 1.70 0.00 -0.57 0.00 0.00 43.02 42.58 1xsi s PHE 325 CO 0.91 -0.73 2.14 -1.35 -0.10 0.00 0.00 175.22 176.09 1xsi h PRO 326 N 5.69 0.00 -1.66 0.24 0.11 -1.76 -3.35 132.00 131.27 1xsi h PRO 326 Ca 0.20 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.81 1xsi h PRO 326 Cb 0.86 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.63 1xsi h PRO 326 CO 0.50 0.06 -0.97 -3.47 -0.21 0.00 0.00 178.00 173.91 1xsi n ASP 327 N -3.42 -0.55 -0.05 -2.05 2.03 -1.26 -5.00 116.55 106.25 1xsi n ASP 327 Ca -0.02 -2.77 -0.08 0.00 0.52 0.00 0.00 54.79 52.44 1xsi n ASP 327 Cb 0.20 -0.13 -0.02 0.00 -0.72 0.00 0.00 41.12 40.46 1xsi n ASP 327 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xsi h PRO 328 N 4.21 0.10 -0.76 -0.67 0.13 -1.98 -1.66 132.00 131.38 1xsi h PRO 328 Ca 0.05 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1xsi h PRO 328 Cb 0.92 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.95 1xsi h PRO 328 CO 0.41 0.07 0.40 1.49 -0.23 0.00 0.00 178.00 180.14 1xsi h GLU 329 N 0.10 0.64 -0.26 0.86 4.81 -1.95 -0.21 114.58 118.58 1xsi h GLU 329 Ca 0.11 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1xsi h GLU 329 Cb 0.12 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1xsi h GLU 329 CO -0.16 0.43 -0.36 0.78 -0.73 0.00 0.00 179.01 178.96 1xsi h GLY 330 N 0.66 0.64 0.87 1.92 0.00 -1.86 -2.26 103.07 103.04 1xsi h GLY 330 Ca 0.38 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1xsi h GLY 330 CO -0.27 0.55 0.06 1.98 0.00 0.00 0.00 176.54 178.86 1xsi h MET 331 N 0.49 0.37 0.30 4.80 1.85 -0.26 -1.43 114.93 121.05 1xsi h MET 331 Ca 0.05 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1xsi h MET 331 Cb 0.85 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.84 1xsi h MET 331 CO 0.07 0.48 -0.15 0.82 -0.40 0.00 0.00 176.91 177.74 1xsi h ILE 332 N 0.20 0.73 -0.85 1.77 2.04 -1.01 -1.31 117.51 119.09 1xsi h ILE 332 Ca 0.07 -0.24 0.20 0.00 1.00 0.00 0.00 64.86 65.89 1xsi h ILE 332 Cb 0.27 0.86 -0.12 0.00 -0.74 0.00 0.00 36.82 37.10 1xsi h ILE 332 CO 0.00 0.05 0.30 -0.09 0.00 0.00 0.00 178.15 178.41 1xsi h ARG 333 N -0.53 0.32 -0.63 2.37 2.43 -1.41 0.39 114.38 117.31 1xsi h ARG 333 Ca -0.04 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1xsi h ARG 333 Cb 0.40 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1xsi h ARG 333 CO 0.07 0.21 0.09 0.00 -1.51 0.00 0.00 179.97 178.83 1xsi h ARG 334 N 0.33 1.04 -0.43 0.20 3.08 -0.91 -2.26 114.38 115.42 1xsi h ARG 334 Ca 0.51 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 1xsi h ARG 334 Cb 0.96 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1xsi h ARG 334 CO -0.55 0.96 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.99 1xsi h LEU 335 N 0.97 0.94 -1.19 3.04 3.38 -0.03 -3.07 115.31 119.35 1xsi h LEU 335 Ca 0.19 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1xsi h LEU 335 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xsi h LEU 335 CO 0.01 1.14 -0.31 0.11 0.09 0.00 0.00 178.44 179.48 1xsi h LYS 336 N 0.78 0.16 0.00 1.13 1.57 -0.13 -1.78 116.57 118.30 1xsi h LYS 336 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1xsi h LYS 336 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1xsi h LYS 336 CO 0.07 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 1xsi n ALA 337 N -2.48 1.77 -0.17 3.86 0.00 -0.86 -1.34 120.51 121.29 1xsi n ALA 337 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1xsi n ALA 337 Cb 0.39 -1.33 0.28 0.00 0.00 0.00 0.00 19.45 18.80 1xsi n ALA 337 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xsi n LYS 338 N -1.81 3.29 -0.30 0.00 5.02 -0.67 -4.91 118.16 118.78 1xsi n LYS 338 Ca 0.03 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 1xsi n LYS 338 Cb 0.22 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1xsi n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsi n GLY 339 N 0.83 0.77 3.83 0.72 0.00 -0.45 -5.05 105.19 105.83 1xsi n GLY 339 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1xsi n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsi s LEU 340 N 0.00 4.42 0.52 0.99 1.43 -1.20 -4.88 118.68 119.96 1xsi s LEU 340 Ca 0.00 0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 53.73 1xsi s LEU 340 Cb 0.00 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 1xsi s LEU 340 CO 0.00 0.31 0.99 -0.54 0.23 0.00 0.00 176.35 177.33 1xsi s LYS 341 N -0.82 3.94 -0.12 1.70 -0.14 0.67 -4.45 119.74 120.52 1xsi s LYS 341 Ca 0.21 0.96 0.02 0.00 -1.36 0.00 0.00 55.97 55.80 1xsi s LYS 341 Cb -0.15 -2.13 0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1xsi s LYS 341 CO 0.10 -0.28 -0.17 0.42 -0.76 0.00 0.00 175.35 174.66 1xsi s ILE 342 N -2.62 1.69 0.07 2.17 1.09 -1.26 -0.59 121.20 121.75 1xsi s ILE 342 Ca 0.59 -0.75 0.07 0.00 -1.10 0.00 0.00 60.65 59.46 1xsi s ILE 342 Cb -0.10 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.74 1xsi s ILE 342 CO 0.31 0.48 -0.15 0.00 -0.10 0.00 0.00 174.94 175.48 1xsi s VAL 344 N -1.05 0.88 0.16 0.00 -7.23 -1.12 -0.38 120.40 111.66 1xsi s VAL 344 Ca 0.17 -1.56 -0.25 0.00 -1.81 0.00 0.00 61.98 58.53 1xsi s VAL 344 Cb -0.11 -1.25 -0.08 0.00 0.56 0.00 0.00 36.38 35.50 1xsi s VAL 344 CO 0.09 -0.53 0.78 0.86 -0.31 0.00 0.00 175.10 175.99 1xsi s TRP 345 N -2.28 3.91 0.16 2.82 -0.00 -0.30 -1.78 118.94 121.46 1xsi s TRP 345 Ca 0.03 1.64 -0.02 0.00 -0.00 0.00 0.00 56.10 57.75 1xsi s TRP 345 Cb -0.04 -2.77 -0.04 0.00 -0.00 0.00 0.00 33.47 30.62 1xsi s TRP 345 CO -0.00 0.51 0.10 0.96 -0.00 0.00 0.00 176.95 178.52 1xsi s ILE 346 N -1.13 0.06 0.32 5.86 -4.36 -0.67 -4.88 121.20 116.41 1xsi s ILE 346 Ca 0.36 -1.91 -0.09 0.00 -0.26 0.00 0.00 60.65 58.75 1xsi s ILE 346 Cb -0.23 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.29 1xsi s ILE 346 CO 0.26 -0.28 0.54 0.54 0.24 0.00 0.00 174.94 176.24 1xsi s ASN 347 N -3.08 0.39 -0.21 4.36 4.22 -1.26 -1.63 114.94 117.72 1xsi s ASN 347 Ca 0.29 -1.22 0.09 0.00 -2.14 0.00 0.00 52.86 49.88 1xsi s ASN 347 Cb 0.07 0.68 0.61 0.00 1.28 0.00 0.00 41.25 43.89 1xsi s ASN 347 CO 0.05 -1.33 1.51 -0.81 -2.04 0.00 0.00 177.10 174.48 1xsi n PRO 348 N -0.50 3.62 -4.49 3.55 -0.04 -1.26 -4.83 135.00 131.05 1xsi n PRO 348 Ca -0.02 -2.40 -0.24 0.00 -0.04 0.00 0.00 63.50 60.80 1xsi n PRO 348 Cb 0.61 -2.06 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 1xsi n PRO 348 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xsi s TYR 349 N -2.39 2.26 -0.02 0.54 2.02 -1.26 -1.93 117.35 116.57 1xsi s TYR 349 Ca 0.42 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1xsi s TYR 349 Cb 0.33 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 1xsi s TYR 349 CO 0.11 0.59 0.03 -1.50 -1.57 0.00 0.00 175.55 173.22 1xsi s ILE 350 N -2.64 -0.03 0.39 2.71 2.07 -0.19 -3.81 121.20 119.70 1xsi s ILE 350 Ca 0.30 0.11 -0.25 0.00 -1.41 0.00 0.00 60.65 59.41 1xsi s ILE 350 Cb -0.00 -0.07 -0.09 0.00 0.13 0.00 0.00 42.46 42.43 1xsi s ILE 350 CO 0.15 0.04 1.08 -0.83 -1.91 0.00 0.00 174.94 173.47 1xsi s GLY 351 N 0.56 2.79 0.37 1.50 0.00 -1.00 -0.76 107.32 110.80 1xsi s GLY 351 Ca -0.05 0.77 0.10 0.00 0.00 0.00 0.00 44.72 45.54 1xsi s GLY 351 CO -0.02 1.23 1.91 -1.61 0.00 0.00 0.00 173.10 174.61 1xsi h GLN 352 N 2.64 0.62 -0.10 2.90 4.15 -1.25 -2.57 115.11 121.51 1xsi h GLN 352 Ca -0.48 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 58.93 1xsi h GLN 352 Cb 1.22 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.76 1xsi h GLN 352 CO 0.63 0.41 0.14 -0.22 -1.93 0.00 0.00 178.83 177.86 1xsi h LYS 353 N 0.64 0.00 -6.73 1.69 3.64 -1.77 -3.44 116.57 110.60 1xsi h LYS 353 Ca 0.39 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.24 1xsi h LYS 353 Cb 0.61 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 32.49 1xsi h LYS 353 CO -0.15 0.00 0.82 0.45 -2.27 0.00 0.00 179.45 178.29 1xsi s SER 354 N -5.64 6.57 0.58 4.20 0.15 -0.97 -4.84 113.70 113.75 1xsi s SER 354 Ca -0.05 2.73 0.29 0.00 0.70 0.00 0.00 55.95 59.62 1xsi s SER 354 Cb 0.14 -2.62 1.58 0.00 -1.71 0.00 0.00 66.02 63.42 1xsi s SER 354 CO 0.50 -0.78 1.88 -0.65 1.20 0.00 0.00 173.24 175.39 1xsi h PRO 355 N 5.32 0.00 0.00 5.44 0.11 -1.91 -1.81 132.00 139.16 1xsi h PRO 355 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1xsi h PRO 355 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1xsi h PRO 355 CO 0.81 0.00 -0.84 0.28 -0.21 0.00 0.00 178.00 178.04 1xsi h VAL 356 N 0.00 0.75 -0.22 3.15 2.07 -1.92 -3.34 116.25 116.73 1xsi h VAL 356 Ca 0.00 -2.16 0.06 0.00 0.82 0.00 0.00 66.70 65.41 1xsi h VAL 356 Cb 0.47 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 1xsi h VAL 356 CO 0.00 0.43 -0.15 0.15 0.02 0.00 0.00 177.57 178.02 1xsi h PHE 357 N 0.00 -0.37 -1.00 1.57 3.04 -1.61 -0.96 116.94 117.61 1xsi h PHE 357 Ca -0.06 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.01 1xsi h PHE 357 Cb 1.46 0.20 -0.08 0.00 2.56 0.00 0.00 35.95 40.09 1xsi h PHE 357 CO 0.00 -0.22 0.64 -0.22 -2.02 0.00 0.00 178.31 176.49 1xsi h LYS 358 N -0.14 1.05 -0.34 1.11 3.64 -1.75 0.27 116.57 120.42 1xsi h LYS 358 Ca 0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xsi h LYS 358 Cb 0.33 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1xsi h LYS 358 CO -0.31 0.69 0.19 1.49 -2.27 0.00 0.00 179.45 179.25 1xsi h GLU 359 N 1.08 0.47 -0.30 1.90 4.81 -1.52 0.15 114.58 121.17 1xsi h GLU 359 Ca 0.46 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.48 1xsi h GLU 359 Cb 0.34 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xsi h GLU 359 CO -0.22 0.37 -0.48 -0.07 -0.73 0.00 0.00 179.01 177.88 1xsi h LEU 360 N 0.43 0.89 -0.61 1.64 3.38 -0.70 0.15 115.31 120.48 1xsi h LEU 360 Ca 0.12 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1xsi h LEU 360 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1xsi h LEU 360 CO -0.02 1.22 0.23 -0.61 0.09 0.00 0.00 178.44 179.35 1xsi h GLN 361 N 0.64 0.92 -0.49 1.13 4.15 -0.31 0.32 115.11 121.47 1xsi h GLN 361 Ca 0.03 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.20 1xsi h GLN 361 Cb 1.07 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1xsi h GLN 361 CO 0.11 0.79 0.00 0.93 -1.93 0.00 0.00 178.83 178.73 1xsi h GLU 362 N 0.85 0.82 0.00 1.69 5.08 -0.30 -2.67 114.58 120.05 1xsi h GLU 362 Ca 0.20 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xsi h GLU 362 Cb 0.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xsi h GLU 362 CO -0.01 0.82 0.00 0.87 -1.00 0.00 0.00 179.01 179.69 1xsi h LYS 363 N 0.76 0.00 -1.37 2.33 1.57 -0.54 -3.47 116.57 115.86 1xsi h LYS 363 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1xsi h LYS 363 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1xsi h LYS 363 CO 0.02 0.00 -0.15 0.41 -0.57 0.00 0.00 179.45 179.16 1xsi n GLY 364 N 0.77 0.33 0.30 3.86 0.00 0.02 -4.95 105.19 105.51 1xsi n GLY 364 Ca 0.03 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1xsi n GLY 364 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xsi n TYR 365 N -3.63 0.00 -4.00 1.61 4.01 -0.71 -4.92 117.16 109.52 1xsi n TYR 365 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.39 1xsi n TYR 365 Cb 0.53 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 39.42 1xsi n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsi s LEU 366 N -2.53 4.11 0.14 7.72 1.43 -1.26 -1.03 118.68 127.26 1xsi s LEU 366 Ca 0.22 0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 53.17 1xsi s LEU 366 Cb 0.19 -2.57 -0.13 0.00 0.03 0.00 0.00 46.19 43.70 1xsi s LEU 366 CO 0.55 0.22 1.64 -0.11 0.23 0.00 0.00 176.35 178.89 1xsi n LEU 367 N 0.74 3.32 -4.77 1.79 7.94 0.80 -4.72 117.00 122.09 1xsi n LEU 367 Ca -0.09 1.06 -0.32 0.00 -1.11 0.00 0.00 56.01 55.55 1xsi n LEU 367 Cb 0.52 -1.45 -0.07 0.00 0.53 0.00 0.00 43.42 42.95 1xsi n LEU 367 CO 0.44 -0.17 -0.26 -0.54 -1.11 0.00 0.00 177.39 175.75 1xsi s LYS 368 N 1.37 2.95 0.79 1.96 1.02 -1.26 -1.86 119.74 124.71 1xsi s LYS 368 Ca 0.80 -0.60 -0.11 0.00 0.02 0.00 0.00 55.97 56.08 1xsi s LYS 368 Cb -0.64 -2.78 0.06 0.00 -0.52 0.00 0.00 37.83 33.95 1xsi s LYS 368 CO 0.38 0.60 1.09 1.03 -0.92 0.00 0.00 175.35 177.53 1xsi s ARG 369 N -2.07 2.16 0.56 1.68 0.52 -0.04 -0.65 118.95 121.11 1xsi s ARG 369 Ca 0.26 0.83 0.29 0.00 -0.52 0.00 0.00 55.73 56.59 1xsi s ARG 369 Cb -0.12 -1.91 1.47 0.00 0.52 0.00 0.00 34.95 34.90 1xsi s ARG 369 CO 0.18 -1.61 1.92 -1.35 0.02 0.00 0.00 175.30 174.46 1xsi h PRO 370 N -1.09 0.00 -0.00 3.54 0.11 -1.83 -1.75 132.00 130.97 1xsi h PRO 370 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xsi h PRO 370 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xsi h PRO 370 CO 0.57 0.00 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.88 1xsi n ASP 371 N -4.04 0.45 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.51 1xsi n ASP 371 Ca 0.12 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 1xsi n ASP 371 Cb 0.75 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1xsi n ASP 371 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsi n GLY 372 N 1.22 2.62 3.76 6.12 0.00 -0.66 -5.07 105.19 113.18 1xsi n GLY 372 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1xsi n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsi s SER 373 N -1.33 4.40 0.32 1.61 1.04 -1.26 -4.74 113.70 113.74 1xsi s SER 373 Ca 0.00 1.83 -0.28 0.00 0.48 0.00 0.00 55.95 57.98 1xsi s SER 373 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.51 1xsi s SER 373 CO 0.00 -2.10 1.21 -0.76 0.98 0.00 0.00 173.24 172.56 1xsi s LEU 374 N -5.97 4.44 -0.04 2.42 1.43 -1.26 -0.87 118.68 118.83 1xsi s LEU 374 Ca 0.61 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.89 1xsi s LEU 374 Cb -0.17 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1xsi s LEU 374 CO 0.56 -0.41 1.28 0.86 0.23 0.00 0.00 176.35 178.87 1xsi s TRP 375 N -1.19 3.04 0.02 0.29 -0.00 -0.78 -4.65 118.94 115.67 1xsi s TRP 375 Ca 0.49 1.05 -0.07 0.00 -0.00 0.00 0.00 56.10 57.57 1xsi s TRP 375 Cb -0.35 -3.52 -0.00 0.00 -0.00 0.00 0.00 33.47 29.60 1xsi s TRP 375 CO 0.46 -1.76 0.13 -0.65 -0.00 0.00 0.00 176.95 175.13 1xsi s GLN 376 N 2.36 0.54 0.32 5.86 -0.21 -1.26 -4.54 119.66 122.73 1xsi s GLN 376 Ca 0.59 -0.56 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 1xsi s GLN 376 Cb -0.27 0.22 0.02 0.00 1.00 0.00 0.00 33.01 33.98 1xsi s GLN 376 CO 0.23 -0.14 0.49 -2.67 -2.12 0.00 0.00 175.29 171.08 1xsi n TRP 377 N 1.12 -1.51 -0.19 0.91 2.14 -1.13 -4.95 117.44 113.83 1xsi n TRP 377 Ca -0.21 -2.02 0.07 0.00 2.07 0.00 0.00 57.50 57.41 1xsi n TRP 377 Cb 0.57 0.56 0.18 0.00 -0.81 0.00 0.00 31.31 31.81 1xsi n TRP 377 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1xsi n ASP 378 N -1.64 3.10 -4.77 -0.67 8.00 -1.26 -0.45 116.55 118.86 1xsi n ASP 378 Ca -0.01 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.12 1xsi n ASP 378 Cb 0.53 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1xsi n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsi s LYS 379 N -1.00 4.34 0.00 -1.24 1.02 -1.26 -4.32 119.74 117.28 1xsi s LYS 379 Ca 0.28 1.64 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1xsi s LYS 379 Cb 0.15 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1xsi s LYS 379 CO 0.19 -0.01 0.00 1.87 -0.92 0.00 0.00 175.35 176.48 1xsi n TRP 380 N 0.43 0.00 -4.29 3.18 -0.00 -1.26 -4.75 117.44 110.76 1xsi n TRP 380 Ca 0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.32 1xsi n TRP 380 Cb 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.67 1xsi n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsi s GLN 381 N 0.00 1.15 0.12 5.87 -1.52 -1.26 -5.01 119.66 119.01 1xsi s GLN 381 Ca 0.00 -1.32 -0.31 0.00 -1.95 0.00 0.00 55.36 51.78 1xsi s GLN 381 Cb 0.00 -1.15 -0.08 0.00 -0.22 0.00 0.00 33.01 31.56 1xsi s GLN 381 CO 0.00 0.23 1.42 -2.14 -0.25 0.00 0.00 175.29 174.55 1xsi s PRO 382 N -2.68 4.30 -1.46 2.91 0.02 -1.26 -2.96 135.00 133.88 1xsi s PRO 382 Ca 0.12 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1xsi s PRO 382 Cb -0.06 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1xsi s PRO 382 CO 0.05 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1xsi n GLY 383 N 3.54 0.20 3.67 0.52 0.00 -1.11 -1.34 105.19 110.67 1xsi n GLY 383 Ca 0.12 -0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.45 1xsi n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsi n LEU 384 N -2.18 3.15 -4.66 0.99 0.00 0.40 -3.51 117.00 111.19 1xsi n LEU 384 Ca -0.18 1.06 -0.25 0.00 0.00 0.00 0.00 56.01 56.63 1xsi n LEU 384 Cb 0.61 -1.41 -0.09 0.00 0.00 0.00 0.00 43.42 42.54 1xsi n LEU 384 CO 0.23 -0.25 -0.26 0.00 0.00 0.00 0.00 177.39 177.11 1xsi s ALA 385 N 1.63 3.31 -0.10 1.96 0.00 0.06 -2.85 121.76 125.78 1xsi s ALA 385 Ca 0.82 -2.06 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1xsi s ALA 385 Cb -0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1xsi s ALA 385 CO 0.41 -0.03 -0.15 0.42 0.00 0.00 0.00 175.76 176.41 1xsi s ILE 386 N -2.57 2.90 0.02 0.00 1.01 -1.26 -1.02 121.20 120.28 1xsi s ILE 386 Ca 0.37 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 1xsi s ILE 386 Cb 0.03 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1xsi s ILE 386 CO 0.20 0.55 1.45 -0.31 0.00 0.00 0.00 174.94 176.83 1xsi s TYR 387 N -0.01 2.79 -0.74 3.97 1.51 -0.82 -0.14 117.35 123.91 1xsi s TYR 387 Ca -0.04 0.72 -0.21 0.00 -1.01 0.00 0.00 57.07 56.52 1xsi s TYR 387 Cb -0.14 -3.73 0.09 0.00 -0.11 0.00 0.00 41.96 38.07 1xsi s TYR 387 CO 0.04 -2.75 1.01 0.34 -1.11 0.00 0.00 175.55 173.08 1xsi s ASP 388 N 1.94 6.31 0.00 2.29 -1.08 -0.20 -4.75 116.67 121.18 1xsi s ASP 388 Ca 0.66 -1.33 0.08 0.00 -0.52 0.00 0.00 52.55 51.44 1xsi s ASP 388 Cb -0.34 -2.41 0.48 0.00 -1.46 0.00 0.00 42.92 39.20 1xsi s ASP 388 CO 0.28 -1.32 1.30 0.49 0.52 0.00 0.00 175.17 176.44 1xsi n PHE 389 N 7.33 0.00 1.00 -5.34 0.99 -1.26 -1.79 117.46 118.38 1xsi n PHE 389 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.59 1xsi n PHE 389 Cb 0.46 0.00 0.31 0.00 -1.00 0.00 0.00 39.48 39.25 1xsi n PHE 389 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xsi n THR 390 N -0.63 0.32 -3.71 4.37 -2.24 -1.26 -4.76 114.28 106.37 1xsi n THR 390 Ca 0.06 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 1xsi n THR 390 Cb 0.03 0.42 -0.12 0.00 -2.10 0.00 0.00 70.33 68.56 1xsi n THR 390 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xsi s ASN 391 N -1.42 5.40 0.33 3.42 3.84 -0.74 -4.22 114.94 121.54 1xsi s ASN 391 Ca 0.32 -1.37 0.05 0.00 0.21 0.00 0.00 52.86 52.07 1xsi s ASN 391 Cb 0.17 -1.90 0.70 0.00 -0.55 0.00 0.00 41.25 39.67 1xsi s ASN 391 CO 0.25 -0.42 1.89 -0.65 -2.79 0.00 0.00 177.10 175.38 1xsi h PRO 392 N 8.25 0.81 0.00 0.43 0.10 -1.86 0.17 132.00 139.90 1xsi h PRO 392 Ca -0.22 -0.05 -0.08 0.00 0.10 0.00 0.00 66.00 65.75 1xsi h PRO 392 Cb 1.08 -0.18 -0.01 0.00 0.10 0.00 0.00 31.00 31.98 1xsi h PRO 392 CO 0.66 0.53 -0.38 -0.44 0.10 0.00 0.00 178.00 178.47 1xsi h ASP 393 N 0.83 0.00 -0.30 -2.05 3.32 -1.94 -1.72 116.42 114.56 1xsi h ASP 393 Ca 0.42 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.39 1xsi h ASP 393 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1xsi h ASP 393 CO -0.19 0.38 -0.13 0.00 -1.72 0.00 0.00 179.24 177.58 1xsi h ALA 394 N 1.62 0.42 -0.36 3.45 0.00 -1.00 -1.25 119.26 122.13 1xsi h ALA 394 Ca -0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xsi h ALA 394 Cb 0.74 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1xsi h ALA 394 CO 0.05 0.30 0.13 0.00 0.00 0.00 0.00 179.25 179.73 1xsi h LYS 396 N 0.28 1.08 -0.73 0.00 3.64 -1.25 0.35 116.57 119.95 1xsi h LYS 396 Ca 0.16 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1xsi h LYS 396 Cb 0.14 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1xsi h LYS 396 CO -0.17 0.71 0.23 2.35 -2.27 0.00 0.00 179.45 180.31 1xsi h TRP 397 N 1.11 1.17 -0.05 1.91 7.01 -0.70 0.70 115.95 127.11 1xsi h TRP 397 Ca 0.32 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 1xsi h TRP 397 Cb -0.08 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.64 1xsi h TRP 397 CO -0.02 0.92 -0.19 -0.92 -2.79 0.00 0.00 178.44 175.44 1xsi h TYR 398 N 1.08 0.28 -0.57 2.65 3.20 -0.70 -2.27 116.97 120.64 1xsi h TYR 398 Ca 0.24 -0.12 0.12 0.00 3.14 0.00 0.00 58.73 62.10 1xsi h TYR 398 Cb 0.30 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.42 1xsi h TYR 398 CO 0.02 0.82 -0.06 0.00 -1.64 0.00 0.00 178.16 177.30 1xsi h ALA 399 N 0.41 0.48 -0.81 1.82 0.00 -0.19 -0.72 119.26 120.24 1xsi h ALA 399 Ca -0.01 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xsi h ALA 399 Cb 0.84 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1xsi h ALA 399 CO 0.04 -0.41 0.53 -0.44 0.00 0.00 0.00 179.25 178.97 1xsi h ASP 400 N 0.06 0.89 -0.37 0.00 3.32 -0.79 0.11 116.42 119.64 1xsi h ASP 400 Ca 0.29 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1xsi h ASP 400 Cb 0.45 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1xsi h ASP 400 CO -0.53 0.63 0.03 0.11 -1.72 0.00 0.00 179.24 177.75 1xsi h LYS 401 N 1.05 0.73 -0.11 3.56 1.79 -0.60 -1.83 116.57 121.16 1xsi h LYS 401 Ca 0.31 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1xsi h LYS 401 Cb -0.05 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1xsi h LYS 401 CO -0.08 0.73 -0.04 -0.07 -1.08 0.00 0.00 179.45 178.91 1xsi h LEU 402 N 0.69 0.21 -0.91 2.94 3.38 0.27 -2.43 115.31 119.47 1xsi h LEU 402 Ca 0.14 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.83 1xsi h LEU 402 Cb 0.39 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1xsi h LEU 402 CO 0.01 0.55 0.55 0.11 0.09 0.00 0.00 178.44 179.76 1xsi h LYS 403 N -0.13 0.87 -0.83 1.13 1.57 -0.82 0.23 116.57 118.60 1xsi h LYS 403 Ca 0.03 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1xsi h LYS 403 Cb 0.47 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1xsi h LYS 403 CO 0.01 0.57 0.54 0.78 -0.57 0.00 0.00 179.45 180.79 1xsi h GLY 404 N 0.89 1.17 1.11 3.86 0.00 -1.13 0.14 103.07 109.12 1xsi h GLY 404 Ca 0.45 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1xsi h GLY 404 CO -0.26 0.30 -0.43 1.41 0.00 0.00 0.00 176.54 177.56 1xsi h LEU 405 N 0.96 0.96 -1.04 3.11 3.38 -0.37 -3.11 115.31 119.20 1xsi h LEU 405 Ca 0.34 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1xsi h LEU 405 Cb 0.15 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1xsi h LEU 405 CO -0.12 1.27 0.64 0.58 0.09 0.00 0.00 178.44 180.90 1xsi h VAL 406 N 0.68 1.12 -0.02 1.22 2.07 0.23 -2.47 116.25 119.10 1xsi h VAL 406 Ca 0.04 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1xsi h VAL 406 Cb 1.03 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1xsi h VAL 406 CO 0.10 0.22 0.03 0.00 0.02 0.00 0.00 177.57 177.94 1xsi h ALA 407 N 1.45 1.39 -0.37 1.67 0.00 -0.69 0.13 119.26 122.83 1xsi h ALA 407 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1xsi h ALA 407 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xsi h ALA 407 CO -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1xsi n MET 408 N -3.59 2.89 0.00 0.00 0.00 -0.96 -4.96 117.12 110.50 1xsi n MET 408 Ca -0.03 -2.17 0.00 0.00 0.00 0.00 0.00 57.70 55.50 1xsi n MET 408 Cb 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1xsi n MET 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xsi n GLY 409 N 0.52 1.25 3.77 3.17 0.00 0.03 -4.72 105.19 109.22 1xsi n GLY 409 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1xsi n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsi s VAL 410 N -2.00 3.30 -0.20 1.61 1.01 -1.00 -4.67 120.40 118.45 1xsi s VAL 410 Ca 0.00 1.12 0.12 0.00 0.00 0.00 0.00 61.98 63.23 1xsi s VAL 410 Cb 0.00 -3.64 -0.17 0.00 0.00 0.00 0.00 36.38 32.56 1xsi s VAL 410 CO 0.00 0.13 0.35 0.47 0.00 0.00 0.00 175.10 176.06 1xsi n ASP 411 N 0.31 1.62 -3.67 3.32 8.00 0.11 -4.37 116.55 121.86 1xsi n ASP 411 Ca 0.03 -0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.24 1xsi n ASP 411 Cb 0.46 1.38 -0.01 0.00 -0.02 0.00 0.00 41.12 42.93 1xsi n ASP 411 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsi s PHE 413 N -2.98 1.24 -0.50 0.00 0.40 -1.25 -2.79 117.98 112.10 1xsi s PHE 413 Ca 0.12 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 55.97 1xsi s PHE 413 Cb 0.00 -0.76 0.07 0.00 0.51 0.00 0.00 43.02 42.85 1xsi s PHE 413 CO -0.01 0.02 0.50 0.21 0.70 0.00 0.00 175.22 176.63 1xsi s LYS 414 N -0.83 3.03 -0.86 0.44 2.20 -0.74 -1.62 119.74 121.36 1xsi s LYS 414 Ca 0.03 -1.23 -0.19 0.00 -0.36 0.00 0.00 55.97 54.22 1xsi s LYS 414 Cb -0.07 -4.14 0.13 0.00 -1.51 0.00 0.00 37.83 32.24 1xsi s LYS 414 CO 0.01 -1.15 1.04 0.95 -0.36 0.00 0.00 175.35 175.83 1xsi s THR 415 N 2.02 4.79 0.59 3.43 -4.23 0.68 -1.67 115.64 121.25 1xsi s THR 415 Ca 0.08 -1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1xsi s THR 415 Cb -0.23 -4.71 0.01 0.00 1.34 0.00 0.00 72.50 68.90 1xsi s THR 415 CO 0.08 -1.42 0.91 -0.62 -0.54 0.00 0.00 174.62 173.03 1xsi s ASP 416 N 3.48 5.62 0.98 3.99 -1.08 -0.65 -1.68 116.67 127.34 1xsi s ASP 416 Ca 0.28 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 1xsi s ASP 416 Cb -0.08 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1xsi s ASP 416 CO -0.06 -1.06 0.00 0.49 0.52 0.00 0.00 175.17 175.06 1xsi n PHE 417 N -2.60 -0.79 0.00 -5.34 3.01 -1.26 -4.37 117.46 106.11 1xsi n PHE 417 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1xsi n PHE 417 Cb 0.57 0.18 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 1xsi n PHE 417 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xsi n GLY 418 N 0.00 0.43 0.14 1.37 0.00 -1.26 -4.03 105.19 101.84 1xsi n GLY 418 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1xsi n GLY 418 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xsi h GLU 419 N 4.57 0.38 -4.46 1.61 9.09 -1.91 -3.40 114.58 120.47 1xsi h GLU 419 Ca 0.00 -0.65 -0.73 0.00 0.05 0.00 0.00 59.36 58.02 1xsi h GLU 419 Cb 0.00 0.24 -0.15 0.00 -1.65 0.00 0.00 28.75 27.19 1xsi h GLU 419 CO 0.00 1.31 1.78 0.54 0.05 0.00 0.00 179.01 182.69 1xsi n ARG 420 N -3.58 3.39 -3.74 1.06 1.74 -1.26 -4.51 116.66 109.76 1xsi n ARG 420 Ca -0.25 -3.60 -0.37 0.00 -0.77 0.00 0.00 57.85 52.86 1xsi n ARG 420 Cb 1.07 -3.08 -0.12 0.00 -1.02 0.00 0.00 32.46 29.31 1xsi n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsi s ILE 421 N 1.64 4.27 0.71 0.55 -1.09 -1.26 -5.06 121.20 120.96 1xsi s ILE 421 Ca 0.44 -0.31 -0.11 0.00 -2.23 0.00 0.00 60.65 58.43 1xsi s ILE 421 Cb 0.03 -3.06 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1xsi s ILE 421 CO 0.01 0.25 1.08 -2.16 -1.23 0.00 0.00 174.94 172.89 1xsi s PRO 422 N 1.59 2.83 0.00 2.79 0.04 -1.26 -4.74 135.00 136.25 1xsi s PRO 422 Ca 0.05 0.61 0.13 0.00 0.04 0.00 0.00 61.00 61.84 1xsi s PRO 422 Cb -0.16 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1xsi s PRO 422 CO 0.04 -1.09 0.65 0.25 0.04 0.00 0.00 177.00 176.89 1xsi n THR 423 N -3.07 0.00 -2.44 1.26 -2.24 -1.26 -4.75 114.28 101.78 1xsi n THR 423 Ca 0.07 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1xsi n THR 423 Cb 0.56 1.08 0.01 0.00 -2.10 0.00 0.00 70.33 69.87 1xsi n THR 423 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xsi n ASP 424 N -0.78 6.53 -3.77 3.42 3.85 -1.26 -4.80 116.55 119.73 1xsi n ASP 424 Ca 0.04 -3.27 -0.10 0.00 -0.71 0.00 0.00 54.79 50.75 1xsi n ASP 424 Cb 0.24 -1.35 -0.05 0.00 -1.35 0.00 0.00 41.12 38.61 1xsi n ASP 424 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsi s VAL 425 N -1.44 0.05 -0.25 2.12 0.11 -1.26 -4.45 120.40 115.27 1xsi s VAL 425 Ca 0.41 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1xsi s VAL 425 Cb 0.12 -1.55 0.07 0.00 -1.53 0.00 0.00 36.38 33.49 1xsi s VAL 425 CO -0.02 -0.21 -0.02 -1.58 -3.33 0.00 0.00 175.10 169.94 1xsi s GLN 426 N -3.88 1.42 0.47 1.54 0.74 0.18 -4.68 119.66 115.44 1xsi s GLN 426 Ca 0.10 -1.03 -0.23 0.00 0.05 0.00 0.00 55.36 54.25 1xsi s GLN 426 Cb 0.01 -2.53 -0.07 0.00 1.10 0.00 0.00 33.01 31.51 1xsi s GLN 426 CO -0.04 -0.68 1.26 -1.58 -0.55 0.00 0.00 175.29 173.70 1xsi s TRP 427 N 1.42 2.69 0.29 1.67 0.52 -1.26 -4.17 118.94 120.10 1xsi s TRP 427 Ca -0.02 1.45 0.04 0.00 0.02 0.00 0.00 56.10 57.59 1xsi s TRP 427 Cb -0.19 -3.58 0.74 0.00 -1.15 0.00 0.00 33.47 29.29 1xsi s TRP 427 CO -0.09 -2.07 1.71 0.35 0.02 0.00 0.00 176.95 176.87 1xsi h PHE 428 N 2.07 0.72 -0.15 -1.98 3.57 -1.92 -0.08 116.94 119.17 1xsi h PHE 428 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1xsi h PHE 428 Cb 1.26 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1xsi h PHE 428 CO 0.51 -0.01 0.00 -0.40 -2.23 0.00 0.00 178.31 176.18 1xsi n ASP 429 N -5.00 1.08 -1.27 0.41 5.75 -1.26 -4.92 116.55 111.34 1xsi n ASP 429 Ca 0.22 -1.76 -0.16 0.00 -0.01 0.00 0.00 54.79 53.08 1xsi n ASP 429 Cb 0.65 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.58 1xsi n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsi n GLY 430 N 0.94 1.42 3.66 6.12 0.00 -0.04 -4.99 105.19 112.29 1xsi n GLY 430 Ca 0.12 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1xsi n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsi n SER 431 N -0.61 1.06 -4.58 1.61 7.64 -1.26 -4.91 113.62 112.57 1xsi n SER 431 Ca -0.16 0.73 -0.45 0.00 1.01 0.00 0.00 58.87 60.00 1xsi n SER 431 Cb 0.53 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 1xsi n SER 431 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1xsi n ASP 432 N -1.80 3.12 -0.13 6.43 -0.08 -0.30 -4.64 116.55 119.15 1xsi n ASP 432 Ca 0.14 0.33 0.21 0.00 -1.51 0.00 0.00 54.79 53.97 1xsi n ASP 432 Cb 0.49 -1.49 0.62 0.00 2.34 0.00 0.00 41.12 43.08 1xsi n ASP 432 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xsi h PRO 433 N 13.95 0.16 -0.28 -0.67 0.11 -1.89 -1.25 132.00 142.14 1xsi h PRO 433 Ca -0.39 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 1xsi h PRO 433 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1xsi h PRO 433 CO 0.97 0.11 -0.12 1.96 -0.21 0.00 0.00 178.00 180.71 1xsi h GLN 434 N 0.17 0.47 0.14 1.05 1.08 -1.90 -2.93 115.11 113.19 1xsi h GLN 434 Ca 0.37 -0.13 -0.32 0.00 -1.45 0.00 0.00 58.65 57.12 1xsi h GLN 434 Cb 1.21 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1xsi h GLN 434 CO -0.06 0.59 -1.57 0.87 -0.95 0.00 0.00 178.83 177.70 1xsi h LYS 435 N 0.43 0.30 -0.06 1.46 1.57 -1.64 -3.31 116.57 115.32 1xsi h LYS 435 Ca 0.08 -0.52 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 1xsi h LYS 435 Cb 0.48 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1xsi h LYS 435 CO 0.03 1.19 0.07 0.52 -0.57 0.00 0.00 179.45 180.69 1xsi h MET 436 N 0.08 0.00 0.33 3.15 2.86 -1.22 -2.87 114.93 117.27 1xsi h MET 436 Ca -0.26 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1xsi h MET 436 Cb 2.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.69 1xsi h MET 436 CO 0.17 0.00 -0.26 1.25 1.06 0.00 0.00 176.91 179.14 1xsi h HIS 437 N 0.00 -0.68 0.04 -0.22 -0.00 -1.61 -0.17 115.15 112.51 1xsi h HIS 437 Ca 0.03 -0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.14 1xsi h HIS 437 Cb 0.17 0.26 0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1xsi h HIS 437 CO 0.00 -0.39 -1.05 -0.91 -0.00 0.00 0.00 177.93 175.59 1xsi h ASN 438 N -0.59 0.85 0.58 3.26 2.35 -1.77 -3.35 115.58 116.92 1xsi h ASN 438 Ca -0.03 -0.77 -0.03 0.00 -0.55 0.00 0.00 56.30 54.92 1xsi h ASN 438 Cb 0.52 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1xsi h ASN 438 CO -0.01 1.52 -0.15 -0.74 -1.65 0.00 0.00 177.43 176.41 1xsi h HIS 439 N 0.29 0.00 -1.01 1.19 2.76 -1.31 -2.72 115.15 114.35 1xsi h HIS 439 Ca -0.14 0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.27 1xsi h HIS 439 Cb 1.72 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.58 1xsi h HIS 439 CO 0.11 0.15 0.64 -0.92 -1.30 0.00 0.00 177.93 176.61 1xsi h TYR 440 N 0.00 0.80 -0.26 5.26 3.20 -1.16 -1.82 116.97 123.00 1xsi h TYR 440 Ca -0.00 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 1xsi h TYR 440 Cb 0.48 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1xsi h TYR 440 CO 0.00 0.10 -0.54 0.00 -1.64 0.00 0.00 178.16 176.09 1xsi h ALA 441 N 1.65 0.57 0.05 1.82 0.00 -1.68 -0.45 119.26 121.21 1xsi h ALA 441 Ca 0.59 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xsi h ALA 441 Cb 1.31 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1xsi h ALA 441 CO -0.34 0.68 -0.44 -0.92 0.00 0.00 0.00 179.25 178.23 1xsi h TYR 442 N 0.58 -1.29 -0.72 0.00 3.20 -1.51 -1.17 116.97 116.05 1xsi h TYR 442 Ca 0.02 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1xsi h TYR 442 Cb 1.12 0.56 -0.06 0.00 1.54 0.00 0.00 36.73 39.89 1xsi h TYR 442 CO 0.06 -0.49 0.42 0.82 -1.64 0.00 0.00 178.16 177.33 1xsi h ILE 443 N -0.59 0.98 0.62 1.81 1.08 -1.28 0.36 117.51 120.48 1xsi h ILE 443 Ca 0.00 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.18 1xsi h ILE 443 Cb 0.61 0.15 0.01 0.00 -3.07 0.00 0.00 36.82 34.52 1xsi h ILE 443 CO -0.27 0.14 -0.30 0.22 -0.69 0.00 0.00 178.15 177.25 1xsi h TYR 444 N 0.76 -0.77 -0.53 1.37 -0.00 -1.15 -1.97 116.97 114.68 1xsi h TYR 444 Ca 0.33 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.73 58.94 1xsi h TYR 444 Cb 0.20 0.25 -0.02 0.00 -0.00 0.00 0.00 36.73 37.17 1xsi h TYR 444 CO -0.07 -0.45 -0.06 -0.91 -0.00 0.00 0.00 178.16 176.67 1xsi h ASN 445 N -0.90 0.93 -1.00 -2.11 2.35 -0.65 -2.64 115.58 111.56 1xsi h ASN 445 Ca -0.08 -0.27 0.14 0.00 -0.55 0.00 0.00 56.30 55.54 1xsi h ASN 445 Cb 0.66 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.69 1xsi h ASN 445 CO 0.14 1.02 0.62 -0.08 -1.65 0.00 0.00 177.43 177.48 1xsi h GLU 446 N 0.85 0.89 -0.31 0.81 4.81 -0.32 -0.00 114.58 121.31 1xsi h GLU 446 Ca 0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1xsi h GLU 446 Cb 0.58 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1xsi h GLU 446 CO 0.04 0.59 0.13 1.25 -0.73 0.00 0.00 179.01 180.29 1xsi h LEU 447 N 0.92 0.41 -0.17 1.64 6.46 -0.99 -1.50 115.31 122.08 1xsi h LEU 447 Ca 0.53 -0.15 -0.13 0.00 -0.12 0.00 0.00 57.88 58.01 1xsi h LEU 447 Cb 0.63 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1xsi h LEU 447 CO -0.31 0.45 -0.39 0.58 -0.62 0.00 0.00 178.44 178.15 1xsi h VAL 448 N 0.35 1.34 -0.36 1.05 2.07 -1.26 -2.61 116.25 116.84 1xsi h VAL 448 Ca 0.10 -1.65 0.07 0.00 0.82 0.00 0.00 66.70 66.05 1xsi h VAL 448 Cb 0.16 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1xsi h VAL 448 CO -0.01 0.50 -0.04 -0.25 0.02 0.00 0.00 177.57 177.79 1xsi h TRP 449 N 0.21 -0.10 -0.08 1.57 2.91 -0.99 -2.38 115.95 117.09 1xsi h TRP 449 Ca -0.00 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 1xsi h TRP 449 Cb 1.00 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.74 1xsi h TRP 449 CO 0.10 -0.11 -0.19 -0.91 -1.03 0.00 0.00 178.44 176.30 1xsi h ASN 450 N 0.05 0.12 -0.23 2.65 2.35 -1.20 -1.53 115.58 117.79 1xsi h ASN 450 Ca 0.18 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1xsi h ASN 450 Cb 0.26 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1xsi h ASN 450 CO -0.33 0.32 0.14 0.58 -1.65 0.00 0.00 177.43 176.49 1xsi h VAL 451 N 0.12 1.04 -0.15 2.81 2.07 -1.04 -2.16 116.25 118.93 1xsi h VAL 451 Ca 0.02 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1xsi h VAL 451 Cb 0.41 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1xsi h VAL 451 CO 0.03 0.05 -0.01 -0.07 0.02 0.00 0.00 177.57 177.59 1xsi h LEU 452 N 0.29 0.27 -0.89 2.57 4.07 -1.12 -2.14 115.31 118.35 1xsi h LEU 452 Ca 0.09 -0.32 0.24 0.00 0.08 0.00 0.00 57.88 57.97 1xsi h LEU 452 Cb -0.02 -0.07 -0.15 0.00 1.08 0.00 0.00 40.66 41.50 1xsi h LEU 452 CO -0.03 0.53 0.14 0.50 -1.08 0.00 0.00 178.44 178.50 1xsi h LYS 453 N 0.01 0.12 -0.01 1.13 3.64 -1.30 -0.14 116.57 120.01 1xsi h LYS 453 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1xsi h LYS 453 Cb 0.39 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1xsi h LYS 453 CO 0.01 0.08 -0.04 -0.25 -2.27 0.00 0.00 179.45 176.98 1xsi n ASP 454 N -5.33 1.43 0.00 4.20 8.00 -0.82 -3.33 116.55 120.71 1xsi n ASP 454 Ca 0.21 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1xsi n ASP 454 Cb 0.69 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1xsi n ASP 454 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xsi n THR 455 N 0.05 0.00 0.27 -3.53 -2.24 -0.85 -4.88 114.28 103.10 1xsi n THR 455 Ca 0.18 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.09 1xsi n THR 455 Cb 0.35 -0.31 0.74 0.00 -2.10 0.00 0.00 70.33 69.01 1xsi n THR 455 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xsi h VAL 456 N 0.00 0.53 0.00 2.28 -1.51 -1.29 -3.48 116.25 112.77 1xsi h VAL 456 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1xsi h VAL 456 Cb 0.00 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1xsi h VAL 456 CO 0.00 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 177.06 1xsi n GLY 457 N -0.69 2.76 0.33 5.19 0.00 -0.67 -4.59 105.19 107.53 1xsi n GLY 457 Ca -0.02 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.38 1xsi n GLY 457 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsi h GLU 458 N 0.00 0.59 0.00 1.61 4.81 -1.79 0.60 114.58 120.40 1xsi h GLU 458 Ca 0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1xsi h GLU 458 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1xsi h GLU 458 CO 0.00 0.39 -0.30 0.93 -0.73 0.00 0.00 179.01 179.30 1xsi h GLU 459 N 0.61 0.00 -0.01 1.92 3.07 -1.91 -3.03 114.58 115.23 1xsi h GLU 459 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1xsi h GLU 459 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1xsi h GLU 459 CO -0.06 0.30 -0.57 0.39 -1.40 0.00 0.00 179.01 177.67 1xsi n GLU 460 N -3.63 1.20 -2.15 2.33 -0.58 0.11 -3.71 120.64 114.21 1xsi n GLU 460 Ca -0.01 -0.63 -0.42 0.00 -0.42 0.00 0.00 57.16 55.68 1xsi n GLU 460 Cb 0.42 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 1xsi n GLU 460 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsi s ALA 461 N -2.42 3.62 0.03 0.62 0.00 -0.63 -4.85 121.76 118.12 1xsi s ALA 461 Ca 0.13 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1xsi s ALA 461 Cb 0.15 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1xsi s ALA 461 CO 0.59 -1.15 0.26 0.54 0.00 0.00 0.00 175.76 176.00 1xsi s VAL 462 N 3.21 0.08 0.26 0.00 0.11 -1.26 -4.56 120.40 118.23 1xsi s VAL 462 Ca 0.67 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 1xsi s VAL 462 Cb -0.31 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1xsi s VAL 462 CO 0.26 -0.38 0.02 -0.76 -3.33 0.00 0.00 175.10 170.92 1xsi s LEU 463 N -1.84 2.10 -0.34 2.54 1.43 -0.60 -3.93 118.68 118.04 1xsi s LEU 463 Ca -0.08 -1.28 0.02 0.00 -1.03 0.00 0.00 54.13 51.76 1xsi s LEU 463 Cb -0.02 -0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.04 1xsi s LEU 463 CO -0.01 -0.56 0.06 -0.36 0.23 0.00 0.00 176.35 175.70 1xsi s PHE 464 N -3.44 3.63 -0.11 0.29 0.40 -0.64 -3.93 117.98 114.18 1xsi s PHE 464 Ca 0.32 -2.71 -0.01 0.00 -0.60 0.00 0.00 56.93 53.93 1xsi s PHE 464 Cb 0.07 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 1xsi s PHE 464 CO 0.11 -0.93 -0.06 0.00 0.70 0.00 0.00 175.22 175.03 1xsi s ALA 465 N 1.01 2.94 -0.09 5.36 0.00 -0.12 -0.23 121.76 130.63 1xsi s ALA 465 Ca 0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1xsi s ALA 465 Cb -0.20 -1.37 -0.26 0.00 0.00 0.00 0.00 23.12 21.30 1xsi s ALA 465 CO -0.06 0.38 0.49 -0.09 0.00 0.00 0.00 175.76 176.48 1xsi h ARG 466 N 6.06 0.20 -5.97 0.00 2.43 -1.59 -2.57 114.38 112.94 1xsi h ARG 466 Ca -0.38 -0.35 -0.56 0.00 -0.81 0.00 0.00 59.98 57.88 1xsi h ARG 466 Cb 1.19 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.78 1xsi h ARG 466 CO 0.57 1.03 -0.53 -1.54 -1.51 0.00 0.00 179.97 178.00 1xsi s SER 467 N -6.81 4.44 0.17 -3.80 1.04 -1.26 -4.56 113.70 102.93 1xsi s SER 467 Ca -0.17 -0.99 -0.24 0.00 0.48 0.00 0.00 55.95 55.03 1xsi s SER 467 Cb 0.07 -0.55 0.06 0.00 0.10 0.00 0.00 66.02 65.70 1xsi s SER 467 CO 0.79 -0.43 0.83 0.00 0.98 0.00 0.00 173.24 175.41 1xsi s ALA 468 N -2.54 -1.53 0.23 5.32 0.00 -1.24 -4.91 121.76 117.08 1xsi s ALA 468 Ca 0.39 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 1xsi s ALA 468 Cb 0.02 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1xsi s ALA 468 CO 0.22 -0.96 0.49 0.45 0.00 0.00 0.00 175.76 175.96 1xsi s SER 469 N -2.85 -0.14 0.12 0.00 0.15 -1.26 -3.97 113.70 105.75 1xsi s SER 469 Ca 0.10 -0.77 -0.35 0.00 0.70 0.00 0.00 55.95 55.62 1xsi s SER 469 Cb -0.03 0.58 -0.16 0.00 -1.71 0.00 0.00 66.02 64.71 1xsi s SER 469 CO 0.00 -1.11 1.42 0.52 1.20 0.00 0.00 173.24 175.27 1xsi n VAL 470 N -0.36 0.07 0.00 4.45 0.31 -1.26 -1.34 118.33 120.20 1xsi n VAL 470 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1xsi n VAL 470 Cb 0.62 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1xsi n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsi n GLY 471 N 2.80 3.11 0.00 2.92 0.00 -1.25 -4.57 105.19 108.20 1xsi n GLY 471 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1xsi n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsi n ALA 472 N -1.99 2.39 0.26 4.61 0.00 -0.45 -2.02 120.51 123.31 1xsi n ALA 472 Ca 0.00 -0.12 0.17 0.00 0.00 0.00 0.00 53.44 53.49 1xsi n ALA 472 Cb 0.00 -1.48 0.90 0.00 0.00 0.00 0.00 19.45 18.87 1xsi n ALA 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xsi h GLN 473 N 0.00 0.00 0.00 0.00 -0.00 -1.88 -1.60 115.11 111.63 1xsi h GLN 473 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1xsi h GLN 473 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1xsi h GLN 473 CO 0.00 0.00 -0.06 0.87 -0.00 0.00 0.00 178.83 179.64 1xsi h LYS 474 N 0.00 0.00 -2.47 0.06 1.57 -1.55 -3.33 116.57 110.84 1xsi h LYS 474 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 1xsi h LYS 474 Cb 0.02 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 31.97 1xsi h LYS 474 CO 0.00 0.06 0.02 1.19 -0.57 0.00 0.00 179.45 180.14 1xsi n PHE 475 N -3.24 3.09 -0.69 -1.35 3.72 -0.60 -3.20 117.46 115.18 1xsi n PHE 475 Ca -0.01 -3.45 -0.29 0.00 -0.05 0.00 0.00 57.45 53.65 1xsi n PHE 475 Cb 0.26 -0.85 0.21 0.00 -0.94 0.00 0.00 39.48 38.16 1xsi n PHE 475 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xsi s PRO 476 N -2.79 -0.11 -0.01 -1.08 0.04 -1.25 -4.71 135.00 125.10 1xsi s PRO 476 Ca 0.37 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1xsi s PRO 476 Cb 0.12 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 33.03 1xsi s PRO 476 CO 0.02 -3.23 0.02 1.55 0.04 0.00 0.00 177.00 175.40 1xsi n VAL 477 N -4.59 -8.01 -4.57 -0.36 3.14 -1.25 -1.56 118.33 101.13 1xsi n VAL 477 Ca 0.06 1.62 -0.34 0.00 -2.96 0.00 0.00 64.34 62.72 1xsi n VAL 477 Cb 0.54 -4.70 -0.11 0.00 -1.06 0.00 0.00 33.84 28.51 1xsi n VAL 477 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1xsi s HIS 478 N -0.32 2.97 0.07 1.45 3.76 -1.22 -0.94 115.29 121.05 1xsi s HIS 478 Ca -0.02 -0.08 0.07 0.00 -0.15 0.00 0.00 55.06 54.88 1xsi s HIS 478 Cb 0.00 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 1xsi s HIS 478 CO 0.07 0.22 -0.16 1.67 -0.85 0.00 0.00 174.74 175.69 1xsi s TRP 479 N -0.47 2.61 -2.00 1.40 -2.14 -0.97 -0.29 118.94 117.07 1xsi s TRP 479 Ca 0.07 -0.22 0.04 0.00 2.66 0.00 0.00 56.10 58.65 1xsi s TRP 479 Cb -0.12 -1.43 0.27 0.00 -3.10 0.00 0.00 33.47 29.09 1xsi s TRP 479 CO 0.02 0.33 0.64 0.41 -2.66 0.00 0.00 176.95 175.69 1xsi n GLY 480 N 1.17 -0.31 7.00 3.67 0.00 -0.13 -4.65 105.19 111.94 1xsi n GLY 480 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xsi n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsi n GLY 481 N -0.28 -0.21 3.40 -0.02 0.00 -1.26 -4.71 105.19 102.11 1xsi n GLY 481 Ca 0.03 -1.06 -0.45 0.00 0.00 0.00 0.00 46.02 44.54 1xsi n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsi s ASP 482 N -4.00 6.95 0.50 1.61 1.01 -1.26 -4.65 116.67 116.82 1xsi s ASP 482 Ca 0.00 -2.82 0.04 0.00 0.71 0.00 0.00 52.55 50.48 1xsi s ASP 482 Cb 0.00 -2.31 0.03 0.00 1.01 0.00 0.00 42.92 41.65 1xsi s ASP 482 CO 0.00 -0.68 0.70 0.00 0.21 0.00 0.00 175.17 175.40 1xsi s TYR 484 N -2.60 3.08 -1.19 0.00 2.02 -1.26 -0.94 117.35 116.44 1xsi s TYR 484 Ca 0.57 -0.16 -0.05 0.00 -0.37 0.00 0.00 57.07 57.05 1xsi s TYR 484 Cb -0.10 -1.53 0.22 0.00 -0.40 0.00 0.00 41.96 40.15 1xsi s TYR 484 CO 0.36 0.41 1.89 0.00 -1.57 0.00 0.00 175.55 176.65 1xsi n ALA 485 N -1.26 5.81 -2.88 3.71 0.00 -0.89 -4.42 120.51 120.58 1xsi n ALA 485 Ca -0.06 -4.44 -0.10 0.00 0.00 0.00 0.00 53.44 48.84 1xsi n ALA 485 Cb 0.58 -2.62 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 1xsi n ALA 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsi s ASN 486 N -0.37 -0.02 0.32 0.00 2.20 -1.26 -4.38 114.94 111.43 1xsi s ASN 486 Ca 0.41 -0.99 0.02 0.00 -0.94 0.00 0.00 52.86 51.36 1xsi s ASN 486 Cb 0.12 0.51 0.53 0.00 -2.00 0.00 0.00 41.25 40.41 1xsi s ASN 486 CO -0.02 -1.02 1.87 1.88 -2.94 0.00 0.00 177.10 176.88 1xsi h TYR 487 N 2.39 0.70 -0.14 1.54 0.05 -1.91 -1.88 116.97 117.72 1xsi h TYR 487 Ca -0.29 -0.05 -0.14 0.00 0.05 0.00 0.00 58.73 58.29 1xsi h TYR 487 Cb 1.25 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1xsi h TYR 487 CO 0.39 0.60 -0.50 0.93 -1.05 0.00 0.00 178.16 178.53 1xsi h GLU 488 N 0.67 0.38 0.00 4.88 3.07 -1.94 -1.09 114.58 120.55 1xsi h GLU 488 Ca 0.15 -0.22 -0.19 0.00 -0.50 0.00 0.00 59.36 58.60 1xsi h GLU 488 Cb 0.26 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1xsi h GLU 488 CO -0.00 0.80 -0.86 1.03 -1.40 0.00 0.00 179.01 178.58 1xsi h SER 489 N 0.30 0.20 -0.54 1.42 0.87 -1.80 -0.35 113.55 113.66 1xsi h SER 489 Ca 0.01 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1xsi h SER 489 Cb 0.98 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 1xsi h SER 489 CO 0.08 0.96 0.35 -0.03 -0.53 0.00 0.00 176.83 177.67 1xsi h MET 490 N 0.09 0.69 -0.31 2.24 -1.53 -0.93 -0.69 114.93 114.48 1xsi h MET 490 Ca -0.04 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.16 1xsi h MET 490 Cb 1.48 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 32.36 1xsi h MET 490 CO 0.13 0.46 0.09 0.00 0.14 0.00 0.00 176.91 177.72 1xsi h ALA 491 N 1.21 0.41 -0.15 0.39 0.00 -1.16 -2.02 119.26 117.94 1xsi h ALA 491 Ca 0.21 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xsi h ALA 491 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xsi h ALA 491 CO -0.06 0.06 -0.12 1.05 0.00 0.00 0.00 179.25 180.18 1xsi h GLU 492 N 0.35 0.24 -0.31 0.00 4.11 -0.79 -1.89 114.58 116.29 1xsi h GLU 492 Ca 0.10 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 1xsi h GLU 492 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1xsi h GLU 492 CO -0.00 0.37 0.03 0.77 0.07 0.00 0.00 179.01 180.25 1xsi h SER 493 N 0.23 0.51 -0.74 3.06 0.02 -0.86 -2.08 113.55 113.69 1xsi h SER 493 Ca 0.05 -0.28 0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1xsi h SER 493 Cb 0.36 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 1xsi h SER 493 CO 0.02 0.66 0.42 0.25 -1.14 0.00 0.00 176.83 177.05 1xsi h LEU 494 N 0.34 0.63 -1.13 5.07 5.85 -1.14 0.52 115.31 125.44 1xsi h LEU 494 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xsi h LEU 494 Cb 0.39 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1xsi h LEU 494 CO 0.01 0.40 0.44 0.03 -0.34 0.00 0.00 178.44 178.98 1xsi h ARG 495 N 0.76 1.04 -0.34 1.25 3.08 -0.69 0.86 114.38 120.34 1xsi h ARG 495 Ca 0.33 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 1xsi h ARG 495 Cb 0.21 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1xsi h ARG 495 CO -0.19 0.74 -0.37 0.78 -1.07 0.00 0.00 179.97 179.86 1xsi h GLY 496 N 1.08 0.94 0.99 0.04 0.00 -0.57 -1.08 103.07 104.48 1xsi h GLY 496 Ca 0.27 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1xsi h GLY 496 CO -0.05 0.88 0.32 -1.33 0.00 0.00 0.00 176.54 176.36 1xsi h GLY 497 N 0.65 0.76 0.85 4.60 0.00 -0.52 0.15 103.07 109.57 1xsi h GLY 497 Ca 0.05 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.09 1xsi h GLY 497 CO 0.09 0.30 0.24 1.41 0.00 0.00 0.00 176.54 178.58 1xsi h LEU 498 N 0.71 0.37 -0.85 3.11 3.38 -0.79 -2.45 115.31 118.80 1xsi h LEU 498 Ca 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1xsi h LEU 498 Cb -0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1xsi h LEU 498 CO -0.04 0.26 0.48 0.28 0.09 0.00 0.00 178.44 179.52 1xsi h SER 499 N 0.48 1.04 -0.18 -0.43 0.02 -0.83 -0.95 113.55 112.70 1xsi h SER 499 Ca 0.17 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1xsi h SER 499 Cb 0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1xsi h SER 499 CO -0.10 0.82 -0.39 -0.29 -1.14 0.00 0.00 176.83 175.74 1xsi h ILE 500 N 1.17 1.29 -0.93 3.27 2.10 -0.91 -2.11 117.51 121.40 1xsi h ILE 500 Ca 0.30 -1.56 0.04 0.00 1.08 0.00 0.00 64.86 64.72 1xsi h ILE 500 Cb -0.00 1.48 -0.05 0.00 -1.09 0.00 0.00 36.82 37.15 1xsi h ILE 500 CO -0.05 0.51 0.61 1.23 -1.08 0.00 0.00 178.15 179.36 1xsi h GLY 501 N 0.95 1.35 1.33 8.18 0.00 -0.97 -1.58 103.07 112.32 1xsi h GLY 501 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1xsi h GLY 501 CO 0.08 0.39 0.00 1.04 0.00 0.00 0.00 176.54 178.05 1xsi n LEU 502 N -4.45 0.00 -0.63 3.11 4.77 -0.40 -2.97 117.00 116.43 1xsi n LEU 502 Ca 0.13 0.16 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 1xsi n LEU 502 Cb 0.11 -0.16 0.20 0.00 -2.33 0.00 0.00 43.42 41.24 1xsi n LEU 502 CO 0.35 -0.04 0.65 -1.20 -1.33 0.00 0.00 177.39 175.82 1xsi n SER 503 N -1.16 3.28 0.00 -1.43 7.64 -0.65 -4.60 113.62 116.70 1xsi n SER 503 Ca 0.14 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1xsi n SER 503 Cb 0.14 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1xsi n SER 503 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsi n GLY 504 N -0.47 0.66 3.75 0.23 0.00 -1.16 -4.91 105.19 103.29 1xsi n GLY 504 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1xsi n GLY 504 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsi s PHE 505 N -2.00 3.43 -0.12 1.61 0.08 -0.89 -4.68 117.98 115.41 1xsi s PHE 505 Ca 0.00 0.35 0.16 0.00 0.12 0.00 0.00 56.93 57.56 1xsi s PHE 505 Cb 0.00 -2.12 -0.12 0.00 -0.57 0.00 0.00 43.02 40.21 1xsi s PHE 505 CO 0.00 0.35 0.89 0.78 -0.10 0.00 0.00 175.22 177.14 1xsi h GLY 506 N 6.41 0.00 -5.40 4.36 0.00 -1.87 -3.34 103.07 103.23 1xsi h GLY 506 Ca -0.43 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.61 1xsi h GLY 506 CO 0.73 0.00 -0.74 -1.36 0.00 0.00 0.00 176.54 175.17 1xsi s PHE 507 N -2.91 0.33 -0.24 5.60 0.08 -1.26 -1.78 117.98 117.80 1xsi s PHE 507 Ca -0.02 -0.07 -0.17 0.00 0.12 0.00 0.00 56.93 56.78 1xsi s PHE 507 Cb 0.09 -0.21 0.07 0.00 -0.57 0.00 0.00 43.02 42.39 1xsi s PHE 507 CO 0.81 -0.01 0.62 -0.46 -0.10 0.00 0.00 175.22 176.08 1xsi s TRP 508 N -0.12 -0.84 0.45 0.36 -0.00 -1.26 -3.45 118.94 114.08 1xsi s TRP 508 Ca 0.01 1.82 0.03 0.00 -0.00 0.00 0.00 56.10 57.95 1xsi s TRP 508 Cb -0.02 0.41 -0.02 0.00 -0.00 0.00 0.00 33.47 33.84 1xsi s TRP 508 CO -0.00 -0.42 0.06 0.45 -0.00 0.00 0.00 176.95 177.04 1xsi s SER 509 N 1.07 3.49 0.13 5.86 0.15 0.60 -3.15 113.70 121.84 1xsi s SER 509 Ca -0.06 -1.64 -0.24 0.00 0.70 0.00 0.00 55.95 54.72 1xsi s SER 509 Cb -0.05 0.44 0.07 0.00 -1.71 0.00 0.00 66.02 64.77 1xsi s SER 509 CO -0.10 -0.85 0.64 -1.38 1.20 0.00 0.00 173.24 172.74 1xsi s HIS 510 N -3.02 -0.52 -0.43 3.44 -3.43 -1.26 -0.95 115.29 109.11 1xsi s HIS 510 Ca 0.16 0.36 -0.27 0.00 -0.80 0.00 0.00 55.06 54.51 1xsi s HIS 510 Cb 0.03 0.55 0.02 0.00 -1.43 0.00 0.00 32.58 31.75 1xsi s HIS 510 CO 0.09 -0.80 1.02 -0.51 -2.00 0.00 0.00 174.74 172.54 1xsi s ASP 511 N -2.63 6.64 -0.00 7.38 -0.00 -1.26 -4.27 116.67 122.53 1xsi s ASP 511 Ca 0.01 0.46 -0.30 0.00 -0.00 0.00 0.00 52.55 52.72 1xsi s ASP 511 Cb -0.01 -2.50 -0.07 0.00 -0.00 0.00 0.00 42.92 40.34 1xsi s ASP 511 CO -0.11 -1.07 1.72 -0.63 -0.00 0.00 0.00 175.17 175.08 1xsi s ILE 512 N 3.95 3.32 0.00 0.77 1.01 -0.40 -1.14 121.20 128.71 1xsi s ILE 512 Ca 0.42 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.58 1xsi s ILE 512 Cb -0.10 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1xsi s ILE 512 CO 0.25 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1xsi n GLY 513 N 4.18 0.69 0.00 6.18 0.00 -1.26 -4.23 105.19 110.75 1xsi n GLY 513 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1xsi n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsi n GLY 514 N -2.05 -1.92 0.03 -0.02 0.00 -0.29 -4.33 105.19 96.61 1xsi n GLY 514 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 1xsi n GLY 514 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xsi h PHE 515 N 0.00 -0.05 -3.52 1.61 3.04 -1.48 -3.42 116.94 113.12 1xsi h PHE 515 Ca 0.00 -0.00 -0.53 0.00 3.98 0.00 0.00 57.97 61.42 1xsi h PHE 515 Cb 0.00 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 1xsi h PHE 515 CO 0.00 -0.03 0.13 -1.21 -2.02 0.00 0.00 178.31 175.17 1xsi s GLU 516 N -1.56 4.37 0.08 1.11 0.41 -0.12 -0.63 118.70 122.35 1xsi s GLU 516 Ca -0.01 0.97 0.00 0.00 -0.41 0.00 0.00 54.97 55.53 1xsi s GLU 516 Cb 0.00 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 1xsi s GLU 516 CO 0.02 0.48 0.00 0.09 -0.49 0.00 0.00 175.26 175.37 1xsi n ASN 517 N 1.15 -1.75 -4.20 -0.19 5.03 -1.26 -2.09 115.26 111.94 1xsi n ASN 517 Ca -0.04 0.14 -0.32 0.00 0.87 0.00 0.00 54.58 55.22 1xsi n ASN 517 Cb 0.50 -0.90 -0.17 0.00 -1.02 0.00 0.00 39.78 38.19 1xsi n ASN 517 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xsi s THR 518 N -1.49 2.13 0.10 3.41 2.01 -1.26 -4.70 115.64 115.84 1xsi s THR 518 Ca 0.00 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 1xsi s THR 518 Cb 0.00 -1.83 -0.06 0.00 0.01 0.00 0.00 72.50 70.62 1xsi s THR 518 CO 0.00 0.55 0.99 0.00 -0.69 0.00 0.00 174.62 175.47 1xsi s ALA 519 N 0.60 3.26 0.66 7.40 0.00 -1.26 -4.91 121.76 127.51 1xsi s ALA 519 Ca -0.12 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 1xsi s ALA 519 Cb -0.17 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1xsi s ALA 519 CO 0.03 -0.09 0.90 -2.30 0.00 0.00 0.00 175.76 174.29 1xsi n PRO 520 N 2.92 0.66 -0.25 0.00 -0.02 -1.26 -4.77 135.00 132.28 1xsi n PRO 520 Ca 0.03 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 1xsi n PRO 520 Cb 0.49 -2.13 0.18 0.00 -0.02 0.00 0.00 33.50 32.01 1xsi n PRO 520 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsi h ALA 521 N 0.08 0.95 -0.43 3.55 0.00 -1.96 -1.61 119.26 119.84 1xsi h ALA 521 Ca -0.48 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1xsi h ALA 521 Cb 1.35 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1xsi h ALA 521 CO 0.48 -0.32 0.25 1.12 0.00 0.00 0.00 179.25 180.78 1xsi h HIS 522 N 0.29 0.46 -0.58 0.00 2.07 -1.98 0.96 115.15 116.37 1xsi h HIS 522 Ca 0.41 0.02 0.05 0.00 -2.85 0.00 0.00 60.37 57.99 1xsi h HIS 522 Cb 0.68 -0.15 -0.05 0.00 2.57 0.00 0.00 27.41 30.47 1xsi h HIS 522 CO -0.25 0.26 0.30 0.28 -3.07 0.00 0.00 177.93 175.46 1xsi h VAL 523 N 0.50 0.96 -0.76 6.12 2.07 -1.71 -1.32 116.25 122.11 1xsi h VAL 523 Ca 0.17 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1xsi h VAL 523 Cb 0.02 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1xsi h VAL 523 CO -0.09 0.10 0.35 0.22 0.02 0.00 0.00 177.57 178.18 1xsi h TYR 524 N 0.57 1.10 -0.61 1.57 3.20 -0.53 -0.13 116.97 122.15 1xsi h TYR 524 Ca 0.26 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1xsi h TYR 524 Cb 0.16 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1xsi h TYR 524 CO -0.09 0.81 0.11 0.87 -1.64 0.00 0.00 178.16 178.22 1xsi h LYS 525 N 1.07 1.00 0.00 1.82 1.57 -0.69 -1.35 116.57 119.99 1xsi h LYS 525 Ca 0.26 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1xsi h LYS 525 Cb 0.14 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xsi h LYS 525 CO -0.03 0.94 -0.52 0.00 -0.57 0.00 0.00 179.45 179.26 1xsi h ARG 526 N 0.91 0.00 0.00 3.15 2.47 -0.89 -2.98 114.38 117.05 1xsi h ARG 526 Ca 0.19 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.70 1xsi h ARG 526 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1xsi h ARG 526 CO 0.01 0.52 -0.90 2.35 0.56 0.00 0.00 179.97 182.51 1xsi h TRP 527 N 0.00 0.38 -0.49 3.04 2.91 -0.69 -2.96 115.95 118.15 1xsi h TRP 527 Ca -0.01 -0.21 0.04 0.00 1.13 0.00 0.00 58.89 59.85 1xsi h TRP 527 Cb 0.99 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.55 1xsi h TRP 527 CO 0.00 1.03 0.24 0.00 -1.03 0.00 0.00 178.44 178.67 1xsi h ALA 529 N 1.27 -0.26 -0.08 0.00 0.00 -1.48 -0.48 119.26 118.23 1xsi h ALA 529 Ca 0.22 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1xsi h ALA 529 Cb 0.14 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1xsi h ALA 529 CO -0.16 -0.65 -0.33 0.35 0.00 0.00 0.00 179.25 178.46 1xsi h PHE 530 N -0.27 -0.91 -0.65 0.00 3.57 -1.34 -2.43 116.94 114.91 1xsi h PHE 530 Ca -0.02 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1xsi h PHE 530 Cb 0.22 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1xsi h PHE 530 CO -0.08 -0.41 0.40 0.78 -2.23 0.00 0.00 178.31 176.77 1xsi h GLY 531 N -0.44 0.93 1.92 2.40 0.00 -0.75 -1.23 103.07 105.89 1xsi h GLY 531 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1xsi h GLY 531 CO -0.32 0.25 0.00 1.04 0.00 0.00 0.00 176.54 177.51 1xsi n LEU 532 N -4.71 0.00 -0.98 3.11 7.99 -0.20 -2.56 117.00 119.66 1xsi n LEU 532 Ca 0.06 0.46 0.02 0.00 -0.01 0.00 0.00 56.01 56.54 1xsi n LEU 532 Cb 0.09 -0.46 0.22 0.00 -0.11 0.00 0.00 43.42 43.16 1xsi n LEU 532 CO 0.33 -0.12 0.69 0.18 -1.51 0.00 0.00 177.39 176.97 1xsi n LEU 533 N -1.46 3.91 -4.79 2.23 4.32 -0.53 -4.67 117.00 116.02 1xsi n LEU 533 Ca 0.06 -3.42 -0.25 0.00 -0.02 0.00 0.00 56.01 52.39 1xsi n LEU 533 Cb 0.24 -0.59 -0.06 0.00 -1.62 0.00 0.00 43.42 41.40 1xsi n LEU 533 CO 0.20 0.98 -0.11 -0.44 -1.22 0.00 0.00 177.39 176.80 1xsi s SER 534 N -2.31 4.53 0.04 -1.43 0.01 -0.82 -4.95 113.70 108.77 1xsi s SER 534 Ca 0.43 -1.09 -0.24 0.00 1.31 0.00 0.00 55.95 56.35 1xsi s SER 534 Cb 0.37 -0.29 -0.17 0.00 0.21 0.00 0.00 66.02 66.14 1xsi s SER 534 CO 0.04 -0.67 1.53 0.77 0.41 0.00 0.00 173.24 175.32 1xsi h SER 535 N 1.25 0.01 -4.40 2.44 4.64 -1.85 -3.43 113.55 112.22 1xsi h SER 535 Ca -0.42 -0.22 -0.69 0.00 -0.47 0.00 0.00 61.79 59.99 1xsi h SER 535 Cb 1.27 -0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.05 1xsi h SER 535 CO 0.66 0.23 -0.89 -1.00 -0.87 0.00 0.00 176.83 174.96 1xsi s HIS 536 N -5.31 2.34 -0.20 4.77 3.76 -1.19 -4.73 115.29 114.73 1xsi s HIS 536 Ca -0.14 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1xsi s HIS 536 Cb 0.04 -1.52 0.05 0.00 1.11 0.00 0.00 32.58 32.26 1xsi s HIS 536 CO 0.67 -0.10 -0.07 -1.12 -0.85 0.00 0.00 174.74 173.26 1xsi s SER 537 N -0.45 3.31 -0.06 1.40 0.01 -1.26 -4.28 113.70 112.37 1xsi s SER 537 Ca 0.05 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.41 1xsi s SER 537 Cb -0.11 -1.10 0.04 0.00 0.21 0.00 0.00 66.02 65.05 1xsi s SER 537 CO 0.01 -0.18 0.12 -0.60 0.41 0.00 0.00 173.24 173.00 1xsi s ARG 538 N 1.48 0.05 -0.43 12.44 3.52 -1.26 -1.13 118.95 133.63 1xsi s ARG 538 Ca -0.02 0.38 -0.22 0.00 -0.13 0.00 0.00 55.73 55.74 1xsi s ARG 538 Cb -0.16 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.02 1xsi s ARG 538 CO -0.08 -0.20 0.74 -0.51 -0.81 0.00 0.00 175.30 174.45 1xsi s LEU 539 N 1.41 4.28 -0.07 -0.88 1.43 0.44 -1.28 118.68 124.01 1xsi s LEU 539 Ca -0.06 -0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1xsi s LEU 539 Cb -0.12 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1xsi s LEU 539 CO -0.05 -0.84 0.20 -2.28 0.23 0.00 0.00 176.35 173.61 1xsi s HIS 540 N 3.13 -0.21 0.13 0.29 2.46 -1.26 -1.98 115.29 117.84 1xsi s HIS 540 Ca 0.28 0.52 0.01 0.00 0.47 0.00 0.00 55.06 56.34 1xsi s HIS 540 Cb -0.13 0.07 -0.04 0.00 -0.13 0.00 0.00 32.58 32.35 1xsi s HIS 540 CO 0.21 -0.12 -0.02 0.20 -2.47 0.00 0.00 174.74 172.54 1xsi s GLY 541 N 0.03 0.96 -0.07 1.59 0.00 -1.26 -4.37 107.32 104.19 1xsi s GLY 541 Ca -0.01 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.25 1xsi s GLY 541 CO 0.00 -1.46 -0.01 0.23 0.00 0.00 0.00 173.10 171.86 1xsi h SER 542 N 2.85 0.00 -0.00 1.64 0.87 -1.14 -1.99 113.55 115.78 1xsi h SER 542 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1xsi h SER 542 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xsi h SER 542 CO 0.63 0.38 -0.36 0.29 -0.53 0.00 0.00 176.83 177.23 1xsi n LYS 543 N -3.97 2.78 -4.06 2.24 5.02 -1.26 -1.33 118.16 117.57 1xsi n LYS 543 Ca -0.01 -0.32 -0.07 0.00 -2.02 0.00 0.00 58.31 55.89 1xsi n LYS 543 Cb 0.02 -1.06 -0.10 0.00 -0.02 0.00 0.00 35.03 33.88 1xsi n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xsi s SER 544 N -1.73 0.43 0.59 4.39 1.04 -1.26 -4.52 113.70 112.64 1xsi s SER 544 Ca 0.07 -0.97 -0.18 0.00 0.48 0.00 0.00 55.95 55.35 1xsi s SER 544 Cb 0.08 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1xsi s SER 544 CO 0.36 -0.63 1.13 -0.31 0.98 0.00 0.00 173.24 174.77 1xsi s TYR 545 N -3.92 2.61 -0.40 5.02 2.02 -1.26 -4.24 117.35 117.18 1xsi s TYR 545 Ca 0.08 1.55 0.13 0.00 -0.37 0.00 0.00 57.07 58.46 1xsi s TYR 545 Cb 0.08 -3.27 0.38 0.00 -0.40 0.00 0.00 41.96 38.74 1xsi s TYR 545 CO -0.09 -1.70 1.30 0.54 -1.57 0.00 0.00 175.55 174.02 1xsi n ARG 546 N -1.74 2.73 -2.24 -0.62 5.12 -1.26 -4.95 116.66 113.69 1xsi n ARG 546 Ca 0.11 -2.43 -0.41 0.00 -1.93 0.00 0.00 57.85 53.20 1xsi n ARG 546 Cb 0.51 -1.54 -0.03 0.00 -1.16 0.00 0.00 32.46 30.24 1xsi n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1xsi s VAL 547 N -2.07 3.04 0.44 1.55 -7.23 -1.26 -4.91 120.40 109.97 1xsi s VAL 547 Ca 0.31 1.00 0.22 0.00 -1.81 0.00 0.00 61.98 61.70 1xsi s VAL 547 Cb 0.23 -3.64 0.25 0.00 0.56 0.00 0.00 36.38 33.78 1xsi s VAL 547 CO 0.10 0.22 2.05 1.55 -0.31 0.00 0.00 175.10 178.71 1xsi h PRO 548 N 3.96 0.00 0.00 4.82 0.13 -1.94 -2.44 132.00 136.53 1xsi h PRO 548 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xsi h PRO 548 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xsi h PRO 548 CO 0.69 0.14 0.00 -2.67 -0.23 0.00 0.00 178.00 175.92 1xsi n TRP 549 N -3.94 0.00 0.36 1.56 2.14 -1.26 -2.06 117.44 114.24 1xsi n TRP 549 Ca -0.02 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.69 1xsi n TRP 549 Cb 0.23 -0.36 0.45 0.00 -0.81 0.00 0.00 31.31 30.82 1xsi n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsi h ALA 550 N 2.75 1.00 0.00 -1.67 0.00 -1.81 -3.38 119.26 116.15 1xsi h ALA 550 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsi h ALA 550 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xsi h ALA 550 CO 0.00 0.00 -0.58 0.66 0.00 0.00 0.00 179.25 179.33 1xsi n TYR 551 N -2.73 0.07 -3.84 0.00 4.02 -0.87 -5.10 117.16 108.71 1xsi n TYR 551 Ca 0.03 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1xsi n TYR 551 Cb 0.37 -0.34 0.01 0.00 -0.02 0.00 0.00 39.34 39.36 1xsi n TYR 551 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xsi s ASP 552 N -5.13 -0.03 0.13 7.72 1.47 -1.21 -4.87 116.67 114.75 1xsi s ASP 552 Ca -0.17 -0.33 -0.19 0.00 1.18 0.00 0.00 52.55 53.04 1xsi s ASP 552 Cb 0.02 0.28 -0.05 0.00 -0.34 0.00 0.00 42.92 42.83 1xsi s ASP 552 CO 0.25 -0.54 1.78 0.44 0.68 0.00 0.00 175.17 177.77 1xsi h ASP 553 N 2.00 0.23 -0.81 2.11 3.32 -1.89 -2.90 116.42 118.48 1xsi h ASP 553 Ca -0.26 -0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.98 1xsi h ASP 553 Cb 1.20 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 1xsi h ASP 553 CO 0.31 0.17 0.55 -0.08 -1.72 0.00 0.00 179.24 178.47 1xsi h GLU 554 N 0.29 0.27 -0.45 3.56 4.81 -1.96 -0.56 114.58 120.53 1xsi h GLU 554 Ca 0.09 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1xsi h GLU 554 Cb -0.01 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1xsi h GLU 554 CO -0.03 0.18 0.13 0.77 -0.73 0.00 0.00 179.01 179.32 1xsi h SER 555 N 0.28 0.62 -0.43 1.04 0.02 -1.79 0.30 113.55 113.57 1xsi h SER 555 Ca 0.40 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1xsi h SER 555 Cb 1.16 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1xsi h SER 555 CO -0.11 0.60 0.07 0.00 -1.14 0.00 0.00 176.83 176.25 1xsi h ASP 557 N 0.58 1.06 -0.14 0.00 3.32 -1.04 0.49 116.42 120.68 1xsi h ASP 557 Ca 0.13 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1xsi h ASP 557 Cb 0.38 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xsi h ASP 557 CO 0.01 0.77 -0.01 0.58 -1.72 0.00 0.00 179.24 178.87 1xsi h VAL 558 N 1.25 1.26 -0.46 -1.35 2.07 -0.76 0.15 116.25 118.40 1xsi h VAL 558 Ca 0.34 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1xsi h VAL 558 Cb -0.14 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1xsi h VAL 558 CO -0.07 0.25 0.28 0.58 0.02 0.00 0.00 177.57 178.63 1xsi h VAL 559 N -0.02 1.15 0.22 2.57 2.07 -1.02 -0.28 116.25 120.94 1xsi h VAL 559 Ca 0.04 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xsi h VAL 559 Cb 0.38 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1xsi h VAL 559 CO 0.01 0.15 -0.12 -0.09 0.02 0.00 0.00 177.57 177.54 1xsi h ARG 560 N 0.62 -0.30 -0.31 1.57 2.43 -0.80 0.16 114.38 117.75 1xsi h ARG 560 Ca 0.17 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1xsi h ARG 560 Cb -0.00 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1xsi h ARG 560 CO -0.03 -0.20 0.17 0.35 -1.51 0.00 0.00 179.97 178.75 1xsi h PHE 561 N -0.31 0.32 0.00 2.20 3.04 -0.48 -0.88 116.94 120.83 1xsi h PHE 561 Ca -0.03 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 1xsi h PHE 561 Cb 0.25 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1xsi h PHE 561 CO -0.07 0.18 -0.79 0.74 -2.02 0.00 0.00 178.31 176.35 1xsi h PHE 562 N 0.35 0.00 -0.46 0.41 0.04 -0.96 -1.71 116.94 114.60 1xsi h PHE 562 Ca 0.12 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 1xsi h PHE 562 Cb 0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1xsi h PHE 562 CO -0.08 0.79 0.03 1.15 -0.60 0.00 0.00 178.31 179.60 1xsi h THR 563 N 0.00 1.26 -0.00 -1.55 2.02 -0.79 -1.01 112.91 112.83 1xsi h THR 563 Ca -0.01 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.19 1xsi h THR 563 Cb 1.59 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1xsi h THR 563 CO 0.10 0.35 -0.07 1.56 0.37 0.00 0.00 175.52 177.83 1xsi h GLN 564 N 0.65 -0.12 0.18 6.66 4.20 -1.19 -1.79 115.11 123.70 1xsi h GLN 564 Ca 0.14 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.87 1xsi h GLN 564 Cb 0.46 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1xsi h GLN 564 CO 0.02 -0.08 -0.28 1.25 -0.67 0.00 0.00 178.83 179.06 1xsi h LEU 565 N -0.12 -0.80 -0.85 1.46 5.85 -1.19 -0.83 115.31 118.83 1xsi h LEU 565 Ca 0.03 0.09 0.17 0.00 0.84 0.00 0.00 57.88 59.01 1xsi h LEU 565 Cb 0.16 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 1xsi h LEU 565 CO -0.07 -0.39 0.39 0.50 -0.34 0.00 0.00 178.44 178.53 1xsi h LYS 566 N -0.54 0.50 -0.50 1.25 3.64 -1.09 -0.53 116.57 119.30 1xsi h LYS 566 Ca 0.02 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1xsi h LYS 566 Cb 0.54 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1xsi h LYS 566 CO -0.13 0.33 -0.08 0.00 -2.27 0.00 0.00 179.45 177.30 1xsi h ARG 568 N 0.80 1.10 0.00 0.00 3.08 -0.22 -2.38 114.38 116.77 1xsi h ARG 568 Ca 0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xsi h ARG 568 Cb 0.63 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1xsi h ARG 568 CO 0.04 0.73 0.00 -1.33 -1.07 0.00 0.00 179.97 178.34 1xsi n MET 569 N -4.46 0.48 -0.26 0.04 2.81 -0.30 -0.30 117.12 115.14 1xsi n MET 569 Ca 0.13 0.05 0.08 0.00 -1.81 0.00 0.00 57.70 56.15 1xsi n MET 569 Cb 0.13 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.47 1xsi n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsi h MET 570 N 0.00 0.78 -0.48 0.03 2.86 -1.19 0.12 114.93 117.05 1xsi h MET 570 Ca 0.00 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1xsi h MET 570 Cb 0.12 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1xsi h MET 570 CO 0.00 0.52 0.32 -1.35 1.06 0.00 0.00 176.91 177.46 1xsi h PRO 571 N 0.81 0.45 0.11 -0.22 0.11 -1.78 -0.27 132.00 131.20 1xsi h PRO 571 Ca 0.40 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.33 1xsi h PRO 571 Cb 0.46 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.48 1xsi h PRO 571 CO -0.17 0.30 -0.71 -0.92 -0.21 0.00 0.00 178.00 176.29 1xsi h TYR 572 N 0.46 0.41 -0.34 0.65 3.20 -1.14 -3.33 116.97 116.88 1xsi h TYR 572 Ca 0.20 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1xsi h TYR 572 Cb 0.23 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1xsi h TYR 572 CO -0.00 1.27 0.17 -0.07 -1.64 0.00 0.00 178.16 177.89 1xsi h LEU 573 N -0.51 0.44 -1.03 2.82 4.07 -0.24 -2.50 115.31 118.36 1xsi h LEU 573 Ca -0.13 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.65 1xsi h LEU 573 Cb 1.51 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.13 1xsi h LEU 573 CO 0.10 0.43 -0.32 0.22 -1.08 0.00 0.00 178.44 177.79 1xsi h TYR 574 N 0.42 0.00 -0.42 1.13 3.20 -1.25 0.60 116.97 120.64 1xsi h TYR 574 Ca 0.12 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1xsi h TYR 574 Cb 0.10 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1xsi h TYR 574 CO -0.02 0.32 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.49 1xsi h ARG 575 N 0.00 0.85 0.00 1.82 9.65 -1.63 -1.39 114.38 123.68 1xsi h ARG 575 Ca -0.00 -0.36 -0.11 0.00 -1.10 0.00 0.00 59.98 58.41 1xsi h ARG 575 Cb 0.83 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 1xsi h ARG 575 CO 0.04 1.00 -0.51 0.93 2.80 0.00 0.00 179.97 184.23 1xsi h GLU 576 N 0.74 0.00 -0.38 0.20 4.39 -0.81 -2.68 114.58 116.04 1xsi h GLU 576 Ca 0.10 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1xsi h GLU 576 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1xsi h GLU 576 CO 0.06 0.51 -0.07 0.00 -1.16 0.00 0.00 179.01 178.35 1xsi h ALA 577 N 1.49 0.52 -0.02 3.43 0.00 -0.74 -2.61 119.26 121.34 1xsi h ALA 577 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1xsi h ALA 577 Cb 0.94 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xsi h ALA 577 CO 0.07 0.36 0.02 0.00 0.00 0.00 0.00 179.25 179.70 1xsi h ALA 578 N 0.84 1.92 -0.24 0.00 0.00 -1.10 -1.66 119.26 119.02 1xsi h ALA 578 Ca 0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1xsi h ALA 578 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xsi h ALA 578 CO 0.03 -0.03 -0.42 -0.09 0.00 0.00 0.00 179.25 178.74 1xsi h ARG 579 N 0.00 0.59 -0.57 0.00 2.43 -1.13 0.15 114.38 115.85 1xsi h ARG 579 Ca 0.01 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 1xsi h ARG 579 Cb 0.05 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1xsi h ARG 579 CO -0.00 0.91 0.20 0.00 -1.51 0.00 0.00 179.97 179.56 1xsi h ALA 580 N 1.05 0.74 -0.60 2.80 0.00 -1.05 -0.38 119.26 121.82 1xsi h ALA 580 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1xsi h ALA 580 Cb 0.94 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1xsi h ALA 580 CO 0.08 0.39 0.18 -0.97 0.00 0.00 0.00 179.25 178.94 1xsi h ASN 581 N 0.79 0.84 0.25 0.00 -0.73 -0.68 -1.10 115.58 114.94 1xsi h ASN 581 Ca 0.19 -0.14 -0.34 0.00 1.87 0.00 0.00 56.30 57.88 1xsi h ASN 581 Cb 0.25 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 1xsi h ASN 581 CO -0.01 0.79 -1.93 0.00 -0.37 0.00 0.00 177.43 175.92 1xsi n ALA 582 N -2.46 1.14 -0.25 1.57 0.00 0.48 -4.53 120.51 116.46 1xsi n ALA 582 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1xsi n ALA 582 Cb 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1xsi n ALA 582 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsi n ARG 583 N -3.30 0.00 -1.13 0.00 1.74 -0.16 -5.01 116.66 108.80 1xsi n ARG 583 Ca -0.27 -0.59 -0.05 0.00 -0.77 0.00 0.00 57.85 56.17 1xsi n ARG 583 Cb 1.05 -0.87 -0.02 0.00 -1.02 0.00 0.00 32.46 31.60 1xsi n ARG 583 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsi n GLY 584 N -0.09 0.64 3.59 -0.13 0.00 -0.42 -3.16 105.19 105.62 1xsi n GLY 584 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1xsi n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsi s THR 585 N -1.84 4.07 0.81 2.61 2.01 -1.22 -4.81 115.64 117.27 1xsi s THR 585 Ca 0.00 1.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.89 1xsi s THR 585 Cb 0.00 -4.63 0.08 0.00 0.01 0.00 0.00 72.50 67.96 1xsi s THR 585 CO 0.00 -1.16 1.17 -0.81 -0.69 0.00 0.00 174.62 173.13 1xsi n PRO 586 N 8.18 0.19 0.09 4.92 -0.04 -1.26 -2.89 135.00 144.19 1xsi n PRO 586 Ca 0.11 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1xsi n PRO 586 Cb 0.49 -2.41 0.02 0.00 -0.04 0.00 0.00 33.50 31.56 1xsi n PRO 586 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1xsi h MET 587 N -0.89 0.08 -4.47 0.54 2.86 -1.64 -3.41 114.93 108.01 1xsi h MET 587 Ca -0.46 -0.09 -0.72 0.00 -2.06 0.00 0.00 59.70 56.36 1xsi h MET 587 Cb 1.30 0.03 -0.22 0.00 0.06 0.00 0.00 31.60 32.77 1xsi h MET 587 CO 0.46 0.86 -0.42 1.41 1.06 0.00 0.00 176.91 180.27 1xsi s MET 588 N -3.21 2.93 -0.10 1.72 -2.45 -1.26 -0.17 119.30 116.76 1xsi s MET 588 Ca -0.01 -1.12 0.03 0.00 -1.25 0.00 0.00 55.69 53.33 1xsi s MET 588 Cb 0.11 -3.97 -0.01 0.00 1.25 0.00 0.00 34.83 32.21 1xsi s MET 588 CO 0.81 -0.81 -0.18 1.03 1.05 0.00 0.00 175.02 176.91 1xsi s ARG 589 N 1.64 3.03 0.31 4.11 0.52 0.09 -4.75 118.95 123.91 1xsi s ARG 589 Ca 0.04 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.20 1xsi s ARG 589 Cb -0.20 -2.43 -0.13 0.00 0.52 0.00 0.00 34.95 32.70 1xsi s ARG 589 CO 0.08 0.29 1.14 0.00 0.02 0.00 0.00 175.30 176.83 1xsi n ALA 590 N 3.25 0.45 -0.23 2.13 0.00 -1.26 -0.08 120.51 124.78 1xsi n ALA 590 Ca -0.18 0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.67 1xsi n ALA 590 Cb 0.53 -2.12 0.14 0.00 0.00 0.00 0.00 19.45 17.99 1xsi n ALA 590 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xsi h MET 591 N 2.25 0.15 -0.79 0.00 0.00 -1.80 -0.18 114.93 114.55 1xsi h MET 591 Ca -0.42 -0.01 0.12 0.00 0.00 0.00 0.00 59.70 59.39 1xsi h MET 591 Cb 1.31 -0.03 -0.06 0.00 0.00 0.00 0.00 31.60 32.83 1xsi h MET 591 CO 0.61 0.10 0.52 0.00 0.00 0.00 0.00 176.91 178.14 1xsi h MET 592 N 0.15 0.60 -0.47 1.72 -0.00 -1.83 -0.58 114.93 114.53 1xsi h MET 592 Ca 0.37 -0.04 -0.09 0.00 -0.00 0.00 0.00 59.70 59.94 1xsi h MET 592 Cb 0.63 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 32.07 1xsi h MET 592 CO -0.56 0.40 -0.07 1.98 -0.00 0.00 0.00 176.91 178.66 1xsi h MET 593 N 0.62 0.83 0.00 -0.10 1.85 -1.39 -2.78 114.93 113.97 1xsi h MET 593 Ca 0.38 -0.26 -0.15 0.00 -0.61 0.00 0.00 59.70 59.05 1xsi h MET 593 Cb 0.61 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.54 1xsi h MET 593 CO -0.15 0.88 -1.11 1.49 -0.40 0.00 0.00 176.91 177.63 1xsi h GLU 594 N 0.76 0.00 -2.05 0.39 4.57 -1.01 -3.40 114.58 113.84 1xsi h GLU 594 Ca 0.13 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.75 1xsi h GLU 594 Cb 0.56 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.75 1xsi h GLU 594 CO 0.03 0.39 -0.99 1.19 -1.18 0.00 0.00 179.01 178.45 1xsi n PHE 595 N -3.01 0.75 0.38 0.92 3.01 -0.34 -4.96 117.46 114.21 1xsi n PHE 595 Ca -0.06 -3.74 0.10 0.00 1.01 0.00 0.00 57.45 54.76 1xsi n PHE 595 Cb 0.81 -0.41 0.42 0.00 -0.01 0.00 0.00 39.48 40.29 1xsi n PHE 595 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xsi n PRO 596 N 1.10 0.12 -0.08 -1.08 -0.04 -1.05 -2.24 135.00 131.73 1xsi n PRO 596 Ca 0.24 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 1xsi n PRO 596 Cb 0.51 -1.75 0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1xsi n PRO 596 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xsi n ASP 597 N -1.98 3.00 -4.51 3.54 8.00 -1.26 -4.86 116.55 118.47 1xsi n ASP 597 Ca 0.02 -1.91 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 1xsi n ASP 597 Cb 0.18 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 1xsi n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsi s ASP 598 N -1.57 6.33 0.33 -2.24 -1.08 -0.95 -4.91 116.67 112.59 1xsi s ASP 598 Ca 0.29 -0.37 0.25 0.00 -0.52 0.00 0.00 52.55 52.21 1xsi s ASP 598 Cb 0.19 -2.35 1.17 0.00 -1.46 0.00 0.00 42.92 40.47 1xsi s ASP 598 CO 0.27 -0.90 1.77 1.55 0.52 0.00 0.00 175.17 178.38 1xsi h PRO 599 N 8.98 0.00 0.00 4.34 0.13 -1.89 -1.11 132.00 142.46 1xsi h PRO 599 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xsi h PRO 599 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xsi h PRO 599 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 1xsi n ALA 600 N -1.83 2.16 1.09 -0.56 0.00 -1.26 -3.85 120.51 116.26 1xsi n ALA 600 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1xsi n ALA 600 Cb 0.17 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.35 1xsi n ALA 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsi h ASP 602 N 1.54 1.08 -0.20 0.00 3.32 -1.74 -2.89 116.42 117.53 1xsi h ASP 602 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xsi h ASP 602 Cb 0.62 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1xsi h ASP 602 CO 0.00 0.72 0.00 -1.22 -1.72 0.00 0.00 179.24 177.02 1xsi n TYR 603 N -4.45 0.26 -1.99 4.55 4.01 -1.26 -4.86 117.16 113.42 1xsi n TYR 603 Ca 0.14 -0.24 -0.43 0.00 -0.16 0.00 0.00 57.90 57.22 1xsi n TYR 603 Cb 0.12 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 1xsi n TYR 603 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsi s LEU 604 N -1.05 4.05 0.00 7.72 1.43 -1.09 -4.82 118.68 124.92 1xsi s LEU 604 Ca 0.21 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1xsi s LEU 604 Cb 0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1xsi s LEU 604 CO 0.18 -1.19 0.19 -0.90 0.23 0.00 0.00 176.35 174.85 1xsi n ASP 605 N 8.20 0.37 -0.98 2.29 3.85 -1.26 -4.51 116.55 124.51 1xsi n ASP 605 Ca 0.19 -0.75 0.09 0.00 -0.71 0.00 0.00 54.79 53.62 1xsi n ASP 605 Cb 0.44 0.21 0.23 0.00 -1.35 0.00 0.00 41.12 40.65 1xsi n ASP 605 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsi n ARG 606 N -0.21 2.71 -3.96 0.11 1.74 -1.26 -4.50 116.66 111.29 1xsi n ARG 606 Ca 0.00 -2.31 -0.09 0.00 -0.77 0.00 0.00 57.85 54.68 1xsi n ARG 606 Cb 0.07 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 1xsi n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsi s GLN 607 N -1.03 1.47 0.12 5.56 -2.07 -1.26 -3.82 119.66 118.62 1xsi s GLN 607 Ca 0.35 -1.19 -0.25 0.00 -1.82 0.00 0.00 55.36 52.45 1xsi s GLN 607 Cb 0.19 0.46 0.07 0.00 -1.09 0.00 0.00 33.01 32.64 1xsi s GLN 607 CO 0.25 -0.60 0.80 1.52 -1.32 0.00 0.00 175.29 175.93 1xsi s TYR 608 N -3.99 -0.33 -0.16 9.60 -0.85 0.53 -4.54 117.35 117.61 1xsi s TYR 608 Ca 0.20 0.09 -0.15 0.00 -0.52 0.00 0.00 57.07 56.69 1xsi s TYR 608 Cb -0.00 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 1xsi s TYR 608 CO 0.06 -0.79 0.35 -1.64 -1.52 0.00 0.00 175.55 172.01 1xsi s MET 609 N -3.45 4.26 -0.55 -3.49 -1.94 0.89 -0.14 119.30 114.88 1xsi s MET 609 Ca 0.06 0.19 -0.17 0.00 -1.71 0.00 0.00 55.69 54.07 1xsi s MET 609 Cb -0.02 -3.45 0.12 0.00 2.01 0.00 0.00 34.83 33.49 1xsi s MET 609 CO -0.05 0.16 0.55 -1.17 -0.01 0.00 0.00 175.02 174.50 1xsi s LEU 610 N 0.68 5.95 0.00 -0.03 2.96 0.66 -0.73 118.68 128.17 1xsi s LEU 610 Ca 0.19 -1.67 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 1xsi s LEU 610 Cb -0.14 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1xsi s LEU 610 CO 0.06 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 174.79 1xsi n GLY 611 N 5.26 -0.22 0.18 7.98 0.00 0.76 -3.69 105.19 115.45 1xsi n GLY 611 Ca -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 44.90 1xsi n GLY 611 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xsi h ASP 612 N 0.00 0.03 0.00 1.61 3.32 -1.91 -3.39 116.42 116.08 1xsi h ASP 612 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xsi h ASP 612 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1xsi h ASP 612 CO 0.00 0.44 0.00 0.59 -1.72 0.00 0.00 179.24 178.55 1xsi n ASN 613 N -4.04 0.13 -4.23 6.45 3.02 -1.26 -4.98 115.26 110.35 1xsi n ASN 613 Ca -0.02 -0.54 -0.32 0.00 -0.03 0.00 0.00 54.58 53.67 1xsi n ASN 613 Cb 0.45 0.80 -0.17 0.00 -0.61 0.00 0.00 39.78 40.24 1xsi n ASN 613 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsi s VAL 614 N -0.80 2.05 -0.25 2.41 0.11 -1.24 -1.79 120.40 120.89 1xsi s VAL 614 Ca 0.00 -1.03 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 1xsi s VAL 614 Cb 0.00 -1.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 1xsi s VAL 614 CO 0.00 0.56 0.29 -0.32 -3.33 0.00 0.00 175.10 172.30 1xsi s MET 615 N 0.23 4.05 -0.06 1.54 1.75 0.31 -0.25 119.30 126.87 1xsi s MET 615 Ca -0.15 -0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.25 1xsi s MET 615 Cb -0.17 -3.60 -0.03 0.00 2.84 0.00 0.00 34.83 33.87 1xsi s MET 615 CO 0.08 -0.12 -0.13 0.54 -0.65 0.00 0.00 175.02 174.73 1xsi s VAL 616 N 1.60 3.17 -0.42 10.11 0.11 0.81 -1.92 120.40 133.86 1xsi s VAL 616 Ca 0.13 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1xsi s VAL 616 Cb -0.15 -2.26 0.13 0.00 -1.53 0.00 0.00 36.38 32.57 1xsi s VAL 616 CO 0.08 0.59 0.21 0.00 -3.33 0.00 0.00 175.10 172.65 1xsi s ALA 617 N -0.67 2.11 0.94 1.54 0.00 -0.86 -0.34 121.76 124.48 1xsi s ALA 617 Ca 0.10 -2.48 -0.11 0.00 0.00 0.00 0.00 51.96 49.47 1xsi s ALA 617 Cb -0.11 -1.86 0.11 0.00 0.00 0.00 0.00 23.12 21.26 1xsi s ALA 617 CO 0.01 -2.00 0.86 -2.30 0.00 0.00 0.00 175.76 172.33 1xsi n PRO 618 N 3.74 -0.46 -3.89 0.00 -0.02 -1.25 -4.02 135.00 129.11 1xsi n PRO 618 Ca 0.07 -0.08 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1xsi n PRO 618 Cb 0.36 -2.17 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 1xsi n PRO 618 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsi s VAL 619 N -2.54 4.49 -0.35 -1.45 1.01 -1.26 -4.97 120.40 115.33 1xsi s VAL 619 Ca 0.63 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1xsi s VAL 619 Cb -0.22 -3.07 0.58 0.00 0.00 0.00 0.00 36.38 33.68 1xsi s VAL 619 CO 0.62 0.39 1.66 0.49 0.00 0.00 0.00 175.10 178.25 1xsi n PHE 620 N 4.36 1.93 -4.04 5.22 3.72 -1.26 -4.85 117.46 122.53 1xsi n PHE 620 Ca -0.16 -1.66 -0.09 0.00 -0.05 0.00 0.00 57.45 55.49 1xsi n PHE 620 Cb 0.52 -0.68 -0.11 0.00 -0.94 0.00 0.00 39.48 38.28 1xsi n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsi s THR 621 N -3.24 0.23 0.10 4.37 -4.23 -1.26 -4.92 115.64 106.68 1xsi s THR 621 Ca 0.50 -1.31 -0.22 0.00 -1.18 0.00 0.00 61.69 59.48 1xsi s THR 621 Cb 0.44 -0.84 -0.12 0.00 1.34 0.00 0.00 72.50 73.32 1xsi s THR 621 CO 0.05 -0.69 1.74 -0.08 -0.54 0.00 0.00 174.62 175.10 1xsi h GLU 622 N 3.99 0.04 0.00 3.99 4.81 -1.93 -3.10 114.58 122.38 1xsi h GLU 622 Ca -0.33 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1xsi h GLU 622 Cb 1.18 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1xsi h GLU 622 CO 0.51 0.02 -0.08 0.00 -0.73 0.00 0.00 179.01 178.73 1xsi h ALA 623 N 1.05 1.00 0.00 2.92 0.00 -1.97 -3.46 119.26 118.80 1xsi h ALA 623 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xsi h ALA 623 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xsi h ALA 623 CO -0.04 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1xsi n GLY 624 N 0.22 1.08 3.77 0.00 0.00 -1.17 -4.45 105.19 104.64 1xsi n GLY 624 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1xsi n GLY 624 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsi s ASP 625 N -2.00 6.72 -0.28 1.61 1.01 -1.26 -0.21 116.67 122.27 1xsi s ASP 625 Ca 0.00 2.34 -0.22 0.00 0.71 0.00 0.00 52.55 55.38 1xsi s ASP 625 Cb 0.00 -2.62 0.08 0.00 1.01 0.00 0.00 42.92 41.40 1xsi s ASP 625 CO 0.00 -0.54 0.78 0.54 0.21 0.00 0.00 175.17 176.16 1xsi s VAL 626 N -1.35 0.00 -0.06 -1.27 0.11 -0.67 -4.41 120.40 112.75 1xsi s VAL 626 Ca 0.54 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.64 1xsi s VAL 626 Cb -0.31 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1xsi s VAL 626 CO 0.40 0.00 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.84 1xsi s GLN 627 N 0.69 2.58 0.04 1.54 -0.21 -1.26 -1.53 119.66 121.51 1xsi s GLN 627 Ca -0.02 -0.87 -0.09 0.00 0.02 0.00 0.00 55.36 54.41 1xsi s GLN 627 Cb -0.05 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1xsi s GLN 627 CO -0.06 0.41 0.17 -0.59 -2.12 0.00 0.00 175.29 173.11 1xsi s PHE 628 N -0.22 0.08 -0.02 0.91 -0.12 -0.43 -4.97 117.98 113.21 1xsi s PHE 628 Ca -0.01 -0.32 -0.03 0.00 -0.05 0.00 0.00 56.93 56.52 1xsi s PHE 628 Cb -0.13 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1xsi s PHE 628 CO 0.03 -0.42 0.15 -0.47 -0.05 0.00 0.00 175.22 174.47 1xsi s TYR 629 N -2.57 3.48 -0.12 3.49 5.04 -1.26 -0.87 117.35 124.54 1xsi s TYR 629 Ca -0.05 0.34 0.01 0.00 -2.44 0.00 0.00 57.07 54.93 1xsi s TYR 629 Cb -0.01 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.50 1xsi s TYR 629 CO -0.04 0.63 -0.16 -0.51 -1.34 0.00 0.00 175.55 174.13 1xsi s LEU 630 N -1.77 1.77 1.30 6.97 1.02 0.22 -4.98 118.68 123.21 1xsi s LEU 630 Ca 0.25 -0.47 -0.19 0.00 0.02 0.00 0.00 54.13 53.73 1xsi s LEU 630 Cb -0.12 -1.17 0.32 0.00 0.02 0.00 0.00 46.19 45.24 1xsi s LEU 630 CO 0.16 0.00 1.00 -2.84 0.02 0.00 0.00 176.35 174.69 1xsi s PRO 631 N 1.11 -1.99 0.46 1.29 0.02 -1.26 0.57 135.00 135.19 1xsi s PRO 631 Ca -0.03 0.24 -0.24 0.00 0.02 0.00 0.00 61.00 60.98 1xsi s PRO 631 Cb -0.14 -1.48 -0.09 0.00 0.02 0.00 0.00 34.50 32.81 1xsi s PRO 631 CO -0.04 -4.28 1.26 -1.91 -0.33 0.00 0.00 177.00 171.69 1xsi n GLU 632 N -5.22 1.80 0.00 5.54 2.13 -1.26 -2.45 120.64 121.17 1xsi n GLU 632 Ca 0.10 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1xsi n GLU 632 Cb 0.59 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1xsi n GLU 632 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsi n GLY 633 N 0.84 2.45 3.53 8.31 0.00 -1.26 -4.83 105.19 114.23 1xsi n GLY 633 Ca 0.08 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1xsi n GLY 633 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xsi s ARG 634 N -2.01 3.48 0.35 1.61 3.52 -1.26 0.05 118.95 124.69 1xsi s ARG 634 Ca 0.00 -0.64 -0.04 0.00 -0.13 0.00 0.00 55.73 54.91 1xsi s ARG 634 Cb 0.00 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 1xsi s ARG 634 CO 0.00 -0.46 0.62 -1.58 -0.81 0.00 0.00 175.30 173.07 1xsi s TRP 635 N 1.74 3.50 -0.02 5.12 0.52 0.49 -3.45 118.94 126.83 1xsi s TRP 635 Ca 0.06 0.65 0.02 0.00 0.02 0.00 0.00 56.10 56.86 1xsi s TRP 635 Cb -0.17 -2.13 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 1xsi s TRP 635 CO 0.11 0.05 -0.08 0.99 0.02 0.00 0.00 176.95 178.04 1xsi s THR 636 N -2.28 0.70 0.06 2.01 2.01 -0.50 -0.68 115.64 116.96 1xsi s THR 636 Ca 0.44 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.81 1xsi s THR 636 Cb -0.10 -0.62 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 1xsi s THR 636 CO 0.34 0.22 1.36 -2.28 -0.69 0.00 0.00 174.62 173.56 1xsi s HIS 637 N 0.11 3.14 0.45 4.92 2.46 0.68 -0.18 115.29 126.87 1xsi s HIS 637 Ca -0.02 0.97 0.26 0.00 0.47 0.00 0.00 55.06 56.75 1xsi s HIS 637 Cb -0.07 -3.62 1.30 0.00 -0.13 0.00 0.00 32.58 30.05 1xsi s HIS 637 CO 0.00 -2.19 1.74 1.25 -2.47 0.00 0.00 174.74 173.07 1xsi h LEU 638 N 7.35 0.28 0.00 8.88 5.85 -0.98 -1.91 115.31 134.78 1xsi h LEU 638 Ca -0.40 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xsi h LEU 638 Cb 1.20 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1xsi h LEU 638 CO 0.87 0.00 -0.35 -2.67 -0.34 0.00 0.00 178.44 175.95 1xsi n TRP 639 N -4.52 0.00 0.20 1.25 2.14 -1.26 -4.71 117.44 110.54 1xsi n TRP 639 Ca 0.29 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.94 1xsi n TRP 639 Cb 1.12 0.00 0.33 0.00 -0.81 0.00 0.00 31.31 31.95 1xsi n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsi h HIS 640 N 0.00 0.00 0.00 -2.67 3.86 -1.93 -3.48 115.15 110.93 1xsi h HIS 640 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsi h HIS 640 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1xsi h HIS 640 CO 0.00 0.27 0.00 -1.71 0.86 0.00 0.00 177.93 177.35 1xsi n ASN 641 N -3.32 -1.60 -4.80 2.45 5.15 -0.72 -4.93 115.26 107.49 1xsi n ASN 641 Ca 0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.66 1xsi n ASN 641 Cb 0.51 -1.50 0.01 0.00 -0.53 0.00 0.00 39.78 38.27 1xsi n ASN 641 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1xsi s ASP 642 N -2.33 5.78 0.03 1.20 -4.77 -1.26 -4.52 116.67 110.81 1xsi s ASP 642 Ca 0.00 1.84 0.06 0.00 -3.30 0.00 0.00 52.55 51.15 1xsi s ASP 642 Cb 0.00 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.26 1xsi s ASP 642 CO 0.00 -1.17 -0.15 -1.61 0.70 0.00 0.00 175.17 172.94 1xsi s GLU 643 N -4.02 2.21 0.05 2.11 2.02 -1.26 -0.23 118.70 119.59 1xsi s GLU 643 Ca 0.64 -0.91 0.04 0.00 0.02 0.00 0.00 54.97 54.76 1xsi s GLU 643 Cb -0.16 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 1xsi s GLU 643 CO 0.36 0.56 -0.11 -0.51 0.02 0.00 0.00 175.26 175.58 1xsi s LEU 644 N -1.41 2.25 0.05 1.80 1.43 0.14 -4.97 118.68 117.97 1xsi s LEU 644 Ca 0.15 -0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 1xsi s LEU 644 Cb -0.11 -0.34 -0.06 0.00 0.03 0.00 0.00 46.19 45.72 1xsi s LEU 644 CO 0.06 -0.13 0.67 -1.81 0.23 0.00 0.00 176.35 175.37 1xsi s ASP 645 N -1.58 7.12 0.40 2.29 1.01 -1.26 -0.38 116.67 124.27 1xsi s ASP 645 Ca -0.06 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.53 1xsi s ASP 645 Cb -0.10 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1xsi s ASP 645 CO 0.01 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.12 1xsi n GLY 646 N 2.20 -0.28 2.48 0.21 0.00 0.11 -4.55 105.19 105.35 1xsi n GLY 646 Ca -0.06 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 1xsi n GLY 646 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsi n SER 647 N -1.58 -5.40 -3.65 1.61 7.64 0.19 -4.77 113.62 107.66 1xsi n SER 647 Ca 0.00 0.27 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 1xsi n SER 647 Cb 0.00 -4.52 -0.03 0.00 -1.01 0.00 0.00 64.21 58.65 1xsi n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsi s ARG 648 N -4.17 1.39 0.47 1.43 1.70 -0.97 -4.99 118.95 113.81 1xsi s ARG 648 Ca 0.00 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.39 1xsi s ARG 648 Cb 0.00 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.87 1xsi s ARG 648 CO 0.00 -0.60 0.87 -1.58 -1.08 0.00 0.00 175.30 172.91 1xsi s TRP 649 N -3.84 3.49 0.10 5.89 0.52 -1.26 -0.61 118.94 123.23 1xsi s TRP 649 Ca 0.06 1.19 -0.06 0.00 0.02 0.00 0.00 56.10 57.32 1xsi s TRP 649 Cb -0.02 -2.58 -0.02 0.00 -1.15 0.00 0.00 33.47 29.71 1xsi s TRP 649 CO -0.05 -0.28 0.13 -1.01 0.02 0.00 0.00 176.95 175.76 1xsi s HIS 650 N -2.58 0.41 -0.02 -1.98 3.76 -0.05 -4.95 115.29 109.88 1xsi s HIS 650 Ca 0.54 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 1xsi s HIS 650 Cb -0.10 -0.21 0.03 0.00 1.11 0.00 0.00 32.58 33.40 1xsi s HIS 650 CO 0.35 -0.53 0.02 0.21 -0.85 0.00 0.00 174.74 173.93 1xsi s LYS 651 N -3.93 0.08 0.17 1.40 2.20 -1.26 -1.32 119.74 117.08 1xsi s LYS 651 Ca 0.11 0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1xsi s LYS 651 Cb 0.06 -0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 1xsi s LYS 651 CO -0.06 -0.15 0.23 -0.65 -0.36 0.00 0.00 175.35 174.36 1xsi s GLN 652 N 0.99 1.14 -0.05 4.03 -0.21 -0.58 -5.01 119.66 119.96 1xsi s GLN 652 Ca -0.09 -1.30 0.02 0.00 0.02 0.00 0.00 55.36 54.02 1xsi s GLN 652 Cb -0.12 0.34 0.01 0.00 1.00 0.00 0.00 33.01 34.24 1xsi s GLN 652 CO -0.02 -0.40 -0.10 -1.14 -2.12 0.00 0.00 175.29 171.51 1xsi s GLN 653 N -4.01 1.33 0.00 2.91 0.74 -1.26 -1.66 119.66 117.71 1xsi s GLN 653 Ca 0.22 -0.32 0.06 0.00 0.05 0.00 0.00 55.36 55.37 1xsi s GLN 653 Cb 0.04 -1.16 -0.02 0.00 1.10 0.00 0.00 33.01 32.98 1xsi s GLN 653 CO 0.03 0.03 -0.19 -1.01 -0.55 0.00 0.00 175.29 173.60 1xsi s HIS 654 N 0.60 1.66 1.30 1.67 3.76 0.71 -4.95 115.29 120.05 1xsi s HIS 654 Ca -0.11 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 1xsi s HIS 654 Cb -0.14 -1.04 0.33 0.00 1.11 0.00 0.00 32.58 32.83 1xsi s HIS 654 CO 0.02 0.01 1.07 0.20 -0.85 0.00 0.00 174.74 175.19 1xsi s GLY 655 N -0.68 1.55 0.34 -2.22 0.00 -1.26 -4.20 107.32 100.85 1xsi s GLY 655 Ca 0.07 -1.06 0.26 0.00 0.00 0.00 0.00 44.72 43.99 1xsi s GLY 655 CO 0.00 -0.08 1.76 0.74 0.00 0.00 0.00 173.10 175.52 1xsi h PHE 656 N -2.93 0.00 -0.36 1.90 0.04 -1.97 -2.70 116.94 110.92 1xsi h PHE 656 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1xsi h PHE 656 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1xsi h PHE 656 CO -3.02 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 175.97 1xsi n LEU 657 N -2.62 2.13 -4.01 1.54 4.32 -1.26 -4.88 117.00 112.21 1xsi n LEU 657 Ca 0.03 -1.07 -0.09 0.00 -0.02 0.00 0.00 56.01 54.87 1xsi n LEU 657 Cb 0.38 -0.28 -0.09 0.00 -1.62 0.00 0.00 43.42 41.81 1xsi n LEU 657 CO 0.28 0.49 -0.21 -0.55 -1.22 0.00 0.00 177.39 176.18 1xsi s SER 658 N -0.94 0.26 0.13 -1.43 0.15 -1.02 -5.05 113.70 105.81 1xsi s SER 658 Ca 0.25 -0.92 -0.26 0.00 0.70 0.00 0.00 55.95 55.72 1xsi s SER 658 Cb 0.14 0.30 0.07 0.00 -1.71 0.00 0.00 66.02 64.82 1xsi s SER 658 CO 0.16 -0.72 0.95 -1.48 1.20 0.00 0.00 173.24 173.35 1xsi s LEU 659 N -2.94 -0.21 -0.24 3.45 2.34 -1.26 -4.67 118.68 115.15 1xsi s LEU 659 Ca 0.12 -0.33 -0.29 0.00 0.06 0.00 0.00 54.13 53.69 1xsi s LEU 659 Cb 0.06 2.13 -0.03 0.00 -0.56 0.00 0.00 46.19 47.79 1xsi s LEU 659 CO -0.06 -0.85 1.85 -2.84 -1.06 0.00 0.00 176.35 173.39 1xsi s PRO 660 N -3.25 3.50 -0.35 1.48 0.02 -1.26 -4.93 135.00 130.21 1xsi s PRO 660 Ca 0.11 1.73 -0.00 0.00 0.02 0.00 0.00 61.00 62.86 1xsi s PRO 660 Cb -0.01 -4.18 0.12 0.00 0.02 0.00 0.00 34.50 30.45 1xsi s PRO 660 CO 0.00 -1.66 0.18 0.08 -0.33 0.00 0.00 177.00 175.26 1xsi s VAL 661 N 6.48 0.61 -0.05 3.83 1.01 -1.26 -2.02 120.40 129.00 1xsi s VAL 661 Ca 0.83 -1.69 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1xsi s VAL 661 Cb -0.27 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1xsi s VAL 661 CO 0.33 -0.84 -0.09 -0.31 0.00 0.00 0.00 175.10 174.19 1xsi s TYR 662 N 1.20 2.87 -0.16 5.22 2.02 -0.81 -0.27 117.35 127.42 1xsi s TYR 662 Ca 0.14 -0.03 -0.04 0.00 -0.37 0.00 0.00 57.07 56.77 1xsi s TYR 662 Cb -0.21 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1xsi s TYR 662 CO -0.12 0.31 -0.03 0.08 -1.57 0.00 0.00 175.55 174.21 1xsi s VAL 663 N -0.83 3.95 0.93 0.71 1.01 0.74 -0.53 120.40 126.37 1xsi s VAL 663 Ca 0.13 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1xsi s VAL 663 Cb -0.11 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1xsi s VAL 663 CO 0.02 0.49 0.44 0.54 0.00 0.00 0.00 175.10 176.60 1xsi n ARG 664 N 3.53 -0.23 -1.92 2.72 1.74 -0.74 -1.41 116.66 120.35 1xsi n ARG 664 Ca -0.17 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.60 1xsi n ARG 664 Cb 0.52 -1.87 0.09 0.00 -1.02 0.00 0.00 32.46 30.18 1xsi n ARG 664 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1xsi s ASP 665 N -1.98 4.57 -1.36 0.55 3.84 -1.22 -4.14 116.67 116.92 1xsi s ASP 665 Ca 0.58 0.77 -0.05 0.00 -0.00 0.00 0.00 52.55 53.85 1xsi s ASP 665 Cb -0.23 -1.29 0.03 0.00 -1.38 0.00 0.00 42.92 40.05 1xsi s ASP 665 CO 0.66 -1.86 0.86 0.59 -0.00 0.00 0.00 175.17 175.43 1xsi n ASN 666 N -3.27 -2.81 -4.13 2.11 3.02 -0.29 -4.98 115.26 104.92 1xsi n ASN 666 Ca 0.08 -0.76 -0.26 0.00 -0.03 0.00 0.00 54.58 53.61 1xsi n ASN 666 Cb 0.61 -4.24 -0.16 0.00 -0.61 0.00 0.00 39.78 35.38 1xsi n ASN 666 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsi s THR 667 N -3.50 1.41 -0.25 3.41 2.01 -0.89 -4.53 115.64 113.30 1xsi s THR 667 Ca 0.25 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1xsi s THR 667 Cb -0.12 -1.21 0.06 0.00 0.01 0.00 0.00 72.50 71.24 1xsi s THR 667 CO 0.80 0.41 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.80 1xsi s LEU 668 N 0.02 3.19 -0.09 4.42 2.96 -1.26 0.69 118.68 128.61 1xsi s LEU 668 Ca -0.03 -1.28 -0.01 0.00 -0.22 0.00 0.00 54.13 52.59 1xsi s LEU 668 Cb -0.11 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1xsi s LEU 668 CO 0.02 -0.17 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.60 1xsi s LEU 669 N 1.16 3.24 -0.23 -0.68 2.96 0.27 -4.15 118.68 121.25 1xsi s LEU 669 Ca -0.07 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 1xsi s LEU 669 Cb -0.19 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1xsi s LEU 669 CO -0.06 0.32 0.12 0.00 -1.32 0.00 0.00 176.35 175.41 1xsi s ALA 670 N -0.53 3.46 0.05 5.97 0.00 -1.26 -0.07 121.76 129.38 1xsi s ALA 670 Ca 0.08 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1xsi s ALA 670 Cb -0.12 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1xsi s ALA 670 CO 0.02 -0.17 -0.12 -0.51 0.00 0.00 0.00 175.76 174.98 1xsi s LEU 671 N 1.03 2.93 0.53 0.00 1.02 0.09 -3.41 118.68 120.87 1xsi s LEU 671 Ca 0.06 -0.33 0.05 0.00 0.02 0.00 0.00 54.13 53.93 1xsi s LEU 671 Cb -0.14 -1.72 0.05 0.00 0.02 0.00 0.00 46.19 44.40 1xsi s LEU 671 CO 0.04 0.23 0.73 -0.83 0.02 0.00 0.00 176.35 176.54 1xsi s GLY 672 N -1.72 1.85 -0.11 -3.19 0.00 0.59 -1.16 107.32 103.58 1xsi s GLY 672 Ca 0.18 -1.64 0.18 0.00 0.00 0.00 0.00 44.72 43.44 1xsi s GLY 672 CO 0.09 -1.33 1.62 1.16 0.00 0.00 0.00 173.10 174.64 1xsi n ASN 673 N -2.21 4.68 -3.97 1.64 6.94 -1.26 -4.78 115.26 116.30 1xsi n ASN 673 Ca 0.10 -2.44 -0.27 0.00 -0.02 0.00 0.00 54.58 51.95 1xsi n ASN 673 Cb 0.60 -0.57 -0.17 0.00 -2.36 0.00 0.00 39.78 37.28 1xsi n ASN 673 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xsi s ASN 674 N -0.95 2.27 -0.16 0.53 3.84 -1.26 -5.00 114.94 114.20 1xsi s ASN 674 Ca 0.50 -0.36 0.17 0.00 0.21 0.00 0.00 52.86 53.38 1xsi s ASN 674 Cb 0.32 -0.95 0.48 0.00 -0.55 0.00 0.00 41.25 40.55 1xsi s ASN 674 CO 0.24 -0.06 1.37 -0.90 -2.79 0.00 0.00 177.10 174.97 1xsi n ASP 675 N 4.61 3.61 -0.00 -4.21 5.75 -1.26 -3.27 116.55 121.77 1xsi n ASP 675 Ca -0.16 -2.98 0.03 0.00 -0.01 0.00 0.00 54.79 51.67 1xsi n ASP 675 Cb 0.50 -0.51 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 1xsi n ASP 675 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xsi n GLN 676 N -0.61 0.32 -3.65 0.11 1.13 -1.26 -4.10 117.38 109.31 1xsi n GLN 676 Ca 0.20 -0.06 -0.14 0.00 -1.94 0.00 0.00 57.00 55.06 1xsi n GLN 676 Cb 0.83 -1.15 -0.07 0.00 0.11 0.00 0.00 30.24 29.96 1xsi n GLN 676 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1xsi s ARG 677 N -2.44 0.88 0.17 -1.09 1.70 -1.26 -4.76 118.95 112.14 1xsi s ARG 677 Ca -0.02 -0.15 0.10 0.00 -0.47 0.00 0.00 55.73 55.18 1xsi s ARG 677 Cb 0.04 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 1xsi s ARG 677 CO 0.28 -0.28 1.34 -1.00 -1.08 0.00 0.00 175.30 174.56 1xsi h PRO 678 N 3.27 0.00 -4.04 3.89 0.13 -1.87 -3.44 132.00 129.93 1xsi h PRO 678 Ca -0.30 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.07 1xsi h PRO 678 Cb 1.18 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 1xsi h PRO 678 CO 0.41 0.84 -0.17 0.16 -0.23 0.00 0.00 178.00 179.01 1xsi s ASP 679 N -6.64 6.25 0.37 1.44 -4.77 -1.26 -4.89 116.67 107.17 1xsi s ASP 679 Ca 0.02 -2.04 -0.06 0.00 -3.30 0.00 0.00 52.55 47.16 1xsi s ASP 679 Cb 0.09 -2.18 0.02 0.00 -1.09 0.00 0.00 42.92 39.77 1xsi s ASP 679 CO 0.80 -0.76 0.59 -0.72 0.70 0.00 0.00 175.17 175.77 1xsi s TYR 680 N 1.20 0.78 -0.66 2.11 1.13 -1.26 -5.03 117.35 115.62 1xsi s TYR 680 Ca 0.07 -1.16 -0.25 0.00 -1.41 0.00 0.00 57.07 54.32 1xsi s TYR 680 Cb -0.25 0.23 0.05 0.00 -1.10 0.00 0.00 41.96 40.89 1xsi s TYR 680 CO -0.00 -1.31 1.10 0.54 -2.51 0.00 0.00 175.55 173.37 1xsi s VAL 681 N -2.69 4.08 0.28 -3.49 0.11 -1.26 -4.86 120.40 112.56 1xsi s VAL 681 Ca 0.26 0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.55 1xsi s VAL 681 Cb -0.02 -4.75 0.03 0.00 -1.53 0.00 0.00 36.38 30.11 1xsi s VAL 681 CO 0.18 -1.52 1.67 -0.50 -3.33 0.00 0.00 175.10 171.60 1xsi h TRP 682 N 9.68 0.38 -0.11 1.54 6.55 -1.97 -2.87 115.95 129.15 1xsi h TRP 682 Ca -0.28 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.46 1xsi h TRP 682 Cb 1.06 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.28 1xsi h TRP 682 CO 1.02 0.69 0.00 -2.39 -1.05 0.00 0.00 178.44 176.71 1xsi n HIS 683 N -4.02 0.14 -3.99 0.49 1.44 -1.26 -4.26 115.22 103.75 1xsi n HIS 683 Ca -0.02 -0.07 -0.34 0.00 -2.01 0.00 0.00 57.72 55.29 1xsi n HIS 683 Cb 0.49 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.45 1xsi n HIS 683 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xsi s GLU 684 N -1.86 2.77 0.00 -1.40 2.02 -1.09 -2.25 118.70 116.90 1xsi s GLU 684 Ca 0.28 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1xsi s GLU 684 Cb 0.14 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1xsi s GLU 684 CO 0.22 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1xsi n GLY 685 N 4.63 0.76 3.62 -1.39 0.00 -0.24 -4.71 105.19 107.87 1xsi n GLY 685 Ca -0.17 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 1xsi n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsi n THR 686 N -2.40 0.37 -3.83 2.61 -1.04 -1.26 -4.31 114.28 104.42 1xsi n THR 686 Ca 0.00 -0.09 -0.36 0.00 -2.04 0.00 0.00 64.05 61.56 1xsi n THR 686 Cb 0.00 -1.11 -0.13 0.00 -1.82 0.00 0.00 70.33 67.27 1xsi n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsi s ALA 687 N 0.34 2.97 0.41 2.41 0.00 -0.31 -1.50 121.76 126.08 1xsi s ALA 687 Ca 0.78 -1.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 1xsi s ALA 687 Cb -0.81 -2.16 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 1xsi s ALA 687 CO 0.46 -1.44 0.90 -0.06 0.00 0.00 0.00 175.76 175.62 1xsi s PHE 688 N 1.26 3.35 -0.04 0.00 0.08 -0.12 -0.73 117.98 121.78 1xsi s PHE 688 Ca -0.01 1.48 -0.01 0.00 0.12 0.00 0.00 56.93 58.52 1xsi s PHE 688 Cb -0.21 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1xsi s PHE 688 CO -0.01 -0.09 0.02 -1.01 -0.10 0.00 0.00 175.22 174.03 1xsi s HIS 689 N -2.20 0.27 -0.22 0.36 3.76 0.90 -0.90 115.29 117.26 1xsi s HIS 689 Ca 0.59 0.06 -0.10 0.00 -0.15 0.00 0.00 55.06 55.46 1xsi s HIS 689 Cb -0.09 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 1xsi s HIS 689 CO 0.17 -0.18 0.14 -1.17 -0.85 0.00 0.00 174.74 172.86 1xsi s LEU 690 N 1.51 4.14 -0.22 0.89 2.96 -0.45 -0.57 118.68 126.95 1xsi s LEU 690 Ca -0.03 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1xsi s LEU 690 Cb -0.13 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1xsi s LEU 690 CO -0.03 0.12 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.69 1xsi s PHE 691 N 0.72 2.94 -0.69 5.38 0.08 0.22 -1.95 117.98 124.68 1xsi s PHE 691 Ca 0.08 -1.15 -0.19 0.00 0.12 0.00 0.00 56.93 55.78 1xsi s PHE 691 Cb -0.12 -2.07 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1xsi s PHE 691 CO 0.01 -0.62 0.37 0.09 -0.10 0.00 0.00 175.22 174.97 1xsi n ASN 692 N 4.75 -2.19 -4.64 1.36 5.03 -1.26 -1.13 115.26 117.18 1xsi n ASN 692 Ca -0.18 -0.74 -0.43 0.00 0.87 0.00 0.00 54.58 54.10 1xsi n ASN 692 Cb 0.50 -0.88 -0.03 0.00 -1.02 0.00 0.00 39.78 38.35 1xsi n ASN 692 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsi s LEU 693 N -6.38 3.99 0.35 3.41 0.20 -1.26 -2.01 118.68 116.98 1xsi s LEU 693 Ca 0.27 1.80 -0.07 0.00 0.69 0.00 0.00 54.13 56.81 1xsi s LEU 693 Cb -0.15 -3.53 -0.06 0.00 -0.43 0.00 0.00 46.19 42.02 1xsi s LEU 693 CO 0.55 -1.19 0.66 -1.10 -0.29 0.00 0.00 176.35 174.97 1xsi s GLN 694 N 4.56 3.69 -0.04 1.98 -0.21 -1.26 -4.98 119.66 123.40 1xsi s GLN 694 Ca 0.73 0.21 -0.36 0.00 0.02 0.00 0.00 55.36 55.96 1xsi s GLN 694 Cb -0.27 -2.52 -0.14 0.00 1.00 0.00 0.00 33.01 31.08 1xsi s GLN 694 CO 0.29 0.09 1.72 -3.47 -2.12 0.00 0.00 175.29 171.80 1xsi n ASP 695 N -1.17 2.95 0.00 5.90 2.03 -1.26 -2.31 116.55 122.69 1xsi n ASP 695 Ca 0.00 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.35 1xsi n ASP 695 Cb 0.54 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1xsi n ASP 695 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsi n GLY 696 N 3.91 0.75 3.26 0.27 0.00 0.60 -5.03 105.19 108.95 1xsi n GLY 696 Ca 0.21 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1xsi n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsi s HIS 697 N -2.00 1.46 -0.07 1.61 3.76 -0.98 -4.98 115.29 114.09 1xsi s HIS 697 Ca 0.00 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 1xsi s HIS 697 Cb 0.00 -0.75 0.01 0.00 1.11 0.00 0.00 32.58 32.95 1xsi s HIS 697 CO 0.00 0.18 -0.17 -2.00 -0.85 0.00 0.00 174.74 171.90 1xsi s GLU 698 N -2.89 2.15 -0.27 1.40 2.12 -1.26 -1.19 118.70 118.75 1xsi s GLU 698 Ca 0.12 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.80 1xsi s GLU 698 Cb -0.04 -1.71 -0.01 0.00 0.26 0.00 0.00 34.13 32.63 1xsi s GLU 698 CO 0.03 0.10 0.06 0.00 -0.54 0.00 0.00 175.26 174.92 1xsi s ALA 699 N 0.49 3.06 -0.12 6.30 0.00 0.45 -4.95 121.76 127.00 1xsi s ALA 699 Ca -0.15 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1xsi s ALA 699 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1xsi s ALA 699 CO 0.05 -0.71 -0.03 0.08 0.00 0.00 0.00 175.76 175.15 1xsi s VAL 700 N 1.54 4.01 -0.14 0.00 1.01 -1.26 -1.64 120.40 123.91 1xsi s VAL 700 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1xsi s VAL 700 Cb -0.16 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1xsi s VAL 700 CO 0.02 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.47 1xsi s GLU 702 N 0.99 3.20 -0.17 0.00 2.02 -1.26 -1.08 118.70 122.40 1xsi s GLU 702 Ca -0.04 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 53.97 1xsi s GLU 702 Cb -0.15 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1xsi s GLU 702 CO -0.05 -0.37 0.64 0.08 0.02 0.00 0.00 175.26 175.57 1xsi s VAL 703 N 1.51 5.03 0.52 2.63 1.01 0.81 -4.85 120.40 127.06 1xsi s VAL 703 Ca 0.03 1.22 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 1xsi s VAL 703 Cb -0.16 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1xsi s VAL 703 CO 0.02 0.14 1.00 -2.16 0.00 0.00 0.00 175.10 174.10 1xsi s PRO 704 N 1.70 3.82 0.58 2.72 0.04 -1.26 -1.09 135.00 141.50 1xsi s PRO 704 Ca 0.30 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1xsi s PRO 704 Cb -0.16 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1xsi s PRO 704 CO 0.11 -0.39 0.81 0.00 0.04 0.00 0.00 177.00 177.58 1xsi s ALA 705 N -2.50 3.98 0.57 8.56 0.00 0.18 -4.60 121.76 127.94 1xsi s ALA 705 Ca 0.61 -1.52 0.30 0.00 0.00 0.00 0.00 51.96 51.34 1xsi s ALA 705 Cb -0.12 -1.97 1.45 0.00 0.00 0.00 0.00 23.12 22.49 1xsi s ALA 705 CO 0.30 -0.89 1.87 0.00 0.00 0.00 0.00 175.76 177.04 1xsi h ALA 706 N -0.01 2.47 -0.66 0.00 0.00 -1.95 0.18 119.26 119.29 1xsi h ALA 706 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xsi h ALA 706 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xsi h ALA 706 CO 0.48 -0.91 0.00 -0.40 0.00 0.00 0.00 179.25 178.42 1xsi n ASP 707 N -3.90 3.82 0.00 0.00 5.68 -1.26 -4.91 116.55 115.98 1xsi n ASP 707 Ca 0.13 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1xsi n ASP 707 Cb 0.82 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1xsi n ASP 707 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsi n GLY 708 N 1.46 1.88 3.82 6.12 0.00 0.63 -5.05 105.19 114.04 1xsi n GLY 708 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1xsi n GLY 708 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsi s SER 709 N -3.41 5.55 -0.10 1.61 1.04 -1.26 -4.63 113.70 112.50 1xsi s SER 709 Ca 0.00 1.65 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 1xsi s SER 709 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 1xsi s SER 709 CO 0.00 -1.33 1.48 -0.69 0.98 0.00 0.00 173.24 173.69 1xsi s VAL 710 N -2.92 3.88 -0.17 5.02 1.01 -1.26 0.47 120.40 126.43 1xsi s VAL 710 Ca 0.59 1.07 0.20 0.00 0.00 0.00 0.00 61.98 63.84 1xsi s VAL 710 Cb -0.14 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1xsi s VAL 710 CO 0.50 -0.09 0.91 0.00 0.00 0.00 0.00 175.10 176.43 1xsi n ILE 711 N 5.42 0.89 -3.64 2.22 3.06 -0.25 -4.82 119.36 122.23 1xsi n ILE 711 Ca 0.16 -0.62 -0.05 0.00 -2.50 0.00 0.00 62.75 59.73 1xsi n ILE 711 Cb 0.44 -0.53 -0.06 0.00 0.54 0.00 0.00 39.64 40.02 1xsi n ILE 711 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1xsi s PHE 712 N -3.15 -1.14 -0.11 9.51 5.36 -1.09 -1.84 117.98 125.53 1xsi s PHE 712 Ca -0.02 2.18 0.02 0.00 -0.96 0.00 0.00 56.93 58.15 1xsi s PHE 712 Cb 0.09 0.68 -0.01 0.00 -0.34 0.00 0.00 43.02 43.44 1xsi s PHE 712 CO 0.80 -0.56 -0.19 0.99 -1.46 0.00 0.00 175.22 174.80 1xsi s THR 713 N 1.98 2.54 -0.12 0.12 2.01 0.13 -0.13 115.64 122.17 1xsi s THR 713 Ca -0.09 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1xsi s THR 713 Cb -0.07 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.43 1xsi s THR 713 CO -0.20 0.54 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.91 1xsi s LEU 714 N 0.32 1.70 0.06 4.42 0.20 -0.24 -0.65 118.68 124.49 1xsi s LEU 714 Ca -0.14 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.31 1xsi s LEU 714 Cb -0.17 -1.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 1xsi s LEU 714 CO 0.07 -0.01 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.40 1xsi s LYS 715 N 1.14 1.96 -0.20 1.98 1.02 -0.11 -1.30 119.74 124.24 1xsi s LYS 715 Ca -0.03 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 1xsi s LYS 715 Cb -0.14 -2.15 0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1xsi s LYS 715 CO -0.04 0.52 0.05 0.00 -0.92 0.00 0.00 175.35 174.96 1xsi s ALA 716 N -0.97 0.92 -0.15 5.17 0.00 -0.65 -1.64 121.76 124.43 1xsi s ALA 716 Ca 0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1xsi s ALA 716 Cb -0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1xsi s ALA 716 CO 0.06 -1.21 0.01 0.00 0.00 0.00 0.00 175.76 174.63 1xsi s ALA 717 N 1.90 3.23 -0.26 0.00 0.00 -0.57 -0.41 121.76 125.66 1xsi s ALA 717 Ca 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 1xsi s ALA 717 Cb -0.17 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.28 1xsi s ALA 717 CO -0.09 0.31 0.03 0.50 0.00 0.00 0.00 175.76 176.51 1xsi s ARG 718 N 0.01 3.26 0.00 0.00 3.52 -0.33 -0.71 118.95 124.69 1xsi s ARG 718 Ca 0.03 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 1xsi s ARG 718 Cb -0.13 -3.23 -0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1xsi s ARG 718 CO 0.02 -0.32 0.29 -2.37 -0.81 0.00 0.00 175.30 172.10 1xsi n THR 719 N 4.84 0.00 0.02 4.11 5.66 -0.36 -0.29 114.28 128.26 1xsi n THR 719 Ca -0.16 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 1xsi n THR 719 Cb 0.49 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.29 1xsi n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsi n GLY 720 N 0.65 -0.61 0.00 1.09 0.00 -1.26 -4.83 105.19 100.24 1xsi n GLY 720 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xsi n GLY 720 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsi n ASN 721 N -2.44 0.00 -4.72 1.61 5.15 -1.26 -4.90 115.26 108.71 1xsi n ASN 721 Ca 0.00 -0.98 -0.35 0.00 -0.60 0.00 0.00 54.58 52.65 1xsi n ASN 721 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 1xsi n ASN 721 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xsi s THR 722 N 0.00 5.04 -0.30 -0.44 2.01 -1.26 -1.41 115.64 119.27 1xsi s THR 722 Ca 0.00 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1xsi s THR 722 Cb 0.00 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.30 1xsi s THR 722 CO 0.00 0.51 0.05 -0.63 -0.69 0.00 0.00 174.62 173.85 1xsi s ILE 723 N -0.08 3.50 -0.15 1.82 1.01 0.74 -1.23 121.20 126.81 1xsi s ILE 723 Ca 0.08 -1.05 -0.25 0.00 0.00 0.00 0.00 60.65 59.42 1xsi s ILE 723 Cb -0.12 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1xsi s ILE 723 CO 0.01 -0.03 0.83 -0.89 0.00 0.00 0.00 174.94 174.86 1xsi s THR 724 N 1.38 4.89 -0.31 2.92 2.01 0.11 -1.52 115.64 125.12 1xsi s THR 724 Ca -0.01 1.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.59 1xsi s THR 724 Cb -0.18 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.23 1xsi s THR 724 CO 0.01 0.05 0.04 -0.69 -0.69 0.00 0.00 174.62 173.34 1xsi s VAL 725 N 2.00 3.35 -0.17 3.82 1.01 -1.11 -1.51 120.40 127.78 1xsi s VAL 725 Ca 0.39 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1xsi s VAL 725 Cb -0.17 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1xsi s VAL 725 CO 0.13 -0.12 -0.17 0.28 0.00 0.00 0.00 175.10 175.23 1xsi s THR 726 N 1.33 2.40 0.35 3.92 -1.32 -0.65 -4.07 115.64 117.59 1xsi s THR 726 Ca -0.03 -0.84 -0.04 0.00 -1.21 0.00 0.00 61.69 59.56 1xsi s THR 726 Cb -0.19 -2.02 -0.05 0.00 -1.51 0.00 0.00 72.50 68.73 1xsi s THR 726 CO 0.01 0.52 0.62 -0.83 -2.21 0.00 0.00 174.62 172.72 1xsi s GLY 727 N 1.12 1.68 -0.17 6.08 0.00 -1.26 -0.93 107.32 113.83 1xsi s GLY 727 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.07 1xsi s GLY 727 CO -0.06 -0.47 0.37 0.00 0.00 0.00 0.00 173.10 172.93 1xsi s ALA 728 N -2.29 -0.96 0.00 3.20 0.00 0.17 -4.99 121.76 116.89 1xsi s ALA 728 Ca 0.44 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1xsi s ALA 728 Cb -0.10 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1xsi s ALA 728 CO 0.34 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1xsi n GLY 729 N 5.13 -0.26 3.51 0.00 0.00 -1.26 -0.69 105.19 111.61 1xsi n GLY 729 Ca -0.11 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 1xsi n GLY 729 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsi s GLU 730 N 0.00 3.74 -0.18 1.61 2.12 -0.77 -4.97 118.70 120.25 1xsi s GLU 730 Ca 0.00 -0.46 -0.28 0.00 0.36 0.00 0.00 54.97 54.59 1xsi s GLU 730 Cb 0.00 -3.18 0.11 0.00 0.26 0.00 0.00 34.13 31.31 1xsi s GLU 730 CO 0.00 0.04 0.91 0.00 -0.54 0.00 0.00 175.26 175.67 1xsi s ALA 731 N 0.97 -1.89 0.00 6.30 0.00 -1.26 -4.45 121.76 121.43 1xsi s ALA 731 Ca 0.03 1.66 0.02 0.00 0.00 0.00 0.00 51.96 53.66 1xsi s ALA 731 Cb -0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1xsi s ALA 731 CO 0.02 -0.30 -0.05 0.15 0.00 0.00 0.00 175.76 175.58 1xsi s LYS 732 N -0.60 0.40 -1.50 0.00 3.01 -0.95 -4.88 119.74 115.23 1xsi s LYS 732 Ca -0.02 -0.23 -0.04 0.00 -1.01 0.00 0.00 55.97 54.67 1xsi s LYS 732 Cb -0.02 -0.37 0.00 0.00 -1.01 0.00 0.00 37.83 36.44 1xsi s LYS 732 CO 0.01 0.10 0.53 -1.71 0.51 0.00 0.00 175.35 174.79 1xsi n ASN 733 N 2.82 -5.90 -4.96 2.83 2.85 -1.26 -1.08 115.26 110.56 1xsi n ASN 733 Ca -0.14 -0.25 -0.23 0.00 -0.11 0.00 0.00 54.58 53.85 1xsi n ASN 733 Cb 0.58 -4.74 0.00 0.00 1.24 0.00 0.00 39.78 36.86 1xsi n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1xsi s TRP 734 N -3.14 3.29 0.09 1.20 1.48 -1.26 -3.90 118.94 116.69 1xsi s TRP 734 Ca 0.27 0.19 0.03 0.00 -1.06 0.00 0.00 56.10 55.52 1xsi s TRP 734 Cb -0.12 -2.13 -0.04 0.00 -1.16 0.00 0.00 33.47 30.02 1xsi s TRP 734 CO 0.33 -0.16 -0.08 0.99 -4.06 0.00 0.00 176.95 173.97 1xsi s THR 735 N -2.42 0.78 -0.16 0.66 2.01 -0.56 -4.49 115.64 111.46 1xsi s THR 735 Ca 0.45 -1.68 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 1xsi s THR 735 Cb -0.10 -1.37 0.05 0.00 0.01 0.00 0.00 72.50 71.09 1xsi s THR 735 CO 0.36 -0.66 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.41 1xsi s LEU 736 N -2.56 1.29 -0.18 4.42 1.98 -0.29 -0.95 118.68 122.40 1xsi s LEU 736 Ca 0.06 -0.65 -0.13 0.00 -2.89 0.00 0.00 54.13 50.51 1xsi s LEU 736 Cb -0.01 -0.70 -0.05 0.00 0.66 0.00 0.00 46.19 46.09 1xsi s LEU 736 CO -0.02 -0.24 0.28 0.00 -1.89 0.00 0.00 176.35 174.48 1xsi s LEU 738 N 0.61 5.33 0.12 0.00 1.43 0.94 -1.34 118.68 125.76 1xsi s LEU 738 Ca 0.15 -1.30 -0.31 0.00 -1.03 0.00 0.00 54.13 51.64 1xsi s LEU 738 Cb -0.13 -2.33 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 1xsi s LEU 738 CO 0.04 -1.02 1.67 -0.60 0.23 0.00 0.00 176.35 176.67 1xsi s ARG 739 N 2.56 4.18 -1.61 1.70 6.06 -0.82 -2.54 118.95 128.49 1xsi s ARG 739 Ca 0.12 2.41 0.00 0.00 -2.50 0.00 0.00 55.73 55.76 1xsi s ARG 739 Cb -0.23 -3.42 0.00 0.00 0.06 0.00 0.00 34.95 31.36 1xsi s ARG 739 CO 0.08 -0.72 0.00 0.09 -2.50 0.00 0.00 175.30 172.25 1xsi n ASN 740 N 4.99 -5.23 -3.99 -2.12 3.02 0.74 -4.71 115.26 107.96 1xsi n ASN 740 Ca 0.16 0.07 -0.31 0.00 -0.03 0.00 0.00 54.58 54.46 1xsi n ASN 740 Cb 0.39 -4.30 -0.15 0.00 -0.61 0.00 0.00 39.78 35.11 1xsi n ASN 740 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xsi s VAL 741 N -2.86 2.11 0.20 2.41 1.01 -1.05 -5.00 120.40 117.23 1xsi s VAL 741 Ca 0.00 -2.20 0.04 0.00 0.00 0.00 0.00 61.98 59.83 1xsi s VAL 741 Cb 0.00 -2.55 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 1xsi s VAL 741 CO 0.00 -0.57 1.47 -0.37 0.00 0.00 0.00 175.10 175.63 1xsi h VAL 742 N 6.61 1.45 -3.36 2.92 -1.51 -1.93 -1.30 116.25 119.13 1xsi h VAL 742 Ca -0.06 -2.32 -0.18 0.00 -1.23 0.00 0.00 66.70 62.91 1xsi h VAL 742 Cb 1.02 2.25 -0.26 0.00 -2.13 0.00 0.00 31.29 32.17 1xsi h VAL 742 CO 0.51 0.68 -0.52 -0.75 -1.23 0.00 0.00 177.57 176.26 1xsi s LYS 743 N -3.47 0.23 0.16 5.19 2.20 -1.26 -4.66 119.74 118.13 1xsi s LYS 743 Ca -0.03 0.15 0.10 0.00 -0.36 0.00 0.00 55.97 55.83 1xsi s LYS 743 Cb 0.11 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 1xsi s LYS 743 CO 0.81 -0.03 -0.23 0.54 -0.36 0.00 0.00 175.35 176.07 1xsi s VAL 744 N -0.09 2.14 0.13 4.02 0.11 -1.26 -4.55 120.40 120.90 1xsi s VAL 744 Ca -0.02 -1.87 -0.09 0.00 -2.93 0.00 0.00 61.98 57.07 1xsi s VAL 744 Cb -0.02 -1.96 -0.11 0.00 -1.53 0.00 0.00 36.38 32.76 1xsi s VAL 744 CO 0.00 -0.09 1.39 -1.13 -3.33 0.00 0.00 175.10 171.94 1xsi h ASN 745 N 3.51 0.85 -4.66 3.54 -1.24 -1.37 -3.45 115.58 112.77 1xsi h ASN 745 Ca -0.47 -0.51 0.18 0.00 0.71 0.00 0.00 56.30 56.21 1xsi h ASN 745 Cb 1.19 -0.25 -0.15 0.00 0.73 0.00 0.00 38.32 39.84 1xsi h ASN 745 CO 0.45 1.29 0.62 -0.83 -1.29 0.00 0.00 177.43 177.67 1xsi s GLY 746 N -4.09 -0.38 -0.22 1.57 0.00 -0.90 -4.99 107.32 98.30 1xsi s GLY 746 Ca -0.09 1.09 -0.05 0.00 0.00 0.00 0.00 44.72 45.67 1xsi s GLY 746 CO 0.88 0.35 0.40 -2.27 0.00 0.00 0.00 173.10 172.46 1xsi s LEU 747 N -2.46 -0.64 -0.00 0.66 0.20 -1.26 -0.78 118.68 114.40 1xsi s LEU 747 Ca 0.08 0.65 -0.01 0.00 0.69 0.00 0.00 54.13 55.53 1xsi s LEU 747 Cb -0.01 1.23 -0.04 0.00 -0.43 0.00 0.00 46.19 46.95 1xsi s LEU 747 CO -0.06 -0.26 0.11 -1.10 -0.29 0.00 0.00 176.35 174.75 1xsi s GLN 748 N 2.58 3.17 -1.56 1.98 -1.52 -0.28 -4.57 119.66 119.46 1xsi s GLN 748 Ca 0.05 -0.44 -0.13 0.00 -1.95 0.00 0.00 55.36 52.88 1xsi s GLN 748 Cb -0.14 -2.93 0.09 0.00 -0.22 0.00 0.00 33.01 29.82 1xsi s GLN 748 CO -0.14 0.65 0.89 -0.25 -0.25 0.00 0.00 175.29 176.20 1xsi n ASP 749 N 1.10 -4.00 -3.53 5.90 9.92 -1.26 -2.67 116.55 122.00 1xsi n ASP 749 Ca -0.12 -0.85 -0.13 0.00 -0.53 0.00 0.00 54.79 53.16 1xsi n ASP 749 Cb 0.53 -3.58 -0.05 0.00 -0.64 0.00 0.00 41.12 37.38 1xsi n ASP 749 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xsi s GLY 750 N -3.42 -0.44 0.51 0.44 0.00 -1.26 -1.14 107.32 102.00 1xsi s GLY 750 Ca 0.61 1.48 0.08 0.00 0.00 0.00 0.00 44.72 46.89 1xsi s GLY 750 CO 0.86 0.80 0.59 -1.35 0.00 0.00 0.00 173.10 174.00 1xsi s SER 751 N -1.53 5.12 -0.16 1.64 1.04 -0.70 -4.94 113.70 114.16 1xsi s SER 751 Ca -0.03 -0.82 -0.15 0.00 0.48 0.00 0.00 55.95 55.44 1xsi s SER 751 Cb -0.00 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.12 1xsi s SER 751 CO 0.01 -1.05 0.43 0.00 0.98 0.00 0.00 173.24 173.61 1xsi s GLN 752 N -4.43 0.50 0.19 4.02 -2.07 -1.26 -2.85 119.66 113.75 1xsi s GLN 752 Ca 0.52 0.61 0.04 0.00 -1.82 0.00 0.00 55.36 54.72 1xsi s GLN 752 Cb -0.05 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 1xsi s GLN 752 CO 0.32 -0.07 -0.06 0.00 -1.32 0.00 0.00 175.29 174.17 1xsi s ALA 753 N 0.32 1.65 0.01 2.60 0.00 -0.27 -5.02 121.76 121.05 1xsi s ALA 753 Ca -0.01 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.18 1xsi s ALA 753 Cb -0.03 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 1xsi s ALA 753 CO -0.00 -0.16 0.40 -1.21 0.00 0.00 0.00 175.76 174.78 1xsi s GLU 754 N -3.80 3.89 0.21 0.00 2.02 -1.26 -1.67 118.70 118.08 1xsi s GLU 754 Ca 0.23 0.37 -0.00 0.00 0.02 0.00 0.00 54.97 55.59 1xsi s GLU 754 Cb 0.04 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1xsi s GLU 754 CO 0.05 0.68 0.10 -1.54 0.02 0.00 0.00 175.26 174.57 1xsi s SER 755 N -1.15 0.55 0.43 -0.19 1.04 -1.18 -4.87 113.70 108.33 1xsi s SER 755 Ca 0.24 -1.35 0.19 0.00 0.48 0.00 0.00 55.95 55.51 1xsi s SER 755 Cb -0.16 0.29 0.97 0.00 0.10 0.00 0.00 66.02 67.22 1xsi s SER 755 CO 0.14 -0.77 1.90 -0.08 0.98 0.00 0.00 173.24 175.41 1xsi h GLU 756 N 2.59 0.00 0.00 4.02 4.81 -2.02 -2.63 114.58 121.36 1xsi h GLU 756 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1xsi h GLU 756 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xsi h GLU 756 CO 0.57 0.27 -0.61 1.04 -0.73 0.00 0.00 179.01 179.55 1xsi n GLN 757 N -3.88 0.05 0.00 1.92 6.02 -1.26 -4.96 117.38 115.27 1xsi n GLN 757 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1xsi n GLN 757 Cb 0.35 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1xsi n GLN 757 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsi n GLY 758 N 1.47 2.10 3.70 1.08 0.00 -0.99 -0.18 105.19 112.37 1xsi n GLY 758 Ca 0.05 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1xsi n GLY 758 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsi s LEU 759 N 0.00 4.35 -0.22 0.99 2.96 -0.49 -3.07 118.68 123.19 1xsi s LEU 759 Ca 0.00 2.26 -0.11 0.00 -0.22 0.00 0.00 54.13 56.06 1xsi s LEU 759 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 1xsi s LEU 759 CO 0.00 -0.69 0.17 -0.69 -1.32 0.00 0.00 176.35 173.82 1xsi s VAL 760 N 1.70 5.36 -0.14 1.68 1.01 -0.67 -0.04 120.40 129.29 1xsi s VAL 760 Ca 0.65 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1xsi s VAL 760 Cb -0.35 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1xsi s VAL 760 CO 0.29 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 174.86 1xsi s VAL 761 N 0.83 2.15 -0.19 2.92 1.01 0.09 -1.11 120.40 126.10 1xsi s VAL 761 Ca 0.09 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1xsi s VAL 761 Cb -0.13 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1xsi s VAL 761 CO 0.03 0.55 0.19 -0.75 0.00 0.00 0.00 175.10 175.12 1xsi s LYS 762 N 0.80 4.21 0.59 2.72 2.47 -1.13 -1.14 119.74 128.26 1xsi s LYS 762 Ca -0.07 -0.10 -0.13 0.00 -1.56 0.00 0.00 55.97 54.10 1xsi s LYS 762 Cb -0.16 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 32.73 1xsi s LYS 762 CO -0.01 0.26 1.02 -1.25 0.16 0.00 0.00 175.35 175.52 1xsi s PRO 763 N 0.45 3.65 -0.26 4.03 0.04 -1.26 -1.73 135.00 139.93 1xsi s PRO 763 Ca 0.11 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.00 1xsi s PRO 763 Cb -0.12 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.48 1xsi s PRO 763 CO 0.01 -0.52 0.43 1.14 0.04 0.00 0.00 177.00 178.10 1xsi s GLN 764 N -4.69 0.40 0.00 4.56 -2.07 -0.29 -4.86 119.66 112.70 1xsi s GLN 764 Ca 0.57 0.65 0.00 0.00 -1.82 0.00 0.00 55.36 54.76 1xsi s GLN 764 Cb -0.11 -0.22 0.00 0.00 -1.09 0.00 0.00 33.01 31.59 1xsi s GLN 764 CO 0.45 -0.64 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 1xsi n GLY 765 N 5.38 2.87 0.82 2.60 0.00 -1.26 -4.43 105.19 111.17 1xsi n GLY 765 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1xsi n GLY 765 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsi n ASN 766 N 0.40 -3.72 0.00 1.61 4.05 -1.26 -4.98 115.26 111.36 1xsi n ASN 766 Ca 0.00 0.34 0.00 0.00 0.45 0.00 0.00 54.58 55.37 1xsi n ASN 766 Cb 0.00 -1.76 0.00 0.00 1.23 0.00 0.00 39.78 39.25 1xsi n ASN 766 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xsi n ALA 767 N 0.36 0.00 -3.06 5.20 0.00 -1.26 -5.00 120.51 116.75 1xsi n ALA 767 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1xsi n ALA 767 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1xsi n ALA 767 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xsi n LEU 768 N 0.00 -0.41 -4.69 0.00 7.94 -1.20 -2.74 117.00 115.90 1xsi n LEU 768 Ca 0.00 -0.57 -0.42 0.00 -1.11 0.00 0.00 56.01 53.91 1xsi n LEU 768 Cb 0.00 -0.91 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 1xsi n LEU 768 CO 0.00 0.05 1.50 -0.89 -1.11 0.00 0.00 177.39 176.94 1xsi s THR 769 N -2.16 2.60 -0.05 1.96 2.01 -1.09 -4.14 115.64 114.76 1xsi s THR 769 Ca 0.42 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1xsi s THR 769 Cb -0.24 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1xsi s THR 769 CO 0.51 -0.00 -0.14 0.27 -0.69 0.00 0.00 174.62 174.57 1xsi s ILE 770 N 3.03 3.09 -0.15 1.82 -5.25 -0.58 -1.13 121.20 122.04 1xsi s ILE 770 Ca 0.82 -0.71 0.02 0.00 -0.99 0.00 0.00 60.65 59.79 1xsi s ILE 770 Cb -0.46 -2.22 0.01 0.00 2.95 0.00 0.00 42.46 42.75 1xsi s ILE 770 CO 0.37 0.59 -0.21 0.28 -1.79 0.00 0.00 174.94 174.18 1xsi s THR 771 N -0.70 2.04 0.54 8.37 -1.32 0.04 -0.18 115.64 124.42 1xsi s THR 771 Ca 0.11 -0.95 -0.14 0.00 -1.21 0.00 0.00 61.69 59.50 1xsi s THR 771 Cb -0.11 -1.81 -0.06 0.00 -1.51 0.00 0.00 72.50 69.01 1xsi s THR 771 CO 0.01 0.54 0.97 -0.76 -2.21 0.00 0.00 174.62 173.17 1xsi s LEU 772 N 0.97 3.52 0.00 9.08 1.43 -0.50 -1.17 118.68 132.01 1xsi s LEU 772 Ca -0.03 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1xsi s LEU 772 Cb -0.15 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.66 1xsi s LEU 772 CO -0.05 -0.66 0.38 0.00 0.23 0.00 0.00 176.35 176.25