#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 4.31 -0.05 2.12 -0.14 -1.26 -4.89 119.74 119.83 1xsi s LYS 2 Ca 0.00 1.80 -0.08 0.00 -1.36 0.00 0.00 55.97 56.34 1xsi s LYS 2 Cb 0.00 -3.59 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 1xsi s LYS 2 CO 0.00 -0.53 -0.15 -0.89 -0.76 0.00 0.00 175.35 173.02 1xsi n ILE 3 N 4.73 0.98 -1.80 2.17 5.41 -1.26 -4.85 119.36 124.74 1xsi n ILE 3 Ca 0.12 0.26 -0.31 0.00 1.00 0.00 0.00 62.75 63.82 1xsi n ILE 3 Cb 0.45 -1.82 0.03 0.00 -0.71 0.00 0.00 39.64 37.58 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 -5.49 5.77 -0.70 4.38 1.04 -1.26 -0.99 113.70 116.46 1xsi s SER 4 Ca -0.12 1.59 -0.00 0.00 0.48 0.00 0.00 55.95 57.90 1xsi s SER 4 Cb 0.02 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.82 1xsi s SER 4 CO 0.18 -1.18 0.52 -0.62 0.98 0.00 0.00 173.24 173.12 1xsi s ASP 5 N -3.67 5.24 0.38 7.02 2.15 -0.63 -4.36 116.67 122.80 1xsi s ASP 5 Ca 0.58 -3.29 0.00 0.00 0.43 0.00 0.00 52.55 50.27 1xsi s ASP 5 Cb -0.13 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1xsi s ASP 5 CO 0.50 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.86 1xsi n GLY 6 N 2.85 -1.28 0.12 2.66 0.00 -1.26 -2.79 105.19 105.49 1xsi n GLY 6 Ca 0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.97 -3.37 115.58 110.61 1xsi h ASN 7 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.73 1xsi h ASN 7 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1xsi h ASN 7 CO 0.00 0.68 -2.25 0.79 -1.29 0.00 0.00 177.43 175.36 1xsi n TRP 8 N -3.36 0.00 -4.71 0.67 7.02 -1.26 -5.04 117.44 110.76 1xsi n TRP 8 Ca 0.01 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.18 1xsi n TRP 8 Cb 0.77 -0.86 -0.06 0.00 -2.42 0.00 0.00 31.31 28.74 1xsi n TRP 8 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1xsi n LEU 9 N -2.62 0.00 -4.20 -0.99 4.77 -1.12 -5.02 117.00 107.82 1xsi n LEU 9 Ca -0.26 -2.99 -0.19 0.00 -0.03 0.00 0.00 56.01 52.54 1xsi n LEU 9 Cb 1.02 0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 42.32 1xsi n LEU 9 CO 0.41 -0.42 -0.47 -0.63 -1.33 0.00 0.00 177.39 174.95 1xsi s ILE 10 N -2.72 1.24 0.25 -0.08 1.01 -1.26 -1.61 121.20 118.02 1xsi s ILE 10 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 60.65 58.96 1xsi s ILE 10 Cb 0.00 -1.20 -0.14 0.00 0.01 0.00 0.00 42.46 41.12 1xsi s ILE 10 CO 0.00 -0.22 1.18 0.00 0.00 0.00 0.00 174.94 175.90 1xsi n GLN 11 N 1.16 1.54 -1.69 2.79 1.13 -0.16 -4.53 117.38 117.62 1xsi n GLN 11 Ca -0.20 0.54 -0.44 0.00 -1.94 0.00 0.00 57.00 54.96 1xsi n GLN 11 Cb 0.54 -2.04 -0.02 0.00 0.11 0.00 0.00 30.24 28.83 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 1.33 2.20 -0.08 -1.09 -0.02 -1.26 -1.69 135.00 134.39 1xsi n PRO 12 Ca 0.11 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1xsi n PRO 12 Cb 0.30 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 2.09 1.78 3.77 -1.23 0.00 -1.26 -4.89 105.19 105.45 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 4.33 -0.13 0.99 1.43 -0.68 -0.51 118.68 124.11 1xsi s LEU 14 Ca 0.00 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1xsi s LEU 14 Cb 0.00 -2.50 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1xsi s LEU 14 CO 0.00 0.16 -0.18 0.20 0.23 0.00 0.00 176.35 176.76 1xsi s ASN 15 N -0.03 3.52 0.12 2.29 0.01 -0.59 -4.89 114.94 115.38 1xsi s ASN 15 Ca 0.21 -0.47 0.10 0.00 -0.71 0.00 0.00 52.86 51.99 1xsi s ASN 15 Cb -0.15 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 1xsi s ASN 15 CO 0.08 0.13 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.79 1xsi s LEU 16 N 0.54 2.32 -0.01 0.60 1.43 -1.26 -0.89 118.68 121.41 1xsi s LEU 16 Ca -0.11 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.23 1xsi s LEU 16 Cb -0.16 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 1xsi s LEU 16 CO 0.04 0.15 0.05 0.27 0.23 0.00 0.00 176.35 177.09 1xsi s ILE 17 N -1.09 0.04 0.05 -0.59 -4.36 -0.77 -4.99 121.20 109.49 1xsi s ILE 17 Ca 0.12 -0.35 0.04 0.00 -0.26 0.00 0.00 60.65 60.20 1xsi s ILE 17 Cb -0.10 -0.19 -0.02 0.00 1.25 0.00 0.00 42.46 43.40 1xsi s ILE 17 CO 0.06 -0.19 -0.11 -1.00 0.24 0.00 0.00 174.94 173.94 1xsi s HIS 18 N -0.59 0.92 -0.11 1.37 3.76 -1.26 -1.01 115.29 118.37 1xsi s HIS 18 Ca -0.07 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.13 1xsi s HIS 18 Cb -0.04 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 1xsi s HIS 18 CO 0.00 -0.01 1.56 -1.25 -0.85 0.00 0.00 174.74 174.19 1xsi s PRO 19 N -1.39 4.12 -0.00 8.40 0.04 -1.26 -3.70 135.00 141.21 1xsi s PRO 19 Ca -0.04 1.99 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1xsi s PRO 19 Cb -0.09 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 1xsi s PRO 19 CO 0.01 -0.89 0.01 1.28 0.04 0.00 0.00 177.00 177.45 1xsi n LEU 20 N 7.25 0.01 -3.72 -3.56 4.77 0.11 -4.57 117.00 117.30 1xsi n LEU 20 Ca 0.17 -0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1xsi n LEU 20 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1xsi n LEU 20 CO 0.61 0.00 0.07 -1.58 -1.33 0.00 0.00 177.39 175.16 1xsi s GLN 21 N -1.79 0.43 0.12 3.23 0.74 -0.83 -4.19 119.66 117.37 1xsi s GLN 21 Ca -0.00 0.66 -0.31 0.00 0.05 0.00 0.00 55.36 55.77 1xsi s GLN 21 Cb 0.00 0.12 -0.07 0.00 1.10 0.00 0.00 33.01 34.16 1xsi s GLN 21 CO 0.02 -0.10 1.25 0.08 -0.55 0.00 0.00 175.29 175.99 1xsi s VAL 22 N 0.75 3.68 -0.25 1.34 1.01 -1.26 -0.83 120.40 124.84 1xsi s VAL 22 Ca -0.04 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 1xsi s VAL 22 Cb -0.05 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 1xsi s VAL 22 CO -0.05 0.13 -0.20 0.33 0.00 0.00 0.00 175.10 175.31 1xsi n PHE 23 N 3.47 0.16 -3.62 5.22 7.35 0.13 -4.76 117.46 125.40 1xsi n PHE 23 Ca 0.08 0.04 -0.16 0.00 -0.76 0.00 0.00 57.45 56.66 1xsi n PHE 23 Cb 0.45 -1.02 -0.07 0.00 0.35 0.00 0.00 39.48 39.19 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 -2.51 0.87 -0.10 -4.13 2.12 -1.13 -5.01 118.70 108.80 1xsi s GLU 24 Ca -0.35 0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.26 1xsi s GLU 24 Cb 0.10 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.91 1xsi s GLU 24 CO 0.58 -0.23 -0.18 0.08 -0.54 0.00 0.00 175.26 174.96 1xsi s VAL 25 N -0.91 1.68 -0.09 3.70 1.01 -1.26 -0.92 120.40 123.60 1xsi s VAL 25 Ca -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1xsi s VAL 25 Cb -0.02 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1xsi s VAL 25 CO 0.06 0.48 -0.11 -0.70 0.00 0.00 0.00 175.10 174.83 1xsi s GLU 26 N 0.67 1.73 -0.11 2.72 2.12 0.96 -4.99 118.70 121.80 1xsi s GLU 26 Ca -0.13 -0.38 -0.23 0.00 0.36 0.00 0.00 54.97 54.59 1xsi s GLU 26 Cb -0.16 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 1xsi s GLU 26 CO 0.03 -0.10 0.69 -1.14 -0.54 0.00 0.00 175.26 174.20 1xsi s GLN 27 N 1.10 4.36 -0.54 4.30 0.74 -1.26 0.07 119.66 128.43 1xsi s GLN 27 Ca -0.06 0.81 0.04 0.00 0.05 0.00 0.00 55.36 56.20 1xsi s GLN 27 Cb -0.14 -3.49 0.14 0.00 1.10 0.00 0.00 33.01 30.61 1xsi s GLN 27 CO -0.02 -0.06 0.29 -0.65 -0.55 0.00 0.00 175.29 174.31 1xsi s GLN 28 N 1.24 1.96 3.38 1.67 -0.21 0.68 -4.97 119.66 123.40 1xsi s GLN 28 Ca 0.35 -2.65 0.00 0.00 0.02 0.00 0.00 55.36 53.08 1xsi s GLN 28 Cb -0.17 -3.20 0.00 0.00 1.00 0.00 0.00 33.01 30.64 1xsi s GLN 28 CO 0.15 -1.14 0.00 -3.47 -2.12 0.00 0.00 175.29 168.71 1xsi n ASP 29 N 2.99 0.00 -1.41 5.90 4.64 -1.26 -1.45 116.55 125.96 1xsi n ASP 29 Ca 0.08 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.57 1xsi n ASP 29 Cb 0.33 0.00 0.33 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 7.57 4.65 -4.17 1.67 0.23 -1.26 -4.95 115.26 119.00 1xsi n ASN 30 Ca 0.00 -2.69 -0.23 0.00 -0.53 0.00 0.00 54.58 51.13 1xsi n ASN 30 Cb 0.00 -0.57 -0.14 0.00 -2.08 0.00 0.00 39.78 36.99 1xsi n ASN 30 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1xsi s GLU 31 N -2.28 1.20 -0.18 -3.83 2.02 -0.53 -4.67 118.70 110.43 1xsi s GLU 31 Ca 0.47 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 1xsi s GLU 31 Cb 0.34 -1.22 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 1xsi s GLU 31 CO 0.17 0.32 -0.06 1.41 0.02 0.00 0.00 175.26 177.12 1xsi s MET 32 N -0.87 3.47 -0.16 1.61 -2.45 -0.38 -0.23 119.30 120.29 1xsi s MET 32 Ca 0.05 -0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 53.87 1xsi s MET 32 Cb -0.07 -2.91 -0.01 0.00 1.25 0.00 0.00 34.83 33.09 1xsi s MET 32 CO 0.01 0.01 -0.11 0.08 1.05 0.00 0.00 175.02 176.06 1xsi s VAL 33 N 0.92 3.06 -0.17 10.11 1.01 0.11 -0.09 120.40 135.35 1xsi s VAL 33 Ca -0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1xsi s VAL 33 Cb -0.15 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 1xsi s VAL 33 CO 0.01 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.79 1xsi s VAL 34 N 0.71 2.76 -0.18 2.92 1.01 -0.10 -0.03 120.40 127.48 1xsi s VAL 34 Ca -0.05 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1xsi s VAL 34 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1xsi s VAL 34 CO 0.02 0.50 0.37 -0.31 0.00 0.00 0.00 175.10 175.67 1xsi s TYR 35 N 1.04 3.41 -0.07 5.22 2.02 -0.10 -1.00 117.35 127.87 1xsi s TYR 35 Ca -0.01 0.62 0.01 0.00 -0.37 0.00 0.00 57.07 57.32 1xsi s TYR 35 Cb -0.15 -2.47 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1xsi s TYR 35 CO -0.03 0.08 -0.08 0.00 -1.57 0.00 0.00 175.55 173.94 1xsi s ALA 36 N 1.01 1.08 0.18 3.71 0.00 0.01 0.17 121.76 127.91 1xsi s ALA 36 Ca 0.18 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 1xsi s ALA 36 Cb -0.14 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 1xsi s ALA 36 CO 0.07 -0.07 0.55 0.00 0.00 0.00 0.00 175.76 176.31 1xsi s ALA 37 N 1.03 3.57 -2.02 0.00 0.00 -0.01 -0.90 121.76 123.43 1xsi s ALA 37 Ca -0.08 -0.19 0.29 0.00 0.00 0.00 0.00 51.96 51.97 1xsi s ALA 37 Cb -0.15 -2.49 1.69 0.00 0.00 0.00 0.00 23.12 22.18 1xsi s ALA 37 CO -0.00 0.48 2.09 -0.35 0.00 0.00 0.00 175.76 177.97 1xsi n PRO 38 N 0.43 1.03 -3.07 0.00 -0.05 -1.24 0.08 135.00 132.17 1xsi n PRO 38 Ca -0.03 -0.05 -0.08 0.00 -0.05 0.00 0.00 63.50 63.29 1xsi n PRO 38 Cb 0.52 -1.45 0.00 0.00 -0.05 0.00 0.00 33.50 32.52 1xsi n PRO 38 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 175.50 178.34 1xsi n ARG 39 N -0.90 0.66 -2.25 0.54 1.85 -1.26 -4.69 116.66 110.61 1xsi n ARG 39 Ca 0.22 -1.73 -0.43 0.00 -1.00 0.00 0.00 57.85 54.90 1xsi n ARG 39 Cb 0.11 1.92 -0.02 0.00 -1.05 0.00 0.00 32.46 33.42 1xsi n ARG 39 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1xsi s ASP 40 N -2.48 6.74 -0.17 2.89 2.15 -1.26 -4.64 116.67 119.90 1xsi s ASP 40 Ca 0.15 1.79 0.14 0.00 0.43 0.00 0.00 52.55 55.06 1xsi s ASP 40 Cb -0.02 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.49 1xsi s ASP 40 CO 0.11 -0.93 1.20 1.33 -0.17 0.00 0.00 175.17 176.72 1xsi n VAL 41 N 5.67 1.70 0.28 1.11 0.24 -1.26 -4.75 118.33 121.32 1xsi n VAL 41 Ca 0.16 -2.78 0.14 0.00 -2.04 0.00 0.00 64.34 59.81 1xsi n VAL 41 Cb 0.44 0.02 0.85 0.00 -1.47 0.00 0.00 33.84 33.69 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 1.10 0.00 -6.13 7.34 3.08 -1.95 -3.43 114.38 114.38 1xsi h ARG 42 Ca -0.03 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.34 1xsi h ARG 42 Cb 1.24 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.14 1xsi h ARG 42 CO 0.07 0.00 -0.66 -1.21 -1.07 0.00 0.00 179.97 177.10 1xsi s GLU 43 N -4.74 2.79 0.35 0.04 0.41 -1.26 -5.03 118.70 111.26 1xsi s GLU 43 Ca -0.05 -0.56 0.06 0.00 -0.41 0.00 0.00 54.97 54.01 1xsi s GLU 43 Cb 0.16 -2.66 0.72 0.00 -1.78 0.00 0.00 34.13 30.57 1xsi s GLU 43 CO 0.58 0.65 1.93 0.00 -0.49 0.00 0.00 175.26 177.92 1xsi h ARG 44 N 4.76 0.76 -0.61 1.61 3.08 -1.98 -0.56 114.38 121.45 1xsi h ARG 44 Ca -0.49 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 59.67 1xsi h ARG 44 Cb 1.18 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 1xsi h ARG 44 CO 0.55 0.50 0.43 0.00 -1.07 0.00 0.00 179.97 180.38 1xsi h THR 45 N 0.79 0.75 -0.02 2.04 1.03 -1.95 0.04 112.91 115.59 1xsi h THR 45 Ca 0.36 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.72 1xsi h THR 45 Cb 0.37 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1xsi h THR 45 CO -0.14 0.02 -0.15 0.79 -0.01 0.00 0.00 175.52 176.04 1xsi n TRP 46 N -4.41 0.00 -0.74 0.00 7.02 -0.23 -4.49 117.44 114.60 1xsi n TRP 46 Ca 0.11 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.52 1xsi n TRP 46 Cb 0.59 -0.03 -0.02 0.00 -2.42 0.00 0.00 31.31 29.43 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 0.18 1.44 -3.57 -0.99 6.02 0.00 -4.80 117.38 115.67 1xsi n GLN 47 Ca 0.15 -0.69 -0.07 0.00 -0.01 0.00 0.00 57.00 56.38 1xsi n GLN 47 Cb 0.43 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 1xsi n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsi s LEU 48 N -0.59 -0.29 -1.25 1.08 0.05 -1.26 -4.99 118.68 111.42 1xsi s LEU 48 Ca 0.22 -0.08 -0.05 0.00 0.05 0.00 0.00 54.13 54.27 1xsi s LEU 48 Cb 0.13 1.94 0.01 0.00 -2.05 0.00 0.00 46.19 46.22 1xsi s LEU 48 CO -0.02 -0.61 1.08 0.47 -0.55 0.00 0.00 176.35 176.73 1xsi n ASP 49 N -0.28 -4.60 -3.73 1.48 8.00 -1.26 -4.99 116.55 111.18 1xsi n ASP 49 Ca -0.07 -0.55 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 1xsi n ASP 49 Cb 0.61 -4.93 -0.09 0.00 -0.02 0.00 0.00 41.12 36.69 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 -3.32 0.01 0.97 -3.53 -1.32 -1.26 -5.16 115.64 102.03 1xsi s THR 50 Ca 0.35 -0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.60 1xsi s THR 50 Cb -0.15 -0.61 0.18 0.00 -1.51 0.00 0.00 72.50 70.41 1xsi s THR 50 CO 0.71 -0.06 1.10 -2.84 -2.21 0.00 0.00 174.62 171.32 1xsi s PRO 51 N -0.23 0.58 -0.17 7.08 0.02 -1.26 -5.06 135.00 135.95 1xsi s PRO 51 Ca -0.04 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.16 1xsi s PRO 51 Cb -0.03 -1.70 0.07 0.00 0.02 0.00 0.00 34.50 32.86 1xsi s PRO 51 CO 0.02 -2.84 0.40 -1.17 -0.33 0.00 0.00 177.00 173.08 1xsi s LEU 52 N -6.70 -0.23 0.24 -5.54 0.20 -1.26 -4.29 118.68 101.10 1xsi s LEU 52 Ca 0.66 0.88 -0.21 0.00 0.69 0.00 0.00 54.13 56.16 1xsi s LEU 52 Cb -0.23 1.28 -0.09 0.00 -0.43 0.00 0.00 46.19 46.73 1xsi s LEU 52 CO 0.60 -0.21 0.77 -0.36 -0.29 0.00 0.00 176.35 176.86 1xsi s PHE 53 N 1.78 3.65 -0.27 5.38 0.40 -0.08 -4.82 117.98 124.02 1xsi s PHE 53 Ca -0.07 1.46 -0.04 0.00 -0.60 0.00 0.00 56.93 57.68 1xsi s PHE 53 Cb -0.10 -2.67 0.02 0.00 0.51 0.00 0.00 43.02 40.78 1xsi s PHE 53 CO -0.12 0.30 0.01 0.99 0.70 0.00 0.00 175.22 177.10 1xsi s THR 54 N -1.56 3.36 -0.14 0.64 2.01 -0.93 -0.81 115.64 118.21 1xsi s THR 54 Ca 0.45 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 1xsi s THR 54 Cb -0.17 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1xsi s THR 54 CO 0.21 0.12 0.08 -0.76 -0.69 0.00 0.00 174.62 173.58 1xsi s LEU 55 N 1.39 3.97 -0.11 4.42 1.02 -0.17 -0.13 118.68 129.08 1xsi s LEU 55 Ca 0.01 0.23 0.01 0.00 0.02 0.00 0.00 54.13 54.39 1xsi s LEU 55 Cb -0.17 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.09 1xsi s LEU 55 CO -0.01 0.30 -0.11 -0.60 0.02 0.00 0.00 176.35 175.95 1xsi s ARG 56 N -0.36 1.81 -0.19 1.70 3.52 0.24 -0.93 118.95 124.74 1xsi s ARG 56 Ca 0.10 -0.39 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1xsi s ARG 56 Cb -0.12 -1.68 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 1xsi s ARG 56 CO 0.02 -0.16 0.05 -0.06 -0.81 0.00 0.00 175.30 174.33 1xsi s PHE 57 N 1.32 3.18 0.24 5.12 0.08 0.87 -1.47 117.98 127.32 1xsi s PHE 57 Ca -0.01 -0.07 -0.08 0.00 0.12 0.00 0.00 56.93 56.89 1xsi s PHE 57 Cb -0.14 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1xsi s PHE 57 CO -0.05 0.03 0.35 -0.59 -0.10 0.00 0.00 175.22 174.86 1xsi s PHE 58 N 0.61 0.72 -0.16 0.36 -0.71 -0.82 -1.25 117.98 116.73 1xsi s PHE 58 Ca 0.02 -1.01 -0.03 0.00 -1.04 0.00 0.00 56.93 54.87 1xsi s PHE 58 Cb -0.13 -0.11 0.05 0.00 -1.21 0.00 0.00 43.02 41.62 1xsi s PHE 58 CO 0.02 -0.88 0.03 0.45 -1.34 0.00 0.00 175.22 173.50 1xsi s SER 59 N -3.09 2.49 0.40 1.98 0.15 -1.26 0.11 113.70 114.47 1xsi s SER 59 Ca 0.29 -0.60 0.21 0.00 0.70 0.00 0.00 55.95 56.55 1xsi s SER 59 Cb 0.02 -0.50 0.27 0.00 -1.71 0.00 0.00 66.02 64.09 1xsi s SER 59 CO 0.11 -0.28 1.56 1.55 1.20 0.00 0.00 173.24 177.38 1xsi h PRO 60 N 8.29 0.00 -3.05 5.44 0.13 -1.80 -3.43 132.00 137.58 1xsi h PRO 60 Ca -0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.88 1xsi h PRO 60 Cb 1.13 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.09 1xsi h PRO 60 CO 0.31 0.13 -0.12 -0.65 -0.23 0.00 0.00 178.00 177.44 1xsi s GLN 61 N -3.15 0.91 0.19 0.86 -1.52 -1.26 -0.72 119.66 114.97 1xsi s GLN 61 Ca 0.06 -0.37 -0.32 0.00 -1.95 0.00 0.00 55.36 52.78 1xsi s GLN 61 Cb 0.06 0.40 -0.12 0.00 -0.22 0.00 0.00 33.01 33.13 1xsi s GLN 61 CO 0.69 -0.31 1.71 -1.91 -0.25 0.00 0.00 175.29 175.22 1xsi n GLU 62 N 0.52 2.66 -1.06 2.91 0.00 -1.26 -1.51 120.64 122.90 1xsi n GLU 62 Ca -0.19 0.96 -0.02 0.00 0.00 0.00 0.00 57.16 57.91 1xsi n GLU 62 Cb 0.60 -2.80 -0.01 0.00 0.00 0.00 0.00 31.44 29.23 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 3.89 0.55 2.96 8.31 0.00 -1.22 -4.94 105.19 114.75 1xsi n GLY 63 Ca 0.16 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.08 1.24 -0.20 -0.61 1.01 -0.57 -1.22 121.20 118.77 1xsi s ILE 64 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1xsi s ILE 64 Cb 0.00 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1xsi s ILE 64 CO 0.00 0.40 0.02 -0.69 0.00 0.00 0.00 174.94 174.67 1xsi s VAL 65 N 1.49 4.12 0.06 2.92 1.01 -0.00 -4.19 120.40 125.81 1xsi s VAL 65 Ca 0.02 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1xsi s VAL 65 Cb -0.13 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1xsi s VAL 65 CO -0.07 0.43 0.56 -0.83 0.00 0.00 0.00 175.10 175.18 1xsi s GLY 66 N 0.92 2.65 -0.16 4.51 0.00 0.30 -1.13 107.32 114.41 1xsi s GLY 66 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 1xsi s GLY 66 CO 0.02 0.47 -0.03 0.14 0.00 0.00 0.00 173.10 173.70 1xsi s VAL 67 N -1.01 0.97 -0.21 1.40 1.01 -0.39 -1.94 120.40 120.23 1xsi s VAL 67 Ca 0.29 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1xsi s VAL 67 Cb -0.19 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1xsi s VAL 67 CO 0.18 0.08 -0.16 -0.60 0.00 0.00 0.00 175.10 174.61 1xsi s ARG 68 N 1.69 2.82 -0.26 2.72 3.52 -0.54 -1.23 118.95 127.66 1xsi s ARG 68 Ca 0.01 -0.96 -0.06 0.00 -0.13 0.00 0.00 55.73 54.59 1xsi s ARG 68 Cb -0.15 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1xsi s ARG 68 CO -0.07 -0.31 0.04 0.42 -0.81 0.00 0.00 175.30 174.56 1xsi s ILE 69 N 1.26 3.84 0.05 4.11 1.01 0.25 -0.59 121.20 131.13 1xsi s ILE 69 Ca 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.21 1xsi s ILE 69 Cb -0.15 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1xsi s ILE 69 CO -0.10 0.25 -0.16 -1.61 0.00 0.00 0.00 174.94 173.32 1xsi s GLU 70 N 1.52 2.09 0.00 2.79 2.02 0.82 -0.77 118.70 127.17 1xsi s GLU 70 Ca 0.04 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1xsi s GLU 70 Cb -0.16 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1xsi s GLU 70 CO 0.01 0.53 0.00 1.58 0.02 0.00 0.00 175.26 177.40 1xsi n HIS 71 N 1.34 0.00 -3.10 1.61 -0.00 0.14 -2.19 115.22 113.03 1xsi n HIS 71 Ca -0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.17 1xsi n HIS 71 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.46 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 0.59 3.73 -1.54 1.57 0.08 -1.24 -4.83 117.98 116.34 1xsi s PHE 72 Ca 0.00 1.36 0.25 0.00 0.12 0.00 0.00 56.93 58.66 1xsi s PHE 72 Cb 0.00 -2.70 0.56 0.00 -0.57 0.00 0.00 43.02 40.31 1xsi s PHE 72 CO 0.00 0.35 1.44 1.04 -0.10 0.00 0.00 175.22 177.95 1xsi n GLN 73 N 2.59 0.60 -0.03 0.44 6.02 -1.26 -4.28 117.38 121.46 1xsi n GLN 73 Ca -0.05 -0.38 0.11 0.00 -0.01 0.00 0.00 57.00 56.67 1xsi n GLN 73 Cb 0.50 -1.49 0.52 0.00 1.02 0.00 0.00 30.24 30.80 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 1.40 -0.30 3.70 1.08 0.00 -1.26 -4.89 105.19 104.92 1xsi n GLY 74 Ca 0.10 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.91 1.86 0.17 4.61 0.00 -1.26 -4.96 121.76 120.27 1xsi s ALA 75 Ca 0.34 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1xsi s ALA 75 Cb 0.17 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.90 1xsi s ALA 75 CO 0.27 -2.26 1.81 -0.07 0.00 0.00 0.00 175.76 175.51 1xsi h LEU 76 N -0.86 0.48 -2.15 0.00 3.38 -1.98 -3.47 115.31 110.71 1xsi h LEU 76 Ca -0.46 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.01 1xsi h LEU 76 Cb 1.30 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1xsi h LEU 76 CO 0.46 0.34 -0.90 0.59 0.09 0.00 0.00 178.44 179.02 1xsi n ASN 77 N -4.80 -1.03 -4.76 -0.43 5.03 -1.26 -4.95 115.26 103.05 1xsi n ASN 77 Ca 0.03 -1.03 -0.35 0.00 0.87 0.00 0.00 54.58 54.11 1xsi n ASN 77 Cb 0.08 -3.00 0.03 0.00 -1.02 0.00 0.00 39.78 35.86 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 -4.23 5.29 0.83 6.41 0.01 -1.26 -5.08 114.94 116.90 1xsi s ASN 78 Ca 0.08 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.47 1xsi s ASN 78 Cb -0.03 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1xsi s ASN 78 CO 0.89 -1.52 0.00 0.61 -1.51 0.00 0.00 177.10 175.57 1xsi n GLY 79 N 0.18 -2.03 3.76 0.66 0.00 -1.26 -4.63 105.19 101.87 1xsi n GLY 79 Ca 0.12 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.48 1.39 0.29 1.61 0.04 -1.26 -1.28 135.00 133.31 1xsi s PRO 80 Ca 0.00 0.57 0.10 0.00 0.04 0.00 0.00 61.00 61.71 1xsi s PRO 80 Cb 0.00 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1xsi s PRO 80 CO 0.00 -2.08 -0.13 -1.01 0.04 0.00 0.00 177.00 173.81 1xsi s HIS 81 N -3.11 2.19 0.61 0.56 3.76 -1.26 -4.88 115.29 113.16 1xsi s HIS 81 Ca 0.63 -0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 54.87 1xsi s HIS 81 Cb -0.16 -1.12 -0.03 0.00 1.11 0.00 0.00 32.58 32.38 1xsi s HIS 81 CO 0.55 0.54 1.19 0.71 -0.85 0.00 0.00 174.74 176.89 1xsi s TYR 82 N -2.70 2.39 -1.40 1.40 2.02 -1.26 -4.88 117.35 112.92 1xsi s TYR 82 Ca 0.30 1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 58.42 1xsi s TYR 82 Cb -0.00 -3.44 0.08 0.00 -0.40 0.00 0.00 41.96 38.20 1xsi s TYR 82 CO 0.14 -2.16 2.22 -0.35 -1.57 0.00 0.00 175.55 173.83 1xsi n PRO 83 N -1.77 3.44 -2.83 -1.71 -0.04 -1.26 -4.96 135.00 125.87 1xsi n PRO 83 Ca 0.13 -2.97 -0.39 0.00 -0.04 0.00 0.00 63.50 60.23 1xsi n PRO 83 Cb 0.50 -3.02 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 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 0.59 4.58 -0.51 1.53 2.01 -1.26 -4.71 118.68 120.91 1xsi s LEU 84 Ca 0.48 1.83 -0.23 0.00 0.01 0.00 0.00 54.13 56.23 1xsi s LEU 84 Cb 0.14 -3.58 0.04 0.00 0.01 0.00 0.00 46.19 42.79 1xsi s LEU 84 CO -0.05 0.14 0.83 0.20 1.01 0.00 0.00 176.35 178.48 1xsi s ASN 85 N -1.25 6.35 -0.30 2.29 0.01 0.11 -5.02 114.94 117.13 1xsi s ASN 85 Ca 0.41 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1xsi s ASN 85 Cb -0.24 -2.39 0.05 0.00 0.41 0.00 0.00 41.25 39.08 1xsi s ASN 85 CO 0.29 -1.05 0.01 -0.63 -1.51 0.00 0.00 177.10 174.21 1xsi s ILE 86 N 3.48 3.11 0.41 0.60 1.01 -1.26 -4.78 121.20 123.76 1xsi s ILE 86 Ca 0.28 -1.33 -0.17 0.00 0.00 0.00 0.00 60.65 59.42 1xsi s ILE 86 Cb -0.13 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.46 1xsi s ILE 86 CO 0.19 -0.11 0.87 -0.76 0.00 0.00 0.00 174.94 175.13 1xsi s LEU 87 N 1.28 3.92 -0.00 2.97 1.43 0.10 -5.00 118.68 123.38 1xsi s LEU 87 Ca -0.05 1.48 0.20 0.00 -1.03 0.00 0.00 54.13 54.74 1xsi s LEU 87 Cb -0.20 -4.34 -0.22 0.00 0.03 0.00 0.00 46.19 41.47 1xsi s LEU 87 CO -0.01 -0.35 0.57 0.00 0.23 0.00 0.00 176.35 176.79 1xsi n GLN 88 N -0.77 0.65 -0.62 1.70 1.13 -1.26 -4.55 117.38 113.66 1xsi n GLN 88 Ca 0.05 -0.02 0.02 0.00 -1.94 0.00 0.00 57.00 55.12 1xsi n GLN 88 Cb 0.54 -1.63 0.24 0.00 0.11 0.00 0.00 30.24 29.49 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 -2.56 3.39 -4.71 1.08 5.75 -1.26 -5.01 116.55 113.24 1xsi n ASP 89 Ca -0.10 -3.32 -0.43 0.00 -0.01 0.00 0.00 54.79 50.93 1xsi n ASP 89 Cb 0.73 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1xsi n ASP 89 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1xsi n VAL 90 N -0.76 0.20 -2.03 2.12 0.31 -1.26 -4.89 118.33 112.03 1xsi n VAL 90 Ca 0.28 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 64.13 1xsi n VAL 90 Cb 0.99 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 1xsi n VAL 90 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1xsi s LYS 91 N 0.80 3.76 0.25 5.55 2.20 -1.26 -4.98 119.74 126.06 1xsi s LYS 91 Ca 0.74 1.78 0.09 0.00 -0.36 0.00 0.00 55.97 58.21 1xsi s LYS 91 Cb -0.54 -4.08 -0.05 0.00 -1.51 0.00 0.00 37.83 31.65 1xsi s LYS 91 CO 0.36 -1.34 -0.14 0.14 -0.36 0.00 0.00 175.35 174.02 1xsi s VAL 92 N 5.43 1.93 -0.04 4.02 -7.23 -1.26 -4.30 120.40 118.96 1xsi s VAL 92 Ca 0.76 -2.24 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1xsi s VAL 92 Cb -0.27 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1xsi s VAL 92 CO 0.31 -0.46 -0.18 0.28 -0.31 0.00 0.00 175.10 174.74 1xsi s THR 93 N -2.85 1.48 -0.17 5.32 -1.32 0.04 -4.98 115.64 113.15 1xsi s THR 93 Ca 0.27 -0.76 0.01 0.00 -1.21 0.00 0.00 61.69 60.00 1xsi s THR 93 Cb -0.01 -1.26 0.03 0.00 -1.51 0.00 0.00 72.50 69.76 1xsi s THR 93 CO 0.11 0.42 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.17 1xsi s ILE 94 N -0.10 1.72 -0.18 5.08 1.01 -1.26 -0.24 121.20 127.22 1xsi s ILE 94 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1xsi s ILE 94 Cb -0.10 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1xsi s ILE 94 CO 0.01 0.37 -0.17 -1.83 0.00 0.00 0.00 174.94 173.32 1xsi s GLU 95 N 1.40 3.07 -0.39 2.79 -1.05 0.42 -5.00 118.70 119.94 1xsi s GLU 95 Ca 0.03 -0.79 -0.03 0.00 -0.15 0.00 0.00 54.97 54.02 1xsi s GLU 95 Cb -0.14 -2.64 0.09 0.00 -0.44 0.00 0.00 34.13 31.00 1xsi s GLU 95 CO -0.10 -0.19 0.16 1.21 0.95 0.00 0.00 175.26 177.29 1xsi s ASN 96 N 1.28 5.21 0.51 0.83 2.47 -1.26 -0.56 114.94 123.41 1xsi s ASN 96 Ca 0.04 -1.83 0.01 0.00 0.42 0.00 0.00 52.86 51.50 1xsi s ASN 96 Cb -0.13 -1.81 -0.01 0.00 -1.45 0.00 0.00 41.25 37.84 1xsi s ASN 96 CO -0.10 -0.48 0.01 0.42 -3.72 0.00 0.00 177.10 173.23 1xsi s THR 97 N 1.18 1.02 0.25 -5.21 -4.23 -0.47 -5.03 115.64 103.16 1xsi s THR 97 Ca 0.05 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1xsi s THR 97 Cb -0.22 -2.10 0.26 0.00 1.34 0.00 0.00 72.50 71.78 1xsi s THR 97 CO -0.03 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 175.89 1xsi h GLU 98 N 1.35 1.29 0.02 3.99 4.57 -2.02 -3.21 114.58 120.57 1xsi h GLU 98 Ca -0.43 -0.08 -0.31 0.00 -1.18 0.00 0.00 59.36 57.37 1xsi h GLU 98 Cb 1.32 -0.29 -0.05 0.00 -0.16 0.00 0.00 28.75 29.57 1xsi h GLU 98 CO 0.72 0.85 -1.77 -2.13 -1.18 0.00 0.00 179.01 175.50 1xsi n ARG 99 N -4.40 0.65 -3.82 1.92 0.63 -1.26 -4.74 116.66 105.64 1xsi n ARG 99 Ca 0.12 0.29 -0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1xsi n ARG 99 Cb 0.04 -1.77 -0.10 0.00 0.45 0.00 0.00 32.46 31.08 1xsi n ARG 99 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xsi s TYR 100 N -2.59 -0.08 -0.18 -0.14 4.12 -1.21 -1.04 117.35 116.23 1xsi s TYR 100 Ca -0.08 0.12 -0.03 0.00 0.02 0.00 0.00 57.07 57.11 1xsi s TYR 100 Cb 0.08 0.02 -0.01 0.00 -1.52 0.00 0.00 41.96 40.53 1xsi s TYR 100 CO 0.82 -0.30 -0.07 0.00 0.02 0.00 0.00 175.55 176.01 1xsi s ALA 101 N -1.15 2.79 -0.06 3.71 0.00 -0.19 -1.36 121.76 125.49 1xsi s ALA 101 Ca -0.12 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1xsi s ALA 101 Cb -0.06 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1xsi s ALA 101 CO 0.02 -0.08 -0.06 -2.00 0.00 0.00 0.00 175.76 173.64 1xsi s GLU 102 N 0.89 1.12 -0.15 0.00 2.12 0.27 -0.44 118.70 122.50 1xsi s GLU 102 Ca -0.02 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.15 1xsi s GLU 102 Cb -0.15 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.13 1xsi s GLU 102 CO 0.01 -0.12 -0.18 0.12 -0.54 0.00 0.00 175.26 174.56 1xsi s PHE 103 N 1.13 2.74 -0.05 5.30 5.36 0.31 -0.44 117.98 132.34 1xsi s PHE 103 Ca -0.07 -1.17 0.04 0.00 -0.96 0.00 0.00 56.93 54.77 1xsi s PHE 103 Cb -0.14 -1.87 -0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1xsi s PHE 103 CO -0.01 -0.53 -0.18 0.21 -1.46 0.00 0.00 175.22 173.25 1xsi s LYS 104 N 0.84 1.93 -0.11 10.12 2.20 0.66 -0.35 119.74 135.03 1xsi s LYS 104 Ca -0.05 -0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1xsi s LYS 104 Cb -0.15 -1.64 0.03 0.00 -1.51 0.00 0.00 37.83 34.56 1xsi s LYS 104 CO -0.01 0.22 -0.06 0.45 -0.36 0.00 0.00 175.35 175.59 1xsi s SER 105 N 0.13 2.14 1.94 1.43 0.15 0.70 -0.78 113.70 119.41 1xsi s SER 105 Ca -0.07 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1xsi s SER 105 Cb -0.13 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1xsi s SER 105 CO 0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1xsi n GLY 106 N 4.97 4.09 0.01 9.45 0.00 -1.26 -1.21 105.19 121.24 1xsi n GLY 106 Ca -0.12 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 7.47 0.31 -4.75 1.61 3.02 -1.26 -4.92 115.26 116.74 1xsi n ASN 107 Ca 0.00 0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 1xsi n ASN 107 Cb 0.00 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 38.97 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 -3.13 4.10 0.07 3.41 2.96 -0.35 -0.88 118.68 124.86 1xsi s LEU 108 Ca 0.12 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1xsi s LEU 108 Cb 0.18 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1xsi s LEU 108 CO 0.62 0.27 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.89 1xsi s SER 109 N -0.20 1.20 -0.15 3.68 1.04 0.17 -0.21 113.70 119.22 1xsi s SER 109 Ca 0.09 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 55.77 1xsi s SER 109 Cb -0.12 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1xsi s SER 109 CO 0.01 -0.24 0.01 0.00 0.98 0.00 0.00 173.24 173.99 1xsi s ALA 110 N -2.03 3.21 -0.11 5.32 0.00 0.52 -0.35 121.76 128.33 1xsi s ALA 110 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1xsi s ALA 110 Cb -0.05 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.40 1xsi s ALA 110 CO -0.00 0.27 -0.11 0.50 0.00 0.00 0.00 175.76 176.42 1xsi s ARG 111 N 0.14 1.80 -0.20 0.00 3.52 0.98 -0.53 118.95 124.67 1xsi s ARG 111 Ca 0.02 -0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 55.15 1xsi s ARG 111 Cb -0.13 -1.67 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 1xsi s ARG 111 CO 0.02 -0.16 0.08 0.08 -0.81 0.00 0.00 175.30 174.51 1xsi s VAL 112 N 1.30 4.86 -0.19 7.11 1.01 0.41 -0.58 120.40 134.33 1xsi s VAL 112 Ca -0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1xsi s VAL 112 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1xsi s VAL 112 CO -0.05 0.43 0.83 -0.44 0.00 0.00 0.00 175.10 175.88 1xsi s SER 113 N 0.56 6.92 0.86 3.32 0.01 -0.66 -1.03 113.70 123.68 1xsi s SER 113 Ca 0.04 1.14 -0.13 0.00 1.31 0.00 0.00 55.95 58.31 1xsi s SER 113 Cb -0.13 -2.45 0.11 0.00 0.21 0.00 0.00 66.02 63.76 1xsi s SER 113 CO 0.01 -0.43 1.18 -0.54 0.41 0.00 0.00 173.24 173.87 1xsi s LYS 114 N 2.35 1.56 1.86 12.44 1.02 -0.21 -4.14 119.74 134.63 1xsi s LYS 114 Ca 0.37 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1xsi s LYS 114 Cb -0.16 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1xsi s LYS 114 CO 0.11 -1.87 0.00 0.41 -0.92 0.00 0.00 175.35 173.08 1xsi n GLY 115 N -3.05 -0.92 0.17 -3.33 0.00 -1.26 -4.35 105.19 92.44 1xsi n GLY 115 Ca 0.08 -1.40 0.02 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 -3.37 1.61 4.81 -1.93 -3.38 114.58 112.31 1xsi h GLU 116 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 1xsi h GLU 116 Cb 0.00 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 29.00 1xsi h GLU 116 CO 0.00 0.46 -0.40 -0.06 -0.73 0.00 0.00 179.01 178.28 1xsi s PHE 117 N -3.82 3.49 0.43 0.92 0.08 -1.26 -4.99 117.98 112.83 1xsi s PHE 117 Ca -0.02 -3.01 -0.25 0.00 0.12 0.00 0.00 56.93 53.77 1xsi s PHE 117 Cb 0.13 -3.03 -0.09 0.00 -0.57 0.00 0.00 43.02 39.46 1xsi s PHE 117 CO 0.72 -0.74 1.32 1.87 -0.10 0.00 0.00 175.22 178.30 1xsi n TRP 118 N 2.84 2.30 -3.61 0.36 -0.00 -1.26 -4.74 117.44 113.33 1xsi n TRP 118 Ca 0.13 0.48 -0.13 0.00 -0.00 0.00 0.00 57.50 57.97 1xsi n TRP 118 Cb 0.36 -2.40 -0.07 0.00 -0.00 0.00 0.00 31.31 29.20 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 -0.51 -0.65 -0.23 5.87 0.15 -1.26 -4.22 113.70 112.84 1xsi s SER 119 Ca 0.61 1.17 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1xsi s SER 119 Cb -0.49 1.15 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1xsi s SER 119 CO 0.58 -0.29 -0.11 -0.22 1.20 0.00 0.00 173.24 174.40 1xsi s LEU 120 N 0.04 2.96 -0.04 3.45 0.20 -0.82 -1.65 118.68 122.82 1xsi s LEU 120 Ca -0.01 -0.94 0.06 0.00 0.69 0.00 0.00 54.13 53.93 1xsi s LEU 120 Cb -0.04 -1.58 -0.02 0.00 -0.43 0.00 0.00 46.19 44.12 1xsi s LEU 120 CO 0.01 -0.11 -0.23 -1.81 -0.29 0.00 0.00 176.35 173.92 1xsi s ASP 121 N 1.26 3.32 -0.24 3.68 1.01 0.25 0.06 116.67 126.02 1xsi s ASP 121 Ca -0.01 -0.40 -0.09 0.00 0.71 0.00 0.00 52.55 52.76 1xsi s ASP 121 Cb -0.16 -0.59 -0.04 0.00 1.01 0.00 0.00 42.92 43.14 1xsi s ASP 121 CO -0.07 0.31 0.11 -0.36 0.21 0.00 0.00 175.17 175.37 1xsi s PHE 122 N -0.54 3.19 -0.01 4.23 0.08 -0.33 -0.01 117.98 124.59 1xsi s PHE 122 Ca 0.07 -0.09 0.08 0.00 0.12 0.00 0.00 56.93 57.12 1xsi s PHE 122 Cb -0.11 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1xsi s PHE 122 CO 0.00 -0.13 -0.26 -0.51 -0.10 0.00 0.00 175.22 174.22 1xsi s LEU 123 N 1.28 2.07 -0.26 -0.37 2.01 0.53 -0.90 118.68 123.05 1xsi s LEU 123 Ca 0.06 -0.49 -0.02 0.00 0.01 0.00 0.00 54.13 53.69 1xsi s LEU 123 Cb -0.14 -1.31 0.03 0.00 0.01 0.00 0.00 46.19 44.78 1xsi s LEU 123 CO 0.05 0.30 -0.04 -0.60 1.01 0.00 0.00 176.35 177.07 1xsi s ARG 124 N -0.73 2.74 -1.35 1.70 3.52 -0.02 -0.65 118.95 124.16 1xsi s ARG 124 Ca 0.10 -1.05 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 1xsi s ARG 124 Cb -0.10 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1xsi s ARG 124 CO -0.00 -0.46 0.11 0.09 -0.81 0.00 0.00 175.30 174.23 1xsi n ASN 125 N 4.67 0.06 0.00 -2.12 5.03 -0.06 -1.09 115.26 121.74 1xsi n ASN 125 Ca -0.15 -1.17 0.00 0.00 0.87 0.00 0.00 54.58 54.13 1xsi n ASN 125 Cb 0.46 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.78 1xsi n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsi n GLY 126 N -2.37 1.67 3.76 7.41 0.00 -1.26 -5.03 105.19 109.37 1xsi n GLY 126 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1xsi n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsi s GLU 127 N -0.08 4.07 -0.03 1.61 2.02 -0.25 -5.02 118.70 121.02 1xsi s GLU 127 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 1xsi s GLU 127 Cb 0.00 -3.38 -0.07 0.00 0.10 0.00 0.00 34.13 30.78 1xsi s GLU 127 CO 0.00 0.38 1.87 0.50 0.02 0.00 0.00 175.26 178.03 1xsi s ARG 128 N 0.11 4.04 -0.12 1.61 3.52 -1.26 -0.84 118.95 126.01 1xsi s ARG 128 Ca 0.11 2.36 0.20 0.00 -0.13 0.00 0.00 55.73 58.27 1xsi s ARG 128 Cb -0.12 -4.12 -0.29 0.00 -1.56 0.00 0.00 34.95 28.86 1xsi s ARG 128 CO 0.00 -1.04 0.26 0.44 -0.81 0.00 0.00 175.30 174.16 1xsi n ILE 129 N 5.78 0.73 -3.61 4.11 -5.35 -0.07 -4.92 119.36 116.02 1xsi n ILE 129 Ca 0.20 -0.69 -0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1xsi n ILE 129 Cb 0.42 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 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 -2.52 0.00 -1.39 7.28 5.66 -1.21 -4.89 114.28 117.21 1xsi n THR 130 Ca -0.19 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1xsi n THR 130 Cb 0.88 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 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 -0.19 -2.33 3.12 1.09 0.00 -1.26 -1.18 105.19 104.43 1xsi n GLY 131 Ca -0.00 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.41 3.46 0.57 1.61 0.15 0.11 -0.69 113.70 117.50 1xsi s SER 132 Ca 0.00 -0.77 -0.14 0.00 0.70 0.00 0.00 55.95 55.74 1xsi s SER 132 Cb 0.00 -1.51 -0.06 0.00 -1.71 0.00 0.00 66.02 62.74 1xsi s SER 132 CO 0.00 -0.04 1.01 -1.10 1.20 0.00 0.00 173.24 174.31 1xsi s GLN 133 N 1.27 3.77 0.34 5.44 -0.21 -1.26 -1.95 119.66 127.06 1xsi s GLN 133 Ca 0.02 0.84 -0.28 0.00 0.02 0.00 0.00 55.36 55.97 1xsi s GLN 133 Cb -0.14 -2.11 -0.12 0.00 1.00 0.00 0.00 33.01 31.63 1xsi s GLN 133 CO -0.11 -0.42 1.29 1.55 -2.12 0.00 0.00 175.29 175.48 1xsi n VAL 134 N -2.18 2.01 -0.94 1.09 3.14 -1.26 -0.64 118.33 119.55 1xsi n VAL 134 Ca 0.06 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1xsi n VAL 134 Cb 0.54 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 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 0.54 -0.76 -0.41 1.45 5.02 -1.26 -4.86 118.16 117.88 1xsi n LYS 135 Ca 0.05 0.19 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1xsi n LYS 135 Cb 0.36 -3.88 0.32 0.00 -0.02 0.00 0.00 35.03 31.81 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 -0.38 4.00 -3.88 4.39 3.02 0.19 -4.94 115.26 117.66 1xsi n ASN 136 Ca 0.00 -2.08 -0.13 0.00 -0.03 0.00 0.00 54.58 52.34 1xsi n ASN 136 Cb 0.19 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.98 0.43 0.00 6.41 2.20 -1.26 -0.85 114.94 120.89 1xsi s ASN 137 Ca 0.49 -1.35 0.00 0.00 -0.94 0.00 0.00 52.86 51.06 1xsi s ASN 137 Cb 0.26 0.50 0.00 0.00 -2.00 0.00 0.00 41.25 40.01 1xsi s ASN 137 CO 0.31 -1.02 0.00 0.61 -2.94 0.00 0.00 177.10 174.07 1xsi n GLY 138 N -0.39 0.76 3.23 0.45 0.00 -0.97 -4.33 105.19 103.93 1xsi n GLY 138 Ca 0.02 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.21 2.42 -0.19 1.61 5.04 -0.18 -1.24 117.35 121.60 1xsi s TYR 139 Ca 0.00 -0.87 -0.01 0.00 -2.44 0.00 0.00 57.07 53.75 1xsi s TYR 139 Cb 0.00 -1.61 0.00 0.00 0.35 0.00 0.00 41.96 40.70 1xsi s TYR 139 CO 0.00 -0.32 -0.12 0.08 -1.34 0.00 0.00 175.55 173.85 1xsi s VAL 140 N 0.13 2.82 -0.39 3.14 1.01 0.04 -1.86 120.40 125.29 1xsi s VAL 140 Ca -0.12 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1xsi s VAL 140 Cb -0.16 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1xsi s VAL 140 CO 0.06 0.48 0.23 -1.58 0.00 0.00 0.00 175.10 174.30 1xsi s GLN 141 N 1.22 2.84 -0.60 2.72 0.74 -0.07 -0.82 119.66 125.69 1xsi s GLN 141 Ca 0.02 -1.08 -0.26 0.00 0.05 0.00 0.00 55.36 54.09 1xsi s GLN 141 Cb -0.14 -3.79 0.04 0.00 1.10 0.00 0.00 33.01 30.21 1xsi s GLN 141 CO -0.05 -0.72 1.08 0.34 -0.55 0.00 0.00 175.29 175.38 1xsi s ASP 142 N 1.59 6.33 0.00 6.67 -1.08 -0.22 -1.54 116.67 128.43 1xsi s ASP 142 Ca 0.03 -0.28 0.30 0.00 -0.52 0.00 0.00 52.55 52.08 1xsi s ASP 142 Cb -0.19 -2.49 1.48 0.00 -1.46 0.00 0.00 42.92 40.25 1xsi s ASP 142 CO 0.07 -1.43 2.03 0.35 0.52 0.00 0.00 175.17 176.72 1xsi n THR 143 N 6.36 0.00 0.12 1.71 -2.24 0.33 -1.12 114.28 119.44 1xsi n THR 143 Ca 0.04 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 1xsi n THR 143 Cb 0.48 -0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 1xsi n THR 143 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xsi h ASN 144 N 0.03 0.62 -0.01 3.42 2.35 -1.90 -3.38 115.58 116.71 1xsi h ASN 144 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 56.30 55.05 1xsi h ASN 144 Cb 0.31 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xsi h ASN 144 CO 0.00 1.55 0.00 -0.46 -1.65 0.00 0.00 177.43 176.87 1xsi n ASN 145 N -3.61 1.25 -2.95 5.81 0.23 -1.21 -4.99 115.26 109.79 1xsi n ASN 145 Ca -0.14 -1.15 -0.19 0.00 -0.53 0.00 0.00 54.58 52.57 1xsi n ASN 145 Cb 1.07 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.77 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 0.10 -3.24 -3.87 -3.83 0.00 -0.27 -5.01 117.38 101.25 1xsi n GLN 146 Ca 0.01 0.63 -0.32 0.00 0.00 0.00 0.00 57.00 57.32 1xsi n GLN 146 Cb 0.07 -5.33 -0.04 0.00 0.00 0.00 0.00 30.24 24.94 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 -5.58 3.48 0.04 2.61 0.52 -1.18 -4.95 118.95 113.88 1xsi s ARG 147 Ca 0.23 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 55.17 1xsi s ARG 147 Cb -0.12 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 1xsi s ARG 147 CO 0.28 0.60 -0.23 -0.80 0.02 0.00 0.00 175.30 175.17 1xsi s ASN 148 N -2.38 2.75 0.07 0.23 0.01 -1.26 -1.05 114.94 113.31 1xsi s ASN 148 Ca 0.35 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.97 1xsi s ASN 148 Cb -0.13 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 1xsi s ASN 148 CO 0.26 0.21 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.69 1xsi s TYR 149 N -0.78 0.73 0.01 2.20 2.02 -0.00 -2.81 117.35 118.72 1xsi s TYR 149 Ca 0.09 -0.83 0.06 0.00 -0.37 0.00 0.00 57.07 56.02 1xsi s TYR 149 Cb -0.09 -0.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 1xsi s TYR 149 CO 0.02 -0.18 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.00 1xsi s MET 150 N -3.22 2.21 0.12 -0.62 -1.94 -0.37 -0.78 119.30 114.70 1xsi s MET 150 Ca 0.04 -0.89 -0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1xsi s MET 150 Cb 0.02 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 1xsi s MET 150 CO -0.04 0.57 0.09 -0.59 -0.01 0.00 0.00 175.02 175.03 1xsi s PHE 151 N -0.85 0.66 0.02 -0.03 -0.71 -0.38 -1.47 117.98 115.24 1xsi s PHE 151 Ca 0.13 -1.07 -0.14 0.00 -1.04 0.00 0.00 56.93 54.81 1xsi s PHE 151 Cb -0.10 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.37 1xsi s PHE 151 CO 0.04 -0.53 0.31 -2.00 -1.34 0.00 0.00 175.22 171.70 1xsi s GLU 152 N -3.99 0.77 -0.09 1.99 2.56 -0.79 -2.29 118.70 116.85 1xsi s GLU 152 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 54.97 54.75 1xsi s GLU 152 Cb 0.07 0.33 0.03 0.00 2.00 0.00 0.00 34.13 36.56 1xsi s GLU 152 CO -0.02 -0.24 -0.00 1.03 -0.56 0.00 0.00 175.26 175.47 1xsi s ARG 153 N -2.11 0.70 -0.17 4.30 0.52 -0.03 -1.46 118.95 120.70 1xsi s ARG 153 Ca -0.08 0.02 -0.08 0.00 -0.52 0.00 0.00 55.73 55.08 1xsi s ARG 153 Cb -0.02 -1.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 1xsi s ARG 153 CO -0.01 -0.33 0.10 -0.51 0.02 0.00 0.00 175.30 174.57 1xsi s LEU 154 N 1.94 4.07 0.68 2.53 1.43 -0.33 -4.39 118.68 124.61 1xsi s LEU 154 Ca 0.04 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 1xsi s LEU 154 Cb -0.13 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1xsi s LEU 154 CO -0.06 0.24 1.23 -1.81 0.23 0.00 0.00 176.35 176.19 1xsi s ASP 155 N -0.04 4.50 -0.09 2.29 1.01 0.13 -0.95 116.67 123.53 1xsi s ASP 155 Ca 0.08 2.44 0.04 0.00 0.71 0.00 0.00 52.55 55.83 1xsi s ASP 155 Cb -0.12 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1xsi s ASP 155 CO 0.00 -2.06 -0.23 -0.76 0.21 0.00 0.00 175.17 172.34 1xsi s LEU 156 N -4.71 2.03 0.94 1.23 1.43 0.67 -4.63 118.68 115.64 1xsi s LEU 156 Ca 0.77 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1xsi s LEU 156 Cb -0.32 -1.32 0.19 0.00 0.03 0.00 0.00 46.19 44.77 1xsi s LEU 156 CO 0.41 0.16 1.29 -0.83 0.23 0.00 0.00 176.35 177.61 1xsi s GLY 157 N 0.30 1.78 0.19 -3.19 0.00 -1.26 -4.76 107.32 100.38 1xsi s GLY 157 Ca -0.16 -1.28 -0.33 0.00 0.00 0.00 0.00 44.72 42.96 1xsi s GLY 157 CO 0.07 -0.53 1.69 -0.62 0.00 0.00 0.00 173.10 173.72 1xsi n VAL 158 N -3.66 0.03 -1.08 1.40 0.31 -1.26 -2.32 118.33 111.75 1xsi n VAL 158 Ca 0.15 -0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.45 1xsi n VAL 158 Cb 0.60 -1.87 -0.01 0.00 -0.91 0.00 0.00 33.84 31.64 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 3.84 0.48 3.64 2.92 0.00 -1.26 -5.00 105.19 109.81 1xsi n GLY 159 Ca 0.16 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.48 4.16 0.24 1.61 2.12 -0.98 -4.97 118.70 119.40 1xsi s GLU 160 Ca 0.00 0.69 0.08 0.00 0.36 0.00 0.00 54.97 56.10 1xsi s GLU 160 Cb 0.00 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1xsi s GLU 160 CO 0.00 -0.40 0.06 0.95 -0.54 0.00 0.00 175.26 175.33 1xsi s THR 161 N 2.45 3.86 0.02 -1.70 -4.23 -1.26 -4.82 115.64 109.96 1xsi s THR 161 Ca 0.30 -1.61 0.09 0.00 -1.18 0.00 0.00 61.69 59.28 1xsi s THR 161 Cb -0.16 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 1xsi s THR 161 CO 0.09 -0.30 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.93 1xsi s VAL 162 N -2.11 2.04 0.16 2.29 1.01 -1.26 -2.25 120.40 120.28 1xsi s VAL 162 Ca 0.31 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1xsi s VAL 162 Cb -0.08 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1xsi s VAL 162 CO 0.21 0.42 0.03 -0.31 0.00 0.00 0.00 175.10 175.46 1xsi s TYR 163 N -0.73 1.10 0.00 5.22 2.02 0.10 0.04 117.35 125.10 1xsi s TYR 163 Ca 0.11 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.68 1xsi s TYR 163 Cb -0.10 -0.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 1xsi s TYR 163 CO 0.01 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 1xsi n GLY 164 N -0.20 0.96 2.48 0.71 0.00 -1.26 -1.51 105.19 106.37 1xsi n GLY 164 Ca -0.05 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.15 0.00 0.99 4.77 0.47 -4.82 117.00 118.26 1xsi n LEU 165 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1xsi n LEU 165 Cb 0.00 -1.81 0.00 0.00 -2.33 0.00 0.00 43.42 39.28 1xsi n LEU 165 CO 0.00 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.04 1xsi n GLY 166 N -1.02 -0.41 3.48 -0.72 0.00 -1.24 -3.22 105.19 102.05 1xsi n GLY 166 Ca -0.06 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 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 3.19 0.18 1.61 2.12 -0.59 -3.71 118.70 121.51 1xsi s GLU 167 Ca 0.00 -0.83 0.09 0.00 0.36 0.00 0.00 54.97 54.59 1xsi s GLU 167 Cb 0.00 -4.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.01 1xsi s GLU 167 CO 0.00 -1.89 -0.19 1.03 -0.54 0.00 0.00 175.26 173.66 1xsi s ARG 168 N 4.29 1.35 0.00 4.30 0.52 -1.26 -4.56 118.95 123.59 1xsi s ARG 168 Ca 0.27 -1.46 0.06 0.00 -0.52 0.00 0.00 55.73 54.08 1xsi s ARG 168 Cb -0.13 -1.45 0.11 0.00 0.52 0.00 0.00 34.95 34.00 1xsi s ARG 168 CO 0.08 0.29 0.90 1.19 0.02 0.00 0.00 175.30 177.79 1xsi n PHE 169 N 0.20 0.12 -0.95 -0.53 3.72 -1.26 -3.00 117.46 115.76 1xsi n PHE 169 Ca -0.12 -0.22 -0.04 0.00 -0.05 0.00 0.00 57.45 57.02 1xsi n PHE 169 Cb 0.57 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.25 0.00 -1.56 4.37 -2.24 -1.26 -4.84 114.28 109.00 1xsi n THR 170 Ca 0.05 -0.10 -0.47 0.00 -2.27 0.00 0.00 64.05 61.26 1xsi n THR 170 Cb 0.25 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 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 -3.15 -0.88 -0.11 6.98 0.00 -1.26 -4.88 120.51 117.20 1xsi n ALA 171 Ca -0.03 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 1xsi n ALA 171 Cb 0.07 -1.95 0.02 0.00 0.00 0.00 0.00 19.45 17.59 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 2.33 0.03 -9.51 0.00 5.85 -1.93 -3.39 115.31 108.68 1xsi h LEU 172 Ca -0.39 0.06 -0.54 0.00 0.84 0.00 0.00 57.88 57.84 1xsi h LEU 172 Cb 1.36 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1xsi h LEU 172 CO 0.63 0.05 0.18 -0.69 -0.34 0.00 0.00 178.44 178.28 1xsi s VAL 173 N -6.16 4.76 -0.21 1.05 1.01 -1.26 -4.62 120.40 114.96 1xsi s VAL 173 Ca -0.13 1.67 0.18 0.00 0.00 0.00 0.00 61.98 63.70 1xsi s VAL 173 Cb 0.13 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1xsi s VAL 173 CO 0.71 0.33 1.31 0.03 0.00 0.00 0.00 175.10 177.49 1xsi h ARG 174 N 5.86 0.00 -6.12 2.72 -0.00 -0.61 -3.47 114.38 112.76 1xsi h ARG 174 Ca -0.43 0.00 -0.77 0.00 -0.50 0.00 0.00 59.98 58.28 1xsi h ARG 174 Cb 1.21 0.00 0.03 0.00 0.00 0.00 0.00 29.97 31.21 1xsi h ARG 174 CO 0.72 0.32 0.59 0.09 0.00 0.00 0.00 179.97 181.68 1xsi n ASN 175 N -3.08 1.49 0.00 7.04 4.13 -1.26 -0.81 115.26 122.77 1xsi n ASN 175 Ca -0.00 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.39 1xsi n ASN 175 Cb 0.70 -1.05 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 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 3.24 0.38 3.63 7.41 0.00 0.13 -5.00 105.19 114.99 1xsi n GLY 176 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1xsi n GLY 176 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xsi s GLN 177 N -0.92 2.48 -0.03 1.61 -2.07 0.01 -4.56 119.66 116.18 1xsi s GLN 177 Ca 0.00 -0.82 -0.18 0.00 -1.82 0.00 0.00 55.36 52.55 1xsi s GLN 177 Cb 0.00 -2.49 -0.05 0.00 -1.09 0.00 0.00 33.01 29.38 1xsi s GLN 177 CO 0.00 0.56 0.49 0.99 -1.32 0.00 0.00 175.29 176.01 1xsi s THR 178 N -1.17 5.02 -0.03 3.63 2.01 -1.26 -1.03 115.64 122.81 1xsi s THR 178 Ca 0.21 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.24 1xsi s THR 178 Cb -0.11 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1xsi s THR 178 CO 0.13 0.45 -0.04 0.68 -0.69 0.00 0.00 174.62 175.15 1xsi s VAL 179 N -0.27 0.46 -0.20 3.82 -7.23 0.11 -5.00 120.40 112.10 1xsi s VAL 179 Ca 0.27 -0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 60.26 1xsi s VAL 179 Cb -0.17 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.26 1xsi s VAL 179 CO 0.14 0.19 0.03 -1.61 -0.31 0.00 0.00 175.10 173.54 1xsi s GLU 180 N 0.68 3.73 -0.88 4.82 0.41 -1.26 0.14 118.70 126.34 1xsi s GLU 180 Ca -0.09 -0.46 -0.22 0.00 -0.41 0.00 0.00 54.97 53.79 1xsi s GLU 180 Cb -0.12 -3.16 0.08 0.00 -1.78 0.00 0.00 34.13 29.15 1xsi s GLU 180 CO -0.00 0.06 1.22 0.95 -0.49 0.00 0.00 175.26 177.01 1xsi s THR 181 N 0.90 4.24 -0.23 3.63 -4.23 -0.49 -4.87 115.64 114.60 1xsi s THR 181 Ca 0.02 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.69 1xsi s THR 181 Cb -0.14 -4.87 0.12 0.00 1.34 0.00 0.00 72.50 68.94 1xsi s THR 181 CO 0.02 -1.69 0.38 0.86 -0.54 0.00 0.00 174.62 173.65 1xsi s TRP 182 N 4.13 -0.79 0.28 3.99 -0.11 -1.26 -3.94 118.94 121.23 1xsi s TRP 182 Ca 0.35 1.00 -0.30 0.00 1.22 0.00 0.00 56.10 58.37 1xsi s TRP 182 Cb -0.06 0.08 -0.12 0.00 -1.50 0.00 0.00 33.47 31.87 1xsi s TRP 182 CO -0.03 -0.64 1.55 0.09 -4.62 0.00 0.00 176.95 173.30 1xsi n ASN 183 N 5.37 3.59 -4.00 5.86 3.02 -1.26 -4.60 115.26 123.23 1xsi n ASN 183 Ca -0.05 1.15 -0.08 0.00 -0.03 0.00 0.00 54.58 55.57 1xsi n ASN 183 Cb 0.50 -1.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.03 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 -0.48 0.68 -0.86 3.52 0.52 0.56 -4.66 118.95 118.23 1xsi s ARG 184 Ca 0.65 -1.09 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 1xsi s ARG 184 Cb -0.53 0.25 0.21 0.00 0.52 0.00 0.00 34.95 35.40 1xsi s ARG 184 CO 0.49 -0.16 0.84 0.34 0.02 0.00 0.00 175.30 176.83 1xsi s ASP 185 N -2.82 6.76 0.00 0.23 -1.08 -1.26 -3.25 116.67 115.25 1xsi s ASP 185 Ca 0.05 -2.62 0.00 0.00 -0.52 0.00 0.00 52.55 49.46 1xsi s ASP 185 Cb 0.06 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 1xsi s ASP 185 CO -0.10 -0.64 0.62 0.61 0.52 0.00 0.00 175.17 176.18 1xsi n GLY 186 N 4.17 0.30 7.00 2.66 0.00 -1.26 -5.11 105.19 112.95 1xsi n GLY 186 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.19 -1.58 1.13 -0.02 0.00 -1.26 -4.46 105.19 98.81 1xsi n GLY 187 Ca 0.00 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.51 0.76 0.00 2.61 -2.24 -1.25 -4.65 114.28 109.01 1xsi n THR 188 Ca 0.00 -0.88 0.05 0.00 -2.27 0.00 0.00 64.05 60.95 1xsi n THR 188 Cb 0.00 0.72 0.12 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.38 2.61 -3.13 3.42 7.64 -1.26 -4.75 113.62 119.52 1xsi n SER 189 Ca 0.20 -1.84 -0.17 0.00 1.01 0.00 0.00 58.87 58.07 1xsi n SER 189 Cb 0.57 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.51 0.00 0.64 0.44 -2.24 -1.26 -5.02 114.28 107.34 1xsi n THR 190 Ca 0.10 -1.42 0.08 0.00 -2.27 0.00 0.00 64.05 60.54 1xsi n THR 190 Cb 0.38 0.43 0.38 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.62 0.06 -1.97 -0.78 0.00 -1.26 -4.37 120.64 111.70 1xsi n GLU 191 Ca -0.06 0.19 -0.30 0.00 0.00 0.00 0.00 57.16 56.98 1xsi n GLU 191 Cb 0.37 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.34 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 -2.90 3.23 -0.00 3.44 -0.21 -1.26 -4.88 119.66 117.08 1xsi s GLN 192 Ca 0.10 0.53 -0.03 0.00 0.02 0.00 0.00 55.36 55.98 1xsi s GLN 192 Cb 0.11 -2.09 -0.00 0.00 1.00 0.00 0.00 33.01 32.03 1xsi s GLN 192 CO 0.30 -0.75 0.06 0.00 -2.12 0.00 0.00 175.29 172.77 1xsi s ALA 193 N -3.21 -0.12 0.16 6.09 0.00 -1.26 -4.67 121.76 118.74 1xsi s ALA 193 Ca 0.56 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1xsi s ALA 193 Cb -0.11 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 1xsi s ALA 193 CO 0.52 -0.14 1.36 1.88 0.00 0.00 0.00 175.76 179.38 1xsi h TYR 194 N 4.95 0.05 -3.06 0.00 0.05 -1.79 0.16 116.97 117.32 1xsi h TYR 194 Ca -0.29 -0.03 -0.62 0.00 0.05 0.00 0.00 58.73 57.84 1xsi h TYR 194 Cb 1.20 -0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.53 1xsi h TYR 194 CO 0.56 0.92 -0.69 0.15 -1.05 0.00 0.00 178.16 178.04 1xsi s LYS 195 N -2.97 1.70 0.02 4.88 1.02 -1.26 -3.42 119.74 119.70 1xsi s LYS 195 Ca -0.00 -2.47 -0.17 0.00 0.02 0.00 0.00 55.97 53.34 1xsi s LYS 195 Cb 0.11 -2.76 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1xsi s LYS 195 CO 0.81 -1.19 0.49 -0.80 -0.92 0.00 0.00 175.35 173.74 1xsi s ASN 196 N -0.24 6.92 -0.09 2.83 0.01 -1.25 -1.54 114.94 121.58 1xsi s ASN 196 Ca 0.20 1.09 -0.03 0.00 -0.71 0.00 0.00 52.86 53.41 1xsi s ASN 196 Cb -0.18 -2.30 0.05 0.00 0.41 0.00 0.00 41.25 39.22 1xsi s ASN 196 CO -0.05 0.28 0.14 -0.63 -1.51 0.00 0.00 177.10 175.33 1xsi s ILE 197 N -0.96 -0.23 -0.15 0.60 -1.09 -1.20 -4.45 121.20 113.73 1xsi s ILE 197 Ca 0.26 0.29 -0.06 0.00 -2.23 0.00 0.00 60.65 58.92 1xsi s ILE 197 Cb -0.18 -0.32 -0.22 0.00 -1.58 0.00 0.00 42.46 40.16 1xsi s ILE 197 CO 0.16 0.09 3.17 -0.81 -1.23 0.00 0.00 174.94 176.32 1xsi n PRO 198 N 5.32 1.90 -4.76 2.79 -0.04 -1.26 -3.64 135.00 135.31 1xsi n PRO 198 Ca -0.05 -0.99 -0.26 0.00 -0.04 0.00 0.00 63.50 62.16 1xsi n PRO 198 Cb 0.50 -2.02 -0.17 0.00 -0.04 0.00 0.00 33.50 31.78 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 1.39 1.72 0.16 0.54 5.36 -1.26 -1.37 117.98 124.53 1xsi s PHE 199 Ca 0.59 -0.63 0.06 0.00 -0.96 0.00 0.00 56.93 55.99 1xsi s PHE 199 Cb 0.27 -1.21 -0.04 0.00 -0.34 0.00 0.00 43.02 41.69 1xsi s PHE 199 CO -0.01 -0.28 -0.12 1.52 -1.46 0.00 0.00 175.22 174.87 1xsi s TYR 200 N 0.47 1.45 0.24 10.12 -0.85 -0.81 -0.39 117.35 127.57 1xsi s TYR 200 Ca -0.13 -0.66 0.02 0.00 -0.52 0.00 0.00 57.07 55.78 1xsi s TYR 200 Cb -0.15 -0.71 -0.05 0.00 0.38 0.00 0.00 41.96 41.42 1xsi s TYR 200 CO 0.04 0.19 0.05 0.00 -1.52 0.00 0.00 175.55 174.31 1xsi s MET 201 N -3.54 1.36 0.29 -3.49 0.23 -0.57 -1.02 119.30 112.56 1xsi s MET 201 Ca 0.18 -1.71 0.04 0.00 -1.03 0.00 0.00 55.69 53.16 1xsi s MET 201 Cb 0.00 -0.43 -0.06 0.00 -1.53 0.00 0.00 34.83 32.81 1xsi s MET 201 CO 0.03 -0.20 0.03 0.95 -2.03 0.00 0.00 175.02 173.80 1xsi s THR 202 N -3.59 1.18 -2.00 3.16 -4.23 -0.92 -0.72 115.64 108.52 1xsi s THR 202 Ca 0.32 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1xsi s THR 202 Cb 0.07 -2.63 0.22 0.00 1.34 0.00 0.00 72.50 71.51 1xsi s THR 202 CO 0.11 -0.12 1.06 -0.46 -0.54 0.00 0.00 174.62 174.66 1xsi n ASN 203 N -0.59 0.00 -0.67 3.99 6.94 -0.95 -1.85 115.26 122.12 1xsi n ASN 203 Ca -0.03 -1.16 0.13 0.00 -0.02 0.00 0.00 54.58 53.50 1xsi n ASN 203 Cb 0.65 0.00 0.36 0.00 -2.36 0.00 0.00 39.78 38.43 1xsi n ASN 203 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1xsi n ARG 204 N -0.68 1.93 -2.66 -3.83 0.63 -1.26 -4.98 116.66 105.81 1xsi n ARG 204 Ca 0.06 -1.35 -0.04 0.00 -0.92 0.00 0.00 57.85 55.60 1xsi n ARG 204 Cb 0.03 -1.47 0.01 0.00 0.45 0.00 0.00 32.46 31.48 1xsi n ARG 204 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xsi n GLY 205 N 1.24 0.70 3.17 5.14 0.00 -0.77 -4.93 105.19 109.74 1xsi n GLY 205 Ca 0.17 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.03 0.61 0.29 1.61 -0.85 -1.26 -1.88 117.35 112.84 1xsi s TYR 206 Ca 0.09 -1.04 0.02 0.00 -0.52 0.00 0.00 57.07 55.63 1xsi s TYR 206 Cb -0.04 -0.34 -0.06 0.00 0.38 0.00 0.00 41.96 41.90 1xsi s TYR 206 CO 0.11 -0.51 0.08 0.20 -1.52 0.00 0.00 175.55 173.91 1xsi s GLY 207 N -2.98 1.89 -0.08 5.49 0.00 0.83 -2.16 107.32 110.32 1xsi s GLY 207 Ca 0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 44.72 42.89 1xsi s GLY 207 CO -0.03 -1.70 0.18 -1.34 0.00 0.00 0.00 173.10 170.20 1xsi s VAL 208 N -3.53 -0.10 -0.16 1.40 -7.23 -0.19 -0.38 120.40 110.21 1xsi s VAL 208 Ca 0.37 0.21 -0.05 0.00 -1.81 0.00 0.00 61.98 60.69 1xsi s VAL 208 Cb 0.08 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.70 1xsi s VAL 208 CO 0.14 0.09 0.02 -0.22 -0.31 0.00 0.00 175.10 174.82 1xsi s LEU 209 N 1.44 3.59 -0.41 1.32 2.96 -0.37 -1.93 118.68 125.29 1xsi s LEU 209 Ca -0.07 0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1xsi s LEU 209 Cb -0.11 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.71 1xsi s LEU 209 CO -0.07 0.20 0.33 -0.69 -1.32 0.00 0.00 176.35 174.81 1xsi s VAL 210 N 0.20 5.22 -1.53 1.68 1.01 -0.47 0.37 120.40 126.88 1xsi s VAL 210 Ca 0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1xsi s VAL 210 Cb -0.13 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1xsi s VAL 210 CO 0.01 -0.32 2.62 -3.20 0.00 0.00 0.00 175.10 174.21 1xsi n ASN 211 N 5.27 6.77 -3.62 3.32 5.15 0.49 -4.78 115.26 127.86 1xsi n ASN 211 Ca -0.10 -2.73 -0.22 0.00 -0.60 0.00 0.00 54.58 50.93 1xsi n ASN 211 Cb 0.47 -1.58 -0.17 0.00 -0.53 0.00 0.00 39.78 37.97 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 2.28 0.06 0.14 1.20 3.76 -1.26 -4.76 115.29 116.70 1xsi s HIS 212 Ca 0.59 0.04 0.19 0.00 -0.15 0.00 0.00 55.06 55.73 1xsi s HIS 212 Cb 0.16 -0.54 0.67 0.00 1.11 0.00 0.00 32.58 33.98 1xsi s HIS 212 CO -0.07 -0.39 1.72 -1.35 -0.85 0.00 0.00 174.74 173.81 1xsi h PRO 213 N 8.41 0.00 -7.30 8.40 0.11 -1.90 -3.43 132.00 136.30 1xsi h PRO 213 Ca -0.14 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.56 1xsi h PRO 213 Cb 1.14 0.00 0.20 0.00 0.11 0.00 0.00 31.00 32.44 1xsi h PRO 213 CO 0.23 0.36 0.07 1.14 -0.21 0.00 0.00 178.00 179.59 1xsi s GLN 214 N -3.56 -1.47 0.07 1.05 0.00 -1.26 -4.50 119.66 109.98 1xsi s GLN 214 Ca 0.00 0.08 -0.33 0.00 -0.00 0.00 0.00 55.36 55.11 1xsi s GLN 214 Cb 0.11 -1.55 -0.12 0.00 0.00 0.00 0.00 33.01 31.44 1xsi s GLN 214 CO 0.68 -3.91 1.76 0.00 0.00 0.00 0.00 175.29 173.83 1xsi s VAL 216 N 2.54 4.59 -0.42 0.00 1.01 -1.25 -4.56 120.40 122.30 1xsi s VAL 216 Ca 0.84 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 1xsi s VAL 216 Cb -0.62 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1xsi s VAL 216 CO 0.42 0.42 0.39 -0.55 0.00 0.00 0.00 175.10 175.78 1xsi s SER 217 N 0.75 6.16 -0.17 3.32 0.15 -0.80 -1.40 113.70 121.71 1xsi s SER 217 Ca 0.03 -0.81 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 1xsi s SER 217 Cb -0.13 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1xsi s SER 217 CO 0.02 -0.54 0.10 -0.36 1.20 0.00 0.00 173.24 173.66 1xsi s PHE 218 N 1.94 3.38 -0.47 3.44 0.40 0.12 -1.30 117.98 125.50 1xsi s PHE 218 Ca 0.09 0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.69 1xsi s PHE 218 Cb -0.18 -2.05 0.12 0.00 0.51 0.00 0.00 43.02 41.42 1xsi s PHE 218 CO 0.12 0.37 0.25 -1.21 0.70 0.00 0.00 175.22 175.44 1xsi s GLU 219 N -0.06 2.06 -0.85 0.44 0.41 0.82 -0.71 118.70 120.82 1xsi s GLU 219 Ca 0.08 -2.12 -0.20 0.00 -0.41 0.00 0.00 54.97 52.32 1xsi s GLU 219 Cb -0.12 -3.53 0.11 0.00 -1.78 0.00 0.00 34.13 28.81 1xsi s GLU 219 CO 0.00 -1.08 1.10 0.08 -0.49 0.00 0.00 175.26 174.87 1xsi s VAL 220 N 0.61 4.55 -1.22 2.63 1.01 -0.20 -1.67 120.40 126.10 1xsi s VAL 220 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1xsi s VAL 220 Cb -0.22 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.39 1xsi s VAL 220 CO -0.04 -1.52 0.00 0.61 0.00 0.00 0.00 175.10 174.15 1xsi n GLY 221 N 5.55 0.01 0.00 4.51 0.00 -0.12 0.18 105.19 115.31 1xsi n GLY 221 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.45 0.90 0.01 1.61 3.41 -1.25 -3.90 113.62 112.95 1xsi n SER 222 Ca -0.15 -0.64 -0.01 0.00 -0.26 0.00 0.00 58.87 57.80 1xsi n SER 222 Cb 0.57 1.15 -0.00 0.00 -0.26 0.00 0.00 64.21 65.66 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 -1.48 0.09 -3.54 4.33 2.13 -1.26 -4.96 120.64 115.94 1xsi n GLU 223 Ca 0.01 0.03 -0.39 0.00 0.66 0.00 0.00 57.16 57.48 1xsi n GLU 223 Cb 0.25 -0.51 -0.11 0.00 0.27 0.00 0.00 31.44 31.35 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 -1.78 3.72 0.52 5.31 -0.14 -1.26 -4.98 119.74 121.13 1xsi s LYS 224 Ca -0.05 -0.46 0.29 0.00 -1.36 0.00 0.00 55.97 54.40 1xsi s LYS 224 Cb 0.01 -3.74 1.35 0.00 -1.68 0.00 0.00 37.83 33.77 1xsi s LYS 224 CO 0.07 -0.32 2.00 -0.39 -0.76 0.00 0.00 175.35 175.94 1xsi h VAL 225 N 5.44 0.38 -0.58 3.17 -1.51 -1.93 -2.47 116.25 118.74 1xsi h VAL 225 Ca -0.33 -0.67 -0.26 0.00 -1.23 0.00 0.00 66.70 64.21 1xsi h VAL 225 Cb 1.17 1.49 -0.16 0.00 -2.13 0.00 0.00 31.29 31.66 1xsi h VAL 225 CO 0.60 0.11 0.19 -1.54 -1.23 0.00 0.00 177.57 175.70 1xsi n SER 226 N -3.38 3.29 -3.76 4.19 3.41 -1.26 -4.52 113.62 111.60 1xsi n SER 226 Ca -0.01 -3.58 -0.13 0.00 -0.26 0.00 0.00 58.87 54.89 1xsi n SER 226 Cb 0.30 -0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 63.46 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 -3.19 0.62 -0.40 4.33 1.02 -0.93 -0.24 119.74 120.96 1xsi s LYS 227 Ca 0.49 -0.06 -0.17 0.00 0.02 0.00 0.00 55.97 56.26 1xsi s LYS 227 Cb 0.43 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 38.03 1xsi s LYS 227 CO 0.06 -0.16 0.40 0.08 -0.92 0.00 0.00 175.35 174.81 1xsi s VAL 228 N -1.04 5.13 -0.13 3.17 1.01 -0.13 -0.95 120.40 127.46 1xsi s VAL 228 Ca -0.11 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 1xsi s VAL 228 Cb -0.05 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1xsi s VAL 228 CO 0.04 -0.33 0.34 -1.58 0.00 0.00 0.00 175.10 173.56 1xsi s GLN 229 N 2.06 4.19 -0.02 2.72 0.74 -0.67 -1.19 119.66 127.49 1xsi s GLN 229 Ca 0.11 0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.75 1xsi s GLN 229 Cb -0.17 -3.39 -0.00 0.00 1.10 0.00 0.00 33.01 30.54 1xsi s GLN 229 CO 0.13 0.30 -0.11 -0.59 -0.55 0.00 0.00 175.29 174.48 1xsi s PHE 230 N 0.24 1.01 0.10 1.67 -0.12 -0.54 -0.12 117.98 120.22 1xsi s PHE 230 Ca 0.19 -0.22 0.03 0.00 -0.05 0.00 0.00 56.93 56.88 1xsi s PHE 230 Cb -0.14 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.53 1xsi s PHE 230 CO 0.06 -0.06 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.55 1xsi s SER 231 N -0.06 1.32 -0.08 1.98 1.04 -0.42 -1.89 113.70 115.60 1xsi s SER 231 Ca 0.01 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.43 1xsi s SER 231 Cb -0.06 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1xsi s SER 231 CO 0.00 -0.33 0.34 0.54 0.98 0.00 0.00 173.24 174.77 1xsi s VAL 232 N -2.84 0.03 -0.73 5.02 0.11 -0.54 -1.91 120.40 119.53 1xsi s VAL 232 Ca 0.07 -0.21 -0.27 0.00 -2.93 0.00 0.00 61.98 58.64 1xsi s VAL 232 Cb -0.00 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1xsi s VAL 232 CO -0.02 -0.12 1.43 -0.70 -3.33 0.00 0.00 175.10 172.36 1xsi s GLU 233 N -0.52 3.08 -0.02 1.54 2.12 -1.26 -1.23 118.70 122.41 1xsi s GLU 233 Ca -0.06 -0.11 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 1xsi s GLU 233 Cb -0.04 -4.31 0.10 0.00 0.26 0.00 0.00 34.13 30.15 1xsi s GLU 233 CO 0.02 -2.30 0.90 0.45 -0.54 0.00 0.00 175.26 173.79 1xsi s SER 234 N 4.82 -0.36 0.00 -1.70 0.15 -1.12 -4.98 113.70 110.51 1xsi s SER 234 Ca 0.43 0.04 0.27 0.00 0.70 0.00 0.00 55.95 57.40 1xsi s SER 234 Cb -0.08 0.37 0.91 0.00 -1.71 0.00 0.00 66.02 65.51 1xsi s SER 234 CO 0.14 -0.59 1.66 -0.62 1.20 0.00 0.00 173.24 175.04 1xsi n GLU 235 N -0.14 1.04 -3.86 5.44 -0.58 -1.26 -3.26 120.64 118.01 1xsi n GLU 235 Ca -0.09 -0.58 -0.10 0.00 -0.42 0.00 0.00 57.16 55.98 1xsi n GLU 235 Cb 0.61 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.91 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 -2.36 0.11 -0.06 -0.32 -0.85 -1.26 -0.69 117.35 111.93 1xsi s TYR 236 Ca 0.29 -0.42 0.04 0.00 -0.52 0.00 0.00 57.07 56.46 1xsi s TYR 236 Cb 0.20 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.48 1xsi s TYR 236 CO 0.46 -0.46 -0.17 -1.17 -1.52 0.00 0.00 175.55 172.69 1xsi s LEU 237 N -2.37 1.89 -0.06 -3.49 2.96 0.05 -4.84 118.68 112.82 1xsi s LEU 237 Ca -0.01 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1xsi s LEU 237 Cb 0.01 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.70 1xsi s LEU 237 CO -0.06 0.13 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.28 1xsi s GLU 238 N 0.21 1.65 0.03 1.98 2.12 -1.26 -0.58 118.70 122.84 1xsi s GLU 238 Ca -0.08 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 1xsi s GLU 238 Cb -0.13 -1.37 -0.00 0.00 0.26 0.00 0.00 34.13 32.88 1xsi s GLU 238 CO 0.04 0.04 0.13 1.52 -0.54 0.00 0.00 175.26 176.44 1xsi s TYR 239 N 0.63 0.11 -0.16 5.30 1.13 -0.37 -0.38 117.35 123.61 1xsi s TYR 239 Ca -0.14 -0.33 -0.01 0.00 -1.41 0.00 0.00 57.07 55.19 1xsi s TYR 239 Cb -0.15 -0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.62 1xsi s TYR 239 CO 0.03 -0.35 -0.12 -0.06 -2.51 0.00 0.00 175.55 172.54 1xsi s PHE 240 N -2.18 2.84 -0.14 -3.49 0.08 0.16 -1.26 117.98 113.99 1xsi s PHE 240 Ca -0.08 -0.91 -0.22 0.00 0.12 0.00 0.00 56.93 55.84 1xsi s PHE 240 Cb -0.03 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1xsi s PHE 240 CO -0.02 -0.42 0.65 0.08 -0.10 0.00 0.00 175.22 175.40 1xsi s VAL 241 N 0.84 5.05 -0.23 -0.44 1.01 -0.28 -1.23 120.40 125.11 1xsi s VAL 241 Ca -0.04 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 1xsi s VAL 241 Cb -0.15 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1xsi s VAL 241 CO 0.00 0.19 -0.10 -0.63 0.00 0.00 0.00 175.10 174.56 1xsi s ILE 242 N 1.35 2.63 0.60 2.22 1.01 0.49 -0.82 121.20 128.68 1xsi s ILE 242 Ca 0.32 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 1xsi s ILE 242 Cb -0.16 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1xsi s ILE 242 CO 0.13 0.25 1.09 -0.62 0.00 0.00 0.00 174.94 175.79 1xsi s ASP 243 N 1.29 5.54 0.00 3.58 2.15 -0.36 -0.12 116.67 128.76 1xsi s ASP 243 Ca 0.00 1.97 0.00 0.00 0.43 0.00 0.00 52.55 54.95 1xsi s ASP 243 Cb -0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1xsi s ASP 243 CO -0.06 -1.33 0.00 0.61 -0.17 0.00 0.00 175.17 174.21 1xsi n GLY 244 N -0.52 0.27 0.39 2.66 0.00 -0.79 -4.07 105.19 103.13 1xsi n GLY 244 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 1.49 -4.28 1.61 -0.04 -1.26 -4.67 135.00 127.85 1xsi n PRO 245 Ca 0.00 -0.76 -0.27 0.00 -0.04 0.00 0.00 63.50 62.43 1xsi n PRO 245 Cb 0.00 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.74 3.24 0.32 0.52 -4.23 -1.26 -4.13 115.64 108.36 1xsi s THR 246 Ca 0.17 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1xsi s THR 246 Cb 0.09 -2.61 0.31 0.00 1.34 0.00 0.00 72.50 71.64 1xsi s THR 246 CO 0.13 -0.10 1.72 -0.65 -0.54 0.00 0.00 174.62 175.17 1xsi h PRO 247 N 2.91 0.51 -0.12 3.99 0.11 -1.88 0.28 132.00 137.80 1xsi h PRO 247 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1xsi h PRO 247 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xsi h PRO 247 CO 0.54 0.34 -0.48 0.87 -0.21 0.00 0.00 178.00 179.06 1xsi h LYS 248 N 0.53 0.30 0.00 1.05 1.57 -1.96 -1.20 116.57 116.85 1xsi h LYS 248 Ca 0.65 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 59.10 1xsi h LYS 248 Cb 1.26 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1xsi h LYS 248 CO -0.50 0.72 -0.74 0.00 -0.57 0.00 0.00 179.45 178.36 1xsi h ALA 249 N 1.25 0.71 -0.37 3.86 0.00 -1.49 -1.50 119.26 121.73 1xsi h ALA 249 Ca 0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1xsi h ALA 249 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xsi h ALA 249 CO 0.08 0.93 0.06 0.28 0.00 0.00 0.00 179.25 180.60 1xsi h VAL 250 N 0.00 1.24 0.00 0.00 2.07 -0.51 -2.54 116.25 116.51 1xsi h VAL 250 Ca -0.01 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1xsi h VAL 250 Cb 1.36 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1xsi h VAL 250 CO 0.10 0.28 -0.28 -0.07 0.02 0.00 0.00 177.57 177.62 1xsi h LEU 251 N 0.45 0.00 0.08 2.57 3.38 -1.05 0.40 115.31 121.13 1xsi h LEU 251 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xsi h LEU 251 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xsi h LEU 251 CO 0.01 0.28 -0.04 -0.78 0.09 0.00 0.00 178.44 178.00 1xsi h ASP 252 N 0.00 -0.09 -0.50 -0.43 1.82 -1.02 -1.72 116.42 114.48 1xsi h ASP 252 Ca -0.00 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.21 1xsi h ASP 252 Cb 0.66 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 1xsi h ASP 252 CO 0.04 0.40 0.28 0.03 -1.61 0.00 0.00 179.24 178.38 1xsi h ARG 253 N -0.60 0.70 -0.87 0.28 3.08 -1.37 -1.62 114.38 113.98 1xsi h ARG 253 Ca -0.01 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.04 1xsi h ARG 253 Cb 0.50 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 1xsi h ARG 253 CO 0.02 0.54 0.53 -0.92 -1.07 0.00 0.00 179.97 179.07 1xsi h TYR 254 N 0.67 0.98 0.00 3.04 3.20 -0.91 -0.79 116.97 123.16 1xsi h TYR 254 Ca 0.18 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.88 1xsi h TYR 254 Cb 0.04 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1xsi h TYR 254 CO -0.02 0.47 -1.06 1.79 -1.64 0.00 0.00 178.16 177.70 1xsi h THR 255 N 0.94 1.30 -1.00 1.81 1.35 -1.29 -1.22 112.91 114.80 1xsi h THR 255 Ca 0.39 -2.95 0.02 0.00 -0.55 0.00 0.00 66.41 63.32 1xsi h THR 255 Cb 0.24 2.63 -0.05 0.00 -1.73 0.00 0.00 68.15 69.23 1xsi h THR 255 CO -0.20 0.74 0.66 -0.09 -0.25 0.00 0.00 175.52 176.38 1xsi h ARG 256 N 0.00 1.29 0.12 4.72 2.43 -1.11 0.24 114.38 122.07 1xsi h ARG 256 Ca -0.07 -0.08 -0.29 0.00 -0.81 0.00 0.00 59.98 58.73 1xsi h ARG 256 Cb 1.72 -0.29 0.03 0.00 -0.42 0.00 0.00 29.97 31.01 1xsi h ARG 256 CO 0.10 0.85 -1.24 0.35 -1.51 0.00 0.00 179.97 178.53 1xsi h PHE 257 N 1.33 0.93 0.00 2.20 3.57 -1.04 -3.40 116.94 120.53 1xsi h PHE 257 Ca 0.37 -0.59 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1xsi h PHE 257 Cb -0.12 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1xsi h PHE 257 CO -0.00 1.43 -0.53 0.25 -2.23 0.00 0.00 178.31 177.23 1xsi n THR 258 N -3.76 0.00 0.00 4.41 -2.24 -0.47 0.06 114.28 112.29 1xsi n THR 258 Ca -0.13 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1xsi n THR 258 Cb 0.99 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.64 4.17 3.75 3.38 0.00 0.82 -4.04 105.19 114.92 1xsi n GLY 259 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.07 4.63 0.25 1.61 1.81 -0.97 -4.57 118.95 118.63 1xsi s ARG 260 Ca 0.00 1.25 -0.31 0.00 -1.72 0.00 0.00 55.73 54.95 1xsi s ARG 260 Cb 0.00 -3.32 -0.14 0.00 -0.45 0.00 0.00 34.95 31.05 1xsi s ARG 260 CO 0.00 0.41 1.31 -2.30 -0.68 0.00 0.00 175.30 174.04 1xsi n PRO 261 N 2.15 1.85 -1.77 3.54 -0.02 -1.25 -4.13 135.00 135.37 1xsi n PRO 261 Ca -0.03 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 1xsi n PRO 261 Cb 0.49 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.35 2.53 -0.42 3.55 0.00 -1.25 -4.12 121.76 121.71 1xsi s ALA 262 Ca 0.66 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 1xsi s ALA 262 Cb -0.67 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1xsi s ALA 262 CO 0.53 -1.58 0.49 -1.17 0.00 0.00 0.00 175.76 174.03 1xsi s LEU 263 N -5.61 4.72 0.67 0.00 2.96 -1.26 -4.71 118.68 115.45 1xsi s LEU 263 Ca 0.61 -0.53 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 1xsi s LEU 263 Cb -0.12 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.10 1xsi s LEU 263 CO 0.52 -0.61 1.12 -2.84 -1.32 0.00 0.00 176.35 173.22 1xsi s PRO 264 N 2.31 2.69 0.62 0.98 0.02 -1.26 -4.89 135.00 135.46 1xsi s PRO 264 Ca 0.15 1.44 -0.18 0.00 0.02 0.00 0.00 61.00 62.43 1xsi s PRO 264 Cb -0.16 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 1xsi s PRO 264 CO 0.15 -1.35 1.20 -1.25 -0.33 0.00 0.00 177.00 175.42 1xsi s PRO 265 N -4.09 2.82 0.28 5.54 0.04 -1.24 -4.93 135.00 133.43 1xsi s PRO 265 Ca 0.68 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 1xsi s PRO 265 Cb -0.22 -1.91 0.39 0.00 0.04 0.00 0.00 34.50 32.80 1xsi s PRO 265 CO 0.42 -1.31 1.87 0.00 0.04 0.00 0.00 177.00 178.02 1xsi h ALA 266 N 0.63 1.26 -0.73 8.56 0.00 -1.89 -1.70 119.26 125.40 1xsi h ALA 266 Ca -0.50 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.47 1xsi h ALA 266 Cb 1.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1xsi h ALA 266 CO 0.54 0.55 0.58 0.11 0.00 0.00 0.00 179.25 181.03 1xsi h TRP 267 N 0.95 0.00 0.00 0.00 5.08 -1.91 -0.60 115.95 119.46 1xsi h TRP 267 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.20 1xsi h TRP 267 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 1xsi h TRP 267 CO 0.01 0.00 0.00 -1.13 -1.28 0.00 0.00 178.44 176.04 1xsi n SER 268 N -4.10 0.29 -0.02 0.11 3.41 -0.64 -1.67 113.62 111.01 1xsi n SER 268 Ca 0.15 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 1xsi n SER 268 Cb 0.85 -0.62 0.65 0.00 -0.26 0.00 0.00 64.21 64.83 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 -1.79 0.00 -0.44 7.33 3.72 -0.23 -4.69 117.46 121.36 1xsi n PHE 269 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1xsi n PHE 269 Cb 0.29 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 1.38 -2.43 3.74 1.37 0.00 -0.67 -4.74 105.19 103.84 1xsi n GLY 270 Ca 0.11 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 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 4.36 -0.15 0.99 2.96 -1.26 -4.23 118.68 121.35 1xsi s LEU 271 Ca 0.00 1.14 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1xsi s LEU 271 Cb 0.00 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1xsi s LEU 271 CO 0.00 0.00 0.15 0.26 -1.32 0.00 0.00 176.35 175.44 1xsi s TRP 272 N 0.30 3.53 0.03 5.38 0.52 0.11 -1.45 118.94 127.37 1xsi s TRP 272 Ca 0.33 0.48 0.09 0.00 0.02 0.00 0.00 56.10 57.02 1xsi s TRP 272 Cb -0.18 -2.04 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 1xsi s TRP 272 CO 0.17 0.57 -0.26 -1.17 0.02 0.00 0.00 176.95 176.27 1xsi s LEU 273 N -0.51 2.15 0.21 2.99 0.20 0.36 -0.96 118.68 123.12 1xsi s LEU 273 Ca 0.13 -0.57 0.08 0.00 0.69 0.00 0.00 54.13 54.46 1xsi s LEU 273 Cb -0.12 -1.29 -0.04 0.00 -0.43 0.00 0.00 46.19 44.31 1xsi s LEU 273 CO 0.02 0.27 0.03 0.28 -0.29 0.00 0.00 176.35 176.66 1xsi s THR 274 N -0.77 3.74 0.01 3.68 -1.32 -0.21 -0.47 115.64 120.29 1xsi s THR 274 Ca 0.11 -1.58 0.29 0.00 -1.21 0.00 0.00 61.69 59.31 1xsi s THR 274 Cb -0.10 -2.94 0.30 0.00 -1.51 0.00 0.00 72.50 68.26 1xsi s THR 274 CO 0.02 -0.23 1.89 0.00 -2.21 0.00 0.00 174.62 174.09 1xsi h THR 275 N 2.14 0.00 -3.09 5.08 1.03 -1.66 -3.45 112.91 112.96 1xsi h THR 275 Ca -0.46 -0.10 0.35 0.00 -0.01 0.00 0.00 66.41 66.19 1xsi h THR 275 Cb 1.22 0.82 -0.13 0.00 -1.07 0.00 0.00 68.15 69.00 1xsi h THR 275 CO 0.59 0.00 -0.76 -1.20 -0.01 0.00 0.00 175.52 174.14 1xsi n SER 276 N -2.56 -8.02 0.00 0.00 7.64 -1.26 -4.80 113.62 104.61 1xsi n SER 276 Ca -0.01 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1xsi n SER 276 Cb 0.11 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 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 -4.14 0.00 -0.77 1.43 7.35 -0.71 -4.54 117.46 116.08 1xsi n PHE 277 Ca -0.03 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.74 1xsi n PHE 277 Cb 0.62 -0.22 0.30 0.00 0.35 0.00 0.00 39.48 40.53 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 -1.55 2.10 -0.57 -2.13 -2.24 0.13 -4.60 114.28 105.41 1xsi n THR 278 Ca 0.00 -1.49 -0.29 0.00 -2.27 0.00 0.00 64.05 59.99 1xsi n THR 278 Cb 0.00 -0.06 0.26 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.31 1.61 0.17 4.28 -4.23 -1.26 -4.97 115.64 108.93 1xsi s THR 279 Ca 0.44 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.77 1xsi s THR 279 Cb 0.32 -2.14 -0.08 0.00 1.34 0.00 0.00 72.50 71.94 1xsi s THR 279 CO 0.15 0.00 0.65 0.20 -0.54 0.00 0.00 174.62 175.08 1xsi s ASN 280 N -3.01 7.00 -0.25 3.99 -0.87 -1.26 -5.05 114.94 115.49 1xsi s ASN 280 Ca 0.69 1.30 -0.16 0.00 -1.57 0.00 0.00 52.86 53.11 1xsi s ASN 280 Cb -0.18 -2.37 0.07 0.00 -0.02 0.00 0.00 41.25 38.75 1xsi s ASN 280 CO 0.60 0.10 0.62 -0.72 -2.57 0.00 0.00 177.10 175.13 1xsi s TYR 281 N -1.42 -0.89 0.01 2.20 1.13 -1.26 -4.99 117.35 112.13 1xsi s TYR 281 Ca 0.39 1.86 0.00 0.00 -1.41 0.00 0.00 57.07 57.91 1xsi s TYR 281 Cb -0.17 0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 41.16 1xsi s TYR 281 CO 0.20 -0.45 0.01 -0.40 -2.51 0.00 0.00 175.55 172.40 1xsi n ASP 282 N 3.93 0.53 -0.30 -0.18 3.85 -1.26 -4.96 116.55 118.15 1xsi n ASP 282 Ca -0.19 -1.07 -0.04 0.00 -0.71 0.00 0.00 54.79 52.77 1xsi n ASP 282 Cb 0.57 0.04 0.07 0.00 -1.35 0.00 0.00 41.12 40.46 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 1.09 -0.31 0.11 4.81 -2.01 -2.31 114.58 115.97 1xsi h GLU 283 Ca -0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1xsi h GLU 283 Cb 0.04 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1xsi h GLU 283 CO 0.01 0.74 0.20 0.00 -0.73 0.00 0.00 179.01 179.24 1xsi h ALA 284 N 1.28 0.39 -0.91 2.92 0.00 -1.96 -0.63 119.26 120.35 1xsi h ALA 284 Ca 0.30 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1xsi h ALA 284 Cb -0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1xsi h ALA 284 CO -0.06 -0.14 0.58 1.15 0.00 0.00 0.00 179.25 180.78 1xsi h THR 285 N 0.41 1.09 0.62 0.00 2.02 -1.86 0.75 112.91 115.95 1xsi h THR 285 Ca 0.11 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1xsi h THR 285 Cb -0.04 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.29 1xsi h THR 285 CO -0.02 0.20 -0.30 0.58 0.37 0.00 0.00 175.52 176.34 1xsi h VAL 286 N 1.09 0.34 -0.69 3.16 2.07 -1.02 -2.18 116.25 119.03 1xsi h VAL 286 Ca 0.38 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.79 1xsi h VAL 286 Cb 0.11 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1xsi h VAL 286 CO -0.15 0.02 0.41 0.78 0.02 0.00 0.00 177.57 178.65 1xsi h ASN 287 N -0.95 0.66 -0.56 0.57 2.35 -0.93 -1.69 115.58 115.02 1xsi h ASN 287 Ca -0.09 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1xsi h ASN 287 Cb 0.68 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.84 1xsi h ASN 287 CO 0.14 0.44 0.09 -1.28 -1.65 0.00 0.00 177.43 175.18 1xsi h SER 288 N 0.79 -0.05 -0.33 5.81 0.87 -0.79 0.45 113.55 120.30 1xsi h SER 288 Ca 0.29 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.99 1xsi h SER 288 Cb 0.08 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1xsi h SER 288 CO -0.14 -0.01 0.12 -0.26 -0.53 0.00 0.00 176.83 176.02 1xsi h PHE 289 N 0.22 0.22 -0.32 2.24 0.04 -0.69 0.17 116.94 118.83 1xsi h PHE 289 Ca 0.29 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.98 1xsi h PHE 289 Cb 0.43 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1xsi h PHE 289 CO -0.26 0.10 -0.17 0.82 -0.60 0.00 0.00 178.31 178.20 1xsi h ILE 290 N 0.27 1.29 -0.27 -0.55 2.04 -0.44 -0.19 117.51 119.66 1xsi h ILE 290 Ca 0.15 -1.28 -0.15 0.00 1.00 0.00 0.00 64.86 64.57 1xsi h ILE 290 Cb 0.11 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1xsi h ILE 290 CO -0.14 0.41 -0.46 0.44 0.00 0.00 0.00 178.15 178.41 1xsi h ASP 291 N 0.43 0.75 -1.01 1.72 3.32 -0.12 -1.94 116.42 119.57 1xsi h ASP 291 Ca 0.07 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.79 1xsi h ASP 291 Cb 0.70 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 1xsi h ASP 291 CO 0.05 1.09 0.66 1.23 -1.72 0.00 0.00 179.24 180.55 1xsi h GLY 292 N 0.95 1.47 0.80 2.75 0.00 -0.44 0.11 103.07 108.72 1xsi h GLY 292 Ca 0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1xsi h GLY 292 CO 0.10 0.44 -0.04 -0.33 0.00 0.00 0.00 176.54 176.70 1xsi h MET 293 N 1.29 -0.11 -0.75 4.80 2.86 -0.89 -2.91 114.93 119.22 1xsi h MET 293 Ca 0.40 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.09 1xsi h MET 293 Cb -0.02 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 1xsi h MET 293 CO -0.12 0.10 0.46 0.00 1.06 0.00 0.00 176.91 178.41 1xsi h ALA 294 N 0.58 1.00 -0.81 6.32 0.00 -0.96 -0.06 119.26 125.32 1xsi h ALA 294 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xsi h ALA 294 Cb 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1xsi h ALA 294 CO 0.02 0.20 0.39 0.93 0.00 0.00 0.00 179.25 180.80 1xsi h GLU 295 N 0.86 1.16 -0.19 0.00 5.08 -1.00 -0.54 114.58 119.95 1xsi h GLU 295 Ca 0.32 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xsi h GLU 295 Cb 0.10 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xsi h GLU 295 CO -0.14 0.89 0.00 0.54 -1.00 0.00 0.00 179.01 179.29 1xsi n ARG 296 N -4.31 1.47 -3.59 2.33 1.74 -1.09 -4.92 116.66 108.29 1xsi n ARG 296 Ca 0.08 -0.73 -0.22 0.00 -0.77 0.00 0.00 57.85 56.20 1xsi n ARG 296 Cb 0.14 -1.19 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.08 -4.35 -4.21 0.55 3.02 -0.21 -4.99 115.26 105.15 1xsi n ASN 297 Ca 0.08 -0.62 -0.39 0.00 -0.03 0.00 0.00 54.58 53.62 1xsi n ASN 297 Cb 0.18 -4.86 -0.10 0.00 -0.61 0.00 0.00 39.78 34.39 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 -6.95 5.21 0.62 3.41 1.43 -0.07 -4.93 118.68 117.41 1xsi s LEU 298 Ca 0.35 -1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 51.55 1xsi s LEU 298 Cb -0.16 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1xsi s LEU 298 CO 0.75 -0.56 1.11 -2.65 0.23 0.00 0.00 176.35 175.23 1xsi n PRO 299 N 4.81 1.02 -3.70 1.29 -0.02 -1.26 -4.28 135.00 132.86 1xsi n PRO 299 Ca -0.08 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1xsi n PRO 299 Cb 0.42 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1xsi n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsi s LEU 300 N -2.97 0.01 0.00 2.45 1.98 -1.26 -4.82 118.68 114.08 1xsi s LEU 300 Ca 0.78 0.97 0.00 0.00 -2.89 0.00 0.00 54.13 52.99 1xsi s LEU 300 Cb -0.40 1.58 0.00 0.00 0.66 0.00 0.00 46.19 48.02 1xsi s LEU 300 CO 0.45 -0.18 0.00 1.41 -1.89 0.00 0.00 176.35 176.14 1xsi n HIS 301 N 3.46 0.00 -4.35 5.38 8.25 -0.69 -4.81 115.22 122.45 1xsi n HIS 301 Ca -0.17 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.09 1xsi n HIS 301 Cb 0.56 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.52 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 0.71 -0.08 1.59 1.01 -0.53 -0.64 120.40 120.57 1xsi s VAL 302 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1xsi s VAL 302 Cb 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 1xsi s VAL 302 CO 0.00 0.21 -0.23 0.12 0.00 0.00 0.00 175.10 175.21 1xsi s PHE 303 N 0.01 2.38 -0.14 5.22 5.36 0.38 -0.49 117.98 130.69 1xsi s PHE 303 Ca 0.00 -0.90 -0.01 0.00 -0.96 0.00 0.00 56.93 55.06 1xsi s PHE 303 Cb -0.06 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 41.01 1xsi s PHE 303 CO -0.00 -0.35 -0.12 -1.58 -1.46 0.00 0.00 175.22 171.71 1xsi s HIS 304 N 0.25 2.83 -0.31 10.12 5.65 0.38 -1.42 115.29 132.80 1xsi s HIS 304 Ca -0.15 -0.68 -0.15 0.00 0.25 0.00 0.00 55.06 54.34 1xsi s HIS 304 Cb -0.17 -1.87 -0.03 0.00 -1.18 0.00 0.00 32.58 29.33 1xsi s HIS 304 CO 0.07 -0.25 0.35 -0.06 -0.65 0.00 0.00 174.74 174.21 1xsi s PHE 305 N 0.47 3.22 0.00 3.88 0.08 -0.48 -1.74 117.98 123.41 1xsi s PHE 305 Ca -0.09 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.14 1xsi s PHE 305 Cb -0.16 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1xsi s PHE 305 CO 0.04 -0.32 0.00 -3.47 -0.10 0.00 0.00 175.22 171.37 1xsi n ASP 306 N 5.34 0.00 -0.13 1.36 2.03 -1.26 -1.32 116.55 122.57 1xsi n ASP 306 Ca -0.09 -0.40 0.11 0.00 0.52 0.00 0.00 54.79 54.93 1xsi n ASP 306 Cb 0.50 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.36 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 -4.48 0.00 0.27 0.00 3.72 -1.26 -1.73 117.46 113.98 1xsi n PHE 308 Ca 0.11 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.67 1xsi n PHE 308 Cb 0.36 -0.02 0.74 0.00 -0.94 0.00 0.00 39.48 39.62 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 -2.00 1.38 5.08 -1.51 -3.43 115.95 115.47 1xsi h TRP 309 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 1xsi h TRP 309 Cb 0.12 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 1xsi h TRP 309 CO 0.00 0.08 -0.42 -1.64 -1.28 0.00 0.00 178.44 175.18 1xsi s MET 310 N -3.89 3.12 0.36 0.12 -1.94 -0.70 -0.93 119.30 115.44 1xsi s MET 310 Ca -0.01 -0.99 -0.28 0.00 -1.71 0.00 0.00 55.69 52.70 1xsi s MET 310 Cb 0.11 -2.74 -0.10 0.00 2.01 0.00 0.00 34.83 34.11 1xsi s MET 310 CO 0.55 0.24 1.37 0.15 -0.01 0.00 0.00 175.02 177.33 1xsi s LYS 311 N -4.02 4.17 0.40 2.03 1.02 -1.26 -4.74 119.74 117.35 1xsi s LYS 311 Ca 0.39 2.34 -0.26 0.00 0.02 0.00 0.00 55.97 58.45 1xsi s LYS 311 Cb -0.08 -2.96 -0.11 0.00 -0.52 0.00 0.00 37.83 34.16 1xsi s LYS 311 CO 0.29 -0.39 1.24 0.00 -0.92 0.00 0.00 175.35 175.57 1xsi n ALA 312 N 0.52 1.15 -0.86 5.17 0.00 -1.26 -2.22 120.51 123.02 1xsi n ALA 312 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1xsi n ALA 312 Cb 0.41 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 -0.10 0.00 -0.22 0.00 3.72 -1.26 -4.78 117.46 114.82 1xsi n PHE 313 Ca 0.06 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.51 1xsi n PHE 313 Cb 0.39 -0.94 0.11 0.00 -0.94 0.00 0.00 39.48 38.09 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 -1.45 2.84 -1.96 -1.08 6.02 -0.94 -3.79 117.38 117.02 1xsi n GLN 314 Ca 0.00 -1.95 -0.40 0.00 -0.01 0.00 0.00 57.00 54.64 1xsi n GLN 314 Cb 0.13 -1.23 -0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.24 2.76 -0.52 1.08 0.51 -1.25 -2.21 118.94 118.07 1xsi s TRP 315 Ca 0.17 1.33 0.00 0.00 -2.12 0.00 0.00 56.10 55.48 1xsi s TRP 315 Cb 0.10 -3.80 0.00 0.00 -0.81 0.00 0.00 33.47 28.96 1xsi s TRP 315 CO 0.09 -2.40 0.00 0.00 -0.51 0.00 0.00 176.95 174.13 1xsi n ASP 317 N 0.86 1.58 0.00 0.00 5.75 -0.94 -4.71 116.55 119.08 1xsi n ASP 317 Ca -0.07 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1xsi n ASP 317 Cb 0.55 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 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 -0.14 0.00 -3.41 2.11 3.72 -1.26 -4.98 117.46 113.50 1xsi n PHE 318 Ca 0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.07 1xsi n PHE 318 Cb 0.32 -0.92 -0.09 0.00 -0.94 0.00 0.00 39.48 37.86 1xsi n PHE 318 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1xsi s GLU 319 N -0.91 4.03 0.05 -1.08 2.56 -1.26 -5.04 118.70 117.04 1xsi s GLU 319 Ca 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 54.97 54.65 1xsi s GLU 319 Cb 0.00 -3.64 -0.13 0.00 2.00 0.00 0.00 34.13 32.35 1xsi s GLU 319 CO 0.00 -0.25 1.67 0.91 -0.56 0.00 0.00 175.26 177.03 1xsi n TRP 320 N 5.23 2.21 -1.57 5.30 7.02 -1.26 -4.03 117.44 130.35 1xsi n TRP 320 Ca -0.09 0.22 -0.46 0.00 -1.02 0.00 0.00 57.50 56.16 1xsi n TRP 320 Cb 0.51 -2.56 -0.04 0.00 -2.42 0.00 0.00 31.31 26.79 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 4.51 3.03 0.00 -0.99 -0.08 -0.10 -4.84 116.55 118.09 1xsi n ASP 321 Ca 0.19 0.40 0.10 0.00 -1.51 0.00 0.00 54.79 53.97 1xsi n ASP 321 Cb 0.27 -1.45 0.51 0.00 2.34 0.00 0.00 41.12 42.80 1xsi n ASP 321 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1xsi n PRO 322 N 8.27 0.31 0.00 -0.67 -0.02 -1.26 -0.02 135.00 141.61 1xsi n PRO 322 Ca 0.32 0.09 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1xsi n PRO 322 Cb 0.37 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 1xsi n PRO 322 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xsi n LEU 323 N -1.26 1.23 -0.03 2.45 4.77 -1.26 -3.65 117.00 119.24 1xsi n LEU 323 Ca 0.10 -0.63 -0.04 0.00 -0.03 0.00 0.00 56.01 55.41 1xsi n LEU 323 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1xsi n LEU 323 CO 0.15 0.26 -0.70 0.41 -1.33 0.00 0.00 177.39 176.18 1xsi n THR 324 N -0.75 0.38 -3.22 -5.08 -1.04 -1.07 -4.86 114.28 98.65 1xsi n THR 324 Ca 0.05 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.05 61.63 1xsi n THR 324 Cb 0.31 -0.80 -0.07 0.00 -1.82 0.00 0.00 70.33 67.94 1xsi n THR 324 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1xsi n PHE 325 N -2.43 0.15 0.20 -1.42 3.72 0.97 -3.90 117.46 114.76 1xsi n PHE 325 Ca -0.10 -3.64 0.08 0.00 -0.05 0.00 0.00 57.45 53.73 1xsi n PHE 325 Cb 0.65 -0.38 0.61 0.00 -0.94 0.00 0.00 39.48 39.42 1xsi n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xsi h PRO 326 N 3.97 0.09 -2.49 -1.08 0.11 -1.74 -3.31 132.00 127.55 1xsi h PRO 326 Ca 0.09 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.60 1xsi h PRO 326 Cb 0.86 -0.02 -0.39 0.00 0.11 0.00 0.00 31.00 31.56 1xsi h PRO 326 CO 0.51 0.06 -0.89 -3.47 -0.21 0.00 0.00 178.00 174.00 1xsi n ASP 327 N -4.52 0.43 -0.12 -2.05 2.03 -1.26 -5.01 116.55 106.04 1xsi n ASP 327 Ca -0.01 -2.60 -0.09 0.00 0.52 0.00 0.00 54.79 52.61 1xsi n ASP 327 Cb 0.11 -0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 39.90 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 5.43 0.53 -0.35 -0.67 0.13 -1.99 -0.13 132.00 134.96 1xsi h PRO 328 Ca 0.23 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1xsi h PRO 328 Cb 0.87 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1xsi h PRO 328 CO 0.46 0.44 0.20 0.93 -0.23 0.00 0.00 178.00 179.80 1xsi h GLU 329 N 0.48 0.48 -0.45 0.86 3.07 -1.95 -0.93 114.58 116.14 1xsi h GLU 329 Ca 0.13 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1xsi h GLU 329 Cb 0.06 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1xsi h GLU 329 CO -0.02 0.37 -0.03 0.78 -1.40 0.00 0.00 179.01 178.71 1xsi h GLY 330 N 0.45 0.89 1.06 -3.84 0.00 -1.90 -0.50 103.07 99.22 1xsi h GLY 330 Ca 0.12 -0.68 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1xsi h GLY 330 CO -0.02 0.63 0.57 1.98 0.00 0.00 0.00 176.54 179.69 1xsi h MET 331 N 0.66 1.07 -0.06 4.80 1.85 -0.80 -2.63 114.93 119.82 1xsi h MET 331 Ca 0.12 -0.06 -0.23 0.00 -0.61 0.00 0.00 59.70 58.92 1xsi h MET 331 Cb 0.55 -0.24 0.01 0.00 0.43 0.00 0.00 31.60 32.35 1xsi h MET 331 CO 0.03 0.71 -0.88 0.82 -0.40 0.00 0.00 176.91 177.19 1xsi h ILE 332 N 1.10 1.33 -0.56 1.77 2.04 -0.45 -2.35 117.51 120.38 1xsi h ILE 332 Ca 0.34 -2.19 0.05 0.00 1.00 0.00 0.00 64.86 64.06 1xsi h ILE 332 Cb -0.01 2.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1xsi h ILE 332 CO -0.09 0.67 0.29 0.03 0.00 0.00 0.00 178.15 179.05 1xsi h ARG 333 N 0.38 0.54 -0.92 2.37 3.08 -0.96 -0.97 114.38 117.90 1xsi h ARG 333 Ca -0.07 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.04 1xsi h ARG 333 Cb 1.50 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 31.36 1xsi h ARG 333 CO 0.17 0.35 0.59 0.00 -1.07 0.00 0.00 179.97 180.02 1xsi h ARG 334 N 0.55 0.92 -0.35 0.04 3.08 -1.17 0.05 114.38 117.51 1xsi h ARG 334 Ca 0.25 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1xsi h ARG 334 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1xsi h ARG 334 CO -0.17 0.61 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.01 1xsi h LEU 335 N 0.95 0.83 -1.10 3.04 3.38 -0.77 -2.42 115.31 119.22 1xsi h LEU 335 Ca 0.43 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1xsi h LEU 335 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xsi h LEU 335 CO -0.19 1.10 0.06 0.50 0.09 0.00 0.00 178.44 180.01 1xsi h LYS 336 N 0.58 0.70 0.00 1.13 3.64 -0.70 -1.09 116.57 120.82 1xsi h LYS 336 Ca 0.07 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xsi h LYS 336 Cb 0.83 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1xsi h LYS 336 CO 0.07 0.67 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1xsi n ALA 337 N -2.47 1.84 -0.57 5.00 0.00 -0.04 -1.15 120.51 123.12 1xsi n ALA 337 Ca 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1xsi n ALA 337 Cb 0.24 -1.32 0.34 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.67 4.14 -0.85 0.00 5.02 -0.44 -4.94 118.16 119.43 1xsi n LYS 338 Ca 0.04 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.64 1xsi n LYS 338 Cb 0.23 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 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 0.68 0.54 3.87 0.72 0.00 -0.30 -5.04 105.19 105.65 1xsi n GLY 339 Ca 0.24 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 4.22 0.36 0.99 1.43 -1.03 -4.79 118.68 119.86 1xsi s LEU 340 Ca 0.00 0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1xsi s LEU 340 Cb 0.00 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 1xsi s LEU 340 CO 0.00 0.25 0.70 -0.54 0.23 0.00 0.00 176.35 176.98 1xsi s LYS 341 N -1.99 3.74 -0.11 1.70 -0.14 0.18 -4.16 119.74 118.96 1xsi s LYS 341 Ca 0.27 0.33 0.03 0.00 -1.36 0.00 0.00 55.97 55.24 1xsi s LYS 341 Cb -0.12 -2.48 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1xsi s LYS 341 CO 0.19 0.05 -0.22 0.42 -0.76 0.00 0.00 175.35 175.04 1xsi s ILE 342 N -2.26 2.24 0.10 2.17 1.09 -1.26 -0.47 121.20 122.80 1xsi s ILE 342 Ca 0.49 -0.95 0.09 0.00 -1.10 0.00 0.00 60.65 59.18 1xsi s ILE 342 Cb -0.10 -1.88 -0.04 0.00 -1.06 0.00 0.00 42.46 39.38 1xsi s ILE 342 CO 0.30 0.55 -0.18 0.00 -0.10 0.00 0.00 174.94 175.51 1xsi s VAL 344 N -1.09 0.73 0.23 0.00 -7.23 -1.07 -1.38 120.40 110.57 1xsi s VAL 344 Ca 0.17 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 1xsi s VAL 344 Cb -0.11 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 1xsi s VAL 344 CO 0.09 -0.40 1.22 0.86 -0.31 0.00 0.00 175.10 176.56 1xsi s TRP 345 N -1.63 3.36 0.21 2.82 -0.00 -0.44 -1.43 118.94 121.83 1xsi s TRP 345 Ca -0.05 1.43 0.01 0.00 -0.00 0.00 0.00 56.10 57.49 1xsi s TRP 345 Cb -0.08 -3.48 -0.05 0.00 -0.00 0.00 0.00 33.47 29.86 1xsi s TRP 345 CO 0.00 -1.33 0.07 0.96 -0.00 0.00 0.00 176.95 176.65 1xsi s ILE 346 N -0.40 0.47 0.33 5.86 -4.36 -0.58 -4.88 121.20 117.63 1xsi s ILE 346 Ca 0.51 -1.98 -0.08 0.00 -0.26 0.00 0.00 60.65 58.84 1xsi s ILE 346 Cb -0.34 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 40.99 1xsi s ILE 346 CO 0.40 -0.21 0.55 0.54 0.24 0.00 0.00 174.94 176.47 1xsi s ASN 347 N -3.22 0.46 -0.38 4.36 4.22 -1.26 -1.78 114.94 117.34 1xsi s ASN 347 Ca 0.32 -1.27 0.07 0.00 -2.14 0.00 0.00 52.86 49.84 1xsi s ASN 347 Cb 0.07 0.69 0.72 0.00 1.28 0.00 0.00 41.25 44.01 1xsi s ASN 347 CO 0.09 -1.35 1.87 -0.81 -2.04 0.00 0.00 177.10 174.86 1xsi n PRO 348 N -0.51 3.08 -4.44 3.55 -0.04 -1.26 -4.80 135.00 130.58 1xsi n PRO 348 Ca -0.02 -3.06 -0.22 0.00 -0.04 0.00 0.00 63.50 60.16 1xsi n PRO 348 Cb 0.61 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 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 -3.14 1.99 -0.12 0.54 2.02 -1.26 -1.94 117.35 115.44 1xsi s TYR 349 Ca 0.56 -0.67 -0.05 0.00 -0.37 0.00 0.00 57.07 56.54 1xsi s TYR 349 Cb 0.46 -1.12 0.05 0.00 -0.40 0.00 0.00 41.96 40.95 1xsi s TYR 349 CO 0.12 0.32 0.26 -1.50 -1.57 0.00 0.00 175.55 173.19 1xsi s ILE 350 N -2.96 -0.18 0.56 2.71 2.07 -0.44 -3.43 121.20 119.53 1xsi s ILE 350 Ca 0.30 0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 59.56 1xsi s ILE 350 Cb 0.03 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 1xsi s ILE 350 CO 0.12 0.08 1.05 -0.83 -1.91 0.00 0.00 174.94 173.46 1xsi s GLY 351 N 1.72 2.27 0.36 1.50 0.00 -0.81 -1.07 107.32 111.28 1xsi s GLY 351 Ca -0.05 0.48 0.09 0.00 0.00 0.00 0.00 44.72 45.24 1xsi s GLY 351 CO -0.09 0.80 1.84 -1.61 0.00 0.00 0.00 173.10 174.03 1xsi h GLN 352 N 0.82 0.19 -0.10 2.90 4.15 -1.48 -2.68 115.11 118.91 1xsi h GLN 352 Ca -0.48 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 58.91 1xsi h GLN 352 Cb 1.22 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1xsi h GLN 352 CO 0.58 0.44 0.13 -0.22 -1.93 0.00 0.00 178.83 177.83 1xsi h LYS 353 N 0.17 0.00 -6.64 1.69 3.64 -1.79 -3.43 116.57 110.21 1xsi h LYS 353 Ca 0.03 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.88 1xsi h LYS 353 Cb 0.56 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1xsi h LYS 353 CO 0.04 0.00 0.82 0.45 -2.27 0.00 0.00 179.45 178.49 1xsi s SER 354 N -5.77 6.64 0.59 4.20 0.15 -1.01 -4.84 113.70 113.66 1xsi s SER 354 Ca -0.05 2.59 0.29 0.00 0.70 0.00 0.00 55.95 59.48 1xsi s SER 354 Cb 0.15 -2.60 1.51 0.00 -1.71 0.00 0.00 66.02 63.37 1xsi s SER 354 CO 0.52 -0.76 1.93 -0.65 1.20 0.00 0.00 173.24 175.48 1xsi h PRO 355 N 6.24 0.00 0.00 5.44 0.11 -1.91 -1.17 132.00 140.72 1xsi h PRO 355 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1xsi h PRO 355 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xsi h PRO 355 CO 0.86 0.00 -0.14 0.28 -0.21 0.00 0.00 178.00 178.79 1xsi h VAL 356 N 0.00 0.31 -0.51 3.15 2.07 -1.92 -3.34 116.25 116.01 1xsi h VAL 356 Ca 0.18 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1xsi h VAL 356 Cb 1.03 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1xsi h VAL 356 CO -0.00 0.14 0.26 0.15 0.02 0.00 0.00 177.57 178.14 1xsi h PHE 357 N 0.00 0.48 -0.76 1.57 3.04 -1.49 -1.61 116.94 118.18 1xsi h PHE 357 Ca -0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 1xsi h PHE 357 Cb 0.80 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 1xsi h PHE 357 CO 0.00 0.24 0.25 -0.22 -2.02 0.00 0.00 178.31 176.56 1xsi h LYS 358 N 0.51 1.16 -0.92 1.11 3.64 -1.76 0.72 116.57 121.04 1xsi h LYS 358 Ca 0.22 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xsi h LYS 358 Cb 0.11 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1xsi h LYS 358 CO -0.15 0.98 0.56 1.49 -2.27 0.00 0.00 179.45 180.06 1xsi h GLU 359 N 1.12 1.25 -0.03 1.90 4.81 -1.59 -0.68 114.58 121.37 1xsi h GLU 359 Ca 0.25 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.15 1xsi h GLU 359 Cb 0.29 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1xsi h GLU 359 CO -0.01 0.87 -0.88 -0.07 -0.73 0.00 0.00 179.01 178.20 1xsi h LEU 360 N 1.27 0.52 -0.42 1.64 3.38 -0.72 -1.88 115.31 119.11 1xsi h LEU 360 Ca 0.33 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1xsi h LEU 360 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1xsi h LEU 360 CO -0.06 1.17 0.11 -0.61 0.09 0.00 0.00 178.44 179.14 1xsi h GLN 361 N 0.25 0.66 -0.73 1.13 4.15 -0.71 -0.25 115.11 119.61 1xsi h GLN 361 Ca -0.06 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.14 1xsi h GLN 361 Cb 1.49 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 29.06 1xsi h GLN 361 CO 0.15 0.67 0.20 0.93 -1.93 0.00 0.00 178.83 178.85 1xsi h GLU 362 N 0.53 1.14 0.00 1.69 5.08 -1.02 -2.50 114.58 119.50 1xsi h GLU 362 Ca 0.13 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xsi h GLU 362 Cb 0.30 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xsi h GLU 362 CO -0.00 0.98 0.00 1.63 -1.00 0.00 0.00 179.01 180.62 1xsi n LYS 363 N -4.24 0.13 -2.11 2.33 5.02 -0.72 -4.92 118.16 113.65 1xsi n LYS 363 Ca 0.06 0.20 -0.03 0.00 -2.02 0.00 0.00 58.31 56.52 1xsi n LYS 363 Cb 0.24 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1xsi n LYS 363 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsi n GLY 364 N 0.89 0.29 0.45 0.72 0.00 -0.69 -4.96 105.19 101.89 1xsi n GLY 364 Ca 0.05 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.90 0.00 -3.94 1.61 4.01 -0.19 -4.93 117.16 109.82 1xsi n TYR 365 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.37 1xsi n TYR 365 Cb 0.53 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 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 -2.33 4.29 0.09 7.72 1.43 -1.25 -1.88 118.68 126.75 1xsi s LEU 366 Ca 0.26 0.31 -0.35 0.00 -1.03 0.00 0.00 54.13 53.32 1xsi s LEU 366 Cb 0.19 -2.55 -0.15 0.00 0.03 0.00 0.00 46.19 43.71 1xsi s LEU 366 CO 0.47 0.27 1.51 -0.11 0.23 0.00 0.00 176.35 178.71 1xsi n LEU 367 N 0.99 2.48 -4.72 1.79 7.94 0.18 -4.75 117.00 120.91 1xsi n LEU 367 Ca -0.11 1.09 -0.25 0.00 -1.11 0.00 0.00 56.01 55.62 1xsi n LEU 367 Cb 0.53 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 43.10 1xsi n LEU 367 CO 0.43 -0.60 -0.28 -0.54 -1.11 0.00 0.00 177.39 175.29 1xsi s LYS 368 N 1.07 2.60 0.63 1.96 1.02 -1.26 -2.27 119.74 123.50 1xsi s LYS 368 Ca 0.83 -1.07 -0.12 0.00 0.02 0.00 0.00 55.97 55.63 1xsi s LYS 368 Cb -0.81 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 1xsi s LYS 368 CO 0.44 0.45 1.04 1.03 -0.92 0.00 0.00 175.35 177.38 1xsi s ARG 369 N -3.19 3.38 0.53 1.68 0.52 0.10 -1.34 118.95 120.63 1xsi s ARG 369 Ca 0.30 0.88 0.24 0.00 -0.52 0.00 0.00 55.73 56.62 1xsi s ARG 369 Cb -0.09 -2.05 1.38 0.00 0.52 0.00 0.00 34.95 34.71 1xsi s ARG 369 CO 0.21 -0.75 2.02 -1.35 0.02 0.00 0.00 175.30 175.45 1xsi h PRO 370 N -0.28 0.00 0.00 3.54 0.11 -1.85 0.48 132.00 134.00 1xsi h PRO 370 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xsi h PRO 370 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xsi h PRO 370 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 1xsi n ASP 371 N -4.40 0.00 0.00 -2.05 5.75 -1.26 -4.90 116.55 109.70 1xsi n ASP 371 Ca 0.08 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1xsi n ASP 371 Cb 0.54 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.54 1.17 3.88 6.12 0.00 0.16 -5.08 105.19 111.97 1xsi n GLY 372 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.79 5.60 0.32 1.61 1.04 -1.26 -4.75 113.70 114.47 1xsi s SER 373 Ca 0.00 1.22 -0.28 0.00 0.48 0.00 0.00 55.95 57.37 1xsi s SER 373 Cb 0.00 -2.08 -0.10 0.00 0.10 0.00 0.00 66.02 63.95 1xsi s SER 373 CO 0.00 -1.25 1.18 -0.76 0.98 0.00 0.00 173.24 173.38 1xsi s LEU 374 N -5.34 4.45 -0.04 2.42 1.43 -1.26 0.03 118.68 120.37 1xsi s LEU 374 Ca 0.57 2.42 -0.30 0.00 -1.03 0.00 0.00 54.13 55.79 1xsi s LEU 374 Cb -0.11 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1xsi s LEU 374 CO 0.52 -0.36 1.22 0.86 0.23 0.00 0.00 176.35 178.82 1xsi s TRP 375 N -1.21 3.19 -0.02 0.29 -0.00 -0.96 -4.63 118.94 115.60 1xsi s TRP 375 Ca 0.48 1.19 -0.08 0.00 -0.00 0.00 0.00 56.10 57.69 1xsi s TRP 375 Cb -0.34 -3.44 0.01 0.00 -0.00 0.00 0.00 33.47 29.69 1xsi s TRP 375 CO 0.44 -1.41 0.18 -0.65 -0.00 0.00 0.00 176.95 175.51 1xsi s GLN 376 N 2.09 0.45 0.18 5.86 -0.21 -1.26 -4.44 119.66 122.32 1xsi s GLN 376 Ca 0.57 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.79 1xsi s GLN 376 Cb -0.26 0.19 -0.01 0.00 1.00 0.00 0.00 33.01 33.94 1xsi s GLN 376 CO 0.23 -0.10 0.19 -2.67 -2.12 0.00 0.00 175.29 170.82 1xsi n TRP 377 N 1.82 -0.61 -0.24 0.91 2.14 -1.15 -4.95 117.44 115.37 1xsi n TRP 377 Ca -0.20 -1.39 0.07 0.00 2.07 0.00 0.00 57.50 58.04 1xsi n TRP 377 Cb 0.56 0.20 0.18 0.00 -0.81 0.00 0.00 31.31 31.45 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 -2.16 3.12 -4.75 -0.67 8.00 -1.26 -0.45 116.55 118.38 1xsi n ASP 378 Ca 0.03 -2.05 -0.41 0.00 0.71 0.00 0.00 54.79 53.07 1xsi n ASP 378 Cb 0.31 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.09 4.49 0.00 -1.24 1.02 -1.26 -4.31 119.74 117.35 1xsi s LYS 379 Ca 0.28 1.95 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1xsi s LYS 379 Cb 0.15 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 1xsi s LYS 379 CO 0.18 -0.05 0.00 1.87 -0.92 0.00 0.00 175.35 176.43 1xsi n TRP 380 N 1.81 0.00 -4.23 3.18 -0.00 -1.26 -4.76 117.44 112.18 1xsi n TRP 380 Ca 0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.31 1xsi n TRP 380 Cb 0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.63 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 0.98 0.23 5.87 -1.52 -1.26 -5.01 119.66 118.95 1xsi s GLN 381 Ca 0.00 -1.07 -0.31 0.00 -1.95 0.00 0.00 55.36 52.03 1xsi s GLN 381 Cb 0.00 -1.11 -0.11 0.00 -0.22 0.00 0.00 33.01 31.57 1xsi s GLN 381 CO 0.00 0.25 1.56 -2.14 -0.25 0.00 0.00 175.29 174.72 1xsi s PRO 382 N -1.86 4.19 -1.49 2.91 0.02 -1.26 -2.87 135.00 134.63 1xsi s PRO 382 Ca 0.03 2.44 -0.06 0.00 0.02 0.00 0.00 61.00 63.42 1xsi s PRO 382 Cb -0.10 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.35 1xsi s PRO 382 CO 0.03 -0.58 0.66 0.41 -0.33 0.00 0.00 177.00 177.19 1xsi n GLY 383 N 2.96 -0.52 3.75 0.52 0.00 -1.14 -2.23 105.19 108.53 1xsi n GLY 383 Ca 0.11 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1xsi n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsi s LEU 384 N -6.75 4.37 0.40 0.99 0.20 0.41 -3.50 118.68 114.80 1xsi s LEU 384 Ca 0.36 2.78 0.07 0.00 0.69 0.00 0.00 54.13 58.04 1xsi s LEU 384 Cb -0.17 -3.63 -0.08 0.00 -0.43 0.00 0.00 46.19 41.88 1xsi s LEU 384 CO 0.45 -0.77 0.00 0.00 -0.29 0.00 0.00 176.35 175.74 1xsi s ALA 385 N -0.14 3.12 -0.07 5.97 0.00 -0.23 -2.92 121.76 127.49 1xsi s ALA 385 Ca 0.60 -2.28 0.05 0.00 0.00 0.00 0.00 51.96 50.33 1xsi s ALA 385 Cb -0.44 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1xsi s ALA 385 CO 0.47 -0.10 -0.24 0.42 0.00 0.00 0.00 175.76 176.30 1xsi s ILE 386 N -2.72 2.00 0.07 0.00 1.01 -1.26 -1.32 121.20 118.98 1xsi s ILE 386 Ca 0.35 -1.02 -0.31 0.00 0.00 0.00 0.00 60.65 59.67 1xsi s ILE 386 Cb 0.09 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.77 1xsi s ILE 386 CO 0.18 0.55 1.56 -0.31 0.00 0.00 0.00 174.94 176.92 1xsi s TYR 387 N 0.04 2.68 -0.76 3.97 1.51 -0.82 0.50 117.35 124.46 1xsi s TYR 387 Ca -0.09 0.53 -0.19 0.00 -1.01 0.00 0.00 57.07 56.31 1xsi s TYR 387 Cb -0.15 -3.86 0.12 0.00 -0.11 0.00 0.00 41.96 37.95 1xsi s TYR 387 CO 0.05 -3.34 0.94 0.34 -1.11 0.00 0.00 175.55 172.44 1xsi s ASP 388 N 2.01 6.41 0.00 2.29 -1.08 -0.79 -4.75 116.67 120.76 1xsi s ASP 388 Ca 0.70 -1.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.05 1xsi s ASP 388 Cb -0.38 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 1xsi s ASP 388 CO 0.31 -1.13 0.82 0.49 0.52 0.00 0.00 175.17 176.18 1xsi n PHE 389 N 6.53 0.00 1.07 -5.34 0.99 -1.26 -1.57 117.46 117.88 1xsi n PHE 389 Ca 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.64 1xsi n PHE 389 Cb 0.46 -0.01 0.11 0.00 -1.00 0.00 0.00 39.48 39.05 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 -0.43 0.00 -3.13 4.37 -2.24 -1.26 -4.82 114.28 106.76 1xsi n THR 390 Ca 0.00 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1xsi n THR 390 Cb 0.03 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.60 6.34 0.37 3.42 3.84 -0.61 -4.16 114.94 121.53 1xsi s ASN 391 Ca 0.18 -0.22 0.08 0.00 0.21 0.00 0.00 52.86 53.12 1xsi s ASN 391 Cb 0.18 -2.31 0.81 0.00 -0.55 0.00 0.00 41.25 39.38 1xsi s ASN 391 CO 0.61 -0.70 1.92 -0.65 -2.79 0.00 0.00 177.10 175.49 1xsi h PRO 392 N 8.74 0.67 -0.05 0.43 0.11 -1.87 -1.45 132.00 138.56 1xsi h PRO 392 Ca -0.26 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.57 1xsi h PRO 392 Cb 1.10 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.08 1xsi h PRO 392 CO 0.86 0.44 -0.93 -0.44 -0.21 0.00 0.00 178.00 177.73 1xsi h ASP 393 N 0.69 0.85 -0.91 -2.05 3.32 -1.94 -2.34 116.42 114.04 1xsi h ASP 393 Ca 0.37 -0.63 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1xsi h ASP 393 Cb 0.51 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 1xsi h ASP 393 CO -0.14 1.43 0.58 0.00 -1.72 0.00 0.00 179.24 179.39 1xsi h ALA 394 N 0.53 1.23 -0.36 3.45 0.00 -1.67 0.18 119.26 122.63 1xsi h ALA 394 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xsi h ALA 394 Cb 1.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1xsi h ALA 394 CO 0.18 0.39 0.20 0.00 0.00 0.00 0.00 179.25 180.02 1xsi h LYS 396 N 0.46 -0.02 -0.64 0.00 3.64 -1.16 0.20 116.57 119.05 1xsi h LYS 396 Ca 0.13 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1xsi h LYS 396 Cb 0.06 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1xsi h LYS 396 CO -0.02 -0.02 0.32 2.35 -2.27 0.00 0.00 179.45 179.82 1xsi h TRP 397 N -0.02 0.58 -0.14 1.91 7.01 -0.65 0.23 115.95 124.86 1xsi h TRP 397 Ca 0.06 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 60.90 1xsi h TRP 397 Cb 0.12 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1xsi h TRP 397 CO -0.17 0.25 -0.69 -0.92 -2.79 0.00 0.00 178.44 174.11 1xsi h TYR 398 N 0.58 0.79 -0.50 2.65 3.20 -1.13 -2.49 116.97 120.08 1xsi h TYR 398 Ca 0.30 -0.33 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 1xsi h TYR 398 Cb 0.25 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1xsi h TYR 398 CO -0.10 1.11 0.01 0.00 -1.64 0.00 0.00 178.16 177.54 1xsi h ALA 399 N 0.80 1.08 -0.59 1.82 0.00 0.02 -1.78 119.26 120.61 1xsi h ALA 399 Ca -0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1xsi h ALA 399 Cb 1.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1xsi h ALA 399 CO 0.13 0.58 0.06 -0.44 0.00 0.00 0.00 179.25 179.58 1xsi h ASP 400 N 0.77 0.93 -0.70 0.00 3.32 -0.39 0.13 116.42 120.48 1xsi h ASP 400 Ca 0.15 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1xsi h ASP 400 Cb 0.46 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1xsi h ASP 400 CO 0.02 0.96 0.46 0.11 -1.72 0.00 0.00 179.24 179.07 1xsi h LYS 401 N 0.91 0.90 -0.37 3.56 1.79 -1.18 0.61 116.57 122.78 1xsi h LYS 401 Ca 0.18 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 1xsi h LYS 401 Cb 0.45 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1xsi h LYS 401 CO 0.02 0.59 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.66 1xsi h LEU 402 N 0.92 0.86 -0.93 2.94 3.38 -0.65 -2.24 115.31 119.60 1xsi h LEU 402 Ca 0.26 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.90 1xsi h LEU 402 Cb -0.07 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.36 1xsi h LEU 402 CO -0.07 1.11 0.57 0.11 0.09 0.00 0.00 178.44 180.25 1xsi h LYS 403 N 0.63 0.92 -0.73 1.13 1.57 -0.53 -0.34 116.57 119.22 1xsi h LYS 403 Ca 0.08 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1xsi h LYS 403 Cb 0.81 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 1xsi h LYS 403 CO 0.07 0.61 0.39 0.78 -0.57 0.00 0.00 179.45 180.73 1xsi h GLY 404 N 0.95 1.09 1.11 3.86 0.00 -0.38 0.04 103.07 109.75 1xsi h GLY 404 Ca 0.44 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 1xsi h GLY 404 CO -0.24 0.11 -0.37 1.41 0.00 0.00 0.00 176.54 177.46 1xsi h LEU 405 N 0.69 0.99 -0.74 3.11 3.38 -0.54 -2.32 115.31 119.87 1xsi h LEU 405 Ca 0.35 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1xsi h LEU 405 Cb 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1xsi h LEU 405 CO -0.23 1.25 0.48 0.58 0.09 0.00 0.00 178.44 180.61 1xsi h VAL 406 N 0.74 1.16 0.00 1.22 2.07 -1.01 -0.98 116.25 119.45 1xsi h VAL 406 Ca 0.06 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1xsi h VAL 406 Cb 0.96 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xsi h VAL 406 CO 0.09 0.18 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 1xsi h ALA 407 N 1.29 1.04 -0.38 1.67 0.00 -0.62 0.24 119.26 122.50 1xsi h ALA 407 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xsi h ALA 407 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xsi h ALA 407 CO -0.08 0.02 0.00 -0.12 0.00 0.00 0.00 179.25 179.07 1xsi n MET 408 N -3.16 2.03 0.00 0.00 0.00 -0.43 -4.93 117.12 110.64 1xsi n MET 408 Ca -0.02 -1.59 0.00 0.00 -0.00 0.00 0.00 57.70 56.09 1xsi n MET 408 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.00 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 1.24 0.56 3.72 -5.12 0.00 0.85 -4.63 105.19 101.81 1xsi n GLY 409 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.97 -0.10 1.61 1.01 -0.85 -4.68 120.40 119.35 1xsi s VAL 410 Ca 0.00 1.47 0.16 0.00 0.00 0.00 0.00 61.98 63.61 1xsi s VAL 410 Cb 0.00 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.25 1xsi s VAL 410 CO 0.00 0.15 0.67 0.47 0.00 0.00 0.00 175.10 176.39 1xsi n ASP 411 N 3.53 0.74 -3.31 3.32 8.00 0.93 -4.29 116.55 125.48 1xsi n ASP 411 Ca 0.07 0.34 -0.08 0.00 0.71 0.00 0.00 54.79 55.83 1xsi n ASP 411 Cb 0.46 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.97 1.23 -0.48 0.00 0.40 -1.25 -2.61 117.98 112.29 1xsi s PHE 413 Ca 0.15 -0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 1xsi s PHE 413 Cb -0.05 -0.76 0.04 0.00 0.51 0.00 0.00 43.02 42.76 1xsi s PHE 413 CO 0.10 0.01 0.75 0.21 0.70 0.00 0.00 175.22 176.99 1xsi s LYS 414 N -0.73 3.30 -0.91 0.44 2.20 -0.52 -2.04 119.74 121.48 1xsi s LYS 414 Ca 0.03 -0.36 -0.18 0.00 -0.36 0.00 0.00 55.97 55.10 1xsi s LYS 414 Cb -0.07 -4.00 0.14 0.00 -1.51 0.00 0.00 37.83 32.39 1xsi s LYS 414 CO 0.00 -1.19 1.09 0.95 -0.36 0.00 0.00 175.35 175.83 1xsi s THR 415 N 3.19 4.80 0.48 3.43 -4.23 -0.33 -1.53 115.64 121.46 1xsi s THR 415 Ca 0.25 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1xsi s THR 415 Cb -0.14 -4.75 -0.02 0.00 1.34 0.00 0.00 72.50 68.94 1xsi s THR 415 CO 0.19 -1.46 0.75 -0.62 -0.54 0.00 0.00 174.62 172.94 1xsi s ASP 416 N 3.50 6.01 0.74 3.99 -1.08 -0.73 -1.94 116.67 127.16 1xsi s ASP 416 Ca 0.31 0.65 0.00 0.00 -0.52 0.00 0.00 52.55 52.99 1xsi s ASP 416 Cb -0.06 -1.92 0.00 0.00 -1.46 0.00 0.00 42.92 39.48 1xsi s ASP 416 CO -0.09 -0.67 0.00 0.49 0.52 0.00 0.00 175.17 175.42 1xsi n PHE 417 N -2.22 -0.60 0.00 -5.34 3.01 -1.26 -4.40 117.46 106.66 1xsi n PHE 417 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1xsi n PHE 417 Cb 0.56 0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 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 0.59 0.13 1.37 0.00 -1.26 -3.90 105.19 102.12 1xsi n GLY 418 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xsi n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xsi n GLU 419 N -1.65 0.72 -1.32 1.61 0.00 -1.26 -4.30 120.64 114.44 1xsi n GLU 419 Ca 0.00 0.31 -0.37 0.00 0.00 0.00 0.00 57.16 57.10 1xsi n GLU 419 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 31.44 29.72 1xsi n GLU 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xsi n ARG 420 N -3.65 2.96 -3.00 3.44 1.74 -1.26 -4.59 116.66 112.30 1xsi n ARG 420 Ca -0.33 -2.15 -0.42 0.00 -0.77 0.00 0.00 57.85 54.18 1xsi n ARG 420 Cb 0.98 -2.89 -0.05 0.00 -1.02 0.00 0.00 32.46 29.47 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 2.97 4.81 0.67 0.55 -1.09 -1.26 -5.06 121.20 122.79 1xsi s ILE 421 Ca 0.57 0.99 -0.14 0.00 -2.23 0.00 0.00 60.65 59.84 1xsi s ILE 421 Cb 0.15 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1xsi s ILE 421 CO -0.05 -0.28 1.10 -2.16 -1.23 0.00 0.00 174.94 172.32 1xsi s PRO 422 N 2.90 2.77 -0.02 2.79 0.04 -1.26 -4.75 135.00 137.48 1xsi s PRO 422 Ca 0.30 1.32 0.16 0.00 0.04 0.00 0.00 61.00 62.82 1xsi s PRO 422 Cb -0.14 -1.95 -0.24 0.00 0.04 0.00 0.00 34.50 32.21 1xsi s PRO 422 CO 0.14 -1.26 0.44 0.25 0.04 0.00 0.00 177.00 176.60 1xsi n THR 423 N -2.59 0.00 -1.66 1.26 -2.24 -1.26 -4.65 114.28 103.14 1xsi n THR 423 Ca 0.10 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1xsi n THR 423 Cb 0.52 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.90 6.13 -4.03 3.42 3.85 -1.26 -4.80 116.55 117.95 1xsi n ASP 424 Ca -0.02 -2.79 -0.10 0.00 -0.71 0.00 0.00 54.79 51.17 1xsi n ASP 424 Cb 0.39 -1.58 -0.06 0.00 -1.35 0.00 0.00 41.12 38.51 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 2.19 0.01 -0.25 2.12 0.11 -1.26 -4.59 120.40 118.73 1xsi s VAL 425 Ca 0.55 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.10 1xsi s VAL 425 Cb 0.15 -2.21 0.06 0.00 -1.53 0.00 0.00 36.38 32.85 1xsi s VAL 425 CO -0.07 -0.04 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.00 1xsi s GLN 426 N -4.04 1.91 0.51 1.54 0.74 -0.45 -4.73 119.66 115.14 1xsi s GLN 426 Ca 0.25 -1.15 -0.20 0.00 0.05 0.00 0.00 55.36 54.31 1xsi s GLN 426 Cb 0.01 -2.72 -0.07 0.00 1.10 0.00 0.00 33.01 31.33 1xsi s GLN 426 CO 0.08 -0.58 1.09 -1.58 -0.55 0.00 0.00 175.29 173.75 1xsi s TRP 427 N 1.26 2.85 0.25 1.67 0.52 -1.26 -4.14 118.94 120.08 1xsi s TRP 427 Ca -0.07 1.56 -0.04 0.00 0.02 0.00 0.00 56.10 57.57 1xsi s TRP 427 Cb -0.19 -3.20 0.47 0.00 -1.15 0.00 0.00 33.47 29.40 1xsi s TRP 427 CO -0.06 -1.22 1.73 0.35 0.02 0.00 0.00 176.95 177.78 1xsi h PHE 428 N 1.47 0.53 -0.06 -1.98 3.57 -1.93 -1.40 116.94 117.14 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 1.24 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1xsi h PHE 428 CO 0.54 0.07 0.00 -0.40 -2.23 0.00 0.00 178.31 176.29 1xsi n ASP 429 N -4.99 0.81 0.00 0.41 5.75 -1.26 -4.91 116.55 112.36 1xsi n ASP 429 Ca 0.15 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1xsi n ASP 429 Cb 0.42 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 1.00 0.79 3.32 6.12 0.00 -0.53 -5.01 105.19 110.88 1xsi n GLY 430 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -2.64 -4.59 1.61 7.64 -1.26 -4.90 113.62 109.47 1xsi n SER 431 Ca 0.00 0.79 -0.42 0.00 1.01 0.00 0.00 58.87 60.25 1xsi n SER 431 Cb 0.00 -0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 1xsi n SER 431 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xsi s ASP 432 N -1.00 5.49 0.59 6.43 -1.08 -0.41 -4.62 116.67 122.06 1xsi s ASP 432 Ca 0.60 1.54 0.29 0.00 -0.52 0.00 0.00 52.55 54.46 1xsi s ASP 432 Cb -0.60 -2.52 1.50 0.00 -1.46 0.00 0.00 42.92 39.84 1xsi s ASP 432 CO 0.62 -1.99 1.92 -0.65 0.52 0.00 0.00 175.17 175.60 1xsi h PRO 433 N 14.79 0.00 0.00 4.34 0.11 -1.88 0.36 132.00 149.71 1xsi h PRO 433 Ca -0.36 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 1xsi h PRO 433 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xsi h PRO 433 CO 1.01 0.00 -0.47 1.96 -0.21 0.00 0.00 178.00 180.29 1xsi h GLN 434 N 0.00 0.00 0.08 1.05 1.08 -1.89 -2.84 115.11 112.59 1xsi h GLN 434 Ca 0.20 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.10 1xsi h GLN 434 Cb 1.10 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 1xsi h GLN 434 CO -0.00 0.47 -1.63 0.87 -0.95 0.00 0.00 178.83 177.60 1xsi h LYS 435 N 0.00 0.17 -0.20 1.46 1.57 -1.24 -3.35 116.57 114.98 1xsi h LYS 435 Ca -0.00 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1xsi h LYS 435 Cb 1.05 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1xsi h LYS 435 CO 0.06 0.96 -0.10 0.52 -0.57 0.00 0.00 179.45 180.33 1xsi h MET 436 N 0.05 0.32 -0.73 3.15 2.86 -1.25 -2.91 114.93 116.42 1xsi h MET 436 Ca -0.27 -0.07 0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1xsi h MET 436 Cb 2.00 -0.04 -0.14 0.00 0.06 0.00 0.00 31.60 33.48 1xsi h MET 436 CO 0.12 0.43 -0.23 1.25 1.06 0.00 0.00 176.91 179.54 1xsi h HIS 437 N 0.30 -0.55 0.14 -0.22 -0.00 -1.63 0.21 115.15 113.40 1xsi h HIS 437 Ca 0.06 0.07 -0.31 0.00 -0.00 0.00 0.00 60.37 60.20 1xsi h HIS 437 Cb 0.37 0.36 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1xsi h HIS 437 CO 0.01 -0.34 -1.57 -0.91 -0.00 0.00 0.00 177.93 175.12 1xsi h ASN 438 N -0.04 0.46 0.36 3.26 2.35 -1.78 -3.36 115.58 116.83 1xsi h ASN 438 Ca 0.33 -0.89 -0.02 0.00 -0.55 0.00 0.00 56.30 55.18 1xsi h ASN 438 Cb 0.56 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1xsi h ASN 438 CO -0.77 1.69 -0.08 -0.74 -1.65 0.00 0.00 177.43 175.88 1xsi h HIS 439 N -0.14 0.00 -0.81 1.19 2.76 -1.22 -2.53 115.15 114.40 1xsi h HIS 439 Ca -0.33 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.00 1xsi h HIS 439 Cb 1.89 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.75 1xsi h HIS 439 CO 0.11 0.08 0.36 -0.92 -1.30 0.00 0.00 177.93 176.27 1xsi h TYR 440 N 0.00 0.63 -0.76 5.26 3.20 -0.74 -0.78 116.97 123.77 1xsi h TYR 440 Ca -0.00 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.99 1xsi h TYR 440 Cb 0.28 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 1xsi h TYR 440 CO 0.00 0.09 0.50 0.00 -1.64 0.00 0.00 178.16 177.11 1xsi h ALA 441 N 1.58 1.75 0.06 1.82 0.00 -1.63 -0.04 119.26 122.79 1xsi h ALA 441 Ca 0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1xsi h ALA 441 Cb 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xsi h ALA 441 CO -0.41 0.11 -0.03 -0.92 0.00 0.00 0.00 179.25 178.00 1xsi h TYR 442 N 0.73 -0.07 -0.73 0.00 3.20 -1.34 -2.12 116.97 116.64 1xsi h TYR 442 Ca 0.34 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1xsi h TYR 442 Cb 0.37 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1xsi h TYR 442 CO -0.00 0.46 0.46 0.82 -1.64 0.00 0.00 178.16 178.26 1xsi h ILE 443 N -0.66 1.20 0.45 1.81 1.08 -0.88 -0.63 117.51 119.88 1xsi h ILE 443 Ca -0.01 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1xsi h ILE 443 Cb 0.56 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1xsi h ILE 443 CO 0.01 0.20 -0.44 0.22 -0.69 0.00 0.00 178.15 177.45 1xsi h TYR 444 N 0.99 -1.20 0.00 1.37 -0.00 -1.12 -1.96 116.97 115.05 1xsi h TYR 444 Ca 0.26 0.01 -0.07 0.00 -0.00 0.00 0.00 58.73 58.93 1xsi h TYR 444 Cb -0.08 0.47 -0.01 0.00 -0.00 0.00 0.00 36.73 37.11 1xsi h TYR 444 CO -0.02 -0.60 -0.36 -0.91 -0.00 0.00 0.00 178.16 176.28 1xsi h ASN 445 N -0.90 0.00 -0.59 -2.11 2.35 -1.23 -2.74 115.58 110.36 1xsi h ASN 445 Ca -0.05 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1xsi h ASN 445 Cb 0.79 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1xsi h ASN 445 CO -0.06 0.36 0.02 -0.08 -1.65 0.00 0.00 177.43 176.02 1xsi h GLU 446 N 0.00 1.05 -0.36 0.81 4.81 -1.06 -1.15 114.58 118.67 1xsi h GLU 446 Ca -0.00 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.77 1xsi h GLU 446 Cb 0.64 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1xsi h GLU 446 CO 0.05 1.01 -0.30 1.25 -0.73 0.00 0.00 179.01 180.29 1xsi h LEU 447 N 0.97 0.90 -0.44 1.64 6.46 -1.12 -1.35 115.31 122.36 1xsi h LEU 447 Ca 0.18 -0.45 -0.13 0.00 -0.12 0.00 0.00 57.88 57.36 1xsi h LEU 447 Cb 0.53 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1xsi h LEU 447 CO 0.03 1.16 -0.23 0.58 -0.62 0.00 0.00 178.44 179.35 1xsi h VAL 448 N 0.65 1.27 -0.64 1.05 2.07 -1.32 -2.54 116.25 116.79 1xsi h VAL 448 Ca 0.07 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 1xsi h VAL 448 Cb 0.88 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1xsi h VAL 448 CO 0.08 0.47 0.06 -0.25 0.02 0.00 0.00 177.57 177.95 1xsi h TRP 449 N 0.78 1.17 0.00 1.57 2.91 -1.08 -2.50 115.95 118.79 1xsi h TRP 449 Ca 0.10 -0.18 -0.05 0.00 1.13 0.00 0.00 58.89 59.89 1xsi h TRP 449 Cb 0.81 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 1xsi h TRP 449 CO 0.06 1.00 -0.22 -0.91 -1.03 0.00 0.00 178.44 177.34 1xsi h ASN 450 N 1.01 0.00 -0.16 2.65 2.35 -1.17 -0.61 115.58 119.64 1xsi h ASN 450 Ca 0.19 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1xsi h ASN 450 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1xsi h ASN 450 CO 0.02 0.22 -0.05 0.58 -1.65 0.00 0.00 177.43 176.55 1xsi h VAL 451 N 0.00 1.30 -0.31 2.81 2.07 -1.04 -1.47 116.25 119.61 1xsi h VAL 451 Ca -0.00 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1xsi h VAL 451 Cb 0.43 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1xsi h VAL 451 CO 0.03 0.31 0.14 -0.07 0.02 0.00 0.00 177.57 178.00 1xsi h LEU 452 N 0.01 0.20 -1.24 2.57 4.07 -1.15 -0.84 115.31 118.93 1xsi h LEU 452 Ca 0.04 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.07 1xsi h LEU 452 Cb 0.51 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.18 1xsi h LEU 452 CO 0.02 0.15 0.53 0.50 -1.08 0.00 0.00 178.44 178.56 1xsi h LYS 453 N 0.30 0.92 -0.00 1.13 3.64 -1.07 0.12 116.57 121.61 1xsi h LYS 453 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xsi h LYS 453 Cb 0.06 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1xsi h LYS 453 CO -0.10 0.61 -0.19 -0.25 -2.27 0.00 0.00 179.45 177.25 1xsi n ASP 454 N -4.47 0.68 0.01 4.20 8.00 -0.56 -3.24 116.55 121.18 1xsi n ASP 454 Ca 0.11 -0.64 -0.01 0.00 0.71 0.00 0.00 54.79 54.96 1xsi n ASP 454 Cb 0.16 0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.89 0.63 0.14 -3.53 -2.24 -0.36 -4.85 114.28 103.18 1xsi n THR 455 Ca 0.13 0.22 0.05 0.00 -2.27 0.00 0.00 64.05 62.18 1xsi n THR 455 Cb 0.31 -1.40 0.04 0.00 -2.10 0.00 0.00 70.33 67.18 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 -0.09 0.58 0.00 2.28 -1.51 -1.24 -3.50 116.25 112.77 1xsi h VAL 456 Ca 0.00 -1.86 0.00 0.00 -1.23 0.00 0.00 66.70 63.61 1xsi h VAL 456 Cb 0.09 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1xsi h VAL 456 CO 0.00 0.33 0.00 0.61 -1.23 0.00 0.00 177.57 177.28 1xsi n GLY 457 N 1.22 2.50 0.35 5.19 0.00 -0.61 -4.51 105.19 109.33 1xsi n GLY 457 Ca 0.01 -1.68 0.20 0.00 0.00 0.00 0.00 46.02 44.54 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 0.50 0.00 1.61 4.81 -1.80 0.24 114.58 119.93 1xsi h GLU 458 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xsi h GLU 458 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1xsi h GLU 458 CO 0.00 0.33 -0.02 0.93 -0.73 0.00 0.00 179.01 179.52 1xsi h GLU 459 N 0.51 0.00 -0.02 1.92 3.07 -1.90 -2.58 114.58 115.58 1xsi h GLU 459 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1xsi h GLU 459 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1xsi h GLU 459 CO -0.48 0.02 -0.30 0.39 -1.40 0.00 0.00 179.01 177.23 1xsi n GLU 460 N -3.11 1.63 -2.66 2.33 -0.58 0.79 -3.67 120.64 115.37 1xsi n GLU 460 Ca 0.01 -1.35 -0.42 0.00 -0.42 0.00 0.00 57.16 54.98 1xsi n GLU 460 Cb 0.34 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 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 -2.30 3.20 -0.02 0.62 0.00 -0.94 -4.82 121.76 117.51 1xsi s ALA 461 Ca 0.22 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 1xsi s ALA 461 Cb 0.19 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1xsi s ALA 461 CO 0.47 -0.26 0.42 0.54 0.00 0.00 0.00 175.76 176.93 1xsi s VAL 462 N 0.98 0.04 0.34 0.00 0.11 -1.26 -4.48 120.40 116.13 1xsi s VAL 462 Ca 0.53 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1xsi s VAL 462 Cb -0.22 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1xsi s VAL 462 CO 0.28 -0.19 0.09 -0.76 -3.33 0.00 0.00 175.10 171.19 1xsi s LEU 463 N -1.37 1.99 -0.41 2.54 1.43 0.13 -3.97 118.68 119.02 1xsi s LEU 463 Ca -0.12 -1.49 0.02 0.00 -1.03 0.00 0.00 54.13 51.51 1xsi s LEU 463 Cb -0.03 -0.18 0.12 0.00 0.03 0.00 0.00 46.19 46.13 1xsi s LEU 463 CO 0.05 -0.75 0.19 -0.36 0.23 0.00 0.00 176.35 175.71 1xsi s PHE 464 N -3.37 2.12 -0.16 0.29 0.40 -0.87 -3.63 117.98 112.77 1xsi s PHE 464 Ca 0.32 -2.36 -0.04 0.00 -0.60 0.00 0.00 56.93 54.26 1xsi s PHE 464 Cb 0.06 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1xsi s PHE 464 CO 0.15 -0.81 -0.02 0.00 0.70 0.00 0.00 175.22 175.23 1xsi s ALA 465 N 0.64 3.06 -0.10 5.36 0.00 0.91 -1.18 121.76 130.45 1xsi s ALA 465 Ca 0.15 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 1xsi s ALA 465 Cb -0.23 -1.60 -0.28 0.00 0.00 0.00 0.00 23.12 21.02 1xsi s ALA 465 CO -0.06 0.23 0.65 -0.09 0.00 0.00 0.00 175.76 176.48 1xsi h ARG 466 N 6.64 0.22 -6.12 0.00 2.43 -1.65 -2.48 114.38 113.42 1xsi h ARG 466 Ca -0.32 -0.38 -0.51 0.00 -0.81 0.00 0.00 59.98 57.95 1xsi h ARG 466 Cb 1.19 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 1xsi h ARG 466 CO 0.64 1.18 -0.37 -1.54 -1.51 0.00 0.00 179.97 178.37 1xsi s SER 467 N -6.94 4.92 0.06 -3.80 1.04 -1.25 -4.51 113.70 103.22 1xsi s SER 467 Ca -0.19 -0.87 -0.27 0.00 0.48 0.00 0.00 55.95 55.10 1xsi s SER 467 Cb 0.03 -0.36 0.09 0.00 0.10 0.00 0.00 66.02 65.87 1xsi s SER 467 CO 0.77 -0.74 0.96 0.00 0.98 0.00 0.00 173.24 175.21 1xsi s ALA 468 N -2.54 -1.78 0.34 5.32 0.00 -1.22 -4.93 121.76 116.94 1xsi s ALA 468 Ca 0.46 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 1xsi s ALA 468 Cb -0.02 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1xsi s ALA 468 CO 0.27 -0.88 0.69 0.45 0.00 0.00 0.00 175.76 176.29 1xsi s SER 469 N -2.72 0.10 0.12 0.00 0.15 -1.26 -3.92 113.70 106.16 1xsi s SER 469 Ca 0.09 -1.07 -0.33 0.00 0.70 0.00 0.00 55.95 55.34 1xsi s SER 469 Cb -0.01 0.77 -0.12 0.00 -1.71 0.00 0.00 66.02 64.95 1xsi s SER 469 CO -0.03 -1.50 1.73 0.52 1.20 0.00 0.00 173.24 175.16 1xsi n VAL 470 N -0.51 0.20 0.00 4.45 0.31 -1.26 -1.24 118.33 120.28 1xsi n VAL 470 Ca -0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1xsi n VAL 470 Cb 0.60 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 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 3.91 3.42 0.06 2.92 0.00 -1.26 -4.51 105.19 109.73 1xsi n GLY 471 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.71 1.49 0.14 4.61 0.00 -0.37 -1.88 120.51 122.78 1xsi n ALA 472 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.56 1xsi n ALA 472 Cb 0.00 -1.26 0.49 0.00 0.00 0.00 0.00 19.45 18.68 1xsi n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsi n GLN 473 N -1.82 0.12 0.00 0.00 0.00 -1.26 -0.92 117.38 113.50 1xsi n GLN 473 Ca 0.02 0.61 0.09 0.00 0.00 0.00 0.00 57.00 57.72 1xsi n GLN 473 Cb 0.15 -1.88 0.43 0.00 0.00 0.00 0.00 30.24 28.93 1xsi n GLN 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xsi n LYS 474 N -2.13 0.11 -3.17 2.61 5.02 -0.79 -3.87 118.16 115.95 1xsi n LYS 474 Ca -0.01 0.15 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 1xsi n LYS 474 Cb 0.03 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 1xsi n LYS 474 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xsi n PHE 475 N -1.41 3.51 -0.62 2.13 3.72 -0.09 -3.82 117.46 120.88 1xsi n PHE 475 Ca 0.06 -4.04 -0.29 0.00 -0.05 0.00 0.00 57.45 53.13 1xsi n PHE 475 Cb 0.19 -0.51 0.26 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.91 -1.75 -0.00 -1.08 0.04 -1.26 -4.69 135.00 123.36 1xsi s PRO 476 Ca 0.44 0.35 -0.00 0.00 0.04 0.00 0.00 61.00 61.82 1xsi s PRO 476 Cb 0.22 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 33.27 1xsi s PRO 476 CO -0.08 -4.15 0.01 1.55 0.04 0.00 0.00 177.00 174.37 1xsi n VAL 477 N -5.14 -3.33 -4.29 -0.36 3.14 -1.24 -0.69 118.33 106.42 1xsi n VAL 477 Ca 0.09 0.76 -0.34 0.00 -2.96 0.00 0.00 64.34 61.89 1xsi n VAL 477 Cb 0.58 -2.71 -0.11 0.00 -1.06 0.00 0.00 33.84 30.53 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 -0.15 3.10 0.11 1.45 3.76 -1.24 -0.06 115.29 122.26 1xsi s HIS 478 Ca -0.01 -0.15 0.08 0.00 -0.15 0.00 0.00 55.06 54.83 1xsi s HIS 478 Cb 0.00 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 1xsi s HIS 478 CO 0.02 0.07 -0.12 1.67 -0.85 0.00 0.00 174.74 175.53 1xsi s TRP 479 N 0.24 2.68 -2.00 1.40 -2.14 -0.93 -0.83 118.94 117.36 1xsi s TRP 479 Ca -0.01 -0.19 0.08 0.00 2.66 0.00 0.00 56.10 58.65 1xsi s TRP 479 Cb -0.13 -1.40 0.50 0.00 -3.10 0.00 0.00 33.47 29.34 1xsi s TRP 479 CO 0.02 0.42 1.04 0.41 -2.66 0.00 0.00 176.95 176.18 1xsi n GLY 480 N 0.68 -0.64 7.00 3.67 0.00 0.05 -4.63 105.19 111.32 1xsi n GLY 480 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.20 -0.65 3.43 -0.02 0.00 -1.26 -4.73 105.19 102.16 1xsi n GLY 481 Ca 0.06 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.48 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 7.10 0.55 1.61 1.01 -1.26 -4.66 116.67 117.02 1xsi s ASP 482 Ca 0.00 -3.08 -0.07 0.00 0.71 0.00 0.00 52.55 50.11 1xsi s ASP 482 Cb 0.00 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 1xsi s ASP 482 CO 0.00 -0.64 0.88 0.00 0.21 0.00 0.00 175.17 175.61 1xsi s TYR 484 N -2.92 3.47 -1.26 0.00 2.02 -1.26 -0.95 117.35 116.44 1xsi s TYR 484 Ca 0.51 0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 57.38 1xsi s TYR 484 Cb -0.11 -1.82 0.17 0.00 -0.40 0.00 0.00 41.96 39.81 1xsi s TYR 484 CO 0.47 0.19 2.08 0.00 -1.57 0.00 0.00 175.55 176.72 1xsi n ALA 485 N -1.69 6.12 -2.99 3.71 0.00 -0.74 -4.48 120.51 120.44 1xsi n ALA 485 Ca -0.06 -4.28 -0.10 0.00 0.00 0.00 0.00 53.44 49.01 1xsi n ALA 485 Cb 0.56 -2.74 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 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 0.15 -0.13 0.24 0.00 2.20 -1.26 -4.43 114.94 111.70 1xsi s ASN 486 Ca 0.46 -0.56 -0.05 0.00 -0.94 0.00 0.00 52.86 51.77 1xsi s ASN 486 Cb 0.14 0.49 0.25 0.00 -2.00 0.00 0.00 41.25 40.13 1xsi s ASN 486 CO -0.05 -0.92 1.74 1.88 -2.94 0.00 0.00 177.10 176.81 1xsi h TYR 487 N 2.39 0.99 -0.68 1.54 0.05 -1.90 -1.67 116.97 117.69 1xsi h TYR 487 Ca -0.31 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.39 1xsi h TYR 487 Cb 1.24 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 38.66 1xsi h TYR 487 CO 0.36 0.86 0.39 0.93 -1.05 0.00 0.00 178.16 179.65 1xsi h GLU 488 N 0.88 0.70 -0.05 4.88 3.07 -1.95 -0.51 114.58 121.60 1xsi h GLU 488 Ca 0.18 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.84 1xsi h GLU 488 Cb 0.43 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1xsi h GLU 488 CO 0.01 0.46 -0.65 1.03 -1.40 0.00 0.00 179.01 178.46 1xsi h SER 489 N 0.72 0.24 -0.64 1.42 0.87 -1.73 -1.36 113.55 113.07 1xsi h SER 489 Ca 0.30 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1xsi h SER 489 Cb 0.16 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1xsi h SER 489 CO -0.17 0.83 0.31 -0.03 -0.53 0.00 0.00 176.83 177.24 1xsi h MET 490 N 0.15 0.92 -0.18 2.24 -1.53 -0.90 -0.01 114.93 115.62 1xsi h MET 490 Ca -0.01 -0.13 -0.04 0.00 -3.44 0.00 0.00 59.70 56.07 1xsi h MET 490 Cb 1.18 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 32.06 1xsi h MET 490 CO 0.10 0.73 -0.05 0.00 0.14 0.00 0.00 176.91 177.83 1xsi h ALA 491 N 1.14 0.25 -0.73 0.39 0.00 -0.85 -1.92 119.26 117.55 1xsi h ALA 491 Ca 0.22 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xsi h ALA 491 Cb 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1xsi h ALA 491 CO -0.03 0.03 0.48 1.05 0.00 0.00 0.00 179.25 180.78 1xsi h GLU 492 N 0.06 0.86 -0.13 0.00 4.11 -1.19 -0.92 114.58 117.37 1xsi h GLU 492 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1xsi h GLU 492 Cb 0.51 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xsi h GLU 492 CO 0.02 0.57 0.06 0.77 0.07 0.00 0.00 179.01 180.50 1xsi h SER 493 N 0.88 0.17 -0.92 3.06 0.02 -0.71 -2.08 113.55 113.98 1xsi h SER 493 Ca 0.29 -0.13 0.12 0.00 -0.84 0.00 0.00 61.79 61.22 1xsi h SER 493 Cb 0.05 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1xsi h SER 493 CO -0.08 0.26 0.55 0.25 -1.14 0.00 0.00 176.83 176.67 1xsi h LEU 494 N 0.08 0.79 -0.85 5.07 5.85 -0.96 -0.58 115.31 124.70 1xsi h LEU 494 Ca 0.04 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xsi h LEU 494 Cb 0.13 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1xsi h LEU 494 CO -0.01 0.41 0.56 0.03 -0.34 0.00 0.00 178.44 179.09 1xsi h ARG 495 N 0.87 1.12 -0.42 1.25 3.08 -0.72 0.13 114.38 119.68 1xsi h ARG 495 Ca 0.46 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1xsi h ARG 495 Cb 0.48 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1xsi h ARG 495 CO -0.28 0.75 0.28 0.78 -1.07 0.00 0.00 179.97 180.43 1xsi h GLY 496 N 1.15 0.60 1.48 0.04 0.00 -0.55 -0.11 103.07 105.68 1xsi h GLY 496 Ca 0.31 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1xsi h GLY 496 CO -0.07 0.22 -0.26 -1.33 0.00 0.00 0.00 176.54 175.11 1xsi h GLY 497 N 0.58 0.65 0.96 4.60 0.00 -0.75 0.19 103.07 109.29 1xsi h GLY 497 Ca 0.16 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1xsi h GLY 497 CO -0.03 0.50 -0.02 1.41 0.00 0.00 0.00 176.54 178.40 1xsi h LEU 498 N 0.52 0.72 -0.42 3.11 3.38 -0.82 -2.85 115.31 118.96 1xsi h LEU 498 Ca 0.07 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xsi h LEU 498 Cb 0.72 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1xsi h LEU 498 CO 0.06 0.86 0.25 0.28 0.09 0.00 0.00 178.44 179.98 1xsi h SER 499 N 0.56 0.49 -0.97 -0.43 0.02 -0.67 -1.77 113.55 110.78 1xsi h SER 499 Ca 0.11 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1xsi h SER 499 Cb 0.50 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 1xsi h SER 499 CO 0.02 0.40 0.64 -0.29 -1.14 0.00 0.00 176.83 176.46 1xsi h ILE 500 N 0.55 1.20 -0.51 3.27 2.10 -0.61 -1.60 117.51 121.91 1xsi h ILE 500 Ca 0.15 -0.43 -0.06 0.00 1.08 0.00 0.00 64.86 65.59 1xsi h ILE 500 Cb -0.01 -0.17 -0.02 0.00 -1.09 0.00 0.00 36.82 35.52 1xsi h ILE 500 CO -0.03 0.23 0.06 1.23 -1.08 0.00 0.00 178.15 178.56 1xsi h GLY 501 N 1.26 0.88 1.85 8.18 0.00 -1.27 0.03 103.07 114.00 1xsi h GLY 501 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1xsi h GLY 501 CO -0.10 0.51 0.00 1.04 0.00 0.00 0.00 176.54 177.99 1xsi n LEU 502 N -4.24 0.00 -0.32 3.11 4.77 -0.69 -2.79 117.00 116.84 1xsi n LEU 502 Ca 0.03 0.42 0.05 0.00 -0.03 0.00 0.00 56.01 56.48 1xsi n LEU 502 Cb 0.27 -0.42 0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1xsi n LEU 502 CO 0.41 -0.33 0.58 -1.20 -1.33 0.00 0.00 177.39 175.52 1xsi n SER 503 N -1.42 2.60 0.00 -1.43 7.64 -0.04 -4.55 113.62 116.43 1xsi n SER 503 Ca 0.02 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1xsi n SER 503 Cb 0.07 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.41 0.68 3.77 0.23 0.00 -1.07 -4.93 105.19 103.46 1xsi n GLY 504 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 3.54 -0.43 1.61 0.08 -1.00 -4.70 117.98 115.08 1xsi s PHE 505 Ca 0.00 0.69 0.23 0.00 0.12 0.00 0.00 56.93 57.97 1xsi s PHE 505 Cb 0.00 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 1xsi s PHE 505 CO 0.00 0.38 0.94 0.41 -0.10 0.00 0.00 175.22 176.84 1xsi n GLY 506 N 2.88 -1.23 2.95 4.36 0.00 -1.26 -3.78 105.19 109.10 1xsi n GLY 506 Ca -0.13 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1xsi n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsi s PHE 507 N -3.29 0.25 -0.28 1.61 0.08 -1.26 -2.26 117.98 112.83 1xsi s PHE 507 Ca 0.01 -0.26 -0.18 0.00 0.12 0.00 0.00 56.93 56.62 1xsi s PHE 507 Cb 0.13 -0.16 0.10 0.00 -0.57 0.00 0.00 43.02 42.52 1xsi s PHE 507 CO 0.82 -0.08 0.81 -0.46 -0.10 0.00 0.00 175.22 176.21 1xsi s TRP 508 N -0.70 -0.84 0.44 0.36 -0.00 -1.26 -3.65 118.94 113.29 1xsi s TRP 508 Ca -0.06 1.73 0.03 0.00 -0.00 0.00 0.00 56.10 57.80 1xsi s TRP 508 Cb -0.05 0.49 -0.03 0.00 -0.00 0.00 0.00 33.47 33.88 1xsi s TRP 508 CO -0.00 -0.41 0.07 0.45 -0.00 0.00 0.00 176.95 177.05 1xsi s SER 509 N 1.31 3.32 0.03 5.86 0.15 -0.01 -3.17 113.70 121.19 1xsi s SER 509 Ca -0.08 -1.61 -0.27 0.00 0.70 0.00 0.00 55.95 54.69 1xsi s SER 509 Cb -0.05 0.38 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 1xsi s SER 509 CO -0.15 -0.83 0.77 -1.38 1.20 0.00 0.00 173.24 172.85 1xsi s HIS 510 N -3.06 -0.46 -0.52 3.44 -3.43 -1.26 -0.77 115.29 109.24 1xsi s HIS 510 Ca 0.19 0.43 -0.28 0.00 -0.80 0.00 0.00 55.06 54.60 1xsi s HIS 510 Cb 0.03 0.52 0.02 0.00 -1.43 0.00 0.00 32.58 31.72 1xsi s HIS 510 CO 0.11 -0.64 1.34 -0.51 -2.00 0.00 0.00 174.74 173.05 1xsi s ASP 511 N -2.24 6.29 -0.06 7.38 -0.00 -1.26 -4.22 116.67 122.57 1xsi s ASP 511 Ca 0.01 0.42 -0.29 0.00 -0.00 0.00 0.00 52.55 52.68 1xsi s ASP 511 Cb -0.01 -2.55 -0.07 0.00 -0.00 0.00 0.00 42.92 40.29 1xsi s ASP 511 CO -0.07 -1.55 2.06 -0.63 -0.00 0.00 0.00 175.17 174.98 1xsi s ILE 512 N 5.53 3.02 0.00 0.77 1.01 -0.31 -0.85 121.20 130.37 1xsi s ILE 512 Ca 0.53 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1xsi s ILE 512 Cb -0.10 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1xsi s ILE 512 CO 0.28 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1xsi n GLY 513 N 4.99 0.51 0.00 6.18 0.00 -1.26 -4.32 105.19 111.29 1xsi n GLY 513 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 -1.53 0.02 -0.02 0.00 -0.03 -4.33 105.19 97.30 1xsi n GLY 514 Ca 0.00 -1.45 -0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 -3.44 1.61 3.04 -1.25 -3.41 116.94 113.48 1xsi h PHE 515 Ca 0.00 0.00 -0.54 0.00 3.98 0.00 0.00 57.97 61.41 1xsi h PHE 515 Cb 0.00 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1xsi h PHE 515 CO 0.00 0.00 0.06 -1.21 -2.02 0.00 0.00 178.31 175.14 1xsi s GLU 516 N -1.27 4.25 0.00 1.11 0.41 -0.43 0.54 118.70 123.32 1xsi s GLU 516 Ca -0.01 0.83 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 1xsi s GLU 516 Cb 0.00 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1xsi s GLU 516 CO 0.02 0.50 0.00 0.09 -0.49 0.00 0.00 175.26 175.37 1xsi n ASN 517 N 1.12 -0.06 -4.57 -0.19 5.03 -1.26 -1.79 115.26 113.55 1xsi n ASN 517 Ca -0.05 0.01 -0.38 0.00 0.87 0.00 0.00 54.58 55.03 1xsi n ASN 517 Cb 0.51 -0.02 -0.11 0.00 -1.02 0.00 0.00 39.78 39.13 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 -3.02 5.13 0.29 3.41 2.01 -1.26 -4.62 115.64 117.57 1xsi s THR 518 Ca 0.00 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1xsi s THR 518 Cb 0.00 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1xsi s THR 518 CO 0.00 0.28 1.33 0.00 -0.69 0.00 0.00 174.62 175.54 1xsi s ALA 519 N 1.65 3.53 0.65 7.40 0.00 -1.26 -4.98 121.76 128.75 1xsi s ALA 519 Ca 0.07 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.09 1xsi s ALA 519 Cb -0.16 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1xsi s ALA 519 CO 0.09 -0.63 1.28 -1.25 0.00 0.00 0.00 175.76 175.25 1xsi s PRO 520 N -1.13 2.56 0.34 0.00 0.04 -1.26 -4.74 135.00 130.80 1xsi s PRO 520 Ca 0.53 2.01 0.14 0.00 0.04 0.00 0.00 61.00 63.72 1xsi s PRO 520 Cb -0.39 -1.85 1.08 0.00 0.04 0.00 0.00 34.50 33.38 1xsi s PRO 520 CO 0.47 -1.58 1.64 0.00 0.04 0.00 0.00 177.00 177.57 1xsi h ALA 521 N 0.51 1.88 -0.04 8.56 0.00 -1.95 -2.13 119.26 126.09 1xsi h ALA 521 Ca -0.51 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsi h ALA 521 Cb 1.33 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1xsi h ALA 521 CO 0.53 -0.64 0.01 1.12 0.00 0.00 0.00 179.25 180.28 1xsi h HIS 522 N 0.23 0.07 -0.04 0.00 2.07 -1.99 0.14 115.15 115.64 1xsi h HIS 522 Ca 0.73 -0.01 0.03 0.00 -2.85 0.00 0.00 60.37 58.27 1xsi h HIS 522 Cb 1.70 -0.02 -0.04 0.00 2.57 0.00 0.00 27.41 31.62 1xsi h HIS 522 CO -0.06 0.24 -0.18 0.28 -3.07 0.00 0.00 177.93 175.15 1xsi h VAL 523 N -0.12 0.56 -0.90 6.12 2.07 -1.80 -0.81 116.25 121.37 1xsi h VAL 523 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 1xsi h VAL 523 Cb 0.20 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1xsi h VAL 523 CO -0.00 0.00 0.58 0.22 0.02 0.00 0.00 177.57 178.39 1xsi h TYR 524 N -0.27 0.95 -0.04 1.57 3.20 -0.99 -1.75 116.97 119.64 1xsi h TYR 524 Ca 0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1xsi h TYR 524 Cb 0.36 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1xsi h TYR 524 CO -0.25 0.41 -0.06 0.87 -1.64 0.00 0.00 178.16 177.49 1xsi h LYS 525 N 0.85 0.11 -0.54 1.82 1.57 0.15 -0.84 116.57 119.70 1xsi h LYS 525 Ca 0.43 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.23 1xsi h LYS 525 Cb 0.49 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 1xsi h LYS 525 CO -0.20 0.61 0.17 0.00 -0.57 0.00 0.00 179.45 179.47 1xsi h ARG 526 N -0.38 0.33 -0.34 3.15 2.47 -1.02 -2.43 114.38 116.17 1xsi h ARG 526 Ca 0.00 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1xsi h ARG 526 Cb 0.60 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1xsi h ARG 526 CO 0.01 0.22 0.13 2.35 0.56 0.00 0.00 179.97 183.24 1xsi h TRP 527 N 0.34 0.48 -0.54 3.04 2.91 -1.23 -2.38 115.95 118.56 1xsi h TRP 527 Ca 0.27 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.26 1xsi h TRP 527 Cb 0.32 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 1xsi h TRP 527 CO -0.18 0.39 0.31 0.00 -1.03 0.00 0.00 178.44 177.92 1xsi h ALA 529 N 1.14 0.44 -0.06 0.00 0.00 -1.23 -1.85 119.26 117.70 1xsi h ALA 529 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xsi h ALA 529 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xsi h ALA 529 CO -0.03 -0.17 0.03 0.35 0.00 0.00 0.00 179.25 179.43 1xsi h PHE 530 N 0.39 0.09 -0.33 0.00 3.57 -1.16 -2.47 116.94 117.03 1xsi h PHE 530 Ca 0.14 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1xsi h PHE 530 Cb 0.03 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1xsi h PHE 530 CO -0.08 0.14 -0.03 0.78 -2.23 0.00 0.00 178.31 176.89 1xsi h GLY 531 N 0.01 0.56 1.61 2.40 0.00 -0.75 -2.56 103.07 104.33 1xsi h GLY 531 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1xsi h GLY 531 CO -0.00 0.32 -0.26 1.04 0.00 0.00 0.00 176.54 177.63 1xsi n LEU 532 N -4.26 0.60 -1.79 3.11 7.99 -0.70 -2.73 117.00 119.22 1xsi n LEU 532 Ca 0.01 0.38 -0.11 0.00 -0.01 0.00 0.00 56.01 56.29 1xsi n LEU 532 Cb 0.26 -0.30 0.23 0.00 -0.11 0.00 0.00 43.42 43.51 1xsi n LEU 532 CO 0.39 -0.07 1.02 0.18 -1.51 0.00 0.00 177.39 177.40 1xsi n LEU 533 N -1.99 5.67 -4.69 2.23 7.99 -0.94 -4.68 117.00 120.59 1xsi n LEU 533 Ca 0.05 -3.48 -0.23 0.00 -0.01 0.00 0.00 56.01 52.34 1xsi n LEU 533 Cb 0.41 -0.74 -0.07 0.00 -0.11 0.00 0.00 43.42 42.91 1xsi n LEU 533 CO 0.32 0.99 -0.25 -0.44 -1.51 0.00 0.00 177.39 176.50 1xsi s SER 534 N -1.57 4.52 0.22 -1.43 0.01 -1.03 -4.95 113.70 109.47 1xsi s SER 534 Ca 0.52 -0.81 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 1xsi s SER 534 Cb 0.44 -0.70 0.28 0.00 0.21 0.00 0.00 66.02 66.25 1xsi s SER 534 CO 0.09 -0.22 1.83 0.77 0.41 0.00 0.00 173.24 176.11 1xsi h SER 535 N 1.69 0.67 -3.63 2.44 4.64 -1.86 -3.41 113.55 114.08 1xsi h SER 535 Ca -0.44 0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.44 1xsi h SER 535 Cb 1.25 -0.11 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 1xsi h SER 535 CO 0.64 0.43 -0.80 -1.00 -0.87 0.00 0.00 176.83 175.23 1xsi s HIS 536 N -6.08 1.15 -0.16 4.77 3.76 -1.19 -4.75 115.29 112.79 1xsi s HIS 536 Ca -0.13 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1xsi s HIS 536 Cb 0.17 -0.85 0.03 0.00 1.11 0.00 0.00 32.58 33.04 1xsi s HIS 536 CO 0.77 -0.18 -0.13 -1.12 -0.85 0.00 0.00 174.74 173.24 1xsi s SER 537 N 0.46 2.88 -0.03 1.40 0.01 -1.26 -4.29 113.70 112.87 1xsi s SER 537 Ca -0.09 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1xsi s SER 537 Cb -0.12 -1.18 0.03 0.00 0.21 0.00 0.00 66.02 64.95 1xsi s SER 537 CO 0.02 -0.09 0.01 -0.60 0.41 0.00 0.00 173.24 172.99 1xsi s ARG 538 N 1.47 0.27 -0.34 12.44 3.52 -1.26 -0.71 118.95 134.34 1xsi s ARG 538 Ca 0.03 0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.53 1xsi s ARG 538 Cb -0.14 -0.50 0.00 0.00 -1.56 0.00 0.00 34.95 32.76 1xsi s ARG 538 CO -0.10 -0.16 0.65 -0.51 -0.81 0.00 0.00 175.30 174.37 1xsi s LEU 539 N 1.16 4.21 -0.19 -0.88 1.43 -0.13 -1.16 118.68 123.12 1xsi s LEU 539 Ca -0.08 0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 1xsi s LEU 539 Cb -0.13 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.33 1xsi s LEU 539 CO -0.02 -0.58 0.63 -2.28 0.23 0.00 0.00 176.35 174.34 1xsi s HIS 540 N 2.72 -0.67 0.25 0.29 2.46 -1.26 -1.04 115.29 118.04 1xsi s HIS 540 Ca 0.25 1.51 -0.12 0.00 0.47 0.00 0.00 55.06 57.17 1xsi s HIS 540 Cb -0.14 0.27 -0.01 0.00 -0.13 0.00 0.00 32.58 32.57 1xsi s HIS 540 CO 0.14 -0.40 0.47 0.20 -2.47 0.00 0.00 174.74 172.67 1xsi s GLY 541 N -0.10 0.61 -0.12 1.59 0.00 -1.26 -4.40 107.32 103.63 1xsi s GLY 541 Ca -0.03 -0.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 1xsi s GLY 541 CO 0.03 -0.67 -0.02 0.23 0.00 0.00 0.00 173.10 172.67 1xsi h SER 542 N 2.26 0.00 0.00 1.64 0.87 -0.20 -1.88 113.55 116.24 1xsi h SER 542 Ca -0.27 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1xsi h SER 542 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1xsi h SER 542 CO 0.36 0.66 -0.43 0.29 -0.53 0.00 0.00 176.83 177.18 1xsi n LYS 543 N -4.69 4.33 -4.16 2.24 5.02 -1.26 -0.69 118.16 118.95 1xsi n LYS 543 Ca -0.05 -0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.11 1xsi n LYS 543 Cb 0.15 -0.81 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.69 1.21 0.80 4.39 1.04 -1.26 -4.60 113.70 113.59 1xsi s SER 544 Ca 0.01 -0.88 -0.10 0.00 0.48 0.00 0.00 55.95 55.46 1xsi s SER 544 Cb 0.04 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.29 1xsi s SER 544 CO 0.21 -0.36 1.10 -0.31 0.98 0.00 0.00 173.24 174.85 1xsi s TYR 545 N -2.93 2.42 -0.20 5.02 2.02 -1.26 -4.37 117.35 118.05 1xsi s TYR 545 Ca 0.07 1.58 0.08 0.00 -0.37 0.00 0.00 57.07 58.43 1xsi s TYR 545 Cb 0.00 -3.10 0.16 0.00 -0.40 0.00 0.00 41.96 38.63 1xsi s TYR 545 CO -0.02 -1.98 1.11 0.54 -1.57 0.00 0.00 175.55 173.63 1xsi n ARG 546 N -3.65 2.58 -1.97 -0.62 5.12 -1.26 -4.94 116.66 111.92 1xsi n ARG 546 Ca 0.09 -1.95 -0.42 0.00 -1.93 0.00 0.00 57.85 53.65 1xsi n ARG 546 Cb 0.53 -1.23 -0.02 0.00 -1.16 0.00 0.00 32.46 30.58 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 -1.58 2.59 0.31 1.55 -7.23 -1.26 -4.89 120.40 109.89 1xsi s VAL 547 Ca 0.15 0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 60.78 1xsi s VAL 547 Cb 0.11 -3.30 0.26 0.00 0.56 0.00 0.00 36.38 34.01 1xsi s VAL 547 CO 0.04 0.07 1.97 1.55 -0.31 0.00 0.00 175.10 178.42 1xsi h PRO 548 N 5.50 1.05 -0.07 4.82 0.13 -1.94 -2.24 132.00 139.24 1xsi h PRO 548 Ca -0.45 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1xsi h PRO 548 Cb 1.21 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xsi h PRO 548 CO 0.82 0.69 0.13 0.11 -0.23 0.00 0.00 178.00 179.51 1xsi h TRP 549 N 1.08 0.00 0.00 1.56 0.09 -1.92 -0.12 115.95 116.65 1xsi h TRP 549 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.28 1xsi h TRP 549 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.14 1xsi h TRP 549 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1xsi h ALA 550 N 1.81 1.00 0.00 0.11 0.00 -1.79 -3.33 119.26 117.05 1xsi h ALA 550 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xsi h ALA 550 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xsi h ALA 550 CO -0.00 0.00 -0.41 0.66 0.00 0.00 0.00 179.25 179.50 1xsi n TYR 551 N -2.46 0.29 -3.75 0.00 4.02 -0.06 -5.07 117.16 110.12 1xsi n TYR 551 Ca 0.02 0.12 -0.06 0.00 -0.01 0.00 0.00 57.90 57.97 1xsi n TYR 551 Cb 0.24 -0.42 0.02 0.00 -0.02 0.00 0.00 39.34 39.16 1xsi n TYR 551 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1xsi n ASP 552 N -3.59 -1.85 -0.09 7.72 5.68 -1.21 -4.80 116.55 118.41 1xsi n ASP 552 Ca -0.06 -2.18 -0.10 0.00 -0.50 0.00 0.00 54.79 51.94 1xsi n ASP 552 Cb 0.21 3.06 -0.03 0.00 -1.14 0.00 0.00 41.12 43.22 1xsi n ASP 552 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1xsi h ASP 553 N 1.75 0.41 -0.79 -1.12 3.32 -1.87 -3.00 116.42 115.11 1xsi h ASP 553 Ca -0.28 -0.21 0.08 0.00 0.02 0.00 0.00 57.03 56.64 1xsi h ASP 553 Cb 1.08 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 1xsi h ASP 553 CO 0.36 0.51 0.52 -0.08 -1.72 0.00 0.00 179.24 178.83 1xsi h GLU 554 N 0.28 0.78 -0.65 3.56 4.81 -1.97 -1.65 114.58 119.73 1xsi h GLU 554 Ca 0.09 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1xsi h GLU 554 Cb 0.26 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1xsi h GLU 554 CO -0.00 0.51 0.44 0.77 -0.73 0.00 0.00 179.01 180.00 1xsi h SER 555 N 0.80 0.37 -0.37 1.04 0.02 -1.81 0.99 113.55 114.60 1xsi h SER 555 Ca 0.35 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1xsi h SER 555 Cb 0.32 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1xsi h SER 555 CO -0.13 0.22 0.06 0.00 -1.14 0.00 0.00 176.83 175.83 1xsi h ASP 557 N 0.67 0.18 -0.00 0.00 3.32 -0.84 -1.71 116.42 118.04 1xsi h ASP 557 Ca 0.14 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xsi h ASP 557 Cb 0.34 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1xsi h ASP 557 CO 0.01 0.74 -0.00 0.58 -1.72 0.00 0.00 179.24 178.84 1xsi h VAL 558 N 0.12 1.42 -0.88 -1.35 2.07 -1.04 0.36 116.25 116.95 1xsi h VAL 558 Ca -0.01 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.32 1xsi h VAL 558 Cb 1.10 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 1xsi h VAL 558 CO 0.09 0.33 0.55 0.58 0.02 0.00 0.00 177.57 179.14 1xsi h VAL 559 N -0.52 1.08 0.19 2.57 2.07 -1.31 -1.15 116.25 119.18 1xsi h VAL 559 Ca 0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1xsi h VAL 559 Cb 0.53 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1xsi h VAL 559 CO 0.00 0.19 -0.09 -0.09 0.02 0.00 0.00 177.57 177.60 1xsi h ARG 560 N 1.03 -0.24 -0.17 1.57 2.43 -1.14 0.03 114.38 117.89 1xsi h ARG 560 Ca 0.37 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.58 1xsi h ARG 560 Cb 0.11 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1xsi h ARG 560 CO -0.15 0.05 0.01 0.35 -1.51 0.00 0.00 179.97 178.72 1xsi h PHE 561 N -0.55 0.00 -0.01 2.20 3.04 -0.74 -0.42 116.94 120.47 1xsi h PHE 561 Ca -0.03 0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.79 1xsi h PHE 561 Cb 0.41 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 1xsi h PHE 561 CO 0.02 -0.02 -0.68 0.74 -2.02 0.00 0.00 178.31 176.36 1xsi h PHE 562 N 0.06 0.07 -0.08 0.41 0.04 -1.21 -1.31 116.94 114.92 1xsi h PHE 562 Ca 0.08 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1xsi h PHE 562 Cb 0.09 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1xsi h PHE 562 CO -0.16 0.71 -0.03 1.15 -0.60 0.00 0.00 178.31 179.38 1xsi h THR 563 N 0.04 1.31 -0.57 -1.55 2.02 -0.75 -1.44 112.91 111.96 1xsi h THR 563 Ca -0.01 -1.00 0.10 0.00 0.77 0.00 0.00 66.41 66.27 1xsi h THR 563 Cb 1.20 1.82 -0.08 0.00 -1.74 0.00 0.00 68.15 69.35 1xsi h THR 563 CO 0.09 0.28 0.14 1.56 0.37 0.00 0.00 175.52 177.96 1xsi h GLN 564 N -0.20 0.27 0.28 6.66 4.20 -1.05 -1.09 115.11 124.18 1xsi h GLN 564 Ca 0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xsi h GLN 564 Cb 0.46 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1xsi h GLN 564 CO 0.01 0.18 -0.21 1.25 -0.67 0.00 0.00 178.83 179.39 1xsi h LEU 565 N 0.28 -0.53 -0.58 1.46 5.85 -1.12 -1.30 115.31 119.36 1xsi h LEU 565 Ca 0.30 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1xsi h LEU 565 Cb 0.42 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1xsi h LEU 565 CO -0.37 -0.32 0.23 0.50 -0.34 0.00 0.00 178.44 178.14 1xsi h LYS 566 N -0.49 0.41 -0.61 1.25 3.64 -1.09 0.72 116.57 120.39 1xsi h LYS 566 Ca -0.02 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1xsi h LYS 566 Cb 0.42 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1xsi h LYS 566 CO -0.00 0.27 0.40 0.00 -2.27 0.00 0.00 179.45 177.85 1xsi h ARG 568 N 0.77 0.00 0.00 0.00 3.08 -0.07 -2.93 114.38 115.23 1xsi h ARG 568 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1xsi h ARG 568 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1xsi h ARG 568 CO -0.06 0.58 0.00 -1.33 -1.07 0.00 0.00 179.97 178.09 1xsi n MET 569 N -3.67 0.20 -0.29 0.04 2.81 0.13 -0.37 117.12 115.97 1xsi n MET 569 Ca -0.01 0.11 0.06 0.00 -1.81 0.00 0.00 57.70 56.05 1xsi n MET 569 Cb 0.62 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.92 -0.98 0.03 2.86 -1.35 0.17 114.93 116.59 1xsi h MET 570 Ca 0.00 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1xsi h MET 570 Cb 0.25 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 1xsi h MET 570 CO 0.00 0.61 0.63 -1.35 1.06 0.00 0.00 176.91 177.86 1xsi h PRO 571 N 0.95 1.10 0.13 -0.22 0.11 -1.77 0.20 132.00 132.51 1xsi h PRO 571 Ca 0.40 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1xsi h PRO 571 Cb 0.31 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1xsi h PRO 571 CO -0.16 0.73 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.37 1xsi h TYR 572 N 1.13 -0.16 -0.28 0.65 3.20 -1.07 -3.30 116.97 117.14 1xsi h TYR 572 Ca 0.43 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.36 1xsi h TYR 572 Cb 0.19 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1xsi h TYR 572 CO -0.01 0.29 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.60 1xsi h LEU 573 N -0.89 -0.45 -1.59 2.82 4.07 -0.48 -2.36 115.31 116.43 1xsi h LEU 573 Ca -0.02 0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1xsi h LEU 573 Cb 0.53 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1xsi h LEU 573 CO 0.03 -0.17 -0.00 0.22 -1.08 0.00 0.00 178.44 177.44 1xsi h TYR 574 N -0.09 0.26 -0.46 1.13 3.20 -0.77 0.36 116.97 120.59 1xsi h TYR 574 Ca 0.15 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 1xsi h TYR 574 Cb 0.32 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1xsi h TYR 574 CO -0.33 0.27 -0.11 -0.09 -1.64 0.00 0.00 178.16 176.26 1xsi h ARG 575 N 0.25 0.84 -0.13 1.82 9.65 -1.53 -1.24 114.38 124.04 1xsi h ARG 575 Ca 0.06 -0.29 -0.13 0.00 -1.10 0.00 0.00 59.98 58.52 1xsi h ARG 575 Cb 0.18 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1xsi h ARG 575 CO 0.00 0.92 -0.47 0.93 2.80 0.00 0.00 179.97 184.15 1xsi h GLU 576 N 0.76 0.33 -0.25 0.20 4.39 -0.80 -2.52 114.58 116.68 1xsi h GLU 576 Ca 0.12 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1xsi h GLU 576 Cb 0.62 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1xsi h GLU 576 CO 0.04 0.74 -0.14 0.00 -1.16 0.00 0.00 179.01 178.49 1xsi h ALA 577 N 1.23 1.29 -0.25 3.43 0.00 -0.66 -2.23 119.26 122.08 1xsi h ALA 577 Ca 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1xsi h ALA 577 Cb 0.93 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xsi h ALA 577 CO 0.08 0.47 -0.05 0.00 0.00 0.00 0.00 179.25 179.75 1xsi h ALA 578 N 1.46 1.45 -0.49 0.00 0.00 -0.82 -2.24 119.26 118.63 1xsi h ALA 578 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1xsi h ALA 578 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xsi h ALA 578 CO 0.03 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.69 1xsi h ARG 579 N 0.37 0.79 -0.50 0.00 3.08 -1.08 -0.29 114.38 116.76 1xsi h ARG 579 Ca 0.08 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1xsi h ARG 579 Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1xsi h ARG 579 CO 0.01 0.78 0.26 0.00 -1.07 0.00 0.00 179.97 179.95 1xsi h ALA 580 N 1.28 0.64 -0.34 0.04 0.00 -1.03 -0.54 119.26 119.32 1xsi h ALA 580 Ca 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xsi h ALA 580 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xsi h ALA 580 CO 0.02 0.18 0.01 -0.97 0.00 0.00 0.00 179.25 178.49 1xsi h ASN 581 N 0.66 0.57 0.32 0.00 -0.73 -1.22 0.14 115.58 115.32 1xsi h ASN 581 Ca 0.17 -0.30 -0.22 0.00 1.87 0.00 0.00 56.30 57.83 1xsi h ASN 581 Cb 0.09 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.52 1xsi h ASN 581 CO -0.02 0.73 -0.90 0.00 -0.37 0.00 0.00 177.43 176.86 1xsi h ALA 582 N 0.86 0.40 0.00 1.57 0.00 -1.07 -3.40 119.26 117.63 1xsi h ALA 582 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xsi h ALA 582 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xsi h ALA 582 CO 0.01 0.81 0.00 0.54 0.00 0.00 0.00 179.25 180.61 1xsi n ARG 583 N -3.76 -0.31 -1.33 0.00 1.74 -0.21 -5.00 116.66 107.79 1xsi n ARG 583 Ca -0.06 -0.39 -0.11 0.00 -0.77 0.00 0.00 57.85 56.52 1xsi n ARG 583 Cb 0.81 -0.79 -0.05 0.00 -1.02 0.00 0.00 32.46 31.41 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 -0.03 1.21 3.59 -0.13 0.00 0.48 -3.29 105.19 107.02 1xsi n GLY 584 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.27 4.06 0.73 2.61 2.01 -1.21 -4.79 115.64 116.78 1xsi s THR 585 Ca 0.00 1.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.90 1xsi s THR 585 Cb 0.00 -4.52 0.04 0.00 0.01 0.00 0.00 72.50 68.03 1xsi s THR 585 CO 0.00 -1.02 1.18 -2.16 -0.69 0.00 0.00 174.62 171.93 1xsi s PRO 586 N 4.75 2.21 0.14 4.92 0.04 -1.26 -2.79 135.00 143.01 1xsi s PRO 586 Ca 0.51 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 63.07 1xsi s PRO 586 Cb -0.09 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1xsi s PRO 586 CO 0.31 -1.76 1.62 0.52 0.04 0.00 0.00 177.00 177.73 1xsi h MET 587 N -0.34 0.75 -4.93 4.56 2.86 -1.75 -3.41 114.93 112.69 1xsi h MET 587 Ca -0.47 -0.20 -0.69 0.00 -2.06 0.00 0.00 59.70 56.28 1xsi h MET 587 Cb 1.28 -0.09 -0.18 0.00 0.06 0.00 0.00 31.60 32.67 1xsi h MET 587 CO 0.50 0.77 -0.08 1.41 1.06 0.00 0.00 176.91 180.57 1xsi s MET 588 N -5.20 3.12 -0.09 1.72 -2.45 -1.26 0.36 119.30 115.51 1xsi s MET 588 Ca -0.13 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 53.53 1xsi s MET 588 Cb 0.11 -4.02 -0.02 0.00 1.25 0.00 0.00 34.83 32.14 1xsi s MET 588 CO 0.79 -1.02 -0.14 1.03 1.05 0.00 0.00 175.02 176.73 1xsi s ARG 589 N 2.36 2.89 0.53 4.11 0.52 0.69 -4.75 118.95 125.30 1xsi s ARG 589 Ca 0.14 -0.71 -0.22 0.00 -0.52 0.00 0.00 55.73 54.42 1xsi s ARG 589 Cb -0.18 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 1xsi s ARG 589 CO 0.13 0.43 1.37 0.00 0.02 0.00 0.00 175.30 177.25 1xsi s ALA 590 N -0.22 2.90 0.39 2.13 0.00 -1.26 -0.11 121.76 125.58 1xsi s ALA 590 Ca 0.00 1.37 0.10 0.00 0.00 0.00 0.00 51.96 53.43 1xsi s ALA 590 Cb -0.13 -3.58 0.88 0.00 0.00 0.00 0.00 23.12 20.29 1xsi s ALA 590 CO 0.03 -1.35 1.93 0.52 0.00 0.00 0.00 175.76 176.89 1xsi h MET 591 N 1.62 0.58 0.00 0.00 0.00 -1.80 0.85 114.93 116.18 1xsi h MET 591 Ca -0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 59.70 59.12 1xsi h MET 591 Cb 1.29 -0.13 -0.00 0.00 0.00 0.00 0.00 31.60 32.76 1xsi h MET 591 CO 0.58 0.39 -0.16 0.00 0.00 0.00 0.00 176.91 177.71 1xsi h MET 592 N 0.60 0.00 0.20 1.72 -0.00 -1.82 0.34 114.93 115.97 1xsi h MET 592 Ca 0.35 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.73 1xsi h MET 592 Cb 0.54 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 32.17 1xsi h MET 592 CO -0.12 0.16 -1.38 1.98 -0.00 0.00 0.00 176.91 177.54 1xsi h MET 593 N 0.00 0.44 0.00 -0.10 1.85 -1.19 -3.12 114.93 112.81 1xsi h MET 593 Ca -0.00 -0.74 -0.20 0.00 -0.61 0.00 0.00 59.70 58.15 1xsi h MET 593 Cb 0.41 0.28 -0.03 0.00 0.43 0.00 0.00 31.60 32.69 1xsi h MET 593 CO 0.02 1.36 -1.01 1.49 -0.40 0.00 0.00 176.91 178.36 1xsi h GLU 594 N 0.12 0.00 -2.11 0.39 4.57 -1.30 -3.39 114.58 112.86 1xsi h GLU 594 Ca -0.21 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.39 1xsi h GLU 594 Cb 2.09 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 30.28 1xsi h GLU 594 CO 0.25 0.81 -0.85 1.19 -1.18 0.00 0.00 179.01 179.23 1xsi n PHE 595 N -3.27 1.63 0.29 0.92 3.01 0.09 -4.95 117.46 115.18 1xsi n PHE 595 Ca -0.02 -3.86 0.18 0.00 1.01 0.00 0.00 57.45 54.76 1xsi n PHE 595 Cb 0.91 -0.45 0.79 0.00 -0.01 0.00 0.00 39.48 40.72 1xsi n PHE 595 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xsi h PRO 596 N 4.11 0.00 -0.01 -1.08 0.13 -1.74 -2.47 132.00 130.94 1xsi h PRO 596 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xsi h PRO 596 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1xsi h PRO 596 CO 0.65 0.00 -0.19 -0.25 -0.23 0.00 0.00 178.00 177.98 1xsi n ASP 597 N -3.08 1.02 -4.45 1.44 8.00 -1.26 -4.81 116.55 113.40 1xsi n ASP 597 Ca -0.00 -0.95 -0.44 0.00 0.71 0.00 0.00 54.79 54.12 1xsi n ASP 597 Cb 0.26 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.41 6.23 0.38 -2.24 -1.08 -0.93 -4.91 116.67 111.71 1xsi s ASP 598 Ca 0.27 -0.89 0.24 0.00 -0.52 0.00 0.00 52.55 51.66 1xsi s ASP 598 Cb 0.20 -2.30 1.31 0.00 -1.46 0.00 0.00 42.92 40.66 1xsi s ASP 598 CO 0.48 -0.92 1.73 1.55 0.52 0.00 0.00 175.17 178.53 1xsi h PRO 599 N 9.02 0.00 0.00 4.34 0.13 -1.88 -0.83 132.00 142.78 1xsi h PRO 599 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 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 0.98 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.72 1xsi n ALA 600 N -1.80 2.32 1.45 -0.56 0.00 -1.26 -3.80 120.51 116.87 1xsi n ALA 600 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1xsi n ALA 600 Cb 0.08 -1.46 0.50 0.00 0.00 0.00 0.00 19.45 18.57 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 2.43 0.89 -0.26 0.00 3.32 -1.74 -3.23 116.42 117.84 1xsi h ASP 602 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1xsi h ASP 602 Cb 0.52 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1xsi h ASP 602 CO 0.00 1.05 0.00 -1.22 -1.72 0.00 0.00 179.24 177.35 1xsi n TYR 603 N -4.25 0.33 -1.85 4.55 4.01 -1.26 -4.88 117.16 113.82 1xsi n TYR 603 Ca -0.00 -0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.08 1xsi n TYR 603 Cb 0.39 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.23 4.17 0.00 7.72 1.43 -1.22 -4.82 118.68 124.73 1xsi s LEU 604 Ca 0.27 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 1xsi s LEU 604 Cb 0.16 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1xsi s LEU 604 CO 0.23 -1.17 0.29 -0.90 0.23 0.00 0.00 176.35 175.03 1xsi n ASP 605 N 8.13 0.00 -0.47 2.29 3.85 -1.26 -4.44 116.55 124.66 1xsi n ASP 605 Ca 0.20 -1.00 0.05 0.00 -0.71 0.00 0.00 54.79 53.33 1xsi n ASP 605 Cb 0.43 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.27 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 0.00 1.07 -4.21 0.11 1.74 -1.26 -4.56 116.66 109.54 1xsi n ARG 606 Ca 0.00 -1.35 -0.14 0.00 -0.77 0.00 0.00 57.85 55.58 1xsi n ARG 606 Cb 0.40 -1.22 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.91 1.43 0.27 5.56 -2.07 -1.26 -4.03 119.66 118.65 1xsi s GLN 607 Ca 0.15 -1.75 -0.21 0.00 -1.82 0.00 0.00 55.36 51.73 1xsi s GLN 607 Cb 0.09 0.31 0.03 0.00 -1.09 0.00 0.00 33.01 32.35 1xsi s GLN 607 CO 0.14 -0.51 0.78 1.52 -1.32 0.00 0.00 175.29 175.90 1xsi s TYR 608 N -3.86 -0.14 -0.16 9.60 -0.85 -0.61 -4.55 117.35 116.77 1xsi s TYR 608 Ca 0.38 -0.31 -0.12 0.00 -0.52 0.00 0.00 57.07 56.51 1xsi s TYR 608 Cb 0.05 0.71 -0.05 0.00 0.38 0.00 0.00 41.96 43.05 1xsi s TYR 608 CO 0.17 -1.19 0.22 -1.64 -1.52 0.00 0.00 175.55 171.59 1xsi s MET 609 N -3.60 4.11 -0.57 -3.49 -1.94 0.84 -1.20 119.30 113.45 1xsi s MET 609 Ca 0.12 -0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 53.91 1xsi s MET 609 Cb -0.05 -3.38 0.14 0.00 2.01 0.00 0.00 34.83 33.55 1xsi s MET 609 CO 0.07 0.35 0.52 -1.17 -0.01 0.00 0.00 175.02 174.78 1xsi s LEU 610 N 0.17 6.23 0.00 -0.03 2.96 0.40 -0.22 118.68 128.18 1xsi s LEU 610 Ca 0.13 -1.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.13 1xsi s LEU 610 Cb -0.12 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1xsi s LEU 610 CO 0.02 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 174.85 1xsi n GLY 611 N 5.06 -1.73 0.31 7.98 0.00 0.16 -3.69 105.19 113.28 1xsi n GLY 611 Ca -0.10 -1.29 0.03 0.00 0.00 0.00 0.00 46.02 44.66 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 0.54 0.00 1.61 3.32 -1.92 -3.38 116.42 116.58 1xsi h ASP 612 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1xsi h ASP 612 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1xsi h ASP 612 CO 0.00 0.41 -0.31 0.59 -1.72 0.00 0.00 179.24 178.21 1xsi n ASN 613 N -4.45 1.11 -4.15 6.45 3.02 -1.26 -4.99 115.26 110.99 1xsi n ASN 613 Ca 0.04 -0.42 -0.31 0.00 -0.03 0.00 0.00 54.58 53.87 1xsi n ASN 613 Cb 0.07 1.02 -0.17 0.00 -0.61 0.00 0.00 39.78 40.09 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 -1.38 1.85 -0.18 2.41 0.11 -1.24 -1.72 120.40 120.24 1xsi s VAL 614 Ca 0.00 -0.87 -0.13 0.00 -2.93 0.00 0.00 61.98 58.05 1xsi s VAL 614 Cb 0.01 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 1xsi s VAL 614 CO 0.07 0.51 0.27 -0.32 -3.33 0.00 0.00 175.10 172.30 1xsi s MET 615 N 0.66 4.21 -0.05 1.54 1.75 0.32 -0.45 119.30 127.29 1xsi s MET 615 Ca -0.12 0.02 0.05 0.00 -1.25 0.00 0.00 55.69 54.39 1xsi s MET 615 Cb -0.16 -3.46 -0.01 0.00 2.84 0.00 0.00 34.83 34.05 1xsi s MET 615 CO 0.03 0.18 -0.20 0.14 -0.65 0.00 0.00 175.02 174.52 1xsi s VAL 616 N 0.66 1.65 -0.36 10.11 -7.23 -0.34 -0.59 120.40 124.30 1xsi s VAL 616 Ca 0.14 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 1xsi s VAL 616 Cb -0.13 -1.41 0.11 0.00 0.56 0.00 0.00 36.38 35.51 1xsi s VAL 616 CO 0.04 0.47 0.13 0.00 -0.31 0.00 0.00 175.10 175.43 1xsi s ALA 617 N -0.03 1.98 0.59 1.32 0.00 -0.76 -1.58 121.76 123.29 1xsi s ALA 617 Ca -0.04 -2.12 -0.18 0.00 0.00 0.00 0.00 51.96 49.62 1xsi s ALA 617 Cb -0.12 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 1xsi s ALA 617 CO 0.03 -1.79 0.78 -2.30 0.00 0.00 0.00 175.76 172.47 1xsi n PRO 618 N 4.34 0.71 -3.50 0.00 -0.02 -1.26 -3.85 135.00 131.42 1xsi n PRO 618 Ca 0.02 0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 61.41 1xsi n PRO 618 Cb 0.40 -1.97 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.60 5.28 -0.22 -1.45 1.01 -1.26 -4.97 120.40 117.18 1xsi s VAL 619 Ca 0.73 0.54 0.14 0.00 0.00 0.00 0.00 61.98 63.39 1xsi s VAL 619 Cb -0.43 -3.64 0.48 0.00 0.00 0.00 0.00 36.38 32.79 1xsi s VAL 619 CO 0.50 0.33 1.38 0.49 0.00 0.00 0.00 175.10 177.80 1xsi n PHE 620 N 4.07 0.79 -3.91 5.22 3.72 -1.26 -4.80 117.46 121.29 1xsi n PHE 620 Ca -0.11 -1.22 -0.12 0.00 -0.05 0.00 0.00 57.45 55.95 1xsi n PHE 620 Cb 0.52 -0.35 -0.13 0.00 -0.94 0.00 0.00 39.48 38.57 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 -3.03 0.05 0.16 4.37 -4.23 -1.26 -4.89 115.64 106.80 1xsi s THR 621 Ca 0.41 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 1xsi s THR 621 Cb 0.36 -0.08 0.07 0.00 1.34 0.00 0.00 72.50 74.19 1xsi s THR 621 CO 0.03 -0.09 1.67 -0.08 -0.54 0.00 0.00 174.62 175.62 1xsi h GLU 622 N 5.85 -0.00 0.00 3.99 4.81 -1.93 -1.82 114.58 125.47 1xsi h GLU 622 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1xsi h GLU 622 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1xsi h GLU 622 CO 0.49 -0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.77 1xsi n ALA 623 N -2.66 1.38 -0.39 2.92 0.00 -1.26 -4.85 120.51 115.66 1xsi n ALA 623 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xsi n ALA 623 Cb 0.20 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1xsi n ALA 623 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsi n GLY 624 N -0.60 0.71 3.75 0.00 0.00 -0.69 -4.68 105.19 103.69 1xsi n GLY 624 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.85 6.61 -0.13 1.61 1.01 -1.26 -0.89 116.67 120.76 1xsi s ASP 625 Ca 0.00 2.72 -0.13 0.00 0.71 0.00 0.00 52.55 55.85 1xsi s ASP 625 Cb 0.00 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.34 1xsi s ASP 625 CO 0.00 -0.73 0.36 0.54 0.21 0.00 0.00 175.17 175.55 1xsi s VAL 626 N -0.07 0.00 -0.01 -1.27 0.11 -0.32 -4.43 120.40 114.41 1xsi s VAL 626 Ca 0.59 -0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.70 1xsi s VAL 626 Cb -0.43 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1xsi s VAL 626 CO 0.45 -0.01 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.88 1xsi s GLN 627 N 0.14 2.12 0.07 1.54 -0.21 -1.26 -0.86 119.66 121.21 1xsi s GLN 627 Ca -0.00 -0.92 -0.19 0.00 0.02 0.00 0.00 55.36 54.26 1xsi s GLN 627 Cb -0.03 -2.11 0.04 0.00 1.00 0.00 0.00 33.01 31.92 1xsi s GLN 627 CO 0.01 0.56 0.44 -0.59 -2.12 0.00 0.00 175.29 173.59 1xsi s PHE 628 N -0.70 -0.30 -0.13 0.91 -0.12 -0.49 -4.95 117.98 112.20 1xsi s PHE 628 Ca 0.11 0.19 -0.07 0.00 -0.05 0.00 0.00 56.93 57.11 1xsi s PHE 628 Cb -0.10 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1xsi s PHE 628 CO 0.00 -0.64 0.13 -0.47 -0.05 0.00 0.00 175.22 174.19 1xsi s TYR 629 N -2.92 3.55 -0.13 3.49 5.04 -1.26 -0.03 117.35 125.09 1xsi s TYR 629 Ca -0.03 0.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.10 1xsi s TYR 629 Cb 0.00 -1.95 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 1xsi s TYR 629 CO -0.06 0.67 -0.18 -0.51 -1.34 0.00 0.00 175.55 174.14 1xsi s LEU 630 N -0.88 2.38 1.25 6.97 1.02 -0.39 -4.99 118.68 124.02 1xsi s LEU 630 Ca 0.14 -0.48 -0.18 0.00 0.02 0.00 0.00 54.13 53.63 1xsi s LEU 630 Cb -0.12 -1.52 0.30 0.00 0.02 0.00 0.00 46.19 44.88 1xsi s LEU 630 CO 0.03 0.12 1.02 -2.84 0.02 0.00 0.00 176.35 174.71 1xsi s PRO 631 N 0.59 -1.55 0.25 1.29 0.02 -1.26 0.23 135.00 134.56 1xsi s PRO 631 Ca -0.10 0.32 -0.30 0.00 0.02 0.00 0.00 61.00 60.94 1xsi s PRO 631 Cb -0.16 -1.52 -0.15 0.00 0.02 0.00 0.00 34.50 32.69 1xsi s PRO 631 CO 0.03 -4.01 1.05 -1.91 -0.33 0.00 0.00 177.00 171.83 1xsi n GLU 632 N -5.04 1.26 0.00 5.54 2.13 -1.26 -1.59 120.64 121.67 1xsi n GLU 632 Ca 0.09 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1xsi n GLU 632 Cb 0.58 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.44 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 1.55 2.88 3.52 8.31 0.00 -1.26 -4.80 105.19 115.38 1xsi n GLY 633 Ca 0.12 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 3.41 -0.00 1.61 3.52 -1.26 0.17 118.95 124.38 1xsi s ARG 634 Ca 0.00 -0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 54.87 1xsi s ARG 634 Cb 0.00 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1xsi s ARG 634 CO 0.00 -0.49 0.17 -1.58 -0.81 0.00 0.00 175.30 172.59 1xsi s TRP 635 N 1.71 3.52 -0.10 5.12 0.52 0.12 -3.12 118.94 126.70 1xsi s TRP 635 Ca 0.06 0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.53 1xsi s TRP 635 Cb -0.18 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.35 1xsi s TRP 635 CO 0.10 0.63 -0.14 0.99 0.02 0.00 0.00 176.95 178.56 1xsi s THR 636 N -1.32 1.40 0.18 2.01 2.01 -0.55 0.09 115.64 119.46 1xsi s THR 636 Ca 0.27 -0.58 -0.32 0.00 0.31 0.00 0.00 61.69 61.37 1xsi s THR 636 Cb -0.13 -1.29 -0.12 0.00 0.01 0.00 0.00 72.50 70.98 1xsi s THR 636 CO 0.19 0.42 1.73 1.57 -0.69 0.00 0.00 174.62 177.83 1xsi n HIS 637 N 4.21 2.65 -0.30 4.92 -0.00 0.10 -0.18 115.22 126.62 1xsi n HIS 637 Ca -0.19 0.04 0.12 0.00 0.46 0.00 0.00 57.72 58.15 1xsi n HIS 637 Cb 0.51 -2.67 0.30 0.00 -0.12 0.00 0.00 29.99 28.01 1xsi n HIS 637 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1xsi h LEU 638 N 7.00 0.31 0.00 0.27 5.85 -0.98 -2.03 115.31 125.73 1xsi h LEU 638 Ca -0.44 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1xsi h LEU 638 Cb 1.21 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1xsi h LEU 638 CO 0.94 0.00 -0.96 -2.67 -0.34 0.00 0.00 178.44 175.42 1xsi n TRP 639 N -5.05 0.00 0.21 1.25 2.14 -1.26 -4.69 117.44 110.04 1xsi n TRP 639 Ca 0.21 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.88 1xsi n TRP 639 Cb 0.63 0.00 0.38 0.00 -0.81 0.00 0.00 31.31 31.51 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 -1.94 -3.47 115.15 110.93 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 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1xsi h HIS 640 CO 0.00 0.23 0.00 -1.71 0.86 0.00 0.00 177.93 177.31 1xsi n ASN 641 N -3.31 -2.66 -4.78 2.45 5.15 -0.76 -4.97 115.26 106.36 1xsi n ASN 641 Ca 0.01 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.64 1xsi n ASN 641 Cb 0.48 -2.36 -0.01 0.00 -0.53 0.00 0.00 39.78 37.35 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 -2.12 6.00 0.09 1.20 -4.77 -1.26 -4.66 116.67 111.15 1xsi s ASP 642 Ca 0.00 2.12 0.07 0.00 -3.30 0.00 0.00 52.55 51.44 1xsi s ASP 642 Cb 0.00 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 1xsi s ASP 642 CO 0.00 -1.03 -0.12 -1.61 0.70 0.00 0.00 175.17 173.11 1xsi s GLU 643 N -3.16 2.10 0.00 2.11 2.02 -1.26 -0.72 118.70 119.79 1xsi s GLU 643 Ca 0.69 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1xsi s GLU 643 Cb -0.22 -2.28 -0.00 0.00 0.10 0.00 0.00 34.13 31.73 1xsi s GLU 643 CO 0.26 0.52 -0.01 -0.51 0.02 0.00 0.00 175.26 175.54 1xsi s LEU 644 N -2.04 2.02 0.15 1.80 1.43 0.11 -4.98 118.68 117.18 1xsi s LEU 644 Ca 0.20 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 1xsi s LEU 644 Cb -0.11 -0.02 -0.07 0.00 0.03 0.00 0.00 46.19 46.02 1xsi s LEU 644 CO 0.12 -0.02 0.95 -1.81 0.23 0.00 0.00 176.35 175.82 1xsi s ASP 645 N -0.13 7.54 0.71 2.29 1.01 -1.26 -0.71 116.67 126.12 1xsi s ASP 645 Ca -0.01 1.83 -0.03 0.00 0.71 0.00 0.00 52.55 55.05 1xsi s ASP 645 Cb -0.01 -2.59 0.09 0.00 1.01 0.00 0.00 42.92 41.41 1xsi s ASP 645 CO -0.00 0.01 0.55 0.61 0.21 0.00 0.00 175.17 176.55 1xsi n GLY 646 N 2.00 0.00 2.18 0.21 0.00 0.13 -4.59 105.19 105.12 1xsi n GLY 646 Ca 0.01 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 1xsi n GLY 646 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsi n SER 647 N -3.12 -3.20 -3.84 1.61 2.88 0.63 -4.71 113.62 103.87 1xsi n SER 647 Ca 0.08 0.04 -0.07 0.00 -1.33 0.00 0.00 58.87 57.59 1xsi n SER 647 Cb 0.29 -2.27 -0.02 0.00 -0.75 0.00 0.00 64.21 61.46 1xsi n SER 647 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsi s ARG 648 N -4.04 1.75 0.40 -1.46 1.70 -0.60 -4.93 118.95 111.76 1xsi s ARG 648 Ca 0.00 -0.97 -0.12 0.00 -0.47 0.00 0.00 55.73 54.17 1xsi s ARG 648 Cb 0.00 0.60 -0.07 0.00 -0.57 0.00 0.00 34.95 34.91 1xsi s ARG 648 CO 0.00 -0.80 0.78 -1.58 -1.08 0.00 0.00 175.30 172.62 1xsi s TRP 649 N -3.91 3.45 0.04 5.89 0.52 -1.26 -1.27 118.94 122.39 1xsi s TRP 649 Ca 0.11 1.11 0.01 0.00 0.02 0.00 0.00 56.10 57.35 1xsi s TRP 649 Cb -0.06 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.75 1xsi s TRP 649 CO 0.06 -0.08 -0.06 -1.01 0.02 0.00 0.00 176.95 175.88 1xsi s HIS 650 N -2.31 0.52 -0.10 -1.98 3.76 0.96 -4.94 115.29 111.20 1xsi s HIS 650 Ca 0.52 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1xsi s HIS 650 Cb -0.10 -0.33 0.01 0.00 1.11 0.00 0.00 32.58 33.27 1xsi s HIS 650 CO 0.28 -0.15 -0.18 0.21 -0.85 0.00 0.00 174.74 174.05 1xsi s LYS 651 N -1.82 2.49 0.24 1.40 2.20 -1.26 -1.40 119.74 121.59 1xsi s LYS 651 Ca -0.10 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1xsi s LYS 651 Cb -0.08 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 1xsi s LYS 651 CO -0.01 0.05 0.16 -0.65 -0.36 0.00 0.00 175.35 174.53 1xsi s GLN 652 N 0.67 1.37 -0.07 4.03 -0.21 -0.04 -5.00 119.66 120.42 1xsi s GLN 652 Ca -0.13 -1.75 0.02 0.00 0.02 0.00 0.00 55.36 53.52 1xsi s GLN 652 Cb -0.16 0.19 0.01 0.00 1.00 0.00 0.00 33.01 34.05 1xsi s GLN 652 CO 0.03 -0.44 -0.12 -1.14 -2.12 0.00 0.00 175.29 171.50 1xsi s GLN 653 N -3.97 1.74 -0.03 2.91 0.74 -1.26 -1.17 119.66 118.62 1xsi s GLN 653 Ca 0.39 -0.42 0.05 0.00 0.05 0.00 0.00 55.36 55.42 1xsi s GLN 653 Cb 0.06 -1.44 -0.01 0.00 1.10 0.00 0.00 33.01 32.72 1xsi s GLN 653 CO 0.16 0.02 -0.17 -1.01 -0.55 0.00 0.00 175.29 173.74 1xsi s HIS 654 N 0.70 1.66 0.94 1.67 3.76 -0.07 -4.96 115.29 118.98 1xsi s HIS 654 Ca -0.14 -0.43 -0.16 0.00 -0.15 0.00 0.00 55.06 54.19 1xsi s HIS 654 Cb -0.16 -1.10 0.22 0.00 1.11 0.00 0.00 32.58 32.65 1xsi s HIS 654 CO 0.03 -0.12 1.11 0.41 -0.85 0.00 0.00 174.74 175.32 1xsi n GLY 655 N 2.99 -1.88 0.10 -2.22 0.00 -1.26 -4.31 105.19 98.60 1xsi n GLY 655 Ca -0.17 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.33 1xsi n GLY 655 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xsi n PHE 656 N -3.94 0.67 0.55 1.61 3.72 -1.26 -1.27 117.46 117.54 1xsi n PHE 656 Ca 0.14 0.24 0.08 0.00 -0.05 0.00 0.00 57.45 57.86 1xsi n PHE 656 Cb 0.51 -0.89 0.23 0.00 -0.94 0.00 0.00 39.48 38.39 1xsi n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsi n LEU 657 N -2.09 2.51 -4.02 4.37 4.32 -1.26 -4.86 117.00 115.97 1xsi n LEU 657 Ca 0.03 -1.23 -0.08 0.00 -0.02 0.00 0.00 56.01 54.72 1xsi n LEU 657 Cb 0.28 -0.29 -0.10 0.00 -1.62 0.00 0.00 43.42 41.69 1xsi n LEU 657 CO 0.22 0.61 -0.30 -0.55 -1.22 0.00 0.00 177.39 176.16 1xsi s SER 658 N -1.08 0.35 0.10 -1.43 0.15 -0.39 -5.03 113.70 106.37 1xsi s SER 658 Ca 0.32 -0.81 -0.26 0.00 0.70 0.00 0.00 55.95 55.90 1xsi s SER 658 Cb 0.17 0.21 0.08 0.00 -1.71 0.00 0.00 66.02 64.77 1xsi s SER 658 CO 0.23 -0.57 0.84 -1.48 1.20 0.00 0.00 173.24 173.46 1xsi s LEU 659 N -2.60 -0.34 -0.18 3.45 2.34 -1.26 -4.59 118.68 115.50 1xsi s LEU 659 Ca 0.02 -0.18 -0.29 0.00 0.06 0.00 0.00 54.13 53.74 1xsi s LEU 659 Cb 0.04 2.24 -0.05 0.00 -0.56 0.00 0.00 46.19 47.86 1xsi s LEU 659 CO -0.08 -0.84 2.04 -2.84 -1.06 0.00 0.00 176.35 173.57 1xsi s PRO 660 N -3.37 3.44 -0.32 1.48 0.02 -1.25 -4.92 135.00 130.08 1xsi s PRO 660 Ca 0.07 2.02 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 1xsi s PRO 660 Cb -0.02 -4.27 0.10 0.00 0.02 0.00 0.00 34.50 30.34 1xsi s PRO 660 CO -0.05 -1.75 0.12 0.08 -0.33 0.00 0.00 177.00 175.07 1xsi s VAL 661 N 6.97 0.88 -0.10 3.83 1.01 -1.25 -1.83 120.40 129.92 1xsi s VAL 661 Ca 0.92 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1xsi s VAL 661 Cb -0.32 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1xsi s VAL 661 CO 0.35 -0.71 -0.18 -0.31 0.00 0.00 0.00 175.10 174.26 1xsi s TYR 662 N 1.49 2.67 -0.22 5.22 2.02 0.24 -0.26 117.35 128.51 1xsi s TYR 662 Ca 0.11 -0.68 -0.09 0.00 -0.37 0.00 0.00 57.07 56.04 1xsi s TYR 662 Cb -0.18 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1xsi s TYR 662 CO -0.22 -0.20 0.13 0.08 -1.57 0.00 0.00 175.55 173.76 1xsi s VAL 663 N 0.10 5.15 0.82 0.71 1.01 0.75 -0.52 120.40 128.41 1xsi s VAL 663 Ca -0.08 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1xsi s VAL 663 Cb -0.15 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.94 1xsi s VAL 663 CO 0.05 0.38 1.15 0.00 0.00 0.00 0.00 175.10 176.68 1xsi s ARG 664 N 0.89 1.72 0.97 2.72 1.70 -0.70 -1.48 118.95 124.76 1xsi s ARG 664 Ca 0.06 1.51 -0.12 0.00 -0.47 0.00 0.00 55.73 56.72 1xsi s ARG 664 Cb -0.13 -1.81 0.17 0.00 -0.57 0.00 0.00 34.95 32.61 1xsi s ARG 664 CO 0.03 -2.10 1.08 0.16 -1.08 0.00 0.00 175.30 173.39 1xsi s ASP 665 N -2.66 2.77 -1.46 -2.89 3.84 -1.18 -4.04 116.67 111.05 1xsi s ASP 665 Ca 0.68 1.54 -0.11 0.00 -0.00 0.00 0.00 52.55 54.66 1xsi s ASP 665 Cb -0.23 -2.21 0.05 0.00 -1.38 0.00 0.00 42.92 39.15 1xsi s ASP 665 CO 0.53 -3.09 1.04 0.59 -0.00 0.00 0.00 175.17 174.24 1xsi n ASN 666 N -4.18 -5.13 -4.39 2.11 3.02 -0.48 -4.98 115.26 101.22 1xsi n ASN 666 Ca 0.06 -0.69 -0.32 0.00 -0.03 0.00 0.00 54.58 53.60 1xsi n ASN 666 Cb 0.55 -4.32 -0.14 0.00 -0.61 0.00 0.00 39.78 35.25 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 -3.33 2.73 -0.21 3.41 2.01 -1.13 -4.55 115.64 114.56 1xsi s THR 667 Ca 0.59 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1xsi s THR 667 Cb -0.28 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.20 1xsi s THR 667 CO 0.79 0.57 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.95 1xsi s LEU 668 N -0.31 2.61 0.00 4.42 2.96 -1.26 -0.45 118.68 126.65 1xsi s LEU 668 Ca 0.02 -1.00 0.07 0.00 -0.22 0.00 0.00 54.13 53.00 1xsi s LEU 668 Cb -0.13 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1xsi s LEU 668 CO 0.02 -0.13 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.50 1xsi s LEU 669 N 1.29 2.41 -0.19 -0.68 2.96 -0.06 -4.23 118.68 120.18 1xsi s LEU 669 Ca -0.02 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1xsi s LEU 669 Cb -0.17 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1xsi s LEU 669 CO -0.08 0.30 0.02 0.00 -1.32 0.00 0.00 176.35 175.26 1xsi s ALA 670 N -0.77 3.13 0.01 5.97 0.00 -1.26 -0.39 121.76 128.45 1xsi s ALA 670 Ca 0.12 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1xsi s ALA 670 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1xsi s ALA 670 CO 0.02 -0.05 -0.11 -0.51 0.00 0.00 0.00 175.76 175.10 1xsi s LEU 671 N 0.82 2.93 0.45 0.00 1.02 -0.40 -3.24 118.68 120.26 1xsi s LEU 671 Ca 0.01 -0.24 0.08 0.00 0.02 0.00 0.00 54.13 54.00 1xsi s LEU 671 Cb -0.14 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.41 1xsi s LEU 671 CO 0.02 0.28 0.59 -0.83 0.02 0.00 0.00 176.35 176.44 1xsi s GLY 672 N -1.33 1.93 -0.33 -3.19 0.00 0.51 -0.46 107.32 104.46 1xsi s GLY 672 Ca 0.15 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 43.18 1xsi s GLY 672 CO 0.06 -1.55 1.65 1.16 0.00 0.00 0.00 173.10 174.41 1xsi n ASN 673 N -1.89 3.39 -3.80 1.64 6.94 -1.26 -4.77 115.26 115.50 1xsi n ASN 673 Ca 0.09 -3.56 -0.24 0.00 -0.02 0.00 0.00 54.58 50.85 1xsi n ASN 673 Cb 0.60 -0.70 -0.17 0.00 -2.36 0.00 0.00 39.78 37.14 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 -1.87 1.85 -0.10 0.53 3.84 -1.26 -5.01 114.94 112.92 1xsi s ASN 674 Ca 0.50 -0.20 0.15 0.00 0.21 0.00 0.00 52.86 53.52 1xsi s ASN 674 Cb 0.43 -0.55 0.53 0.00 -0.55 0.00 0.00 41.25 41.11 1xsi s ASN 674 CO 0.06 -0.19 1.45 -0.90 -2.79 0.00 0.00 177.10 174.74 1xsi n ASP 675 N 5.09 3.94 -0.02 -4.21 5.75 -1.26 -3.74 116.55 122.10 1xsi n ASP 675 Ca -0.08 -2.50 0.05 0.00 -0.01 0.00 0.00 54.79 52.25 1xsi n ASP 675 Cb 0.50 -0.46 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.41 0.69 -3.79 0.11 1.13 -1.26 -4.13 117.38 110.54 1xsi n GLN 676 Ca 0.20 -0.12 -0.10 0.00 -1.94 0.00 0.00 57.00 55.04 1xsi n GLN 676 Cb 0.75 -1.37 -0.07 0.00 0.11 0.00 0.00 30.24 29.67 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 -2.94 0.85 0.07 -1.09 1.70 -1.26 -4.70 118.95 111.58 1xsi s ARG 677 Ca -0.06 -0.74 0.05 0.00 -0.47 0.00 0.00 55.73 54.51 1xsi s ARG 677 Cb 0.09 0.36 -0.23 0.00 -0.57 0.00 0.00 34.95 34.59 1xsi s ARG 677 CO 0.63 -0.28 1.10 -1.00 -1.08 0.00 0.00 175.30 174.67 1xsi h PRO 678 N 2.93 0.08 -4.01 3.89 0.13 -1.87 -3.44 132.00 129.71 1xsi h PRO 678 Ca -0.33 -0.13 -0.76 0.00 -0.87 0.00 0.00 66.00 63.91 1xsi h PRO 678 Cb 1.21 0.05 -0.26 0.00 0.13 0.00 0.00 31.00 32.12 1xsi h PRO 678 CO 0.51 0.96 -0.15 0.16 -0.23 0.00 0.00 178.00 179.25 1xsi s ASP 679 N -6.71 6.26 0.19 1.44 -4.77 -1.26 -4.88 116.67 106.94 1xsi s ASP 679 Ca -0.02 -2.16 -0.02 0.00 -3.30 0.00 0.00 52.55 47.04 1xsi s ASP 679 Cb 0.09 -2.16 0.01 0.00 -1.09 0.00 0.00 42.92 39.76 1xsi s ASP 679 CO 0.83 -0.72 0.28 0.00 0.70 0.00 0.00 175.17 176.27 1xsi n TYR 680 N 4.68 -1.10 -2.79 2.11 4.11 -1.26 -5.03 117.16 117.89 1xsi n TYR 680 Ca -0.03 -1.18 -0.43 0.00 -0.00 0.00 0.00 57.90 56.27 1xsi n TYR 680 Cb 0.42 0.32 -0.03 0.00 -0.00 0.00 0.00 39.34 40.06 1xsi n TYR 680 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 1xsi s VAL 681 N -2.62 4.42 0.46 -3.48 -7.23 -1.26 -4.83 120.40 105.85 1xsi s VAL 681 Ca 0.14 -1.24 0.22 0.00 -1.81 0.00 0.00 61.98 59.28 1xsi s VAL 681 Cb -0.01 -4.88 0.25 0.00 0.56 0.00 0.00 36.38 32.30 1xsi s VAL 681 CO 0.10 -1.67 2.07 -0.50 -0.31 0.00 0.00 175.10 174.79 1xsi h TRP 682 N 9.21 0.00 -0.45 2.82 6.55 -1.97 -2.66 115.95 129.45 1xsi h TRP 682 Ca 0.16 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.00 1xsi h TRP 682 Cb 1.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.32 1xsi h TRP 682 CO 1.20 0.13 0.00 -2.39 -1.05 0.00 0.00 178.44 176.33 1xsi n HIS 683 N -3.98 0.69 -4.21 0.49 1.44 -1.26 -4.31 115.22 104.07 1xsi n HIS 683 Ca -0.02 -0.32 -0.28 0.00 -2.01 0.00 0.00 57.72 55.08 1xsi n HIS 683 Cb 0.22 -0.04 -0.17 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.46 2.00 0.00 -1.40 2.02 -1.00 -1.74 118.70 117.11 1xsi s GLU 684 Ca 0.31 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1xsi s GLU 684 Cb 0.17 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1xsi s GLU 684 CO 0.20 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1xsi n GLY 685 N 4.50 0.40 3.72 -1.39 0.00 -0.67 -4.60 105.19 107.16 1xsi n GLY 685 Ca -0.17 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1xsi n GLY 685 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsi s THR 686 N -2.00 3.21 -0.48 2.61 2.01 -1.25 -4.10 115.64 115.64 1xsi s THR 686 Ca 0.00 0.91 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 1xsi s THR 686 Cb 0.00 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 69.05 1xsi s THR 686 CO 0.00 0.09 0.32 0.00 -0.69 0.00 0.00 174.62 174.34 1xsi s ALA 687 N 0.78 3.35 0.39 7.40 0.00 0.40 -0.94 121.76 133.13 1xsi s ALA 687 Ca 0.62 -2.64 -0.24 0.00 0.00 0.00 0.00 51.96 49.70 1xsi s ALA 687 Cb -0.37 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 1xsi s ALA 687 CO 0.33 -1.90 1.00 -0.06 0.00 0.00 0.00 175.76 175.13 1xsi s PHE 688 N 1.10 3.38 -0.04 0.00 0.08 0.10 -1.28 117.98 121.32 1xsi s PHE 688 Ca 0.08 1.67 -0.02 0.00 0.12 0.00 0.00 56.93 58.79 1xsi s PHE 688 Cb -0.24 -3.02 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1xsi s PHE 688 CO -0.03 -0.31 0.07 -1.01 -0.10 0.00 0.00 175.22 173.84 1xsi s HIS 689 N -1.74 0.01 -0.15 0.36 3.76 0.48 -0.94 115.29 117.06 1xsi s HIS 689 Ca 0.57 0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 55.73 1xsi s HIS 689 Cb -0.19 -0.36 -0.02 0.00 1.11 0.00 0.00 32.58 33.13 1xsi s HIS 689 CO 0.24 -0.17 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.71 1xsi s LEU 690 N 1.79 2.95 -0.20 0.89 2.96 -0.90 -0.88 118.68 125.29 1xsi s LEU 690 Ca -0.00 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1xsi s LEU 690 Cb -0.12 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1xsi s LEU 690 CO -0.03 0.15 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.62 1xsi s PHE 691 N 0.46 2.90 -1.32 5.38 0.08 0.41 -2.69 117.98 123.20 1xsi s PHE 691 Ca -0.07 -1.74 -0.18 0.00 0.12 0.00 0.00 56.93 55.06 1xsi s PHE 691 Cb -0.15 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1xsi s PHE 691 CO 0.04 -0.81 0.48 0.09 -0.10 0.00 0.00 175.22 174.92 1xsi n ASN 692 N 4.60 -2.37 -4.65 1.36 5.03 -1.26 -1.38 115.26 116.59 1xsi n ASN 692 Ca -0.19 -1.21 -0.43 0.00 0.87 0.00 0.00 54.58 53.62 1xsi n ASN 692 Cb 0.48 -2.10 -0.03 0.00 -1.02 0.00 0.00 39.78 37.11 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 -7.23 4.13 0.35 3.41 0.20 -1.26 -1.78 118.68 116.50 1xsi s LEU 693 Ca 0.29 1.93 -0.13 0.00 0.69 0.00 0.00 54.13 56.90 1xsi s LEU 693 Cb -0.14 -3.53 -0.08 0.00 -0.43 0.00 0.00 46.19 42.00 1xsi s LEU 693 CO 0.95 -1.05 0.74 -1.10 -0.29 0.00 0.00 176.35 175.61 1xsi s GLN 694 N 4.25 3.92 0.08 1.98 -0.21 -1.26 -4.97 119.66 123.44 1xsi s GLN 694 Ca 0.71 0.59 -0.36 0.00 0.02 0.00 0.00 55.36 56.32 1xsi s GLN 694 Cb -0.29 -2.42 -0.15 0.00 1.00 0.00 0.00 33.01 31.15 1xsi s GLN 694 CO 0.28 0.10 1.49 -3.47 -2.12 0.00 0.00 175.29 171.56 1xsi n ASP 695 N -0.67 2.35 0.00 5.90 2.03 -1.26 -1.86 116.55 123.04 1xsi n ASP 695 Ca 0.03 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1xsi n ASP 695 Cb 0.53 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 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 3.09 0.73 3.60 0.27 0.00 0.46 -5.01 105.19 108.33 1xsi n GLY 696 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.74 2.64 -0.02 1.61 3.76 -0.78 -4.95 115.29 114.82 1xsi s HIS 697 Ca 0.00 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.73 1xsi s HIS 697 Cb 0.00 -1.21 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1xsi s HIS 697 CO 0.00 0.59 -0.18 -2.00 -0.85 0.00 0.00 174.74 172.30 1xsi s GLU 698 N -3.35 1.47 -0.11 1.40 2.12 -1.26 -1.66 118.70 117.31 1xsi s GLU 698 Ca 0.29 -0.63 -0.00 0.00 0.36 0.00 0.00 54.97 54.98 1xsi s GLU 698 Cb -0.07 -1.41 -0.02 0.00 0.26 0.00 0.00 34.13 32.89 1xsi s GLU 698 CO 0.18 0.37 -0.09 0.00 -0.54 0.00 0.00 175.26 175.18 1xsi s ALA 699 N -0.38 2.81 -0.06 6.30 0.00 0.12 -4.96 121.76 125.60 1xsi s ALA 699 Ca 0.06 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1xsi s ALA 699 Cb -0.07 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1xsi s ALA 699 CO -0.00 0.35 -0.24 0.08 0.00 0.00 0.00 175.76 175.94 1xsi s VAL 700 N -0.03 1.97 -0.11 0.00 1.01 -1.26 -1.35 120.40 120.64 1xsi s VAL 700 Ca -0.01 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1xsi s VAL 700 Cb -0.14 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1xsi s VAL 700 CO 0.03 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.60 1xsi s GLU 702 N 1.59 3.13 -0.12 0.00 2.02 -1.26 -1.62 118.70 122.43 1xsi s GLU 702 Ca 0.03 -0.82 -0.21 0.00 0.02 0.00 0.00 54.97 53.99 1xsi s GLU 702 Cb -0.13 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 1xsi s GLU 702 CO -0.07 -0.38 0.63 0.08 0.02 0.00 0.00 175.26 175.54 1xsi s VAL 703 N 1.47 5.07 0.42 2.63 1.01 0.81 -4.84 120.40 126.97 1xsi s VAL 703 Ca 0.03 1.24 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 1xsi s VAL 703 Cb -0.16 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1xsi s VAL 703 CO 0.00 0.22 0.86 -2.16 0.00 0.00 0.00 175.10 174.02 1xsi s PRO 704 N 1.14 3.97 0.89 2.72 0.04 -1.26 -0.29 135.00 142.21 1xsi s PRO 704 Ca 0.32 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 1xsi s PRO 704 Cb -0.16 -2.29 0.20 0.00 0.04 0.00 0.00 34.50 32.29 1xsi s PRO 704 CO 0.13 -0.05 1.21 0.00 0.04 0.00 0.00 177.00 178.34 1xsi n ALA 705 N -1.01 -1.03 0.23 8.56 0.00 0.58 -4.62 120.51 123.22 1xsi n ALA 705 Ca 0.05 -1.76 0.07 0.00 0.00 0.00 0.00 53.44 51.80 1xsi n ALA 705 Cb 0.54 0.02 0.55 0.00 0.00 0.00 0.00 19.45 20.56 1xsi n ALA 705 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsi h ALA 706 N -1.47 1.53 -0.07 0.00 0.00 -1.94 -1.52 119.26 115.78 1xsi h ALA 706 Ca -0.39 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1xsi h ALA 706 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xsi h ALA 706 CO 0.31 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.40 1xsi n ASP 707 N -4.08 1.34 0.00 0.00 5.68 -1.26 -4.79 116.55 113.44 1xsi n ASP 707 Ca -0.02 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1xsi n ASP 707 Cb 0.26 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 1.12 2.37 3.73 6.12 0.00 -0.57 -5.06 105.19 112.90 1xsi n GLY 708 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.53 4.06 -0.12 1.61 1.04 -1.26 -4.69 113.70 112.81 1xsi s SER 709 Ca 0.00 2.07 -0.29 0.00 0.48 0.00 0.00 55.95 58.21 1xsi s SER 709 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 1xsi s SER 709 CO 0.00 -2.34 0.98 -0.69 0.98 0.00 0.00 173.24 172.18 1xsi s VAL 710 N -2.55 4.79 -0.07 5.02 1.01 -1.26 -0.30 120.40 127.03 1xsi s VAL 710 Ca 0.66 1.98 0.21 0.00 0.00 0.00 0.00 61.98 64.84 1xsi s VAL 710 Cb -0.22 -4.29 -0.29 0.00 0.00 0.00 0.00 36.38 31.58 1xsi s VAL 710 CO 0.52 -0.01 0.49 0.00 0.00 0.00 0.00 175.10 176.11 1xsi n ILE 711 N 4.63 0.28 -3.68 2.22 3.06 0.60 -4.80 119.36 121.67 1xsi n ILE 711 Ca 0.08 -0.56 -0.12 0.00 -2.50 0.00 0.00 62.75 59.65 1xsi n ILE 711 Cb 0.48 -0.12 -0.09 0.00 0.54 0.00 0.00 39.64 40.46 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 -3.35 -0.67 -0.08 9.51 5.36 -1.00 -1.15 117.98 126.61 1xsi s PHE 712 Ca -0.07 1.53 0.04 0.00 -0.96 0.00 0.00 56.93 57.46 1xsi s PHE 712 Cb 0.12 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 1xsi s PHE 712 CO 0.88 -0.33 -0.20 0.99 -1.46 0.00 0.00 175.22 175.10 1xsi s THR 713 N 0.66 1.74 -0.07 0.12 2.01 0.09 -0.13 115.64 120.07 1xsi s THR 713 Ca -0.03 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1xsi s THR 713 Cb -0.05 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1xsi s THR 713 CO -0.04 0.49 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.96 1xsi s LEU 714 N 0.38 1.92 0.03 4.42 1.98 -0.64 -0.21 118.68 126.56 1xsi s LEU 714 Ca -0.16 -0.43 0.07 0.00 -2.89 0.00 0.00 54.13 50.72 1xsi s LEU 714 Cb -0.17 -1.14 -0.02 0.00 0.66 0.00 0.00 46.19 45.53 1xsi s LEU 714 CO 0.07 0.13 -0.21 -0.54 -1.89 0.00 0.00 176.35 173.91 1xsi s LYS 715 N 0.30 1.50 -0.15 1.98 1.02 0.54 -1.55 119.74 123.38 1xsi s LYS 715 Ca -0.12 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1xsi s LYS 715 Cb -0.15 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1xsi s LYS 715 CO 0.05 0.41 -0.10 0.00 -0.92 0.00 0.00 175.35 174.80 1xsi s ALA 716 N -0.71 1.65 -0.11 5.17 0.00 -0.45 -1.80 121.76 125.50 1xsi s ALA 716 Ca 0.08 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1xsi s ALA 716 Cb -0.09 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1xsi s ALA 716 CO 0.01 -0.55 -0.23 0.00 0.00 0.00 0.00 175.76 174.99 1xsi s ALA 717 N 1.57 2.23 -0.20 0.00 0.00 -0.14 0.15 121.76 125.37 1xsi s ALA 717 Ca 0.03 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 1xsi s ALA 717 Cb -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1xsi s ALA 717 CO -0.09 0.24 -0.05 0.50 0.00 0.00 0.00 175.76 176.37 1xsi s ARG 718 N 0.40 3.46 -0.13 0.00 3.52 -0.66 -0.72 118.95 124.81 1xsi s ARG 718 Ca -0.17 -0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 54.71 1xsi s ARG 718 Cb -0.17 -2.96 -0.06 0.00 -1.56 0.00 0.00 34.95 30.20 1xsi s ARG 718 CO 0.07 -0.05 -0.25 2.41 -0.81 0.00 0.00 175.30 176.68 1xsi n THR 719 N 4.36 1.31 0.00 4.11 -1.04 -0.47 -0.41 114.28 122.15 1xsi n THR 719 Ca -0.18 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1xsi n THR 719 Cb 0.51 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 1xsi n THR 719 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xsi n GLY 720 N 1.96 1.08 1.80 3.41 0.00 -1.26 -4.37 105.19 107.80 1xsi n GLY 720 Ca -0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1xsi n GLY 720 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsi n ASN 721 N 0.00 4.60 -4.30 1.61 3.02 -1.26 -4.81 115.26 114.12 1xsi n ASN 721 Ca 0.00 -3.23 -0.34 0.00 -0.03 0.00 0.00 54.58 50.98 1xsi n ASN 721 Cb 0.00 -0.71 -0.14 0.00 -0.61 0.00 0.00 39.78 38.32 1xsi n ASN 721 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsi s THR 722 N -2.99 3.07 -0.37 3.41 2.01 -1.26 -0.32 115.64 119.19 1xsi s THR 722 Ca 0.53 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 1xsi s THR 722 Cb 0.43 -2.35 0.05 0.00 0.01 0.00 0.00 72.50 70.64 1xsi s THR 722 CO 0.12 0.47 0.17 -0.63 -0.69 0.00 0.00 174.62 174.06 1xsi s ILE 723 N 1.10 4.03 -0.02 1.82 1.01 0.54 -1.37 121.20 128.31 1xsi s ILE 723 Ca 0.01 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.27 1xsi s ILE 723 Cb -0.15 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 1xsi s ILE 723 CO -0.02 -0.29 0.60 -0.89 0.00 0.00 0.00 174.94 174.34 1xsi s THR 724 N 1.43 4.95 -0.18 2.92 2.01 0.10 -1.15 115.64 125.72 1xsi s THR 724 Ca 0.01 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.27 1xsi s THR 724 Cb -0.20 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1xsi s THR 724 CO 0.03 0.38 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.46 1xsi s VAL 725 N 0.04 2.00 -0.03 3.82 1.01 -0.52 -0.97 120.40 125.75 1xsi s VAL 725 Ca 0.32 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1xsi s VAL 725 Cb -0.18 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1xsi s VAL 725 CO 0.17 0.52 -0.16 0.42 0.00 0.00 0.00 175.10 176.05 1xsi s THR 726 N 1.31 1.31 0.03 3.92 -4.23 -0.75 -4.10 115.64 113.15 1xsi s THR 726 Ca 0.05 -0.67 0.09 0.00 -1.18 0.00 0.00 61.69 59.97 1xsi s THR 726 Cb -0.13 -1.12 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 1xsi s THR 726 CO -0.13 0.38 -0.25 -0.83 -0.54 0.00 0.00 174.62 173.26 1xsi s GLY 727 N -0.10 1.30 -0.07 3.99 0.00 -1.26 -0.34 107.32 110.85 1xsi s GLY 727 Ca -0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 1xsi s GLY 727 CO 0.01 -1.06 0.16 0.00 0.00 0.00 0.00 173.10 172.21 1xsi s ALA 728 N -0.76 -0.33 0.00 3.20 0.00 0.71 -4.99 121.76 119.59 1xsi s ALA 728 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1xsi s ALA 728 Cb -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1xsi s ALA 728 CO 0.01 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1xsi n GLY 729 N 3.93 0.19 3.14 0.00 0.00 -1.26 -0.73 105.19 110.47 1xsi n GLY 729 Ca -0.23 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 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 2.87 -0.12 1.61 2.12 -0.30 -4.98 118.70 119.91 1xsi s GLU 730 Ca 0.00 -0.93 -0.29 0.00 0.36 0.00 0.00 54.97 54.12 1xsi s GLU 730 Cb 0.00 -2.74 0.07 0.00 0.26 0.00 0.00 34.13 31.71 1xsi s GLU 730 CO 0.00 -0.31 0.68 0.00 -0.54 0.00 0.00 175.26 175.10 1xsi s ALA 731 N 1.28 -1.75 0.02 6.30 0.00 -1.26 -4.49 121.76 121.86 1xsi s ALA 731 Ca 0.02 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.51 1xsi s ALA 731 Cb -0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1xsi s ALA 731 CO -0.09 -0.36 -0.06 0.15 0.00 0.00 0.00 175.76 175.40 1xsi s LYS 732 N -0.71 0.46 -1.46 0.00 1.02 -0.71 -4.91 119.74 113.42 1xsi s LYS 732 Ca -0.08 -0.54 -0.10 0.00 0.02 0.00 0.00 55.97 55.27 1xsi s LYS 732 Cb -0.02 -0.29 0.06 0.00 -0.52 0.00 0.00 37.83 37.06 1xsi s LYS 732 CO 0.07 0.06 0.97 -1.71 -0.92 0.00 0.00 175.35 173.82 1xsi n ASN 733 N 1.99 -4.35 -4.93 2.83 4.05 -1.26 -1.67 115.26 111.93 1xsi n ASN 733 Ca -0.19 -0.75 -0.20 0.00 0.45 0.00 0.00 54.58 53.88 1xsi n ASN 733 Cb 0.56 -4.10 -0.02 0.00 1.23 0.00 0.00 39.78 37.45 1xsi n ASN 733 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 177.26 172.55 1xsi s TRP 734 N -3.37 3.08 0.12 1.20 1.48 -1.26 -3.17 118.94 117.02 1xsi s TRP 734 Ca 0.53 -0.22 -0.02 0.00 -1.06 0.00 0.00 56.10 55.33 1xsi s TRP 734 Cb -0.26 -1.83 -0.04 0.00 -1.16 0.00 0.00 33.47 30.19 1xsi s TRP 734 CO 0.81 0.15 0.06 -0.08 -4.06 0.00 0.00 176.95 173.83 1xsi s THR 735 N -2.19 0.12 -0.20 0.66 -1.32 -0.12 -4.56 115.64 108.03 1xsi s THR 735 Ca 0.41 -1.85 -0.02 0.00 -1.21 0.00 0.00 61.69 59.03 1xsi s THR 735 Cb -0.08 -1.93 0.06 0.00 -1.51 0.00 0.00 72.50 69.04 1xsi s THR 735 CO 0.29 -0.55 0.01 -0.22 -2.21 0.00 0.00 174.62 171.94 1xsi s LEU 736 N -3.02 1.51 -0.22 9.08 1.98 -0.24 -0.72 118.68 127.06 1xsi s LEU 736 Ca 0.20 -0.87 -0.15 0.00 -2.89 0.00 0.00 54.13 50.43 1xsi s LEU 736 Cb 0.07 -0.75 -0.04 0.00 0.66 0.00 0.00 46.19 46.13 1xsi s LEU 736 CO -0.01 -0.28 0.34 0.00 -1.89 0.00 0.00 176.35 174.52 1xsi s LEU 738 N 1.41 4.65 0.28 0.00 1.43 0.26 -2.11 118.68 124.60 1xsi s LEU 738 Ca 0.16 -1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 51.35 1xsi s LEU 738 Cb -0.15 -2.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.53 1xsi s LEU 738 CO 0.08 -1.25 1.63 -0.60 0.23 0.00 0.00 176.35 176.45 1xsi s ARG 739 N 3.42 4.11 -1.26 1.70 6.06 -1.09 -1.68 118.95 130.20 1xsi s ARG 739 Ca 0.30 2.61 0.00 0.00 -2.50 0.00 0.00 55.73 56.14 1xsi s ARG 739 Cb -0.09 -3.03 0.00 0.00 0.06 0.00 0.00 34.95 31.90 1xsi s ARG 739 CO -0.03 -0.68 0.00 0.09 -2.50 0.00 0.00 175.30 172.19 1xsi n ASN 740 N 2.58 -4.18 -4.01 -2.12 3.02 0.38 -4.72 115.26 106.21 1xsi n ASN 740 Ca 0.10 0.19 -0.31 0.00 -0.03 0.00 0.00 54.58 54.53 1xsi n ASN 740 Cb 0.37 -3.60 -0.15 0.00 -0.61 0.00 0.00 39.78 35.79 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 -2.60 2.15 -0.17 2.41 1.01 -0.68 -5.01 120.40 117.52 1xsi s VAL 741 Ca 0.00 -2.14 0.16 0.00 0.00 0.00 0.00 61.98 60.00 1xsi s VAL 741 Cb 0.00 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1xsi s VAL 741 CO 0.00 -0.50 1.33 -0.37 0.00 0.00 0.00 175.10 175.56 1xsi h VAL 742 N 6.63 0.73 -2.83 2.92 -1.51 -1.93 -0.69 116.25 119.56 1xsi h VAL 742 Ca -0.07 -2.08 -0.16 0.00 -1.23 0.00 0.00 66.70 63.16 1xsi h VAL 742 Cb 1.02 2.30 -0.29 0.00 -2.13 0.00 0.00 31.29 32.20 1xsi h VAL 742 CO 0.50 0.41 -0.41 -0.75 -1.23 0.00 0.00 177.57 176.10 1xsi s LYS 743 N -2.98 0.28 0.13 5.19 2.20 -1.26 -4.74 119.74 118.57 1xsi s LYS 743 Ca 0.03 0.67 0.05 0.00 -0.36 0.00 0.00 55.97 56.36 1xsi s LYS 743 Cb 0.08 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1xsi s LYS 743 CO 0.76 -0.17 0.05 0.54 -0.36 0.00 0.00 175.35 176.17 1xsi s VAL 744 N 1.46 4.16 0.03 4.02 0.11 -1.26 -4.41 120.40 124.52 1xsi s VAL 744 Ca -0.08 -1.10 -0.22 0.00 -2.93 0.00 0.00 61.98 57.64 1xsi s VAL 744 Cb -0.10 -3.06 -0.15 0.00 -1.53 0.00 0.00 36.38 31.54 1xsi s VAL 744 CO -0.10 -0.01 1.40 -1.13 -3.33 0.00 0.00 175.10 171.92 1xsi h ASN 745 N 2.89 0.20 -4.99 3.54 -1.24 -1.19 -3.44 115.58 111.35 1xsi h ASN 745 Ca -0.47 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.15 1xsi h ASN 745 Cb 1.19 -0.05 -0.11 0.00 0.73 0.00 0.00 38.32 40.08 1xsi h ASN 745 CO 0.61 0.54 0.23 -0.83 -1.29 0.00 0.00 177.43 176.69 1xsi s GLY 746 N -3.11 -0.51 -0.16 1.57 0.00 -0.97 -5.00 107.32 99.14 1xsi s GLY 746 Ca -0.15 0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 1xsi s GLY 746 CO 0.71 0.12 0.35 -2.27 0.00 0.00 0.00 173.10 172.00 1xsi s LEU 747 N -2.78 -0.34 -0.11 0.66 0.20 -1.26 -1.05 118.68 113.99 1xsi s LEU 747 Ca 0.03 0.80 0.01 0.00 0.69 0.00 0.00 54.13 55.66 1xsi s LEU 747 Cb -0.02 1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 46.80 1xsi s LEU 747 CO -0.09 -0.22 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.02 1xsi s GLN 748 N 2.23 3.22 -1.29 1.98 0.74 0.03 -4.59 119.66 121.98 1xsi s GLN 748 Ca -0.03 -0.72 -0.07 0.00 0.05 0.00 0.00 55.36 54.60 1xsi s GLN 748 Cb -0.11 -2.55 0.01 0.00 1.10 0.00 0.00 33.01 31.46 1xsi s GLN 748 CO -0.11 0.26 0.87 -0.25 -0.55 0.00 0.00 175.29 175.51 1xsi n ASP 749 N 3.37 -5.85 -3.51 6.67 9.92 -1.26 -1.22 116.55 124.67 1xsi n ASP 749 Ca -0.18 -0.40 -0.13 0.00 -0.53 0.00 0.00 54.79 53.56 1xsi n ASP 749 Cb 0.53 -4.55 -0.04 0.00 -0.64 0.00 0.00 41.12 36.42 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 -3.08 -0.48 0.16 0.44 0.00 -1.26 -1.63 107.32 101.48 1xsi s GLY 750 Ca 0.43 1.28 0.04 0.00 0.00 0.00 0.00 44.72 46.47 1xsi s GLY 750 CO 0.53 0.68 0.22 -1.35 0.00 0.00 0.00 173.10 173.19 1xsi s SER 751 N -1.76 5.98 -0.07 1.64 1.04 0.32 -4.94 113.70 115.91 1xsi s SER 751 Ca -0.03 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.46 1xsi s SER 751 Cb -0.01 -1.70 0.01 0.00 0.10 0.00 0.00 66.02 64.42 1xsi s SER 751 CO -0.01 0.05 -0.14 0.00 0.98 0.00 0.00 173.24 174.13 1xsi s GLN 752 N -3.21 1.90 0.52 4.02 -2.07 -1.26 -0.90 119.66 118.66 1xsi s GLN 752 Ca 0.33 -0.48 0.02 0.00 -1.82 0.00 0.00 55.36 53.41 1xsi s GLN 752 Cb -0.10 -1.54 0.00 0.00 -1.09 0.00 0.00 33.01 30.28 1xsi s GLN 752 CO 0.26 0.04 0.12 0.00 -1.32 0.00 0.00 175.29 174.39 1xsi s ALA 753 N 0.65 4.25 0.33 2.60 0.00 0.13 -4.97 121.76 124.75 1xsi s ALA 753 Ca -0.15 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.34 1xsi s ALA 753 Cb -0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1xsi s ALA 753 CO 0.04 -0.14 0.30 -1.21 0.00 0.00 0.00 175.76 174.75 1xsi s GLU 754 N -4.00 2.78 0.25 0.00 2.02 -1.26 -1.65 118.70 116.83 1xsi s GLU 754 Ca 0.13 -1.25 -0.22 0.00 0.02 0.00 0.00 54.97 53.65 1xsi s GLU 754 Cb 0.00 -2.51 0.04 0.00 0.10 0.00 0.00 34.13 31.76 1xsi s GLU 754 CO 0.08 0.12 0.83 -1.54 0.02 0.00 0.00 175.26 174.76 1xsi s SER 755 N -4.00 -0.17 0.26 -0.19 1.04 -1.19 -4.74 113.70 104.71 1xsi s SER 755 Ca 0.41 -0.63 0.04 0.00 0.48 0.00 0.00 55.95 56.24 1xsi s SER 755 Cb -0.06 0.65 0.34 0.00 0.10 0.00 0.00 66.02 67.05 1xsi s SER 755 CO 0.27 -1.23 1.64 -0.33 0.98 0.00 0.00 173.24 174.56 1xsi h GLU 756 N 2.00 0.32 0.00 4.02 5.08 -2.02 -3.15 114.58 120.84 1xsi h GLU 756 Ca -0.23 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1xsi h GLU 756 Cb 1.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xsi h GLU 756 CO 0.27 0.72 -0.04 1.96 -1.00 0.00 0.00 179.01 180.92 1xsi h GLN 757 N 0.26 0.00 0.00 2.33 4.20 -1.96 -3.47 115.11 116.47 1xsi h GLN 757 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1xsi h GLN 757 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1xsi h GLN 757 CO 0.07 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 1xsi n GLY 758 N 1.14 1.02 3.73 3.46 0.00 -1.19 -0.47 105.19 112.88 1xsi n GLY 758 Ca 0.04 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1xsi n GLY 758 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsi n LEU 759 N 0.00 4.11 -4.33 0.99 7.94 -0.27 -3.18 117.00 122.27 1xsi n LEU 759 Ca 0.00 1.10 -0.34 0.00 -1.11 0.00 0.00 56.01 55.66 1xsi n LEU 759 Cb 0.00 -1.58 -0.14 0.00 0.53 0.00 0.00 43.42 42.23 1xsi n LEU 759 CO 0.00 0.14 -0.42 -0.69 -1.11 0.00 0.00 177.39 175.31 1xsi s VAL 760 N 0.60 3.18 -0.17 1.96 1.01 -0.66 0.92 120.40 127.25 1xsi s VAL 760 Ca 0.70 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1xsi s VAL 760 Cb -0.51 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1xsi s VAL 760 CO 0.40 0.48 -0.02 -0.69 0.00 0.00 0.00 175.10 175.26 1xsi s VAL 761 N 0.97 3.96 -0.22 2.92 1.01 0.88 0.23 120.40 130.15 1xsi s VAL 761 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1xsi s VAL 761 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1xsi s VAL 761 CO -0.00 0.48 0.05 -0.75 0.00 0.00 0.00 175.10 174.87 1xsi s LYS 762 N 0.48 3.73 0.65 2.72 2.47 -0.08 -1.07 119.74 128.62 1xsi s LYS 762 Ca -0.03 -0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 53.82 1xsi s LYS 762 Cb -0.14 -3.23 -0.02 0.00 -1.46 0.00 0.00 37.83 32.97 1xsi s LYS 762 CO 0.03 -0.02 1.05 -1.25 0.16 0.00 0.00 175.35 175.32 1xsi s PRO 763 N 1.14 3.37 -0.29 4.03 0.04 -1.26 -0.52 135.00 141.51 1xsi s PRO 763 Ca 0.04 0.69 -0.16 0.00 0.04 0.00 0.00 61.00 61.61 1xsi s PRO 763 Cb -0.14 -2.06 0.16 0.00 0.04 0.00 0.00 34.50 32.50 1xsi s PRO 763 CO 0.03 -0.72 1.04 1.14 0.04 0.00 0.00 177.00 178.53 1xsi s GLN 764 N -5.22 0.30 0.00 4.56 0.00 -0.65 -4.85 119.66 113.80 1xsi s GLN 764 Ca 0.56 0.52 0.00 0.00 -0.00 0.00 0.00 55.36 56.44 1xsi s GLN 764 Cb -0.11 0.06 0.00 0.00 0.00 0.00 0.00 33.01 32.96 1xsi s GLN 764 CO 0.54 -0.06 0.00 0.41 0.00 0.00 0.00 175.29 176.17 1xsi n GLY 765 N 3.54 2.41 1.69 2.60 0.00 -1.26 -4.21 105.19 109.97 1xsi n GLY 765 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -3.06 0.00 1.61 2.85 -1.26 -4.88 115.26 110.52 1xsi n ASN 766 Ca 0.00 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 55.61 1xsi n ASN 766 Cb 0.00 -2.73 0.00 0.00 1.24 0.00 0.00 39.78 38.29 1xsi n ASN 766 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xsi n ALA 767 N 1.37 0.00 -0.63 5.20 0.00 -1.26 -5.10 120.51 120.08 1xsi n ALA 767 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsi n ALA 767 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.47 -4.25 0.00 7.94 -1.25 -3.95 117.00 115.02 1xsi n LEU 768 Ca 0.00 0.26 -0.28 0.00 -1.11 0.00 0.00 56.01 54.87 1xsi n LEU 768 Cb 0.00 -0.40 -0.16 0.00 0.53 0.00 0.00 43.42 43.40 1xsi n LEU 768 CO 0.00 -0.52 -0.54 -0.89 -1.11 0.00 0.00 177.39 174.33 1xsi s THR 769 N 0.00 1.76 -0.05 1.96 2.01 -0.36 -1.44 115.64 119.52 1xsi s THR 769 Ca 0.00 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.08 1xsi s THR 769 Cb 0.00 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.05 1xsi s THR 769 CO 0.00 0.49 -0.18 0.27 -0.69 0.00 0.00 174.62 174.51 1xsi s ILE 770 N -0.53 1.53 -0.28 1.82 -5.25 -0.30 -0.79 121.20 117.40 1xsi s ILE 770 Ca 0.09 -0.75 -0.07 0.00 -0.99 0.00 0.00 60.65 58.92 1xsi s ILE 770 Cb -0.09 -1.32 -0.00 0.00 2.95 0.00 0.00 42.46 44.00 1xsi s ILE 770 CO -0.01 0.44 0.07 -0.89 -1.79 0.00 0.00 174.94 172.76 1xsi s THR 771 N 0.15 4.06 0.37 8.37 2.01 -0.22 -0.34 115.64 130.05 1xsi s THR 771 Ca -0.07 -0.51 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 1xsi s THR 771 Cb -0.13 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 1xsi s THR 771 CO 0.03 0.18 1.11 -0.76 -0.69 0.00 0.00 174.62 174.49 1xsi s LEU 772 N 1.54 4.25 0.00 4.42 2.01 0.57 -0.80 118.68 130.66 1xsi s LEU 772 Ca 0.04 2.21 0.00 0.00 0.01 0.00 0.00 54.13 56.39 1xsi s LEU 772 Cb -0.16 -4.00 0.00 0.00 0.01 0.00 0.00 46.19 42.04 1xsi s LEU 772 CO 0.03 -0.49 0.50 0.00 1.01 0.00 0.00 176.35 177.39