#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 4.27 -0.02 2.12 -0.14 -1.26 -4.91 119.74 119.80 1xsi s LYS 2 Ca 0.00 2.02 -0.05 0.00 -1.36 0.00 0.00 55.97 56.58 1xsi s LYS 2 Cb 0.00 -3.59 -0.02 0.00 -1.68 0.00 0.00 37.83 32.54 1xsi s LYS 2 CO 0.00 -0.61 -0.11 -0.89 -0.76 0.00 0.00 175.35 172.99 1xsi n ILE 3 N 4.70 1.00 -1.59 2.17 5.41 -1.26 -4.84 119.36 124.95 1xsi n ILE 3 Ca 0.14 0.16 -0.30 0.00 1.00 0.00 0.00 62.75 63.75 1xsi n ILE 3 Cb 0.43 -1.74 0.07 0.00 -0.71 0.00 0.00 39.64 37.69 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 -5.89 4.95 -0.56 4.38 1.04 -1.26 -0.91 113.70 115.44 1xsi s SER 4 Ca -0.10 1.41 0.04 0.00 0.48 0.00 0.00 55.95 57.79 1xsi s SER 4 Cb 0.02 -2.22 0.16 0.00 0.10 0.00 0.00 66.02 64.09 1xsi s SER 4 CO 0.14 -1.69 0.38 -0.62 0.98 0.00 0.00 173.24 172.42 1xsi s ASP 5 N -3.90 3.65 0.59 7.02 2.15 -0.18 -4.26 116.67 121.73 1xsi s ASP 5 Ca 0.59 -3.32 0.00 0.00 0.43 0.00 0.00 52.55 50.25 1xsi s ASP 5 Cb -0.14 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.29 1xsi s ASP 5 CO 0.54 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 176.00 1xsi n GLY 6 N 2.62 -1.02 0.14 2.66 0.00 -1.26 -2.99 105.19 105.34 1xsi n GLY 6 Ca 0.19 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.35 115.58 110.63 1xsi h ASN 7 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1xsi h ASN 7 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1xsi h ASN 7 CO 0.00 0.61 -0.90 0.79 -1.29 0.00 0.00 177.43 176.64 1xsi n TRP 8 N -3.73 0.00 -4.48 0.67 7.02 -1.26 -5.02 117.44 110.64 1xsi n TRP 8 Ca -0.01 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.24 1xsi n TRP 8 Cb 0.62 -0.06 -0.09 0.00 -2.42 0.00 0.00 31.31 29.36 1xsi n TRP 8 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xsi s LEU 9 N -2.96 2.02 0.03 -0.99 1.43 -1.16 -5.04 118.68 112.01 1xsi s LEU 9 Ca 0.04 -1.55 0.06 0.00 -1.03 0.00 0.00 54.13 51.65 1xsi s LEU 9 Cb 0.12 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 1xsi s LEU 9 CO 0.65 -0.81 -0.18 -0.63 0.23 0.00 0.00 176.35 175.61 1xsi s ILE 10 N -3.29 1.42 0.23 -0.59 1.01 -1.26 -1.01 121.20 117.71 1xsi s ILE 10 Ca 0.29 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 1xsi s ILE 10 Cb 0.05 -1.23 -0.15 0.00 0.01 0.00 0.00 42.46 41.13 1xsi s ILE 10 CO 0.15 0.19 0.93 0.00 0.00 0.00 0.00 174.94 176.20 1xsi n GLN 11 N 2.07 0.93 -1.65 2.79 1.13 -0.09 -4.60 117.38 117.96 1xsi n GLN 11 Ca -0.17 0.33 -0.48 0.00 -1.94 0.00 0.00 57.00 54.74 1xsi n GLN 11 Cb 0.54 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.20 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 1.05 1.87 -0.72 -1.09 -0.02 -1.26 -2.22 135.00 132.61 1xsi n PRO 12 Ca 0.13 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1xsi n PRO 12 Cb 0.28 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.17 0.72 3.67 -1.23 0.00 -1.26 -4.88 105.19 105.38 1xsi n GLY 13 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 3.97 -0.14 0.99 1.43 -0.94 -1.03 118.68 122.97 1xsi s LEU 14 Ca 0.00 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1xsi s LEU 14 Cb 0.00 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1xsi s LEU 14 CO 0.00 0.18 -0.11 0.20 0.23 0.00 0.00 176.35 176.85 1xsi s ASN 15 N 0.37 4.19 0.04 2.29 0.01 -0.21 -4.90 114.94 116.72 1xsi s ASN 15 Ca 0.05 -0.29 0.07 0.00 -0.71 0.00 0.00 52.86 51.98 1xsi s ASN 15 Cb -0.12 -1.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 1xsi s ASN 15 CO -0.01 0.16 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.80 1xsi s LEU 16 N 0.39 2.62 0.02 0.60 1.43 -1.26 -0.96 118.68 121.52 1xsi s LEU 16 Ca -0.09 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1xsi s LEU 16 Cb -0.15 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1xsi s LEU 16 CO 0.05 0.25 -0.05 0.27 0.23 0.00 0.00 176.35 177.10 1xsi s ILE 17 N -0.93 0.37 0.02 -0.59 -4.36 -0.82 -5.01 121.20 109.88 1xsi s ILE 17 Ca 0.15 -0.73 0.02 0.00 -0.26 0.00 0.00 60.65 59.83 1xsi s ILE 17 Cb -0.10 -0.42 -0.01 0.00 1.25 0.00 0.00 42.46 43.17 1xsi s ILE 17 CO 0.05 -0.25 -0.07 -1.00 0.24 0.00 0.00 174.94 173.92 1xsi s HIS 18 N -0.95 0.64 -0.08 1.37 3.76 -1.26 -1.09 115.29 117.67 1xsi s HIS 18 Ca -0.07 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1xsi s HIS 18 Cb -0.07 -0.39 -0.06 0.00 1.11 0.00 0.00 32.58 33.17 1xsi s HIS 18 CO -0.00 -0.04 1.76 -1.25 -0.85 0.00 0.00 174.74 174.36 1xsi s PRO 19 N -0.87 4.01 0.00 8.40 0.04 -1.26 -3.86 135.00 141.45 1xsi s PRO 19 Ca -0.03 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1xsi s PRO 19 Cb -0.06 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1xsi s PRO 19 CO 0.00 -1.07 0.00 1.28 0.04 0.00 0.00 177.00 177.25 1xsi n LEU 20 N 7.87 0.00 -3.65 -3.56 4.77 -0.16 -4.53 117.00 117.74 1xsi n LEU 20 Ca 0.19 -0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1xsi n LEU 20 Cb 0.43 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1xsi n LEU 20 CO 0.64 0.00 0.32 -1.58 -1.33 0.00 0.00 177.39 175.44 1xsi s GLN 21 N -1.51 0.68 -0.13 3.23 0.74 -0.91 -4.02 119.66 117.74 1xsi s GLN 21 Ca 0.00 1.16 -0.29 0.00 0.05 0.00 0.00 55.36 56.28 1xsi s GLN 21 Cb 0.00 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 1xsi s GLN 21 CO 0.00 -0.15 1.58 0.08 -0.55 0.00 0.00 175.29 176.25 1xsi s VAL 22 N 1.54 3.74 -0.14 1.34 1.01 -1.26 -0.84 120.40 125.79 1xsi s VAL 22 Ca -0.09 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 1xsi s VAL 22 Cb -0.05 -3.63 -0.24 0.00 0.00 0.00 0.00 36.38 32.45 1xsi s VAL 22 CO -0.18 -0.15 0.43 0.15 0.00 0.00 0.00 175.10 175.34 1xsi h PHE 23 N 9.75 0.27 -2.49 5.22 3.57 -0.78 -3.43 116.94 129.05 1xsi h PHE 23 Ca -0.35 -0.20 -0.09 0.00 3.53 0.00 0.00 57.97 60.86 1xsi h PHE 23 Cb 1.16 -0.01 -0.20 0.00 2.79 0.00 0.00 35.95 39.68 1xsi h PHE 23 CO 0.88 1.53 -0.04 -2.00 -2.23 0.00 0.00 178.31 176.45 1xsi s GLU 24 N -2.43 0.83 -0.08 1.11 2.12 -1.16 -5.01 118.70 114.08 1xsi s GLU 24 Ca -0.23 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.30 1xsi s GLU 24 Cb 0.05 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1xsi s GLU 24 CO 0.70 -0.23 -0.18 0.08 -0.54 0.00 0.00 175.26 175.09 1xsi s VAL 25 N -0.98 1.61 -0.07 3.70 1.01 -1.26 -1.08 120.40 123.33 1xsi s VAL 25 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1xsi s VAL 25 Cb -0.03 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1xsi s VAL 25 CO 0.06 0.46 -0.14 -0.70 0.00 0.00 0.00 175.10 174.78 1xsi s GLU 26 N 0.43 1.94 -0.21 2.72 2.12 -0.18 -5.00 118.70 120.53 1xsi s GLU 26 Ca -0.15 -0.50 -0.20 0.00 0.36 0.00 0.00 54.97 54.48 1xsi s GLU 26 Cb -0.16 -1.57 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 1xsi s GLU 26 CO 0.06 0.05 0.60 -1.14 -0.54 0.00 0.00 175.26 174.29 1xsi s GLN 27 N 0.63 4.18 -0.52 4.30 0.74 -1.26 -0.65 119.66 127.08 1xsi s GLN 27 Ca -0.15 0.55 0.02 0.00 0.05 0.00 0.00 55.36 55.82 1xsi s GLN 27 Cb -0.16 -3.59 0.13 0.00 1.10 0.00 0.00 33.01 30.49 1xsi s GLN 27 CO 0.04 -0.26 0.28 -0.65 -0.55 0.00 0.00 175.29 174.15 1xsi s GLN 28 N 2.00 2.09 7.93 1.67 -0.21 0.30 -4.99 119.66 128.44 1xsi s GLN 28 Ca 0.27 -2.46 0.00 0.00 0.02 0.00 0.00 55.36 53.19 1xsi s GLN 28 Cb -0.16 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.41 1xsi s GLN 28 CO 0.10 -1.11 0.00 -0.25 -2.12 0.00 0.00 175.29 171.91 1xsi n ASP 29 N 3.45 0.00 -1.31 5.90 8.00 -1.26 -1.91 116.55 129.42 1xsi n ASP 29 Ca 0.05 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.60 1xsi n ASP 29 Cb 0.36 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.70 1xsi n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1xsi n ASN 30 N 7.90 3.76 -4.21 -2.24 0.23 -1.26 -4.90 115.26 114.54 1xsi n ASN 30 Ca 0.00 -2.53 -0.25 0.00 -0.53 0.00 0.00 54.58 51.27 1xsi n ASN 30 Cb 0.00 -0.59 -0.15 0.00 -2.08 0.00 0.00 39.78 36.96 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 -2.02 1.41 -0.19 -3.83 2.02 -0.80 -4.63 118.70 110.66 1xsi s GLU 31 Ca 0.33 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 1xsi s GLU 31 Cb 0.24 -1.44 -0.01 0.00 0.10 0.00 0.00 34.13 33.02 1xsi s GLU 31 CO 0.10 0.38 -0.06 1.41 0.02 0.00 0.00 175.26 177.11 1xsi s MET 32 N -0.85 3.44 -0.13 1.61 -2.45 -0.53 -0.54 119.30 119.85 1xsi s MET 32 Ca 0.07 -0.62 -0.02 0.00 -1.25 0.00 0.00 55.69 53.87 1xsi s MET 32 Cb -0.08 -2.91 -0.02 0.00 1.25 0.00 0.00 34.83 33.06 1xsi s MET 32 CO 0.01 -0.02 -0.06 0.08 1.05 0.00 0.00 175.02 176.07 1xsi s VAL 33 N 1.02 3.66 -0.15 10.11 1.01 0.18 -1.20 120.40 135.04 1xsi s VAL 33 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1xsi s VAL 33 Cb -0.15 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1xsi s VAL 33 CO -0.00 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 1xsi s VAL 34 N 0.16 1.63 -0.18 2.92 1.01 0.23 -1.01 120.40 125.17 1xsi s VAL 34 Ca -0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1xsi s VAL 34 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1xsi s VAL 34 CO 0.03 0.47 0.50 -0.31 0.00 0.00 0.00 175.10 175.79 1xsi s TYR 35 N 1.39 3.41 -0.09 5.22 2.02 -0.24 -0.36 117.35 128.70 1xsi s TYR 35 Ca 0.03 0.80 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 1xsi s TYR 35 Cb -0.13 -2.63 0.02 0.00 -0.40 0.00 0.00 41.96 38.82 1xsi s TYR 35 CO -0.10 -0.02 -0.07 0.00 -1.57 0.00 0.00 175.55 173.80 1xsi s ALA 36 N 1.32 1.12 0.37 3.71 0.00 0.28 0.01 121.76 128.57 1xsi s ALA 36 Ca 0.24 -0.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 1xsi s ALA 36 Cb -0.15 -0.75 -0.10 0.00 0.00 0.00 0.00 23.12 22.12 1xsi s ALA 36 CO 0.10 -0.26 0.87 0.00 0.00 0.00 0.00 175.76 176.47 1xsi s ALA 37 N 1.43 3.17 -2.00 0.00 0.00 -0.02 -0.61 121.76 123.73 1xsi s ALA 37 Ca -0.01 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1xsi s ALA 37 Cb -0.13 -3.03 0.17 0.00 0.00 0.00 0.00 23.12 20.13 1xsi s ALA 37 CO -0.04 0.21 1.14 -0.35 0.00 0.00 0.00 175.76 176.71 1xsi n PRO 38 N -0.27 1.38 -3.83 0.00 -0.05 -1.25 -0.99 135.00 129.99 1xsi n PRO 38 Ca 0.05 -0.59 -0.07 0.00 -0.05 0.00 0.00 63.50 62.83 1xsi n PRO 38 Cb 0.53 -1.13 0.02 0.00 -0.05 0.00 0.00 33.50 32.86 1xsi n PRO 38 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 1xsi s ARG 39 N -1.78 1.96 -0.09 0.54 1.70 -1.26 -4.76 118.95 115.26 1xsi s ARG 39 Ca 0.12 -1.24 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 1xsi s ARG 39 Cb 0.06 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.96 1xsi s ARG 39 CO 0.08 -0.92 1.61 0.34 -1.08 0.00 0.00 175.30 175.33 1xsi s ASP 40 N -3.12 6.65 -0.23 -2.89 -1.08 -1.26 -4.66 116.67 110.09 1xsi s ASP 40 Ca 0.16 2.09 0.14 0.00 -0.52 0.00 0.00 52.55 54.42 1xsi s ASP 40 Cb -0.05 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.34 1xsi s ASP 40 CO 0.09 -0.96 1.17 1.33 0.52 0.00 0.00 175.17 177.33 1xsi n VAL 41 N 5.61 1.83 0.25 1.11 0.24 -1.26 -4.76 118.33 121.36 1xsi n VAL 41 Ca 0.17 -3.27 0.12 0.00 -2.04 0.00 0.00 64.34 59.32 1xsi n VAL 41 Cb 0.43 -0.07 0.63 0.00 -1.47 0.00 0.00 33.84 33.36 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 1.87 0.00 -5.88 7.34 3.08 -1.95 -3.44 114.38 115.40 1xsi h ARG 42 Ca 0.09 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.49 1xsi h ARG 42 Cb 1.40 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.37 1xsi h ARG 42 CO 0.37 0.15 -0.53 -1.21 -1.07 0.00 0.00 179.97 177.67 1xsi s GLU 43 N -3.91 3.26 0.45 0.04 2.02 -1.26 -5.02 118.70 114.29 1xsi s GLU 43 Ca -0.01 -0.37 0.12 0.00 0.02 0.00 0.00 54.97 54.72 1xsi s GLU 43 Cb 0.11 -2.99 1.03 0.00 0.10 0.00 0.00 34.13 32.38 1xsi s GLU 43 CO 0.59 0.68 2.07 0.00 0.02 0.00 0.00 175.26 178.62 1xsi h ARG 44 N 4.12 0.34 0.00 1.61 2.47 -1.98 -1.70 114.38 119.24 1xsi h ARG 44 Ca -0.50 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1xsi h ARG 44 Cb 1.19 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1xsi h ARG 44 CO 0.64 0.22 -0.02 0.00 0.56 0.00 0.00 179.97 181.38 1xsi h THR 45 N 0.35 0.12 -0.44 2.04 1.03 -1.96 0.69 112.91 114.73 1xsi h THR 45 Ca 0.14 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 1xsi h THR 45 Cb 0.12 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1xsi h THR 45 CO -0.03 0.02 0.00 0.79 -0.01 0.00 0.00 175.52 176.29 1xsi n TRP 46 N -3.21 0.57 -1.18 0.00 7.02 -0.64 -4.55 117.44 115.45 1xsi n TRP 46 Ca -0.02 -0.31 -0.25 0.00 -1.02 0.00 0.00 57.50 55.90 1xsi n TRP 46 Cb 0.16 -0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.09 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 1.40 2.22 -3.66 -0.99 6.02 0.23 -4.81 117.38 117.79 1xsi n GLN 47 Ca 0.19 -2.31 -0.03 0.00 -0.01 0.00 0.00 57.00 54.84 1xsi n GLN 47 Cb 0.58 -1.94 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.60 -0.17 -1.34 1.08 0.05 -1.26 -5.01 118.68 109.43 1xsi s LEU 48 Ca 0.47 -0.23 -0.02 0.00 0.05 0.00 0.00 54.13 54.40 1xsi s LEU 48 Cb 0.36 1.85 0.01 0.00 -2.05 0.00 0.00 46.19 46.35 1xsi s LEU 48 CO -0.07 -0.63 0.71 0.47 -0.55 0.00 0.00 176.35 176.28 1xsi n ASP 49 N -0.41 -1.48 -3.66 1.48 8.00 -1.26 -5.00 116.55 114.22 1xsi n ASP 49 Ca -0.07 -0.83 -0.15 0.00 0.71 0.00 0.00 54.79 54.46 1xsi n ASP 49 Cb 0.61 -3.95 -0.08 0.00 -0.02 0.00 0.00 41.12 37.68 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 -3.66 0.01 0.98 -3.53 -1.32 -1.26 -5.15 115.64 101.72 1xsi s THR 50 Ca 0.08 -0.10 -0.12 0.00 -1.21 0.00 0.00 61.69 60.34 1xsi s THR 50 Cb -0.04 -0.80 0.18 0.00 -1.51 0.00 0.00 72.50 70.33 1xsi s THR 50 CO 0.82 -0.05 1.09 -2.84 -2.21 0.00 0.00 174.62 171.42 1xsi s PRO 51 N -0.41 0.55 -0.20 7.08 0.02 -1.26 -5.07 135.00 135.70 1xsi s PRO 51 Ca -0.06 0.67 -0.13 0.00 0.02 0.00 0.00 61.00 61.51 1xsi s PRO 51 Cb -0.03 -1.74 0.06 0.00 0.02 0.00 0.00 34.50 32.81 1xsi s PRO 51 CO 0.04 -2.69 0.51 -1.17 -0.33 0.00 0.00 177.00 173.36 1xsi s LEU 52 N -6.47 -0.28 0.02 -5.54 0.20 -1.26 -4.16 118.68 101.18 1xsi s LEU 52 Ca 0.65 1.09 -0.02 0.00 0.69 0.00 0.00 54.13 56.54 1xsi s LEU 52 Cb -0.19 1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 47.24 1xsi s LEU 52 CO 0.58 -0.20 0.20 -0.36 -0.29 0.00 0.00 176.35 176.27 1xsi s PHE 53 N 1.21 3.54 -0.24 5.38 0.40 0.21 -4.81 117.98 123.68 1xsi s PHE 53 Ca -0.08 0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.58 1xsi s PHE 53 Cb -0.06 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.69 1xsi s PHE 53 CO -0.12 0.63 -0.09 0.99 0.70 0.00 0.00 175.22 177.33 1xsi s THR 54 N -1.39 2.65 -0.15 0.64 2.01 -0.78 -0.55 115.64 118.06 1xsi s THR 54 Ca 0.30 -1.12 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 1xsi s THR 54 Cb -0.13 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1xsi s THR 54 CO 0.22 0.20 0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 1xsi s LEU 55 N 1.28 3.72 -0.09 4.42 1.02 0.51 -1.01 118.68 128.53 1xsi s LEU 55 Ca -0.01 0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.26 1xsi s LEU 55 Cb -0.17 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.14 1xsi s LEU 55 CO -0.06 0.23 -0.18 -0.60 0.02 0.00 0.00 176.35 175.76 1xsi s ARG 56 N 0.00 2.40 -0.18 1.70 3.52 0.35 -0.60 118.95 126.14 1xsi s ARG 56 Ca 0.05 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 1xsi s ARG 56 Cb -0.12 -1.89 -0.02 0.00 -1.56 0.00 0.00 34.95 31.36 1xsi s ARG 56 CO 0.01 0.09 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.49 1xsi s PHE 57 N 0.55 2.98 0.21 5.12 0.08 -0.34 -1.07 117.98 125.51 1xsi s PHE 57 Ca -0.16 -0.55 -0.08 0.00 0.12 0.00 0.00 56.93 56.26 1xsi s PHE 57 Cb -0.17 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 1xsi s PHE 57 CO 0.06 -0.25 0.32 -0.59 -0.10 0.00 0.00 175.22 174.66 1xsi s PHE 58 N 0.83 0.58 -0.20 0.36 -0.71 -0.92 -1.45 117.98 116.46 1xsi s PHE 58 Ca -0.01 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 54.98 1xsi s PHE 58 Cb -0.15 -0.09 0.05 0.00 -1.21 0.00 0.00 43.02 41.62 1xsi s PHE 58 CO 0.02 -0.81 -0.08 0.45 -1.34 0.00 0.00 175.22 173.45 1xsi s SER 59 N -3.04 3.44 0.39 1.98 0.15 -1.26 -0.06 113.70 115.31 1xsi s SER 59 Ca 0.25 -0.94 0.21 0.00 0.70 0.00 0.00 55.95 56.18 1xsi s SER 59 Cb 0.03 -1.18 0.41 0.00 -1.71 0.00 0.00 66.02 63.57 1xsi s SER 59 CO 0.07 -0.17 1.61 1.55 1.20 0.00 0.00 173.24 177.50 1xsi h PRO 60 N 7.99 0.00 -3.10 5.44 0.13 -1.80 -3.42 132.00 137.24 1xsi h PRO 60 Ca -0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 1xsi h PRO 60 Cb 1.09 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.05 1xsi h PRO 60 CO 0.45 0.20 -0.15 -0.65 -0.23 0.00 0.00 178.00 177.62 1xsi s GLN 61 N -3.22 0.88 0.26 0.86 -1.52 -1.26 -0.43 119.66 115.22 1xsi s GLN 61 Ca 0.05 -0.39 -0.31 0.00 -1.95 0.00 0.00 55.36 52.76 1xsi s GLN 61 Cb 0.07 0.39 -0.13 0.00 -0.22 0.00 0.00 33.01 33.11 1xsi s GLN 61 CO 0.68 -0.29 1.34 -1.91 -0.25 0.00 0.00 175.29 174.86 1xsi n GLU 62 N 0.56 1.94 -1.08 2.91 0.00 -1.26 -1.36 120.64 122.34 1xsi n GLU 62 Ca -0.19 0.69 -0.03 0.00 0.00 0.00 0.00 57.16 57.63 1xsi n GLU 62 Cb 0.60 -2.30 -0.01 0.00 0.00 0.00 0.00 31.44 29.72 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 1.84 0.49 3.21 8.31 0.00 -1.14 -4.94 105.19 112.96 1xsi n GLY 63 Ca 0.10 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.73 2.29 -0.23 -0.61 1.01 -0.47 -1.54 121.20 119.92 1xsi s ILE 64 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1xsi s ILE 64 Cb 0.00 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1xsi s ILE 64 CO 0.00 0.54 -0.06 -0.69 0.00 0.00 0.00 174.94 174.73 1xsi s VAL 65 N 0.74 3.09 0.10 2.92 1.01 0.19 -4.21 120.40 124.25 1xsi s VAL 65 Ca -0.08 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1xsi s VAL 65 Cb -0.16 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 1xsi s VAL 65 CO 0.00 0.32 0.85 -0.83 0.00 0.00 0.00 175.10 175.45 1xsi s GLY 66 N 1.40 2.92 -0.18 4.51 0.00 0.91 -1.16 107.32 115.72 1xsi s GLY 66 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1xsi s GLY 66 CO -0.04 1.21 -0.07 0.14 0.00 0.00 0.00 173.10 174.33 1xsi s VAL 67 N -0.28 1.32 -0.25 1.40 1.01 0.42 -2.17 120.40 121.84 1xsi s VAL 67 Ca 0.41 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1xsi s VAL 67 Cb -0.22 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1xsi s VAL 67 CO 0.27 0.13 -0.01 -0.60 0.00 0.00 0.00 175.10 174.89 1xsi s ARG 68 N 1.54 3.09 -0.21 2.72 3.52 -0.23 -1.23 118.95 128.14 1xsi s ARG 68 Ca -0.00 -0.83 -0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1xsi s ARG 68 Cb -0.16 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1xsi s ARG 68 CO -0.08 -0.35 -0.06 -1.50 -0.81 0.00 0.00 175.30 172.50 1xsi s ILE 69 N 1.43 3.26 -0.01 4.11 2.07 0.80 -0.50 121.20 132.37 1xsi s ILE 69 Ca 0.03 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 58.80 1xsi s ILE 69 Cb -0.16 -2.48 -0.03 0.00 0.13 0.00 0.00 42.46 39.93 1xsi s ILE 69 CO -0.02 0.43 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.65 1xsi s GLU 70 N 1.44 2.24 0.00 3.50 2.02 -0.18 -0.41 118.70 127.31 1xsi s GLU 70 Ca 0.05 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1xsi s GLU 70 Cb -0.14 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1xsi s GLU 70 CO -0.04 0.58 0.00 1.58 0.02 0.00 0.00 175.26 177.40 1xsi n HIS 71 N 2.10 0.00 -3.20 1.61 -0.00 0.88 -1.87 115.22 114.74 1xsi n HIS 71 Ca -0.17 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 30.45 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 0.42 3.53 -0.83 1.57 0.08 -1.24 -4.84 117.98 116.67 1xsi s PHE 72 Ca 0.00 1.02 0.26 0.00 0.12 0.00 0.00 56.93 58.33 1xsi s PHE 72 Cb 0.00 -2.66 0.72 0.00 -0.57 0.00 0.00 43.02 40.51 1xsi s PHE 72 CO 0.00 0.12 1.61 1.04 -0.10 0.00 0.00 175.22 177.89 1xsi n GLN 73 N 3.80 0.15 0.00 0.44 6.02 -1.26 -4.04 117.38 122.49 1xsi n GLN 73 Ca -0.05 0.08 0.10 0.00 -0.01 0.00 0.00 57.00 57.12 1xsi n GLN 73 Cb 0.51 -1.63 0.53 0.00 1.02 0.00 0.00 30.24 30.67 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 -0.78 3.75 1.08 0.00 -1.26 -4.86 105.19 104.52 1xsi n GLY 74 Ca 0.05 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.32 2.21 0.14 4.61 0.00 -1.26 -4.96 121.76 120.19 1xsi s ALA 75 Ca 0.23 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.52 1xsi s ALA 75 Cb 0.13 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1xsi s ALA 75 CO 0.26 -1.74 1.70 -0.07 0.00 0.00 0.00 175.76 175.91 1xsi h LEU 76 N -0.73 0.56 -3.51 0.00 3.38 -1.97 -3.48 115.31 109.56 1xsi h LEU 76 Ca -0.45 -0.15 -0.43 0.00 0.09 0.00 0.00 57.88 56.94 1xsi h LEU 76 Cb 1.25 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xsi h LEU 76 CO 0.51 0.55 -0.90 0.59 0.09 0.00 0.00 178.44 179.28 1xsi n ASN 77 N -4.65 -5.20 -4.87 -0.43 5.03 -1.26 -4.99 115.26 98.88 1xsi n ASN 77 Ca 0.00 -0.92 -0.31 0.00 0.87 0.00 0.00 54.58 54.22 1xsi n ASN 77 Cb 0.13 -2.44 0.00 0.00 -1.02 0.00 0.00 39.78 36.45 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 -3.17 6.27 1.04 6.41 0.01 -1.26 -5.11 114.94 119.13 1xsi s ASN 78 Ca 0.17 1.42 -0.09 0.00 -0.71 0.00 0.00 52.86 53.66 1xsi s ASN 78 Cb -0.08 -2.47 0.13 0.00 0.41 0.00 0.00 41.25 39.24 1xsi s ASN 78 CO 0.89 -0.83 0.62 0.61 -1.51 0.00 0.00 177.10 176.88 1xsi n GLY 79 N -2.61 -1.75 3.83 0.66 0.00 -1.26 -4.66 105.19 99.40 1xsi n GLY 79 Ca 0.06 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1xsi n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsi s PRO 80 N -4.37 2.56 0.25 1.61 0.04 -1.26 -0.08 135.00 133.75 1xsi s PRO 80 Ca 0.37 0.69 0.10 0.00 0.04 0.00 0.00 61.00 62.20 1xsi s PRO 80 Cb -0.02 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1xsi s PRO 80 CO 0.27 -1.30 -0.09 -1.01 0.04 0.00 0.00 177.00 174.90 1xsi s HIS 81 N -3.17 2.54 0.60 0.56 3.76 -1.26 -4.86 115.29 113.46 1xsi s HIS 81 Ca 0.59 -0.26 -0.19 0.00 -0.15 0.00 0.00 55.06 55.05 1xsi s HIS 81 Cb -0.13 -1.14 -0.03 0.00 1.11 0.00 0.00 32.58 32.38 1xsi s HIS 81 CO 0.54 0.63 1.27 0.71 -0.85 0.00 0.00 174.74 177.04 1xsi s TYR 82 N -2.25 2.28 -1.56 1.40 2.02 -1.26 -4.87 117.35 113.11 1xsi s TYR 82 Ca 0.29 1.48 -0.10 0.00 -0.37 0.00 0.00 57.07 58.37 1xsi s TYR 82 Cb -0.06 -3.62 -0.08 0.00 -0.40 0.00 0.00 41.96 37.80 1xsi s TYR 82 CO 0.17 -2.58 2.85 -0.35 -1.57 0.00 0.00 175.55 174.08 1xsi n PRO 83 N -1.54 3.51 -2.59 -1.71 -0.04 -1.26 -4.94 135.00 126.43 1xsi n PRO 83 Ca 0.13 -2.16 -0.39 0.00 -0.04 0.00 0.00 63.50 61.05 1xsi n PRO 83 Cb 0.48 -2.80 -0.05 0.00 -0.04 0.00 0.00 33.50 31.09 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 0.29 4.43 -0.55 1.53 1.02 -1.26 -4.73 118.68 119.41 1xsi s LEU 84 Ca 0.66 2.08 -0.21 0.00 0.02 0.00 0.00 54.13 56.68 1xsi s LEU 84 Cb 0.17 -3.83 0.06 0.00 0.02 0.00 0.00 46.19 42.61 1xsi s LEU 84 CO -0.06 -0.16 0.78 0.20 0.02 0.00 0.00 176.35 177.13 1xsi s ASN 85 N -1.23 6.25 -0.29 2.29 0.01 0.59 -5.02 114.94 117.55 1xsi s ASN 85 Ca 0.48 -0.80 -0.04 0.00 -0.71 0.00 0.00 52.86 51.79 1xsi s ASN 85 Cb -0.26 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.07 1xsi s ASN 85 CO 0.33 -1.10 0.02 -0.63 -1.51 0.00 0.00 177.10 174.21 1xsi s ILE 86 N 3.27 3.38 0.22 0.60 1.01 -1.26 -4.75 121.20 123.67 1xsi s ILE 86 Ca 0.21 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 1xsi s ILE 86 Cb -0.17 -2.79 -0.09 0.00 0.01 0.00 0.00 42.46 39.42 1xsi s ILE 86 CO 0.13 0.05 0.84 -0.76 0.00 0.00 0.00 174.94 175.20 1xsi s LEU 87 N 1.38 4.51 0.00 2.97 1.43 0.43 -5.00 118.68 124.40 1xsi s LEU 87 Ca -0.00 1.71 0.25 0.00 -1.03 0.00 0.00 54.13 55.06 1xsi s LEU 87 Cb -0.18 -3.56 0.54 0.00 0.03 0.00 0.00 46.19 43.02 1xsi s LEU 87 CO -0.01 0.11 1.43 0.00 0.23 0.00 0.00 176.35 178.12 1xsi n GLN 88 N 1.21 1.06 -1.05 1.70 1.13 -1.26 -4.50 117.38 115.66 1xsi n GLN 88 Ca -0.03 -0.73 0.05 0.00 -1.94 0.00 0.00 57.00 54.35 1xsi n GLN 88 Cb 0.49 -1.48 0.09 0.00 0.11 0.00 0.00 30.24 29.44 1xsi n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsi n ASP 89 N -0.34 1.21 -4.76 1.08 5.75 -1.26 -5.01 116.55 113.22 1xsi n ASP 89 Ca 0.12 -2.67 -0.41 0.00 -0.01 0.00 0.00 54.79 51.82 1xsi n ASP 89 Cb 0.39 -0.37 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1xsi n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xsi s VAL 90 N -1.19 2.31 -0.21 2.12 1.01 -1.26 -4.93 120.40 118.25 1xsi s VAL 90 Ca 0.32 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.29 1xsi s VAL 90 Cb 0.34 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1xsi s VAL 90 CO -0.11 0.05 1.00 -0.75 0.00 0.00 0.00 175.10 175.29 1xsi s LYS 91 N -0.95 4.28 0.15 2.72 2.20 -1.26 -5.01 119.74 121.88 1xsi s LYS 91 Ca 0.58 1.31 0.04 0.00 -0.36 0.00 0.00 55.97 57.54 1xsi s LYS 91 Cb -0.45 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1xsi s LYS 91 CO 0.50 -0.55 -0.09 0.14 -0.36 0.00 0.00 175.35 175.00 1xsi s VAL 92 N 2.90 1.13 -0.10 4.02 -7.23 -1.26 -4.44 120.40 115.43 1xsi s VAL 92 Ca 0.44 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1xsi s VAL 92 Cb -0.16 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 1xsi s VAL 92 CO 0.09 -0.72 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.10 1xsi s THR 93 N -3.35 2.71 -0.15 5.32 2.01 -0.63 -4.97 115.64 116.57 1xsi s THR 93 Ca 0.17 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1xsi s THR 93 Cb 0.03 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1xsi s THR 93 CO 0.01 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 1xsi s ILE 94 N 0.04 1.88 -0.15 1.82 1.01 -1.26 -0.86 121.20 123.68 1xsi s ILE 94 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1xsi s ILE 94 Cb -0.15 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.65 1xsi s ILE 94 CO 0.05 0.51 -0.11 -1.83 0.00 0.00 0.00 174.94 173.56 1xsi s GLU 95 N 1.15 2.03 -0.47 2.79 -1.05 -0.56 -5.02 118.70 117.56 1xsi s GLU 95 Ca -0.00 -0.55 -0.07 0.00 -0.15 0.00 0.00 54.97 54.20 1xsi s GLU 95 Cb -0.14 -2.06 0.12 0.00 -0.44 0.00 0.00 34.13 31.61 1xsi s GLU 95 CO -0.08 -0.30 0.32 1.21 0.95 0.00 0.00 175.26 177.37 1xsi s ASN 96 N 1.53 5.55 0.49 0.83 2.47 -1.26 -1.86 114.94 122.69 1xsi s ASN 96 Ca 0.03 -2.05 0.03 0.00 0.42 0.00 0.00 52.86 51.29 1xsi s ASN 96 Cb -0.14 -1.95 0.03 0.00 -1.45 0.00 0.00 41.25 37.75 1xsi s ASN 96 CO -0.10 -0.62 0.22 0.35 -3.72 0.00 0.00 177.10 173.24 1xsi n THR 97 N 4.67 0.00 -0.28 -5.21 -2.24 -0.18 -5.03 114.28 106.01 1xsi n THR 97 Ca -0.04 -2.10 -0.02 0.00 -2.27 0.00 0.00 64.05 59.62 1xsi n THR 97 Cb 0.41 0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.88 1xsi n THR 97 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xsi h GLU 98 N 0.00 0.90 0.05 -0.78 4.81 -2.03 -3.28 114.58 114.25 1xsi h GLU 98 Ca -0.35 -0.05 -0.35 0.00 -0.13 0.00 0.00 59.36 58.48 1xsi h GLU 98 Cb 1.18 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1xsi h GLU 98 CO 0.56 0.60 -2.04 -2.13 -0.73 0.00 0.00 179.01 175.27 1xsi n ARG 99 N -4.63 0.69 -3.94 1.92 0.63 -1.26 -4.77 116.66 105.30 1xsi n ARG 99 Ca 0.09 0.22 -0.08 0.00 -0.92 0.00 0.00 57.85 57.16 1xsi n ARG 99 Cb 0.11 -1.68 -0.09 0.00 0.45 0.00 0.00 32.46 31.26 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 -2.56 0.26 -0.13 -0.14 4.12 -1.24 -0.88 117.35 116.79 1xsi s TYR 100 Ca -0.17 -0.69 0.00 0.00 0.02 0.00 0.00 57.07 56.24 1xsi s TYR 100 Cb 0.07 -0.17 0.02 0.00 -1.52 0.00 0.00 41.96 40.37 1xsi s TYR 100 CO 0.77 -0.45 -0.11 0.00 0.02 0.00 0.00 175.55 175.77 1xsi s ALA 101 N -3.54 1.59 -0.08 3.71 0.00 -0.55 -1.01 121.76 121.88 1xsi s ALA 101 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1xsi s ALA 101 Cb 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1xsi s ALA 101 CO -0.09 -0.34 -0.14 -2.00 0.00 0.00 0.00 175.76 173.19 1xsi s GLU 102 N 1.49 1.94 -0.18 0.00 2.12 -0.78 -0.35 118.70 122.95 1xsi s GLU 102 Ca 0.03 -0.48 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 1xsi s GLU 102 Cb -0.13 -1.62 -0.00 0.00 0.26 0.00 0.00 34.13 32.64 1xsi s GLU 102 CO -0.08 0.00 -0.12 0.12 -0.54 0.00 0.00 175.26 174.64 1xsi s PHE 103 N 0.78 2.85 -0.04 5.30 5.36 0.38 -1.50 117.98 131.10 1xsi s PHE 103 Ca -0.12 -1.07 0.06 0.00 -0.96 0.00 0.00 56.93 54.84 1xsi s PHE 103 Cb -0.16 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 1xsi s PHE 103 CO 0.02 -0.53 -0.23 0.21 -1.46 0.00 0.00 175.22 173.23 1xsi s LYS 104 N 1.08 2.18 -0.18 10.12 2.20 -0.04 -0.37 119.74 134.73 1xsi s LYS 104 Ca -0.00 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1xsi s LYS 104 Cb -0.15 -1.92 0.06 0.00 -1.51 0.00 0.00 37.83 34.31 1xsi s LYS 104 CO -0.03 0.39 0.03 0.45 -0.36 0.00 0.00 175.35 175.83 1xsi s SER 105 N -0.23 2.71 1.60 1.43 0.15 0.13 -1.61 113.70 117.89 1xsi s SER 105 Ca 0.00 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1xsi s SER 105 Cb -0.12 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1xsi s SER 105 CO 0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1xsi n GLY 106 N 5.07 3.20 0.30 9.45 0.00 -1.26 -1.82 105.19 120.13 1xsi n GLY 106 Ca -0.09 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 8.10 1.35 -4.76 1.61 3.02 -1.26 -4.91 115.26 118.41 1xsi n ASN 107 Ca 0.00 -1.08 -0.36 0.00 -0.03 0.00 0.00 54.58 53.11 1xsi n ASN 107 Cb 0.00 0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.41 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 -2.56 4.27 0.12 3.41 2.96 -0.76 -1.99 118.68 124.14 1xsi s LEU 108 Ca 0.20 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 1xsi s LEU 108 Cb 0.19 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1xsi s LEU 108 CO 0.57 0.20 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.76 1xsi s SER 109 N 0.06 1.71 -0.15 3.68 1.04 -0.08 0.23 113.70 120.19 1xsi s SER 109 Ca 0.13 -0.90 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 1xsi s SER 109 Cb -0.12 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1xsi s SER 109 CO 0.02 -0.27 -0.11 0.00 0.98 0.00 0.00 173.24 173.86 1xsi s ALA 110 N -2.78 2.69 -0.12 5.32 0.00 0.50 -0.26 121.76 127.10 1xsi s ALA 110 Ca 0.11 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1xsi s ALA 110 Cb -0.01 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.80 1xsi s ALA 110 CO 0.01 0.11 -0.14 0.50 0.00 0.00 0.00 175.76 176.24 1xsi s ARG 111 N 0.57 2.18 -0.18 0.00 3.52 0.81 -0.47 118.95 125.37 1xsi s ARG 111 Ca -0.07 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 54.92 1xsi s ARG 111 Cb -0.15 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 1xsi s ARG 111 CO 0.03 -0.12 0.07 0.08 -0.81 0.00 0.00 175.30 174.55 1xsi s VAL 112 N 1.16 4.88 -0.06 7.11 1.01 0.53 -0.79 120.40 134.23 1xsi s VAL 112 Ca -0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1xsi s VAL 112 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1xsi s VAL 112 CO -0.04 0.47 0.99 -0.44 0.00 0.00 0.00 175.10 176.08 1xsi s SER 113 N 0.29 7.29 0.63 3.32 0.01 -0.06 -1.48 113.70 123.69 1xsi s SER 113 Ca 0.04 1.58 -0.09 0.00 1.31 0.00 0.00 55.95 58.80 1xsi s SER 113 Cb -0.12 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 1xsi s SER 113 CO -0.00 -0.37 0.98 -0.54 0.41 0.00 0.00 173.24 173.72 1xsi s LYS 114 N 1.61 3.07 1.31 12.44 1.02 -0.06 -4.11 119.74 135.03 1xsi s LYS 114 Ca 0.50 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.80 1xsi s LYS 114 Cb -0.19 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1xsi s LYS 114 CO 0.22 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1xsi n GLY 115 N -2.73 -1.60 0.22 -3.33 0.00 -1.26 -4.55 105.19 91.94 1xsi n GLY 115 Ca 0.05 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.48 -5.55 1.61 4.81 -1.93 -3.37 114.58 109.67 1xsi h GLU 116 Ca 0.00 0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.59 1xsi h GLU 116 Cb 0.00 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.37 1xsi h GLU 116 CO 0.00 -0.27 1.62 -0.06 -0.73 0.00 0.00 179.01 179.57 1xsi s PHE 117 N -5.78 2.92 0.31 0.92 0.08 -1.26 -4.84 117.98 110.33 1xsi s PHE 117 Ca -0.15 -1.50 -0.28 0.00 0.12 0.00 0.00 56.93 55.12 1xsi s PHE 117 Cb 0.04 -4.57 -0.13 0.00 -0.57 0.00 0.00 43.02 37.79 1xsi s PHE 117 CO 0.62 -1.70 1.21 1.87 -0.10 0.00 0.00 175.22 177.11 1xsi n TRP 118 N 7.64 1.91 -3.67 0.36 -0.00 -1.26 -4.76 117.44 117.67 1xsi n TRP 118 Ca 0.38 0.59 -0.14 0.00 -0.00 0.00 0.00 57.50 58.34 1xsi n TRP 118 Cb 0.47 -2.36 -0.08 0.00 -0.00 0.00 0.00 31.31 29.34 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 -0.32 -0.59 -0.26 5.87 0.15 -1.26 -4.10 113.70 113.20 1xsi s SER 119 Ca 0.58 1.09 0.03 0.00 0.70 0.00 0.00 55.95 58.35 1xsi s SER 119 Cb -0.63 1.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.85 1xsi s SER 119 CO 0.60 -0.23 -0.11 -0.22 1.20 0.00 0.00 173.24 174.48 1xsi s LEU 120 N 0.15 3.44 -0.06 3.45 0.20 -0.79 -0.89 118.68 124.18 1xsi s LEU 120 Ca -0.01 -1.40 0.02 0.00 0.69 0.00 0.00 54.13 53.43 1xsi s LEU 120 Cb -0.04 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 1xsi s LEU 120 CO 0.01 -0.19 -0.11 -1.81 -0.29 0.00 0.00 176.35 173.97 1xsi s ASP 121 N 1.10 4.34 -0.21 3.68 1.01 0.03 0.06 116.67 126.68 1xsi s ASP 121 Ca -0.09 -0.11 -0.08 0.00 0.71 0.00 0.00 52.55 52.98 1xsi s ASP 121 Cb -0.20 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.66 1xsi s ASP 121 CO -0.05 0.35 0.10 -0.36 0.21 0.00 0.00 175.17 175.42 1xsi s PHE 122 N -0.74 3.24 -0.02 4.23 0.08 -0.63 -0.14 117.98 124.01 1xsi s PHE 122 Ca 0.11 0.04 0.07 0.00 0.12 0.00 0.00 56.93 57.27 1xsi s PHE 122 Cb -0.11 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 1xsi s PHE 122 CO 0.01 0.03 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.43 1xsi s LEU 123 N 0.83 2.29 -0.21 -0.37 1.02 0.64 -0.46 118.68 122.42 1xsi s LEU 123 Ca 0.05 -0.41 -0.00 0.00 0.02 0.00 0.00 54.13 53.79 1xsi s LEU 123 Cb -0.13 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.69 1xsi s LEU 123 CO 0.02 0.31 -0.14 -0.60 0.02 0.00 0.00 176.35 175.97 1xsi s ARG 124 N -0.78 2.98 -1.31 1.70 3.52 0.97 -0.91 118.95 125.12 1xsi s ARG 124 Ca 0.11 -0.86 -0.26 0.00 -0.13 0.00 0.00 55.73 54.60 1xsi s ARG 124 Cb -0.10 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1xsi s ARG 124 CO 0.00 -0.27 0.50 0.09 -0.81 0.00 0.00 175.30 174.81 1xsi n ASN 125 N 4.65 -2.73 0.00 -2.12 3.02 -0.84 -0.57 115.26 116.67 1xsi n ASN 125 Ca -0.19 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 1xsi n ASN 125 Cb 0.49 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1xsi n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsi n GLY 126 N -2.23 0.23 3.63 7.41 0.00 -1.26 -4.99 105.19 107.98 1xsi n GLY 126 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.95 3.63 -0.17 1.61 2.02 0.26 -5.02 118.70 120.09 1xsi s GLU 127 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 1xsi s GLU 127 Cb 0.00 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 1xsi s GLU 127 CO 0.00 0.41 1.87 0.50 0.02 0.00 0.00 175.26 178.05 1xsi s ARG 128 N -0.04 3.67 -0.04 1.61 3.52 -1.26 -0.02 118.95 126.40 1xsi s ARG 128 Ca 0.05 1.97 0.18 0.00 -0.13 0.00 0.00 55.73 57.80 1xsi s ARG 128 Cb -0.12 -4.16 -0.22 0.00 -1.56 0.00 0.00 34.95 28.89 1xsi s ARG 128 CO 0.02 -1.46 0.52 0.44 -0.81 0.00 0.00 175.30 174.00 1xsi n ILE 129 N 6.62 0.96 -3.17 4.11 -5.35 0.40 -4.92 119.36 118.01 1xsi n ILE 129 Ca 0.22 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 1xsi n ILE 129 Cb 0.44 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 -2.70 0.00 0.00 7.28 5.66 -1.21 -4.87 114.28 118.44 1xsi n THR 130 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1xsi n THR 130 Cb 0.87 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 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 0.00 -0.20 2.94 1.09 0.00 -1.26 -1.61 105.19 106.15 1xsi n GLY 131 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 3.15 0.56 1.61 0.15 0.11 -0.92 113.70 118.35 1xsi s SER 132 Ca 0.00 -0.80 -0.15 0.00 0.70 0.00 0.00 55.95 55.70 1xsi s SER 132 Cb 0.00 -1.08 -0.06 0.00 -1.71 0.00 0.00 66.02 63.18 1xsi s SER 132 CO 0.00 -0.17 1.02 -1.10 1.20 0.00 0.00 173.24 174.19 1xsi s GLN 133 N 1.51 3.66 0.23 5.44 -0.21 -1.26 -1.89 119.66 127.13 1xsi s GLN 133 Ca -0.01 1.01 -0.30 0.00 0.02 0.00 0.00 55.36 56.08 1xsi s GLN 133 Cb -0.16 -2.09 -0.15 0.00 1.00 0.00 0.00 33.01 31.61 1xsi s GLN 133 CO -0.08 -0.52 1.02 1.55 -2.12 0.00 0.00 175.29 175.14 1xsi n VAL 134 N -1.93 1.51 -0.87 1.09 3.14 -1.26 -1.75 118.33 118.26 1xsi n VAL 134 Ca 0.07 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1xsi n VAL 134 Cb 0.54 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.51 1xsi n VAL 134 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xsi n LYS 135 N 1.19 -0.16 -0.41 1.45 5.02 -1.26 -4.86 118.16 119.13 1xsi n LYS 135 Ca 0.13 0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 1xsi n LYS 135 Cb 0.28 -3.28 0.26 0.00 -0.02 0.00 0.00 35.03 32.26 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 -0.08 3.43 -3.60 4.39 3.02 -0.72 -4.90 115.26 116.80 1xsi n ASN 136 Ca 0.00 -2.23 -0.14 0.00 -0.03 0.00 0.00 54.58 52.18 1xsi n ASN 136 Cb 0.04 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 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 -0.85 0.67 0.00 6.41 2.20 -1.26 -1.26 114.94 120.84 1xsi s ASN 137 Ca 0.37 -1.39 0.00 0.00 -0.94 0.00 0.00 52.86 50.90 1xsi s ASN 137 Cb 0.23 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 40.05 1xsi s ASN 137 CO 0.20 -1.14 0.00 0.61 -2.94 0.00 0.00 177.10 173.83 1xsi n GLY 138 N -0.48 0.70 3.20 0.45 0.00 -0.98 -4.35 105.19 103.74 1xsi n GLY 138 Ca 0.02 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 1xsi n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsi s TYR 139 N -2.90 2.10 -0.20 1.61 5.04 -0.25 -1.30 117.35 121.45 1xsi s TYR 139 Ca 0.00 -0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 54.00 1xsi s TYR 139 Cb 0.00 -1.39 0.01 0.00 0.35 0.00 0.00 41.96 40.93 1xsi s TYR 139 CO 0.00 -0.20 -0.14 0.08 -1.34 0.00 0.00 175.55 173.96 1xsi s VAL 140 N -0.05 2.54 -0.42 3.14 1.01 0.30 -1.94 120.40 124.98 1xsi s VAL 140 Ca -0.04 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1xsi s VAL 140 Cb -0.13 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1xsi s VAL 140 CO 0.03 0.44 0.41 -1.58 0.00 0.00 0.00 175.10 174.40 1xsi s GLN 141 N 1.34 3.09 -0.73 2.72 0.74 -0.14 -0.82 119.66 125.86 1xsi s GLN 141 Ca 0.04 -0.80 -0.21 0.00 0.05 0.00 0.00 55.36 54.44 1xsi s GLN 141 Cb -0.14 -3.96 0.09 0.00 1.10 0.00 0.00 33.01 30.09 1xsi s GLN 141 CO -0.09 -0.82 1.00 0.34 -0.55 0.00 0.00 175.29 175.18 1xsi s ASP 142 N 1.78 6.30 0.00 6.67 -1.08 0.69 -1.05 116.67 129.99 1xsi s ASP 142 Ca 0.11 -1.30 0.27 0.00 -0.52 0.00 0.00 52.55 51.11 1xsi s ASP 142 Cb -0.17 -2.41 1.55 0.00 -1.46 0.00 0.00 42.92 40.42 1xsi s ASP 142 CO 0.13 -1.33 1.95 0.35 0.52 0.00 0.00 175.17 176.79 1xsi n THR 143 N 5.82 0.04 0.11 1.71 -2.24 -0.19 -0.83 114.28 118.69 1xsi n THR 143 Ca 0.04 0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 1xsi n THR 143 Cb 0.46 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.00 0.60 0.00 3.42 2.35 -1.90 -3.39 115.58 116.66 1xsi h ASN 144 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 1xsi h ASN 144 Cb 0.06 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1xsi h ASN 144 CO 0.00 1.46 0.00 -0.46 -1.65 0.00 0.00 177.43 176.78 1xsi n ASN 145 N -3.64 1.09 -0.55 5.81 0.23 -1.18 -5.01 115.26 112.01 1xsi n ASN 145 Ca -0.11 -1.42 -0.07 0.00 -0.53 0.00 0.00 54.58 52.45 1xsi n ASN 145 Cb 1.01 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.69 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 -0.21 -0.49 -4.17 -3.83 1.13 -0.01 -5.01 117.38 104.79 1xsi n GLN 146 Ca 0.00 0.72 -0.26 0.00 -1.94 0.00 0.00 57.00 55.52 1xsi n GLN 146 Cb 0.24 -4.52 -0.07 0.00 0.11 0.00 0.00 30.24 26.01 1xsi n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsi s ARG 147 N -2.70 2.59 0.02 -1.09 0.52 -1.02 -4.94 118.95 112.33 1xsi s ARG 147 Ca 0.00 -1.05 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1xsi s ARG 147 Cb 0.00 -2.45 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1xsi s ARG 147 CO 0.00 0.46 -0.18 -0.80 0.02 0.00 0.00 175.30 174.80 1xsi s ASN 148 N -3.09 2.09 0.08 0.23 0.01 -1.26 -0.22 114.94 112.78 1xsi s ASN 148 Ca 0.29 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1xsi s ASN 148 Cb -0.09 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.34 1xsi s ASN 148 CO 0.21 0.15 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.57 1xsi s TYR 149 N -0.64 0.80 0.03 2.20 2.02 -0.00 -2.93 117.35 118.83 1xsi s TYR 149 Ca 0.06 -0.81 0.06 0.00 -0.37 0.00 0.00 57.07 56.01 1xsi s TYR 149 Cb -0.08 -0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1xsi s TYR 149 CO 0.01 -0.15 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.05 1xsi s MET 150 N -3.21 2.20 0.10 -0.62 -1.94 -0.23 -0.54 119.30 115.06 1xsi s MET 150 Ca 0.05 -0.91 -0.02 0.00 -1.71 0.00 0.00 55.69 53.10 1xsi s MET 150 Cb 0.01 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 1xsi s MET 150 CO -0.04 0.56 0.04 -0.59 -0.01 0.00 0.00 175.02 174.98 1xsi s PHE 151 N -0.95 0.66 0.00 -0.03 -0.71 -0.42 -1.81 117.98 114.73 1xsi s PHE 151 Ca 0.15 -1.10 -0.09 0.00 -1.04 0.00 0.00 56.93 54.86 1xsi s PHE 151 Cb -0.11 -0.39 0.00 0.00 -1.21 0.00 0.00 43.02 41.31 1xsi s PHE 151 CO 0.06 -0.48 0.17 -2.00 -1.34 0.00 0.00 175.22 171.63 1xsi s GLU 152 N -3.98 0.53 -0.11 1.99 2.56 -0.49 -2.32 118.70 116.88 1xsi s GLU 152 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 54.97 54.71 1xsi s GLU 152 Cb 0.07 0.22 0.03 0.00 2.00 0.00 0.00 34.13 36.46 1xsi s GLU 152 CO -0.04 -0.13 -0.02 1.03 -0.56 0.00 0.00 175.26 175.54 1xsi s ARG 153 N -1.51 0.94 -0.17 4.30 0.52 -0.39 -0.42 118.95 122.22 1xsi s ARG 153 Ca -0.14 -0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1xsi s ARG 153 Cb -0.07 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 1xsi s ARG 153 CO 0.01 -0.36 0.06 -0.51 0.02 0.00 0.00 175.30 174.52 1xsi s LEU 154 N 1.85 3.82 0.81 2.53 1.43 -0.53 -4.43 118.68 124.17 1xsi s LEU 154 Ca 0.04 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 1xsi s LEU 154 Cb -0.13 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.20 1xsi s LEU 154 CO -0.07 0.20 1.14 0.47 0.23 0.00 0.00 176.35 178.32 1xsi n ASP 155 N 3.39 0.80 -4.25 2.29 8.00 -0.10 -0.48 116.55 126.20 1xsi n ASP 155 Ca -0.17 0.57 -0.30 0.00 0.71 0.00 0.00 54.79 55.61 1xsi n ASP 155 Cb 0.52 -1.48 -0.16 0.00 -0.02 0.00 0.00 41.12 39.98 1xsi n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xsi s LEU 156 N -5.27 2.04 0.00 0.64 1.43 -0.49 -4.63 118.68 112.39 1xsi s LEU 156 Ca 0.72 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1xsi s LEU 156 Cb -0.29 -1.26 0.14 0.00 0.03 0.00 0.00 46.19 44.81 1xsi s LEU 156 CO 0.52 0.25 0.93 0.61 0.23 0.00 0.00 176.35 178.89 1xsi n GLY 157 N 2.79 0.08 3.69 -3.19 0.00 -1.26 -4.80 105.19 102.49 1xsi n GLY 157 Ca -0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1xsi n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsi s VAL 158 N -2.84 3.39 0.00 1.61 1.01 -1.26 -2.15 120.40 120.16 1xsi s VAL 158 Ca 0.59 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1xsi s VAL 158 Cb -0.03 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1xsi s VAL 158 CO 0.40 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1xsi n GLY 159 N 3.85 0.48 3.64 4.51 0.00 -1.26 -5.01 105.19 111.41 1xsi n GLY 159 Ca 0.15 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.20 4.11 0.24 1.61 2.12 -0.92 -4.95 118.70 119.71 1xsi s GLU 160 Ca 0.00 0.11 0.09 0.00 0.36 0.00 0.00 54.97 55.54 1xsi s GLU 160 Cb 0.00 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1xsi s GLU 160 CO 0.00 -0.13 -0.03 0.95 -0.54 0.00 0.00 175.26 175.51 1xsi s THR 161 N 1.60 3.38 -0.01 -1.70 -4.23 -1.26 -4.83 115.64 108.58 1xsi s THR 161 Ca 0.17 -1.85 0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1xsi s THR 161 Cb -0.15 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1xsi s THR 161 CO 0.08 -0.31 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.96 1xsi s VAL 162 N -2.17 1.66 0.12 2.29 1.01 -1.26 -1.88 120.40 120.16 1xsi s VAL 162 Ca 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1xsi s VAL 162 Cb -0.07 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1xsi s VAL 162 CO 0.19 0.45 0.01 -0.31 0.00 0.00 0.00 175.10 175.44 1xsi s TYR 163 N -0.51 0.87 0.00 5.22 2.02 -0.26 -0.11 117.35 124.58 1xsi s TYR 163 Ca 0.08 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.68 1xsi s TYR 163 Cb -0.08 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1xsi s TYR 163 CO -0.01 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.02 1xsi n GLY 164 N -0.08 0.97 2.35 0.71 0.00 -1.26 -2.03 105.19 105.85 1xsi n GLY 164 Ca -0.09 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.26 0.00 0.99 4.77 -0.06 -4.83 117.00 116.62 1xsi n LEU 165 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1xsi n LEU 165 Cb 0.00 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.01 1xsi n LEU 165 CO 0.00 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 1xsi n GLY 166 N -1.18 -1.40 3.57 -0.72 0.00 -1.24 -3.31 105.19 100.92 1xsi n GLY 166 Ca -0.15 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.46 3.41 0.09 1.61 2.12 -0.75 -3.80 118.70 120.93 1xsi s GLU 167 Ca 0.00 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.46 1xsi s GLU 167 Cb 0.00 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 1xsi s GLU 167 CO 0.00 -1.82 -0.14 1.03 -0.54 0.00 0.00 175.26 173.79 1xsi s ARG 168 N 5.16 0.89 0.00 4.30 0.52 -1.26 -4.55 118.95 124.01 1xsi s ARG 168 Ca 0.40 -1.07 0.10 0.00 -0.52 0.00 0.00 55.73 54.65 1xsi s ARG 168 Cb -0.08 -0.83 0.19 0.00 0.52 0.00 0.00 34.95 34.75 1xsi s ARG 168 CO 0.22 0.17 1.05 1.19 0.02 0.00 0.00 175.30 177.95 1xsi n PHE 169 N 0.98 0.23 -1.48 -0.53 3.72 -1.26 -3.04 117.46 116.08 1xsi n PHE 169 Ca -0.19 -0.26 -0.26 0.00 -0.05 0.00 0.00 57.45 56.69 1xsi n PHE 169 Cb 0.55 -0.01 0.20 0.00 -0.94 0.00 0.00 39.48 39.28 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 0.53 0.00 -1.54 4.37 -2.24 -1.26 -4.85 114.28 109.30 1xsi n THR 170 Ca 0.09 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 1xsi n THR 170 Cb 0.35 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 -4.13 -0.68 -0.21 6.98 0.00 -1.26 -4.86 120.51 116.34 1xsi n ALA 171 Ca -0.19 0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1xsi n ALA 171 Cb 0.52 -1.93 0.03 0.00 0.00 0.00 0.00 19.45 18.07 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 1.27 0.82 -9.19 0.00 5.85 -1.93 -3.39 115.31 108.75 1xsi h LEU 172 Ca -0.41 -0.17 -0.58 0.00 0.84 0.00 0.00 57.88 57.56 1xsi h LEU 172 Cb 1.37 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1xsi h LEU 172 CO 0.55 0.77 0.15 -0.69 -0.34 0.00 0.00 178.44 178.88 1xsi s VAL 173 N -5.56 5.01 -0.11 1.05 1.01 -1.26 -4.62 120.40 115.91 1xsi s VAL 173 Ca -0.13 1.32 0.30 0.00 0.00 0.00 0.00 61.98 63.47 1xsi s VAL 173 Cb 0.13 -4.00 0.37 0.00 0.00 0.00 0.00 36.38 32.88 1xsi s VAL 173 CO 0.79 0.14 1.84 0.03 0.00 0.00 0.00 175.10 177.91 1xsi h ARG 174 N 7.24 0.00 -6.38 2.72 -0.00 -0.72 -3.46 114.38 113.78 1xsi h ARG 174 Ca -0.34 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.54 1xsi h ARG 174 Cb 1.15 0.00 0.04 0.00 0.00 0.00 0.00 29.97 31.16 1xsi h ARG 174 CO 0.78 0.00 0.93 0.09 0.00 0.00 0.00 179.97 181.77 1xsi n ASN 175 N -3.08 3.20 0.00 7.04 4.13 -1.26 -0.93 115.26 124.37 1xsi n ASN 175 Ca 0.02 1.03 0.00 0.00 1.68 0.00 0.00 54.58 57.31 1xsi n ASN 175 Cb 0.39 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.24 1xsi n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsi n GLY 176 N 3.86 1.05 3.71 7.41 0.00 0.11 -4.99 105.19 116.34 1xsi n GLY 176 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.77 2.63 -0.01 1.61 -2.07 -0.10 -4.64 119.66 116.31 1xsi s GLN 177 Ca 0.00 -0.80 -0.18 0.00 -1.82 0.00 0.00 55.36 52.56 1xsi s GLN 177 Cb 0.00 -2.59 -0.05 0.00 -1.09 0.00 0.00 33.01 29.28 1xsi s GLN 177 CO 0.00 0.55 0.52 0.99 -1.32 0.00 0.00 175.29 176.03 1xsi s THR 178 N -1.33 4.96 -0.04 3.63 2.01 -1.26 -1.40 115.64 122.22 1xsi s THR 178 Ca 0.27 1.08 -0.00 0.00 0.31 0.00 0.00 61.69 63.35 1xsi s THR 178 Cb -0.12 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.57 1xsi s THR 178 CO 0.19 0.46 0.00 0.54 -0.69 0.00 0.00 174.62 175.12 1xsi s VAL 179 N -0.40 0.24 -0.25 3.82 0.11 0.26 -5.00 120.40 119.17 1xsi s VAL 179 Ca 0.28 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.35 1xsi s VAL 179 Cb -0.17 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1xsi s VAL 179 CO 0.15 0.18 0.08 -1.61 -3.33 0.00 0.00 175.10 170.57 1xsi s GLU 180 N 1.31 3.69 -1.04 1.54 0.41 -1.26 0.10 118.70 123.45 1xsi s GLU 180 Ca -0.06 -0.46 -0.22 0.00 -0.41 0.00 0.00 54.97 53.83 1xsi s GLU 180 Cb -0.13 -3.35 0.07 0.00 -1.78 0.00 0.00 34.13 28.94 1xsi s GLU 180 CO -0.02 -0.17 1.44 0.95 -0.49 0.00 0.00 175.26 176.97 1xsi s THR 181 N 1.57 4.08 -0.22 3.63 -4.23 -0.66 -4.88 115.64 114.93 1xsi s THR 181 Ca 0.06 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1xsi s THR 181 Cb -0.15 -5.03 0.12 0.00 1.34 0.00 0.00 72.50 68.77 1xsi s THR 181 CO 0.04 -1.88 0.33 0.86 -0.54 0.00 0.00 174.62 173.42 1xsi s TRP 182 N 4.50 -0.64 0.32 3.99 -0.11 -1.26 -3.98 118.94 121.76 1xsi s TRP 182 Ca 0.45 0.69 -0.29 0.00 1.22 0.00 0.00 56.10 58.17 1xsi s TRP 182 Cb -0.00 -0.08 -0.11 0.00 -1.50 0.00 0.00 33.47 31.77 1xsi s TRP 182 CO -0.08 -0.66 1.56 0.09 -4.62 0.00 0.00 176.95 173.24 1xsi n ASN 183 N 5.35 3.81 -3.87 5.86 3.02 -1.26 -4.69 115.26 123.48 1xsi n ASN 183 Ca -0.05 1.17 -0.10 0.00 -0.03 0.00 0.00 54.58 55.58 1xsi n ASN 183 Cb 0.50 -1.60 -0.08 0.00 -0.61 0.00 0.00 39.78 37.99 1xsi n ASN 183 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xsi s ARG 184 N -1.01 0.69 -0.84 3.52 0.52 0.11 -4.63 118.95 117.30 1xsi s ARG 184 Ca 0.61 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.97 1xsi s ARG 184 Cb -0.49 0.28 0.21 0.00 0.52 0.00 0.00 34.95 35.46 1xsi s ARG 184 CO 0.53 -0.19 0.82 0.34 0.02 0.00 0.00 175.30 176.82 1xsi s ASP 185 N -2.19 6.74 -0.00 0.23 -1.08 -1.26 -3.27 116.67 115.83 1xsi s ASP 185 Ca -0.04 -2.59 0.00 0.00 -0.52 0.00 0.00 52.55 49.41 1xsi s ASP 185 Cb -0.00 -2.24 0.01 0.00 -1.46 0.00 0.00 42.92 39.23 1xsi s ASP 185 CO -0.05 -0.65 0.76 0.61 0.52 0.00 0.00 175.17 176.36 1xsi n GLY 186 N 4.20 0.01 7.00 2.66 0.00 -1.26 -5.11 105.19 112.69 1xsi n GLY 186 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.26 -1.44 0.85 -0.02 0.00 -1.26 -4.31 105.19 98.75 1xsi n GLY 187 Ca 0.00 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.25 1.51 -0.06 2.61 -2.24 -1.25 -4.69 114.28 109.92 1xsi n THR 188 Ca 0.00 -1.31 0.02 0.00 -2.27 0.00 0.00 64.05 60.49 1xsi n THR 188 Cb 0.00 0.21 0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1xsi n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsi n SER 189 N 0.28 2.31 -3.63 3.42 7.64 -1.26 -4.77 113.62 117.61 1xsi n SER 189 Ca 0.17 -1.98 -0.23 0.00 1.01 0.00 0.00 58.87 57.84 1xsi n SER 189 Cb 0.64 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.12 0.00 1.39 0.44 -2.24 -1.26 -5.03 114.28 107.46 1xsi n THR 190 Ca 0.04 -2.12 0.13 0.00 -2.27 0.00 0.00 64.05 59.83 1xsi n THR 190 Cb 0.31 0.75 0.70 0.00 -2.10 0.00 0.00 70.33 69.99 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 -0.83 0.57 -2.01 -0.78 0.00 -1.26 -4.41 120.64 111.92 1xsi n GLU 191 Ca -0.05 0.03 -0.29 0.00 0.00 0.00 0.00 57.16 56.84 1xsi n GLU 191 Cb 0.55 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.53 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 -2.30 2.92 -0.01 3.44 -0.21 -1.26 -4.92 119.66 117.32 1xsi s GLN 192 Ca 0.31 0.36 -0.06 0.00 0.02 0.00 0.00 55.36 55.99 1xsi s GLN 192 Cb 0.17 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1xsi s GLN 192 CO 0.34 -0.92 0.13 0.00 -2.12 0.00 0.00 175.29 172.72 1xsi s ALA 193 N -3.26 -0.32 0.01 6.09 0.00 -1.26 -4.69 121.76 118.33 1xsi s ALA 193 Ca 0.57 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.65 1xsi s ALA 193 Cb -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.91 1xsi s ALA 193 CO 0.50 -0.16 1.33 1.88 0.00 0.00 0.00 175.76 179.30 1xsi h TYR 194 N 4.80 0.00 -3.34 0.00 0.05 -1.80 0.30 116.97 116.99 1xsi h TYR 194 Ca -0.29 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.87 1xsi h TYR 194 Cb 1.20 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.54 1xsi h TYR 194 CO 0.54 0.80 -0.73 0.15 -1.05 0.00 0.00 178.16 177.87 1xsi s LYS 195 N -2.81 1.18 -0.13 4.88 1.02 -1.26 -3.65 119.74 118.97 1xsi s LYS 195 Ca 0.02 -1.64 -0.05 0.00 0.02 0.00 0.00 55.97 54.32 1xsi s LYS 195 Cb 0.09 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1xsi s LYS 195 CO 0.79 -1.01 0.05 -0.80 -0.92 0.00 0.00 175.35 173.47 1xsi s ASN 196 N 1.00 5.64 -0.08 2.83 0.01 -1.25 -1.80 114.94 121.29 1xsi s ASN 196 Ca 0.12 0.20 -0.03 0.00 -0.71 0.00 0.00 52.86 52.44 1xsi s ASN 196 Cb -0.20 -1.79 0.04 0.00 0.41 0.00 0.00 41.25 39.71 1xsi s ASN 196 CO -0.13 0.31 0.06 -0.63 -1.51 0.00 0.00 177.10 175.20 1xsi s ILE 197 N -0.48 0.02 -0.80 0.60 -1.09 -1.21 -4.39 121.20 113.84 1xsi s ILE 197 Ca 0.10 0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.62 1xsi s ILE 197 Cb -0.12 -0.37 -0.18 0.00 -1.58 0.00 0.00 42.46 40.22 1xsi s ILE 197 CO 0.02 0.06 3.27 -0.81 -1.23 0.00 0.00 174.94 176.25 1xsi n PRO 198 N 5.25 2.82 -4.49 2.79 -0.04 -1.26 -3.59 135.00 136.48 1xsi n PRO 198 Ca -0.05 -1.58 -0.23 0.00 -0.04 0.00 0.00 63.50 61.60 1xsi n PRO 198 Cb 0.50 -2.39 -0.16 0.00 -0.04 0.00 0.00 33.50 31.40 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 1.61 1.21 0.19 0.54 5.36 -1.26 -0.58 117.98 125.05 1xsi s PHE 199 Ca 0.68 -0.37 0.07 0.00 -0.96 0.00 0.00 56.93 56.35 1xsi s PHE 199 Cb 0.25 -0.88 -0.05 0.00 -0.34 0.00 0.00 43.02 42.00 1xsi s PHE 199 CO -0.03 -0.18 -0.14 1.52 -1.46 0.00 0.00 175.22 174.93 1xsi s TYR 200 N 0.43 1.61 0.21 10.12 -0.85 -0.47 -0.88 117.35 127.51 1xsi s TYR 200 Ca -0.08 -0.61 0.03 0.00 -0.52 0.00 0.00 57.07 55.89 1xsi s TYR 200 Cb -0.12 -0.76 -0.05 0.00 0.38 0.00 0.00 41.96 41.41 1xsi s TYR 200 CO 0.02 0.29 -0.02 0.00 -1.52 0.00 0.00 175.55 174.32 1xsi s MET 201 N -3.61 1.25 0.37 -3.49 0.23 -0.86 -0.24 119.30 112.94 1xsi s MET 201 Ca 0.21 -1.61 0.04 0.00 -1.03 0.00 0.00 55.69 53.30 1xsi s MET 201 Cb -0.00 -0.55 -0.06 0.00 -1.53 0.00 0.00 34.83 32.69 1xsi s MET 201 CO 0.05 -0.07 0.05 0.95 -2.03 0.00 0.00 175.02 173.97 1xsi s THR 202 N -3.45 1.27 -1.55 3.16 -4.23 -1.01 -1.10 115.64 108.73 1xsi s THR 202 Ca 0.26 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1xsi s THR 202 Cb 0.05 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1xsi s THR 202 CO 0.06 0.00 0.81 -0.46 -0.54 0.00 0.00 174.62 174.50 1xsi n ASN 203 N -0.86 0.59 -1.01 3.99 6.94 -0.79 -2.14 115.26 121.98 1xsi n ASN 203 Ca -0.04 -2.01 0.12 0.00 -0.02 0.00 0.00 54.58 52.62 1xsi n ASN 203 Cb 0.66 -0.23 0.13 0.00 -2.36 0.00 0.00 39.78 37.98 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 -0.23 2.38 -2.61 -3.83 0.63 -1.26 -4.97 116.66 106.77 1xsi n ARG 204 Ca 0.01 -2.02 -0.06 0.00 -0.92 0.00 0.00 57.85 54.86 1xsi n ARG 204 Cb 0.14 -1.47 0.02 0.00 0.45 0.00 0.00 32.46 31.60 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 1.39 0.36 3.21 5.14 0.00 -0.91 -4.93 105.19 109.46 1xsi n GLY 205 Ca 0.15 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.10 0.72 0.27 1.61 -0.85 -1.26 -2.22 117.35 112.52 1xsi s TYR 206 Ca 0.08 -1.09 0.02 0.00 -0.52 0.00 0.00 57.07 55.56 1xsi s TYR 206 Cb -0.04 -0.35 -0.05 0.00 0.38 0.00 0.00 41.96 41.90 1xsi s TYR 206 CO 0.21 -0.59 0.08 0.20 -1.52 0.00 0.00 175.55 173.94 1xsi s GLY 207 N -3.03 1.79 -0.02 5.49 0.00 0.53 -2.40 107.32 109.68 1xsi s GLY 207 Ca 0.22 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1xsi s GLY 207 CO 0.01 -1.64 0.02 0.54 0.00 0.00 0.00 173.10 172.03 1xsi s VAL 208 N -3.66 0.03 -0.22 1.40 0.11 0.66 -0.70 120.40 118.03 1xsi s VAL 208 Ca 0.37 0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 59.52 1xsi s VAL 208 Cb 0.08 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 1xsi s VAL 208 CO 0.14 0.11 0.06 -0.22 -3.33 0.00 0.00 175.10 171.86 1xsi s LEU 209 N 1.05 3.52 -0.37 2.54 2.96 -0.15 -1.37 118.68 126.87 1xsi s LEU 209 Ca -0.09 -0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.49 1xsi s LEU 209 Cb -0.13 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.64 1xsi s LEU 209 CO -0.02 0.04 0.62 -0.69 -1.32 0.00 0.00 176.35 174.97 1xsi s VAL 210 N 1.16 4.90 -1.52 1.68 1.01 0.25 -0.75 120.40 127.13 1xsi s VAL 210 Ca 0.04 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1xsi s VAL 210 Cb -0.14 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1xsi s VAL 210 CO 0.03 -0.35 2.67 -3.20 0.00 0.00 0.00 175.10 174.25 1xsi n ASN 211 N 6.03 7.64 -3.58 3.32 5.15 0.58 -4.76 115.26 129.64 1xsi n ASN 211 Ca -0.02 -2.76 -0.18 0.00 -0.60 0.00 0.00 54.58 51.01 1xsi n ASN 211 Cb 0.48 -1.53 -0.14 0.00 -0.53 0.00 0.00 39.78 38.06 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 1.53 -0.21 -0.26 1.20 3.76 -1.26 -4.77 115.29 115.28 1xsi s HIS 212 Ca 0.61 0.35 0.28 0.00 -0.15 0.00 0.00 55.06 56.15 1xsi s HIS 212 Cb 0.17 -0.34 0.92 0.00 1.11 0.00 0.00 32.58 34.44 1xsi s HIS 212 CO -0.07 -0.47 1.80 -1.35 -0.85 0.00 0.00 174.74 173.81 1xsi h PRO 213 N 8.34 0.00 0.00 8.40 0.11 -1.89 -3.43 132.00 143.53 1xsi h PRO 213 Ca -0.15 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.55 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 0.00 0.16 0.00 -0.21 0.00 0.00 178.00 178.17 1xsi n GLN 214 N -2.86 -2.92 -1.72 1.05 0.00 -1.26 -4.44 117.38 105.23 1xsi n GLN 214 Ca 0.03 -1.80 -0.42 0.00 0.00 0.00 0.00 57.00 54.80 1xsi n GLN 214 Cb 0.38 -1.62 -0.03 0.00 0.00 0.00 0.00 30.24 28.97 1xsi n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsi s VAL 216 N 4.12 5.34 -0.36 0.00 1.01 -1.26 -4.64 120.40 124.62 1xsi s VAL 216 Ca 0.85 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 1xsi s VAL 216 Cb -0.42 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1xsi s VAL 216 CO 0.39 0.60 0.12 -0.55 0.00 0.00 0.00 175.10 175.66 1xsi s SER 217 N -0.84 5.24 -0.22 3.32 0.15 -0.47 -1.65 113.70 119.22 1xsi s SER 217 Ca 0.14 -1.44 -0.10 0.00 0.70 0.00 0.00 55.95 55.24 1xsi s SER 217 Cb -0.12 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 1xsi s SER 217 CO 0.03 -0.39 0.15 -0.36 1.20 0.00 0.00 173.24 173.86 1xsi s PHE 218 N 1.30 3.37 -0.51 3.44 0.40 0.11 -1.85 117.98 124.24 1xsi s PHE 218 Ca 0.00 0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 56.50 1xsi s PHE 218 Cb -0.21 -2.21 0.13 0.00 0.51 0.00 0.00 43.02 41.24 1xsi s PHE 218 CO -0.00 0.19 0.42 -1.21 0.70 0.00 0.00 175.22 175.32 1xsi s GLU 219 N 0.68 2.71 -0.74 0.44 0.41 0.71 -0.58 118.70 122.33 1xsi s GLU 219 Ca 0.08 -1.78 -0.17 0.00 -0.41 0.00 0.00 54.97 52.68 1xsi s GLU 219 Cb -0.12 -4.08 0.14 0.00 -1.78 0.00 0.00 34.13 28.29 1xsi s GLU 219 CO 0.01 -1.25 0.82 0.08 -0.49 0.00 0.00 175.26 174.43 1xsi s VAL 220 N 1.39 5.04 -2.01 2.63 1.01 -0.49 -0.94 120.40 127.03 1xsi s VAL 220 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1xsi s VAL 220 Cb -0.27 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1xsi s VAL 220 CO 0.00 -1.19 0.00 0.61 0.00 0.00 0.00 175.10 174.53 1xsi n GLY 221 N 4.95 1.39 0.15 4.51 0.00 -0.31 0.09 105.19 115.97 1xsi n GLY 221 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.39 0.97 0.05 1.61 3.41 -1.26 -3.96 113.62 113.06 1xsi n SER 222 Ca -0.20 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1xsi n SER 222 Cb 0.65 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.35 0.00 -3.75 4.33 2.13 -1.26 -4.96 120.64 116.77 1xsi n GLU 223 Ca 0.03 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.48 1xsi n GLU 223 Cb 0.14 -0.30 -0.11 0.00 0.27 0.00 0.00 31.44 31.44 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 -1.72 3.87 0.39 5.31 -0.14 -1.26 -4.98 119.74 121.21 1xsi s LYS 224 Ca 0.00 -0.37 0.21 0.00 -1.36 0.00 0.00 55.97 54.45 1xsi s LYS 224 Cb 0.00 -3.43 0.50 0.00 -1.68 0.00 0.00 37.83 33.22 1xsi s LYS 224 CO 0.00 -0.05 1.65 -0.39 -0.76 0.00 0.00 175.35 175.80 1xsi h VAL 225 N 5.27 0.47 -0.65 3.17 -1.51 -1.94 -2.34 116.25 118.73 1xsi h VAL 225 Ca -0.37 -1.43 -0.38 0.00 -1.23 0.00 0.00 66.70 63.29 1xsi h VAL 225 Cb 1.18 2.04 -0.22 0.00 -2.13 0.00 0.00 31.29 32.16 1xsi h VAL 225 CO 0.61 0.24 0.15 -1.54 -1.23 0.00 0.00 177.57 175.80 1xsi n SER 226 N -3.23 3.85 -3.96 4.19 3.41 -1.26 -4.45 113.62 112.17 1xsi n SER 226 Ca 0.02 -3.75 -0.09 0.00 -0.26 0.00 0.00 58.87 54.79 1xsi n SER 226 Cb 0.55 -0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 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 -3.40 0.49 -0.42 4.33 1.02 -0.88 -1.40 119.74 119.48 1xsi s LYS 227 Ca 0.51 -0.71 -0.15 0.00 0.02 0.00 0.00 55.97 55.64 1xsi s LYS 227 Cb 0.44 0.19 0.03 0.00 -0.52 0.00 0.00 37.83 37.97 1xsi s LYS 227 CO 0.03 -0.11 0.32 0.08 -0.92 0.00 0.00 175.35 174.75 1xsi s VAL 228 N -2.22 5.22 -0.01 3.17 1.01 0.37 -1.16 120.40 126.77 1xsi s VAL 228 Ca -0.08 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 1xsi s VAL 228 Cb -0.04 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1xsi s VAL 228 CO -0.03 -0.38 0.47 -1.58 0.00 0.00 0.00 175.10 173.58 1xsi s GLN 229 N 1.66 4.10 0.01 2.72 0.74 -0.12 -1.45 119.66 127.34 1xsi s GLN 229 Ca 0.05 0.51 0.02 0.00 0.05 0.00 0.00 55.36 55.98 1xsi s GLN 229 Cb -0.20 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 1xsi s GLN 229 CO 0.09 0.54 -0.06 -0.59 -0.55 0.00 0.00 175.29 174.72 1xsi s PHE 230 N -0.64 0.54 0.04 1.67 -0.12 0.44 -0.21 117.98 119.70 1xsi s PHE 230 Ca 0.26 -0.24 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1xsi s PHE 230 Cb -0.17 -0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 1xsi s PHE 230 CO 0.14 -0.04 -0.05 -1.54 -0.05 0.00 0.00 175.22 173.68 1xsi s SER 231 N -0.66 0.59 0.00 1.98 1.04 -0.77 -1.40 113.70 114.47 1xsi s SER 231 Ca -0.03 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 1xsi s SER 231 Cb -0.05 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1xsi s SER 231 CO 0.00 -0.30 0.04 0.54 0.98 0.00 0.00 173.24 174.50 1xsi s VAL 232 N -1.78 0.07 -0.67 5.02 0.11 -0.75 -1.37 120.40 121.03 1xsi s VAL 232 Ca -0.10 -0.61 -0.27 0.00 -2.93 0.00 0.00 61.98 58.08 1xsi s VAL 232 Cb -0.07 -0.26 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1xsi s VAL 232 CO -0.01 -0.34 1.19 -0.70 -3.33 0.00 0.00 175.10 171.91 1xsi s GLU 233 N -1.04 3.29 -0.11 1.54 2.12 -1.26 -1.06 118.70 122.16 1xsi s GLU 233 Ca -0.11 -0.16 -0.31 0.00 0.36 0.00 0.00 54.97 54.74 1xsi s GLU 233 Cb -0.07 -4.13 0.12 0.00 0.26 0.00 0.00 34.13 30.32 1xsi s GLU 233 CO -0.00 -1.92 1.04 0.45 -0.54 0.00 0.00 175.26 174.28 1xsi s SER 234 N 3.43 -0.28 0.00 -1.70 0.15 -1.15 -4.97 113.70 109.18 1xsi s SER 234 Ca 0.36 0.10 0.28 0.00 0.70 0.00 0.00 55.95 57.38 1xsi s SER 234 Cb -0.09 0.27 1.02 0.00 -1.71 0.00 0.00 66.02 65.51 1xsi s SER 234 CO 0.18 -0.40 1.74 -0.62 1.20 0.00 0.00 173.24 175.33 1xsi n GLU 235 N 0.08 0.58 -4.06 5.44 -0.58 -1.26 -3.39 120.64 117.46 1xsi n GLU 235 Ca -0.06 -0.25 -0.08 0.00 -0.42 0.00 0.00 57.16 56.35 1xsi n GLU 235 Cb 0.60 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.88 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 -2.59 0.53 -0.04 -0.32 -0.85 -1.26 -0.08 117.35 112.74 1xsi s TYR 236 Ca 0.24 -1.02 0.02 0.00 -0.52 0.00 0.00 57.07 55.80 1xsi s TYR 236 Cb 0.19 -0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.20 1xsi s TYR 236 CO 0.52 -0.45 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.85 1xsi s LEU 237 N -2.94 1.63 -0.07 -3.49 2.96 0.45 -4.80 118.68 112.42 1xsi s LEU 237 Ca 0.11 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1xsi s LEU 237 Cb 0.07 -0.55 0.02 0.00 0.50 0.00 0.00 46.19 46.23 1xsi s LEU 237 CO -0.07 0.02 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.22 1xsi s GLU 238 N 0.48 1.16 0.04 1.98 2.12 -1.26 -0.14 118.70 123.08 1xsi s GLU 238 Ca -0.08 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 1xsi s GLU 238 Cb -0.11 -1.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.10 1xsi s GLU 238 CO 0.01 -0.12 -0.03 1.52 -0.54 0.00 0.00 175.26 176.10 1xsi s TYR 239 N 1.14 0.47 -0.12 5.30 1.13 -0.36 -0.31 117.35 124.59 1xsi s TYR 239 Ca -0.07 -0.92 0.03 0.00 -1.41 0.00 0.00 57.07 54.70 1xsi s TYR 239 Cb -0.14 -0.34 0.00 0.00 -1.10 0.00 0.00 41.96 40.38 1xsi s TYR 239 CO -0.01 -0.32 -0.21 -0.06 -2.51 0.00 0.00 175.55 172.44 1xsi s PHE 240 N -3.25 2.65 -0.04 -3.49 0.08 0.07 -0.43 117.98 113.57 1xsi s PHE 240 Ca 0.01 -1.12 -0.19 0.00 0.12 0.00 0.00 56.93 55.76 1xsi s PHE 240 Cb 0.03 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 1xsi s PHE 240 CO -0.07 -0.48 0.52 0.08 -0.10 0.00 0.00 175.22 175.17 1xsi s VAL 241 N 0.57 5.01 -0.24 -0.44 1.01 -0.31 -0.98 120.40 125.02 1xsi s VAL 241 Ca -0.12 1.07 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1xsi s VAL 241 Cb -0.17 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.42 1xsi s VAL 241 CO 0.04 0.42 -0.08 -0.63 0.00 0.00 0.00 175.10 174.85 1xsi s ILE 242 N -0.12 1.80 0.77 2.22 1.01 0.13 -0.64 121.20 126.37 1xsi s ILE 242 Ca 0.28 -1.38 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 1xsi s ILE 242 Cb -0.17 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.37 1xsi s ILE 242 CO 0.14 -0.05 1.08 -0.62 0.00 0.00 0.00 174.94 175.50 1xsi s ASP 243 N 1.27 4.58 0.00 3.58 2.15 -0.59 -0.35 116.67 127.32 1xsi s ASP 243 Ca -0.07 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.63 1xsi s ASP 243 Cb -0.19 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1xsi s ASP 243 CO -0.06 -1.97 0.00 0.61 -0.17 0.00 0.00 175.17 173.58 1xsi n GLY 244 N -1.42 0.23 0.12 2.66 0.00 -0.94 -3.94 105.19 101.89 1xsi n GLY 244 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 1.17 -4.20 1.61 -0.04 -1.26 -4.64 135.00 127.63 1xsi n PRO 245 Ca 0.00 -0.25 -0.25 0.00 -0.04 0.00 0.00 63.50 62.96 1xsi n PRO 245 Cb 0.00 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.97 3.84 0.32 0.52 -4.23 -1.26 -4.24 115.64 108.62 1xsi s THR 246 Ca 0.37 -1.49 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1xsi s THR 246 Cb 0.18 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.35 1xsi s THR 246 CO 0.29 -0.20 1.76 -0.65 -0.54 0.00 0.00 174.62 175.28 1xsi h PRO 247 N 2.33 0.64 0.00 3.99 0.11 -1.87 -0.04 132.00 137.15 1xsi h PRO 247 Ca -0.47 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1xsi h PRO 247 Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1xsi h PRO 247 CO 0.59 0.42 -0.53 0.87 -0.21 0.00 0.00 178.00 179.15 1xsi h LYS 248 N 0.66 0.00 -0.02 1.05 1.57 -1.96 -1.03 116.57 116.84 1xsi h LYS 248 Ca 0.60 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.19 1xsi h LYS 248 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1xsi h LYS 248 CO -0.40 0.53 -0.83 0.00 -0.57 0.00 0.00 179.45 178.18 1xsi h ALA 249 N 1.47 0.54 -0.06 3.86 0.00 -1.56 -0.75 119.26 122.76 1xsi h ALA 249 Ca -0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1xsi h ALA 249 Cb 0.96 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xsi h ALA 249 CO 0.07 0.84 0.02 0.28 0.00 0.00 0.00 179.25 180.47 1xsi h VAL 250 N 0.17 1.14 -0.07 0.00 2.07 -0.79 -1.91 116.25 116.86 1xsi h VAL 250 Ca -0.04 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1xsi h VAL 250 Cb 1.44 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1xsi h VAL 250 CO 0.13 0.11 -0.31 -0.07 0.02 0.00 0.00 177.57 177.46 1xsi h LEU 251 N -0.06 0.12 -0.01 2.57 3.38 -1.13 0.19 115.31 120.36 1xsi h LEU 251 Ca 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xsi h LEU 251 Cb 0.16 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xsi h LEU 251 CO -0.00 0.43 0.00 -0.78 0.09 0.00 0.00 178.44 178.18 1xsi h ASP 252 N 0.11 0.02 -0.58 -0.43 3.58 -0.86 0.22 116.42 118.47 1xsi h ASP 252 Ca 0.01 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.23 1xsi h ASP 252 Cb 0.61 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 1xsi h ASP 252 CO 0.04 0.21 0.20 0.03 -2.88 0.00 0.00 179.24 176.84 1xsi h ARG 253 N -0.18 0.89 -0.76 0.28 3.08 -1.19 0.12 114.38 116.63 1xsi h ARG 253 Ca 0.00 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1xsi h ARG 253 Cb 0.20 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1xsi h ARG 253 CO -0.00 0.79 0.50 -0.92 -1.07 0.00 0.00 179.97 179.27 1xsi h TYR 254 N 0.81 0.94 0.00 3.04 3.20 -0.42 0.11 116.97 124.65 1xsi h TYR 254 Ca 0.19 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.90 1xsi h TYR 254 Cb 0.26 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1xsi h TYR 254 CO 0.02 0.58 -0.88 1.79 -1.64 0.00 0.00 178.16 178.02 1xsi h THR 255 N 1.01 1.53 -0.63 1.81 1.35 -0.31 -1.43 112.91 116.24 1xsi h THR 255 Ca 0.28 -3.13 0.06 0.00 -0.55 0.00 0.00 66.41 63.07 1xsi h THR 255 Cb -0.09 2.73 -0.05 0.00 -1.73 0.00 0.00 68.15 69.01 1xsi h THR 255 CO -0.07 0.86 0.34 -0.09 -0.25 0.00 0.00 175.52 176.32 1xsi h ARG 256 N 0.00 0.62 -0.36 4.72 2.43 -0.66 0.23 114.38 121.36 1xsi h ARG 256 Ca -0.01 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1xsi h ARG 256 Cb 1.66 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 1xsi h ARG 256 CO 0.11 0.41 -0.35 0.35 -1.51 0.00 0.00 179.97 178.98 1xsi h PHE 257 N 0.64 0.97 -0.00 2.20 3.57 -0.78 -3.37 116.94 120.16 1xsi h PHE 257 Ca 0.29 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1xsi h PHE 257 Cb 0.19 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xsi h PHE 257 CO -0.09 1.06 -0.08 0.25 -2.23 0.00 0.00 178.31 177.22 1xsi n THR 258 N -4.06 0.00 0.00 4.41 -2.24 -0.55 -0.30 114.28 111.54 1xsi n THR 258 Ca -0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1xsi n THR 258 Cb 0.52 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 1.04 4.29 3.75 3.38 0.00 0.79 -4.06 105.19 114.37 1xsi n GLY 259 Ca 0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.75 4.46 0.01 1.61 1.81 -1.18 -4.60 118.95 117.31 1xsi s ARG 260 Ca 0.00 0.99 -0.36 0.00 -1.72 0.00 0.00 55.73 54.64 1xsi s ARG 260 Cb 0.00 -3.35 -0.14 0.00 -0.45 0.00 0.00 34.95 31.00 1xsi s ARG 260 CO 0.00 0.31 1.61 -2.30 -0.68 0.00 0.00 175.30 174.24 1xsi n PRO 261 N 2.75 1.70 -1.23 3.54 -0.02 -1.25 -3.99 135.00 136.50 1xsi n PRO 261 Ca -0.04 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1xsi n PRO 261 Cb 0.50 -2.35 0.11 0.00 -0.02 0.00 0.00 33.50 31.74 1xsi n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsi n ALA 262 N 4.23 0.11 -2.59 3.55 0.00 -1.22 -3.79 120.51 120.79 1xsi n ALA 262 Ca 0.20 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 1xsi n ALA 262 Cb 0.23 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.40 1xsi n ALA 262 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xsi s LEU 263 N -5.12 4.05 0.59 0.00 2.96 -1.26 -4.71 118.68 115.18 1xsi s LEU 263 Ca 0.75 0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 54.88 1xsi s LEU 263 Cb -0.31 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1xsi s LEU 263 CO 0.49 -0.86 1.10 -2.84 -1.32 0.00 0.00 176.35 172.92 1xsi s PRO 264 N 3.41 3.18 0.56 0.98 0.02 -1.26 -4.93 135.00 136.96 1xsi s PRO 264 Ca 0.36 1.43 -0.20 0.00 0.02 0.00 0.00 61.00 62.60 1xsi s PRO 264 Cb -0.12 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.36 1xsi s PRO 264 CO 0.20 -0.95 1.24 -1.25 -0.33 0.00 0.00 177.00 175.91 1xsi s PRO 265 N -3.72 3.16 0.47 5.54 0.04 -1.25 -4.89 135.00 134.34 1xsi s PRO 265 Ca 0.68 1.94 0.14 0.00 0.04 0.00 0.00 61.00 63.80 1xsi s PRO 265 Cb -0.20 -2.11 1.08 0.00 0.04 0.00 0.00 34.50 33.30 1xsi s PRO 265 CO 0.33 -1.09 2.06 0.00 0.04 0.00 0.00 177.00 178.35 1xsi h ALA 266 N 1.26 1.81 -0.15 8.56 0.00 -1.89 -1.79 119.26 127.06 1xsi h ALA 266 Ca -0.50 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1xsi h ALA 266 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1xsi h ALA 266 CO 0.57 0.14 0.11 0.11 0.00 0.00 0.00 179.25 180.18 1xsi h TRP 267 N 0.10 0.00 0.00 0.00 5.08 -1.90 -2.26 115.95 116.97 1xsi h TRP 267 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1xsi h TRP 267 Cb 0.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.29 1xsi h TRP 267 CO 0.00 0.00 0.00 -1.13 -1.28 0.00 0.00 178.44 176.03 1xsi n SER 268 N -4.37 0.00 -0.13 0.11 3.41 -0.67 -2.28 113.62 109.68 1xsi n SER 268 Ca 0.01 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 1xsi n SER 268 Cb 0.24 -0.45 0.64 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.45 0.00 -1.15 7.33 3.72 -0.85 -4.72 117.46 120.35 1xsi n PHE 269 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1xsi n PHE 269 Cb 0.25 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.24 -0.10 3.67 1.37 0.00 -0.96 -4.77 105.19 105.64 1xsi n GLY 270 Ca 0.16 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 4.18 -0.07 0.99 2.96 -1.26 -4.34 118.68 121.13 1xsi s LEU 271 Ca 0.00 1.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.85 1xsi s LEU 271 Cb 0.00 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.55 1xsi s LEU 271 CO 0.00 -0.33 0.28 0.26 -1.32 0.00 0.00 176.35 175.24 1xsi s TRP 272 N 1.93 3.64 0.03 5.38 0.52 0.00 -1.80 118.94 128.64 1xsi s TRP 272 Ca 0.35 0.74 0.07 0.00 0.02 0.00 0.00 56.10 57.28 1xsi s TRP 272 Cb -0.16 -2.14 -0.02 0.00 -1.15 0.00 0.00 33.47 29.99 1xsi s TRP 272 CO 0.12 0.64 -0.20 -1.17 0.02 0.00 0.00 176.95 176.37 1xsi s LEU 273 N -0.88 2.13 0.28 2.99 1.98 -0.17 -0.72 118.68 124.30 1xsi s LEU 273 Ca 0.19 -0.47 0.09 0.00 -2.89 0.00 0.00 54.13 51.05 1xsi s LEU 273 Cb -0.14 -0.95 -0.04 0.00 0.66 0.00 0.00 46.19 45.72 1xsi s LEU 273 CO 0.08 0.17 0.03 -0.89 -1.89 0.00 0.00 176.35 173.85 1xsi s THR 274 N -0.71 3.37 -1.36 3.68 2.01 -0.77 -0.29 115.64 121.58 1xsi s THR 274 Ca 0.07 -1.85 0.18 0.00 0.31 0.00 0.00 61.69 60.40 1xsi s THR 274 Cb -0.08 -2.89 0.29 0.00 0.01 0.00 0.00 72.50 69.82 1xsi s THR 274 CO 0.01 -0.33 1.55 0.35 -0.69 0.00 0.00 174.62 175.51 1xsi n THR 275 N -0.96 0.52 -1.42 -0.82 -2.24 -0.94 -4.78 114.28 103.63 1xsi n THR 275 Ca -0.06 0.13 0.19 0.00 -2.27 0.00 0.00 64.05 62.05 1xsi n THR 275 Cb 0.60 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.94 1xsi n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsi n SER 276 N -1.32 -8.45 0.00 3.42 7.64 -1.26 -4.72 113.62 108.93 1xsi n SER 276 Ca 0.08 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1xsi n SER 276 Cb 0.15 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 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 -4.20 0.00 -0.86 1.43 7.35 -0.14 -4.57 117.46 116.48 1xsi n PHE 277 Ca 0.01 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.78 1xsi n PHE 277 Cb 0.65 -0.32 0.25 0.00 0.35 0.00 0.00 39.48 40.41 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 -1.91 2.10 -0.98 -2.13 -2.24 0.11 -4.57 114.28 104.67 1xsi n THR 278 Ca 0.00 -1.71 -0.29 0.00 -2.27 0.00 0.00 64.05 59.78 1xsi n THR 278 Cb 0.00 -0.13 0.21 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.53 1.90 0.32 4.28 -4.23 -1.25 -4.97 115.64 109.17 1xsi s THR 279 Ca 0.40 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.76 1xsi s THR 279 Cb 0.31 -2.38 -0.09 0.00 1.34 0.00 0.00 72.50 71.69 1xsi s THR 279 CO 0.10 0.00 0.73 0.20 -0.54 0.00 0.00 174.62 175.12 1xsi s ASN 280 N -3.31 6.76 -0.29 3.99 -0.87 -1.26 -5.04 114.94 114.93 1xsi s ASN 280 Ca 0.67 1.27 -0.24 0.00 -1.57 0.00 0.00 52.86 52.99 1xsi s ASN 280 Cb -0.18 -2.37 0.14 0.00 -0.02 0.00 0.00 41.25 38.82 1xsi s ASN 280 CO 0.59 -0.21 1.10 -0.72 -2.57 0.00 0.00 177.10 175.29 1xsi s TYR 281 N -2.00 -0.41 0.08 2.20 1.13 -1.26 -5.03 117.35 112.07 1xsi s TYR 281 Ca 0.54 0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 57.15 1xsi s TYR 281 Cb -0.10 0.38 0.01 0.00 -1.10 0.00 0.00 41.96 41.14 1xsi s TYR 281 CO 0.18 -0.20 0.14 -0.40 -2.51 0.00 0.00 175.55 172.76 1xsi n ASP 282 N 2.33 -0.39 -0.24 -0.18 3.85 -1.26 -4.96 116.55 115.70 1xsi n ASP 282 Ca -0.13 -1.41 -0.04 0.00 -0.71 0.00 0.00 54.79 52.50 1xsi n ASP 282 Cb 0.56 0.69 0.06 0.00 -1.35 0.00 0.00 41.12 41.09 1xsi n ASP 282 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1xsi h GLU 283 N 0.00 0.82 -0.33 0.11 4.81 -2.00 -0.74 114.58 117.25 1xsi h GLU 283 Ca -0.07 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1xsi h GLU 283 Cb 0.28 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1xsi h GLU 283 CO 0.09 0.55 -0.00 0.00 -0.73 0.00 0.00 179.01 178.91 1xsi h ALA 284 N 1.27 1.38 -0.07 2.92 0.00 -1.97 0.56 119.26 123.37 1xsi h ALA 284 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xsi h ALA 284 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xsi h ALA 284 CO -0.09 0.43 0.04 1.15 0.00 0.00 0.00 179.25 180.78 1xsi h THR 285 N 0.49 1.08 -0.52 0.00 2.02 -1.71 -1.27 112.91 113.00 1xsi h THR 285 Ca 0.11 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1xsi h THR 285 Cb 0.32 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1xsi h THR 285 CO 0.01 0.07 0.30 0.58 0.37 0.00 0.00 175.52 176.84 1xsi h VAL 286 N 0.02 1.17 -0.47 3.16 2.07 -0.12 -2.21 116.25 119.86 1xsi h VAL 286 Ca 0.02 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1xsi h VAL 286 Cb 0.07 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1xsi h VAL 286 CO -0.00 0.18 0.08 0.78 0.02 0.00 0.00 177.57 178.62 1xsi h ASN 287 N 0.69 0.74 -0.98 0.57 2.35 -0.88 -0.92 115.58 117.15 1xsi h ASN 287 Ca 0.18 -0.26 0.17 0.00 -0.55 0.00 0.00 56.30 55.85 1xsi h ASN 287 Cb 0.02 -0.20 -0.09 0.00 0.05 0.00 0.00 38.32 38.10 1xsi h ASN 287 CO -0.03 0.81 0.61 -1.28 -1.65 0.00 0.00 177.43 175.89 1xsi h SER 288 N 0.65 0.76 0.01 5.81 0.87 -1.02 0.59 113.55 121.20 1xsi h SER 288 Ca 0.14 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1xsi h SER 288 Cb 0.38 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1xsi h SER 288 CO 0.01 0.32 -0.00 -0.26 -0.53 0.00 0.00 176.83 176.37 1xsi h PHE 289 N 0.77 -0.01 -0.32 2.24 0.04 -0.77 -0.82 116.94 118.06 1xsi h PHE 289 Ca 0.53 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.30 1xsi h PHE 289 Cb 0.82 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1xsi h PHE 289 CO -0.00 0.47 0.19 0.82 -0.60 0.00 0.00 178.31 179.19 1xsi h ILE 290 N -0.49 1.12 -0.68 -0.55 2.04 -0.76 -0.29 117.51 117.91 1xsi h ILE 290 Ca -0.00 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1xsi h ILE 290 Cb 0.48 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1xsi h ILE 290 CO 0.00 0.12 0.16 0.44 0.00 0.00 0.00 178.15 178.88 1xsi h ASP 291 N 0.41 1.02 -0.63 1.72 3.32 0.11 -2.10 116.42 120.26 1xsi h ASP 291 Ca 0.12 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1xsi h ASP 291 Cb 0.03 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1xsi h ASP 291 CO -0.02 0.98 0.18 1.23 -1.72 0.00 0.00 179.24 179.89 1xsi h GLY 292 N 1.07 1.09 0.78 2.75 0.00 -0.60 0.90 103.07 109.07 1xsi h GLY 292 Ca 0.21 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1xsi h GLY 292 CO 0.00 0.60 -0.02 -0.33 0.00 0.00 0.00 176.54 176.79 1xsi h MET 293 N 0.98 -0.06 -0.70 4.80 2.86 -0.78 -2.89 114.93 119.13 1xsi h MET 293 Ca 0.21 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 1xsi h MET 293 Cb 0.31 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1xsi h MET 293 CO -0.00 0.17 0.14 0.00 1.06 0.00 0.00 176.91 178.28 1xsi h ALA 294 N 0.65 0.93 -0.86 6.32 0.00 -1.27 0.12 119.26 125.16 1xsi h ALA 294 Ca -0.01 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.79 1xsi h ALA 294 Cb 0.26 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1xsi h ALA 294 CO 0.01 0.67 0.56 0.93 0.00 0.00 0.00 179.25 181.42 1xsi h GLU 295 N 1.07 0.59 -0.59 0.00 5.08 -0.82 -2.10 114.58 117.81 1xsi h GLU 295 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xsi h GLU 295 Cb 0.41 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xsi h GLU 295 CO 0.01 0.39 0.00 0.54 -1.00 0.00 0.00 179.01 178.95 1xsi n ARG 296 N -4.54 2.51 -3.67 2.33 1.74 -0.93 -4.95 116.66 109.16 1xsi n ARG 296 Ca 0.17 -2.34 -0.21 0.00 -0.77 0.00 0.00 57.85 54.70 1xsi n ARG 296 Cb 0.49 -1.52 0.04 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 1.43 -1.60 -4.28 0.55 3.02 -0.79 -4.98 115.26 108.60 1xsi n ASN 297 Ca 0.22 -0.78 -0.40 0.00 -0.03 0.00 0.00 54.58 53.58 1xsi n ASN 297 Cb 0.57 -4.24 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 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 -6.67 5.09 0.32 3.41 1.43 0.39 -4.87 118.68 117.78 1xsi s LEU 298 Ca 0.05 -1.43 -0.28 0.00 -1.03 0.00 0.00 54.13 51.44 1xsi s LEU 298 Cb -0.02 -1.99 -0.13 0.00 0.03 0.00 0.00 46.19 44.07 1xsi s LEU 298 CO 0.80 -0.52 1.18 -2.65 0.23 0.00 0.00 176.35 175.39 1xsi n PRO 299 N 4.93 1.81 -3.79 1.29 -0.02 -1.26 -4.31 135.00 133.65 1xsi n PRO 299 Ca -0.10 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1xsi n PRO 299 Cb 0.43 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.38 1.06 0.00 2.45 1.98 -1.26 -4.81 118.68 117.71 1xsi s LEU 300 Ca 0.57 0.38 0.00 0.00 -2.89 0.00 0.00 54.13 52.20 1xsi s LEU 300 Cb -0.63 0.60 0.00 0.00 0.66 0.00 0.00 46.19 46.83 1xsi s LEU 300 CO 0.61 -0.09 0.00 1.41 -1.89 0.00 0.00 176.35 176.38 1xsi n HIS 301 N 3.39 0.00 -4.25 5.38 8.25 -0.75 -4.83 115.22 122.41 1xsi n HIS 301 Ca -0.17 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.10 1xsi n HIS 301 Cb 0.57 0.00 -0.16 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 -1.91 0.60 -0.05 1.59 1.01 -0.83 -0.57 120.40 120.25 1xsi s VAL 302 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1xsi s VAL 302 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1xsi s VAL 302 CO 0.00 0.22 -0.20 0.12 0.00 0.00 0.00 175.10 175.23 1xsi s PHE 303 N 0.53 2.53 -0.08 5.22 5.36 -0.14 -0.99 117.98 130.41 1xsi s PHE 303 Ca -0.07 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 55.53 1xsi s PHE 303 Cb -0.11 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1xsi s PHE 303 CO 0.00 -0.00 -0.20 -1.58 -1.46 0.00 0.00 175.22 171.99 1xsi s HIS 304 N -0.49 2.10 -0.33 10.12 5.65 0.61 -1.12 115.29 131.82 1xsi s HIS 304 Ca 0.06 -0.79 -0.14 0.00 0.25 0.00 0.00 55.06 54.44 1xsi s HIS 304 Cb -0.11 -1.43 -0.02 0.00 -1.18 0.00 0.00 32.58 29.84 1xsi s HIS 304 CO 0.01 -0.33 0.32 -0.06 -0.65 0.00 0.00 174.74 174.03 1xsi s PHE 305 N 0.36 3.22 0.00 3.88 0.08 -0.12 -2.20 117.98 123.20 1xsi s PHE 305 Ca -0.14 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1xsi s PHE 305 Cb -0.16 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.70 1xsi s PHE 305 CO 0.06 -0.38 0.00 -3.47 -0.10 0.00 0.00 175.22 171.33 1xsi n ASP 306 N 5.28 0.00 -0.35 1.36 2.03 -1.26 -1.55 116.55 122.06 1xsi n ASP 306 Ca -0.10 -0.59 0.10 0.00 0.52 0.00 0.00 54.79 54.72 1xsi n ASP 306 Cb 0.50 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 41.19 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 -4.66 0.05 0.22 0.00 3.72 -1.26 -1.76 117.46 113.77 1xsi n PHE 308 Ca 0.21 -0.02 0.07 0.00 -0.05 0.00 0.00 57.45 57.66 1xsi n PHE 308 Cb 0.47 -0.09 0.52 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.12 0.00 -1.75 1.38 5.08 -1.64 -3.44 115.95 115.69 1xsi h TRP 309 Ca 0.00 0.00 -0.44 0.00 1.08 0.00 0.00 58.89 59.53 1xsi h TRP 309 Cb 0.44 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.60 1xsi h TRP 309 CO 0.03 0.24 -0.33 -1.64 -1.28 0.00 0.00 178.44 175.45 1xsi s MET 310 N -4.20 3.07 0.29 0.12 -1.94 -0.72 -1.13 119.30 114.78 1xsi s MET 310 Ca -0.03 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 52.61 1xsi s MET 310 Cb 0.14 -2.80 -0.10 0.00 2.01 0.00 0.00 34.83 34.08 1xsi s MET 310 CO 0.66 0.02 1.29 0.15 -0.01 0.00 0.00 175.02 177.13 1xsi s LYS 311 N -4.19 4.40 0.31 2.03 1.02 -1.25 -4.69 119.74 117.36 1xsi s LYS 311 Ca 0.46 2.13 -0.28 0.00 0.02 0.00 0.00 55.97 58.30 1xsi s LYS 311 Cb -0.09 -3.12 -0.14 0.00 -0.52 0.00 0.00 37.83 33.96 1xsi s LYS 311 CO 0.31 -0.16 1.06 0.00 -0.92 0.00 0.00 175.35 175.64 1xsi n ALA 312 N 1.38 0.05 -0.84 5.17 0.00 -1.26 -1.72 120.51 123.29 1xsi n ALA 312 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1xsi n ALA 312 Cb 0.42 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 0.20 0.00 -0.57 0.00 3.72 -1.26 -4.81 117.46 114.73 1xsi n PHE 313 Ca 0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 1xsi n PHE 313 Cb 0.33 -0.95 0.09 0.00 -0.94 0.00 0.00 39.48 38.00 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 -1.47 2.17 -2.58 -1.08 6.02 -0.70 -3.87 117.38 115.87 1xsi n GLN 314 Ca 0.00 -2.11 -0.41 0.00 -0.01 0.00 0.00 57.00 54.47 1xsi n GLN 314 Cb 0.12 -1.30 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.00 3.71 -0.43 1.08 0.51 -1.25 -1.82 118.94 118.74 1xsi s TRP 315 Ca 0.19 1.73 -0.07 0.00 -2.12 0.00 0.00 56.10 55.83 1xsi s TRP 315 Cb 0.16 -3.18 0.10 0.00 -0.81 0.00 0.00 33.47 29.74 1xsi s TRP 315 CO 0.03 -0.24 0.26 0.00 -0.51 0.00 0.00 176.95 176.49 1xsi n ASP 317 N 4.80 2.11 -0.10 0.00 5.75 -0.76 -4.78 116.55 123.58 1xsi n ASP 317 Ca -0.07 -1.55 -0.01 0.00 -0.01 0.00 0.00 54.79 53.14 1xsi n ASP 317 Cb 0.42 0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.61 0.00 -3.70 2.11 3.72 -1.26 -5.02 117.46 113.93 1xsi n PHE 318 Ca 0.08 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.13 1xsi n PHE 318 Cb 0.37 -0.76 -0.08 0.00 -0.94 0.00 0.00 39.48 38.07 1xsi n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsi s GLU 319 N -0.98 4.18 0.30 -1.08 0.41 -1.26 -5.04 118.70 115.22 1xsi s GLU 319 Ca 0.00 -0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 54.08 1xsi s GLU 319 Cb 0.00 -3.44 -0.10 0.00 -1.78 0.00 0.00 34.13 28.81 1xsi s GLU 319 CO 0.00 0.25 1.20 -1.58 -0.49 0.00 0.00 175.26 174.64 1xsi s TRP 320 N 0.50 3.32 -0.37 1.61 0.52 -1.26 -3.89 118.94 119.36 1xsi s TRP 320 Ca 0.09 1.55 -0.28 0.00 0.02 0.00 0.00 56.10 57.48 1xsi s TRP 320 Cb -0.12 -3.48 -0.03 0.00 -1.15 0.00 0.00 33.47 28.69 1xsi s TRP 320 CO -0.00 -1.21 1.99 0.34 0.02 0.00 0.00 176.95 178.09 1xsi s ASP 321 N -0.65 5.49 0.51 2.95 -1.08 -0.29 -4.83 116.67 118.78 1xsi s ASP 321 Ca 0.47 1.25 0.33 0.00 -0.52 0.00 0.00 52.55 54.08 1xsi s ASP 321 Cb -0.36 -2.52 1.48 0.00 -1.46 0.00 0.00 42.92 40.06 1xsi s ASP 321 CO 0.47 -2.03 1.99 -0.65 0.52 0.00 0.00 175.17 175.46 1xsi h PRO 322 N 14.61 0.00 0.16 4.34 0.11 -1.92 0.35 132.00 149.66 1xsi h PRO 322 Ca -0.33 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.54 1xsi h PRO 322 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.33 1xsi h PRO 322 CO 1.06 0.00 -1.12 -0.07 -0.21 0.00 0.00 178.00 177.66 1xsi h LEU 323 N 0.00 0.54 0.04 2.35 3.38 -1.97 -3.12 115.31 116.53 1xsi h LEU 323 Ca 0.00 -0.93 -0.27 0.00 0.09 0.00 0.00 57.88 56.77 1xsi h LEU 323 Cb 0.37 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xsi h LEU 323 CO 0.00 1.53 -1.17 0.74 0.09 0.00 0.00 178.44 179.63 1xsi h THR 324 N -0.23 1.40 -2.33 0.22 2.02 -1.80 -3.40 112.91 108.79 1xsi h THR 324 Ca -0.21 -2.70 -0.59 0.00 0.77 0.00 0.00 66.41 63.68 1xsi h THR 324 Cb 1.80 2.73 -0.40 0.00 -1.74 0.00 0.00 68.15 70.54 1xsi h THR 324 CO 0.16 0.80 -0.89 0.49 0.37 0.00 0.00 175.52 176.46 1xsi n PHE 325 N -3.67 0.78 0.27 3.16 3.72 0.12 -4.19 117.46 117.65 1xsi n PHE 325 Ca -0.10 -3.71 0.14 0.00 -0.05 0.00 0.00 57.45 53.73 1xsi n PHE 325 Cb 0.96 -0.24 0.77 0.00 -0.94 0.00 0.00 39.48 40.03 1xsi n PHE 325 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xsi h PRO 326 N 4.77 0.00 -2.34 -1.08 0.13 -1.73 -3.34 132.00 128.41 1xsi h PRO 326 Ca 0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.71 1xsi h PRO 326 Cb 0.83 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.56 1xsi h PRO 326 CO 0.54 0.10 -0.86 -3.47 -0.23 0.00 0.00 178.00 174.08 1xsi n ASP 327 N -3.52 1.33 0.27 1.44 2.03 -1.26 -5.01 116.55 111.82 1xsi n ASP 327 Ca -0.02 -2.87 -0.16 0.00 0.52 0.00 0.00 54.79 52.26 1xsi n ASP 327 Cb 0.23 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 39.90 1xsi n ASP 327 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xsi h PRO 328 N 4.72 -0.62 0.05 -0.67 0.11 -1.99 -1.55 132.00 132.04 1xsi h PRO 328 Ca 0.17 0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.33 1xsi h PRO 328 Cb 0.81 0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1xsi h PRO 328 CO 0.57 -0.39 -0.11 1.49 -0.21 0.00 0.00 178.00 179.35 1xsi h GLU 329 N -0.70 -0.21 -0.68 1.05 4.81 -1.95 0.43 114.58 117.33 1xsi h GLU 329 Ca -0.07 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1xsi h GLU 329 Cb 0.52 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.84 1xsi h GLU 329 CO 0.11 -0.14 -0.46 0.78 -0.73 0.00 0.00 179.01 178.57 1xsi h GLY 330 N -0.22 -0.48 0.88 1.92 0.00 -1.92 0.36 103.07 103.62 1xsi h GLY 330 Ca 0.03 0.60 0.03 0.00 0.00 0.00 0.00 47.33 47.99 1xsi h GLY 330 CO -0.08 -0.14 0.50 1.98 0.00 0.00 0.00 176.54 178.80 1xsi h MET 331 N -0.18 0.94 0.02 4.80 1.85 -0.65 -1.41 114.93 120.31 1xsi h MET 331 Ca 0.19 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1xsi h MET 331 Cb 0.55 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.37 1xsi h MET 331 CO -0.75 0.62 -0.01 0.82 -0.40 0.00 0.00 176.91 177.19 1xsi h ILE 332 N 0.97 1.21 -0.63 1.77 2.04 -0.19 -2.79 117.51 119.89 1xsi h ILE 332 Ca 0.31 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.53 1xsi h ILE 332 Cb 0.01 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 1xsi h ILE 332 CO -0.11 0.19 0.28 -0.09 0.00 0.00 0.00 178.15 178.42 1xsi h ARG 333 N -0.35 0.49 -0.82 2.37 9.65 -0.71 0.55 114.38 125.57 1xsi h ARG 333 Ca -0.00 -0.03 0.12 0.00 -1.10 0.00 0.00 59.98 58.97 1xsi h ARG 333 Cb 0.33 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 1xsi h ARG 333 CO 0.01 0.32 0.54 0.00 2.80 0.00 0.00 179.97 183.64 1xsi h ARG 334 N 0.51 0.66 -0.25 0.20 3.08 -1.23 0.23 114.38 117.58 1xsi h ARG 334 Ca 0.31 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.14 1xsi h ARG 334 Cb 0.32 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1xsi h ARG 334 CO -0.26 0.44 -0.55 -0.07 -1.07 0.00 0.00 179.97 178.46 1xsi h LEU 335 N 0.68 0.91 -0.89 3.04 3.38 -0.87 -3.09 115.31 118.46 1xsi h LEU 335 Ca 0.39 -0.55 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1xsi h LEU 335 Cb 0.59 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xsi h LEU 335 CO -0.16 1.30 -0.17 0.11 0.09 0.00 0.00 178.44 179.60 1xsi h LYS 336 N 0.56 0.63 0.00 1.13 1.57 -0.14 -1.75 116.57 118.57 1xsi h LYS 336 Ca 0.00 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1xsi h LYS 336 Cb 1.16 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1xsi h LYS 336 CO 0.12 0.77 -0.00 0.00 -0.57 0.00 0.00 179.45 179.77 1xsi h ALA 337 N 1.25 1.37 -0.00 3.86 0.00 -0.50 0.28 119.26 125.52 1xsi h ALA 337 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xsi h ALA 337 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xsi h ALA 337 CO 0.04 0.00 -0.04 1.63 0.00 0.00 0.00 179.25 180.88 1xsi n LYS 338 N -3.63 0.82 -0.18 0.00 5.02 -0.66 -4.91 118.16 114.63 1xsi n LYS 338 Ca -0.03 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1xsi n LYS 338 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.19 0.71 3.79 0.72 0.00 0.99 -5.08 105.19 107.51 1xsi n GLY 339 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1xsi n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsi s LEU 340 N 0.00 4.16 0.34 0.99 1.43 -1.19 -4.97 118.68 119.43 1xsi s LEU 340 Ca 0.00 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1xsi s LEU 340 Cb 0.00 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 1xsi s LEU 340 CO 0.00 -0.33 0.55 -0.54 0.23 0.00 0.00 176.35 176.27 1xsi s LYS 341 N -2.50 3.51 -0.08 1.70 -0.14 0.27 -4.22 119.74 118.28 1xsi s LYS 341 Ca 0.56 -0.25 0.04 0.00 -1.36 0.00 0.00 55.97 54.96 1xsi s LYS 341 Cb -0.18 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.32 1xsi s LYS 341 CO 0.23 0.16 -0.21 0.42 -0.76 0.00 0.00 175.35 175.18 1xsi s ILE 342 N -2.27 1.82 -0.01 2.17 1.09 -1.26 -0.96 121.20 121.78 1xsi s ILE 342 Ca 0.41 -0.90 0.08 0.00 -1.10 0.00 0.00 60.65 59.14 1xsi s ILE 342 Cb -0.10 -1.58 -0.02 0.00 -1.06 0.00 0.00 42.46 39.70 1xsi s ILE 342 CO 0.35 0.51 -0.25 0.00 -0.10 0.00 0.00 174.94 175.45 1xsi s VAL 344 N -0.66 1.92 0.02 0.00 -7.23 -1.17 -0.94 120.40 112.33 1xsi s VAL 344 Ca 0.11 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 1xsi s VAL 344 Cb -0.10 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1xsi s VAL 344 CO -0.00 -0.14 1.20 0.86 -0.31 0.00 0.00 175.10 176.70 1xsi s TRP 345 N -1.55 3.35 0.25 2.82 -0.00 -0.59 -1.33 118.94 121.90 1xsi s TRP 345 Ca 0.13 1.27 0.05 0.00 -0.00 0.00 0.00 56.10 57.55 1xsi s TRP 345 Cb -0.08 -3.41 -0.05 0.00 -0.00 0.00 0.00 33.47 29.92 1xsi s TRP 345 CO 0.06 -1.27 -0.02 0.96 -0.00 0.00 0.00 176.95 176.68 1xsi s ILE 346 N 1.46 1.26 0.30 5.86 -4.36 -0.28 -4.88 121.20 120.57 1xsi s ILE 346 Ca 0.58 -2.06 -0.08 0.00 -0.26 0.00 0.00 60.65 58.83 1xsi s ILE 346 Cb -0.28 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1xsi s ILE 346 CO 0.27 -0.30 0.49 0.54 0.24 0.00 0.00 174.94 176.18 1xsi s ASN 347 N -3.37 0.38 -0.51 4.36 4.22 -1.26 -1.34 114.94 117.42 1xsi s ASN 347 Ca 0.29 -1.23 0.02 0.00 -2.14 0.00 0.00 52.86 49.81 1xsi s ASN 347 Cb 0.05 0.64 0.53 0.00 1.28 0.00 0.00 41.25 43.75 1xsi s ASN 347 CO 0.10 -1.25 1.84 -0.81 -2.04 0.00 0.00 177.10 174.95 1xsi n PRO 348 N -0.47 2.53 -4.36 3.55 -0.04 -1.26 -4.72 135.00 130.22 1xsi n PRO 348 Ca -0.01 -3.28 -0.18 0.00 -0.04 0.00 0.00 63.50 59.99 1xsi n PRO 348 Cb 0.62 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 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 -3.56 1.69 -0.10 0.54 2.02 -1.26 -1.87 117.35 114.81 1xsi s TYR 349 Ca 0.58 -0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1xsi s TYR 349 Cb 0.48 -1.00 0.05 0.00 -0.40 0.00 0.00 41.96 41.08 1xsi s TYR 349 CO 0.03 -0.00 0.22 -1.50 -1.57 0.00 0.00 175.55 172.73 1xsi s ILE 350 N -3.36 -0.08 0.51 2.71 2.07 0.09 -1.18 121.20 121.96 1xsi s ILE 350 Ca 0.31 0.17 -0.21 0.00 -1.41 0.00 0.00 60.65 59.51 1xsi s ILE 350 Cb 0.06 -0.35 -0.06 0.00 0.13 0.00 0.00 42.46 42.24 1xsi s ILE 350 CO 0.11 0.07 1.17 -0.83 -1.91 0.00 0.00 174.94 173.55 1xsi s GLY 351 N 1.39 2.74 0.32 1.50 0.00 -0.06 -1.35 107.32 111.86 1xsi s GLY 351 Ca -0.08 0.94 0.12 0.00 0.00 0.00 0.00 44.72 45.70 1xsi s GLY 351 CO -0.08 1.36 1.72 -1.61 0.00 0.00 0.00 173.10 174.49 1xsi h GLN 352 N 1.56 0.00 -0.34 2.90 4.15 -1.37 -2.79 115.11 119.23 1xsi h GLN 352 Ca -0.50 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.02 1xsi h GLN 352 Cb 1.26 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 1xsi h GLN 352 CO 0.58 0.49 0.37 -0.22 -1.93 0.00 0.00 178.83 178.12 1xsi h LYS 353 N 0.00 0.00 -6.88 1.69 3.64 -1.77 -3.44 116.57 109.81 1xsi h LYS 353 Ca -0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.84 1xsi h LYS 353 Cb 0.87 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 32.79 1xsi h LYS 353 CO 0.06 0.00 0.84 0.45 -2.27 0.00 0.00 179.45 178.53 1xsi s SER 354 N -5.43 6.35 0.61 4.20 0.15 -1.05 -4.86 113.70 113.66 1xsi s SER 354 Ca -0.04 3.01 0.32 0.00 0.70 0.00 0.00 55.95 59.93 1xsi s SER 354 Cb 0.15 -2.65 1.81 0.00 -1.71 0.00 0.00 66.02 63.63 1xsi s SER 354 CO 0.55 -0.90 2.16 -0.65 1.20 0.00 0.00 173.24 175.60 1xsi h PRO 355 N 3.91 0.00 0.00 5.44 0.11 -1.92 -2.34 132.00 137.20 1xsi h PRO 355 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xsi h PRO 355 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xsi h PRO 355 CO 0.72 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.79 1xsi h VAL 356 N 0.00 0.00 -0.05 3.15 2.07 -1.92 -3.34 116.25 116.16 1xsi h VAL 356 Ca 0.05 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1xsi h VAL 356 Cb 0.32 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1xsi h VAL 356 CO -0.00 0.00 -0.05 0.15 0.02 0.00 0.00 177.57 177.69 1xsi h PHE 357 N 0.00 -0.13 -0.44 1.57 3.04 -1.70 -1.11 116.94 118.18 1xsi h PHE 357 Ca 0.00 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1xsi h PHE 357 Cb 0.98 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 1xsi h PHE 357 CO 0.00 -0.09 0.21 -0.22 -2.02 0.00 0.00 178.31 176.19 1xsi h LYS 358 N -0.07 0.60 -0.08 1.11 3.64 -1.76 -0.02 116.57 119.99 1xsi h LYS 358 Ca 0.04 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xsi h LYS 358 Cb 0.13 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xsi h LYS 358 CO -0.09 0.47 0.03 1.49 -2.27 0.00 0.00 179.45 179.08 1xsi h GLU 359 N 0.61 0.12 -0.75 1.90 4.81 -1.54 -0.23 114.58 119.49 1xsi h GLU 359 Ca 0.15 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1xsi h GLU 359 Cb 0.07 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1xsi h GLU 359 CO -0.02 0.24 0.33 -0.07 -0.73 0.00 0.00 179.01 178.76 1xsi h LEU 360 N -0.02 1.00 0.20 1.64 3.38 -0.44 -1.89 115.31 119.18 1xsi h LEU 360 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xsi h LEU 360 Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xsi h LEU 360 CO -0.00 0.87 -0.10 -0.61 0.09 0.00 0.00 178.44 178.69 1xsi h GLN 361 N 1.08 -0.26 -0.77 1.13 4.15 -0.90 -1.66 115.11 117.87 1xsi h GLN 361 Ca 0.26 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.82 1xsi h GLN 361 Cb 0.16 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1xsi h GLN 361 CO -0.03 -0.13 0.51 0.93 -1.93 0.00 0.00 178.83 178.18 1xsi h GLU 362 N -0.33 0.53 0.00 1.69 5.08 -0.73 -1.29 114.58 119.53 1xsi h GLU 362 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xsi h GLU 362 Cb 0.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xsi h GLU 362 CO 0.05 0.35 -0.58 1.63 -1.00 0.00 0.00 179.01 179.45 1xsi n LYS 363 N -4.50 0.09 -2.31 2.33 5.02 -0.74 -4.97 118.16 113.08 1xsi n LYS 363 Ca 0.14 0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.40 1xsi n LYS 363 Cb 0.45 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.45 0.34 0.08 0.72 0.00 -0.49 -4.95 105.19 102.35 1xsi n GLY 364 Ca 0.05 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.67 0.00 -3.58 1.61 4.02 -0.73 -4.94 117.16 109.88 1xsi n TYR 365 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.53 1xsi n TYR 365 Cb 0.53 -0.14 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 1xsi n TYR 365 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1xsi s LEU 366 N -2.87 4.27 0.18 7.72 1.43 -1.26 -1.57 118.68 126.57 1xsi s LEU 366 Ca 0.13 0.73 -0.32 0.00 -1.03 0.00 0.00 54.13 53.64 1xsi s LEU 366 Cb 0.17 -3.31 -0.11 0.00 0.03 0.00 0.00 46.19 42.98 1xsi s LEU 366 CO 0.71 0.06 1.72 -0.22 0.23 0.00 0.00 176.35 178.85 1xsi s LEU 367 N -2.48 4.38 0.16 1.79 2.96 0.19 -4.74 118.68 120.94 1xsi s LEU 367 Ca 0.40 2.80 0.05 0.00 -0.22 0.00 0.00 54.13 57.16 1xsi s LEU 367 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1xsi s LEU 367 CO 0.22 -0.96 0.13 -0.54 -1.32 0.00 0.00 176.35 173.88 1xsi s LYS 368 N 1.56 2.89 0.68 1.98 1.02 -1.26 -1.82 119.74 124.79 1xsi s LYS 368 Ca 0.75 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 55.78 1xsi s LYS 368 Cb -0.48 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1xsi s LYS 368 CO 0.33 0.49 1.06 1.03 -0.92 0.00 0.00 175.35 177.34 1xsi s ARG 369 N -3.03 3.07 0.47 1.68 0.52 -0.16 -1.32 118.95 120.19 1xsi s ARG 369 Ca 0.31 0.72 0.26 0.00 -0.52 0.00 0.00 55.73 56.50 1xsi s ARG 369 Cb -0.10 -2.02 1.31 0.00 0.52 0.00 0.00 34.95 34.65 1xsi s ARG 369 CO 0.23 -0.94 1.80 -1.35 0.02 0.00 0.00 175.30 175.06 1xsi h PRO 370 N -0.59 0.20 0.00 3.54 0.11 -1.83 -0.25 132.00 133.18 1xsi h PRO 370 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xsi h PRO 370 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xsi h PRO 370 CO 0.61 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 1xsi n ASP 371 N -4.43 0.00 0.00 -2.05 5.68 -1.26 -4.92 116.55 109.57 1xsi n ASP 371 Ca 0.24 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 1xsi n ASP 371 Cb 1.01 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 1xsi n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsi n GLY 372 N 1.08 0.59 3.86 6.12 0.00 -0.10 -5.08 105.19 111.66 1xsi n GLY 372 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.55 3.10 0.12 1.61 1.04 -1.26 -4.77 113.70 110.99 1xsi s SER 373 Ca 0.00 0.49 -0.18 0.00 0.48 0.00 0.00 55.95 56.74 1xsi s SER 373 Cb 0.00 -0.70 -0.07 0.00 0.10 0.00 0.00 66.02 65.35 1xsi s SER 373 CO 0.00 -2.76 0.59 -0.76 0.98 0.00 0.00 173.24 171.29 1xsi s LEU 374 N -6.00 4.44 -0.09 2.42 1.43 -1.26 -0.99 118.68 118.62 1xsi s LEU 374 Ca 0.70 1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 1xsi s LEU 374 Cb -0.07 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1xsi s LEU 374 CO 0.53 0.18 1.64 0.86 0.23 0.00 0.00 176.35 179.78 1xsi s TRP 375 N -1.30 2.03 0.06 0.29 -0.00 -0.76 -4.66 118.94 114.61 1xsi s TRP 375 Ca 0.34 0.31 0.03 0.00 -0.00 0.00 0.00 56.10 56.78 1xsi s TRP 375 Cb -0.18 -3.90 -0.03 0.00 -0.00 0.00 0.00 33.47 29.36 1xsi s TRP 375 CO 0.19 -3.57 -0.08 -0.65 -0.00 0.00 0.00 176.95 172.84 1xsi s GLN 376 N 4.17 0.65 0.19 5.86 -0.21 -1.26 -4.45 119.66 124.60 1xsi s GLN 376 Ca 0.73 -0.94 -0.01 0.00 0.02 0.00 0.00 55.36 55.16 1xsi s GLN 376 Cb -0.31 -0.35 0.00 0.00 1.00 0.00 0.00 33.01 33.35 1xsi s GLN 376 CO 0.29 0.05 0.26 -2.67 -2.12 0.00 0.00 175.29 171.10 1xsi n TRP 377 N 1.05 -0.97 -0.32 0.91 2.14 -1.05 -4.94 117.44 114.26 1xsi n TRP 377 Ca -0.20 -1.25 0.08 0.00 2.07 0.00 0.00 57.50 58.20 1xsi n TRP 377 Cb 0.56 0.29 0.22 0.00 -0.81 0.00 0.00 31.31 31.57 1xsi n TRP 377 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1xsi n ASP 378 N -1.87 3.38 -4.75 -0.67 8.00 -1.26 -0.92 116.55 118.46 1xsi n ASP 378 Ca 0.00 -2.11 -0.40 0.00 0.71 0.00 0.00 54.79 53.00 1xsi n ASP 378 Cb 0.31 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.20 4.83 0.00 -1.24 1.02 -1.26 -4.37 119.74 117.52 1xsi s LYS 379 Ca 0.33 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.81 1xsi s LYS 379 Cb 0.18 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1xsi s LYS 379 CO 0.20 0.49 0.00 1.87 -0.92 0.00 0.00 175.35 176.99 1xsi n TRP 380 N 1.41 0.00 -4.76 3.18 -0.00 -1.26 -4.75 117.44 111.26 1xsi n TRP 380 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.50 57.20 1xsi n TRP 380 Cb 0.47 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.64 1xsi n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsi s GLN 381 N 0.00 1.60 0.20 5.87 -1.52 -1.26 -5.01 119.66 119.54 1xsi s GLN 381 Ca 0.00 -1.06 -0.32 0.00 -1.95 0.00 0.00 55.36 52.03 1xsi s GLN 381 Cb 0.00 -1.78 -0.11 0.00 -0.22 0.00 0.00 33.01 30.90 1xsi s GLN 381 CO 0.00 0.45 1.67 -2.14 -0.25 0.00 0.00 175.29 175.02 1xsi s PRO 382 N -1.29 4.15 -1.14 2.91 0.02 -1.26 -2.64 135.00 135.75 1xsi s PRO 382 Ca 0.10 2.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.62 1xsi s PRO 382 Cb -0.10 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1xsi s PRO 382 CO 0.02 -0.70 0.53 0.41 -0.33 0.00 0.00 177.00 176.93 1xsi n GLY 383 N 3.76 -0.21 3.77 0.52 0.00 -1.14 -1.85 105.19 110.03 1xsi n GLY 383 Ca 0.15 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.21 4.45 0.30 0.99 0.20 -0.10 -3.36 118.68 115.95 1xsi s LEU 384 Ca 0.26 2.56 0.06 0.00 0.69 0.00 0.00 54.13 57.70 1xsi s LEU 384 Cb -0.12 -3.67 -0.06 0.00 -0.43 0.00 0.00 46.19 41.92 1xsi s LEU 384 CO 0.33 -0.44 -0.02 0.00 -0.29 0.00 0.00 176.35 175.92 1xsi s ALA 385 N -1.16 2.40 -0.09 5.97 0.00 -0.46 -2.54 121.76 125.88 1xsi s ALA 385 Ca 0.48 -1.97 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1xsi s ALA 385 Cb -0.37 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1xsi s ALA 385 CO 0.49 -0.14 -0.14 0.42 0.00 0.00 0.00 175.76 176.39 1xsi s ILE 386 N -3.07 3.06 0.14 0.00 1.01 -1.26 -0.73 121.20 120.35 1xsi s ILE 386 Ca 0.32 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 1xsi s ILE 386 Cb 0.06 -2.24 -0.09 0.00 0.01 0.00 0.00 42.46 40.19 1xsi s ILE 386 CO 0.13 0.56 1.52 -0.31 0.00 0.00 0.00 174.94 176.83 1xsi s TYR 387 N -0.17 3.07 -0.89 3.97 1.51 -0.78 -0.63 117.35 123.43 1xsi s TYR 387 Ca -0.00 0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 56.57 1xsi s TYR 387 Cb -0.13 -3.85 0.12 0.00 -0.11 0.00 0.00 41.96 37.99 1xsi s TYR 387 CO 0.03 -3.11 1.10 0.34 -1.11 0.00 0.00 175.55 172.80 1xsi s ASP 388 N 1.24 6.55 0.00 2.29 -1.08 -0.61 -4.77 116.67 120.29 1xsi s ASP 388 Ca 0.68 -1.88 0.02 0.00 -0.52 0.00 0.00 52.55 50.86 1xsi s ASP 388 Cb -0.41 -2.40 0.10 0.00 -1.46 0.00 0.00 42.92 38.75 1xsi s ASP 388 CO 0.31 -1.12 0.83 0.49 0.52 0.00 0.00 175.17 176.20 1xsi n PHE 389 N 6.74 0.00 1.00 -5.34 0.99 -1.26 -1.39 117.46 118.20 1xsi n PHE 389 Ca 0.20 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.75 1xsi n PHE 389 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.95 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 -0.54 0.00 -3.06 4.37 -2.24 -1.26 -4.79 114.28 106.76 1xsi n THR 390 Ca 0.01 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1xsi n THR 390 Cb 0.01 1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.51 6.35 0.30 3.42 3.84 -0.49 -4.26 114.94 121.59 1xsi s ASN 391 Ca 0.18 -0.25 0.04 0.00 0.21 0.00 0.00 52.86 53.04 1xsi s ASN 391 Cb 0.18 -2.34 0.68 0.00 -0.55 0.00 0.00 41.25 39.22 1xsi s ASN 391 CO 0.59 -0.82 1.79 -0.65 -2.79 0.00 0.00 177.10 175.23 1xsi h PRO 392 N 8.89 0.80 0.00 0.43 0.11 -1.86 -1.01 132.00 139.36 1xsi h PRO 392 Ca -0.25 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.64 1xsi h PRO 392 Cb 1.09 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1xsi h PRO 392 CO 0.91 0.53 -0.80 -0.44 -0.21 0.00 0.00 178.00 177.99 1xsi h ASP 393 N 0.82 0.01 -0.67 -2.05 3.32 -1.93 -2.43 116.42 113.49 1xsi h ASP 393 Ca 0.55 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.57 1xsi h ASP 393 Cb 0.78 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1xsi h ASP 393 CO -0.35 0.80 0.29 0.00 -1.72 0.00 0.00 179.24 178.26 1xsi h ALA 394 N 1.20 0.87 -0.65 3.45 0.00 -1.50 -1.56 119.26 121.08 1xsi h ALA 394 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1xsi h ALA 394 Cb 1.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1xsi h ALA 394 CO 0.10 0.46 0.14 0.00 0.00 0.00 0.00 179.25 179.96 1xsi h LYS 396 N 0.96 0.61 -0.65 0.00 3.64 -1.36 0.13 116.57 119.91 1xsi h LYS 396 Ca 0.20 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1xsi h LYS 396 Cb 0.38 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1xsi h LYS 396 CO 0.00 0.41 0.34 2.35 -2.27 0.00 0.00 179.45 180.28 1xsi h TRP 397 N 0.63 0.89 0.04 1.91 7.01 -0.95 -0.09 115.95 125.39 1xsi h TRP 397 Ca 0.17 -0.02 -0.19 0.00 2.11 0.00 0.00 58.89 60.96 1xsi h TRP 397 Cb -0.07 -0.28 0.02 0.00 -2.10 0.00 0.00 29.16 26.72 1xsi h TRP 397 CO -0.04 0.63 -0.77 -0.92 -2.79 0.00 0.00 178.44 174.55 1xsi h TYR 398 N 0.91 0.69 -0.94 2.65 3.20 -0.81 -2.90 116.97 119.77 1xsi h TYR 398 Ca 0.23 -0.41 0.10 0.00 3.14 0.00 0.00 58.73 61.79 1xsi h TYR 398 Cb 0.05 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 1xsi h TYR 398 CO 0.01 1.25 0.60 0.00 -1.64 0.00 0.00 178.16 178.38 1xsi h ALA 399 N 0.28 1.57 -0.51 1.82 0.00 -0.77 -2.47 119.26 119.17 1xsi h ALA 399 Ca -0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1xsi h ALA 399 Cb 1.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1xsi h ALA 399 CO 0.15 0.24 -0.12 -0.44 0.00 0.00 0.00 179.25 179.08 1xsi h ASP 400 N 0.97 0.96 -0.64 0.00 3.32 -0.95 0.28 116.42 120.36 1xsi h ASP 400 Ca 0.44 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1xsi h ASP 400 Cb 0.38 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1xsi h ASP 400 CO -0.20 1.08 0.40 0.11 -1.72 0.00 0.00 179.24 178.91 1xsi h LYS 401 N 0.85 0.75 -0.19 3.56 1.79 -1.29 -0.35 116.57 121.71 1xsi h LYS 401 Ca 0.13 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1xsi h LYS 401 Cb 0.67 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1xsi h LYS 401 CO 0.05 0.50 0.05 -0.07 -1.08 0.00 0.00 179.45 178.90 1xsi h LEU 402 N 0.78 0.28 -1.14 2.94 3.38 -0.95 -2.15 115.31 118.46 1xsi h LEU 402 Ca 0.26 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1xsi h LEU 402 Cb 0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1xsi h LEU 402 CO -0.10 0.43 0.60 0.11 0.09 0.00 0.00 178.44 179.56 1xsi h LYS 403 N 0.13 0.95 -0.65 1.13 1.57 -0.22 0.33 116.57 119.81 1xsi h LYS 403 Ca 0.06 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1xsi h LYS 403 Cb 0.25 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1xsi h LYS 403 CO -0.00 0.63 0.43 0.78 -0.57 0.00 0.00 179.45 180.72 1xsi h GLY 404 N 0.98 0.77 1.29 3.86 0.00 -0.60 0.94 103.07 110.31 1xsi h GLY 404 Ca 0.42 -0.24 -0.27 0.00 0.00 0.00 0.00 47.33 47.24 1xsi h GLY 404 CO -0.18 0.17 -1.12 1.41 0.00 0.00 0.00 176.54 176.82 1xsi h LEU 405 N 0.59 0.82 -0.31 3.11 3.38 -0.36 -2.97 115.31 119.57 1xsi h LEU 405 Ca 0.29 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1xsi h LEU 405 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xsi h LEU 405 CO -0.09 1.51 0.17 0.58 0.09 0.00 0.00 178.44 180.70 1xsi h VAL 406 N 0.31 1.13 0.00 1.22 2.07 -0.67 -1.54 116.25 118.77 1xsi h VAL 406 Ca -0.15 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1xsi h VAL 406 Cb 1.78 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1xsi h VAL 406 CO 0.21 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.89 1xsi h ALA 407 N 1.04 1.42 -0.08 1.67 0.00 -0.88 0.44 119.26 122.87 1xsi h ALA 407 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xsi h ALA 407 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xsi h ALA 407 CO -0.02 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1xsi n MET 408 N -3.75 1.45 0.00 0.00 0.00 -0.76 -4.91 117.12 109.15 1xsi n MET 408 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 57.70 57.01 1xsi n MET 408 Cb 0.14 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1xsi n MET 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xsi n GLY 409 N 1.03 0.98 3.73 3.17 0.00 0.16 -4.65 105.19 109.61 1xsi n GLY 409 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xsi n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xsi s VAL 410 N -2.00 2.76 -0.13 1.61 1.01 -0.66 -4.71 120.40 118.28 1xsi s VAL 410 Ca 0.00 0.60 0.20 0.00 0.00 0.00 0.00 61.98 62.78 1xsi s VAL 410 Cb 0.00 -3.38 -0.19 0.00 0.00 0.00 0.00 36.38 32.81 1xsi s VAL 410 CO 0.00 0.08 0.64 0.47 0.00 0.00 0.00 175.10 176.28 1xsi n ASP 411 N 2.99 0.45 -3.18 3.32 8.00 0.19 -4.36 116.55 123.97 1xsi n ASP 411 Ca 0.09 0.19 -0.07 0.00 0.71 0.00 0.00 54.79 55.71 1xsi n ASP 411 Cb 0.40 0.92 0.01 0.00 -0.02 0.00 0.00 41.12 42.44 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 -2.59 0.81 -0.48 0.00 0.40 -1.25 -3.06 117.98 111.80 1xsi s PHE 413 Ca 0.16 -0.27 -0.20 0.00 -0.60 0.00 0.00 56.93 56.02 1xsi s PHE 413 Cb -0.05 -0.50 0.04 0.00 0.51 0.00 0.00 43.02 43.03 1xsi s PHE 413 CO 0.09 -0.02 0.65 0.21 0.70 0.00 0.00 175.22 176.86 1xsi s LYS 414 N -0.73 3.20 -1.07 0.44 2.20 -0.44 -1.31 119.74 122.03 1xsi s LYS 414 Ca -0.00 -0.64 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 1xsi s LYS 414 Cb -0.06 -4.04 0.15 0.00 -1.51 0.00 0.00 37.83 32.38 1xsi s LYS 414 CO 0.00 -1.16 1.28 0.95 -0.36 0.00 0.00 175.35 176.07 1xsi s THR 415 N 2.81 4.87 0.80 3.43 -4.23 -0.03 -1.12 115.64 122.17 1xsi s THR 415 Ca 0.19 -2.09 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 1xsi s THR 415 Cb -0.17 -4.85 0.07 0.00 1.34 0.00 0.00 72.50 68.90 1xsi s THR 415 CO 0.15 -1.57 1.10 -0.62 -0.54 0.00 0.00 174.62 173.15 1xsi s ASP 416 N 3.25 4.49 0.91 3.99 -1.08 -0.45 -2.02 116.67 125.77 1xsi s ASP 416 Ca 0.38 1.28 0.00 0.00 -0.52 0.00 0.00 52.55 53.68 1xsi s ASP 416 Cb -0.04 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1xsi s ASP 416 CO -0.05 -1.97 0.00 0.49 0.52 0.00 0.00 175.17 174.16 1xsi n PHE 417 N -3.43 -0.53 -0.18 -5.34 3.01 -1.26 -4.39 117.46 105.34 1xsi n PHE 417 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1xsi n PHE 417 Cb 0.56 0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 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 0.78 0.14 1.37 0.00 -1.26 -4.02 105.19 102.20 1xsi n GLY 418 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.11 0.75 -2.09 1.61 0.00 -1.26 -4.28 120.64 113.26 1xsi n GLU 419 Ca 0.00 0.26 -0.41 0.00 0.00 0.00 0.00 57.16 57.01 1xsi n GLU 419 Cb 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 31.44 29.73 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 -3.44 4.08 -2.99 3.44 1.74 -1.26 -4.55 116.66 113.67 1xsi n ARG 420 Ca -0.31 -3.39 -0.41 0.00 -0.77 0.00 0.00 57.85 52.97 1xsi n ARG 420 Cb 1.05 -2.78 -0.05 0.00 -1.02 0.00 0.00 32.46 29.65 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 -0.18 4.90 0.63 0.55 -1.09 -1.26 -5.05 121.20 119.70 1xsi s ILE 421 Ca 0.49 1.37 -0.13 0.00 -2.23 0.00 0.00 60.65 60.15 1xsi s ILE 421 Cb 0.15 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1xsi s ILE 421 CO -0.05 -0.03 1.04 -2.16 -1.23 0.00 0.00 174.94 172.52 1xsi s PRO 422 N 2.68 3.30 -0.02 2.79 0.04 -1.26 -4.77 135.00 137.76 1xsi s PRO 422 Ca 0.31 0.99 0.14 0.00 0.04 0.00 0.00 61.00 62.48 1xsi s PRO 422 Cb -0.15 -2.04 -0.21 0.00 0.04 0.00 0.00 34.50 32.13 1xsi s PRO 422 CO 0.08 -0.81 0.34 0.25 0.04 0.00 0.00 177.00 176.90 1xsi n THR 423 N -2.54 0.00 -1.90 1.26 -2.24 -1.26 -4.72 114.28 102.88 1xsi n THR 423 Ca 0.07 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1xsi n THR 423 Cb 0.53 0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.92 5.19 -3.70 3.42 3.85 -1.26 -4.78 116.55 117.34 1xsi n ASP 424 Ca -0.02 -2.92 -0.10 0.00 -0.71 0.00 0.00 54.79 51.04 1xsi n ASP 424 Cb 0.36 -1.56 -0.05 0.00 -1.35 0.00 0.00 41.12 38.52 1xsi n ASP 424 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsi s VAL 425 N 1.80 0.06 -0.25 2.12 0.11 -1.26 -4.59 120.40 118.39 1xsi s VAL 425 Ca 0.48 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1xsi s VAL 425 Cb 0.13 -1.36 0.07 0.00 -1.53 0.00 0.00 36.38 33.69 1xsi s VAL 425 CO -0.06 -0.27 -0.03 -1.58 -3.33 0.00 0.00 175.10 169.83 1xsi s GLN 426 N -3.84 1.51 0.54 1.54 0.74 -0.43 -4.69 119.66 115.02 1xsi s GLN 426 Ca 0.06 -1.04 -0.19 0.00 0.05 0.00 0.00 55.36 54.25 1xsi s GLN 426 Cb 0.01 -2.57 -0.06 0.00 1.10 0.00 0.00 33.01 31.49 1xsi s GLN 426 CO -0.08 -0.65 1.10 -1.58 -0.55 0.00 0.00 175.29 173.53 1xsi s TRP 427 N 1.39 2.77 0.26 1.67 0.52 -1.26 -4.16 118.94 120.13 1xsi s TRP 427 Ca -0.03 1.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.62 1xsi s TRP 427 Cb -0.19 -3.21 0.49 0.00 -1.15 0.00 0.00 33.47 29.42 1xsi s TRP 427 CO -0.08 -1.36 1.79 0.35 0.02 0.00 0.00 176.95 177.67 1xsi h PHE 428 N 1.17 0.84 -0.10 -1.98 3.57 -1.94 -0.28 116.94 118.22 1xsi h PHE 428 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1xsi h PHE 428 Cb 1.25 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1xsi h PHE 428 CO 0.53 0.26 0.00 -0.40 -2.23 0.00 0.00 178.31 176.48 1xsi n ASP 429 N -4.80 0.88 -1.29 0.41 5.75 -1.26 -4.91 116.55 111.32 1xsi n ASP 429 Ca 0.16 -1.62 -0.15 0.00 -0.01 0.00 0.00 54.79 53.16 1xsi n ASP 429 Cb 0.38 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.35 1xsi n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsi n GLY 430 N 0.94 1.22 3.66 6.12 0.00 -0.12 -5.00 105.19 112.02 1xsi n GLY 430 Ca 0.14 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1xsi n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsi s SER 431 N -2.74 2.79 -0.24 1.61 0.01 -1.26 -4.94 113.70 108.92 1xsi s SER 431 Ca 0.00 1.60 -0.29 0.00 1.31 0.00 0.00 55.95 58.57 1xsi s SER 431 Cb 0.00 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1xsi s SER 431 CO 0.00 -3.09 1.51 -0.62 0.41 0.00 0.00 173.24 171.46 1xsi s ASP 432 N -3.10 6.48 0.55 2.44 -1.08 0.89 -4.65 116.67 118.20 1xsi s ASP 432 Ca 0.65 1.49 0.23 0.00 -0.52 0.00 0.00 52.55 54.40 1xsi s ASP 432 Cb -0.20 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.24 1xsi s ASP 432 CO 0.59 -1.19 2.19 -0.65 0.52 0.00 0.00 175.17 176.62 1xsi h PRO 433 N 10.23 0.00 -0.34 4.34 0.11 -1.88 -0.13 132.00 144.34 1xsi h PRO 433 Ca -0.31 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 1xsi h PRO 433 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1xsi h PRO 433 CO 1.01 0.00 -0.09 1.96 -0.21 0.00 0.00 178.00 180.67 1xsi h GLN 434 N 0.00 0.58 0.09 1.05 1.08 -1.90 -2.64 115.11 113.36 1xsi h GLN 434 Ca 0.01 -0.16 -0.26 0.00 -1.45 0.00 0.00 58.65 56.79 1xsi h GLN 434 Cb 0.06 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1xsi h GLN 434 CO -0.00 0.67 -1.20 0.87 -0.95 0.00 0.00 178.83 178.22 1xsi h LYS 435 N 0.53 0.19 0.00 1.46 1.57 -1.37 -3.30 116.57 115.66 1xsi h LYS 435 Ca 0.10 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1xsi h LYS 435 Cb 0.48 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1xsi h LYS 435 CO 0.03 1.14 -0.11 0.52 -0.57 0.00 0.00 179.45 180.46 1xsi h MET 436 N 0.05 0.00 -0.24 3.15 2.86 -1.02 -2.86 114.93 116.88 1xsi h MET 436 Ca -0.11 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1xsi h MET 436 Cb 1.92 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.55 1xsi h MET 436 CO 0.18 0.11 0.06 1.25 1.06 0.00 0.00 176.91 179.57 1xsi h HIS 437 N 0.00 0.10 0.18 -0.22 -0.00 -1.55 -0.68 115.15 112.97 1xsi h HIS 437 Ca -0.00 0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 60.04 1xsi h HIS 437 Cb 0.39 -0.01 0.01 0.00 -0.00 0.00 0.00 27.41 27.80 1xsi h HIS 437 CO 0.00 0.03 -1.71 -0.91 -0.00 0.00 0.00 177.93 175.34 1xsi h ASN 438 N 0.15 0.59 0.37 3.26 2.35 -1.77 -3.36 115.58 117.17 1xsi h ASN 438 Ca 0.11 -0.93 -0.04 0.00 -0.55 0.00 0.00 56.30 54.89 1xsi h ASN 438 Cb 0.10 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1xsi h ASN 438 CO -0.13 1.77 -0.19 -0.74 -1.65 0.00 0.00 177.43 176.49 1xsi h HIS 439 N 0.05 0.00 -0.85 1.19 2.76 -1.46 -2.43 115.15 114.41 1xsi h HIS 439 Ca -0.34 0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.05 1xsi h HIS 439 Cb 2.05 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 30.87 1xsi h HIS 439 CO 0.11 0.19 0.15 -0.92 -1.30 0.00 0.00 177.93 176.15 1xsi h TYR 440 N 0.00 0.20 -0.78 5.26 3.20 -1.27 -0.21 116.97 123.36 1xsi h TYR 440 Ca -0.00 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.04 1xsi h TYR 440 Cb 0.43 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.67 1xsi h TYR 440 CO 0.00 -0.24 0.40 0.00 -1.64 0.00 0.00 178.16 176.68 1xsi h ALA 441 N 1.78 1.12 -0.15 1.82 0.00 -1.61 -0.91 119.26 121.32 1xsi h ALA 441 Ca 0.52 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1xsi h ALA 441 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xsi h ALA 441 CO -0.69 -0.04 0.02 -0.92 0.00 0.00 0.00 179.25 177.62 1xsi h TYR 442 N 0.64 0.27 -0.01 0.00 3.20 -1.20 -2.04 116.97 117.83 1xsi h TYR 442 Ca 0.40 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 1xsi h TYR 442 Cb 0.48 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1xsi h TYR 442 CO -0.10 0.44 -0.44 -0.84 -1.64 0.00 0.00 178.16 175.58 1xsi h ILE 443 N 0.02 1.32 0.32 1.81 3.07 -0.85 0.18 117.51 123.37 1xsi h ILE 443 Ca 0.04 -1.50 -0.02 0.00 1.55 0.00 0.00 64.86 64.93 1xsi h ILE 443 Cb 0.32 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1xsi h ILE 443 CO 0.00 0.43 -0.15 0.22 -1.05 0.00 0.00 178.15 177.60 1xsi h TYR 444 N 0.01 -0.39 -0.64 0.16 -0.00 -1.23 -1.36 116.97 113.52 1xsi h TYR 444 Ca -0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.64 1xsi h TYR 444 Cb 0.78 0.13 -0.02 0.00 -0.00 0.00 0.00 36.73 37.61 1xsi h TYR 444 CO 0.00 -0.09 0.10 -0.91 -0.00 0.00 0.00 178.16 177.25 1xsi h ASN 445 N -0.69 1.02 -0.56 -2.11 2.35 -1.11 -2.21 115.58 112.28 1xsi h ASN 445 Ca -0.04 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.47 1xsi h ASN 445 Cb 0.48 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1xsi h ASN 445 CO 0.07 1.03 0.33 -0.08 -1.65 0.00 0.00 177.43 177.13 1xsi h GLU 446 N 0.98 0.64 -0.35 0.81 4.81 -0.67 -0.53 114.58 120.26 1xsi h GLU 446 Ca 0.19 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1xsi h GLU 446 Cb 0.45 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1xsi h GLU 446 CO 0.01 0.42 0.20 1.25 -0.73 0.00 0.00 179.01 180.17 1xsi h LEU 447 N 0.66 0.32 -0.44 1.64 6.46 -0.91 -1.26 115.31 121.77 1xsi h LEU 447 Ca 0.23 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 1xsi h LEU 447 Cb 0.04 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1xsi h LEU 447 CO -0.11 0.23 -0.10 0.58 -0.62 0.00 0.00 178.44 178.42 1xsi h VAL 448 N 0.41 1.27 -0.40 1.05 2.07 -1.07 -2.19 116.25 117.39 1xsi h VAL 448 Ca 0.14 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1xsi h VAL 448 Cb 0.01 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1xsi h VAL 448 CO -0.07 0.41 0.25 -0.25 0.02 0.00 0.00 177.57 177.94 1xsi h TRP 449 N 0.68 0.48 0.00 1.57 2.91 -0.94 -2.29 115.95 118.37 1xsi h TRP 449 Ca 0.11 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.11 1xsi h TRP 449 Cb 0.64 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1xsi h TRP 449 CO 0.05 0.29 -0.17 -0.91 -1.03 0.00 0.00 178.44 176.67 1xsi h ASN 450 N 0.52 0.00 -0.50 2.65 2.35 -1.03 -0.10 115.58 119.47 1xsi h ASN 450 Ca 0.15 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1xsi h ASN 450 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1xsi h ASN 450 CO -0.05 0.17 0.15 0.58 -1.65 0.00 0.00 177.43 176.63 1xsi h VAL 451 N 0.00 1.23 -0.43 2.81 2.07 -0.84 -1.81 116.25 119.28 1xsi h VAL 451 Ca -0.00 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1xsi h VAL 451 Cb 0.38 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1xsi h VAL 451 CO 0.02 0.29 0.18 -0.07 0.02 0.00 0.00 177.57 178.01 1xsi h LEU 452 N 0.68 0.59 -1.53 2.57 4.07 -1.00 -1.89 115.31 118.80 1xsi h LEU 452 Ca 0.16 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xsi h LEU 452 Cb 0.29 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1xsi h LEU 452 CO -0.00 0.59 0.27 0.50 -1.08 0.00 0.00 178.44 178.71 1xsi h LYS 453 N 0.55 0.58 0.00 1.13 3.64 -0.97 0.25 116.57 121.75 1xsi h LYS 453 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1xsi h LYS 453 Cb 0.18 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1xsi h LYS 453 CO -0.01 0.41 -0.28 -0.25 -2.27 0.00 0.00 179.45 177.04 1xsi n ASP 454 N -4.45 0.31 0.00 4.20 8.00 -0.69 -3.95 116.55 119.97 1xsi n ASP 454 Ca 0.03 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1xsi n ASP 454 Cb 0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.55 0.00 0.28 -3.53 -2.24 -0.74 -4.81 114.28 101.69 1xsi n THR 455 Ca 0.06 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.01 1xsi n THR 455 Cb 0.35 -0.52 0.76 0.00 -2.10 0.00 0.00 70.33 68.82 1xsi n THR 455 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xsi h VAL 456 N 0.00 0.12 0.00 2.28 -1.51 -1.63 -3.49 116.25 112.02 1xsi h VAL 456 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1xsi h VAL 456 Cb 0.00 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1xsi h VAL 456 CO 0.00 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 1xsi n GLY 457 N -0.22 2.04 0.36 5.19 0.00 0.01 -4.57 105.19 107.99 1xsi n GLY 457 Ca -0.00 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.30 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 1.14 0.00 1.61 4.81 -1.78 0.93 114.58 121.29 1xsi h GLU 458 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1xsi h GLU 458 Cb 0.00 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 1xsi h GLU 458 CO 0.00 0.76 -0.09 0.93 -0.73 0.00 0.00 179.01 179.88 1xsi h GLU 459 N 1.18 0.00 -0.02 1.92 5.08 -1.92 -1.53 114.58 119.29 1xsi h GLU 459 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1xsi h GLU 459 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xsi h GLU 459 CO -0.15 0.09 -0.18 0.39 -1.00 0.00 0.00 179.01 178.17 1xsi n GLU 460 N -3.57 1.47 -2.94 2.33 -0.58 0.28 -3.89 120.64 113.73 1xsi n GLU 460 Ca -0.02 -1.04 -0.40 0.00 -0.42 0.00 0.00 57.16 55.28 1xsi n GLU 460 Cb 0.21 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.56 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 -2.25 3.32 -0.02 0.62 0.00 -0.58 -4.82 121.76 118.04 1xsi s ALA 461 Ca 0.28 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1xsi s ALA 461 Cb 0.20 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.30 1xsi s ALA 461 CO 0.43 -0.02 0.48 0.54 0.00 0.00 0.00 175.76 177.19 1xsi s VAL 462 N 0.28 0.03 0.40 0.00 0.11 -1.26 -4.43 120.40 115.53 1xsi s VAL 462 Ca 0.41 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1xsi s VAL 462 Cb -0.20 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1xsi s VAL 462 CO 0.23 -0.15 0.08 -0.76 -3.33 0.00 0.00 175.10 171.17 1xsi s LEU 463 N -1.32 2.16 -0.36 2.54 1.43 0.33 -3.97 118.68 119.49 1xsi s LEU 463 Ca -0.12 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.44 1xsi s LEU 463 Cb -0.03 -0.35 0.11 0.00 0.03 0.00 0.00 46.19 45.96 1xsi s LEU 463 CO 0.06 -0.78 0.15 0.12 0.23 0.00 0.00 176.35 176.13 1xsi s PHE 464 N -3.16 1.84 -0.11 0.29 5.36 -0.42 -0.29 117.98 121.50 1xsi s PHE 464 Ca 0.26 -2.02 -0.02 0.00 -0.96 0.00 0.00 56.93 54.20 1xsi s PHE 464 Cb 0.05 -1.79 -0.03 0.00 -0.34 0.00 0.00 43.02 40.91 1xsi s PHE 464 CO 0.13 -0.85 -0.05 0.00 -1.46 0.00 0.00 175.22 173.00 1xsi s ALA 465 N 1.15 3.03 -0.08 11.12 0.00 -0.32 -0.85 121.76 135.82 1xsi s ALA 465 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1xsi s ALA 465 Cb -0.20 -1.41 -0.25 0.00 0.00 0.00 0.00 23.12 21.26 1xsi s ALA 465 CO -0.15 0.42 0.54 -0.09 0.00 0.00 0.00 175.76 176.48 1xsi h ARG 466 N 5.86 0.18 -5.91 0.00 2.43 -1.67 -1.43 114.38 113.83 1xsi h ARG 466 Ca -0.41 -0.30 -0.62 0.00 -0.81 0.00 0.00 59.98 57.83 1xsi h ARG 466 Cb 1.18 0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.71 1xsi h ARG 466 CO 0.57 0.96 -0.67 -1.54 -1.51 0.00 0.00 179.97 177.78 1xsi s SER 467 N -6.72 3.77 0.30 -3.80 1.04 -1.26 -4.50 113.70 102.53 1xsi s SER 467 Ca -0.14 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 54.95 1xsi s SER 467 Cb 0.07 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1xsi s SER 467 CO 0.80 -0.23 0.58 0.00 0.98 0.00 0.00 173.24 175.37 1xsi s ALA 468 N -2.62 -0.32 0.27 5.32 0.00 -1.24 -4.88 121.76 118.29 1xsi s ALA 468 Ca 0.33 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 1xsi s ALA 468 Cb 0.03 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.15 1xsi s ALA 468 CO 0.17 -0.90 0.74 0.45 0.00 0.00 0.00 175.76 176.22 1xsi s SER 469 N -3.05 -0.25 -0.01 0.00 0.15 -1.26 -3.94 113.70 105.33 1xsi s SER 469 Ca 0.21 -0.59 -0.37 0.00 0.70 0.00 0.00 55.95 55.89 1xsi s SER 469 Cb -0.02 0.71 -0.16 0.00 -1.71 0.00 0.00 66.02 64.84 1xsi s SER 469 CO 0.11 -1.31 1.52 0.52 1.20 0.00 0.00 173.24 175.28 1xsi n VAL 470 N -0.46 0.12 0.00 4.45 0.31 -1.26 -1.29 118.33 120.20 1xsi n VAL 470 Ca -0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1xsi n VAL 470 Cb 0.59 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 3.22 2.01 0.00 2.92 0.00 -1.26 -4.63 105.19 107.45 1xsi n GLY 471 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.89 2.05 0.25 4.61 0.00 -0.41 -2.36 120.51 122.76 1xsi n ALA 472 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1xsi n ALA 472 Cb 0.00 -1.34 0.73 0.00 0.00 0.00 0.00 19.45 18.83 1xsi n ALA 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xsi h GLN 473 N 0.00 0.00 0.00 0.00 -0.00 -1.90 -1.01 115.11 112.21 1xsi h GLN 473 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xsi h GLN 473 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 1xsi h GLN 473 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 178.83 179.70 1xsi h LYS 474 N 0.00 0.00 -2.35 0.06 1.57 -1.60 -3.33 116.57 110.93 1xsi h LYS 474 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1xsi h LYS 474 Cb 0.09 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.03 1xsi h LYS 474 CO 0.00 0.00 -0.16 1.19 -0.57 0.00 0.00 179.45 179.91 1xsi n PHE 475 N -2.41 3.43 -1.68 -1.35 3.72 -0.38 -3.45 117.46 115.33 1xsi n PHE 475 Ca 0.03 -3.63 -0.30 0.00 -0.05 0.00 0.00 57.45 53.49 1xsi n PHE 475 Cb 0.29 -0.74 0.08 0.00 -0.94 0.00 0.00 39.48 38.17 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 -3.08 2.32 0.40 -1.08 0.04 -1.26 -4.66 135.00 127.69 1xsi s PRO 476 Ca 0.41 0.55 0.08 0.00 0.04 0.00 0.00 61.00 62.08 1xsi s PRO 476 Cb 0.18 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1xsi s PRO 476 CO -0.04 -1.43 0.27 0.14 0.04 0.00 0.00 177.00 175.97 1xsi s VAL 477 N -3.25 2.59 0.03 -0.36 -7.23 0.61 -0.51 120.40 112.28 1xsi s VAL 477 Ca 0.60 -1.53 0.08 0.00 -1.81 0.00 0.00 61.98 59.32 1xsi s VAL 477 Cb -0.13 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 1xsi s VAL 477 CO 0.53 -0.03 -0.22 -1.00 -0.31 0.00 0.00 175.10 174.07 1xsi s HIS 478 N -2.51 2.45 0.06 2.82 3.76 -1.21 -1.17 115.29 119.48 1xsi s HIS 478 Ca 0.44 -0.33 0.10 0.00 -0.15 0.00 0.00 55.06 55.11 1xsi s HIS 478 Cb -0.00 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.21 1xsi s HIS 478 CO 0.25 0.16 -0.26 1.67 -0.85 0.00 0.00 174.74 175.71 1xsi s TRP 479 N -0.82 2.29 -2.00 1.40 -2.14 -0.54 -0.66 118.94 116.47 1xsi s TRP 479 Ca 0.13 -0.40 0.06 0.00 2.66 0.00 0.00 56.10 58.54 1xsi s TRP 479 Cb -0.10 -1.34 0.33 0.00 -3.10 0.00 0.00 33.47 29.26 1xsi s TRP 479 CO 0.03 0.17 0.72 0.41 -2.66 0.00 0.00 176.95 175.62 1xsi n GLY 480 N 1.58 -0.25 5.98 3.67 0.00 -0.57 -4.63 105.19 110.96 1xsi n GLY 480 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.42 -1.42 3.50 -0.02 0.00 -1.26 -4.72 105.19 100.86 1xsi n GLY 481 Ca 0.04 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1xsi n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsi s ASP 482 N -4.00 6.85 0.57 1.61 1.01 -1.26 -4.68 116.67 116.77 1xsi s ASP 482 Ca 0.00 -2.48 -0.05 0.00 0.71 0.00 0.00 52.55 50.73 1xsi s ASP 482 Cb 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1xsi s ASP 482 CO 0.00 -1.00 0.87 0.00 0.21 0.00 0.00 175.17 175.25 1xsi s TYR 484 N -2.92 3.43 -1.51 0.00 2.02 -1.26 -1.08 117.35 116.02 1xsi s TYR 484 Ca 0.53 0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 57.22 1xsi s TYR 484 Cb -0.10 -1.65 -0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1xsi s TYR 484 CO 0.45 0.52 2.55 0.00 -1.57 0.00 0.00 175.55 177.50 1xsi n ALA 485 N -0.40 6.56 -2.84 3.71 0.00 -0.66 -4.39 120.51 122.49 1xsi n ALA 485 Ca -0.07 -3.77 -0.10 0.00 0.00 0.00 0.00 53.44 49.51 1xsi n ALA 485 Cb 0.54 -3.37 -0.06 0.00 0.00 0.00 0.00 19.45 16.55 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 2.35 -0.02 0.22 0.00 2.20 -1.26 -4.36 114.94 114.07 1xsi s ASN 486 Ca 0.57 -0.81 -0.08 0.00 -0.94 0.00 0.00 52.86 51.61 1xsi s ASN 486 Cb 0.16 0.47 0.19 0.00 -2.00 0.00 0.00 41.25 40.06 1xsi s ASN 486 CO -0.07 -0.93 1.83 1.88 -2.94 0.00 0.00 177.10 176.87 1xsi h TYR 487 N 2.47 1.20 -0.78 1.54 0.05 -1.91 -0.07 116.97 119.47 1xsi h TYR 487 Ca -0.31 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.45 1xsi h TYR 487 Cb 1.24 -0.38 -0.04 0.00 1.01 0.00 0.00 36.73 38.55 1xsi h TYR 487 CO 0.39 0.85 0.51 0.93 -1.05 0.00 0.00 178.16 179.78 1xsi h GLU 488 N 1.21 0.98 -0.08 4.88 3.07 -1.94 -0.11 114.58 122.59 1xsi h GLU 488 Ca 0.30 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.96 1xsi h GLU 488 Cb 0.06 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1xsi h GLU 488 CO -0.04 0.65 -0.56 1.03 -1.40 0.00 0.00 179.01 178.68 1xsi h SER 489 N 1.01 0.27 -0.47 1.42 0.87 -1.74 -0.69 113.55 114.22 1xsi h SER 489 Ca 0.30 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1xsi h SER 489 Cb -0.06 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1xsi h SER 489 CO -0.09 0.77 0.30 -0.03 -0.53 0.00 0.00 176.83 177.25 1xsi h MET 490 N 0.18 0.58 -0.05 2.24 -1.53 -0.49 -1.23 114.93 114.63 1xsi h MET 490 Ca -0.00 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.22 1xsi h MET 490 Cb 1.04 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.96 1xsi h MET 490 CO 0.09 0.39 0.02 0.00 0.14 0.00 0.00 176.91 177.54 1xsi h ALA 491 N 1.19 0.06 -0.70 0.39 0.00 -0.93 -2.49 119.26 116.79 1xsi h ALA 491 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xsi h ALA 491 Cb -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1xsi h ALA 491 CO -0.06 -0.36 0.47 1.05 0.00 0.00 0.00 179.25 180.35 1xsi h GLU 492 N -0.08 0.91 -0.22 0.00 4.11 -1.07 -1.57 114.58 116.66 1xsi h GLU 492 Ca 0.02 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.40 1xsi h GLU 492 Cb 0.16 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1xsi h GLU 492 CO -0.00 0.60 0.12 0.77 0.07 0.00 0.00 179.01 180.57 1xsi h SER 493 N 0.93 0.20 -0.74 3.06 0.02 -1.08 -2.52 113.55 113.41 1xsi h SER 493 Ca 0.26 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.29 1xsi h SER 493 Cb -0.08 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 1xsi h SER 493 CO -0.06 0.15 0.42 0.25 -1.14 0.00 0.00 176.83 176.44 1xsi h LEU 494 N 0.26 0.61 -0.93 5.07 5.85 -0.94 -0.50 115.31 124.73 1xsi h LEU 494 Ca 0.09 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1xsi h LEU 494 Cb 0.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1xsi h LEU 494 CO -0.05 0.37 0.59 0.03 -0.34 0.00 0.00 178.44 179.04 1xsi h ARG 495 N 0.74 1.04 -0.46 1.25 3.08 -1.14 0.34 114.38 119.23 1xsi h ARG 495 Ca 0.34 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1xsi h ARG 495 Cb 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1xsi h ARG 495 CO -0.21 0.69 0.29 0.78 -1.07 0.00 0.00 179.97 180.45 1xsi h GLY 496 N 1.07 0.66 0.94 0.04 0.00 -0.71 -1.64 103.07 103.43 1xsi h GLY 496 Ca 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1xsi h GLY 496 CO -0.17 0.25 0.16 -1.33 0.00 0.00 0.00 176.54 175.45 1xsi h GLY 497 N 0.62 0.49 0.94 4.60 0.00 -0.73 0.37 103.07 109.36 1xsi h GLY 497 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1xsi h GLY 497 CO -0.03 0.23 0.26 1.41 0.00 0.00 0.00 176.54 178.41 1xsi h LEU 498 N 0.38 0.43 -0.74 3.11 3.38 -0.92 -2.77 115.31 118.19 1xsi h LEU 498 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xsi h LEU 498 Cb 0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1xsi h LEU 498 CO -0.01 0.31 0.42 0.28 0.09 0.00 0.00 178.44 179.52 1xsi h SER 499 N 0.53 0.92 0.71 -0.43 0.02 -0.97 -2.07 113.55 112.25 1xsi h SER 499 Ca 0.16 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1xsi h SER 499 Cb -0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1xsi h SER 499 CO -0.06 0.74 -0.34 -0.29 -1.14 0.00 0.00 176.83 175.74 1xsi h ILE 500 N 1.02 0.88 0.00 3.27 2.10 -0.73 -1.72 117.51 122.33 1xsi h ILE 500 Ca 0.26 -1.35 -0.19 0.00 1.08 0.00 0.00 64.86 64.67 1xsi h ILE 500 Cb 0.02 1.81 -0.03 0.00 -1.09 0.00 0.00 36.82 37.53 1xsi h ILE 500 CO -0.04 0.33 -0.91 1.23 -1.08 0.00 0.00 178.15 177.67 1xsi h GLY 501 N 1.77 0.00 1.84 8.18 0.00 -1.15 -2.10 103.07 111.61 1xsi h GLY 501 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xsi h GLY 501 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1xsi n LEU 502 N -3.31 0.00 -0.83 3.11 4.77 -0.83 -2.74 117.00 117.16 1xsi n LEU 502 Ca -0.00 0.42 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1xsi n LEU 502 Cb 0.90 -0.42 0.20 0.00 -2.33 0.00 0.00 43.42 41.77 1xsi n LEU 502 CO 0.46 -0.15 0.67 -1.20 -1.33 0.00 0.00 177.39 175.84 1xsi n SER 503 N -1.42 3.32 0.00 -1.43 7.64 -0.70 -4.63 113.62 116.39 1xsi n SER 503 Ca 0.06 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1xsi n SER 503 Cb 0.20 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.58 0.71 3.79 0.23 0.00 -1.11 -4.91 105.19 104.48 1xsi n GLY 504 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.51 -0.16 1.61 0.08 -0.83 -4.70 117.98 115.48 1xsi s PHE 505 Ca 0.00 0.50 0.18 0.00 0.12 0.00 0.00 56.93 57.74 1xsi s PHE 505 Cb 0.00 -2.13 -0.08 0.00 -0.57 0.00 0.00 43.02 40.24 1xsi s PHE 505 CO 0.00 0.46 0.93 0.78 -0.10 0.00 0.00 175.22 177.29 1xsi h GLY 506 N 5.93 0.00 -5.65 4.36 0.00 -1.87 -3.34 103.07 102.50 1xsi h GLY 506 Ca -0.47 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.65 1xsi h GLY 506 CO 0.69 0.00 -0.62 -1.36 0.00 0.00 0.00 176.54 175.24 1xsi s PHE 507 N -3.06 -0.10 -0.23 5.60 0.08 -1.26 -2.14 117.98 116.87 1xsi s PHE 507 Ca -0.02 0.26 -0.18 0.00 0.12 0.00 0.00 56.93 57.12 1xsi s PHE 507 Cb 0.09 0.00 0.06 0.00 -0.57 0.00 0.00 43.02 42.60 1xsi s PHE 507 CO 0.80 -0.07 0.59 -0.46 -0.10 0.00 0.00 175.22 175.99 1xsi s TRP 508 N 0.26 -0.76 0.40 0.36 -0.00 -1.26 -3.32 118.94 114.63 1xsi s TRP 508 Ca -0.02 1.69 0.01 0.00 -0.00 0.00 0.00 56.10 57.79 1xsi s TRP 508 Cb -0.03 0.34 -0.00 0.00 -0.00 0.00 0.00 33.47 33.78 1xsi s TRP 508 CO -0.01 -0.38 0.05 0.45 -0.00 0.00 0.00 176.95 177.06 1xsi n SER 509 N 3.42 2.47 -3.50 5.86 2.88 0.17 -3.46 113.62 121.46 1xsi n SER 509 Ca -0.17 -2.89 -0.11 0.00 -1.33 0.00 0.00 58.87 54.37 1xsi n SER 509 Cb 0.57 0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 64.51 1xsi n SER 509 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1xsi s HIS 510 N -2.67 -0.45 -0.39 0.66 -3.43 -1.26 -1.52 115.29 106.24 1xsi s HIS 510 Ca 0.06 0.45 -0.29 0.00 -0.80 0.00 0.00 55.06 54.49 1xsi s HIS 510 Cb 0.00 0.51 -0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1xsi s HIS 510 CO 0.05 -0.60 1.55 -0.51 -2.00 0.00 0.00 174.74 173.23 1xsi s ASP 511 N -2.12 6.16 0.19 7.38 -0.00 -1.26 -4.13 116.67 122.90 1xsi s ASP 511 Ca 0.00 0.98 -0.31 0.00 -0.00 0.00 0.00 52.55 53.23 1xsi s ASP 511 Cb -0.01 -2.53 -0.09 0.00 -0.00 0.00 0.00 42.92 40.28 1xsi s ASP 511 CO -0.05 -1.55 1.44 -0.63 -0.00 0.00 0.00 175.17 174.38 1xsi s ILE 512 N 5.99 2.87 0.00 0.77 1.01 0.36 -1.58 121.20 130.62 1xsi s ILE 512 Ca 0.68 0.68 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1xsi s ILE 512 Cb -0.17 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1xsi s ILE 512 CO 0.33 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1xsi n GLY 513 N 2.87 0.86 0.10 6.18 0.00 -1.26 -4.14 105.19 109.80 1xsi n GLY 513 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.21 -2.77 0.03 -0.02 0.00 -0.61 -4.33 105.19 95.28 1xsi n GLY 514 Ca 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.05 0.00 -3.54 1.61 3.04 -1.49 -3.41 116.94 113.11 1xsi h PHE 515 Ca -0.01 0.00 -0.52 0.00 3.98 0.00 0.00 57.97 61.42 1xsi h PHE 515 Cb 0.08 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1xsi h PHE 515 CO 0.00 0.00 0.25 -1.21 -2.02 0.00 0.00 178.31 175.33 1xsi s GLU 516 N -1.43 4.63 0.00 1.11 0.41 -0.24 -0.48 118.70 122.69 1xsi s GLU 516 Ca -0.04 1.26 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 1xsi s GLU 516 Cb 0.01 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.03 1xsi s GLU 516 CO 0.06 0.38 0.00 0.09 -0.49 0.00 0.00 175.26 175.30 1xsi n ASN 517 N 2.27 0.00 -4.50 -0.19 5.03 -1.26 -1.66 115.26 114.95 1xsi n ASN 517 Ca -0.02 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.06 1xsi n ASN 517 Cb 0.49 0.00 -0.12 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 -2.95 4.73 0.45 3.41 2.01 -1.26 -4.61 115.64 117.41 1xsi s THR 518 Ca 0.00 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.70 1xsi s THR 518 Cb 0.00 -3.24 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 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 1.67 3.15 0.85 7.40 0.00 -1.26 -4.99 121.76 128.58 1xsi s ALA 519 Ca 0.07 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 1xsi s ALA 519 Cb -0.16 -3.51 0.11 0.00 0.00 0.00 0.00 23.12 19.56 1xsi s ALA 519 CO 0.07 -0.98 1.18 -1.25 0.00 0.00 0.00 175.76 174.77 1xsi s PRO 520 N -2.45 1.37 0.19 0.00 0.04 -1.26 -4.82 135.00 128.06 1xsi s PRO 520 Ca 0.61 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 1xsi s PRO 520 Cb -0.39 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.59 1xsi s PRO 520 CO 0.49 -2.40 1.65 0.00 0.04 0.00 0.00 177.00 176.78 1xsi h ALA 521 N -1.35 0.39 -0.72 8.56 0.00 -1.96 -2.08 119.26 122.11 1xsi h ALA 521 Ca -0.45 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xsi h ALA 521 Cb 1.28 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1xsi h ALA 521 CO 0.44 -0.43 0.46 1.12 0.00 0.00 0.00 179.25 180.84 1xsi h HIS 522 N 0.02 0.92 -0.52 0.00 2.07 -1.97 -0.29 115.15 115.39 1xsi h HIS 522 Ca 0.26 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.75 1xsi h HIS 522 Cb 0.41 -0.31 -0.02 0.00 2.57 0.00 0.00 27.41 30.06 1xsi h HIS 522 CO -0.43 0.60 0.15 0.28 -3.07 0.00 0.00 177.93 175.47 1xsi h VAL 523 N 0.98 1.23 -0.43 6.12 2.07 -1.84 -1.61 116.25 122.77 1xsi h VAL 523 Ca 0.26 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1xsi h VAL 523 Cb -0.08 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1xsi h VAL 523 CO -0.05 0.29 0.21 0.22 0.02 0.00 0.00 177.57 178.26 1xsi h TYR 524 N 0.71 0.39 -0.20 1.57 3.20 -0.75 -1.50 116.97 120.39 1xsi h TYR 524 Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1xsi h TYR 524 Cb 0.29 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1xsi h TYR 524 CO 0.02 0.20 0.10 0.87 -1.64 0.00 0.00 178.16 177.70 1xsi h LYS 525 N 0.43 0.29 -0.57 1.82 1.57 -0.87 0.59 116.57 119.83 1xsi h LYS 525 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1xsi h LYS 525 Cb 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1xsi h LYS 525 CO -0.13 0.32 0.14 0.00 -0.57 0.00 0.00 179.45 179.20 1xsi h ARG 526 N 0.20 0.88 -0.25 3.15 2.47 -1.18 -2.90 114.38 116.75 1xsi h ARG 526 Ca 0.07 -0.19 -0.13 0.00 -1.26 0.00 0.00 59.98 58.47 1xsi h ARG 526 Cb 0.12 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1xsi h ARG 526 CO -0.01 0.79 -0.39 2.35 0.56 0.00 0.00 179.97 183.27 1xsi h TRP 527 N 0.85 0.68 -0.63 3.04 2.91 -0.71 -2.71 115.95 119.38 1xsi h TRP 527 Ca 0.18 -0.19 0.08 0.00 1.13 0.00 0.00 58.89 60.09 1xsi h TRP 527 Cb 0.31 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 28.75 1xsi h TRP 527 CO 0.02 0.88 0.29 0.00 -1.03 0.00 0.00 178.44 178.60 1xsi h ALA 529 N 1.39 0.82 -0.06 0.00 0.00 -1.42 -1.75 119.26 118.24 1xsi h ALA 529 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xsi h ALA 529 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xsi h ALA 529 CO -0.25 0.40 0.03 0.35 0.00 0.00 0.00 179.25 179.77 1xsi h PHE 530 N 0.88 0.09 -0.58 0.00 3.57 -1.09 -2.79 116.94 117.00 1xsi h PHE 530 Ca 0.22 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1xsi h PHE 530 Cb 0.15 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1xsi h PHE 530 CO 0.00 0.20 0.39 0.78 -2.23 0.00 0.00 178.31 177.45 1xsi h GLY 531 N -0.05 0.81 1.40 2.40 0.00 -0.25 -2.80 103.07 104.57 1xsi h GLY 531 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1xsi h GLY 531 CO -0.00 0.29 -0.31 1.04 0.00 0.00 0.00 176.54 177.56 1xsi n LEU 532 N -4.45 0.32 -1.66 3.11 7.99 -0.67 -2.64 117.00 119.00 1xsi n LEU 532 Ca 0.06 0.20 -0.14 0.00 -0.01 0.00 0.00 56.01 56.12 1xsi n LEU 532 Cb 0.06 -0.34 0.18 0.00 -0.11 0.00 0.00 43.42 43.20 1xsi n LEU 532 CO 0.36 0.07 0.94 0.18 -1.51 0.00 0.00 177.39 177.42 1xsi n LEU 533 N -1.53 5.34 -4.55 2.23 7.99 -1.06 -4.69 117.00 120.73 1xsi n LEU 533 Ca 0.06 -3.79 -0.26 0.00 -0.01 0.00 0.00 56.01 52.01 1xsi n LEU 533 Cb 0.34 -0.72 -0.10 0.00 -0.11 0.00 0.00 43.42 42.83 1xsi n LEU 533 CO 0.32 1.24 -0.38 -0.44 -1.51 0.00 0.00 177.39 176.61 1xsi s SER 534 N -2.09 3.75 0.22 -1.43 0.01 -1.08 -4.98 113.70 108.11 1xsi s SER 534 Ca 0.51 -1.19 -0.08 0.00 1.31 0.00 0.00 55.95 56.50 1xsi s SER 534 Cb 0.44 -0.36 0.27 0.00 0.21 0.00 0.00 66.02 66.58 1xsi s SER 534 CO 0.04 -0.20 1.84 0.77 0.41 0.00 0.00 173.24 176.10 1xsi h SER 535 N 2.02 0.76 -3.49 2.44 4.64 -1.87 -3.41 113.55 114.63 1xsi h SER 535 Ca -0.42 0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.43 1xsi h SER 535 Cb 1.25 -0.15 -0.33 0.00 -0.31 0.00 0.00 62.40 62.86 1xsi h SER 535 CO 0.70 0.50 -0.80 -1.00 -0.87 0.00 0.00 176.83 175.36 1xsi s HIS 536 N -6.09 1.25 -0.26 4.77 3.76 -1.22 -4.72 115.29 112.78 1xsi s HIS 536 Ca -0.13 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1xsi s HIS 536 Cb 0.17 -0.94 0.05 0.00 1.11 0.00 0.00 32.58 32.98 1xsi s HIS 536 CO 0.78 -0.23 -0.10 -1.12 -0.85 0.00 0.00 174.74 173.22 1xsi s SER 537 N 0.63 4.42 -0.07 1.40 0.01 -1.26 -4.26 113.70 114.58 1xsi s SER 537 Ca -0.12 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 55.84 1xsi s SER 537 Cb -0.15 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.53 1xsi s SER 537 CO 0.03 -0.19 -0.09 -0.60 0.41 0.00 0.00 173.24 172.80 1xsi s ARG 538 N 1.14 1.39 -0.51 12.44 3.52 -1.26 -0.82 118.95 134.86 1xsi s ARG 538 Ca -0.07 -0.28 -0.25 0.00 -0.13 0.00 0.00 55.73 54.99 1xsi s ARG 538 Cb -0.19 -1.27 0.03 0.00 -1.56 0.00 0.00 34.95 31.96 1xsi s ARG 538 CO -0.05 -0.07 0.96 -0.51 -0.81 0.00 0.00 175.30 174.83 1xsi s LEU 539 N 0.97 3.97 -0.13 -0.88 1.43 0.10 -0.49 118.68 123.65 1xsi s LEU 539 Ca -0.09 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1xsi s LEU 539 Cb -0.15 -3.07 0.04 0.00 0.03 0.00 0.00 46.19 43.04 1xsi s LEU 539 CO 0.00 -1.16 0.42 -2.28 0.23 0.00 0.00 176.35 173.56 1xsi s HIS 540 N 3.97 -0.43 0.10 0.29 2.46 -1.26 -1.84 115.29 118.58 1xsi s HIS 540 Ca 0.36 0.99 -0.03 0.00 0.47 0.00 0.00 55.06 56.84 1xsi s HIS 540 Cb -0.11 0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.48 1xsi s HIS 540 CO 0.24 -0.28 0.08 0.20 -2.47 0.00 0.00 174.74 172.50 1xsi s GLY 541 N -0.15 0.60 -0.10 1.59 0.00 -1.26 -4.32 107.32 103.68 1xsi s GLY 541 Ca -0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1xsi s GLY 541 CO 0.02 -1.19 -0.02 0.23 0.00 0.00 0.00 173.10 172.14 1xsi h SER 542 N 2.91 0.00 -0.00 1.64 0.87 -1.05 -0.34 113.55 117.57 1xsi h SER 542 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1xsi h SER 542 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xsi h SER 542 CO 0.60 0.51 -0.05 0.29 -0.53 0.00 0.00 176.83 177.65 1xsi n LYS 543 N -4.71 2.91 -4.26 2.24 5.02 -1.26 -0.71 118.16 117.39 1xsi n LYS 543 Ca -0.01 -0.31 -0.14 0.00 -2.02 0.00 0.00 58.31 55.83 1xsi n LYS 543 Cb 0.03 -0.82 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.71 1.66 0.60 4.39 1.04 -1.26 -4.63 113.70 114.79 1xsi s SER 544 Ca 0.02 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.26 1xsi s SER 544 Cb 0.02 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1xsi s SER 544 CO 0.06 -0.41 1.01 -0.31 0.98 0.00 0.00 173.24 174.56 1xsi s TYR 545 N -3.42 3.61 -0.64 5.02 2.02 -1.26 -4.36 117.35 118.33 1xsi s TYR 545 Ca 0.19 1.27 0.06 0.00 -0.37 0.00 0.00 57.07 58.23 1xsi s TYR 545 Cb 0.04 -2.69 0.12 0.00 -0.40 0.00 0.00 41.96 39.02 1xsi s TYR 545 CO 0.02 -0.63 0.96 0.54 -1.57 0.00 0.00 175.55 174.87 1xsi n ARG 546 N -2.60 1.63 -1.73 -0.62 5.12 -1.26 -4.92 116.66 112.28 1xsi n ARG 546 Ca 0.06 -1.41 -0.42 0.00 -1.93 0.00 0.00 57.85 54.14 1xsi n ARG 546 Cb 0.54 -1.14 -0.02 0.00 -1.16 0.00 0.00 32.46 30.68 1xsi n ARG 546 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1xsi n VAL 547 N 0.19 0.35 0.28 1.55 0.24 -1.26 -4.90 118.33 114.78 1xsi n VAL 547 Ca 0.05 -0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.39 1xsi n VAL 547 Cb 0.27 -2.00 0.80 0.00 -1.47 0.00 0.00 33.84 31.44 1xsi n VAL 547 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1xsi h PRO 548 N 6.13 0.00 0.00 7.34 0.10 -1.94 0.01 132.00 143.65 1xsi h PRO 548 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.66 1xsi h PRO 548 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1xsi h PRO 548 CO 0.90 0.00 0.00 -2.67 0.10 0.00 0.00 178.00 176.33 1xsi n TRP 549 N -4.14 0.00 0.64 0.65 2.14 -1.26 -2.36 117.44 113.11 1xsi n TRP 549 Ca -0.03 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.64 1xsi n TRP 549 Cb 0.10 -0.37 0.41 0.00 -0.81 0.00 0.00 31.31 30.64 1xsi n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsi n ALA 550 N -1.37 1.87 -0.32 -1.67 0.00 -0.01 -4.26 120.51 114.76 1xsi n ALA 550 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xsi n ALA 550 Cb 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1xsi n ALA 550 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xsi n TYR 551 N -1.56 0.00 -3.84 0.00 4.02 -0.99 -5.10 117.16 109.69 1xsi n TYR 551 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1xsi n TYR 551 Cb 0.23 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.56 1xsi n TYR 551 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xsi s ASP 552 N -3.07 -0.03 0.21 7.72 1.47 -1.17 -4.92 116.67 116.87 1xsi s ASP 552 Ca 0.00 -0.79 -0.06 0.00 1.18 0.00 0.00 52.55 52.88 1xsi s ASP 552 Cb 0.00 0.62 0.17 0.00 -0.34 0.00 0.00 42.92 43.37 1xsi s ASP 552 CO 0.00 -1.23 1.68 0.44 0.68 0.00 0.00 175.17 176.74 1xsi h ASP 553 N 2.00 0.93 -0.78 2.11 3.32 -1.90 -2.96 116.42 119.14 1xsi h ASP 553 Ca -0.28 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 56.55 1xsi h ASP 553 Cb 1.23 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 1xsi h ASP 553 CO 0.36 1.01 0.51 -0.08 -1.72 0.00 0.00 179.24 179.31 1xsi h GLU 554 N 0.87 0.87 -0.95 3.56 4.81 -1.96 -2.56 114.58 119.20 1xsi h GLU 554 Ca 0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1xsi h GLU 554 Cb 0.56 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 1xsi h GLU 554 CO 0.03 0.57 0.60 0.77 -0.73 0.00 0.00 179.01 180.26 1xsi h SER 555 N 0.89 1.12 -0.87 1.04 0.02 -1.79 -0.09 113.55 113.88 1xsi h SER 555 Ca 0.32 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1xsi h SER 555 Cb 0.14 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1xsi h SER 555 CO -0.10 0.84 0.56 0.00 -1.14 0.00 0.00 176.83 176.99 1xsi h ASP 557 N 1.19 0.50 -0.12 0.00 3.32 -0.98 -1.04 116.42 119.29 1xsi h ASP 557 Ca 0.32 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 1xsi h ASP 557 Cb -0.10 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1xsi h ASP 557 CO -0.06 0.71 -0.24 0.58 -1.72 0.00 0.00 179.24 178.50 1xsi h VAL 558 N 0.46 1.38 -0.20 -1.35 2.07 -0.63 -0.37 116.25 117.61 1xsi h VAL 558 Ca 0.08 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.10 1xsi h VAL 558 Cb 0.59 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1xsi h VAL 558 CO 0.04 0.44 0.08 0.58 0.02 0.00 0.00 177.57 178.73 1xsi h VAL 559 N -0.04 0.98 0.35 2.57 2.07 -0.96 -1.92 116.25 119.30 1xsi h VAL 559 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xsi h VAL 559 Cb 0.83 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1xsi h VAL 559 CO 0.05 0.03 -0.33 -0.09 0.02 0.00 0.00 177.57 177.25 1xsi h ARG 560 N 0.19 -0.68 -0.40 1.57 2.43 -1.14 0.04 114.38 116.39 1xsi h ARG 560 Ca 0.08 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1xsi h ARG 560 Cb 0.03 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 1xsi h ARG 560 CO -0.07 -0.45 -0.08 0.35 -1.51 0.00 0.00 179.97 178.21 1xsi h PHE 561 N -0.71 -0.18 -0.00 2.20 3.04 -1.00 -0.91 116.94 119.38 1xsi h PHE 561 Ca -0.02 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.76 1xsi h PHE 561 Cb 0.63 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1xsi h PHE 561 CO -0.19 -0.16 -0.87 0.74 -2.02 0.00 0.00 178.31 175.82 1xsi h PHE 562 N 0.02 0.31 0.14 0.41 0.04 -1.24 -1.27 116.94 115.36 1xsi h PHE 562 Ca 0.19 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1xsi h PHE 562 Cb 0.29 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1xsi h PHE 562 CO -0.34 0.98 -0.07 1.15 -0.60 0.00 0.00 178.31 179.43 1xsi h THR 563 N 0.12 0.94 -0.50 -1.55 2.02 -0.81 -0.64 112.91 112.50 1xsi h THR 563 Ca -0.04 -0.32 0.10 0.00 0.77 0.00 0.00 66.41 66.92 1xsi h THR 563 Cb 1.49 1.14 -0.10 0.00 -1.74 0.00 0.00 68.15 68.95 1xsi h THR 563 CO 0.13 0.08 -0.19 1.56 0.37 0.00 0.00 175.52 177.47 1xsi h GLN 564 N -0.34 -0.08 -0.45 6.66 4.20 -1.16 -1.48 115.11 122.47 1xsi h GLN 564 Ca -0.02 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1xsi h GLN 564 Cb 0.27 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 1xsi h GLN 564 CO 0.03 -0.05 0.23 1.25 -0.67 0.00 0.00 178.83 179.62 1xsi h LEU 565 N -0.08 0.34 -0.49 1.46 5.85 -1.05 -0.68 115.31 120.66 1xsi h LEU 565 Ca 0.24 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1xsi h LEU 565 Cb 0.44 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1xsi h LEU 565 CO -0.55 0.24 0.30 0.50 -0.34 0.00 0.00 178.44 178.59 1xsi h LYS 566 N 0.46 0.59 -0.81 1.25 3.64 -0.54 -0.66 116.57 120.50 1xsi h LYS 566 Ca 0.20 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1xsi h LYS 566 Cb 0.10 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1xsi h LYS 566 CO -0.13 0.39 0.36 0.00 -2.27 0.00 0.00 179.45 177.80 1xsi h ARG 568 N 1.16 0.09 -0.00 0.00 3.08 -0.73 -2.78 114.38 115.20 1xsi h ARG 568 Ca 0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1xsi h ARG 568 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1xsi h ARG 568 CO -0.03 0.24 -0.03 -1.33 -1.07 0.00 0.00 179.97 177.76 1xsi n MET 569 N -4.32 0.26 -0.32 0.04 2.81 -0.29 -0.46 117.12 114.84 1xsi n MET 569 Ca -0.02 -0.02 0.08 0.00 -1.81 0.00 0.00 57.70 55.94 1xsi n MET 569 Cb 0.24 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.54 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 0.04 0.87 -0.80 0.03 2.86 -1.19 0.76 114.93 117.51 1xsi h MET 570 Ca 0.00 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1xsi h MET 570 Cb 0.39 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1xsi h MET 570 CO 0.00 0.58 0.47 -1.35 1.06 0.00 0.00 176.91 177.67 1xsi h PRO 571 N 0.90 0.82 0.23 -0.22 0.11 -1.76 0.28 132.00 132.35 1xsi h PRO 571 Ca 0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.51 1xsi h PRO 571 Cb 0.52 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1xsi h PRO 571 CO -0.23 0.54 -0.11 -0.92 -0.21 0.00 0.00 178.00 177.07 1xsi h TYR 572 N 0.84 -0.29 -0.86 0.65 3.20 -1.13 -3.26 116.97 116.12 1xsi h TYR 572 Ca 0.36 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.30 1xsi h TYR 572 Cb 0.23 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1xsi h TYR 572 CO -0.05 0.08 0.52 -0.07 -1.64 0.00 0.00 178.16 177.00 1xsi h LEU 573 N -0.75 0.80 -0.82 2.82 4.07 -0.66 -2.37 115.31 118.40 1xsi h LEU 573 Ca -0.03 0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.83 1xsi h LEU 573 Cb 0.50 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1xsi h LEU 573 CO 0.05 0.49 -0.58 0.22 -1.08 0.00 0.00 178.44 177.54 1xsi h TYR 574 N 0.92 0.05 -0.51 1.13 3.20 -0.58 -0.90 116.97 120.28 1xsi h TYR 574 Ca 0.39 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.18 1xsi h TYR 574 Cb 0.26 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1xsi h TYR 574 CO -0.04 0.61 0.04 -0.09 -1.64 0.00 0.00 178.16 177.04 1xsi h ARG 575 N 0.03 0.83 -0.01 1.82 9.65 -1.50 -2.08 114.38 123.12 1xsi h ARG 575 Ca -0.01 -0.21 -0.14 0.00 -1.10 0.00 0.00 59.98 58.53 1xsi h ARG 575 Cb 1.03 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.49 1xsi h ARG 575 CO 0.08 0.81 -0.63 0.93 2.80 0.00 0.00 179.97 183.96 1xsi h GLU 576 N 0.78 0.03 -0.50 0.20 4.39 -0.89 -2.81 114.58 115.78 1xsi h GLU 576 Ca 0.16 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1xsi h GLU 576 Cb 0.42 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1xsi h GLU 576 CO 0.01 0.65 -0.03 0.00 -1.16 0.00 0.00 179.01 178.48 1xsi h ALA 577 N 1.34 1.01 -0.14 3.43 0.00 -1.00 -2.67 119.26 121.22 1xsi h ALA 577 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1xsi h ALA 577 Cb 1.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xsi h ALA 577 CO 0.08 0.61 -0.09 0.00 0.00 0.00 0.00 179.25 179.85 1xsi h ALA 578 N 1.17 1.59 -0.29 0.00 0.00 -1.13 -1.67 119.26 118.93 1xsi h ALA 578 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xsi h ALA 578 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xsi h ALA 578 CO 0.03 0.30 -0.01 0.00 0.00 0.00 0.00 179.25 179.57 1xsi h ARG 579 N 0.21 0.44 -0.21 0.00 3.08 -1.27 -0.43 114.38 116.20 1xsi h ARG 579 Ca 0.05 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xsi h ARG 579 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1xsi h ARG 579 CO 0.02 0.48 0.10 0.00 -1.07 0.00 0.00 179.97 179.49 1xsi h ALA 580 N 1.57 0.27 -0.63 0.04 0.00 -1.13 -0.97 119.26 118.41 1xsi h ALA 580 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xsi h ALA 580 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xsi h ALA 580 CO 0.01 -0.17 0.28 -0.97 0.00 0.00 0.00 179.25 178.39 1xsi h ASN 581 N 0.21 0.82 0.43 0.00 -0.73 -1.20 0.83 115.58 115.94 1xsi h ASN 581 Ca 0.07 -0.10 -0.24 0.00 1.87 0.00 0.00 56.30 57.91 1xsi h ASN 581 Cb 0.11 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.45 1xsi h ASN 581 CO -0.01 0.72 -1.76 0.00 -0.37 0.00 0.00 177.43 176.01 1xsi n ALA 582 N -2.45 1.76 -0.44 1.57 0.00 -0.20 -4.48 120.51 116.27 1xsi n ALA 582 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1xsi n ALA 582 Cb 0.15 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1xsi n ALA 582 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsi n ARG 583 N -2.86 -0.37 -1.99 0.00 1.74 -0.38 -5.01 116.66 107.78 1xsi n ARG 583 Ca -0.17 -0.34 -0.20 0.00 -0.77 0.00 0.00 57.85 56.37 1xsi n ARG 583 Cb 0.96 -0.78 -0.05 0.00 -1.02 0.00 0.00 32.46 31.57 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 -0.02 0.72 3.64 -0.13 0.00 0.28 -3.19 105.19 106.48 1xsi n GLY 584 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.88 4.63 0.62 2.61 2.01 -1.13 -4.79 115.64 116.71 1xsi s THR 585 Ca 0.00 1.71 -0.16 0.00 0.31 0.00 0.00 61.69 63.55 1xsi s THR 585 Cb 0.00 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 1xsi s THR 585 CO 0.00 -0.33 1.11 -2.16 -0.69 0.00 0.00 174.62 172.55 1xsi s PRO 586 N 3.35 3.01 0.19 4.92 0.04 -1.26 -2.82 135.00 142.43 1xsi s PRO 586 Ca 0.42 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1xsi s PRO 586 Cb -0.13 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.54 1xsi s PRO 586 CO 0.12 -1.09 1.78 0.52 0.04 0.00 0.00 177.00 178.36 1xsi h MET 587 N 0.43 0.95 -4.73 4.56 2.86 -1.72 -3.39 114.93 113.90 1xsi h MET 587 Ca -0.48 -0.13 -0.70 0.00 -2.06 0.00 0.00 59.70 56.32 1xsi h MET 587 Cb 1.25 -0.17 -0.20 0.00 0.06 0.00 0.00 31.60 32.54 1xsi h MET 587 CO 0.55 0.75 -0.11 1.41 1.06 0.00 0.00 176.91 180.56 1xsi s MET 588 N -5.73 3.07 -0.09 1.72 -2.45 -1.26 -0.02 119.30 114.54 1xsi s MET 588 Ca -0.13 -1.03 0.01 0.00 -1.25 0.00 0.00 55.69 53.30 1xsi s MET 588 Cb 0.14 -4.09 -0.02 0.00 1.25 0.00 0.00 34.83 32.10 1xsi s MET 588 CO 0.79 -1.11 -0.12 1.03 1.05 0.00 0.00 175.02 176.66 1xsi s ARG 589 N 2.23 2.96 0.60 4.11 0.52 -0.12 -4.76 118.95 124.50 1xsi s ARG 589 Ca 0.11 -0.67 -0.19 0.00 -0.52 0.00 0.00 55.73 54.47 1xsi s ARG 589 Cb -0.21 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1xsi s ARG 589 CO 0.10 0.44 1.06 0.00 0.02 0.00 0.00 175.30 176.91 1xsi n ALA 590 N 2.87 0.46 -0.18 2.13 0.00 -1.26 -1.28 120.51 123.25 1xsi n ALA 590 Ca -0.18 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1xsi n ALA 590 Cb 0.52 -2.17 0.30 0.00 0.00 0.00 0.00 19.45 18.11 1xsi n ALA 590 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xsi h MET 591 N 0.60 0.85 -0.16 0.00 0.00 -1.80 -2.10 114.93 112.33 1xsi h MET 591 Ca -0.49 -0.05 -0.05 0.00 0.00 0.00 0.00 59.70 59.11 1xsi h MET 591 Cb 1.35 -0.19 -0.01 0.00 0.00 0.00 0.00 31.60 32.75 1xsi h MET 591 CO 0.52 0.56 -0.11 0.00 0.00 0.00 0.00 176.91 177.88 1xsi h MET 592 N 0.88 0.24 -0.49 1.72 -0.00 -1.84 0.30 114.93 115.75 1xsi h MET 592 Ca 0.27 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.70 59.88 1xsi h MET 592 Cb 0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.55 1xsi h MET 592 CO -0.07 0.37 0.17 1.98 -0.00 0.00 0.00 176.91 179.36 1xsi h MET 593 N 0.23 0.75 0.00 -0.10 -1.53 -1.74 -2.30 114.93 110.25 1xsi h MET 593 Ca 0.05 -0.15 -0.12 0.00 -3.44 0.00 0.00 59.70 56.03 1xsi h MET 593 Cb 0.35 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 1xsi h MET 593 CO 0.02 0.69 -0.78 1.49 0.14 0.00 0.00 176.91 178.47 1xsi h GLU 594 N 0.65 0.00 -2.07 0.39 4.57 -1.34 -3.39 114.58 113.40 1xsi h GLU 594 Ca 0.16 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.80 1xsi h GLU 594 Cb 0.24 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.43 1xsi h GLU 594 CO -0.01 0.44 -1.01 1.19 -1.18 0.00 0.00 179.01 178.44 1xsi n PHE 595 N -3.12 1.03 0.32 0.92 3.01 0.10 -4.95 117.46 114.78 1xsi n PHE 595 Ca -0.01 -3.81 0.22 0.00 1.01 0.00 0.00 57.45 54.86 1xsi n PHE 595 Cb 0.76 -0.43 1.14 0.00 -0.01 0.00 0.00 39.48 40.95 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 3.44 0.00 -0.21 -1.08 0.13 -1.60 -0.98 132.00 131.68 1xsi h PRO 596 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xsi h PRO 596 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xsi h PRO 596 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 1xsi n ASP 597 N -3.02 3.14 -4.53 1.44 8.00 -1.26 -4.84 116.55 115.47 1xsi n ASP 597 Ca -0.03 -1.97 -0.43 0.00 0.71 0.00 0.00 54.79 53.07 1xsi n ASP 597 Cb 0.09 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1xsi n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsi s ASP 598 N -1.73 6.37 0.61 -2.24 -1.08 -0.38 -4.93 116.67 113.29 1xsi s ASP 598 Ca 0.34 -0.24 0.39 0.00 -0.52 0.00 0.00 52.55 52.52 1xsi s ASP 598 Cb 0.21 -2.37 1.88 0.00 -1.46 0.00 0.00 42.92 41.18 1xsi s ASP 598 CO 0.31 -0.91 2.17 1.55 0.52 0.00 0.00 175.17 178.81 1xsi h PRO 599 N 8.98 0.00 0.00 4.34 0.13 -1.88 -0.94 132.00 142.63 1xsi h PRO 599 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1xsi h PRO 599 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xsi h PRO 599 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 1xsi n ALA 600 N -2.08 2.35 1.02 -0.56 0.00 -1.26 -3.74 120.51 116.24 1xsi n ALA 600 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1xsi n ALA 600 Cb 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.75 0.08 -0.34 0.00 3.32 -1.73 -2.93 116.42 115.57 1xsi h ASP 602 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xsi h ASP 602 Cb 0.57 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1xsi h ASP 602 CO 0.00 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33 1xsi n TYR 603 N -5.10 0.45 -2.14 4.55 4.01 -1.26 -4.87 117.16 112.80 1xsi n TYR 603 Ca 0.11 -0.35 -0.42 0.00 -0.16 0.00 0.00 57.90 57.08 1xsi n TYR 603 Cb 0.37 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.09 4.29 0.00 7.72 1.43 -1.11 -4.83 118.68 125.09 1xsi s LEU 604 Ca 0.28 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1xsi s LEU 604 Cb 0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1xsi s LEU 604 CO 0.21 -0.85 0.08 -0.90 0.23 0.00 0.00 176.35 175.13 1xsi n ASP 605 N 6.63 0.16 -1.08 2.29 3.85 -1.26 -4.49 116.55 122.66 1xsi n ASP 605 Ca 0.16 -0.89 0.10 0.00 -0.71 0.00 0.00 54.79 53.44 1xsi n ASP 605 Cb 0.43 0.02 0.25 0.00 -1.35 0.00 0.00 41.12 40.48 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 -0.02 2.72 -3.75 0.11 1.74 -1.26 -4.42 116.66 111.78 1xsi n ARG 606 Ca 0.00 -2.40 -0.10 0.00 -0.77 0.00 0.00 57.85 54.58 1xsi n ARG 606 Cb 0.18 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 1xsi n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsi s GLN 607 N -1.03 1.16 0.25 5.56 -2.07 -1.26 -4.03 119.66 118.24 1xsi s GLN 607 Ca 0.39 -0.88 -0.17 0.00 -1.82 0.00 0.00 55.36 52.89 1xsi s GLN 607 Cb 0.20 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.59 1xsi s GLN 607 CO 0.27 -0.46 0.58 1.52 -1.32 0.00 0.00 175.29 175.88 1xsi s TYR 608 N -3.86 0.09 -0.11 9.60 -0.85 -0.56 -4.53 117.35 117.12 1xsi s TYR 608 Ca 0.08 -0.48 -0.10 0.00 -0.52 0.00 0.00 57.07 56.05 1xsi s TYR 608 Cb 0.02 0.42 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 1xsi s TYR 608 CO -0.07 -1.08 0.22 -1.64 -1.52 0.00 0.00 175.55 171.46 1xsi s MET 609 N -3.96 3.72 -0.44 -3.49 -1.94 -0.41 -1.35 119.30 111.43 1xsi s MET 609 Ca 0.16 0.01 -0.07 0.00 -1.71 0.00 0.00 55.69 54.08 1xsi s MET 609 Cb -0.03 -3.25 0.11 0.00 2.01 0.00 0.00 34.83 33.68 1xsi s MET 609 CO 0.07 0.65 0.28 -1.17 -0.01 0.00 0.00 175.02 174.84 1xsi s LEU 610 N -0.73 5.46 0.00 -0.03 2.96 0.18 -0.94 118.68 125.59 1xsi s LEU 610 Ca 0.16 -1.92 0.00 0.00 -0.22 0.00 0.00 54.13 52.15 1xsi s LEU 610 Cb -0.13 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.63 1xsi s LEU 610 CO 0.05 -0.62 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 1xsi n GLY 611 N 4.78 -1.67 0.22 7.98 0.00 0.98 -3.71 105.19 113.77 1xsi n GLY 611 Ca -0.06 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.11 0.00 0.00 1.61 3.32 -1.93 -3.37 116.42 115.94 1xsi h ASP 612 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xsi h ASP 612 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xsi h ASP 612 CO 0.00 0.24 -0.36 0.59 -1.72 0.00 0.00 179.24 177.99 1xsi n ASN 613 N -3.67 1.31 -4.15 6.45 3.02 -1.26 -4.97 115.26 111.99 1xsi n ASN 613 Ca -0.01 -0.40 -0.29 0.00 -0.03 0.00 0.00 54.58 53.85 1xsi n ASN 613 Cb 0.36 1.02 -0.17 0.00 -0.61 0.00 0.00 39.78 40.39 1xsi n ASN 613 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xsi s VAL 614 N -1.44 1.71 -0.26 2.41 -7.23 -1.24 -1.59 120.40 112.76 1xsi s VAL 614 Ca 0.00 -0.82 -0.17 0.00 -1.81 0.00 0.00 61.98 59.19 1xsi s VAL 614 Cb 0.01 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 1xsi s VAL 614 CO 0.08 0.48 0.46 -0.32 -0.31 0.00 0.00 175.10 175.49 1xsi s MET 615 N 0.45 4.05 -0.12 4.82 1.75 0.12 -0.64 119.30 129.72 1xsi s MET 615 Ca -0.17 0.21 -0.01 0.00 -1.25 0.00 0.00 55.69 54.47 1xsi s MET 615 Cb -0.17 -3.65 -0.02 0.00 2.84 0.00 0.00 34.83 33.82 1xsi s MET 615 CO 0.07 -0.32 -0.09 0.14 -0.65 0.00 0.00 175.02 174.17 1xsi s VAL 616 N 2.21 3.48 -0.33 10.11 -7.23 -0.46 -1.35 120.40 126.83 1xsi s VAL 616 Ca 0.19 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 1xsi s VAL 616 Cb -0.16 -2.47 0.10 0.00 0.56 0.00 0.00 36.38 34.41 1xsi s VAL 616 CO 0.09 0.53 0.06 0.00 -0.31 0.00 0.00 175.10 175.47 1xsi s ALA 617 N 0.09 2.44 0.82 1.32 0.00 -0.41 -1.50 121.76 124.51 1xsi s ALA 617 Ca -0.03 -2.21 -0.12 0.00 0.00 0.00 0.00 51.96 49.59 1xsi s ALA 617 Cb -0.14 -1.84 0.09 0.00 0.00 0.00 0.00 23.12 21.24 1xsi s ALA 617 CO 0.04 -1.65 1.18 -2.14 0.00 0.00 0.00 175.76 173.18 1xsi s PRO 618 N 1.14 1.57 -0.19 0.00 0.02 -1.26 -3.77 135.00 132.52 1xsi s PRO 618 Ca 0.10 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 62.67 1xsi s PRO 618 Cb -0.18 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 1xsi s PRO 618 CO -0.13 -2.24 0.17 0.08 -0.33 0.00 0.00 177.00 174.54 1xsi s VAL 619 N -2.32 5.39 -0.15 3.83 1.01 -1.26 -4.96 120.40 121.94 1xsi s VAL 619 Ca 0.71 0.27 0.18 0.00 0.00 0.00 0.00 61.98 63.14 1xsi s VAL 619 Cb -0.26 -3.51 0.36 0.00 0.00 0.00 0.00 36.38 32.97 1xsi s VAL 619 CO 0.52 0.43 1.23 0.49 0.00 0.00 0.00 175.10 177.78 1xsi n PHE 620 N 3.49 0.28 -4.18 5.22 3.72 -1.26 -4.83 117.46 119.89 1xsi n PHE 620 Ca -0.15 -0.99 -0.17 0.00 -0.05 0.00 0.00 57.45 56.09 1xsi n PHE 620 Cb 0.52 -0.20 -0.11 0.00 -0.94 0.00 0.00 39.48 38.74 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 -2.88 1.09 0.14 4.37 -4.23 -1.26 -4.91 115.64 107.95 1xsi s THR 621 Ca 0.35 -1.46 -0.13 0.00 -1.18 0.00 0.00 61.69 59.27 1xsi s THR 621 Cb 0.30 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 1xsi s THR 621 CO 0.04 -0.35 1.57 -0.08 -0.54 0.00 0.00 174.62 175.26 1xsi h GLU 622 N 3.96 0.82 0.00 3.99 4.81 -1.94 -2.66 114.58 123.56 1xsi h GLU 622 Ca -0.40 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 1xsi h GLU 622 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1xsi h GLU 622 CO 0.45 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.64 1xsi h ALA 623 N 0.89 1.00 0.00 2.92 0.00 -1.96 -3.47 119.26 118.64 1xsi h ALA 623 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xsi h ALA 623 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xsi h ALA 623 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1xsi n GLY 624 N -0.41 0.68 3.76 0.00 0.00 -1.00 -4.66 105.19 103.56 1xsi n GLY 624 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.67 6.93 -0.18 1.61 1.01 -1.26 -1.33 116.67 120.78 1xsi s ASP 625 Ca 0.00 2.49 -0.14 0.00 0.71 0.00 0.00 52.55 55.60 1xsi s ASP 625 Cb 0.00 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.35 1xsi s ASP 625 CO 0.00 -0.44 0.46 0.54 0.21 0.00 0.00 175.17 175.94 1xsi s VAL 626 N -0.70 -0.01 -0.03 -1.27 0.11 0.02 -4.31 120.40 114.22 1xsi s VAL 626 Ca 0.51 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.65 1xsi s VAL 626 Cb -0.37 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1xsi s VAL 626 CO 0.45 0.01 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.90 1xsi s GLN 627 N 0.62 2.09 -0.03 1.54 -0.21 -1.26 -1.36 119.66 121.05 1xsi s GLN 627 Ca -0.03 -0.83 -0.23 0.00 0.02 0.00 0.00 55.36 54.28 1xsi s GLN 627 Cb -0.05 -1.91 0.05 0.00 1.00 0.00 0.00 33.01 32.10 1xsi s GLN 627 CO -0.04 0.44 0.51 -0.59 -2.12 0.00 0.00 175.29 173.49 1xsi s PHE 628 N -0.36 -0.43 -0.12 0.91 -0.12 -0.79 -5.00 117.98 112.06 1xsi s PHE 628 Ca 0.04 0.71 -0.08 0.00 -0.05 0.00 0.00 56.93 57.54 1xsi s PHE 628 Cb -0.11 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1xsi s PHE 628 CO 0.01 -0.52 0.17 -0.47 -0.05 0.00 0.00 175.22 174.36 1xsi s TYR 629 N -1.34 3.58 -0.19 3.49 5.04 -1.26 -1.58 117.35 125.08 1xsi s TYR 629 Ca -0.12 0.55 -0.02 0.00 -2.44 0.00 0.00 57.07 55.04 1xsi s TYR 629 Cb -0.02 -2.02 -0.01 0.00 0.35 0.00 0.00 41.96 40.26 1xsi s TYR 629 CO 0.07 0.64 -0.09 -0.51 -1.34 0.00 0.00 175.55 174.32 1xsi s LEU 630 N -0.76 2.74 1.01 6.97 1.02 -0.18 -5.01 118.68 124.47 1xsi s LEU 630 Ca 0.15 -0.41 -0.12 0.00 0.02 0.00 0.00 54.13 53.77 1xsi s LEU 630 Cb -0.12 -1.67 0.20 0.00 0.02 0.00 0.00 46.19 44.62 1xsi s LEU 630 CO 0.04 0.03 1.08 -2.84 0.02 0.00 0.00 176.35 174.68 1xsi s PRO 631 N 1.18 0.27 -0.07 1.29 0.02 -1.26 0.25 135.00 136.67 1xsi s PRO 631 Ca 0.02 1.08 -0.26 0.00 0.02 0.00 0.00 61.00 61.85 1xsi s PRO 631 Cb -0.14 -1.67 -0.13 0.00 0.02 0.00 0.00 34.50 32.57 1xsi s PRO 631 CO -0.03 -2.99 0.76 -1.91 -0.33 0.00 0.00 177.00 172.50 1xsi n GLU 632 N -4.43 0.00 0.00 5.54 2.13 -1.26 -2.57 120.64 120.04 1xsi n GLU 632 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1xsi n GLU 632 Cb 0.54 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 31.29 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 1.32 0.85 3.23 8.31 0.00 -1.26 -4.81 105.19 112.83 1xsi n GLY 633 Ca 0.14 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 1xsi n GLY 633 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xsi s ARG 634 N -0.93 2.53 0.33 1.61 3.52 -1.26 -0.00 118.95 124.75 1xsi s ARG 634 Ca 0.00 -1.23 0.00 0.00 -0.13 0.00 0.00 55.73 54.38 1xsi s ARG 634 Cb 0.00 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1xsi s ARG 634 CO 0.00 -0.66 0.53 -1.58 -0.81 0.00 0.00 175.30 172.78 1xsi s TRP 635 N 1.34 3.50 -0.04 5.12 0.52 0.86 -3.46 118.94 126.77 1xsi s TRP 635 Ca -0.03 0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.44 1xsi s TRP 635 Cb -0.20 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.26 1xsi s TRP 635 CO 0.01 0.16 -0.02 0.99 0.02 0.00 0.00 176.95 178.11 1xsi s THR 636 N -2.26 0.32 0.29 2.01 2.01 -0.18 -1.10 115.64 116.73 1xsi s THR 636 Ca 0.40 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 1xsi s THR 636 Cb -0.10 -0.39 -0.11 0.00 0.01 0.00 0.00 72.50 71.91 1xsi s THR 636 CO 0.35 0.18 1.46 -2.28 -0.69 0.00 0.00 174.62 173.64 1xsi s HIS 637 N 1.06 2.89 0.39 4.92 2.46 0.42 -0.33 115.29 127.10 1xsi s HIS 637 Ca -0.09 1.05 0.06 0.00 0.47 0.00 0.00 55.06 56.54 1xsi s HIS 637 Cb -0.14 -3.89 0.78 0.00 -0.13 0.00 0.00 32.58 29.21 1xsi s HIS 637 CO -0.01 -2.81 2.03 1.25 -2.47 0.00 0.00 174.74 172.72 1xsi h LEU 638 N 4.43 0.52 0.00 8.88 5.85 -1.24 -1.72 115.31 132.03 1xsi h LEU 638 Ca -0.47 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1xsi h LEU 638 Cb 1.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1xsi h LEU 638 CO 0.74 0.41 -0.67 -2.67 -0.34 0.00 0.00 178.44 175.91 1xsi n TRP 639 N -4.44 0.00 0.15 1.25 2.14 -1.26 -4.72 117.44 110.55 1xsi n TRP 639 Ca 0.04 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.63 1xsi n TRP 639 Cb 0.08 0.00 0.11 0.00 -0.81 0.00 0.00 31.31 30.69 1xsi n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsi h HIS 640 N 0.00 0.00 0.00 -2.67 3.86 -1.93 -3.47 115.15 110.94 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 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xsi h HIS 640 CO 0.00 0.51 0.00 0.09 0.86 0.00 0.00 177.93 179.39 1xsi n ASN 641 N -3.33 -1.26 -4.79 2.45 4.13 -0.65 -4.95 115.26 106.86 1xsi n ASN 641 Ca 0.01 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.93 1xsi n ASN 641 Cb 0.68 -1.50 -0.02 0.00 -1.54 0.00 0.00 39.78 37.40 1xsi n ASN 641 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1xsi s ASP 642 N -2.35 6.04 0.08 6.41 -4.77 -1.26 -4.55 116.67 116.27 1xsi s ASP 642 Ca 0.00 1.99 0.05 0.00 -3.30 0.00 0.00 52.55 51.29 1xsi s ASP 642 Cb 0.00 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 1xsi s ASP 642 CO 0.00 -0.99 -0.04 -1.61 0.70 0.00 0.00 175.17 173.23 1xsi s GLU 643 N -3.38 2.43 -0.02 2.11 2.02 -1.26 -0.44 118.70 120.16 1xsi s GLU 643 Ca 0.68 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.81 1xsi s GLU 643 Cb -0.19 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1xsi s GLU 643 CO 0.25 0.54 -0.05 -0.51 0.02 0.00 0.00 175.26 175.50 1xsi s LEU 644 N -2.17 1.79 0.32 1.80 1.43 -0.25 -4.97 118.68 116.62 1xsi s LEU 644 Ca 0.23 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 52.96 1xsi s LEU 644 Cb -0.11 -0.35 -0.10 0.00 0.03 0.00 0.00 46.19 45.66 1xsi s LEU 644 CO 0.16 0.03 0.95 -1.81 0.23 0.00 0.00 176.35 175.91 1xsi s ASP 645 N 0.18 7.36 0.21 2.29 1.01 -1.26 -0.10 116.67 126.36 1xsi s ASP 645 Ca -0.02 1.85 0.02 0.00 0.71 0.00 0.00 52.55 55.11 1xsi s ASP 645 Cb -0.06 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.31 1xsi s ASP 645 CO -0.00 -0.05 0.20 0.61 0.21 0.00 0.00 175.17 176.14 1xsi n GLY 646 N 0.64 1.68 2.38 0.21 0.00 0.99 -4.61 105.19 106.49 1xsi n GLY 646 Ca 0.02 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.87 -4.22 -3.37 1.61 2.88 0.68 -4.63 113.62 103.69 1xsi n SER 647 Ca 0.04 -0.09 -0.06 0.00 -1.33 0.00 0.00 58.87 57.43 1xsi n SER 647 Cb 0.14 -3.26 0.01 0.00 -0.75 0.00 0.00 64.21 60.35 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 -4.94 1.66 0.19 -1.46 1.70 -0.70 -4.94 118.95 110.45 1xsi s ARG 648 Ca 0.09 -1.02 -0.02 0.00 -0.47 0.00 0.00 55.73 54.31 1xsi s ARG 648 Cb -0.04 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 1xsi s ARG 648 CO 0.11 -0.77 0.39 -1.58 -1.08 0.00 0.00 175.30 172.37 1xsi s TRP 649 N -2.70 3.48 0.05 5.89 0.52 -1.26 -1.01 118.94 123.91 1xsi s TRP 649 Ca 0.16 0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.71 1xsi s TRP 649 Cb -0.04 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 1xsi s TRP 649 CO 0.07 0.39 -0.06 -1.01 0.02 0.00 0.00 176.95 176.36 1xsi s HIS 650 N -1.81 0.61 -0.07 -1.98 3.76 -0.62 -4.97 115.29 110.21 1xsi s HIS 650 Ca 0.39 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 1xsi s HIS 650 Cb -0.11 -0.38 0.02 0.00 1.11 0.00 0.00 32.58 33.22 1xsi s HIS 650 CO 0.28 -0.14 -0.08 0.21 -0.85 0.00 0.00 174.74 174.15 1xsi s LYS 651 N -2.14 1.37 0.26 1.40 2.20 -1.26 -1.88 119.74 119.68 1xsi s LYS 651 Ca -0.06 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 1xsi s LYS 651 Cb -0.06 -1.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.93 1xsi s LYS 651 CO -0.02 -0.10 0.15 -0.65 -0.36 0.00 0.00 175.35 174.37 1xsi s GLN 652 N 1.11 1.42 -0.04 4.03 -0.21 -0.46 -4.98 119.66 120.52 1xsi s GLN 652 Ca -0.07 -1.78 0.03 0.00 0.02 0.00 0.00 55.36 53.56 1xsi s GLN 652 Cb -0.14 0.08 0.01 0.00 1.00 0.00 0.00 33.01 33.95 1xsi s GLN 652 CO -0.01 -0.42 -0.11 -1.14 -2.12 0.00 0.00 175.29 171.49 1xsi s GLN 653 N -3.95 1.35 -0.02 2.91 0.74 -1.26 -0.80 119.66 118.62 1xsi s GLN 653 Ca 0.38 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 55.45 1xsi s GLN 653 Cb 0.06 -1.18 -0.00 0.00 1.10 0.00 0.00 33.01 32.99 1xsi s GLN 653 CO 0.16 0.09 -0.13 -1.01 -0.55 0.00 0.00 175.29 173.85 1xsi s HIS 654 N 0.40 1.23 0.89 1.67 3.76 -0.44 -4.97 115.29 117.83 1xsi s HIS 654 Ca -0.08 -0.29 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 1xsi s HIS 654 Cb -0.12 -0.83 0.22 0.00 1.11 0.00 0.00 32.58 32.96 1xsi s HIS 654 CO 0.02 -0.08 0.87 0.41 -0.85 0.00 0.00 174.74 175.10 1xsi n GLY 655 N 3.04 -2.41 0.09 -2.22 0.00 -1.26 -4.38 105.19 98.05 1xsi n GLY 655 Ca -0.17 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.08 0.64 0.02 1.61 3.72 -1.26 -2.16 117.46 115.94 1xsi n PHE 656 Ca 0.12 0.22 0.07 0.00 -0.05 0.00 0.00 57.45 57.81 1xsi n PHE 656 Cb 0.44 -0.85 0.26 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 -2.05 3.50 -3.89 4.37 4.32 -1.26 -4.87 117.00 117.12 1xsi n LEU 657 Ca 0.04 -1.76 -0.09 0.00 -0.02 0.00 0.00 56.01 54.18 1xsi n LEU 657 Cb 0.30 -0.46 -0.07 0.00 -1.62 0.00 0.00 43.42 41.57 1xsi n LEU 657 CO 0.23 0.66 -0.11 -0.55 -1.22 0.00 0.00 177.39 176.40 1xsi s SER 658 N -0.85 0.15 -0.11 -1.43 0.15 -0.92 -5.06 113.70 105.64 1xsi s SER 658 Ca 0.38 -0.70 -0.32 0.00 0.70 0.00 0.00 55.95 56.01 1xsi s SER 658 Cb 0.23 0.33 0.12 0.00 -1.71 0.00 0.00 66.02 65.00 1xsi s SER 658 CO 0.20 -0.73 1.07 -1.48 1.20 0.00 0.00 173.24 173.50 1xsi s LEU 659 N -2.88 -0.24 -0.11 3.45 2.34 -1.26 -4.67 118.68 115.31 1xsi s LEU 659 Ca 0.06 -0.00 -0.29 0.00 0.06 0.00 0.00 54.13 53.96 1xsi s LEU 659 Cb 0.05 1.67 -0.06 0.00 -0.56 0.00 0.00 46.19 47.29 1xsi s LEU 659 CO -0.10 -0.41 1.92 -2.84 -1.06 0.00 0.00 176.35 173.87 1xsi s PRO 660 N -2.73 3.75 -0.27 1.48 0.02 -1.25 -4.93 135.00 131.07 1xsi s PRO 660 Ca 0.07 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 1xsi s PRO 660 Cb -0.01 -4.18 0.08 0.00 0.02 0.00 0.00 34.50 30.42 1xsi s PRO 660 CO -0.07 -1.38 0.06 0.08 -0.33 0.00 0.00 177.00 175.37 1xsi s VAL 661 N 5.76 0.89 -0.02 3.83 1.01 -1.25 -1.29 120.40 129.33 1xsi s VAL 661 Ca 0.86 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1xsi s VAL 661 Cb -0.34 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1xsi s VAL 661 CO 0.35 -0.48 -0.24 -0.31 0.00 0.00 0.00 175.10 174.42 1xsi s TYR 662 N 1.64 2.18 -0.17 5.22 2.02 -0.46 -0.66 117.35 127.13 1xsi s TYR 662 Ca 0.05 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.28 1xsi s TYR 662 Cb -0.17 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1xsi s TYR 662 CO -0.18 -0.04 0.02 0.08 -1.57 0.00 0.00 175.55 173.86 1xsi s VAL 663 N -0.57 4.37 0.75 0.71 1.01 0.55 0.13 120.40 127.36 1xsi s VAL 663 Ca 0.09 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1xsi s VAL 663 Cb -0.09 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1xsi s VAL 663 CO -0.01 0.47 0.99 0.54 0.00 0.00 0.00 175.10 177.10 1xsi n ARG 664 N 3.59 0.40 -0.92 2.72 1.74 -0.62 -1.02 116.66 122.56 1xsi n ARG 664 Ca -0.17 0.20 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 1xsi n ARG 664 Cb 0.52 -2.26 0.20 0.00 -1.02 0.00 0.00 32.46 29.91 1xsi n ARG 664 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1xsi s ASP 665 N -1.76 2.13 -1.41 0.55 3.84 -1.22 -3.82 116.67 114.98 1xsi s ASP 665 Ca 0.73 1.41 -0.09 0.00 -0.00 0.00 0.00 52.55 54.60 1xsi s ASP 665 Cb -0.33 -2.11 0.01 0.00 -1.38 0.00 0.00 42.92 39.12 1xsi s ASP 665 CO 0.51 -3.47 1.08 0.59 -0.00 0.00 0.00 175.17 173.88 1xsi n ASN 666 N -4.42 -6.25 -4.30 2.11 3.02 -0.53 -4.96 115.26 99.94 1xsi n ASN 666 Ca 0.05 -0.51 -0.32 0.00 -0.03 0.00 0.00 54.58 53.77 1xsi n ASN 666 Cb 0.55 -4.94 -0.16 0.00 -0.61 0.00 0.00 39.78 34.63 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 -3.29 2.21 -0.25 3.41 2.01 -1.12 -4.53 115.64 114.07 1xsi s THR 667 Ca 0.55 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1xsi s THR 667 Cb -0.24 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1xsi s THR 667 CO 0.68 0.57 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.89 1xsi s LEU 668 N -0.22 3.21 -0.03 4.42 2.96 -1.26 -1.47 118.68 126.28 1xsi s LEU 668 Ca -0.02 -0.94 0.03 0.00 -0.22 0.00 0.00 54.13 52.99 1xsi s LEU 668 Cb -0.13 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1xsi s LEU 668 CO 0.03 -0.14 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.60 1xsi s LEU 669 N 1.30 2.96 -0.31 -0.68 2.96 0.02 -4.39 118.68 120.54 1xsi s LEU 669 Ca -0.01 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1xsi s LEU 669 Cb -0.17 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1xsi s LEU 669 CO -0.05 0.33 0.15 0.00 -1.32 0.00 0.00 176.35 175.46 1xsi s ALA 670 N -0.84 3.28 0.11 5.97 0.00 -1.26 -1.00 121.76 128.02 1xsi s ALA 670 Ca 0.13 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1xsi s ALA 670 Cb -0.11 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1xsi s ALA 670 CO 0.03 -0.86 0.06 -0.51 0.00 0.00 0.00 175.76 174.48 1xsi s LEU 671 N 1.62 3.66 0.50 0.00 1.02 -0.34 -2.82 118.68 122.32 1xsi s LEU 671 Ca 0.05 -0.13 0.06 0.00 0.02 0.00 0.00 54.13 54.13 1xsi s LEU 671 Cb -0.17 -2.33 0.02 0.00 0.02 0.00 0.00 46.19 43.73 1xsi s LEU 671 CO 0.06 0.14 0.40 -0.83 0.02 0.00 0.00 176.35 176.14 1xsi s GLY 672 N -2.61 2.27 -0.21 -3.19 0.00 0.39 -0.71 107.32 103.25 1xsi s GLY 672 Ca 0.29 -1.55 0.15 0.00 0.00 0.00 0.00 44.72 43.61 1xsi s GLY 672 CO 0.21 -1.86 1.64 1.16 0.00 0.00 0.00 173.10 174.25 1xsi n ASN 673 N -1.70 5.10 -3.88 1.64 6.94 -1.26 -4.79 115.26 117.31 1xsi n ASN 673 Ca 0.01 -2.94 -0.22 0.00 -0.02 0.00 0.00 54.58 51.40 1xsi n ASN 673 Cb 0.63 -0.63 -0.17 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.17 1.43 -0.11 0.53 3.84 -1.26 -5.01 114.94 113.19 1xsi s ASN 674 Ca 0.50 -0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.56 1xsi s ASN 674 Cb 0.39 -0.57 0.24 0.00 -0.55 0.00 0.00 41.25 40.76 1xsi s ASN 674 CO 0.14 -0.09 1.12 -0.90 -2.79 0.00 0.00 177.10 174.59 1xsi n ASP 675 N 4.44 2.24 -0.01 -4.21 5.75 -1.26 -3.27 116.55 120.23 1xsi n ASP 675 Ca -0.18 -2.91 0.02 0.00 -0.01 0.00 0.00 54.79 51.71 1xsi n ASP 675 Cb 0.51 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.27 0.62 -3.72 0.11 1.13 -1.26 -4.06 117.38 108.92 1xsi n GLN 676 Ca 0.13 -0.04 -0.11 0.00 -1.94 0.00 0.00 57.00 55.04 1xsi n GLN 676 Cb 0.59 -1.13 -0.07 0.00 0.11 0.00 0.00 30.24 29.74 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 -2.34 0.89 0.21 -1.09 1.70 -1.26 -4.62 118.95 112.44 1xsi s ARG 677 Ca -0.02 -0.57 0.15 0.00 -0.47 0.00 0.00 55.73 54.83 1xsi s ARG 677 Cb 0.03 0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1xsi s ARG 677 CO 0.22 -0.30 1.25 -1.00 -1.08 0.00 0.00 175.30 174.38 1xsi h PRO 678 N 2.94 0.00 -4.21 3.89 0.13 -1.88 -3.44 132.00 129.44 1xsi h PRO 678 Ca -0.32 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.08 1xsi h PRO 678 Cb 1.21 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 1xsi h PRO 678 CO 0.47 0.44 -0.36 0.16 -0.23 0.00 0.00 178.00 178.48 1xsi s ASP 679 N -6.24 5.73 0.38 1.44 -4.77 -1.26 -4.90 116.67 107.05 1xsi s ASP 679 Ca 0.02 -2.05 -0.11 0.00 -3.30 0.00 0.00 52.55 47.11 1xsi s ASP 679 Cb 0.08 -2.01 0.04 0.00 -1.09 0.00 0.00 42.92 39.94 1xsi s ASP 679 CO 0.77 -0.66 0.69 -0.72 0.70 0.00 0.00 175.17 175.95 1xsi s TYR 680 N 1.16 0.43 -0.88 2.11 1.13 -1.26 -5.03 117.35 115.02 1xsi s TYR 680 Ca 0.07 -0.97 -0.21 0.00 -1.41 0.00 0.00 57.07 54.56 1xsi s TYR 680 Cb -0.25 0.55 0.09 0.00 -1.10 0.00 0.00 41.96 41.26 1xsi s TYR 680 CO -0.02 -1.45 1.17 0.54 -2.51 0.00 0.00 175.55 173.29 1xsi s VAL 681 N -2.50 4.40 0.43 -3.49 0.11 -1.26 -4.85 120.40 113.23 1xsi s VAL 681 Ca 0.20 -1.00 0.09 0.00 -2.93 0.00 0.00 61.98 58.34 1xsi s VAL 681 Cb -0.04 -4.83 0.26 0.00 -1.53 0.00 0.00 36.38 30.25 1xsi s VAL 681 CO 0.14 -1.61 2.07 -0.50 -3.33 0.00 0.00 175.10 171.87 1xsi h TRP 682 N 9.29 0.42 -0.07 1.54 6.55 -1.97 -2.58 115.95 129.14 1xsi h TRP 682 Ca 0.04 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1xsi h TRP 682 Cb 1.03 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 29.19 1xsi h TRP 682 CO 1.14 0.28 0.00 -2.39 -1.05 0.00 0.00 178.44 176.42 1xsi n HIS 683 N -4.48 0.08 -4.20 0.49 1.44 -1.26 -4.19 115.22 103.10 1xsi n HIS 683 Ca 0.02 -0.04 -0.34 0.00 -2.01 0.00 0.00 57.72 55.35 1xsi n HIS 683 Cb 0.07 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.05 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 -1.92 3.56 0.00 -1.40 2.02 -0.97 -2.17 118.70 117.82 1xsi s GLU 684 Ca 0.33 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1xsi s GLU 684 Cb 0.16 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1xsi s GLU 684 CO 0.26 0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1xsi n GLY 685 N 4.10 0.51 3.72 -1.39 0.00 -0.38 -4.69 105.19 107.06 1xsi n GLY 685 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1xsi n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsi n THR 686 N -2.93 0.90 -3.72 2.61 -1.04 -1.26 -4.30 114.28 104.54 1xsi n THR 686 Ca 0.00 -0.23 -0.38 0.00 -2.04 0.00 0.00 64.05 61.40 1xsi n THR 686 Cb 0.01 -1.80 -0.12 0.00 -1.82 0.00 0.00 70.33 66.61 1xsi n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsi s ALA 687 N 0.08 3.11 0.37 2.41 0.00 0.11 -1.90 121.76 125.94 1xsi s ALA 687 Ca 0.66 -1.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 1xsi s ALA 687 Cb -0.55 -2.36 -0.10 0.00 0.00 0.00 0.00 23.12 20.11 1xsi s ALA 687 CO 0.47 -1.41 0.84 -0.06 0.00 0.00 0.00 175.76 175.60 1xsi s PHE 688 N 1.41 3.36 -0.04 0.00 0.08 0.64 -1.20 117.98 122.23 1xsi s PHE 688 Ca -0.00 1.42 -0.01 0.00 0.12 0.00 0.00 56.93 58.46 1xsi s PHE 688 Cb -0.20 -2.70 0.03 0.00 -0.57 0.00 0.00 43.02 39.58 1xsi s PHE 688 CO 0.03 0.01 0.02 -1.01 -0.10 0.00 0.00 175.22 174.17 1xsi s HIS 689 N -2.05 0.26 -0.12 0.36 3.76 -0.17 -0.36 115.29 116.98 1xsi s HIS 689 Ca 0.57 0.06 -0.06 0.00 -0.15 0.00 0.00 55.06 55.48 1xsi s HIS 689 Cb -0.10 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 1xsi s HIS 689 CO 0.16 -0.17 0.11 -1.17 -0.85 0.00 0.00 174.74 172.81 1xsi s LEU 690 N 1.50 4.19 -0.13 0.89 2.96 -0.37 -0.80 118.68 126.92 1xsi s LEU 690 Ca -0.03 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1xsi s LEU 690 Cb -0.13 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1xsi s LEU 690 CO -0.03 0.37 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.93 1xsi s PHE 691 N -0.80 1.64 -1.00 5.38 0.08 -0.54 -1.41 117.98 121.32 1xsi s PHE 691 Ca 0.13 -0.87 -0.27 0.00 0.12 0.00 0.00 56.93 56.04 1xsi s PHE 691 Cb -0.12 -1.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1xsi s PHE 691 CO 0.03 -0.56 0.57 0.09 -0.10 0.00 0.00 175.22 175.25 1xsi n ASN 692 N 4.90 -3.52 -4.62 1.36 5.03 -1.26 -1.45 115.26 115.71 1xsi n ASN 692 Ca -0.13 -1.09 -0.43 0.00 0.87 0.00 0.00 54.58 53.80 1xsi n ASN 692 Cb 0.50 -1.34 -0.03 0.00 -1.02 0.00 0.00 39.78 37.90 1xsi n ASN 692 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsi s LEU 693 N -6.86 3.72 0.66 3.41 0.20 -1.26 -1.60 118.68 116.96 1xsi s LEU 693 Ca 0.38 1.44 -0.10 0.00 0.69 0.00 0.00 54.13 56.53 1xsi s LEU 693 Cb -0.21 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.02 1xsi s LEU 693 CO 0.82 -1.44 1.05 -1.10 -0.29 0.00 0.00 176.35 175.38 1xsi s GLN 694 N 5.07 3.08 0.06 1.98 -0.21 -1.26 -4.98 119.66 123.40 1xsi s GLN 694 Ca 0.74 0.47 -0.31 0.00 0.02 0.00 0.00 55.36 56.28 1xsi s GLN 694 Cb -0.23 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.62 1xsi s GLN 694 CO 0.31 -0.85 1.60 0.34 -2.12 0.00 0.00 175.29 174.58 1xsi s ASP 695 N -4.30 6.65 0.00 5.90 2.15 -1.26 -2.19 116.67 123.62 1xsi s ASP 695 Ca 0.56 2.42 0.00 0.00 0.43 0.00 0.00 52.55 55.97 1xsi s ASP 695 Cb -0.11 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1xsi s ASP 695 CO 0.51 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 1xsi n GLY 696 N 3.91 0.63 3.70 2.66 0.00 -0.53 -5.02 105.19 110.55 1xsi n GLY 696 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.49 2.66 -0.01 1.61 3.76 -0.93 -4.94 115.29 114.94 1xsi s HIS 697 Ca 0.00 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1xsi s HIS 697 Cb 0.00 -1.62 -0.00 0.00 1.11 0.00 0.00 32.58 32.06 1xsi s HIS 697 CO 0.00 0.37 -0.06 -2.00 -0.85 0.00 0.00 174.74 172.19 1xsi s GLU 698 N -3.81 0.54 -0.06 1.40 2.12 -1.26 -1.45 118.70 116.17 1xsi s GLU 698 Ca 0.37 -0.23 0.05 0.00 0.36 0.00 0.00 54.97 55.53 1xsi s GLU 698 Cb -0.01 -0.52 -0.01 0.00 0.26 0.00 0.00 34.13 33.84 1xsi s GLU 698 CO 0.22 0.13 -0.23 0.00 -0.54 0.00 0.00 175.26 174.84 1xsi s ALA 699 N -0.11 2.27 0.01 6.30 0.00 -0.14 -4.96 121.76 125.13 1xsi s ALA 699 Ca 0.02 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1xsi s ALA 699 Cb -0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1xsi s ALA 699 CO -0.00 0.42 -0.24 0.08 0.00 0.00 0.00 175.76 176.01 1xsi s VAL 700 N -0.18 1.94 -0.09 0.00 1.01 -1.26 -0.89 120.40 120.92 1xsi s VAL 700 Ca -0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1xsi s VAL 700 Cb -0.14 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.64 1xsi s VAL 700 CO 0.04 0.44 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 1xsi s GLU 702 N 1.69 3.46 -0.21 0.00 2.02 -1.26 -0.02 118.70 124.38 1xsi s GLU 702 Ca 0.03 -0.60 -0.16 0.00 0.02 0.00 0.00 54.97 54.26 1xsi s GLU 702 Cb -0.13 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1xsi s GLU 702 CO -0.06 -0.24 0.42 0.08 0.02 0.00 0.00 175.26 175.47 1xsi s VAL 703 N 1.55 5.18 0.55 2.63 1.01 0.12 -4.83 120.40 126.61 1xsi s VAL 703 Ca 0.05 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.66 1xsi s VAL 703 Cb -0.15 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1xsi s VAL 703 CO 0.01 0.22 0.95 -2.16 0.00 0.00 0.00 175.10 174.12 1xsi s PRO 704 N 1.51 3.66 0.73 2.72 0.04 -1.26 -0.56 135.00 141.83 1xsi s PRO 704 Ca 0.19 0.64 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 1xsi s PRO 704 Cb -0.15 -2.18 0.09 0.00 0.04 0.00 0.00 34.50 32.30 1xsi s PRO 704 CO 0.08 -0.40 1.03 0.00 0.04 0.00 0.00 177.00 177.76 1xsi s ALA 705 N -2.93 3.17 0.60 8.56 0.00 0.19 -4.61 121.76 126.75 1xsi s ALA 705 Ca 0.54 -1.11 0.30 0.00 0.00 0.00 0.00 51.96 51.69 1xsi s ALA 705 Cb -0.11 -2.50 1.72 0.00 0.00 0.00 0.00 23.12 22.23 1xsi s ALA 705 CO 0.47 -1.43 2.10 0.00 0.00 0.00 0.00 175.76 176.90 1xsi h ALA 706 N -0.67 1.70 -0.45 0.00 0.00 -1.94 0.19 119.26 118.09 1xsi h ALA 706 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xsi h ALA 706 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xsi h ALA 706 CO 0.54 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1xsi n ASP 707 N -3.65 3.02 0.00 0.00 5.75 -1.26 -4.76 116.55 115.64 1xsi n ASP 707 Ca 0.01 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1xsi n ASP 707 Cb 0.32 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1xsi n ASP 707 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsi n GLY 708 N 1.41 1.81 3.78 6.12 0.00 0.67 -5.02 105.19 113.96 1xsi n GLY 708 Ca 0.19 0.00 -0.33 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 -3.26 5.43 -0.22 1.61 1.04 -1.26 -4.64 113.70 112.40 1xsi s SER 709 Ca 0.00 2.01 -0.29 0.00 0.48 0.00 0.00 55.95 58.15 1xsi s SER 709 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1xsi s SER 709 CO 0.00 -1.41 1.48 -0.69 0.98 0.00 0.00 173.24 173.60 1xsi s VAL 710 N -2.21 3.90 -0.14 5.02 1.01 -1.26 0.56 120.40 127.29 1xsi s VAL 710 Ca 0.68 1.03 0.21 0.00 0.00 0.00 0.00 61.98 63.90 1xsi s VAL 710 Cb -0.20 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.15 1xsi s VAL 710 CO 0.36 -0.31 0.74 0.00 0.00 0.00 0.00 175.10 175.89 1xsi n ILE 711 N 6.14 0.48 -3.68 2.22 3.06 0.27 -4.85 119.36 123.00 1xsi n ILE 711 Ca 0.17 -0.56 -0.10 0.00 -2.50 0.00 0.00 62.75 59.75 1xsi n ILE 711 Cb 0.45 -0.25 -0.09 0.00 0.54 0.00 0.00 39.64 40.29 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 -3.33 -0.73 -0.12 9.51 5.36 -1.05 -1.30 117.98 126.31 1xsi s PHE 712 Ca -0.04 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 57.48 1xsi s PHE 712 Cb 0.11 0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 43.14 1xsi s PHE 712 CO 0.84 -0.38 -0.16 0.99 -1.46 0.00 0.00 175.22 175.05 1xsi s THR 713 N 1.25 2.81 -0.11 0.12 2.01 -0.05 0.15 115.64 121.81 1xsi s THR 713 Ca -0.08 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1xsi s THR 713 Cb -0.07 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 1xsi s THR 713 CO -0.12 0.53 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.95 1xsi s LEU 714 N 0.35 2.48 0.09 4.42 0.20 0.98 -0.93 118.68 126.26 1xsi s LEU 714 Ca -0.13 -0.41 0.10 0.00 0.69 0.00 0.00 54.13 54.38 1xsi s LEU 714 Cb -0.16 -1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 1xsi s LEU 714 CO 0.07 0.17 -0.26 -0.54 -0.29 0.00 0.00 176.35 175.50 1xsi s LYS 715 N 0.29 1.57 -0.23 1.98 1.02 0.81 -0.37 119.74 124.82 1xsi s LYS 715 Ca -0.13 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.63 1xsi s LYS 715 Cb -0.16 -1.90 0.07 0.00 -0.52 0.00 0.00 37.83 35.32 1xsi s LYS 715 CO 0.07 0.47 0.03 0.00 -0.92 0.00 0.00 175.35 175.00 1xsi s ALA 716 N -0.94 1.28 -0.05 5.17 0.00 -0.07 -0.99 121.76 126.16 1xsi s ALA 716 Ca 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1xsi s ALA 716 Cb -0.10 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1xsi s ALA 716 CO 0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 175.76 174.49 1xsi s ALA 717 N 1.73 3.15 -0.10 0.00 0.00 0.08 -0.97 121.76 125.65 1xsi s ALA 717 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1xsi s ALA 717 Cb -0.17 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.63 1xsi s ALA 717 CO -0.11 0.60 -0.20 0.50 0.00 0.00 0.00 175.76 176.55 1xsi s ARG 718 N -1.08 2.65 0.00 0.00 3.52 -0.53 -0.01 118.95 123.50 1xsi s ARG 718 Ca 0.15 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1xsi s ARG 718 Cb -0.11 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1xsi s ARG 718 CO 0.04 0.08 0.00 -2.37 -0.81 0.00 0.00 175.30 172.25 1xsi n THR 719 N 3.77 0.00 0.00 4.11 5.66 -0.70 -1.45 114.28 125.67 1xsi n THR 719 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1xsi n THR 719 Cb 0.52 -0.91 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 1xsi n THR 719 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsi n GLY 720 N 3.06 0.49 0.05 1.09 0.00 -1.26 -4.64 105.19 103.98 1xsi n GLY 720 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.03 -4.58 1.61 3.02 -1.26 -4.84 115.26 111.24 1xsi n ASN 721 Ca 0.00 -1.96 -0.39 0.00 -0.03 0.00 0.00 54.58 52.20 1xsi n ASN 721 Cb 0.00 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.96 5.27 -0.18 3.41 2.01 -1.26 0.26 115.64 124.19 1xsi s THR 722 Ca 0.02 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1xsi s THR 722 Cb 0.01 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1xsi s THR 722 CO 0.01 0.15 -0.00 -0.51 -0.69 0.00 0.00 174.62 173.59 1xsi s ILE 723 N 1.84 4.13 -0.18 1.82 -1.16 -0.49 -1.72 121.20 125.43 1xsi s ILE 723 Ca 0.09 -0.27 -0.13 0.00 -0.51 0.00 0.00 60.65 59.83 1xsi s ILE 723 Cb -0.16 -2.84 -0.05 0.00 0.61 0.00 0.00 42.46 40.02 1xsi s ILE 723 CO 0.11 0.46 0.26 -0.89 -2.81 0.00 0.00 174.94 172.07 1xsi s THR 724 N 0.59 5.32 -0.21 4.00 2.01 0.98 -1.63 115.64 126.70 1xsi s THR 724 Ca -0.01 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 1xsi s THR 724 Cb -0.14 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 1xsi s THR 724 CO 0.02 0.37 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.55 1xsi s VAL 725 N 0.63 3.01 -0.03 3.82 1.01 -1.22 -0.74 120.40 126.88 1xsi s VAL 725 Ca 0.14 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1xsi s VAL 725 Cb -0.13 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1xsi s VAL 725 CO 0.03 0.46 -0.17 0.42 0.00 0.00 0.00 175.10 175.84 1xsi s THR 726 N 1.39 1.42 0.13 3.92 -4.23 -0.16 -4.15 115.64 113.95 1xsi s THR 726 Ca 0.05 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.89 1xsi s THR 726 Cb -0.14 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.45 1xsi s THR 726 CO -0.06 0.41 -0.03 -0.83 -0.54 0.00 0.00 174.62 173.57 1xsi s GLY 727 N -0.12 1.81 -0.15 3.99 0.00 -1.26 -0.13 107.32 111.44 1xsi s GLY 727 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 1xsi s GLY 727 CO 0.01 -1.25 0.28 0.00 0.00 0.00 0.00 173.10 172.14 1xsi s ALA 728 N -1.45 -0.62 0.00 3.20 0.00 -0.11 -5.01 121.76 117.77 1xsi s ALA 728 Ca 0.25 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1xsi s ALA 728 Cb -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1xsi s ALA 728 CO 0.17 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1xsi n GLY 729 N 5.35 0.32 3.64 0.00 0.00 -1.26 -0.87 105.19 112.37 1xsi n GLY 729 Ca -0.06 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.29 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 4.12 0.09 1.61 2.12 -0.42 -4.93 118.70 121.29 1xsi s GLU 730 Ca 0.00 0.23 -0.15 0.00 0.36 0.00 0.00 54.97 55.41 1xsi s GLU 730 Cb 0.00 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.82 1xsi s GLU 730 CO 0.00 -0.18 0.35 0.00 -0.54 0.00 0.00 175.26 174.89 1xsi s ALA 731 N 1.75 -0.77 -0.04 6.30 0.00 -1.26 -4.35 121.76 123.38 1xsi s ALA 731 Ca 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1xsi s ALA 731 Cb -0.15 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1xsi s ALA 731 CO 0.09 -0.55 -0.06 0.15 0.00 0.00 0.00 175.76 175.38 1xsi s LYS 732 N -3.42 0.97 -1.15 0.00 3.01 -0.92 -4.93 119.74 113.30 1xsi s LYS 732 Ca 0.01 -0.18 -0.01 0.00 -1.01 0.00 0.00 55.97 54.78 1xsi s LYS 732 Cb 0.02 -0.91 0.00 0.00 -1.01 0.00 0.00 37.83 35.92 1xsi s LYS 732 CO -0.09 -0.03 0.96 -1.71 0.51 0.00 0.00 175.35 174.99 1xsi n ASN 733 N 3.85 -2.33 -4.85 2.83 4.05 -1.26 -1.25 115.26 116.30 1xsi n ASN 733 Ca -0.24 -0.58 -0.21 0.00 0.45 0.00 0.00 54.58 54.00 1xsi n ASN 733 Cb 0.52 -4.88 -0.04 0.00 1.23 0.00 0.00 39.78 36.61 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 -3.34 2.78 0.03 1.20 1.48 -1.26 -3.23 118.94 116.61 1xsi s TRP 734 Ca 0.04 -0.41 0.01 0.00 -1.06 0.00 0.00 56.10 54.68 1xsi s TRP 734 Cb -0.02 -1.97 -0.02 0.00 -1.16 0.00 0.00 33.47 30.30 1xsi s TRP 734 CO 0.69 0.05 -0.06 0.99 -4.06 0.00 0.00 176.95 174.57 1xsi s THR 735 N -2.41 0.36 -0.25 0.66 2.01 -0.80 -4.54 115.64 110.68 1xsi s THR 735 Ca 0.44 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1xsi s THR 735 Cb -0.04 -0.46 0.06 0.00 0.01 0.00 0.00 72.50 72.07 1xsi s THR 735 CO 0.27 -0.41 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.46 1xsi s LEU 736 N -1.47 3.19 -0.24 4.42 0.20 0.26 -0.26 118.68 124.79 1xsi s LEU 736 Ca -0.12 -1.30 -0.13 0.00 0.69 0.00 0.00 54.13 53.27 1xsi s LEU 736 Cb -0.10 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1xsi s LEU 736 CO -0.00 -0.18 0.27 0.00 -0.29 0.00 0.00 176.35 176.14 1xsi s LEU 738 N 1.45 5.12 0.31 0.00 1.43 0.38 -1.24 118.68 126.12 1xsi s LEU 738 Ca 0.12 -1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 51.34 1xsi s LEU 738 Cb -0.15 -2.36 -0.11 0.00 0.03 0.00 0.00 46.19 43.60 1xsi s LEU 738 CO 0.08 -1.15 1.58 -0.13 0.23 0.00 0.00 176.35 176.96 1xsi s ARG 739 N 2.89 4.11 -1.77 1.70 1.81 -0.50 -2.21 118.95 124.98 1xsi s ARG 739 Ca 0.21 2.59 0.00 0.00 -1.72 0.00 0.00 55.73 56.81 1xsi s ARG 739 Cb -0.16 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.33 1xsi s ARG 739 CO 0.02 -0.63 0.00 0.09 -0.68 0.00 0.00 175.30 174.10 1xsi n ASN 740 N 1.89 -5.03 -4.15 0.23 3.02 0.15 -4.72 115.26 106.65 1xsi n ASN 740 Ca 0.07 0.39 -0.34 0.00 -0.03 0.00 0.00 54.58 54.68 1xsi n ASN 740 Cb 0.38 -4.03 -0.14 0.00 -0.61 0.00 0.00 39.78 35.38 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 -2.64 2.62 -0.03 2.41 1.01 -0.94 -4.99 120.40 117.84 1xsi s VAL 741 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 1xsi s VAL 741 Cb 0.00 -2.43 -0.32 0.00 0.00 0.00 0.00 36.38 33.63 1xsi s VAL 741 CO 0.00 0.07 0.76 -0.37 0.00 0.00 0.00 175.10 175.56 1xsi h VAL 742 N 6.40 1.07 -3.82 2.92 -1.51 -1.93 0.89 116.25 120.27 1xsi h VAL 742 Ca -0.26 -2.55 -0.43 0.00 -1.23 0.00 0.00 66.70 62.22 1xsi h VAL 742 Cb 1.08 2.86 -0.31 0.00 -2.13 0.00 0.00 31.29 32.79 1xsi h VAL 742 CO 0.53 0.82 -0.79 -0.75 -1.23 0.00 0.00 177.57 176.16 1xsi s LYS 743 N -2.57 1.00 0.24 5.19 2.20 -1.26 -4.60 119.74 119.95 1xsi s LYS 743 Ca -0.14 -0.32 0.06 0.00 -0.36 0.00 0.00 55.97 55.20 1xsi s LYS 743 Cb 0.05 -0.93 -0.03 0.00 -1.51 0.00 0.00 37.83 35.40 1xsi s LYS 743 CO 0.87 0.12 0.31 0.54 -0.36 0.00 0.00 175.35 176.83 1xsi s VAL 744 N 0.18 5.02 -0.01 4.02 0.11 -1.26 -4.31 120.40 124.15 1xsi s VAL 744 Ca -0.03 -1.11 0.05 0.00 -2.93 0.00 0.00 61.98 57.96 1xsi s VAL 744 Cb -0.09 -3.72 -0.24 0.00 -1.53 0.00 0.00 36.38 30.80 1xsi s VAL 744 CO 0.01 -0.34 0.80 -1.13 -3.33 0.00 0.00 175.10 171.11 1xsi h ASN 745 N 1.27 0.15 -4.38 3.54 -1.24 -1.36 -3.45 115.58 110.12 1xsi h ASN 745 Ca -0.51 -0.25 0.07 0.00 0.71 0.00 0.00 56.30 56.32 1xsi h ASN 745 Cb 1.23 -0.05 -0.20 0.00 0.73 0.00 0.00 38.32 40.03 1xsi h ASN 745 CO 0.61 1.22 0.49 -0.83 -1.29 0.00 0.00 177.43 177.63 1xsi s GLY 746 N -5.04 -0.36 -0.15 1.57 0.00 -1.10 -4.98 107.32 97.26 1xsi s GLY 746 Ca -0.07 1.64 -0.04 0.00 0.00 0.00 0.00 44.72 46.25 1xsi s GLY 746 CO 0.83 0.81 0.12 1.08 0.00 0.00 0.00 173.10 175.94 1xsi s LEU 747 N -1.54 0.17 -0.16 0.66 1.43 -1.26 -0.27 118.68 117.72 1xsi s LEU 747 Ca -0.01 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1xsi s LEU 747 Cb -0.01 -0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 1xsi s LEU 747 CO -0.01 -0.32 0.24 -1.10 0.23 0.00 0.00 176.35 175.39 1xsi s GLN 748 N 2.20 4.15 -0.82 1.70 -1.52 -0.76 -4.39 119.66 120.22 1xsi s GLN 748 Ca 0.04 0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.45 1xsi s GLN 748 Cb -0.15 -3.39 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1xsi s GLN 748 CO -0.09 0.32 0.00 -0.25 -0.25 0.00 0.00 175.29 175.03 1xsi n ASP 749 N 3.34 -3.55 -3.71 5.90 9.92 -1.26 -2.85 116.55 124.34 1xsi n ASP 749 Ca -0.14 0.11 -0.14 0.00 -0.53 0.00 0.00 54.79 54.09 1xsi n ASP 749 Cb 0.52 -2.30 -0.08 0.00 -0.64 0.00 0.00 41.12 38.62 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 -2.77 -0.27 0.23 0.44 0.00 -1.26 0.10 107.32 103.79 1xsi s GLY 750 Ca 0.00 0.71 -0.09 0.00 0.00 0.00 0.00 44.72 45.34 1xsi s GLY 750 CO 0.00 0.48 0.55 -1.35 0.00 0.00 0.00 173.10 172.78 1xsi s SER 751 N -0.96 6.61 0.13 1.64 1.04 -0.20 -4.86 113.70 117.09 1xsi s SER 751 Ca -0.10 0.90 0.10 0.00 0.48 0.00 0.00 55.95 57.33 1xsi s SER 751 Cb -0.04 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 1xsi s SER 751 CO 0.05 -0.08 -0.25 0.00 0.98 0.00 0.00 173.24 173.94 1xsi s GLN 752 N -2.87 1.33 -0.07 4.02 -2.07 -1.26 -0.61 119.66 118.13 1xsi s GLN 752 Ca 0.47 -1.31 -0.06 0.00 -1.82 0.00 0.00 55.36 52.64 1xsi s GLN 752 Cb -0.11 -1.74 0.02 0.00 -1.09 0.00 0.00 33.01 30.09 1xsi s GLN 752 CO 0.22 0.41 0.20 0.00 -1.32 0.00 0.00 175.29 174.79 1xsi s ALA 753 N -1.14 -0.47 0.42 2.60 0.00 -0.85 -5.02 121.76 117.28 1xsi s ALA 753 Ca 0.12 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.42 1xsi s ALA 753 Cb -0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.59 1xsi s ALA 753 CO 0.06 -0.10 1.25 -1.21 0.00 0.00 0.00 175.76 175.75 1xsi s GLU 754 N 0.24 3.93 0.20 0.00 2.02 -1.26 -0.70 118.70 123.13 1xsi s GLU 754 Ca -0.01 2.02 0.00 0.00 0.02 0.00 0.00 54.97 57.00 1xsi s GLU 754 Cb -0.03 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1xsi s GLU 754 CO -0.01 -0.47 0.09 -1.54 0.02 0.00 0.00 175.26 173.35 1xsi s SER 755 N -0.94 0.65 0.42 -0.19 1.04 -1.17 -4.82 113.70 108.69 1xsi s SER 755 Ca 0.58 -1.33 0.09 0.00 0.48 0.00 0.00 55.95 55.77 1xsi s SER 755 Cb -0.35 0.26 0.91 0.00 0.10 0.00 0.00 66.02 66.94 1xsi s SER 755 CO 0.44 -0.75 2.05 1.05 0.98 0.00 0.00 173.24 177.01 1xsi h GLU 756 N 2.60 0.50 0.00 4.02 4.11 -2.01 -2.55 114.58 121.25 1xsi h GLU 756 Ca -0.37 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1xsi h GLU 756 Cb 1.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1xsi h GLU 756 CO 0.58 0.33 -0.14 1.04 0.07 0.00 0.00 179.01 180.89 1xsi n GLN 757 N -4.48 0.01 0.00 1.06 6.02 -1.26 -4.93 117.38 113.81 1xsi n GLN 757 Ca 0.04 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1xsi n GLN 757 Cb 0.12 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1xsi n GLN 757 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsi n GLY 758 N 1.49 1.30 3.68 1.08 0.00 -0.96 0.32 105.19 112.10 1xsi n GLY 758 Ca 0.06 -2.20 -0.45 0.00 0.00 0.00 0.00 46.02 43.43 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 3.61 -4.57 0.99 7.94 0.30 -3.04 117.00 122.24 1xsi n LEU 759 Ca 0.00 1.00 -0.41 0.00 -1.11 0.00 0.00 56.01 55.49 1xsi n LEU 759 Cb 0.00 -1.45 -0.08 0.00 0.53 0.00 0.00 43.42 42.42 1xsi n LEU 759 CO 0.00 -0.02 0.19 -0.69 -1.11 0.00 0.00 177.39 175.76 1xsi s VAL 760 N 2.93 5.06 -0.16 1.96 1.01 0.12 -0.47 120.40 130.84 1xsi s VAL 760 Ca 0.86 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 1xsi s VAL 760 Cb -0.60 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1xsi s VAL 760 CO 0.43 -0.14 0.13 -0.69 0.00 0.00 0.00 175.10 174.83 1xsi s VAL 761 N 2.30 5.40 -0.19 2.92 1.01 0.13 -2.02 120.40 129.96 1xsi s VAL 761 Ca 0.18 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 1xsi s VAL 761 Cb -0.16 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1xsi s VAL 761 CO 0.12 0.52 -0.15 -0.75 0.00 0.00 0.00 175.10 174.85 1xsi s LYS 762 N -0.25 3.12 0.62 2.72 2.47 0.22 -0.57 119.74 128.08 1xsi s LYS 762 Ca 0.11 -0.76 -0.14 0.00 -1.56 0.00 0.00 55.97 53.61 1xsi s LYS 762 Cb -0.11 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 33.52 1xsi s LYS 762 CO 0.01 -0.19 1.06 -1.25 0.16 0.00 0.00 175.35 175.13 1xsi s PRO 763 N 1.32 3.21 -0.20 4.03 0.04 -1.26 -1.04 135.00 141.09 1xsi s PRO 763 Ca 0.05 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.12 1xsi s PRO 763 Cb -0.14 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1xsi s PRO 763 CO -0.09 -0.89 0.48 1.14 0.04 0.00 0.00 177.00 177.67 1xsi s GLN 764 N -4.33 0.45 0.00 4.56 -2.07 0.28 -4.83 119.66 113.72 1xsi s GLN 764 Ca 0.62 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 55.11 1xsi s GLN 764 Cb -0.15 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 1xsi s GLN 764 CO 0.42 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.62 1xsi n GLY 765 N 4.51 2.50 1.94 2.60 0.00 -1.26 -4.49 105.19 110.99 1xsi n GLY 765 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1xsi n GLY 765 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsi n ASN 766 N 0.79 -2.54 0.00 1.61 4.13 -1.26 -4.98 115.26 113.01 1xsi n ASN 766 Ca 0.00 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.79 1xsi n ASN 766 Cb 0.00 -2.66 0.00 0.00 -1.54 0.00 0.00 39.78 35.58 1xsi n ASN 766 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xsi n ALA 767 N 0.50 0.61 -0.21 5.41 0.00 -1.26 -4.99 120.51 120.57 1xsi n ALA 767 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xsi n ALA 767 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.43 0.00 -4.77 0.00 0.00 -1.21 -3.44 117.00 107.15 1xsi n LEU 768 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.60 1xsi n LEU 768 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 1xsi n LEU 768 CO 0.00 0.00 1.08 0.28 0.00 0.00 0.00 177.39 178.75 1xsi s THR 769 N 0.00 2.36 0.04 1.96 -1.32 -1.13 -4.36 115.64 113.18 1xsi s THR 769 Ca 0.00 0.35 0.09 0.00 -1.21 0.00 0.00 61.69 60.92 1xsi s THR 769 Cb 0.00 -3.22 -0.03 0.00 -1.51 0.00 0.00 72.50 67.74 1xsi s THR 769 CO 0.00 0.08 -0.25 0.27 -2.21 0.00 0.00 174.62 172.51 1xsi s ILE 770 N -0.95 2.04 -0.24 5.08 -5.25 -0.65 -1.82 121.20 119.42 1xsi s ILE 770 Ca 0.53 -1.33 -0.03 0.00 -0.99 0.00 0.00 60.65 58.83 1xsi s ILE 770 Cb -0.44 -1.74 0.01 0.00 2.95 0.00 0.00 42.46 43.24 1xsi s ILE 770 CO 0.57 0.35 -0.05 -0.89 -1.79 0.00 0.00 174.94 173.13 1xsi s THR 771 N -0.78 3.10 0.57 8.37 2.01 0.63 -1.40 115.64 128.14 1xsi s THR 771 Ca 0.11 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.15 1xsi s THR 771 Cb -0.10 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1xsi s THR 771 CO 0.02 0.30 1.11 -0.76 -0.69 0.00 0.00 174.62 174.60 1xsi s LEU 772 N 1.40 3.65 0.00 4.42 1.43 0.74 -1.16 118.68 129.16 1xsi s LEU 772 Ca 0.03 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1xsi s LEU 772 Cb -0.15 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1xsi s LEU 772 CO -0.04 -1.28 0.34 0.00 0.23 0.00 0.00 176.35 175.60