#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsk s LYS 2 N 0.00 4.27 0.02 2.12 -0.14 -1.26 -4.87 119.74 119.87 1xsk s LYS 2 Ca 0.00 2.18 -0.05 0.00 -1.36 0.00 0.00 55.97 56.74 1xsk s LYS 2 Cb 0.00 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 1xsk s LYS 2 CO 0.00 -0.54 -0.10 -0.89 -0.76 0.00 0.00 175.35 173.06 1xsk n ILE 3 N 4.12 1.31 -1.89 2.17 5.41 -1.26 -4.91 119.36 124.31 1xsk n ILE 3 Ca 0.13 0.33 -0.30 0.00 1.00 0.00 0.00 62.75 63.91 1xsk n ILE 3 Cb 0.41 -1.81 0.04 0.00 -0.71 0.00 0.00 39.64 37.57 1xsk n ILE 3 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xsk s SER 4 N -5.97 5.51 -0.56 4.38 1.04 -1.26 -1.03 113.70 115.81 1xsk s SER 4 Ca -0.09 1.14 0.06 0.00 0.48 0.00 0.00 55.95 57.55 1xsk s SER 4 Cb 0.01 -1.96 0.22 0.00 0.10 0.00 0.00 66.02 64.39 1xsk s SER 4 CO 0.13 -1.30 0.57 -0.67 0.98 0.00 0.00 173.24 172.95 1xsk n ASP 5 N -2.98 2.05 0.00 7.02 2.03 0.11 -4.45 116.55 120.33 1xsk n ASP 5 Ca 0.07 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.34 1xsk n ASP 5 Cb 0.57 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1xsk n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsk n GLY 6 N 1.56 -2.34 0.17 0.27 0.00 -1.26 -3.23 105.19 100.36 1xsk n GLY 6 Ca 0.25 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.64 1xsk n GLY 6 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xsk h ASN 7 N 0.00 0.00 0.23 1.61 -1.24 -1.97 -3.36 115.58 110.86 1xsk h ASN 7 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 1xsk h ASN 7 Cb 0.00 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1xsk h ASN 7 CO 0.00 0.41 -1.97 0.79 -1.29 0.00 0.00 177.43 175.38 1xsk n TRP 8 N -3.33 0.33 -4.54 0.67 7.02 -1.26 -5.03 117.44 111.30 1xsk n TRP 8 Ca 0.01 0.11 -0.31 0.00 -1.02 0.00 0.00 57.50 56.29 1xsk n TRP 8 Cb 0.62 -0.90 -0.06 0.00 -2.42 0.00 0.00 31.31 28.55 1xsk n TRP 8 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xsk s LEU 9 N -5.34 2.41 0.12 -0.99 1.43 -1.20 -5.02 118.68 110.09 1xsk s LEU 9 Ca -0.07 -1.55 0.08 0.00 -1.03 0.00 0.00 54.13 51.57 1xsk s LEU 9 Cb 0.09 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1xsk s LEU 9 CO 0.84 -0.91 -0.20 -0.63 0.23 0.00 0.00 176.35 175.68 1xsk s ILE 10 N -2.85 1.76 0.36 -0.59 1.01 -1.26 -0.71 121.20 118.91 1xsk s ILE 10 Ca 0.13 -1.67 -0.29 0.00 0.00 0.00 0.00 60.65 58.83 1xsk s ILE 10 Cb 0.01 -1.66 -0.11 0.00 0.01 0.00 0.00 42.46 40.71 1xsk s ILE 10 CO 0.08 -0.14 1.53 -1.10 0.00 0.00 0.00 174.94 175.30 1xsk s GLN 11 N -2.19 4.10 0.18 2.79 -1.52 -0.19 -4.59 119.66 118.24 1xsk s GLN 11 Ca 0.09 2.59 -0.33 0.00 -1.95 0.00 0.00 55.36 55.77 1xsk s GLN 11 Cb -0.09 -2.98 -0.15 0.00 -0.22 0.00 0.00 33.01 29.58 1xsk s GLN 11 CO 0.05 -0.58 1.38 -2.30 -0.25 0.00 0.00 175.29 173.59 1xsk n PRO 12 N 0.93 1.71 -0.49 2.91 -0.02 -1.26 -2.19 135.00 136.60 1xsk n PRO 12 Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1xsk n PRO 12 Cb 0.39 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1xsk n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsk n GLY 13 N 2.46 1.12 3.81 -1.23 0.00 -1.26 -4.86 105.19 105.22 1xsk n GLY 13 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1xsk n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsk s LEU 14 N 0.00 4.29 -0.16 0.99 1.43 -0.93 -0.52 118.68 123.77 1xsk s LEU 14 Ca 0.00 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1xsk s LEU 14 Cb 0.00 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1xsk s LEU 14 CO 0.00 0.31 -0.21 0.20 0.23 0.00 0.00 176.35 176.88 1xsk s ASN 15 N -0.43 3.10 -0.06 2.29 0.01 -0.69 -4.88 114.94 114.28 1xsk s ASN 15 Ca 0.12 -0.63 0.01 0.00 -0.71 0.00 0.00 52.86 51.65 1xsk s ASN 15 Cb -0.12 -1.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.06 1xsk s ASN 15 CO 0.01 0.03 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.80 1xsk s LEU 16 N 1.11 3.15 -0.04 0.60 1.43 -1.26 -1.09 118.68 122.58 1xsk s LEU 16 Ca 0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1xsk s LEU 16 Cb -0.14 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1xsk s LEU 16 CO -0.09 0.36 -0.12 0.27 0.23 0.00 0.00 176.35 177.01 1xsk s ILE 17 N -0.81 1.02 0.17 -0.59 -4.36 -0.83 -5.01 121.20 110.78 1xsk s ILE 17 Ca 0.13 -0.47 0.09 0.00 -0.26 0.00 0.00 60.65 60.14 1xsk s ILE 17 Cb -0.11 -0.90 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 1xsk s ILE 17 CO 0.02 0.31 -0.18 -1.00 0.24 0.00 0.00 174.94 174.33 1xsk s HIS 18 N 0.30 1.86 -0.65 1.37 3.76 -1.26 -1.32 115.29 119.34 1xsk s HIS 18 Ca -0.06 -0.47 -0.26 0.00 -0.15 0.00 0.00 55.06 54.12 1xsk s HIS 18 Cb -0.11 -0.91 0.04 0.00 1.11 0.00 0.00 32.58 32.71 1xsk s HIS 18 CO 0.02 0.36 1.13 -1.25 -0.85 0.00 0.00 174.74 174.14 1xsk s PRO 19 N -2.90 3.27 0.00 8.40 0.04 -1.26 -3.52 135.00 139.03 1xsk s PRO 19 Ca 0.17 -0.26 0.23 0.00 0.04 0.00 0.00 61.00 61.18 1xsk s PRO 19 Cb -0.05 -4.13 0.14 0.00 0.04 0.00 0.00 34.50 30.50 1xsk s PRO 19 CO 0.07 -1.84 1.17 1.28 0.04 0.00 0.00 177.00 177.71 1xsk n LEU 20 N 8.44 1.23 -3.64 -3.56 4.77 -0.02 -4.73 117.00 119.48 1xsk n LEU 20 Ca 0.02 -0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 55.49 1xsk n LEU 20 Cb 0.48 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1xsk n LEU 20 CO 0.68 0.26 0.48 -1.58 -1.33 0.00 0.00 177.39 175.90 1xsk s GLN 21 N -2.75 0.62 0.17 3.23 0.74 -0.83 -4.21 119.66 116.61 1xsk s GLN 21 Ca 0.15 1.00 -0.31 0.00 0.05 0.00 0.00 55.36 56.24 1xsk s GLN 21 Cb 0.17 0.16 -0.10 0.00 1.10 0.00 0.00 33.01 34.35 1xsk s GLN 21 CO 0.69 -0.12 1.52 0.08 -0.55 0.00 0.00 175.29 176.91 1xsk s VAL 22 N 1.32 2.76 -0.15 1.34 1.01 -1.26 -1.38 120.40 124.03 1xsk s VAL 22 Ca -0.08 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1xsk s VAL 22 Cb -0.05 -3.36 -0.15 0.00 0.00 0.00 0.00 36.38 32.83 1xsk s VAL 22 CO -0.15 0.05 -0.04 0.33 0.00 0.00 0.00 175.10 175.29 1xsk n PHE 23 N 3.76 0.00 -3.62 5.22 7.35 0.85 -4.62 117.46 126.40 1xsk n PHE 23 Ca 0.12 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.71 1xsk n PHE 23 Cb 0.39 -0.68 -0.07 0.00 0.35 0.00 0.00 39.48 39.48 1xsk n PHE 23 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xsk s GLU 24 N -2.34 0.58 -0.00 -4.13 2.12 -1.11 -5.00 118.70 108.81 1xsk s GLU 24 Ca -0.14 0.56 0.06 0.00 0.36 0.00 0.00 54.97 55.82 1xsk s GLU 24 Cb 0.05 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.69 1xsk s GLU 24 CO 0.50 -0.09 -0.19 0.08 -0.54 0.00 0.00 175.26 175.01 1xsk s VAL 25 N -0.01 2.64 -0.08 3.70 1.01 -1.26 -0.90 120.40 125.50 1xsk s VAL 25 Ca 0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1xsk s VAL 25 Cb -0.04 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1xsk s VAL 25 CO -0.04 0.49 0.22 -0.70 0.00 0.00 0.00 175.10 175.07 1xsk s GLU 26 N -0.98 0.25 -0.16 2.72 2.12 0.79 -5.01 118.70 118.42 1xsk s GLU 26 Ca 0.12 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.71 1xsk s GLU 26 Cb -0.10 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.34 1xsk s GLU 26 CO 0.02 -0.04 0.05 -1.14 -0.54 0.00 0.00 175.26 173.61 1xsk s GLN 27 N 0.23 3.81 -0.22 4.30 0.74 -1.26 0.20 119.66 127.46 1xsk s GLN 27 Ca -0.01 -0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.04 1xsk s GLN 27 Cb -0.02 -3.14 0.06 0.00 1.10 0.00 0.00 33.01 31.01 1xsk s GLN 27 CO -0.01 0.35 -0.01 -0.65 -0.55 0.00 0.00 175.29 174.42 1xsk s GLN 28 N 0.13 1.22 7.18 1.67 -0.21 -0.27 -4.99 119.66 124.40 1xsk s GLN 28 Ca 0.04 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.63 1xsk s GLN 28 Cb -0.12 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1xsk s GLN 28 CO 0.01 -0.63 0.00 -0.25 -2.12 0.00 0.00 175.29 172.30 1xsk n ASP 29 N 4.82 0.00 -1.88 5.90 8.00 -1.26 -0.88 116.55 131.24 1xsk n ASP 29 Ca -0.10 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.19 1xsk n ASP 29 Cb 0.45 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.69 1xsk n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1xsk n ASN 30 N 7.70 4.49 -4.23 -2.24 6.94 -1.26 -4.96 115.26 121.70 1xsk n ASN 30 Ca 0.00 -3.74 -0.20 0.00 -0.02 0.00 0.00 54.58 50.62 1xsk n ASN 30 Cb 0.00 -0.74 -0.12 0.00 -2.36 0.00 0.00 39.78 36.56 1xsk n ASN 30 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xsk s GLU 31 N -3.46 0.99 -0.23 -3.83 2.02 -0.06 -4.70 118.70 109.43 1xsk s GLU 31 Ca 0.54 -1.11 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 1xsk s GLU 31 Cb 0.45 -1.06 0.02 0.00 0.10 0.00 0.00 34.13 33.65 1xsk s GLU 31 CO 0.03 0.23 -0.09 1.41 0.02 0.00 0.00 175.26 176.86 1xsk s MET 32 N -2.04 2.90 -0.16 1.61 -2.45 -0.47 -1.11 119.30 117.58 1xsk s MET 32 Ca 0.04 -0.92 -0.07 0.00 -1.25 0.00 0.00 55.69 53.49 1xsk s MET 32 Cb -0.09 -2.89 -0.04 0.00 1.25 0.00 0.00 34.83 33.06 1xsk s MET 32 CO 0.03 -0.34 0.08 0.08 1.05 0.00 0.00 175.02 175.92 1xsk s VAL 33 N 1.32 4.96 -0.10 10.11 1.01 0.13 -0.48 120.40 137.35 1xsk s VAL 33 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1xsk s VAL 33 Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1xsk s VAL 33 CO -0.06 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.72 1xsk s VAL 34 N 0.00 1.32 -0.24 2.92 1.01 0.12 -0.15 120.40 125.37 1xsk s VAL 34 Ca 0.07 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1xsk s VAL 34 Cb -0.12 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1xsk s VAL 34 CO 0.01 0.41 0.18 -0.31 0.00 0.00 0.00 175.10 175.38 1xsk s TYR 35 N 1.05 3.31 0.02 5.22 2.02 -0.08 -0.27 117.35 128.62 1xsk s TYR 35 Ca -0.06 0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.94 1xsk s TYR 35 Cb -0.15 -2.30 -0.02 0.00 -0.40 0.00 0.00 41.96 39.10 1xsk s TYR 35 CO -0.02 0.04 -0.19 0.00 -1.57 0.00 0.00 175.55 173.81 1xsk s ALA 36 N 1.15 1.63 0.02 3.71 0.00 0.56 -0.10 121.76 128.73 1xsk s ALA 36 Ca 0.08 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1xsk s ALA 36 Cb -0.14 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1xsk s ALA 36 CO 0.05 0.37 0.06 0.00 0.00 0.00 0.00 175.76 176.24 1xsk s ALA 37 N -0.66 3.48 -2.00 0.00 0.00 -0.48 -0.36 121.76 121.75 1xsk s ALA 37 Ca 0.07 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1xsk s ALA 37 Cb -0.08 -1.46 0.53 0.00 0.00 0.00 0.00 23.12 22.11 1xsk s ALA 37 CO 0.01 0.69 0.95 -2.30 0.00 0.00 0.00 175.76 175.11 1xsk n PRO 38 N 1.03 0.37 -0.85 0.00 -0.02 -1.23 -0.84 135.00 133.47 1xsk n PRO 38 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1xsk n PRO 38 Cb 0.52 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1xsk n PRO 38 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xsk n ARG 39 N -0.87 0.00 -2.71 -0.52 1.85 -1.26 -4.54 116.66 108.60 1xsk n ARG 39 Ca 0.07 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.49 1xsk n ARG 39 Cb 0.03 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.41 1xsk n ARG 39 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1xsk s ASP 40 N -0.46 6.61 -0.18 2.89 -1.08 -1.26 -4.47 116.67 118.72 1xsk s ASP 40 Ca 0.00 0.39 0.14 0.00 -0.52 0.00 0.00 52.55 52.56 1xsk s ASP 40 Cb 0.00 -2.50 0.37 0.00 -1.46 0.00 0.00 42.92 39.33 1xsk s ASP 40 CO 0.00 -1.10 1.20 1.33 0.52 0.00 0.00 175.17 177.13 1xsk n VAL 41 N 6.50 2.10 0.96 1.11 0.24 -1.26 -4.72 118.33 123.26 1xsk n VAL 41 Ca 0.09 -2.82 0.00 0.00 -2.04 0.00 0.00 64.34 59.57 1xsk n VAL 41 Cb 0.49 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 1xsk n VAL 41 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xsk n ARG 42 N -1.24 0.96 -3.67 7.34 1.74 -1.26 -4.58 116.66 115.96 1xsk n ARG 42 Ca 0.18 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 1xsk n ARG 42 Cb 0.69 -1.03 -0.13 0.00 -1.02 0.00 0.00 32.46 30.97 1xsk n ARG 42 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1xsk s GLU 43 N 0.01 0.18 0.00 5.56 2.02 -1.26 -5.01 118.70 120.20 1xsk s GLU 43 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.76 1xsk s GLU 43 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1xsk s GLU 43 CO 0.00 -0.26 0.14 0.54 0.02 0.00 0.00 175.26 175.70 1xsk n ARG 44 N 5.21 0.21 -0.06 1.61 1.74 -1.26 -0.27 116.66 123.83 1xsk n ARG 44 Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.93 1xsk n ARG 44 Cb 0.50 -1.07 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 1xsk n ARG 44 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1xsk n THR 45 N 0.08 0.87 0.64 0.55 5.66 -1.26 -4.37 114.28 116.45 1xsk n THR 45 Ca 0.00 -0.53 0.09 0.00 -3.05 0.00 0.00 64.05 60.56 1xsk n THR 45 Cb 0.03 -0.67 0.10 0.00 -1.55 0.00 0.00 70.33 68.25 1xsk n THR 45 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1xsk n TRP 46 N -2.47 0.11 0.07 1.09 7.02 0.62 -4.56 117.44 119.31 1xsk n TRP 46 Ca -0.21 -0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 1xsk n TRP 46 Cb 0.91 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.80 1xsk n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xsk n GLN 47 N 1.08 0.97 -3.55 -0.99 6.02 -0.46 -4.75 117.38 115.70 1xsk n GLN 47 Ca 0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.97 1xsk n GLN 47 Cb 0.48 -1.02 -0.06 0.00 1.02 0.00 0.00 30.24 30.67 1xsk n GLN 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1xsk s LEU 48 N 0.00 -0.53 -0.38 1.08 2.34 -1.26 -5.00 118.68 114.93 1xsk s LEU 48 Ca 0.00 0.60 -0.01 0.00 0.06 0.00 0.00 54.13 54.79 1xsk s LEU 48 Cb 0.00 2.23 0.00 0.00 -0.56 0.00 0.00 46.19 47.86 1xsk s LEU 48 CO 0.00 -0.47 0.32 0.47 -1.06 0.00 0.00 176.35 175.61 1xsk n ASP 49 N 0.91 -2.41 -3.55 1.48 8.00 -1.26 -5.07 116.55 114.66 1xsk n ASP 49 Ca -0.15 -0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.02 1xsk n ASP 49 Cb 0.57 -1.90 -0.06 0.00 -0.02 0.00 0.00 41.12 39.71 1xsk n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xsk s THR 50 N -3.11 0.00 0.82 -3.53 -1.32 -1.26 -5.17 115.64 102.07 1xsk s THR 50 Ca 0.05 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 1xsk s THR 50 Cb -0.02 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.05 1xsk s THR 50 CO 0.22 0.00 1.17 -2.84 -2.21 0.00 0.00 174.62 170.96 1xsk s PRO 51 N -1.03 1.65 -0.24 7.08 0.02 -1.26 -5.02 135.00 136.20 1xsk s PRO 51 Ca -0.07 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 62.52 1xsk s PRO 51 Cb -0.01 -1.79 0.09 0.00 0.02 0.00 0.00 34.50 32.81 1xsk s PRO 51 CO 0.07 -2.17 0.15 -1.17 -0.33 0.00 0.00 177.00 173.54 1xsk s LEU 52 N -5.88 0.29 0.28 -5.54 1.98 -1.26 -4.05 118.68 104.51 1xsk s LEU 52 Ca 0.70 -0.86 -0.29 0.00 -2.89 0.00 0.00 54.13 50.79 1xsk s LEU 52 Cb -0.25 -0.11 -0.09 0.00 0.66 0.00 0.00 46.19 46.40 1xsk s LEU 52 CO 0.52 -0.39 1.04 -0.36 -1.89 0.00 0.00 176.35 175.27 1xsk s PHE 53 N 2.18 3.67 -0.22 5.38 0.40 0.51 -4.86 117.98 125.03 1xsk s PHE 53 Ca 0.07 1.76 -0.01 0.00 -0.60 0.00 0.00 56.93 58.15 1xsk s PHE 53 Cb -0.16 -3.16 0.02 0.00 0.51 0.00 0.00 43.02 40.23 1xsk s PHE 53 CO -0.24 -0.23 -0.10 0.99 0.70 0.00 0.00 175.22 176.34 1xsk s THR 54 N -1.24 2.70 -0.23 0.64 2.01 -0.99 -0.32 115.64 118.20 1xsk s THR 54 Ca 0.45 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1xsk s THR 54 Cb -0.29 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1xsk s THR 54 CO 0.36 0.34 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.88 1xsk s LEU 55 N 1.34 3.12 -0.12 4.42 1.02 0.62 -1.46 118.68 127.63 1xsk s LEU 55 Ca 0.02 -0.36 -0.02 0.00 0.02 0.00 0.00 54.13 53.79 1xsk s LEU 55 Cb -0.15 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 1xsk s LEU 55 CO -0.07 -0.04 -0.04 -0.60 0.02 0.00 0.00 176.35 175.63 1xsk s ARG 56 N 1.52 3.26 -0.18 1.70 3.52 -0.29 0.11 118.95 128.59 1xsk s ARG 56 Ca 0.06 -0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 55.15 1xsk s ARG 56 Cb -0.15 -2.79 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1xsk s ARG 56 CO -0.01 0.46 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.72 1xsk s PHE 57 N -0.23 2.81 0.19 5.12 0.08 0.37 -1.16 117.98 125.16 1xsk s PHE 57 Ca 0.04 -1.34 -0.02 0.00 0.12 0.00 0.00 56.93 55.73 1xsk s PHE 57 Cb -0.13 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 1xsk s PHE 57 CO 0.02 -0.67 0.15 -0.59 -0.10 0.00 0.00 175.22 174.04 1xsk s PHE 58 N 1.20 1.03 -0.18 0.36 -0.71 -0.79 -1.37 117.98 117.51 1xsk s PHE 58 Ca 0.02 -1.29 -0.01 0.00 -1.04 0.00 0.00 56.93 54.61 1xsk s PHE 58 Cb -0.14 -0.47 0.05 0.00 -1.21 0.00 0.00 43.02 41.25 1xsk s PHE 58 CO -0.07 -0.65 -0.01 0.45 -1.34 0.00 0.00 175.22 173.59 1xsk s SER 59 N -3.13 2.91 0.16 1.98 0.15 -1.26 0.59 113.70 115.09 1xsk s SER 59 Ca 0.35 -0.76 0.08 0.00 0.70 0.00 0.00 55.95 56.32 1xsk s SER 59 Cb 0.06 -0.77 -0.08 0.00 -1.71 0.00 0.00 66.02 63.52 1xsk s SER 59 CO 0.10 -0.25 1.36 1.55 1.20 0.00 0.00 173.24 177.20 1xsk h PRO 60 N 8.17 0.00 -3.38 5.44 0.13 -1.82 -3.43 132.00 137.11 1xsk h PRO 60 Ca -0.19 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1xsk h PRO 60 Cb 1.11 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.07 1xsk h PRO 60 CO 0.36 0.91 -0.29 -0.65 -0.23 0.00 0.00 178.00 178.11 1xsk s GLN 61 N -2.92 0.78 0.24 0.86 -1.52 -1.26 -1.82 119.66 114.02 1xsk s GLN 61 Ca 0.00 -0.55 -0.31 0.00 -1.95 0.00 0.00 55.36 52.56 1xsk s GLN 61 Cb 0.11 0.33 -0.14 0.00 -0.22 0.00 0.00 33.01 33.09 1xsk s GLN 61 CO 0.81 -0.25 1.35 -1.91 -0.25 0.00 0.00 175.29 175.04 1xsk n GLU 62 N 0.59 1.89 -0.86 2.91 0.00 -1.26 -1.36 120.64 122.56 1xsk n GLU 62 Ca -0.19 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.65 1xsk n GLU 62 Cb 0.59 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.74 1xsk n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xsk n GLY 63 N 2.01 0.90 3.09 8.31 0.00 -1.13 -4.95 105.19 113.41 1xsk n GLY 63 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1xsk n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsk s ILE 64 N -3.56 1.63 -0.22 -0.61 1.01 -0.46 -1.80 121.20 117.20 1xsk s ILE 64 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1xsk s ILE 64 Cb 0.00 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1xsk s ILE 64 CO 0.00 0.47 -0.04 -0.69 0.00 0.00 0.00 174.94 174.67 1xsk s VAL 65 N 0.89 3.33 0.02 2.92 1.01 -0.79 -4.06 120.40 123.72 1xsk s VAL 65 Ca -0.08 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1xsk s VAL 65 Cb -0.15 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1xsk s VAL 65 CO -0.01 0.40 0.45 -0.83 0.00 0.00 0.00 175.10 175.12 1xsk s GLY 66 N 1.47 2.53 -0.14 4.51 0.00 0.20 -1.61 107.32 114.27 1xsk s GLY 66 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1xsk s GLY 66 CO -0.03 0.23 -0.14 0.14 0.00 0.00 0.00 173.10 173.30 1xsk s VAL 67 N -1.10 1.49 -0.29 1.40 1.01 0.40 -1.88 120.40 121.43 1xsk s VAL 67 Ca 0.25 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1xsk s VAL 67 Cb -0.17 -1.40 0.07 0.00 0.00 0.00 0.00 36.38 34.87 1xsk s VAL 67 CO 0.15 0.44 -0.03 -0.60 0.00 0.00 0.00 175.10 175.06 1xsk s ARG 68 N 1.42 2.16 -0.29 2.72 3.52 -0.31 -1.45 118.95 126.73 1xsk s ARG 68 Ca 0.03 -1.44 -0.10 0.00 -0.13 0.00 0.00 55.73 54.09 1xsk s ARG 68 Cb -0.13 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 1xsk s ARG 68 CO -0.09 -0.67 0.16 0.42 -0.81 0.00 0.00 175.30 174.31 1xsk s ILE 69 N 1.11 4.90 0.07 4.11 1.01 0.24 -1.14 121.20 131.51 1xsk s ILE 69 Ca -0.04 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.57 1xsk s ILE 69 Cb -0.20 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1xsk s ILE 69 CO -0.04 0.19 -0.16 -1.83 0.00 0.00 0.00 174.94 173.09 1xsk s GLU 70 N 1.69 0.96 0.00 2.79 -1.05 -0.53 0.92 118.70 123.47 1xsk s GLU 70 Ca 0.06 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 1xsk s GLU 70 Cb -0.16 -1.05 0.00 0.00 -0.44 0.00 0.00 34.13 32.48 1xsk s GLU 70 CO 0.08 0.24 0.00 1.58 0.95 0.00 0.00 175.26 178.11 1xsk n HIS 71 N 1.36 0.00 -3.12 4.83 -0.00 -0.04 -2.34 115.22 115.91 1xsk n HIS 71 Ca -0.20 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.13 1xsk n HIS 71 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.47 1xsk n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1xsk s PHE 72 N 0.60 3.77 -0.98 1.57 0.08 -1.25 -4.85 117.98 116.92 1xsk s PHE 72 Ca 0.00 1.38 0.22 0.00 0.12 0.00 0.00 56.93 58.65 1xsk s PHE 72 Cb 0.00 -2.67 -0.02 0.00 -0.57 0.00 0.00 43.02 39.76 1xsk s PHE 72 CO 0.00 0.42 1.04 1.04 -0.10 0.00 0.00 175.22 177.62 1xsk n GLN 73 N 2.28 0.01 0.00 0.44 6.02 -1.26 -4.31 117.38 120.57 1xsk n GLN 73 Ca -0.06 -0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.05 1xsk n GLN 73 Cb 0.50 -1.50 0.76 0.00 1.02 0.00 0.00 30.24 31.02 1xsk n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsk n GLY 74 N 1.49 -0.91 3.73 1.08 0.00 -1.26 -4.88 105.19 104.45 1xsk n GLY 74 Ca 0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1xsk n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsk s ALA 75 N -2.00 1.94 0.01 4.61 0.00 -1.26 -5.00 121.76 120.07 1xsk s ALA 75 Ca 0.39 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.42 1xsk s ALA 75 Cb 0.18 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.81 1xsk s ALA 75 CO 0.30 -2.12 1.28 -0.07 0.00 0.00 0.00 175.76 175.15 1xsk h LEU 76 N -1.39 -0.31 -2.80 0.00 3.38 -1.98 -3.49 115.31 108.73 1xsk h LEU 76 Ca -0.44 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.19 1xsk h LEU 76 Cb 1.25 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1xsk h LEU 76 CO 0.49 0.04 -0.48 0.59 0.09 0.00 0.00 178.44 179.17 1xsk n ASN 77 N -5.11 -6.91 -4.95 -0.43 5.03 -1.26 -5.02 115.26 96.61 1xsk n ASN 77 Ca -0.09 -0.17 -0.22 0.00 0.87 0.00 0.00 54.58 54.96 1xsk n ASN 77 Cb 0.25 -4.11 0.05 0.00 -1.02 0.00 0.00 39.78 34.94 1xsk n ASN 77 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xsk s ASN 78 N -2.77 5.12 1.12 6.41 0.01 -1.26 -5.10 114.94 118.46 1xsk s ASN 78 Ca 0.09 0.10 -0.17 0.00 -0.71 0.00 0.00 52.86 52.16 1xsk s ASN 78 Cb -0.02 -0.90 0.24 0.00 0.41 0.00 0.00 41.25 40.99 1xsk s ASN 78 CO 0.80 -1.29 1.10 0.61 -1.51 0.00 0.00 177.10 176.81 1xsk n GLY 79 N -2.51 -2.15 3.91 0.66 0.00 -1.26 -4.68 105.19 99.16 1xsk n GLY 79 Ca 0.08 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1xsk n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xsk s PRO 80 N -5.45 3.56 0.27 1.61 0.04 -1.26 -0.61 135.00 133.17 1xsk s PRO 80 Ca 0.67 0.11 0.11 0.00 0.04 0.00 0.00 61.00 61.92 1xsk s PRO 80 Cb -0.04 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1xsk s PRO 80 CO 0.49 -0.09 -0.12 -1.01 0.04 0.00 0.00 177.00 176.31 1xsk s HIS 81 N -2.58 2.46 0.56 0.56 3.76 -1.26 -4.83 115.29 113.97 1xsk s HIS 81 Ca 0.46 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.88 1xsk s HIS 81 Cb -0.10 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 1xsk s HIS 81 CO 0.41 0.68 1.30 0.71 -0.85 0.00 0.00 174.74 176.99 1xsk s TYR 82 N -2.43 2.33 -1.45 1.40 2.02 -1.26 -4.88 117.35 113.08 1xsk s TYR 82 Ca 0.31 1.44 -0.11 0.00 -0.37 0.00 0.00 57.07 58.33 1xsk s TYR 82 Cb -0.06 -3.68 -0.05 0.00 -0.40 0.00 0.00 41.96 37.77 1xsk s TYR 82 CO 0.17 -2.63 2.59 -0.35 -1.57 0.00 0.00 175.55 173.76 1xsk n PRO 83 N -1.22 3.14 -2.68 -1.71 -0.04 -1.26 -4.95 135.00 126.28 1xsk n PRO 83 Ca 0.12 -2.22 -0.36 0.00 -0.04 0.00 0.00 63.50 61.00 1xsk n PRO 83 Cb 0.47 -2.92 -0.05 0.00 -0.04 0.00 0.00 33.50 30.96 1xsk n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsk s LEU 84 N 0.83 4.21 -0.43 1.53 1.02 -1.26 -4.74 118.68 119.83 1xsk s LEU 84 Ca 0.59 1.91 -0.18 0.00 0.02 0.00 0.00 54.13 56.47 1xsk s LEU 84 Cb 0.16 -4.15 0.02 0.00 0.02 0.00 0.00 46.19 42.24 1xsk s LEU 84 CO -0.06 -0.29 0.47 0.20 0.02 0.00 0.00 176.35 176.69 1xsk s ASN 85 N -1.65 6.21 -0.17 2.29 0.01 0.38 -5.02 114.94 116.98 1xsk s ASN 85 Ca 0.55 -0.66 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 1xsk s ASN 85 Cb -0.19 -2.24 0.01 0.00 0.41 0.00 0.00 41.25 39.24 1xsk s ASN 85 CO 0.24 -0.62 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.40 1xsk s ILE 86 N 2.22 2.31 0.22 0.60 1.01 -1.26 -4.79 121.20 121.51 1xsk s ILE 86 Ca 0.13 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1xsk s ILE 86 Cb -0.17 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1xsk s ILE 86 CO 0.14 0.53 0.38 -0.76 0.00 0.00 0.00 174.94 175.23 1xsk s LEU 87 N 1.05 4.24 0.00 2.97 1.43 -0.75 -5.02 118.68 122.60 1xsk s LEU 87 Ca -0.01 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1xsk s LEU 87 Cb -0.14 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 1xsk s LEU 87 CO -0.06 -0.06 0.50 0.00 0.23 0.00 0.00 176.35 176.96 1xsk n GLN 88 N -0.91 2.55 -0.40 1.70 1.13 -1.26 -4.62 117.38 115.57 1xsk n GLN 88 Ca -0.06 -0.45 0.08 0.00 -1.94 0.00 0.00 57.00 54.63 1xsk n GLN 88 Cb 0.55 -0.97 0.25 0.00 0.11 0.00 0.00 30.24 30.18 1xsk n GLN 88 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xsk n ASP 89 N -0.41 3.79 -4.68 1.08 5.75 -1.26 -5.00 116.55 115.82 1xsk n ASP 89 Ca 0.03 -2.49 -0.42 0.00 -0.01 0.00 0.00 54.79 51.90 1xsk n ASP 89 Cb 0.14 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 1xsk n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xsk s VAL 90 N -1.89 2.84 0.07 2.12 1.01 -1.26 -4.92 120.40 118.37 1xsk s VAL 90 Ca 0.38 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 1xsk s VAL 90 Cb 0.26 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 1xsk s VAL 90 CO 0.16 -0.00 1.35 -0.75 0.00 0.00 0.00 175.10 175.85 1xsk s LYS 91 N 3.03 4.34 0.30 2.72 2.20 -1.26 -4.99 119.74 126.07 1xsk s LYS 91 Ca 0.79 1.97 0.04 0.00 -0.36 0.00 0.00 55.97 58.41 1xsk s LYS 91 Cb -0.43 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1xsk s LYS 91 CO 0.35 -0.43 0.19 0.14 -0.36 0.00 0.00 175.35 175.24 1xsk s VAL 92 N 1.44 0.19 -0.05 4.02 -7.23 -1.26 -4.54 120.40 112.97 1xsk s VAL 92 Ca 0.63 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1xsk s VAL 92 Cb -0.34 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.12 1xsk s VAL 92 CO 0.29 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.11 1xsk s THR 93 N -3.63 0.78 -0.09 5.32 2.01 -0.42 -4.97 115.64 114.63 1xsk s THR 93 Ca 0.37 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1xsk s THR 93 Cb 0.04 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.81 1xsk s THR 93 CO 0.19 0.28 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.62 1xsk s ILE 94 N 0.78 1.39 -0.18 1.82 1.01 -1.26 -0.70 121.20 124.06 1xsk s ILE 94 Ca -0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1xsk s ILE 94 Cb -0.15 -1.27 0.07 0.00 0.01 0.00 0.00 42.46 41.12 1xsk s ILE 94 CO 0.02 0.42 0.10 -1.83 0.00 0.00 0.00 174.94 173.65 1xsk s GLU 95 N 0.84 0.08 -0.47 2.79 -1.05 -0.78 -5.01 118.70 115.10 1xsk s GLU 95 Ca -0.10 -0.09 -0.18 0.00 -0.15 0.00 0.00 54.97 54.45 1xsk s GLU 95 Cb -0.15 -1.72 0.05 0.00 -0.44 0.00 0.00 34.13 31.87 1xsk s GLU 95 CO 0.01 -0.70 0.52 1.21 0.95 0.00 0.00 175.26 177.25 1xsk s ASN 96 N 2.15 6.20 0.46 0.83 2.47 -1.26 -2.22 114.94 123.57 1xsk s ASN 96 Ca 0.03 -0.95 0.08 0.00 0.42 0.00 0.00 52.86 52.44 1xsk s ASN 96 Cb -0.16 -2.25 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 1xsk s ASN 96 CO -0.12 -0.75 0.46 0.42 -3.72 0.00 0.00 177.10 173.39 1xsk s THR 97 N 2.26 2.47 0.18 -5.21 -4.23 0.82 -5.00 115.64 106.92 1xsk s THR 97 Ca 0.12 -1.28 0.29 0.00 -1.18 0.00 0.00 61.69 59.64 1xsk s THR 97 Cb -0.20 -2.75 0.32 0.00 1.34 0.00 0.00 72.50 71.21 1xsk s THR 97 CO 0.11 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.06 1xsk h GLU 98 N 0.83 0.00 0.05 3.99 4.57 -2.03 -3.23 114.58 118.76 1xsk h GLU 98 Ca -0.39 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.43 1xsk h GLU 98 Cb 1.28 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.82 1xsk h GLU 98 CO 0.54 0.11 -2.18 -2.13 -1.18 0.00 0.00 179.01 174.16 1xsk n ARG 99 N -3.28 0.69 -4.20 1.92 0.63 -1.26 -4.79 116.66 106.37 1xsk n ARG 99 Ca -0.00 0.19 -0.13 0.00 -0.92 0.00 0.00 57.85 56.98 1xsk n ARG 99 Cb 0.34 -1.63 -0.09 0.00 0.45 0.00 0.00 32.46 31.53 1xsk n ARG 99 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xsk s TYR 100 N -2.54 1.22 -0.05 -0.14 4.12 -1.22 -1.22 117.35 117.52 1xsk s TYR 100 Ca -0.22 -1.39 0.01 0.00 0.02 0.00 0.00 57.07 55.49 1xsk s TYR 100 Cb 0.08 -0.52 0.02 0.00 -1.52 0.00 0.00 41.96 40.02 1xsk s TYR 100 CO 0.73 -0.74 -0.07 0.00 0.02 0.00 0.00 175.55 175.49 1xsk s ALA 101 N -3.95 0.87 -0.01 3.71 0.00 -0.76 -0.13 121.76 121.49 1xsk s ALA 101 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1xsk s ALA 101 Cb 0.05 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1xsk s ALA 101 CO 0.15 0.03 0.01 -2.00 0.00 0.00 0.00 175.76 173.96 1xsk s GLU 102 N 0.82 0.04 -0.11 0.00 2.12 -0.94 -0.50 118.70 120.13 1xsk s GLU 102 Ca -0.12 0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.31 1xsk s GLU 102 Cb -0.15 -0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 1xsk s GLU 102 CO 0.01 -0.08 -0.18 0.12 -0.54 0.00 0.00 175.26 174.59 1xsk s PHE 103 N 0.57 2.69 -0.03 5.30 5.36 0.12 -1.87 117.98 130.12 1xsk s PHE 103 Ca -0.05 -0.75 0.02 0.00 -0.96 0.00 0.00 56.93 55.18 1xsk s PHE 103 Cb -0.07 -1.77 0.01 0.00 -0.34 0.00 0.00 43.02 40.85 1xsk s PHE 103 CO -0.01 -0.26 -0.05 0.21 -1.46 0.00 0.00 175.22 173.64 1xsk s LYS 104 N 0.24 0.70 -0.20 10.12 2.20 0.12 0.49 119.74 133.42 1xsk s LYS 104 Ca -0.12 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1xsk s LYS 104 Cb -0.16 -0.70 0.06 0.00 -1.51 0.00 0.00 37.83 35.51 1xsk s LYS 104 CO 0.06 0.02 -0.01 0.45 -0.36 0.00 0.00 175.35 175.51 1xsk s SER 105 N 0.45 3.16 1.28 1.43 0.15 0.37 -1.30 113.70 119.24 1xsk s SER 105 Ca -0.06 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1xsk s SER 105 Cb -0.10 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 1xsk s SER 105 CO 0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1xsk n GLY 106 N 4.90 2.38 0.23 9.45 0.00 -1.26 -2.57 105.19 118.32 1xsk n GLY 106 Ca -0.10 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1xsk n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsk n ASN 107 N 8.25 1.36 -4.80 1.61 5.03 -1.26 -4.95 115.26 120.50 1xsk n ASN 107 Ca 0.00 -1.18 -0.37 0.00 0.87 0.00 0.00 54.58 53.90 1xsk n ASN 107 Cb 0.00 0.71 -0.06 0.00 -1.02 0.00 0.00 39.78 39.41 1xsk n ASN 107 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xsk s LEU 108 N -2.49 4.35 0.08 3.41 2.96 -1.06 -1.18 118.68 124.74 1xsk s LEU 108 Ca 0.11 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1xsk s LEU 108 Cb 0.14 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1xsk s LEU 108 CO 0.59 0.25 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.88 1xsk s SER 109 N -0.40 0.86 -0.15 3.68 1.04 -0.21 -0.48 113.70 118.05 1xsk s SER 109 Ca 0.18 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.66 1xsk s SER 109 Cb -0.14 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1xsk s SER 109 CO 0.07 -0.49 -0.18 0.00 0.98 0.00 0.00 173.24 173.61 1xsk s ALA 110 N -3.53 2.38 -0.11 5.32 0.00 0.18 -1.11 121.76 124.89 1xsk s ALA 110 Ca 0.08 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1xsk s ALA 110 Cb 0.05 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 22.06 1xsk s ALA 110 CO -0.06 -0.04 -0.17 0.50 0.00 0.00 0.00 175.76 175.99 1xsk s ARG 111 N 0.83 2.37 -0.21 0.00 3.52 0.20 -0.70 118.95 124.96 1xsk s ARG 111 Ca -0.06 -0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 54.87 1xsk s ARG 111 Cb -0.15 -1.99 -0.02 0.00 -1.56 0.00 0.00 34.95 31.23 1xsk s ARG 111 CO -0.01 -0.05 0.01 0.08 -0.81 0.00 0.00 175.30 174.52 1xsk s VAL 112 N 0.94 3.98 0.06 7.11 1.01 0.35 -0.60 120.40 133.24 1xsk s VAL 112 Ca -0.07 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1xsk s VAL 112 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1xsk s VAL 112 CO -0.01 0.41 1.14 -0.44 0.00 0.00 0.00 175.10 176.20 1xsk s SER 113 N 1.12 7.16 0.56 3.32 0.01 0.29 -1.83 113.70 124.33 1xsk s SER 113 Ca 0.03 1.94 -0.03 0.00 1.31 0.00 0.00 55.95 59.19 1xsk s SER 113 Cb -0.14 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1xsk s SER 113 CO 0.02 -0.40 0.84 -0.54 0.41 0.00 0.00 173.24 173.57 1xsk s LYS 114 N 0.93 2.81 0.06 12.44 1.02 -0.35 -4.07 119.74 132.58 1xsk s LYS 114 Ca 0.56 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1xsk s LYS 114 Cb -0.27 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1xsk s LYS 114 CO 0.29 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 1xsk n GLY 115 N -2.47 -1.53 0.13 -3.33 0.00 -1.26 -4.40 105.19 92.33 1xsk n GLY 115 Ca 0.05 -1.46 -0.00 0.00 0.00 0.00 0.00 46.02 44.60 1xsk n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xsk n GLU 116 N -1.84 -0.07 -2.66 1.61 4.07 -1.26 -3.42 120.64 117.07 1xsk n GLU 116 Ca -0.00 0.52 -0.42 0.00 -0.06 0.00 0.00 57.16 57.20 1xsk n GLU 116 Cb 0.12 -0.77 -0.02 0.00 -0.06 0.00 0.00 31.44 30.71 1xsk n GLU 116 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1xsk s PHE 117 N -5.33 2.77 0.31 4.31 0.08 -1.26 -4.90 117.98 113.97 1xsk s PHE 117 Ca -0.05 -1.26 -0.29 0.00 0.12 0.00 0.00 56.93 55.46 1xsk s PHE 117 Cb 0.07 -4.62 -0.10 0.00 -0.57 0.00 0.00 43.02 37.80 1xsk s PHE 117 CO 0.24 -1.79 1.27 -0.46 -0.10 0.00 0.00 175.22 174.39 1xsk s TRP 118 N 4.12 3.16 -0.29 0.36 -0.11 -1.22 -4.55 118.94 120.42 1xsk s TRP 118 Ca 0.46 1.45 -0.16 0.00 1.22 0.00 0.00 56.10 59.07 1xsk s TRP 118 Cb 0.00 -3.60 0.11 0.00 -1.50 0.00 0.00 33.47 28.48 1xsk s TRP 118 CO -0.04 -1.63 0.83 0.45 -4.62 0.00 0.00 176.95 171.94 1xsk s SER 119 N -0.49 -0.74 -0.25 5.86 0.15 -1.26 -4.03 113.70 112.95 1xsk s SER 119 Ca 0.49 1.17 -0.04 0.00 0.70 0.00 0.00 55.95 58.27 1xsk s SER 119 Cb -0.38 1.34 0.01 0.00 -1.71 0.00 0.00 66.02 65.27 1xsk s SER 119 CO 0.50 -0.18 -0.01 -0.22 1.20 0.00 0.00 173.24 174.52 1xsk s LEU 120 N 1.55 3.28 -0.03 3.45 0.20 -0.80 -0.55 118.68 125.78 1xsk s LEU 120 Ca -0.09 -0.65 0.06 0.00 0.69 0.00 0.00 54.13 54.14 1xsk s LEU 120 Cb -0.05 -1.76 -0.01 0.00 -0.43 0.00 0.00 46.19 43.95 1xsk s LEU 120 CO -0.18 -0.11 -0.20 -1.81 -0.29 0.00 0.00 176.35 173.77 1xsk s ASP 121 N 1.43 2.45 -0.21 3.68 1.01 0.23 -0.39 116.67 124.87 1xsk s ASP 121 Ca 0.03 -0.39 -0.06 0.00 0.71 0.00 0.00 52.55 52.84 1xsk s ASP 121 Cb -0.16 -0.50 -0.02 0.00 1.01 0.00 0.00 42.92 43.24 1xsk s ASP 121 CO -0.02 0.22 0.02 -0.36 0.21 0.00 0.00 175.17 175.23 1xsk s PHE 122 N -0.23 3.05 0.09 4.23 0.08 -0.35 0.60 117.98 125.46 1xsk s PHE 122 Ca 0.01 -0.47 0.10 0.00 0.12 0.00 0.00 56.93 56.69 1xsk s PHE 122 Cb -0.10 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1xsk s PHE 122 CO 0.01 -0.28 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.09 1xsk s LEU 123 N 1.19 2.26 -0.25 -0.37 2.01 -0.27 -1.90 118.68 121.35 1xsk s LEU 123 Ca 0.03 -0.67 -0.02 0.00 0.01 0.00 0.00 54.13 53.48 1xsk s LEU 123 Cb -0.14 -1.15 0.02 0.00 0.01 0.00 0.00 46.19 44.93 1xsk s LEU 123 CO 0.02 0.18 -0.06 -0.60 1.01 0.00 0.00 176.35 176.90 1xsk s ARG 124 N -1.73 2.88 -1.56 1.70 3.52 0.27 -1.04 118.95 122.98 1xsk s ARG 124 Ca 0.11 -0.95 -0.15 0.00 -0.13 0.00 0.00 55.73 54.61 1xsk s ARG 124 Cb -0.10 -2.99 0.11 0.00 -1.56 0.00 0.00 34.95 30.41 1xsk s ARG 124 CO 0.04 -0.39 0.83 0.09 -0.81 0.00 0.00 175.30 175.07 1xsk n ASN 125 N 4.68 -4.17 0.00 -2.12 5.03 -0.32 -0.21 115.26 118.15 1xsk n ASN 125 Ca -0.17 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.50 1xsk n ASN 125 Cb 0.47 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.86 1xsk n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsk n GLY 126 N -1.50 0.87 3.55 7.41 0.00 -1.26 -5.03 105.19 109.24 1xsk n GLY 126 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1xsk n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xsk s GLU 127 N -0.14 3.52 -0.46 1.61 2.02 0.70 -5.01 118.70 120.95 1xsk s GLU 127 Ca 0.00 -0.48 -0.28 0.00 0.02 0.00 0.00 54.97 54.23 1xsk s GLU 127 Cb 0.00 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.33 1xsk s GLU 127 CO 0.00 0.36 1.43 0.50 0.02 0.00 0.00 175.26 177.57 1xsk s ARG 128 N 0.06 3.46 0.19 1.61 3.52 -1.26 0.94 118.95 127.47 1xsk s ARG 128 Ca 0.01 0.79 0.22 0.00 -0.13 0.00 0.00 55.73 56.62 1xsk s ARG 128 Cb -0.13 -4.07 -0.01 0.00 -1.56 0.00 0.00 34.95 29.18 1xsk s ARG 128 CO 0.02 -1.71 1.04 -0.84 -0.81 0.00 0.00 175.30 173.00 1xsk h ILE 129 N 6.46 0.07 0.00 4.11 3.07 -1.74 -3.49 117.51 125.99 1xsk h ILE 129 Ca -0.27 -1.13 0.00 0.00 1.55 0.00 0.00 64.86 65.01 1xsk h ILE 129 Cb 1.10 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 1xsk h ILE 129 CO 1.12 0.04 0.00 1.07 -1.05 0.00 0.00 178.15 179.32 1xsk n THR 130 N -2.72 0.00 -1.82 0.16 5.66 -1.22 -4.86 114.28 109.47 1xsk n THR 130 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1xsk n THR 130 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1xsk n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xsk n GLY 131 N -0.20 -2.05 3.24 1.09 0.00 -1.26 -1.21 105.19 104.79 1xsk n GLY 131 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1xsk n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsk s SER 132 N -1.90 3.46 0.69 1.61 0.15 0.47 -1.77 113.70 116.42 1xsk s SER 132 Ca 0.00 -0.51 -0.10 0.00 0.70 0.00 0.00 55.95 56.04 1xsk s SER 132 Cb 0.00 -1.52 0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1xsk s SER 132 CO 0.00 0.09 1.05 -1.10 1.20 0.00 0.00 173.24 174.49 1xsk s GLN 133 N 0.76 2.68 0.22 5.44 -0.21 -1.26 -1.90 119.66 125.39 1xsk s GLN 133 Ca -0.07 0.23 -0.31 0.00 0.02 0.00 0.00 55.36 55.23 1xsk s GLN 133 Cb -0.16 -2.09 -0.12 0.00 1.00 0.00 0.00 33.01 31.65 1xsk s GLN 133 CO 0.00 -1.05 1.67 0.54 -2.12 0.00 0.00 175.29 174.33 1xsk s VAL 134 N -3.29 2.10 -0.36 1.09 0.11 -1.26 -2.04 120.40 116.75 1xsk s VAL 134 Ca 0.58 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1xsk s VAL 134 Cb -0.11 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1xsk s VAL 134 CO 0.49 0.01 0.00 0.29 -3.33 0.00 0.00 175.10 172.56 1xsk n LYS 135 N 3.56 -0.28 0.00 1.54 5.02 -1.26 -4.93 118.16 121.81 1xsk n LYS 135 Ca 0.14 0.42 0.03 0.00 -2.02 0.00 0.00 58.31 56.88 1xsk n LYS 135 Cb 0.36 -4.10 0.02 0.00 -0.02 0.00 0.00 35.03 31.29 1xsk n LYS 135 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xsk n ASN 136 N 1.33 1.49 -4.23 4.39 3.02 -0.87 -5.00 115.26 115.39 1xsk n ASN 136 Ca -0.04 -1.24 -0.16 0.00 -0.03 0.00 0.00 54.58 53.11 1xsk n ASN 136 Cb 0.32 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 1xsk n ASN 136 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsk s ASN 137 N -0.67 1.00 0.00 6.41 2.20 -1.26 -1.48 114.94 121.14 1xsk s ASN 137 Ca 0.08 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.58 1xsk s ASN 137 Cb 0.06 0.25 0.00 0.00 -2.00 0.00 0.00 41.25 39.56 1xsk s ASN 137 CO 0.10 -0.78 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 1xsk n GLY 138 N -0.44 0.88 3.40 0.45 0.00 -0.29 -4.51 105.19 104.68 1xsk n GLY 138 Ca 0.01 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1xsk n GLY 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xsk s TYR 139 N -3.08 2.79 -0.17 1.61 5.04 -0.43 -1.10 117.35 122.01 1xsk s TYR 139 Ca 0.00 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1xsk s TYR 139 Cb 0.00 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.51 1xsk s TYR 139 CO 0.00 -0.11 -0.13 0.08 -1.34 0.00 0.00 175.55 174.05 1xsk s VAL 140 N 0.09 2.85 -0.38 3.14 1.01 0.14 -1.97 120.40 125.28 1xsk s VAL 140 Ca -0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1xsk s VAL 140 Cb -0.15 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1xsk s VAL 140 CO 0.04 0.50 0.18 -1.58 0.00 0.00 0.00 175.10 174.24 1xsk s GLN 141 N 0.90 2.59 -0.36 2.72 0.74 -0.25 -0.22 119.66 125.78 1xsk s GLN 141 Ca -0.03 -1.32 -0.25 0.00 0.05 0.00 0.00 55.36 53.81 1xsk s GLN 141 Cb -0.15 -3.62 0.01 0.00 1.10 0.00 0.00 33.01 30.36 1xsk s GLN 141 CO -0.01 -0.81 0.88 0.34 -0.55 0.00 0.00 175.29 175.15 1xsk s ASP 142 N 1.72 6.65 0.29 6.67 -1.08 0.69 -1.71 116.67 129.91 1xsk s ASP 142 Ca 0.01 0.53 0.16 0.00 -0.52 0.00 0.00 52.55 52.73 1xsk s ASP 142 Cb -0.21 -2.44 0.09 0.00 -1.46 0.00 0.00 42.92 38.89 1xsk s ASP 142 CO 0.02 -0.81 1.44 0.74 0.52 0.00 0.00 175.17 177.08 1xsk h THR 143 N 5.79 0.76 0.00 1.71 2.02 -1.09 -1.34 112.91 120.76 1xsk h THR 143 Ca -0.24 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1xsk h THR 143 Cb 1.08 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1xsk h THR 143 CO 0.96 0.43 0.00 0.78 0.37 0.00 0.00 175.52 178.06 1xsk h ASN 144 N 0.00 0.00 0.00 4.18 2.35 -1.90 -3.36 115.58 116.86 1xsk h ASN 144 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1xsk h ASN 144 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1xsk h ASN 144 CO 0.06 0.00 -0.00 -0.46 -1.65 0.00 0.00 177.43 175.38 1xsk n ASN 145 N -2.92 0.00 -2.16 5.81 0.23 -1.25 -5.03 115.26 109.95 1xsk n ASN 145 Ca 0.03 -1.00 -0.20 0.00 -0.53 0.00 0.00 54.58 52.88 1xsk n ASN 145 Cb 0.45 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.12 1xsk n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsk n GLN 146 N 0.00 -1.64 -4.15 -3.83 1.13 -0.52 -4.99 117.38 103.38 1xsk n GLN 146 Ca 0.00 1.05 -0.33 0.00 -1.94 0.00 0.00 57.00 55.78 1xsk n GLN 146 Cb 0.50 -5.63 -0.08 0.00 0.11 0.00 0.00 30.24 25.14 1xsk n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xsk s ARG 147 N -4.65 3.02 -0.05 -1.09 0.52 -1.12 -4.93 118.95 110.65 1xsk s ARG 147 Ca 0.00 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 1xsk s ARG 147 Cb 0.00 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 1xsk s ARG 147 CO 0.00 0.66 -0.19 -0.80 0.02 0.00 0.00 175.30 174.99 1xsk s ASN 148 N -1.57 3.61 0.10 0.23 0.01 -1.26 -0.22 114.94 115.84 1xsk s ASN 148 Ca 0.21 -0.33 0.06 0.00 -0.71 0.00 0.00 52.86 52.09 1xsk s ASN 148 Cb -0.12 -0.79 -0.03 0.00 0.41 0.00 0.00 41.25 40.72 1xsk s ASN 148 CO 0.11 0.30 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.54 1xsk s TYR 149 N -0.49 1.46 -0.12 2.20 2.02 0.69 -3.14 117.35 119.97 1xsk s TYR 149 Ca 0.06 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1xsk s TYR 149 Cb -0.12 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1xsk s TYR 149 CO 0.01 0.14 -0.03 -1.64 -1.57 0.00 0.00 175.55 172.47 1xsk s MET 150 N -2.15 3.28 0.06 -0.62 -1.94 -0.78 0.23 119.30 117.39 1xsk s MET 150 Ca 0.05 -0.48 -0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1xsk s MET 150 Cb -0.08 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 1xsk s MET 150 CO 0.03 0.48 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.89 1xsk s PHE 151 N -0.28 0.61 -0.04 -0.03 -0.71 -0.26 -2.02 117.98 115.25 1xsk s PHE 151 Ca 0.05 -0.99 -0.11 0.00 -1.04 0.00 0.00 56.93 54.83 1xsk s PHE 151 Cb -0.12 -0.41 0.02 0.00 -1.21 0.00 0.00 43.02 41.29 1xsk s PHE 151 CO 0.02 -0.31 0.26 -2.00 -1.34 0.00 0.00 175.22 171.85 1xsk s GLU 152 N -3.74 0.52 -0.20 1.99 2.56 -0.60 -1.14 118.70 118.09 1xsk s GLU 152 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.97 54.95 1xsk s GLU 152 Cb 0.06 0.23 0.06 0.00 2.00 0.00 0.00 34.13 36.48 1xsk s GLU 152 CO -0.08 -0.12 -0.01 1.03 -0.56 0.00 0.00 175.26 175.52 1xsk s ARG 153 N -0.91 1.12 -0.20 4.30 0.52 -0.55 -0.55 118.95 122.68 1xsk s ARG 153 Ca -0.10 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.36 1xsk s ARG 153 Cb -0.05 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 1xsk s ARG 153 CO 0.02 -0.59 0.18 -0.51 0.02 0.00 0.00 175.30 174.42 1xsk s LEU 154 N 1.65 4.20 0.75 2.53 1.43 -0.33 -4.40 118.68 124.50 1xsk s LEU 154 Ca -0.03 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1xsk s LEU 154 Cb -0.17 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 43.92 1xsk s LEU 154 CO -0.07 0.13 1.19 -1.81 0.23 0.00 0.00 176.35 176.02 1xsk s ASP 155 N 0.54 4.14 -0.12 2.29 1.01 -0.73 -0.65 116.67 123.16 1xsk s ASP 155 Ca 0.10 2.28 -0.00 0.00 0.71 0.00 0.00 52.55 55.65 1xsk s ASP 155 Cb -0.12 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.25 1xsk s ASP 155 CO 0.01 -2.29 -0.10 -0.76 0.21 0.00 0.00 175.17 172.24 1xsk s LEU 156 N -5.32 1.36 1.09 1.23 1.43 -0.21 -4.62 118.68 113.63 1xsk s LEU 156 Ca 0.72 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 1xsk s LEU 156 Cb -0.27 -0.96 0.24 0.00 0.03 0.00 0.00 46.19 45.23 1xsk s LEU 156 CO 0.47 -0.10 1.16 -0.83 0.23 0.00 0.00 176.35 177.28 1xsk s GLY 157 N 1.62 1.62 0.29 -3.19 0.00 -1.26 -4.80 107.32 101.60 1xsk s GLY 157 Ca 0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 1xsk s GLY 157 CO -0.09 -0.09 1.36 -0.62 0.00 0.00 0.00 173.10 173.66 1xsk n VAL 158 N -4.34 1.47 -1.20 1.40 0.31 -1.26 -1.76 118.33 112.95 1xsk n VAL 158 Ca 0.12 -0.37 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 1xsk n VAL 158 Cb 0.59 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.94 1xsk n VAL 158 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsk n GLY 159 N 1.48 0.73 3.74 2.92 0.00 -1.26 -4.97 105.19 107.82 1xsk n GLY 159 Ca 0.08 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1xsk n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 160 N -2.37 4.62 0.13 1.61 2.12 -0.72 -4.99 118.70 119.11 1xsk s GLU 160 Ca 0.00 1.31 0.10 0.00 0.36 0.00 0.00 54.97 56.74 1xsk s GLU 160 Cb 0.00 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 1xsk s GLU 160 CO 0.00 0.25 -0.23 0.95 -0.54 0.00 0.00 175.26 175.69 1xsk s THR 161 N -0.05 2.52 -0.06 -1.70 -4.23 -1.26 -4.92 115.64 105.93 1xsk s THR 161 Ca 0.44 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1xsk s THR 161 Cb -0.22 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 1xsk s THR 161 CO 0.27 0.06 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.57 1xsk s VAL 162 N -1.18 2.89 0.08 2.29 1.01 -1.26 -2.49 120.40 121.74 1xsk s VAL 162 Ca 0.17 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1xsk s VAL 162 Cb -0.10 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1xsk s VAL 162 CO 0.08 0.58 -0.07 -0.31 0.00 0.00 0.00 175.10 175.38 1xsk s TYR 163 N -0.49 0.84 0.00 5.22 2.02 0.12 0.07 117.35 125.13 1xsk s TYR 163 Ca 0.06 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1xsk s TYR 163 Cb -0.12 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 1xsk s TYR 163 CO 0.02 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.27 1xsk n GLY 164 N 0.32 0.56 2.19 0.71 0.00 -1.26 -1.26 105.19 106.45 1xsk n GLY 164 Ca -0.15 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 1xsk n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xsk n LEU 165 N 0.00 -1.46 0.00 0.99 4.77 0.12 -4.81 117.00 116.62 1xsk n LEU 165 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xsk n LEU 165 Cb 0.00 -1.66 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 1xsk n LEU 165 CO 0.00 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1xsk n GLY 166 N -1.01 -1.85 3.55 -0.72 0.00 -1.24 -3.73 105.19 100.19 1xsk n GLY 166 Ca -0.12 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1xsk n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 167 N 0.00 3.50 0.18 1.61 2.12 -0.88 -4.06 118.70 121.18 1xsk s GLU 167 Ca 0.00 -0.97 0.08 0.00 0.36 0.00 0.00 54.97 54.44 1xsk s GLU 167 Cb 0.00 -5.09 -0.04 0.00 0.26 0.00 0.00 34.13 29.26 1xsk s GLU 167 CO 0.00 -2.17 -0.05 1.03 -0.54 0.00 0.00 175.26 173.53 1xsk s ARG 168 N 5.01 2.22 0.00 4.30 0.52 -1.26 -4.59 118.95 125.16 1xsk s ARG 168 Ca 0.43 -1.20 0.12 0.00 -0.52 0.00 0.00 55.73 54.56 1xsk s ARG 168 Cb -0.02 -2.25 0.34 0.00 0.52 0.00 0.00 34.95 33.54 1xsk s ARG 168 CO -0.05 0.44 1.27 1.19 0.02 0.00 0.00 175.30 178.17 1xsk n PHE 169 N -0.06 0.50 -2.10 -0.53 3.72 -1.26 -3.16 117.46 114.56 1xsk n PHE 169 Ca -0.10 -0.46 -0.12 0.00 -0.05 0.00 0.00 57.45 56.71 1xsk n PHE 169 Cb 0.55 -0.02 0.07 0.00 -0.94 0.00 0.00 39.48 39.15 1xsk n PHE 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xsk n THR 170 N 0.68 0.00 -1.54 4.37 -2.24 -1.26 -4.85 114.28 109.45 1xsk n THR 170 Ca 0.13 -0.68 -0.46 0.00 -2.27 0.00 0.00 64.05 60.76 1xsk n THR 170 Cb 0.44 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.31 1xsk n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xsk n ALA 171 N -3.11 -1.08 -0.20 6.98 0.00 -1.26 -4.86 120.51 116.98 1xsk n ALA 171 Ca -0.09 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.74 1xsk n ALA 171 Cb 0.29 -1.91 0.07 0.00 0.00 0.00 0.00 19.45 17.91 1xsk n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xsk h LEU 172 N 1.94 0.48 -9.07 0.00 5.85 -1.93 -3.39 115.31 109.19 1xsk h LEU 172 Ca -0.37 0.03 -0.59 0.00 0.84 0.00 0.00 57.88 57.79 1xsk h LEU 172 Cb 1.37 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 1xsk h LEU 172 CO 0.61 0.32 0.58 -0.69 -0.34 0.00 0.00 178.44 178.92 1xsk s VAL 173 N -6.11 4.79 0.23 1.05 1.01 -1.26 -4.65 120.40 115.45 1xsk s VAL 173 Ca -0.13 1.75 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 1xsk s VAL 173 Cb 0.15 -4.19 0.21 0.00 0.00 0.00 0.00 36.38 32.55 1xsk s VAL 173 CO 0.75 -0.09 1.85 0.03 0.00 0.00 0.00 175.10 177.64 1xsk h ARG 174 N 7.54 1.24 -3.18 2.72 -0.00 -0.58 -3.46 114.38 118.66 1xsk h ARG 174 Ca -0.23 -0.15 -0.46 0.00 -0.50 0.00 0.00 59.98 58.64 1xsk h ARG 174 Cb 1.09 -0.24 0.01 0.00 0.00 0.00 0.00 29.97 30.82 1xsk h ARG 174 CO 0.90 0.92 0.35 0.09 0.00 0.00 0.00 179.97 182.23 1xsk n ASN 175 N -4.32 0.62 0.00 7.04 4.13 -1.26 -1.58 115.26 119.88 1xsk n ASN 175 Ca 0.09 0.63 0.00 0.00 1.68 0.00 0.00 54.58 56.98 1xsk n ASN 175 Cb 0.11 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 1xsk n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsk n GLY 176 N 2.08 0.30 3.42 7.41 0.00 0.25 -5.00 105.19 113.65 1xsk n GLY 176 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1xsk n GLY 176 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xsk s GLN 177 N -0.97 1.51 -0.12 1.61 -2.07 -0.62 -4.65 119.66 114.36 1xsk s GLN 177 Ca 0.00 -1.55 -0.06 0.00 -1.82 0.00 0.00 55.36 51.93 1xsk s GLN 177 Cb 0.00 -1.77 -0.04 0.00 -1.09 0.00 0.00 33.01 30.11 1xsk s GLN 177 CO 0.00 0.37 0.11 0.95 -1.32 0.00 0.00 175.29 175.40 1xsk s THR 178 N -1.84 5.23 -0.03 3.63 -4.23 -1.26 -1.87 115.64 115.27 1xsk s THR 178 Ca 0.22 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 1xsk s THR 178 Cb -0.07 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.50 1xsk s THR 178 CO 0.10 0.59 -0.04 0.54 -0.54 0.00 0.00 174.62 175.27 1xsk s VAL 179 N -0.79 0.45 -0.24 2.29 0.11 -0.18 -5.00 120.40 117.03 1xsk s VAL 179 Ca 0.13 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1xsk s VAL 179 Cb -0.12 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1xsk s VAL 179 CO 0.03 0.18 0.06 -1.61 -3.33 0.00 0.00 175.10 170.42 1xsk s GLU 180 N 0.56 3.64 -1.19 1.54 0.41 -1.26 -0.51 118.70 121.89 1xsk s GLU 180 Ca -0.07 -0.49 -0.18 0.00 -0.41 0.00 0.00 54.97 53.83 1xsk s GLU 180 Cb -0.10 -3.28 0.10 0.00 -1.78 0.00 0.00 34.13 29.07 1xsk s GLU 180 CO -0.00 -0.15 1.55 0.95 -0.49 0.00 0.00 175.26 177.11 1xsk s THR 181 N 1.51 4.39 -0.18 3.63 -4.23 -0.74 -4.85 115.64 115.17 1xsk s THR 181 Ca 0.06 -1.88 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 1xsk s THR 181 Cb -0.15 -5.06 0.07 0.00 1.34 0.00 0.00 72.50 68.71 1xsk s THR 181 CO 0.03 -1.85 0.15 0.86 -0.54 0.00 0.00 174.62 173.26 1xsk s TRP 182 N 3.49 -0.01 0.25 3.99 -0.11 -1.26 -3.99 118.94 121.29 1xsk s TRP 182 Ca 0.47 -0.07 -0.31 0.00 1.22 0.00 0.00 56.10 57.41 1xsk s TRP 182 Cb 0.01 -0.55 -0.13 0.00 -1.50 0.00 0.00 33.47 31.30 1xsk s TRP 182 CO 0.01 -0.54 1.48 0.09 -4.62 0.00 0.00 176.95 173.37 1xsk n ASN 183 N 5.30 3.13 -4.01 5.86 3.02 -1.26 -4.71 115.26 122.59 1xsk n ASN 183 Ca -0.06 1.14 -0.09 0.00 -0.03 0.00 0.00 54.58 55.53 1xsk n ASN 183 Cb 0.49 -1.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.11 1xsk n ASN 183 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xsk s ARG 184 N -0.27 1.07 -0.90 3.52 0.52 -0.45 -4.63 118.95 117.80 1xsk s ARG 184 Ca 0.68 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 1xsk s ARG 184 Cb -0.60 0.34 0.22 0.00 0.52 0.00 0.00 34.95 35.42 1xsk s ARG 184 CO 0.48 -0.36 0.79 0.34 0.02 0.00 0.00 175.30 176.57 1xsk s ASP 185 N -2.98 6.05 -0.04 0.23 -1.08 -1.26 -3.55 116.67 114.04 1xsk s ASP 185 Ca 0.18 -3.72 0.08 0.00 -0.52 0.00 0.00 52.55 48.56 1xsk s ASP 185 Cb 0.05 -1.92 0.17 0.00 -1.46 0.00 0.00 42.92 39.75 1xsk s ASP 185 CO -0.00 -0.18 1.12 0.61 0.52 0.00 0.00 175.17 177.23 1xsk n GLY 186 N 2.34 3.46 5.42 2.66 0.00 -1.26 -5.11 105.19 112.69 1xsk n GLY 186 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1xsk n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 187 N -0.52 -1.36 0.00 -0.02 0.00 -1.26 -4.56 105.19 97.48 1xsk n GLY 187 Ca 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1xsk n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xsk n THR 188 N 0.00 0.41 -1.55 2.61 -2.24 -1.23 -4.74 114.28 107.53 1xsk n THR 188 Ca 0.00 -0.68 -0.05 0.00 -2.27 0.00 0.00 64.05 61.06 1xsk n THR 188 Cb 0.00 0.83 0.18 0.00 -2.10 0.00 0.00 70.33 69.24 1xsk n THR 188 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xsk n SER 189 N -0.20 2.67 -3.40 3.42 3.41 -1.26 -4.76 113.62 113.49 1xsk n SER 189 Ca 0.00 -3.83 -0.19 0.00 -0.26 0.00 0.00 58.87 54.59 1xsk n SER 189 Cb 0.12 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.40 1xsk n SER 189 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xsk s THR 190 N -3.44 0.01 -0.57 6.66 -4.23 -1.26 -5.01 115.64 107.80 1xsk s THR 190 Ca 0.44 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.15 1xsk s THR 190 Cb 0.40 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.95 1xsk s THR 190 CO -0.02 0.00 1.61 -1.84 -0.54 0.00 0.00 174.62 173.83 1xsk n GLU 191 N -0.62 0.14 -2.23 3.99 0.00 -1.26 -4.52 120.64 116.13 1xsk n GLU 191 Ca 0.07 0.43 -0.32 0.00 0.00 0.00 0.00 57.16 57.34 1xsk n GLU 191 Cb 0.62 -1.79 -0.02 0.00 0.00 0.00 0.00 31.44 30.26 1xsk n GLU 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xsk s GLN 192 N -3.27 3.72 0.02 3.44 -0.21 -1.26 -4.88 119.66 117.22 1xsk s GLN 192 Ca 0.03 1.00 -0.01 0.00 0.02 0.00 0.00 55.36 56.41 1xsk s GLN 192 Cb 0.08 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 31.97 1xsk s GLN 192 CO 0.31 -0.47 -0.01 0.00 -2.12 0.00 0.00 175.29 173.01 1xsk s ALA 193 N -2.64 0.11 -0.19 6.09 0.00 -1.26 -4.71 121.76 119.16 1xsk s ALA 193 Ca 0.60 -0.62 0.18 0.00 0.00 0.00 0.00 51.96 52.12 1xsk s ALA 193 Cb -0.12 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 1xsk s ALA 193 CO 0.35 -0.20 1.13 1.88 0.00 0.00 0.00 175.76 178.92 1xsk h TYR 194 N 4.38 0.00 -3.27 0.00 0.05 -1.81 -1.20 116.97 115.12 1xsk h TYR 194 Ca -0.32 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.87 1xsk h TYR 194 Cb 1.20 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.54 1xsk h TYR 194 CO 0.63 0.37 -0.75 0.15 -1.05 0.00 0.00 178.16 177.51 1xsk s LYS 195 N -3.06 0.88 0.01 4.88 1.02 -1.26 -3.51 119.74 118.68 1xsk s LYS 195 Ca 0.01 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.86 1xsk s LYS 195 Cb 0.08 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1xsk s LYS 195 CO 0.77 -0.93 0.14 -0.80 -0.92 0.00 0.00 175.35 173.61 1xsk s ASN 196 N 1.52 6.03 -0.16 2.83 0.01 -1.25 -2.07 114.94 121.86 1xsk s ASN 196 Ca 0.08 0.23 -0.04 0.00 -0.71 0.00 0.00 52.86 52.42 1xsk s ASN 196 Cb -0.18 -1.81 0.08 0.00 0.41 0.00 0.00 41.25 39.75 1xsk s ASN 196 CO -0.20 0.25 0.28 -0.63 -1.51 0.00 0.00 177.10 175.29 1xsk s ILE 197 N -1.29 -0.43 -0.13 0.60 -1.09 -1.24 -4.40 121.20 113.21 1xsk s ILE 197 Ca 0.26 0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.78 1xsk s ILE 197 Cb -0.12 -0.55 -0.19 0.00 -1.58 0.00 0.00 42.46 40.01 1xsk s ILE 197 CO 0.18 0.02 2.88 -0.81 -1.23 0.00 0.00 174.94 175.98 1xsk n PRO 198 N 5.35 1.68 -4.40 2.79 -0.04 -1.26 -3.60 135.00 135.52 1xsk n PRO 198 Ca -0.06 -0.88 -0.21 0.00 -0.04 0.00 0.00 63.50 62.31 1xsk n PRO 198 Cb 0.50 -1.96 -0.16 0.00 -0.04 0.00 0.00 33.50 31.84 1xsk n PRO 198 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xsk s PHE 199 N 1.59 1.02 0.09 0.54 5.36 -1.26 -0.50 117.98 124.82 1xsk s PHE 199 Ca 0.52 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 1xsk s PHE 199 Cb 0.24 -0.76 -0.04 0.00 -0.34 0.00 0.00 43.02 42.12 1xsk s PHE 199 CO -0.00 -0.15 -0.04 1.52 -1.46 0.00 0.00 175.22 175.09 1xsk s TYR 200 N 0.40 0.76 0.05 10.12 -0.85 -0.67 0.16 117.35 127.32 1xsk s TYR 200 Ca -0.07 -1.01 -0.07 0.00 -0.52 0.00 0.00 57.07 55.40 1xsk s TYR 200 Cb -0.11 -0.48 -0.01 0.00 0.38 0.00 0.00 41.96 41.75 1xsk s TYR 200 CO 0.01 -0.28 0.13 0.00 -1.52 0.00 0.00 175.55 173.89 1xsk s MET 201 N -3.89 0.67 0.42 -3.49 0.23 -0.39 -0.82 119.30 112.03 1xsk s MET 201 Ca 0.12 -0.81 0.05 0.00 -1.03 0.00 0.00 55.69 54.01 1xsk s MET 201 Cb 0.07 0.26 -0.06 0.00 -1.53 0.00 0.00 34.83 33.57 1xsk s MET 201 CO -0.06 -0.18 0.02 0.95 -2.03 0.00 0.00 175.02 173.73 1xsk s THR 202 N -2.99 1.56 -0.99 3.16 -4.23 -0.98 -0.70 115.64 110.47 1xsk s THR 202 Ca -0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1xsk s THR 202 Cb 0.01 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.23 1xsk s THR 202 CO -0.06 0.00 0.66 -0.46 -0.54 0.00 0.00 174.62 174.22 1xsk n ASN 203 N -1.02 1.44 -0.69 3.99 6.94 -1.04 -2.65 115.26 122.22 1xsk n ASN 203 Ca -0.08 -2.09 0.08 0.00 -0.02 0.00 0.00 54.58 52.46 1xsk n ASN 203 Cb 0.67 -0.49 0.10 0.00 -2.36 0.00 0.00 39.78 37.69 1xsk n ASN 203 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1xsk n ARG 204 N 0.04 1.53 -1.31 -3.83 0.63 -1.26 -4.96 116.66 107.50 1xsk n ARG 204 Ca 0.03 -1.62 0.00 0.00 -0.92 0.00 0.00 57.85 55.34 1xsk n ARG 204 Cb 0.33 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 31.92 1xsk n ARG 204 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xsk n GLY 205 N 0.91 0.71 3.14 5.14 0.00 -1.08 -4.95 105.19 109.06 1xsk n GLY 205 Ca 0.11 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 1xsk n GLY 205 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xsk s TYR 206 N -2.00 0.29 0.23 1.61 -0.85 -1.26 -0.58 117.35 114.79 1xsk s TYR 206 Ca 0.00 -0.71 0.04 0.00 -0.52 0.00 0.00 57.07 55.88 1xsk s TYR 206 Cb 0.00 -0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.10 1xsk s TYR 206 CO 0.00 -0.43 -0.03 0.20 -1.52 0.00 0.00 175.55 173.76 1xsk s GLY 207 N -2.65 1.53 -0.07 5.49 0.00 0.20 -2.32 107.32 109.50 1xsk s GLY 207 Ca 0.02 -1.75 -0.03 0.00 0.00 0.00 0.00 44.72 42.97 1xsk s GLY 207 CO -0.09 -1.69 0.16 -1.34 0.00 0.00 0.00 173.10 170.14 1xsk s VAL 208 N -3.31 -0.10 -0.24 1.40 -7.23 0.00 0.95 120.40 111.87 1xsk s VAL 208 Ca 0.27 0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 60.59 1xsk s VAL 208 Cb 0.05 -0.26 -0.02 0.00 0.56 0.00 0.00 36.38 36.70 1xsk s VAL 208 CO 0.08 0.09 0.04 -0.22 -0.31 0.00 0.00 175.10 174.78 1xsk s LEU 209 N 1.45 3.29 -0.40 1.32 2.96 -0.41 -1.66 118.68 125.23 1xsk s LEU 209 Ca -0.06 -0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 1xsk s LEU 209 Cb -0.12 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1xsk s LEU 209 CO -0.06 -0.02 0.77 -0.69 -1.32 0.00 0.00 176.35 175.02 1xsk s VAL 210 N 1.53 4.71 -0.26 1.68 1.01 0.34 -0.43 120.40 128.98 1xsk s VAL 210 Ca 0.06 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 1xsk s VAL 210 Cb -0.15 -4.25 -0.15 0.00 0.00 0.00 0.00 36.38 31.83 1xsk s VAL 210 CO 0.02 -0.56 2.55 -3.20 0.00 0.00 0.00 175.10 173.91 1xsk n ASN 211 N 6.52 4.12 -3.81 3.32 5.15 0.40 -4.76 115.26 126.21 1xsk n ASN 211 Ca 0.02 -2.22 -0.29 0.00 -0.60 0.00 0.00 54.58 51.50 1xsk n ASN 211 Cb 0.48 -1.02 -0.16 0.00 -0.53 0.00 0.00 39.78 38.55 1xsk n ASN 211 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1xsk s HIS 212 N 1.99 1.54 0.24 1.20 3.76 -1.26 -4.84 115.29 117.92 1xsk s HIS 212 Ca 0.46 -1.21 0.35 0.00 -0.15 0.00 0.00 55.06 54.51 1xsk s HIS 212 Cb 0.19 -1.25 1.79 0.00 1.11 0.00 0.00 32.58 34.42 1xsk s HIS 212 CO -0.01 -0.68 2.07 -1.35 -0.85 0.00 0.00 174.74 173.92 1xsk h PRO 213 N 8.13 0.00 -7.57 8.40 0.11 -1.88 -3.44 132.00 135.76 1xsk h PRO 213 Ca -0.17 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.49 1xsk h PRO 213 Cb 1.10 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.34 1xsk h PRO 213 CO 0.37 0.00 0.32 -0.65 -0.21 0.00 0.00 178.00 177.83 1xsk s GLN 214 N -3.83 1.17 -0.10 1.05 1.11 -1.26 -4.49 119.66 113.32 1xsk s GLN 214 Ca -0.02 -0.53 -0.36 0.00 0.01 0.00 0.00 55.36 54.46 1xsk s GLN 214 Cb 0.10 -2.01 -0.13 0.00 -1.01 0.00 0.00 33.01 29.96 1xsk s GLN 214 CO 0.38 -1.98 1.78 0.00 0.01 0.00 0.00 175.29 175.48 1xsk s VAL 216 N 3.35 3.71 -0.29 0.00 1.01 -1.26 -4.60 120.40 122.33 1xsk s VAL 216 Ca 0.92 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 1xsk s VAL 216 Cb -0.80 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1xsk s VAL 216 CO 0.53 0.52 0.19 -0.55 0.00 0.00 0.00 175.10 175.79 1xsk s SER 217 N 0.15 5.98 -0.12 3.32 0.15 -0.33 -1.79 113.70 121.06 1xsk s SER 217 Ca -0.03 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.51 1xsk s SER 217 Cb -0.14 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1xsk s SER 217 CO 0.03 -0.08 -0.02 -0.36 1.20 0.00 0.00 173.24 174.01 1xsk s PHE 218 N 1.75 3.07 -0.49 3.44 0.40 0.33 -1.30 117.98 125.17 1xsk s PHE 218 Ca 0.07 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.37 1xsk s PHE 218 Cb -0.16 -1.88 0.13 0.00 0.51 0.00 0.00 43.02 41.62 1xsk s PHE 218 CO 0.11 0.19 0.23 -1.21 0.70 0.00 0.00 175.22 175.24 1xsk s GLU 219 N -0.20 1.91 -0.94 0.44 0.41 0.19 -1.02 118.70 119.49 1xsk s GLU 219 Ca 0.04 -2.49 -0.22 0.00 -0.41 0.00 0.00 54.97 51.89 1xsk s GLU 219 Cb -0.13 -3.31 0.07 0.00 -1.78 0.00 0.00 34.13 28.99 1xsk s GLU 219 CO 0.02 -1.08 1.30 0.08 -0.49 0.00 0.00 175.26 175.09 1xsk s VAL 220 N -0.07 4.17 -2.11 2.63 1.01 -0.78 -0.87 120.40 124.37 1xsk s VAL 220 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1xsk s VAL 220 Cb -0.25 -4.94 0.00 0.00 0.00 0.00 0.00 36.38 31.20 1xsk s VAL 220 CO -0.02 -1.77 0.00 0.61 0.00 0.00 0.00 175.10 173.93 1xsk n GLY 221 N 6.21 1.91 0.01 4.51 0.00 0.52 0.87 105.19 119.22 1xsk n GLY 221 Ca 0.25 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1xsk n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsk n SER 222 N -1.26 0.25 -0.01 1.61 3.41 -1.26 -4.00 113.62 112.37 1xsk n SER 222 Ca -0.20 -0.18 -0.02 0.00 -0.26 0.00 0.00 58.87 58.22 1xsk n SER 222 Cb 0.66 1.81 -0.01 0.00 -0.26 0.00 0.00 64.21 66.41 1xsk n SER 222 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xsk n GLU 223 N -2.11 0.09 -3.39 4.33 2.13 -1.26 -4.87 120.64 115.57 1xsk n GLU 223 Ca -0.03 0.04 -0.44 0.00 0.66 0.00 0.00 57.16 57.40 1xsk n GLU 223 Cb 0.52 -0.50 -0.09 0.00 0.27 0.00 0.00 31.44 31.64 1xsk n GLU 223 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xsk s LYS 224 N -1.51 3.01 0.54 5.31 -0.14 -1.26 -4.96 119.74 120.72 1xsk s LYS 224 Ca -0.05 -1.08 0.33 0.00 -1.36 0.00 0.00 55.97 53.81 1xsk s LYS 224 Cb 0.01 -4.04 1.50 0.00 -1.68 0.00 0.00 37.83 33.62 1xsk s LYS 224 CO 0.08 -0.91 1.85 -0.39 -0.76 0.00 0.00 175.35 175.22 1xsk h VAL 225 N 5.71 0.48 -0.66 3.17 -1.51 -1.90 -1.61 116.25 119.93 1xsk h VAL 225 Ca -0.27 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 64.87 1xsk h VAL 225 Cb 1.11 0.50 -0.19 0.00 -2.13 0.00 0.00 31.29 30.57 1xsk h VAL 225 CO 0.81 0.00 0.27 -1.54 -1.23 0.00 0.00 177.57 175.88 1xsk n SER 226 N -4.19 3.24 -3.88 4.19 3.41 -1.26 -4.43 113.62 110.70 1xsk n SER 226 Ca 0.21 -3.64 -0.09 0.00 -0.26 0.00 0.00 58.87 55.08 1xsk n SER 226 Cb 1.06 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 1xsk n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xsk s LYS 227 N -3.24 0.75 -0.36 4.33 1.02 -0.61 -1.04 119.74 120.58 1xsk s LYS 227 Ca 0.51 -0.85 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 1xsk s LYS 227 Cb 0.44 0.30 0.03 0.00 -0.52 0.00 0.00 37.83 38.08 1xsk s LYS 227 CO 0.06 -0.22 0.18 0.08 -0.92 0.00 0.00 175.35 174.53 1xsk s VAL 228 N -3.31 4.34 -0.20 3.17 1.01 0.18 -0.36 120.40 125.23 1xsk s VAL 228 Ca 0.01 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1xsk s VAL 228 Cb 0.03 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1xsk s VAL 228 CO -0.08 -0.21 0.12 -1.58 0.00 0.00 0.00 175.10 173.35 1xsk s GLN 229 N 1.51 4.15 -0.03 2.72 0.74 -0.05 -1.19 119.66 127.51 1xsk s GLN 229 Ca 0.01 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.20 1xsk s GLN 229 Cb -0.19 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.52 1xsk s GLN 229 CO 0.05 0.28 -0.08 -0.59 -0.55 0.00 0.00 175.29 174.40 1xsk s PHE 230 N 0.42 0.89 0.06 1.67 -0.12 0.29 0.57 117.98 121.75 1xsk s PHE 230 Ca 0.07 -0.23 0.02 0.00 -0.05 0.00 0.00 56.93 56.74 1xsk s PHE 230 Cb -0.11 -0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 41.58 1xsk s PHE 230 CO -0.01 -0.12 -0.08 -1.54 -0.05 0.00 0.00 175.22 173.42 1xsk s SER 231 N 0.36 0.96 -0.01 1.98 1.04 -0.42 -1.56 113.70 116.06 1xsk s SER 231 Ca -0.06 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.67 1xsk s SER 231 Cb -0.10 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 1xsk s SER 231 CO 0.01 -0.26 0.07 0.54 0.98 0.00 0.00 173.24 174.58 1xsk s VAL 232 N -1.93 0.06 -0.72 5.02 0.11 -0.86 -1.18 120.40 120.90 1xsk s VAL 232 Ca -0.04 -0.49 -0.27 0.00 -2.93 0.00 0.00 61.98 58.25 1xsk s VAL 232 Cb -0.06 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1xsk s VAL 232 CO -0.01 -0.27 1.47 -0.70 -3.33 0.00 0.00 175.10 172.27 1xsk s GLU 233 N -0.86 3.03 0.08 1.54 2.12 -1.26 -1.86 118.70 121.50 1xsk s GLU 233 Ca -0.09 -0.04 -0.27 0.00 0.36 0.00 0.00 54.97 54.93 1xsk s GLU 233 Cb -0.06 -4.32 0.08 0.00 0.26 0.00 0.00 34.13 30.09 1xsk s GLU 233 CO 0.00 -2.35 0.97 0.45 -0.54 0.00 0.00 175.26 173.79 1xsk s SER 234 N 5.18 -0.22 0.00 -1.70 0.15 -1.19 -4.98 113.70 110.94 1xsk s SER 234 Ca 0.46 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.09 1xsk s SER 234 Cb -0.09 0.42 0.44 0.00 -1.71 0.00 0.00 66.02 65.08 1xsk s SER 234 CO 0.15 -0.75 1.40 -0.62 1.20 0.00 0.00 173.24 174.62 1xsk n GLU 235 N -0.40 2.22 -3.75 5.44 -0.58 -1.26 -3.52 120.64 118.80 1xsk n GLU 235 Ca -0.07 -1.80 -0.13 0.00 -0.42 0.00 0.00 57.16 54.73 1xsk n GLU 235 Cb 0.61 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.92 1xsk n GLU 235 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xsk s TYR 236 N -1.84 -0.29 -0.12 -0.32 -0.85 -1.26 -0.86 117.35 111.81 1xsk s TYR 236 Ca 0.33 0.60 0.02 0.00 -0.52 0.00 0.00 57.07 57.50 1xsk s TYR 236 Cb 0.21 0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.67 1xsk s TYR 236 CO 0.31 -0.31 -0.20 -1.17 -1.52 0.00 0.00 175.55 172.66 1xsk s LEU 237 N -0.66 2.30 -0.10 -3.49 2.96 0.26 -4.90 118.68 115.06 1xsk s LEU 237 Ca -0.08 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.33 1xsk s LEU 237 Cb -0.04 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1xsk s LEU 237 CO 0.03 0.13 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.42 1xsk s GLU 238 N 0.51 1.39 0.17 1.98 2.12 -1.26 0.82 118.70 124.42 1xsk s GLU 238 Ca -0.13 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1xsk s GLU 238 Cb -0.17 -1.44 -0.05 0.00 0.26 0.00 0.00 34.13 32.73 1xsk s GLU 238 CO 0.05 -0.23 -0.00 1.52 -0.54 0.00 0.00 175.26 176.06 1xsk s TYR 239 N 1.58 1.20 -0.08 5.30 1.13 -0.53 -0.45 117.35 125.50 1xsk s TYR 239 Ca 0.02 -1.01 0.02 0.00 -1.41 0.00 0.00 57.07 54.69 1xsk s TYR 239 Cb -0.13 -0.68 0.02 0.00 -1.10 0.00 0.00 41.96 40.06 1xsk s TYR 239 CO -0.06 -0.20 -0.11 -0.06 -2.51 0.00 0.00 175.55 172.61 1xsk s PHE 240 N -3.65 1.51 -0.25 -3.49 0.08 0.43 -0.45 117.98 112.16 1xsk s PHE 240 Ca 0.23 -0.62 -0.13 0.00 0.12 0.00 0.00 56.93 56.53 1xsk s PHE 240 Cb 0.06 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1xsk s PHE 240 CO 0.04 -0.35 0.28 0.08 -0.10 0.00 0.00 175.22 175.16 1xsk s VAL 241 N 0.95 5.26 -0.23 -0.44 1.01 -0.64 -1.29 120.40 125.03 1xsk s VAL 241 Ca -0.09 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1xsk s VAL 241 Cb -0.15 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1xsk s VAL 241 CO 0.00 0.25 0.01 -0.63 0.00 0.00 0.00 175.10 174.73 1xsk s ILE 242 N 1.59 3.84 0.50 2.22 1.01 0.27 -1.89 121.20 128.75 1xsk s ILE 242 Ca 0.12 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 1xsk s ILE 242 Cb -0.15 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.47 1xsk s ILE 242 CO 0.08 0.39 1.01 -0.62 0.00 0.00 0.00 174.94 175.80 1xsk s ASP 243 N 1.50 6.42 0.00 3.58 2.15 -0.74 0.60 116.67 130.18 1xsk s ASP 243 Ca 0.06 1.77 0.00 0.00 0.43 0.00 0.00 52.55 54.80 1xsk s ASP 243 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1xsk s ASP 243 CO 0.00 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 174.89 1xsk n GLY 244 N -0.81 0.04 0.00 2.66 0.00 0.26 -4.10 105.19 103.24 1xsk n GLY 244 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1xsk n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xsk n PRO 245 N 0.00 0.94 -4.34 1.61 -0.04 -1.26 -4.62 135.00 127.29 1xsk n PRO 245 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1xsk n PRO 245 Cb 0.00 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 1xsk n PRO 245 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xsk s THR 246 N -2.00 2.97 0.25 0.52 -4.23 -1.26 -3.95 115.64 107.93 1xsk s THR 246 Ca 0.33 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1xsk s THR 246 Cb 0.15 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.75 1xsk s THR 246 CO 0.26 -0.16 1.68 -0.65 -0.54 0.00 0.00 174.62 175.21 1xsk h PRO 247 N 2.82 0.25 -0.04 3.99 0.11 -1.89 0.16 132.00 137.41 1xsk h PRO 247 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1xsk h PRO 247 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1xsk h PRO 247 CO 0.54 0.17 -0.21 0.87 -0.21 0.00 0.00 178.00 179.16 1xsk h LYS 248 N 0.26 0.07 -0.00 1.05 1.57 -1.96 -1.40 116.57 116.15 1xsk h LYS 248 Ca 0.42 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 59.00 1xsk h LYS 248 Cb 0.73 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1xsk h LYS 248 CO -0.52 0.28 -0.84 0.00 -0.57 0.00 0.00 179.45 177.80 1xsk h ALA 249 N 1.73 0.58 0.11 3.86 0.00 -1.05 -1.67 119.26 122.83 1xsk h ALA 249 Ca 0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1xsk h ALA 249 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xsk h ALA 249 CO 0.03 0.90 -0.06 0.28 0.00 0.00 0.00 179.25 180.41 1xsk h VAL 250 N 0.10 1.06 -0.12 0.00 2.07 -0.71 -2.63 116.25 116.02 1xsk h VAL 250 Ca -0.03 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1xsk h VAL 250 Cb 1.45 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1xsk h VAL 250 CO 0.13 0.17 0.08 -0.07 0.02 0.00 0.00 177.57 177.90 1xsk h LEU 251 N -0.50 0.00 -0.14 2.57 3.38 -1.27 0.13 115.31 119.49 1xsk h LEU 251 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xsk h LEU 251 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xsk h LEU 251 CO 0.03 0.00 -0.02 -0.78 0.09 0.00 0.00 178.44 177.76 1xsk h ASP 252 N 0.00 0.25 -0.29 -0.43 3.58 -1.14 -1.02 116.42 117.38 1xsk h ASP 252 Ca 0.06 -0.35 -0.06 0.00 0.42 0.00 0.00 57.03 57.10 1xsk h ASP 252 Cb 0.22 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1xsk h ASP 252 CO -0.00 0.54 -0.06 0.03 -2.88 0.00 0.00 179.24 176.87 1xsk h ARG 253 N -0.04 0.54 -0.35 0.28 3.08 -0.95 -1.57 114.38 115.39 1xsk h ARG 253 Ca 0.04 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 59.92 1xsk h ARG 253 Cb 0.42 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1xsk h ARG 253 CO 0.01 0.74 0.11 -0.92 -1.07 0.00 0.00 179.97 178.84 1xsk h TYR 254 N 0.31 0.19 0.00 3.04 3.20 -0.76 0.24 116.97 123.19 1xsk h TYR 254 Ca 0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1xsk h TYR 254 Cb 0.53 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1xsk h TYR 254 CO 0.05 0.07 -0.30 1.79 -1.64 0.00 0.00 178.16 178.13 1xsk h THR 255 N 0.25 0.71 -0.03 1.81 1.35 -1.17 0.32 112.91 116.15 1xsk h THR 255 Ca 0.16 -1.33 -0.17 0.00 -0.55 0.00 0.00 66.41 64.51 1xsk h THR 255 Cb 0.14 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1xsk h THR 255 CO -0.17 0.29 -0.75 -0.09 -0.25 0.00 0.00 175.52 174.55 1xsk h ARG 256 N 0.00 0.24 0.21 4.72 2.43 -0.49 0.11 114.38 121.60 1xsk h ARG 256 Ca -0.00 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1xsk h ARG 256 Cb 0.83 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1xsk h ARG 256 CO 0.04 0.88 -0.10 0.35 -1.51 0.00 0.00 179.97 179.63 1xsk h PHE 257 N 0.15 -0.26 0.00 2.20 3.57 0.13 -3.39 116.94 119.34 1xsk h PHE 257 Ca -0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1xsk h PHE 257 Cb 1.32 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1xsk h PHE 257 CO 0.03 0.03 -1.03 0.25 -2.23 0.00 0.00 178.31 175.37 1xsk n THR 258 N -4.96 0.07 0.00 4.41 -2.24 0.11 -0.47 114.28 111.20 1xsk n THR 258 Ca -0.06 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1xsk n THR 258 Cb 0.21 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1xsk n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsk n GLY 259 N 1.42 4.30 3.69 3.38 0.00 0.36 -4.20 105.19 114.14 1xsk n GLY 259 Ca 0.03 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1xsk n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xsk s ARG 260 N -3.92 4.34 0.46 1.61 1.81 -0.95 -4.55 118.95 117.76 1xsk s ARG 260 Ca 0.00 0.83 -0.24 0.00 -1.72 0.00 0.00 55.73 54.60 1xsk s ARG 260 Cb 0.00 -3.52 -0.09 0.00 -0.45 0.00 0.00 34.95 30.90 1xsk s ARG 260 CO 0.00 -0.12 1.19 -2.30 -0.68 0.00 0.00 175.30 173.40 1xsk n PRO 261 N 4.50 1.65 -2.36 3.54 -0.02 -1.26 -4.35 135.00 136.69 1xsk n PRO 261 Ca 0.00 0.59 -0.28 0.00 -2.02 0.00 0.00 63.50 61.80 1xsk n PRO 261 Cb 0.50 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 1xsk n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsk s ALA 262 N -1.27 3.27 -0.47 3.55 0.00 -1.25 -4.07 121.76 121.52 1xsk s ALA 262 Ca 0.65 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 1xsk s ALA 262 Cb -0.49 -2.70 0.04 0.00 0.00 0.00 0.00 23.12 19.96 1xsk s ALA 262 CO 0.55 -0.65 0.65 -1.17 0.00 0.00 0.00 175.76 175.14 1xsk s LEU 263 N -4.96 4.66 0.89 0.00 2.96 -1.26 -4.74 118.68 116.23 1xsk s LEU 263 Ca 0.52 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.75 1xsk s LEU 263 Cb -0.11 -2.61 0.13 0.00 0.50 0.00 0.00 46.19 44.11 1xsk s LEU 263 CO 0.47 -0.85 1.14 -2.84 -1.32 0.00 0.00 176.35 172.94 1xsk s PRO 264 N 2.81 1.21 0.59 0.98 0.02 -1.26 -4.96 135.00 134.39 1xsk s PRO 264 Ca 0.20 1.47 -0.16 0.00 0.02 0.00 0.00 61.00 62.52 1xsk s PRO 264 Cb -0.16 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1xsk s PRO 264 CO 0.16 -2.47 1.07 -1.25 -0.33 0.00 0.00 177.00 174.18 1xsk s PRO 265 N -4.70 3.27 0.21 5.54 0.04 -1.25 -4.94 135.00 133.17 1xsk s PRO 265 Ca 0.66 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 1xsk s PRO 265 Cb -0.22 -2.02 0.29 0.00 0.04 0.00 0.00 34.50 32.59 1xsk s PRO 265 CO 0.58 -0.86 1.70 0.00 0.04 0.00 0.00 177.00 178.45 1xsk h ALA 266 N 0.56 0.68 -0.73 8.56 0.00 -1.90 -2.17 119.26 124.26 1xsk h ALA 266 Ca -0.47 0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.78 1xsk h ALA 266 Cb 1.23 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1xsk h ALA 266 CO 0.57 -0.33 0.52 0.11 0.00 0.00 0.00 179.25 180.12 1xsk h TRP 267 N 0.22 0.07 0.00 0.00 5.08 -1.92 0.15 115.95 119.56 1xsk h TRP 267 Ca 0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.29 1xsk h TRP 267 Cb 0.48 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.61 1xsk h TRP 267 CO -0.27 0.02 0.00 0.66 -1.28 0.00 0.00 178.44 177.57 1xsk h SER 268 N 0.06 0.00 -0.00 0.11 4.64 -1.76 -2.08 113.55 114.51 1xsk h SER 268 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1xsk h SER 268 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1xsk h SER 268 CO -0.02 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.43 1xsk n PHE 269 N -2.30 0.00 -0.43 4.77 3.72 0.04 -4.77 117.46 118.49 1xsk n PHE 269 Ca 0.01 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1xsk n PHE 269 Cb 0.18 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1xsk n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xsk n GLY 270 N 1.00 -1.08 3.75 1.37 0.00 -0.79 -4.77 105.19 104.67 1xsk n GLY 270 Ca 0.23 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1xsk n GLY 270 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsk s LEU 271 N 0.00 4.32 -0.16 0.99 2.96 -1.26 -4.23 118.68 121.29 1xsk s LEU 271 Ca 0.00 0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 54.64 1xsk s LEU 271 Cb 0.00 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1xsk s LEU 271 CO 0.00 0.09 0.06 0.26 -1.32 0.00 0.00 176.35 175.44 1xsk s TRP 272 N 0.20 3.27 -0.04 5.38 0.52 -0.60 -2.06 118.94 125.63 1xsk s TRP 272 Ca 0.24 0.14 0.07 0.00 0.02 0.00 0.00 56.10 56.57 1xsk s TRP 272 Cb -0.15 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 1xsk s TRP 272 CO 0.10 0.28 -0.25 -1.17 0.02 0.00 0.00 176.95 175.93 1xsk s LEU 273 N -0.02 2.05 0.20 2.99 2.96 -0.48 -0.84 118.68 125.55 1xsk s LEU 273 Ca 0.06 -0.48 0.10 0.00 -0.22 0.00 0.00 54.13 53.59 1xsk s LEU 273 Cb -0.12 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 1xsk s LEU 273 CO 0.01 0.28 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.31 1xsk s THR 274 N -0.39 3.00 -0.78 3.68 2.01 -0.71 -0.67 115.64 121.78 1xsk s THR 274 Ca 0.04 -1.83 0.24 0.00 0.31 0.00 0.00 61.69 60.44 1xsk s THR 274 Cb -0.11 -2.50 0.23 0.00 0.01 0.00 0.00 72.50 70.12 1xsk s THR 274 CO 0.01 -0.17 1.73 0.35 -0.69 0.00 0.00 174.62 175.85 1xsk n THR 275 N -0.09 0.61 0.00 -0.82 -2.24 -1.12 -4.73 114.28 105.88 1xsk n THR 275 Ca -0.10 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1xsk n THR 275 Cb 0.56 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1xsk n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xsk n SER 276 N -1.93 0.00 0.00 3.42 7.64 -1.26 -4.72 113.62 116.77 1xsk n SER 276 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1xsk n SER 276 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1xsk n SER 276 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsk n PHE 277 N -0.74 0.00 -0.13 1.43 7.35 0.00 -4.52 117.46 120.86 1xsk n PHE 277 Ca 0.00 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 1xsk n PHE 277 Cb 0.00 0.00 0.28 0.00 0.35 0.00 0.00 39.48 40.11 1xsk n PHE 277 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xsk n THR 278 N -0.33 1.42 -1.50 -2.13 -2.24 -0.18 -4.63 114.28 104.68 1xsk n THR 278 Ca 0.00 -0.91 -0.30 0.00 -2.27 0.00 0.00 64.05 60.57 1xsk n THR 278 Cb 0.00 0.04 0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1xsk n THR 278 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xsk s THR 279 N -1.78 3.03 0.25 4.28 -4.23 -1.23 -4.95 115.64 111.01 1xsk s THR 279 Ca 0.40 0.33 -0.26 0.00 -1.18 0.00 0.00 61.69 60.98 1xsk s THR 279 Cb 0.26 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.97 1xsk s THR 279 CO 0.19 -0.44 0.88 0.20 -0.54 0.00 0.00 174.62 174.92 1xsk s ASN 280 N -3.83 7.40 -0.26 3.99 0.02 -1.26 -4.99 114.94 116.01 1xsk s ASN 280 Ca 0.61 1.77 -0.27 0.00 -1.02 0.00 0.00 52.86 53.95 1xsk s ASN 280 Cb -0.15 -2.55 0.15 0.00 0.02 0.00 0.00 41.25 38.73 1xsk s ASN 280 CO 0.55 0.07 1.19 -0.72 0.02 0.00 0.00 177.10 178.21 1xsk s TYR 281 N -1.38 -0.27 0.13 2.20 1.13 -1.26 -5.02 117.35 112.89 1xsk s TYR 281 Ca 0.43 0.58 -0.01 0.00 -1.41 0.00 0.00 57.07 56.67 1xsk s TYR 281 Cb -0.21 0.44 0.00 0.00 -1.10 0.00 0.00 41.96 41.08 1xsk s TYR 281 CO 0.26 -0.17 0.18 -0.40 -2.51 0.00 0.00 175.55 172.91 1xsk n ASP 282 N 1.44 -0.49 0.04 -0.18 5.75 -1.26 -4.97 116.55 116.87 1xsk n ASP 282 Ca -0.09 -1.70 0.20 0.00 -0.01 0.00 0.00 54.79 53.18 1xsk n ASP 282 Cb 0.57 0.92 0.72 0.00 -1.03 0.00 0.00 41.12 42.30 1xsk n ASP 282 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xsk h GLU 283 N 0.00 0.00 0.27 0.11 4.81 -1.88 -2.12 114.58 115.77 1xsk h GLU 283 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1xsk h GLU 283 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1xsk h GLU 283 CO 0.14 0.00 -0.13 0.00 -0.73 0.00 0.00 179.01 178.28 1xsk h ALA 284 N 1.70 -0.37 -0.29 2.92 0.00 -1.96 -3.03 119.26 118.23 1xsk h ALA 284 Ca 0.22 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1xsk h ALA 284 Cb 0.95 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xsk h ALA 284 CO -0.00 -0.42 0.25 1.15 0.00 0.00 0.00 179.25 180.22 1xsk h THR 285 N -0.93 0.65 0.15 0.00 2.02 -1.83 -0.38 112.91 112.59 1xsk h THR 285 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1xsk h THR 285 Cb 0.50 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1xsk h THR 285 CO 0.06 0.00 -0.07 0.58 0.37 0.00 0.00 175.52 176.46 1xsk h VAL 286 N 0.00 1.00 -0.35 3.16 2.07 -1.40 -2.22 116.25 118.51 1xsk h VAL 286 Ca 0.14 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1xsk h VAL 286 Cb 0.64 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1xsk h VAL 286 CO -0.00 0.17 0.07 0.78 0.02 0.00 0.00 177.57 178.62 1xsk h ASN 287 N -0.57 0.46 0.26 0.57 2.35 -1.24 -1.53 115.58 115.88 1xsk h ASN 287 Ca -0.02 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1xsk h ASN 287 Cb 0.44 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1xsk h ASN 287 CO 0.03 0.48 -0.45 -1.28 -1.65 0.00 0.00 177.43 174.56 1xsk h SER 288 N 0.50 -1.29 -0.09 5.81 0.87 -0.94 0.77 113.55 119.18 1xsk h SER 288 Ca 0.12 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1xsk h SER 288 Cb 0.21 0.46 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1xsk h SER 288 CO -0.00 -0.55 0.04 -0.26 -0.53 0.00 0.00 176.83 175.53 1xsk h PHE 289 N -0.78 0.07 -0.27 2.24 0.04 -1.05 0.44 116.94 117.64 1xsk h PHE 289 Ca -0.01 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1xsk h PHE 289 Cb 0.74 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1xsk h PHE 289 CO -0.33 0.04 0.11 0.82 -0.60 0.00 0.00 178.31 178.35 1xsk h ILE 290 N 0.09 0.95 -0.28 -0.55 2.04 -1.10 -0.77 117.51 117.88 1xsk h ILE 290 Ca 0.04 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 1xsk h ILE 290 Cb 0.01 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1xsk h ILE 290 CO -0.03 0.04 -0.32 0.44 0.00 0.00 0.00 178.15 178.28 1xsk h ASP 291 N 0.24 0.61 -0.79 1.72 3.32 -0.78 -2.56 116.42 118.18 1xsk h ASP 291 Ca 0.12 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1xsk h ASP 291 Cb 0.07 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1xsk h ASP 291 CO -0.11 0.89 0.50 1.23 -1.72 0.00 0.00 179.24 180.04 1xsk h GLY 292 N 1.02 1.12 0.73 2.75 0.00 -0.37 0.10 103.07 108.42 1xsk h GLY 292 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xsk h GLY 292 CO 0.07 0.43 -0.03 -0.33 0.00 0.00 0.00 176.54 176.68 1xsk h MET 293 N 1.08 0.21 -0.68 4.80 2.86 -0.92 -2.90 114.93 119.38 1xsk h MET 293 Ca 0.29 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1xsk h MET 293 Cb -0.09 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1xsk h MET 293 CO -0.06 0.52 0.37 0.00 1.06 0.00 0.00 176.91 178.80 1xsk h ALA 294 N 0.69 1.37 0.00 6.32 0.00 -1.07 0.00 119.26 126.58 1xsk h ALA 294 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xsk h ALA 294 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xsk h ALA 294 CO 0.01 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.16 1xsk n GLU 295 N -4.37 0.83 -0.01 0.00 1.02 -0.01 -2.38 120.64 115.71 1xsk n GLU 295 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1xsk n GLU 295 Cb 0.10 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 1xsk n GLU 295 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xsk n ARG 296 N -1.06 2.85 -2.42 3.49 1.74 -0.78 -4.98 116.66 115.50 1xsk n ARG 296 Ca 0.21 -1.48 -0.19 0.00 -0.77 0.00 0.00 57.85 55.61 1xsk n ARG 296 Cb 0.13 -1.01 -0.01 0.00 -1.02 0.00 0.00 32.46 30.55 1xsk n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xsk n ASN 297 N -0.45 -5.58 -4.37 0.55 3.02 -0.94 -4.96 115.26 102.52 1xsk n ASN 297 Ca 0.00 -0.04 -0.45 0.00 -0.03 0.00 0.00 54.58 54.06 1xsk n ASN 297 Cb 0.25 -4.60 -0.05 0.00 -0.61 0.00 0.00 39.78 34.76 1xsk n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xsk s LEU 298 N -5.62 5.49 0.37 3.41 1.43 -0.08 -4.93 118.68 118.75 1xsk s LEU 298 Ca 0.03 -1.43 -0.26 0.00 -1.03 0.00 0.00 54.13 51.44 1xsk s LEU 298 Cb -0.01 -2.30 -0.12 0.00 0.03 0.00 0.00 46.19 43.79 1xsk s LEU 298 CO 0.03 -1.02 1.07 -2.65 0.23 0.00 0.00 176.35 174.01 1xsk n PRO 299 N 6.08 1.51 -3.75 1.29 -0.02 -1.26 -4.30 135.00 134.54 1xsk n PRO 299 Ca -0.10 0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1xsk n PRO 299 Cb 0.42 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.70 1xsk n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xsk s LEU 300 N -0.41 0.80 -0.01 2.45 1.98 -1.26 -4.84 118.68 117.40 1xsk s LEU 300 Ca 0.60 0.25 0.01 0.00 -2.89 0.00 0.00 54.13 52.11 1xsk s LEU 300 Cb -0.59 0.29 -0.02 0.00 0.66 0.00 0.00 46.19 46.53 1xsk s LEU 300 CO 0.59 -0.14 0.02 1.41 -1.89 0.00 0.00 176.35 176.33 1xsk n HIS 301 N 4.17 0.00 -3.94 5.38 8.25 -0.96 -4.86 115.22 123.27 1xsk n HIS 301 Ca -0.26 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.03 1xsk n HIS 301 Cb 0.52 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.42 1xsk n HIS 301 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xsk s VAL 302 N -2.07 0.17 -0.10 1.59 1.01 -0.87 -1.18 120.40 118.95 1xsk s VAL 302 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1xsk s VAL 302 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1xsk s VAL 302 CO 0.06 0.13 -0.08 0.12 0.00 0.00 0.00 175.10 175.32 1xsk s PHE 303 N 0.82 2.91 -0.14 5.22 5.36 0.62 -1.38 117.98 131.39 1xsk s PHE 303 Ca -0.08 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 1xsk s PHE 303 Cb -0.11 -1.79 -0.01 0.00 -0.34 0.00 0.00 43.02 40.77 1xsk s PHE 303 CO -0.01 0.11 -0.15 -1.58 -1.46 0.00 0.00 175.22 172.13 1xsk s HIS 304 N -0.26 2.78 -0.33 10.12 5.65 0.16 -1.03 115.29 132.38 1xsk s HIS 304 Ca 0.03 -0.87 -0.17 0.00 0.25 0.00 0.00 55.06 54.30 1xsk s HIS 304 Cb -0.13 -1.86 -0.01 0.00 -1.18 0.00 0.00 32.58 29.40 1xsk s HIS 304 CO 0.03 -0.36 0.45 -0.06 -0.65 0.00 0.00 174.74 174.15 1xsk s PHE 305 N 0.59 3.20 0.00 3.88 0.08 -0.03 -2.80 117.98 122.91 1xsk s PHE 305 Ca -0.09 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.16 1xsk s PHE 305 Cb -0.16 -2.79 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 1xsk s PHE 305 CO 0.03 -0.44 0.00 -3.47 -0.10 0.00 0.00 175.22 171.24 1xsk n ASP 306 N 5.57 0.00 -0.31 1.36 2.03 -1.26 -1.00 116.55 122.94 1xsk n ASP 306 Ca -0.06 -0.85 0.02 0.00 0.52 0.00 0.00 54.79 54.42 1xsk n ASP 306 Cb 0.49 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.98 1xsk n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xsk n PHE 308 N -5.32 0.00 0.73 0.00 3.72 -1.26 -2.25 117.46 113.08 1xsk n PHE 308 Ca 0.11 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.64 1xsk n PHE 308 Cb 0.39 -0.01 0.49 0.00 -0.94 0.00 0.00 39.48 39.40 1xsk n PHE 308 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 1xsk n TRP 309 N -0.21 0.48 -4.29 1.38 4.27 -0.89 -4.70 117.44 113.47 1xsk n TRP 309 Ca 0.00 0.15 -0.24 0.00 -3.89 0.00 0.00 57.50 53.52 1xsk n TRP 309 Cb 0.03 -0.74 -0.08 0.00 -1.36 0.00 0.00 31.31 29.16 1xsk n TRP 309 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 1xsk s MET 310 N -3.08 2.19 0.44 -2.67 -1.94 -0.95 -1.44 119.30 111.85 1xsk s MET 310 Ca 0.11 -1.56 -0.24 0.00 -1.71 0.00 0.00 55.69 52.28 1xsk s MET 310 Cb 0.14 -2.06 -0.08 0.00 2.01 0.00 0.00 34.83 34.84 1xsk s MET 310 CO 0.52 0.26 1.22 0.15 -0.01 0.00 0.00 175.02 177.16 1xsk s LYS 311 N -3.70 3.83 0.43 2.03 1.02 -1.25 -4.73 119.74 117.38 1xsk s LYS 311 Ca 0.33 1.94 -0.26 0.00 0.02 0.00 0.00 55.97 58.01 1xsk s LYS 311 Cb -0.04 -2.56 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1xsk s LYS 311 CO 0.20 -0.54 1.40 0.00 -0.92 0.00 0.00 175.35 175.49 1xsk n ALA 312 N -0.22 1.90 -0.85 5.17 0.00 -1.26 -2.45 120.51 122.80 1xsk n ALA 312 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1xsk n ALA 312 Cb 0.46 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1xsk n ALA 312 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xsk n PHE 313 N -0.12 0.00 0.04 0.00 3.72 -1.26 -4.77 117.46 115.06 1xsk n PHE 313 Ca 0.05 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.48 1xsk n PHE 313 Cb 0.41 -0.78 0.06 0.00 -0.94 0.00 0.00 39.48 38.22 1xsk n PHE 313 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xsk n GLN 314 N -1.68 1.69 -1.32 -1.08 6.02 -1.03 -3.75 117.38 116.23 1xsk n GLN 314 Ca 0.00 -1.40 -0.60 0.00 -0.01 0.00 0.00 57.00 54.99 1xsk n GLN 314 Cb 0.09 -1.12 -0.11 0.00 1.02 0.00 0.00 30.24 30.11 1xsk n GLN 314 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1xsk n TRP 315 N 0.13 1.26 -1.76 1.08 8.01 -1.25 -3.06 117.44 121.85 1xsk n TRP 315 Ca 0.05 0.83 -0.01 0.00 -1.31 0.00 0.00 57.50 57.06 1xsk n TRP 315 Cb 0.26 -2.19 0.00 0.00 -2.01 0.00 0.00 31.31 27.37 1xsk n TRP 315 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xsk n ASP 317 N -1.41 2.07 -2.63 0.00 5.68 -1.17 -4.76 116.55 114.33 1xsk n ASP 317 Ca -0.01 -1.54 -0.20 0.00 -0.50 0.00 0.00 54.79 52.55 1xsk n ASP 317 Cb 0.51 -0.03 0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1xsk n ASP 317 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1xsk n PHE 318 N 0.63 -1.62 -3.83 2.11 3.72 -1.26 -5.00 117.46 112.21 1xsk n PHE 318 Ca 0.07 0.39 -0.36 0.00 -0.05 0.00 0.00 57.45 57.51 1xsk n PHE 318 Cb 0.30 -4.08 -0.13 0.00 -0.94 0.00 0.00 39.48 34.63 1xsk n PHE 318 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xsk s GLU 319 N -5.47 3.42 0.18 -1.08 0.41 -1.26 -5.08 118.70 109.81 1xsk s GLU 319 Ca 0.23 -0.62 -0.31 0.00 -0.41 0.00 0.00 54.97 53.86 1xsk s GLU 319 Cb -0.10 -3.18 -0.09 0.00 -1.78 0.00 0.00 34.13 28.98 1xsk s GLU 319 CO 0.28 -0.24 1.40 -1.58 -0.49 0.00 0.00 175.26 174.63 1xsk s TRP 320 N 1.53 3.17 -0.61 1.61 0.52 -1.26 -3.91 118.94 119.98 1xsk s TRP 320 Ca 0.05 1.03 -0.27 0.00 0.02 0.00 0.00 56.10 56.93 1xsk s TRP 320 Cb -0.15 -3.72 -0.02 0.00 -1.15 0.00 0.00 33.47 28.43 1xsk s TRP 320 CO 0.00 -2.41 1.84 0.34 0.02 0.00 0.00 176.95 176.74 1xsk s ASP 321 N 0.65 5.31 0.56 2.95 -1.08 -0.52 -4.86 116.67 119.68 1xsk s ASP 321 Ca 0.61 0.31 0.31 0.00 -0.52 0.00 0.00 52.55 53.26 1xsk s ASP 321 Cb -0.39 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.01 1xsk s ASP 321 CO 0.36 -2.35 1.86 -0.65 0.52 0.00 0.00 175.17 174.91 1xsk h PRO 322 N 14.77 0.00 -0.00 4.34 0.11 -1.92 0.16 132.00 149.46 1xsk h PRO 322 Ca -0.26 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.67 1xsk h PRO 322 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1xsk h PRO 322 CO 1.22 0.00 -0.80 -0.07 -0.21 0.00 0.00 178.00 178.14 1xsk h LEU 323 N 0.00 0.12 0.05 2.35 3.38 -1.97 -3.17 115.31 116.07 1xsk h LEU 323 Ca 0.37 -0.10 -0.38 0.00 0.09 0.00 0.00 57.88 57.86 1xsk h LEU 323 Cb 1.62 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.29 1xsk h LEU 323 CO -0.00 0.87 -2.28 0.41 0.09 0.00 0.00 178.44 177.53 1xsk n THR 324 N -3.66 1.61 -3.60 0.22 -1.04 -0.29 -4.76 114.28 102.76 1xsk n THR 324 Ca -0.02 -0.62 -0.27 0.00 -2.04 0.00 0.00 64.05 61.10 1xsk n THR 324 Cb 0.76 -1.51 -0.11 0.00 -1.82 0.00 0.00 70.33 67.65 1xsk n THR 324 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1xsk n PHE 325 N -3.33 0.98 -0.34 -1.42 3.72 0.41 -2.46 117.46 115.01 1xsk n PHE 325 Ca -0.40 -3.76 0.15 0.00 -0.05 0.00 0.00 57.45 53.39 1xsk n PHE 325 Cb 1.02 -0.15 0.35 0.00 -0.94 0.00 0.00 39.48 39.75 1xsk n PHE 325 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xsk h PRO 326 N 5.42 0.60 -2.87 -1.08 0.11 -1.76 -3.35 132.00 129.07 1xsk h PRO 326 Ca 0.21 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.69 1xsk h PRO 326 Cb 0.83 -0.13 -0.40 0.00 0.11 0.00 0.00 31.00 31.41 1xsk h PRO 326 CO 0.53 0.39 -0.79 0.34 -0.21 0.00 0.00 178.00 178.27 1xsk s ASP 327 N -5.27 3.41 0.12 -2.05 2.15 -1.26 -4.97 116.67 108.79 1xsk s ASP 327 Ca -0.11 -2.24 -0.24 0.00 0.43 0.00 0.00 52.55 50.39 1xsk s ASP 327 Cb 0.26 -0.71 -0.05 0.00 -0.30 0.00 0.00 42.92 42.12 1xsk s ASP 327 CO 0.80 -0.31 1.66 -0.65 -0.17 0.00 0.00 175.17 176.49 1xsk h PRO 328 N 7.11 -0.28 -0.42 4.34 0.11 -2.00 -1.63 132.00 139.22 1xsk h PRO 328 Ca -0.01 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.01 1xsk h PRO 328 Cb 0.96 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1xsk h PRO 328 CO 0.39 -0.19 -0.17 1.49 -0.21 0.00 0.00 178.00 179.31 1xsk h GLU 329 N -0.29 0.81 -0.13 1.05 4.81 -1.96 -0.93 114.58 117.93 1xsk h GLU 329 Ca 0.06 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1xsk h GLU 329 Cb 0.38 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xsk h GLU 329 CO -0.19 0.92 0.05 0.78 -0.73 0.00 0.00 179.01 179.84 1xsk h GLY 330 N 0.97 0.22 1.00 1.92 0.00 -1.90 -0.08 103.07 105.20 1xsk h GLY 330 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1xsk h GLY 330 CO 0.05 0.12 0.31 1.98 0.00 0.00 0.00 176.54 179.00 1xsk h MET 331 N 0.05 0.62 -0.43 4.80 1.85 -1.18 -2.09 114.93 118.55 1xsk h MET 331 Ca 0.04 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 1xsk h MET 331 Cb 0.20 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1xsk h MET 331 CO -0.00 0.42 0.12 0.82 -0.40 0.00 0.00 176.91 177.86 1xsk h ILE 332 N 0.64 1.23 -0.03 1.77 2.04 -1.06 -2.36 117.51 119.74 1xsk h ILE 332 Ca 0.17 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1xsk h ILE 332 Cb -0.06 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1xsk h ILE 332 CO -0.04 0.28 -0.19 0.03 0.00 0.00 0.00 178.15 178.23 1xsk h ARG 333 N 0.57 0.05 0.70 2.37 2.47 -0.87 0.12 114.38 119.79 1xsk h ARG 333 Ca 0.14 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1xsk h ARG 333 Cb 0.30 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1xsk h ARG 333 CO -0.00 0.25 -0.33 -0.09 0.56 0.00 0.00 179.97 180.35 1xsk h ARG 334 N 0.05 -0.90 -0.91 0.04 2.43 -1.05 -0.76 114.38 113.28 1xsk h ARG 334 Ca 0.01 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.39 1xsk h ARG 334 Cb 0.37 0.20 -0.10 0.00 -0.42 0.00 0.00 29.97 30.03 1xsk h ARG 334 CO 0.03 -0.60 0.51 -0.07 -1.51 0.00 0.00 179.97 178.32 1xsk h LEU 335 N -1.22 0.65 -1.18 3.80 3.38 -1.26 0.27 115.31 119.76 1xsk h LEU 335 Ca -0.10 0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xsk h LEU 335 Cb 0.72 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1xsk h LEU 335 CO 0.16 0.28 0.56 0.50 0.09 0.00 0.00 178.44 180.02 1xsk h LYS 336 N 0.71 1.09 -0.89 1.13 3.64 -0.90 -1.71 116.57 119.65 1xsk h LYS 336 Ca 0.50 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.85 1xsk h LYS 336 Cb 0.68 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1xsk h LYS 336 CO -0.35 0.72 0.59 0.00 -2.27 0.00 0.00 179.45 178.14 1xsk h ALA 337 N 1.48 1.46 0.00 5.00 0.00 0.11 0.18 119.26 127.49 1xsk h ALA 337 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xsk h ALA 337 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1xsk h ALA 337 CO -0.07 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.26 1xsk n LYS 338 N -4.45 0.82 -0.91 0.00 5.02 -0.66 -4.84 118.16 113.13 1xsk n LYS 338 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1xsk n LYS 338 Cb 0.12 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1xsk n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsk n GLY 339 N 0.26 1.00 3.83 0.72 0.00 0.05 -5.04 105.19 106.01 1xsk n GLY 339 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1xsk n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsk s LEU 340 N 0.00 3.53 0.06 0.99 1.43 -1.09 -4.99 118.68 118.61 1xsk s LEU 340 Ca 0.00 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1xsk s LEU 340 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1xsk s LEU 340 CO 0.00 -0.79 0.14 -0.54 0.23 0.00 0.00 176.35 175.39 1xsk s LYS 341 N -4.24 3.16 -0.10 1.70 -0.14 -0.32 -4.28 119.74 115.52 1xsk s LYS 341 Ca 0.60 -0.55 0.03 0.00 -1.36 0.00 0.00 55.97 54.68 1xsk s LYS 341 Cb -0.12 -2.89 -0.01 0.00 -1.68 0.00 0.00 37.83 33.13 1xsk s LYS 341 CO 0.36 0.60 -0.19 0.42 -0.76 0.00 0.00 175.35 175.78 1xsk s ILE 342 N -1.42 2.52 0.02 2.17 -1.09 -1.26 -0.27 121.20 121.86 1xsk s ILE 342 Ca 0.31 -0.86 0.07 0.00 -2.23 0.00 0.00 60.65 57.93 1xsk s ILE 342 Cb -0.13 -2.00 -0.02 0.00 -1.58 0.00 0.00 42.46 38.73 1xsk s ILE 342 CO 0.24 0.55 -0.20 0.00 -1.23 0.00 0.00 174.94 174.30 1xsk s VAL 344 N -0.68 1.14 0.55 0.00 -7.23 -1.14 -0.85 120.40 112.19 1xsk s VAL 344 Ca 0.07 -1.17 -0.19 0.00 -1.81 0.00 0.00 61.98 58.88 1xsk s VAL 344 Cb -0.08 -1.06 -0.06 0.00 0.56 0.00 0.00 36.38 35.74 1xsk s VAL 344 CO 0.01 -0.11 1.10 0.86 -0.31 0.00 0.00 175.10 176.65 1xsk s TRP 345 N -1.07 2.75 0.09 2.82 -0.00 -0.17 -1.98 118.94 121.39 1xsk s TRP 345 Ca 0.00 1.55 -0.26 0.00 -0.00 0.00 0.00 56.10 57.39 1xsk s TRP 345 Cb -0.09 -3.21 0.08 0.00 -0.00 0.00 0.00 33.47 30.25 1xsk s TRP 345 CO 0.02 -1.40 0.81 0.96 -0.00 0.00 0.00 176.95 177.34 1xsk s ILE 346 N -1.92 0.00 0.25 5.86 -4.36 -0.83 -4.87 121.20 115.32 1xsk s ILE 346 Ca 0.70 -0.19 -0.20 0.00 -0.26 0.00 0.00 60.65 60.70 1xsk s ILE 346 Cb -0.21 -1.25 0.03 0.00 1.25 0.00 0.00 42.46 42.27 1xsk s ILE 346 CO 0.28 0.00 0.65 0.54 0.24 0.00 0.00 174.94 176.65 1xsk s ASN 347 N -2.67 -0.28 -0.09 4.36 4.22 -1.26 -1.62 114.94 117.59 1xsk s ASN 347 Ca 0.06 -0.55 0.05 0.00 -2.14 0.00 0.00 52.86 50.28 1xsk s ASN 347 Cb -0.01 0.68 0.31 0.00 1.28 0.00 0.00 41.25 43.50 1xsk s ASN 347 CO -0.07 -1.24 0.99 -0.81 -2.04 0.00 0.00 177.10 173.93 1xsk n PRO 348 N -0.43 2.42 -4.45 3.55 -0.04 -1.26 -4.89 135.00 129.90 1xsk n PRO 348 Ca -0.06 -1.18 -0.26 0.00 -0.04 0.00 0.00 63.50 61.95 1xsk n PRO 348 Cb 0.61 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 1xsk n PRO 348 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xsk s TYR 349 N -1.64 2.53 -0.17 0.54 2.02 -1.26 -1.74 117.35 117.62 1xsk s TYR 349 Ca 0.21 -0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 56.23 1xsk s TYR 349 Cb 0.16 -1.71 0.06 0.00 -0.40 0.00 0.00 41.96 40.07 1xsk s TYR 349 CO 0.06 0.42 0.41 -1.50 -1.57 0.00 0.00 175.55 173.37 1xsk s ILE 350 N -2.64 -0.10 0.51 2.71 2.07 -0.24 -4.37 121.20 119.14 1xsk s ILE 350 Ca 0.36 0.10 -0.20 0.00 -1.41 0.00 0.00 60.65 59.50 1xsk s ILE 350 Cb 0.06 -0.62 -0.08 0.00 0.13 0.00 0.00 42.46 41.95 1xsk s ILE 350 CO 0.19 0.04 1.06 -0.83 -1.91 0.00 0.00 174.94 173.49 1xsk s GLY 351 N 1.56 2.51 0.32 1.50 0.00 -1.23 -1.05 107.32 110.93 1xsk s GLY 351 Ca -0.09 0.65 0.07 0.00 0.00 0.00 0.00 44.72 45.35 1xsk s GLY 351 CO -0.13 0.97 1.76 -1.61 0.00 0.00 0.00 173.10 174.09 1xsk h GLN 352 N 1.40 0.24 0.00 2.90 4.15 -1.52 -3.01 115.11 119.28 1xsk h GLN 352 Ca -0.49 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 58.83 1xsk h GLN 352 Cb 1.23 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1xsk h GLN 352 CO 0.58 0.55 0.02 -0.22 -1.93 0.00 0.00 178.83 177.84 1xsk h LYS 353 N 0.21 0.00 -6.65 1.69 3.64 -1.79 -3.44 116.57 110.23 1xsk h LYS 353 Ca 0.03 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.89 1xsk h LYS 353 Cb 0.69 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1xsk h LYS 353 CO 0.05 0.00 0.57 0.45 -2.27 0.00 0.00 179.45 178.25 1xsk s SER 354 N -4.83 7.06 0.57 4.20 0.15 -1.14 -4.90 113.70 114.81 1xsk s SER 354 Ca -0.04 2.23 0.34 0.00 0.70 0.00 0.00 55.95 59.18 1xsk s SER 354 Cb 0.11 -2.60 1.88 0.00 -1.71 0.00 0.00 66.02 63.69 1xsk s SER 354 CO 0.35 -0.40 2.05 -0.65 1.20 0.00 0.00 173.24 175.79 1xsk h PRO 355 N 5.43 0.00 0.06 5.44 0.11 -1.91 -0.51 132.00 140.61 1xsk h PRO 355 Ca -0.44 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.43 1xsk h PRO 355 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xsk h PRO 355 CO 0.76 0.00 -1.07 0.28 -0.21 0.00 0.00 178.00 177.75 1xsk h VAL 356 N 0.00 1.56 -0.63 3.15 2.07 -1.92 -3.37 116.25 117.10 1xsk h VAL 356 Ca 0.00 -3.03 0.12 0.00 0.82 0.00 0.00 66.70 64.60 1xsk h VAL 356 Cb 0.17 2.78 -0.12 0.00 -1.52 0.00 0.00 31.29 32.61 1xsk h VAL 356 CO 0.00 0.88 -0.29 0.15 0.02 0.00 0.00 177.57 178.33 1xsk h PHE 357 N 0.07 -0.77 -0.89 1.57 3.04 -1.36 -1.15 116.94 117.45 1xsk h PHE 357 Ca -0.08 0.07 0.03 0.00 3.98 0.00 0.00 57.97 61.97 1xsk h PHE 357 Cb 1.79 0.43 -0.05 0.00 2.56 0.00 0.00 35.95 40.68 1xsk h PHE 357 CO 0.04 -0.36 0.57 -0.22 -2.02 0.00 0.00 178.31 176.32 1xsk h LYS 358 N -0.11 1.09 -0.66 1.11 3.64 -1.74 -0.54 116.57 119.36 1xsk h LYS 358 Ca 0.27 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1xsk h LYS 358 Cb 0.54 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1xsk h LYS 358 CO -0.70 0.72 0.23 1.49 -2.27 0.00 0.00 179.45 178.92 1xsk h GLU 359 N 1.13 1.01 -0.39 1.90 4.81 -1.44 -1.26 114.58 120.34 1xsk h GLU 359 Ca 0.35 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 1xsk h GLU 359 Cb -0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1xsk h GLU 359 CO -0.11 0.87 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.59 1xsk h LEU 360 N 0.95 0.99 -0.93 1.64 3.38 -0.91 -1.87 115.31 118.57 1xsk h LEU 360 Ca 0.22 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1xsk h LEU 360 Cb 0.26 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1xsk h LEU 360 CO -0.01 1.25 0.42 -0.61 0.09 0.00 0.00 178.44 179.58 1xsk h GLN 361 N 0.76 1.19 0.00 1.13 4.15 -0.92 -0.54 115.11 120.88 1xsk h GLN 361 Ca 0.06 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1xsk h GLN 361 Cb 0.97 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 1xsk h GLN 361 CO 0.09 0.90 -0.05 0.93 -1.93 0.00 0.00 178.83 178.77 1xsk h GLU 362 N 1.18 0.00 -0.00 1.69 5.08 -1.10 -2.92 114.58 118.51 1xsk h GLU 362 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1xsk h GLU 362 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xsk h GLU 362 CO -0.04 0.05 -0.49 1.63 -1.00 0.00 0.00 179.01 179.16 1xsk n LYS 363 N -3.12 0.42 -2.82 2.33 5.02 -0.71 -4.97 118.16 114.31 1xsk n LYS 363 Ca 0.03 -0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 55.97 1xsk n LYS 363 Cb 0.51 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1xsk n LYS 363 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xsk n GLY 364 N 1.44 0.48 0.27 0.72 0.00 -0.35 -4.97 105.19 102.78 1xsk n GLY 364 Ca 0.08 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1xsk n GLY 364 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xsk n TYR 365 N -3.30 0.00 -3.90 1.61 4.01 -0.37 -4.95 117.16 110.26 1xsk n TYR 365 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 1xsk n TYR 365 Cb 0.52 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 1xsk n TYR 365 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsk s LEU 366 N -2.66 4.33 0.15 7.72 1.43 -1.26 -1.22 118.68 127.17 1xsk s LEU 366 Ca 0.17 0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.18 1xsk s LEU 366 Cb 0.18 -2.96 -0.10 0.00 0.03 0.00 0.00 46.19 43.33 1xsk s LEU 366 CO 0.64 0.07 1.67 -0.22 0.23 0.00 0.00 176.35 178.74 1xsk s LEU 367 N -3.07 4.37 0.12 1.79 2.96 0.51 -4.75 118.68 120.61 1xsk s LEU 367 Ca 0.35 2.67 0.05 0.00 -0.22 0.00 0.00 54.13 56.99 1xsk s LEU 367 Cb -0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1xsk s LEU 367 CO 0.28 -0.91 0.02 -0.54 -1.32 0.00 0.00 176.35 173.89 1xsk s LYS 368 N 1.78 2.57 0.81 1.98 1.02 -1.26 -1.59 119.74 125.06 1xsk s LYS 368 Ca 0.74 -0.89 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 1xsk s LYS 368 Cb -0.45 -2.52 0.08 0.00 -0.52 0.00 0.00 37.83 34.42 1xsk s LYS 368 CO 0.33 0.52 1.11 1.03 -0.92 0.00 0.00 175.35 177.42 1xsk s ARG 369 N -2.55 1.97 0.38 1.68 0.52 0.56 -0.72 118.95 120.80 1xsk s ARG 369 Ca 0.27 0.48 0.11 0.00 -0.52 0.00 0.00 55.73 56.06 1xsk s ARG 369 Cb -0.11 -1.92 0.89 0.00 0.52 0.00 0.00 34.95 34.33 1xsk s ARG 369 CO 0.19 -1.66 1.91 -1.35 0.02 0.00 0.00 175.30 174.41 1xsk h PRO 370 N -1.11 0.58 0.00 3.54 0.11 -1.84 -1.51 132.00 131.76 1xsk h PRO 370 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xsk h PRO 370 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xsk h PRO 370 CO 0.61 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 1xsk n ASP 371 N -4.51 0.00 0.00 -2.05 5.68 -1.26 -4.85 116.55 109.56 1xsk n ASP 371 Ca 0.15 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1xsk n ASP 371 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1xsk n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsk n GLY 372 N 0.17 1.50 3.90 6.12 0.00 -0.57 -5.05 105.19 111.26 1xsk n GLY 372 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1xsk n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsk s SER 373 N -2.62 5.41 0.28 1.61 1.04 -1.26 -4.80 113.70 113.38 1xsk s SER 373 Ca 0.00 0.89 -0.28 0.00 0.48 0.00 0.00 55.95 57.04 1xsk s SER 373 Cb 0.00 -1.74 -0.09 0.00 0.10 0.00 0.00 66.02 64.28 1xsk s SER 373 CO 0.00 -1.27 0.97 -0.76 0.98 0.00 0.00 173.24 173.16 1xsk s LEU 374 N -5.21 4.50 0.18 2.42 1.43 -1.26 -0.32 118.68 120.42 1xsk s LEU 374 Ca 0.57 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 55.32 1xsk s LEU 374 Cb -0.11 -3.79 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 1xsk s LEU 374 CO 0.48 0.00 1.04 0.86 0.23 0.00 0.00 176.35 178.96 1xsk s TRP 375 N -1.36 3.71 0.21 0.29 -0.00 -0.62 -4.68 118.94 116.48 1xsk s TRP 375 Ca 0.46 1.71 -0.18 0.00 -0.00 0.00 0.00 56.10 58.08 1xsk s TRP 375 Cb -0.24 -3.17 0.03 0.00 -0.00 0.00 0.00 33.47 30.09 1xsk s TRP 375 CO 0.30 -0.23 0.56 -0.65 -0.00 0.00 0.00 176.95 176.93 1xsk s GLN 376 N -0.50 1.45 0.06 5.86 -0.21 -1.26 -4.53 119.66 120.52 1xsk s GLN 376 Ca 0.47 -0.87 -0.27 0.00 0.02 0.00 0.00 55.36 54.70 1xsk s GLN 376 Cb -0.28 0.54 0.10 0.00 1.00 0.00 0.00 33.01 34.37 1xsk s GLN 376 CO 0.34 -0.63 1.16 1.67 -2.12 0.00 0.00 175.29 175.71 1xsk s TRP 377 N -3.88 -0.04 -0.38 0.91 1.48 -1.20 -4.97 118.94 110.86 1xsk s TRP 377 Ca 0.10 -0.17 0.06 0.00 -1.06 0.00 0.00 56.10 55.03 1xsk s TRP 377 Cb -0.02 0.60 0.57 0.00 -1.16 0.00 0.00 33.47 33.46 1xsk s TRP 377 CO -0.01 -0.52 1.69 -0.25 -4.06 0.00 0.00 176.95 173.79 1xsk n ASP 378 N -0.67 3.38 -4.80 -2.66 8.00 -1.26 -1.05 116.55 117.49 1xsk n ASP 378 Ca -0.05 -3.72 -0.38 0.00 0.71 0.00 0.00 54.79 51.35 1xsk n ASP 378 Cb 0.61 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1xsk n ASP 378 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xsk s LYS 379 N -3.32 4.04 0.00 -1.24 1.02 -1.26 -4.55 119.74 114.43 1xsk s LYS 379 Ca 0.51 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1xsk s LYS 379 Cb 0.45 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1xsk s LYS 379 CO 0.05 0.52 0.00 1.87 -0.92 0.00 0.00 175.35 176.87 1xsk n TRP 380 N 2.44 0.00 -4.46 3.18 -0.00 -1.26 -4.75 117.44 112.60 1xsk n TRP 380 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.08 1xsk n TRP 380 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.70 1xsk n TRP 380 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xsk s GLN 381 N 0.00 1.57 0.13 5.87 -1.52 -1.26 -5.03 119.66 119.42 1xsk s GLN 381 Ca 0.00 -1.26 -0.31 0.00 -1.95 0.00 0.00 55.36 51.84 1xsk s GLN 381 Cb 0.00 -1.97 -0.08 0.00 -0.22 0.00 0.00 33.01 30.74 1xsk s GLN 381 CO 0.00 0.47 1.32 -1.25 -0.25 0.00 0.00 175.29 175.58 1xsk s PRO 382 N -1.93 4.37 -1.66 2.91 0.04 -1.26 -2.67 135.00 134.79 1xsk s PRO 382 Ca 0.15 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 1xsk s PRO 382 Cb -0.10 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1xsk s PRO 382 CO 0.06 -0.34 0.29 0.41 0.04 0.00 0.00 177.00 177.46 1xsk n GLY 383 N 3.05 -0.49 3.70 0.56 0.00 -1.09 -2.17 105.19 108.75 1xsk n GLY 383 Ca 0.09 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1xsk n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xsk n LEU 384 N -3.45 3.84 -4.68 0.99 0.00 -0.22 -3.72 117.00 109.77 1xsk n LEU 384 Ca -0.18 1.05 -0.25 0.00 0.00 0.00 0.00 56.01 56.63 1xsk n LEU 384 Cb 0.66 -1.54 -0.08 0.00 0.00 0.00 0.00 43.42 42.45 1xsk n LEU 384 CO 0.37 0.10 -0.23 0.00 0.00 0.00 0.00 177.39 177.63 1xsk s ALA 385 N 1.43 3.38 -0.07 1.96 0.00 -0.22 -3.21 121.76 125.04 1xsk s ALA 385 Ca 0.77 -2.09 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1xsk s ALA 385 Cb -0.53 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 1xsk s ALA 385 CO 0.34 -0.08 -0.21 0.42 0.00 0.00 0.00 175.76 176.23 1xsk s ILE 386 N -2.59 1.78 0.35 0.00 1.01 -1.26 -1.08 121.20 119.40 1xsk s ILE 386 Ca 0.38 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 1xsk s ILE 386 Cb 0.04 -1.53 -0.10 0.00 0.01 0.00 0.00 42.46 40.87 1xsk s ILE 386 CO 0.21 0.50 1.36 -0.31 0.00 0.00 0.00 174.94 176.70 1xsk s TYR 387 N 0.12 2.90 -0.66 3.97 1.51 -0.71 -0.36 117.35 124.12 1xsk s TYR 387 Ca -0.09 1.34 -0.16 0.00 -1.01 0.00 0.00 57.07 57.15 1xsk s TYR 387 Cb -0.15 -3.79 0.16 0.00 -0.11 0.00 0.00 41.96 38.07 1xsk s TYR 387 CO 0.05 -2.21 0.64 0.34 -1.11 0.00 0.00 175.55 173.26 1xsk s ASP 388 N -0.38 6.40 0.00 2.29 -1.08 -0.36 -4.67 116.67 118.86 1xsk s ASP 388 Ca 0.50 -2.05 0.09 0.00 -0.52 0.00 0.00 52.55 50.57 1xsk s ASP 388 Cb -0.42 -2.23 0.52 0.00 -1.46 0.00 0.00 42.92 39.34 1xsk s ASP 388 CO 0.56 -0.81 1.21 0.49 0.52 0.00 0.00 175.17 177.14 1xsk n PHE 389 N 5.04 0.00 1.05 -5.34 0.99 -1.26 -1.95 117.46 115.99 1xsk n PHE 389 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.54 1xsk n PHE 389 Cb 0.43 0.00 0.12 0.00 -1.00 0.00 0.00 39.48 39.03 1xsk n PHE 389 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xsk n THR 390 N -0.66 0.00 -3.18 4.37 -2.24 -1.26 -4.75 114.28 106.56 1xsk n THR 390 Ca 0.07 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1xsk n THR 390 Cb 0.03 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1xsk n THR 390 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xsk s ASN 391 N -2.81 6.29 0.41 3.42 3.84 -0.82 -4.26 114.94 121.01 1xsk s ASN 391 Ca 0.14 -0.40 0.16 0.00 0.21 0.00 0.00 52.86 52.98 1xsk s ASN 391 Cb 0.18 -2.29 1.05 0.00 -0.55 0.00 0.00 41.25 39.64 1xsk s ASN 391 CO 0.69 -0.70 1.86 -0.65 -2.79 0.00 0.00 177.10 175.51 1xsk h PRO 392 N 8.80 0.42 0.00 0.43 0.11 -1.86 -1.11 132.00 138.79 1xsk h PRO 392 Ca -0.26 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.68 1xsk h PRO 392 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1xsk h PRO 392 CO 0.86 0.28 -0.67 -0.44 -0.21 0.00 0.00 178.00 177.81 1xsk h ASP 393 N 0.43 0.00 -0.27 -2.05 3.32 -1.93 -2.23 116.42 113.70 1xsk h ASP 393 Ca 0.46 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.32 1xsk h ASP 393 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1xsk h ASP 393 CO -0.18 0.67 -0.56 0.00 -1.72 0.00 0.00 179.24 177.46 1xsk h ALA 394 N 1.33 0.47 -0.30 3.45 0.00 -1.51 -1.65 119.26 121.05 1xsk h ALA 394 Ca -0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xsk h ALA 394 Cb 1.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1xsk h ALA 394 CO 0.09 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.19 1xsk h LYS 396 N 0.36 0.94 -0.09 0.00 3.64 -1.33 -0.24 116.57 119.86 1xsk h LYS 396 Ca 0.10 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xsk h LYS 396 Cb 0.05 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1xsk h LYS 396 CO -0.02 0.71 0.00 2.35 -2.27 0.00 0.00 179.45 180.22 1xsk h TRP 397 N 0.94 0.17 -0.45 1.91 7.01 -0.88 -1.82 115.95 122.83 1xsk h TRP 397 Ca 0.23 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1xsk h TRP 397 Cb 0.06 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 1xsk h TRP 397 CO 0.01 0.40 0.22 -0.92 -2.79 0.00 0.00 178.44 175.36 1xsk h TYR 398 N -0.12 0.64 -0.74 2.65 3.20 -1.06 -2.77 116.97 118.78 1xsk h TYR 398 Ca 0.03 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xsk h TYR 398 Cb 0.34 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1xsk h TYR 398 CO 0.03 0.52 0.48 0.00 -1.64 0.00 0.00 178.16 177.55 1xsk h ALA 399 N 1.06 0.94 -0.12 1.82 0.00 -1.02 -2.24 119.26 119.70 1xsk h ALA 399 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xsk h ALA 399 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xsk h ALA 399 CO -0.02 0.37 -0.10 -0.44 0.00 0.00 0.00 179.25 179.05 1xsk h ASP 400 N 1.00 0.17 -0.00 0.00 3.32 -1.16 -0.16 116.42 119.59 1xsk h ASP 400 Ca 0.27 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 1xsk h ASP 400 Cb -0.10 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1xsk h ASP 400 CO -0.06 0.31 -0.42 0.11 -1.72 0.00 0.00 179.24 177.46 1xsk h LYS 401 N 0.18 0.52 -0.37 3.56 1.79 -1.14 -2.15 116.57 118.96 1xsk h LYS 401 Ca 0.04 -0.27 -0.13 0.00 -2.18 0.00 0.00 60.65 58.11 1xsk h LYS 401 Cb 0.31 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1xsk h LYS 401 CO 0.02 0.85 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.87 1xsk h LEU 402 N 0.43 0.89 -1.66 2.94 3.38 -0.74 -2.64 115.31 117.91 1xsk h LEU 402 Ca 0.04 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1xsk h LEU 402 Cb 0.91 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1xsk h LEU 402 CO 0.08 1.15 -0.18 0.11 0.09 0.00 0.00 178.44 179.68 1xsk h LYS 403 N 0.64 0.00 -0.09 1.13 1.57 -0.98 -1.30 116.57 117.54 1xsk h LYS 403 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1xsk h LYS 403 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1xsk h LYS 403 CO 0.08 0.18 -0.53 0.78 -0.57 0.00 0.00 179.45 179.39 1xsk h GLY 404 N 1.07 0.28 1.39 3.86 0.00 -1.05 -1.44 103.07 107.18 1xsk h GLY 404 Ca -0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 47.33 46.80 1xsk h GLY 404 CO 0.02 0.28 -0.85 1.41 0.00 0.00 0.00 176.54 177.40 1xsk h LEU 405 N 0.20 0.71 0.00 3.11 3.38 -0.93 -3.17 115.31 118.61 1xsk h LEU 405 Ca 0.00 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1xsk h LEU 405 Cb 0.99 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1xsk h LEU 405 CO 0.08 1.29 -0.00 0.58 0.09 0.00 0.00 178.44 180.48 1xsk h VAL 406 N 0.37 1.31 0.00 1.22 2.07 -1.21 -2.39 116.25 117.62 1xsk h VAL 406 Ca -0.07 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1xsk h VAL 406 Cb 1.47 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1xsk h VAL 406 CO 0.16 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1xsk n ALA 407 N -2.30 1.50 1.02 1.67 0.00 -0.55 -0.01 120.51 121.85 1xsk n ALA 407 Ca -0.08 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1xsk n ALA 407 Cb 0.21 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.58 1xsk n ALA 407 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1xsk n MET 408 N -1.22 0.76 0.00 0.00 0.00 -0.96 -4.97 117.12 110.73 1xsk n MET 408 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 57.70 57.12 1xsk n MET 408 Cb 0.04 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.77 1xsk n MET 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xsk n GLY 409 N 1.44 1.16 3.68 -5.12 0.00 0.99 -4.71 105.19 102.64 1xsk n GLY 409 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1xsk n GLY 409 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xsk n VAL 410 N 0.00 1.20 -0.11 1.61 0.31 -0.94 -4.72 118.33 115.68 1xsk n VAL 410 Ca 0.00 -0.30 -0.19 0.00 -0.01 0.00 0.00 64.34 63.84 1xsk n VAL 410 Cb 0.00 -1.51 -0.12 0.00 -0.91 0.00 0.00 33.84 31.30 1xsk n VAL 410 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsk n ASP 411 N 1.84 2.00 -3.39 4.52 8.00 0.77 -4.35 116.55 125.94 1xsk n ASP 411 Ca 0.10 -0.07 -0.16 0.00 0.71 0.00 0.00 54.79 55.37 1xsk n ASP 411 Cb 0.33 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1xsk n ASP 411 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xsk s PHE 413 N -3.32 0.65 -0.53 0.00 0.40 -1.25 -2.90 117.98 111.03 1xsk s PHE 413 Ca 0.35 -0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 56.24 1xsk s PHE 413 Cb 0.01 -0.40 0.10 0.00 0.51 0.00 0.00 43.02 43.24 1xsk s PHE 413 CO 0.22 -0.03 0.54 0.21 0.70 0.00 0.00 175.22 176.86 1xsk s LYS 414 N -0.76 3.02 -1.11 0.44 2.20 -0.84 -1.58 119.74 121.11 1xsk s LYS 414 Ca -0.02 -1.44 -0.19 0.00 -0.36 0.00 0.00 55.97 53.96 1xsk s LYS 414 Cb -0.06 -4.23 0.10 0.00 -1.51 0.00 0.00 37.83 32.13 1xsk s LYS 414 CO 0.00 -1.31 1.44 0.95 -0.36 0.00 0.00 175.35 176.08 1xsk s THR 415 N 2.01 4.38 0.87 3.43 -4.23 -0.58 -1.97 115.64 119.55 1xsk s THR 415 Ca 0.07 -1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1xsk s THR 415 Cb -0.26 -5.00 0.12 0.00 1.34 0.00 0.00 72.50 68.70 1xsk s THR 415 CO 0.06 -1.80 1.19 -0.62 -0.54 0.00 0.00 174.62 172.91 1xsk s ASP 416 N 4.05 3.95 0.32 3.99 -1.08 -0.64 -2.53 116.67 124.72 1xsk s ASP 416 Ca 0.44 0.72 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1xsk s ASP 416 Cb -0.01 -1.15 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 1xsk s ASP 416 CO -0.03 -2.25 0.00 0.49 0.52 0.00 0.00 175.17 173.89 1xsk n PHE 417 N -3.53 -0.19 0.00 -5.34 3.01 -1.26 -4.48 117.46 105.67 1xsk n PHE 417 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1xsk n PHE 417 Cb 0.60 0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 1xsk n PHE 417 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xsk n GLY 418 N 0.00 1.09 0.09 1.37 0.00 -1.26 -4.27 105.19 102.21 1xsk n GLY 418 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1xsk n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xsk n GLU 419 N -1.70 0.86 -1.76 1.61 0.00 -1.26 -4.23 120.64 114.16 1xsk n GLU 419 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 57.16 56.81 1xsk n GLU 419 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.05 1xsk n GLU 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xsk n ARG 420 N -2.89 2.86 -3.35 3.44 1.74 -1.26 -4.54 116.66 112.67 1xsk n ARG 420 Ca -0.31 -2.62 -0.41 0.00 -0.77 0.00 0.00 57.85 53.74 1xsk n ARG 420 Cb 0.91 -3.29 -0.09 0.00 -1.02 0.00 0.00 32.46 28.97 1xsk n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xsk s ILE 421 N 3.22 5.12 0.67 0.55 -1.09 -1.26 -5.07 121.20 123.34 1xsk s ILE 421 Ca 0.47 0.13 -0.17 0.00 -2.23 0.00 0.00 60.65 58.86 1xsk s ILE 421 Cb 0.14 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1xsk s ILE 421 CO -0.08 -0.14 1.21 -2.16 -1.23 0.00 0.00 174.94 172.54 1xsk s PRO 422 N 2.14 2.49 -0.11 2.79 0.04 -1.26 -4.74 135.00 136.35 1xsk s PRO 422 Ca 0.14 1.80 0.19 0.00 0.04 0.00 0.00 61.00 63.17 1xsk s PRO 422 Cb -0.16 -1.87 -0.28 0.00 0.04 0.00 0.00 34.50 32.23 1xsk s PRO 422 CO 0.12 -1.57 0.25 0.25 0.04 0.00 0.00 177.00 176.09 1xsk n THR 423 N -2.24 0.68 -1.67 1.26 -2.24 -1.26 -4.65 114.28 104.16 1xsk n THR 423 Ca 0.14 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1xsk n THR 423 Cb 0.50 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1xsk n THR 423 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xsk n ASP 424 N -2.47 6.02 -3.67 3.42 3.85 -1.26 -4.79 116.55 117.65 1xsk n ASP 424 Ca -0.18 -2.80 -0.12 0.00 -0.71 0.00 0.00 54.79 50.99 1xsk n ASP 424 Cb 0.84 -1.58 -0.05 0.00 -1.35 0.00 0.00 41.12 38.98 1xsk n ASP 424 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1xsk s VAL 425 N 2.20 0.00 -0.17 2.12 -7.23 -1.26 -4.53 120.40 111.53 1xsk s VAL 425 Ca 0.55 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1xsk s VAL 425 Cb 0.15 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.70 1xsk s VAL 425 CO -0.07 0.00 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.13 1xsk s GLN 426 N -3.57 1.05 0.39 4.82 0.74 0.10 -4.71 119.66 118.49 1xsk s GLN 426 Ca 0.27 -0.46 -0.25 0.00 0.05 0.00 0.00 55.36 54.97 1xsk s GLN 426 Cb -0.00 -1.98 -0.09 0.00 1.10 0.00 0.00 33.01 32.04 1xsk s GLN 426 CO 0.14 -0.51 1.10 -1.58 -0.55 0.00 0.00 175.29 173.89 1xsk s TRP 427 N 1.73 3.20 0.30 1.67 0.52 -1.26 -4.20 118.94 120.90 1xsk s TRP 427 Ca -0.00 1.61 0.06 0.00 0.02 0.00 0.00 56.10 57.79 1xsk s TRP 427 Cb -0.16 -3.25 0.79 0.00 -1.15 0.00 0.00 33.47 29.70 1xsk s TRP 427 CO -0.07 -0.92 1.70 0.35 0.02 0.00 0.00 176.95 178.03 1xsk h PHE 428 N 2.62 0.75 -0.01 -1.98 3.57 -1.95 0.47 116.94 120.41 1xsk h PHE 428 Ca -0.48 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1xsk h PHE 428 Cb 1.22 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1xsk h PHE 428 CO 0.57 -0.03 -0.08 -0.40 -2.23 0.00 0.00 178.31 176.14 1xsk n ASP 429 N -5.01 0.89 -0.82 0.41 5.75 -1.26 -4.94 116.55 111.57 1xsk n ASP 429 Ca 0.24 -1.06 -0.07 0.00 -0.01 0.00 0.00 54.79 53.89 1xsk n ASP 429 Cb 0.70 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1xsk n ASP 429 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xsk n GLY 430 N 1.20 0.08 3.78 6.12 0.00 0.16 -5.02 105.19 111.52 1xsk n GLY 430 Ca 0.17 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1xsk n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsk s SER 431 N -2.68 5.55 -0.08 1.61 0.01 -1.26 -4.89 113.70 111.96 1xsk s SER 431 Ca 0.00 1.96 -0.29 0.00 1.31 0.00 0.00 55.95 58.93 1xsk s SER 431 Cb -0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1xsk s SER 431 CO 0.00 -1.33 1.96 -0.62 0.41 0.00 0.00 173.24 173.66 1xsk s ASP 432 N -2.47 6.17 0.39 2.44 -1.08 0.23 -4.60 116.67 117.74 1xsk s ASP 432 Ca 0.67 2.25 0.12 0.00 -0.52 0.00 0.00 52.55 55.07 1xsk s ASP 432 Cb -0.19 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.66 1xsk s ASP 432 CO 0.36 -1.33 1.90 -0.65 0.52 0.00 0.00 175.17 175.96 1xsk h PRO 433 N 11.80 0.55 0.00 4.34 0.11 -1.88 -1.54 132.00 145.38 1xsk h PRO 433 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1xsk h PRO 433 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xsk h PRO 433 CO 0.96 0.37 -0.16 1.96 -0.21 0.00 0.00 178.00 180.92 1xsk h GLN 434 N 0.57 0.00 0.00 1.05 1.08 -1.89 -2.84 115.11 113.08 1xsk h GLN 434 Ca 0.40 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.36 1xsk h GLN 434 Cb 0.75 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1xsk h GLN 434 CO -0.16 0.16 -1.68 1.63 -0.95 0.00 0.00 178.83 177.83 1xsk n LYS 435 N -3.65 0.63 0.20 1.46 5.02 -0.63 -4.12 118.16 117.07 1xsk n LYS 435 Ca -0.02 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.56 1xsk n LYS 435 Cb 0.28 -1.76 0.41 0.00 -0.02 0.00 0.00 35.03 33.93 1xsk n LYS 435 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1xsk h MET 436 N 0.00 0.00 -0.35 1.97 2.86 -1.19 -2.95 114.93 115.27 1xsk h MET 436 Ca -0.26 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1xsk h MET 436 Cb 1.85 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.43 1xsk h MET 436 CO 0.06 0.34 -0.45 1.25 1.06 0.00 0.00 176.91 179.17 1xsk h HIS 437 N 0.00 -1.31 0.11 -0.22 6.17 -1.68 -1.05 115.15 117.17 1xsk h HIS 437 Ca -0.00 0.07 -0.16 0.00 0.71 0.00 0.00 60.37 60.98 1xsk h HIS 437 Cb 0.75 0.62 0.02 0.00 2.52 0.00 0.00 27.41 31.32 1xsk h HIS 437 CO 0.00 -0.46 -0.72 -0.91 0.71 0.00 0.00 177.93 176.55 1xsk h ASN 438 N -0.37 0.38 0.00 3.26 2.35 -1.78 -3.34 115.58 116.07 1xsk h ASN 438 Ca 0.12 -0.95 0.00 0.00 -0.55 0.00 0.00 56.30 54.92 1xsk h ASN 438 Cb 0.60 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1xsk h ASN 438 CO -0.54 1.34 0.00 -0.74 -1.65 0.00 0.00 177.43 175.84 1xsk h HIS 439 N -0.49 0.00 -0.77 1.19 2.76 -1.47 -2.36 115.15 114.01 1xsk h HIS 439 Ca -0.13 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.06 1xsk h HIS 439 Cb 1.54 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.45 1xsk h HIS 439 CO 0.21 0.00 0.49 -0.92 -1.30 0.00 0.00 177.93 176.41 1xsk h TYR 440 N 0.00 0.93 -0.63 5.26 3.20 -1.31 -1.84 116.97 122.58 1xsk h TYR 440 Ca 0.00 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.02 1xsk h TYR 440 Cb 0.00 -0.31 -0.09 0.00 1.54 0.00 0.00 36.73 37.87 1xsk h TYR 440 CO 0.00 0.55 0.14 0.00 -1.64 0.00 0.00 178.16 177.21 1xsk h ALA 441 N 1.31 0.76 -0.16 1.82 0.00 -1.59 0.17 119.26 121.57 1xsk h ALA 441 Ca 0.30 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1xsk h ALA 441 Cb -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xsk h ALA 441 CO -0.10 -0.31 0.02 -0.92 0.00 0.00 0.00 179.25 177.95 1xsk h TYR 442 N 0.26 0.28 -0.36 0.00 3.20 -1.55 -1.07 116.97 117.73 1xsk h TYR 442 Ca 0.34 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1xsk h TYR 442 Cb 0.52 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1xsk h TYR 442 CO -0.25 0.44 0.20 0.82 -1.64 0.00 0.00 178.16 177.72 1xsk h ILE 443 N 0.04 1.14 0.60 1.81 1.08 -0.78 0.20 117.51 121.61 1xsk h ILE 443 Ca 0.05 -0.36 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 1xsk h ILE 443 Cb 0.31 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1xsk h ILE 443 CO 0.00 0.14 -0.38 0.22 -0.69 0.00 0.00 178.15 177.45 1xsk h TYR 444 N 0.46 -1.00 -0.79 1.37 -0.00 -0.65 -1.47 116.97 114.90 1xsk h TYR 444 Ca 0.13 -0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.88 1xsk h TYR 444 Cb 0.05 0.36 -0.04 0.00 -0.00 0.00 0.00 36.73 37.10 1xsk h TYR 444 CO -0.03 -0.56 0.52 -0.91 -0.00 0.00 0.00 178.16 177.18 1xsk h ASN 445 N -0.92 0.85 -0.73 -2.11 2.35 -1.18 -1.33 115.58 112.51 1xsk h ASN 445 Ca -0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1xsk h ASN 445 Cb 0.74 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1xsk h ASN 445 CO 0.08 0.59 0.47 -0.08 -1.65 0.00 0.00 177.43 176.84 1xsk h GLU 446 N 0.98 0.97 0.06 0.81 4.81 -0.46 -0.53 114.58 121.23 1xsk h GLU 446 Ca 0.31 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1xsk h GLU 446 Cb 0.01 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1xsk h GLU 446 CO -0.09 0.66 -0.03 1.25 -0.73 0.00 0.00 179.01 180.07 1xsk h LEU 447 N 1.00 -0.06 -0.39 1.64 6.46 -0.14 -1.79 115.31 122.02 1xsk h LEU 447 Ca 0.27 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1xsk h LEU 447 Cb -0.09 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 1xsk h LEU 447 CO -0.06 0.18 0.23 0.58 -0.62 0.00 0.00 178.44 178.75 1xsk h VAL 448 N -0.31 1.12 -0.93 1.05 2.07 -1.20 -2.35 116.25 115.70 1xsk h VAL 448 Ca -0.01 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.33 1xsk h VAL 448 Cb 0.27 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1xsk h VAL 448 CO 0.01 0.13 0.56 -0.25 0.02 0.00 0.00 177.57 178.04 1xsk h TRP 449 N 0.51 1.03 0.00 1.57 2.91 -1.05 0.34 115.95 121.25 1xsk h TRP 449 Ca 0.14 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1xsk h TRP 449 Cb -0.00 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.33 1xsk h TRP 449 CO -0.04 0.42 0.00 -0.91 -1.03 0.00 0.00 178.44 176.89 1xsk h ASN 450 N 0.93 0.00 0.31 2.65 2.35 -0.96 -0.71 115.58 120.14 1xsk h ASN 450 Ca 0.45 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.18 1xsk h ASN 450 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1xsk h ASN 450 CO -0.25 0.00 -0.15 0.58 -1.65 0.00 0.00 177.43 175.96 1xsk h VAL 451 N 0.00 0.23 -0.56 2.81 2.07 -0.44 -2.22 116.25 118.14 1xsk h VAL 451 Ca 0.00 -0.77 0.11 0.00 0.82 0.00 0.00 66.70 66.86 1xsk h VAL 451 Cb 0.63 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1xsk h VAL 451 CO 0.00 0.06 -0.07 -0.07 0.02 0.00 0.00 177.57 177.51 1xsk h LEU 452 N -1.06 -0.40 -0.90 2.57 4.07 -1.26 -0.75 115.31 117.58 1xsk h LEU 452 Ca -0.04 0.15 0.06 0.00 0.08 0.00 0.00 57.88 58.14 1xsk h LEU 452 Cb 0.42 0.30 -0.06 0.00 1.08 0.00 0.00 40.66 42.40 1xsk h LEU 452 CO 0.07 -0.15 0.57 0.50 -1.08 0.00 0.00 178.44 178.35 1xsk h LYS 453 N 0.05 1.00 0.00 1.13 3.64 -1.17 0.73 116.57 121.94 1xsk h LYS 453 Ca 0.28 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1xsk h LYS 453 Cb 0.44 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1xsk h LYS 453 CO -0.53 0.66 0.00 -0.25 -2.27 0.00 0.00 179.45 177.06 1xsk n ASP 454 N -4.59 0.11 0.00 4.20 8.00 -0.41 -2.97 116.55 120.89 1xsk n ASP 454 Ca 0.13 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1xsk n ASP 454 Cb 0.18 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1xsk n ASP 454 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xsk n THR 455 N -1.61 0.00 0.40 -3.53 -2.24 -0.25 -4.77 114.28 102.27 1xsk n THR 455 Ca 0.06 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 1xsk n THR 455 Cb 0.33 -0.68 0.37 0.00 -2.10 0.00 0.00 70.33 68.25 1xsk n THR 455 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xsk n VAL 456 N -0.94 1.02 0.00 2.28 0.24 0.09 -4.97 118.33 116.04 1xsk n VAL 456 Ca 0.00 0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 1xsk n VAL 456 Cb 0.00 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 1xsk n VAL 456 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xsk n GLY 457 N -0.21 1.92 0.32 7.63 0.00 -1.00 -4.36 105.19 109.49 1xsk n GLY 457 Ca 0.02 -1.64 0.15 0.00 0.00 0.00 0.00 46.02 44.56 1xsk n GLY 457 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xsk h GLU 458 N 0.00 0.36 0.00 1.61 4.81 -1.83 -0.29 114.58 119.24 1xsk h GLU 458 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1xsk h GLU 458 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1xsk h GLU 458 CO 0.00 0.24 -0.24 0.93 -0.73 0.00 0.00 179.01 179.21 1xsk h GLU 459 N 0.37 0.00 -0.02 1.92 3.07 -1.93 -2.63 114.58 115.37 1xsk h GLU 459 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1xsk h GLU 459 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1xsk h GLU 459 CO -0.56 0.24 -0.12 0.39 -1.40 0.00 0.00 179.01 177.56 1xsk n GLU 460 N -3.73 1.56 -2.29 2.33 -0.58 -0.15 -3.83 120.64 113.94 1xsk n GLU 460 Ca -0.01 -1.07 -0.42 0.00 -0.42 0.00 0.00 57.16 55.24 1xsk n GLU 460 Cb 0.34 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 1xsk n GLU 460 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsk s ALA 461 N -2.17 3.53 -0.21 0.62 0.00 -0.99 -4.86 121.76 117.69 1xsk s ALA 461 Ca 0.30 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 1xsk s ALA 461 Cb 0.20 -3.55 0.10 0.00 0.00 0.00 0.00 23.12 19.88 1xsk s ALA 461 CO 0.40 -0.77 0.90 0.54 0.00 0.00 0.00 175.76 176.83 1xsk s VAL 462 N 1.97 0.00 0.42 0.00 0.11 -1.26 -4.57 120.40 117.06 1xsk s VAL 462 Ca 0.62 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.71 1xsk s VAL 462 Cb -0.31 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1xsk s VAL 462 CO 0.27 0.00 0.15 -0.76 -3.33 0.00 0.00 175.10 171.43 1xsk s LEU 463 N -0.35 1.97 -0.40 2.54 1.43 -1.17 -3.84 118.68 118.86 1xsk s LEU 463 Ca -0.01 -1.73 0.01 0.00 -1.03 0.00 0.00 54.13 51.36 1xsk s LEU 463 Cb -0.03 -0.02 0.14 0.00 0.03 0.00 0.00 46.19 46.31 1xsk s LEU 463 CO 0.00 -0.99 0.24 0.12 0.23 0.00 0.00 176.35 175.94 1xsk s PHE 464 N -3.19 1.28 -0.12 0.29 5.36 -0.61 -4.47 117.98 116.52 1xsk s PHE 464 Ca 0.23 -2.02 -0.15 0.00 -0.96 0.00 0.00 56.93 54.03 1xsk s PHE 464 Cb 0.01 -1.32 -0.05 0.00 -0.34 0.00 0.00 43.02 41.33 1xsk s PHE 464 CO 0.16 -0.81 0.37 0.00 -1.46 0.00 0.00 175.22 173.48 1xsk s ALA 465 N 0.66 3.57 -0.11 11.12 0.00 -0.70 -1.52 121.76 134.77 1xsk s ALA 465 Ca 0.19 -0.33 0.17 0.00 0.00 0.00 0.00 51.96 51.99 1xsk s ALA 465 Cb -0.21 -2.48 -0.16 0.00 0.00 0.00 0.00 23.12 20.27 1xsk s ALA 465 CO -0.01 0.12 0.73 -2.13 0.00 0.00 0.00 175.76 174.46 1xsk n ARG 466 N 3.37 0.63 -4.31 0.00 0.63 -1.05 -1.46 116.66 114.46 1xsk n ARG 466 Ca -0.10 0.20 -0.17 0.00 -0.92 0.00 0.00 57.85 56.85 1xsk n ARG 466 Cb 0.52 -1.77 -0.10 0.00 0.45 0.00 0.00 32.46 31.56 1xsk n ARG 466 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1xsk s SER 467 N -5.74 2.31 0.32 6.15 1.04 -1.26 -4.52 113.70 112.00 1xsk s SER 467 Ca -0.04 -1.01 -0.19 0.00 0.48 0.00 0.00 55.95 55.19 1xsk s SER 467 Cb 0.09 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.16 1xsk s SER 467 CO 0.82 -0.22 0.80 0.00 0.98 0.00 0.00 173.24 175.62 1xsk s ALA 468 N -3.06 -1.05 0.17 5.32 0.00 -1.23 -4.87 121.76 117.05 1xsk s ALA 468 Ca 0.20 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 1xsk s ALA 468 Cb 0.00 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1xsk s ALA 468 CO 0.05 -1.02 0.47 0.45 0.00 0.00 0.00 175.76 175.71 1xsk s SER 469 N -3.04 -0.23 -0.17 0.00 0.15 -1.26 -3.82 113.70 105.33 1xsk s SER 469 Ca 0.14 -0.46 -0.36 0.00 0.70 0.00 0.00 55.95 55.97 1xsk s SER 469 Cb -0.05 0.54 -0.17 0.00 -1.71 0.00 0.00 66.02 64.63 1xsk s SER 469 CO 0.09 -0.98 1.09 0.52 1.20 0.00 0.00 173.24 175.16 1xsk n VAL 470 N -0.30 0.00 -0.24 4.45 0.31 -1.26 -0.62 118.33 120.67 1xsk n VAL 470 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1xsk n VAL 470 Cb 0.63 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1xsk n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xsk n GLY 471 N 2.13 0.94 0.06 2.92 0.00 -1.26 -4.63 105.19 105.35 1xsk n GLY 471 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1xsk n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsk n ALA 472 N -0.92 2.63 0.44 4.61 0.00 0.21 -3.15 120.51 124.34 1xsk n ALA 472 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1xsk n ALA 472 Cb 0.00 -1.43 0.47 0.00 0.00 0.00 0.00 19.45 18.49 1xsk n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsk n GLN 473 N -1.03 0.19 0.05 0.00 0.00 -1.26 -2.32 117.38 113.01 1xsk n GLN 473 Ca 0.17 0.38 0.09 0.00 0.00 0.00 0.00 57.00 57.64 1xsk n GLN 473 Cb 0.22 -1.83 0.39 0.00 0.00 0.00 0.00 30.24 29.02 1xsk n GLN 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xsk n LYS 474 N -2.18 0.08 -3.30 2.61 5.02 -1.19 -3.45 118.16 115.74 1xsk n LYS 474 Ca 0.03 0.31 -0.28 0.00 -2.02 0.00 0.00 58.31 56.35 1xsk n LYS 474 Cb 0.25 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 1xsk n LYS 474 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xsk n PHE 475 N -1.79 3.70 -1.08 2.13 3.72 -0.98 -3.96 117.46 119.19 1xsk n PHE 475 Ca 0.03 -4.07 -0.36 0.00 -0.05 0.00 0.00 57.45 53.01 1xsk n PHE 475 Cb 0.20 -0.57 -0.01 0.00 -0.94 0.00 0.00 39.48 38.16 1xsk n PHE 475 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1xsk n PRO 476 N 0.62 0.00 -1.74 -1.08 -0.04 -1.22 -4.72 135.00 126.83 1xsk n PRO 476 Ca 0.30 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1xsk n PRO 476 Cb 0.40 -0.81 -0.01 0.00 -0.04 0.00 0.00 33.50 33.04 1xsk n PRO 476 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1xsk n VAL 477 N -0.59 -4.98 -4.43 0.52 3.14 -1.26 -3.06 118.33 107.68 1xsk n VAL 477 Ca 0.11 0.57 -0.32 0.00 -2.96 0.00 0.00 64.34 61.74 1xsk n VAL 477 Cb 0.29 -4.23 -0.10 0.00 -1.06 0.00 0.00 33.84 28.74 1xsk n VAL 477 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1xsk s HIS 478 N -0.17 2.90 0.04 1.45 3.76 -1.21 -1.73 115.29 120.34 1xsk s HIS 478 Ca -0.05 -0.03 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 1xsk s HIS 478 Cb 0.00 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 1xsk s HIS 478 CO 0.17 0.38 -0.19 1.67 -0.85 0.00 0.00 174.74 175.92 1xsk s TRP 479 N -1.01 2.52 -1.29 1.40 -2.14 -0.54 -1.39 118.94 116.49 1xsk s TRP 479 Ca 0.17 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 58.65 1xsk s TRP 479 Cb -0.11 -1.45 0.00 0.00 -3.10 0.00 0.00 33.47 28.81 1xsk s TRP 479 CO 0.08 0.23 0.43 0.41 -2.66 0.00 0.00 176.95 175.44 1xsk n GLY 480 N 1.60 -0.05 5.73 3.67 0.00 -0.66 -4.66 105.19 110.82 1xsk n GLY 480 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xsk n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 481 N -0.93 -1.72 3.53 -0.02 0.00 -1.26 -4.76 105.19 100.03 1xsk n GLY 481 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1xsk n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsk s ASP 482 N -4.00 6.43 0.29 1.61 1.01 -1.26 -4.70 116.67 116.04 1xsk s ASP 482 Ca 0.00 -1.32 0.06 0.00 0.71 0.00 0.00 52.55 52.00 1xsk s ASP 482 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1xsk s ASP 482 CO 0.00 -1.49 0.42 0.00 0.21 0.00 0.00 175.17 174.31 1xsk s TYR 484 N -2.08 3.36 -1.31 0.00 2.02 -1.26 -0.48 117.35 117.59 1xsk s TYR 484 Ca 0.40 0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 57.33 1xsk s TYR 484 Cb -0.09 -2.14 0.14 0.00 -0.40 0.00 0.00 41.96 39.47 1xsk s TYR 484 CO 0.30 -0.16 2.09 0.00 -1.57 0.00 0.00 175.55 176.21 1xsk n ALA 485 N -1.97 5.94 -2.95 3.71 0.00 -0.81 -4.49 120.51 119.94 1xsk n ALA 485 Ca -0.01 -4.21 -0.09 0.00 0.00 0.00 0.00 53.44 49.12 1xsk n ALA 485 Cb 0.57 -2.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 1xsk n ALA 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsk s ASN 486 N 0.74 -0.06 0.18 0.00 2.20 -1.26 -4.55 114.94 112.19 1xsk s ASN 486 Ca 0.45 -0.79 -0.12 0.00 -0.94 0.00 0.00 52.86 51.46 1xsk s ASN 486 Cb 0.13 0.50 0.09 0.00 -2.00 0.00 0.00 41.25 39.97 1xsk s ASN 486 CO -0.03 -0.98 1.76 1.88 -2.94 0.00 0.00 177.10 176.79 1xsk h TYR 487 N 2.40 0.91 -0.79 1.54 0.05 -1.92 -1.98 116.97 117.18 1xsk h TYR 487 Ca -0.30 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 58.49 1xsk h TYR 487 Cb 1.24 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 38.64 1xsk h TYR 487 CO 0.39 0.69 0.48 0.93 -1.05 0.00 0.00 178.16 179.59 1xsk h GLU 488 N 0.86 0.84 -0.34 4.88 3.07 -1.95 -0.38 114.58 121.56 1xsk h GLU 488 Ca 0.21 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.89 1xsk h GLU 488 Cb 0.13 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1xsk h GLU 488 CO -0.03 0.56 -0.31 1.03 -1.40 0.00 0.00 179.01 178.87 1xsk h SER 489 N 0.87 0.77 -0.75 1.42 0.87 -1.78 -1.21 113.55 113.74 1xsk h SER 489 Ca 0.35 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1xsk h SER 489 Cb 0.17 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1xsk h SER 489 CO -0.17 1.02 0.49 -0.03 -0.53 0.00 0.00 176.83 177.60 1xsk h MET 490 N 0.63 0.99 -0.12 2.24 -1.53 -0.58 -1.01 114.93 115.55 1xsk h MET 490 Ca 0.07 -0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1xsk h MET 490 Cb 0.83 -0.22 -0.00 0.00 -0.55 0.00 0.00 31.60 31.66 1xsk h MET 490 CO 0.07 0.67 0.02 0.00 0.14 0.00 0.00 176.91 177.81 1xsk h ALA 491 N 1.27 0.16 -0.20 0.39 0.00 -0.72 -2.50 119.26 117.65 1xsk h ALA 491 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xsk h ALA 491 Cb -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xsk h ALA 491 CO -0.06 -0.19 0.09 1.05 0.00 0.00 0.00 179.25 180.14 1xsk h GLU 492 N -0.03 0.27 -0.55 0.00 4.11 -1.03 -1.18 114.58 116.17 1xsk h GLU 492 Ca 0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.39 1xsk h GLU 492 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1xsk h GLU 492 CO 0.00 0.22 0.16 0.77 0.07 0.00 0.00 179.01 180.23 1xsk h SER 493 N 0.28 0.81 -0.65 3.06 0.02 -0.87 -1.64 113.55 114.56 1xsk h SER 493 Ca 0.07 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1xsk h SER 493 Cb 0.04 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1xsk h SER 493 CO -0.01 0.82 0.37 0.25 -1.14 0.00 0.00 176.83 177.11 1xsk h LEU 494 N 0.77 0.80 -1.08 5.07 5.85 -0.81 0.36 115.31 126.27 1xsk h LEU 494 Ca 0.18 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1xsk h LEU 494 Cb 0.30 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1xsk h LEU 494 CO -0.00 0.65 0.62 0.03 -0.34 0.00 0.00 178.44 179.40 1xsk h ARG 495 N 0.88 1.12 -0.15 1.25 3.08 -1.08 0.23 114.38 119.70 1xsk h ARG 495 Ca 0.23 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1xsk h ARG 495 Cb 0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1xsk h ARG 495 CO -0.04 0.74 0.07 0.78 -1.07 0.00 0.00 179.97 180.45 1xsk h GLY 496 N 1.15 0.24 0.99 0.04 0.00 -0.24 0.62 103.07 105.87 1xsk h GLY 496 Ca 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1xsk h GLY 496 CO -0.13 0.12 0.31 -1.33 0.00 0.00 0.00 176.54 175.50 1xsk h GLY 497 N 0.11 0.73 0.99 4.60 0.00 -0.09 -0.96 103.07 108.45 1xsk h GLY 497 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1xsk h GLY 497 CO -0.01 0.29 0.31 1.41 0.00 0.00 0.00 176.54 178.54 1xsk h LEU 498 N 0.68 0.62 -0.98 3.11 3.38 -0.39 -2.81 115.31 118.92 1xsk h LEU 498 Ca 0.18 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1xsk h LEU 498 Cb -0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1xsk h LEU 498 CO -0.03 0.50 0.64 0.28 0.09 0.00 0.00 178.44 179.92 1xsk h SER 499 N 0.69 1.08 -0.43 -0.43 0.02 -0.38 -1.97 113.55 112.13 1xsk h SER 499 Ca 0.18 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1xsk h SER 499 Cb -0.00 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1xsk h SER 499 CO -0.03 0.75 0.10 -0.29 -1.14 0.00 0.00 176.83 176.21 1xsk h ILE 500 N 1.26 1.22 -0.35 3.27 2.10 -0.94 -1.72 117.51 122.34 1xsk h ILE 500 Ca 0.38 -0.81 -0.13 0.00 1.08 0.00 0.00 64.86 65.38 1xsk h ILE 500 Cb -0.04 0.73 -0.01 0.00 -1.09 0.00 0.00 36.82 36.42 1xsk h ILE 500 CO -0.11 0.30 -0.30 1.23 -1.08 0.00 0.00 178.15 178.19 1xsk h GLY 501 N 0.94 0.82 1.33 8.18 0.00 -1.18 -0.75 103.07 112.40 1xsk h GLY 501 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1xsk h GLY 501 CO 0.00 0.68 0.00 1.04 0.00 0.00 0.00 176.54 178.26 1xsk n LEU 502 N -4.08 0.00 -0.61 3.11 4.77 -0.80 -2.44 117.00 116.96 1xsk n LEU 502 Ca -0.01 0.17 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1xsk n LEU 502 Cb 0.47 -0.17 0.16 0.00 -2.33 0.00 0.00 43.42 41.56 1xsk n LEU 502 CO 0.45 -0.07 0.63 -1.20 -1.33 0.00 0.00 177.39 175.88 1xsk n SER 503 N -1.17 3.05 0.00 -1.43 7.64 -0.37 -4.62 113.62 116.72 1xsk n SER 503 Ca 0.11 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1xsk n SER 503 Cb 0.11 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1xsk n SER 503 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsk n GLY 504 N 0.03 0.64 3.59 0.23 0.00 -1.02 -4.91 105.19 103.75 1xsk n GLY 504 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1xsk n GLY 504 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsk s PHE 505 N -2.17 3.23 -0.46 1.61 0.08 -0.72 -4.74 117.98 114.82 1xsk s PHE 505 Ca 0.00 0.25 0.23 0.00 0.12 0.00 0.00 56.93 57.54 1xsk s PHE 505 Cb 0.00 -2.49 0.36 0.00 -0.57 0.00 0.00 43.02 40.32 1xsk s PHE 505 CO 0.00 -0.21 1.58 0.78 -0.10 0.00 0.00 175.22 177.27 1xsk h GLY 506 N 8.51 0.00 -5.75 4.36 0.00 -1.87 -3.32 103.07 105.00 1xsk h GLY 506 Ca -0.33 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.62 1xsk h GLY 506 CO 0.60 0.00 -0.77 -1.36 0.00 0.00 0.00 176.54 175.02 1xsk s PHE 507 N -3.21 0.68 -0.02 5.60 0.08 -1.26 -2.65 117.98 117.20 1xsk s PHE 507 Ca 0.07 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.92 1xsk s PHE 507 Cb 0.06 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 1xsk s PHE 507 CO 0.67 -0.10 0.09 -0.46 -0.10 0.00 0.00 175.22 175.33 1xsk s TRP 508 N 0.36 -0.01 0.31 0.36 -0.00 -1.26 -3.32 118.94 115.38 1xsk s TRP 508 Ca -0.04 0.03 0.03 0.00 -0.00 0.00 0.00 56.10 56.11 1xsk s TRP 508 Cb -0.09 -0.02 -0.01 0.00 -0.00 0.00 0.00 33.47 33.35 1xsk s TRP 508 CO -0.00 -0.14 0.10 0.45 -0.00 0.00 0.00 176.95 177.36 1xsk n SER 509 N 2.36 1.28 -3.62 5.86 2.88 -0.48 -3.47 113.62 118.43 1xsk n SER 509 Ca -0.17 -2.64 -0.04 0.00 -1.33 0.00 0.00 58.87 54.69 1xsk n SER 509 Cb 0.58 0.75 -0.02 0.00 -0.75 0.00 0.00 64.21 64.77 1xsk n SER 509 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1xsk s HIS 510 N -2.68 -0.19 -0.47 0.66 -3.43 -1.26 -1.65 115.29 106.27 1xsk s HIS 510 Ca 0.15 0.02 -0.26 0.00 -0.80 0.00 0.00 55.06 54.16 1xsk s HIS 510 Cb 0.01 0.57 0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1xsk s HIS 510 CO 0.10 -0.54 0.96 -0.51 -2.00 0.00 0.00 174.74 172.75 1xsk s ASP 511 N -2.67 6.51 0.12 7.38 -0.00 -1.26 -3.86 116.67 122.89 1xsk s ASP 511 Ca 0.10 0.15 -0.31 0.00 -0.00 0.00 0.00 52.55 52.49 1xsk s ASP 511 Cb -0.00 -2.47 -0.09 0.00 -0.00 0.00 0.00 42.92 40.36 1xsk s ASP 511 CO -0.04 -1.09 1.55 -0.63 -0.00 0.00 0.00 175.17 174.96 1xsk s ILE 512 N 3.88 2.93 0.00 0.77 1.01 0.02 -1.43 121.20 128.39 1xsk s ILE 512 Ca 0.39 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1xsk s ILE 512 Cb -0.10 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1xsk s ILE 512 CO 0.27 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1xsk n GLY 513 N 3.77 1.92 0.00 6.18 0.00 -1.26 -4.38 105.19 111.43 1xsk n GLY 513 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xsk n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsk n GLY 514 N -2.00 0.75 0.00 -0.02 0.00 -0.51 -4.39 105.19 99.02 1xsk n GLY 514 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1xsk n GLY 514 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xsk n PHE 515 N 0.94 0.00 -2.49 1.61 -0.00 0.36 -4.50 117.46 113.39 1xsk n PHE 515 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 1xsk n PHE 515 Cb 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.48 39.36 1xsk n PHE 515 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1xsk s GLU 516 N -0.77 4.51 0.00 -4.13 0.41 -0.52 -1.85 118.70 116.34 1xsk s GLU 516 Ca 0.00 1.70 0.00 0.00 -0.41 0.00 0.00 54.97 56.26 1xsk s GLU 516 Cb 0.00 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 1xsk s GLU 516 CO 0.00 -0.11 0.00 0.09 -0.49 0.00 0.00 175.26 174.75 1xsk n ASN 517 N 3.37 0.00 -4.41 -0.19 4.13 -1.26 -1.93 115.26 114.97 1xsk n ASN 517 Ca 0.06 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.95 1xsk n ASN 517 Cb 0.47 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.58 1xsk n ASN 517 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xsk s THR 518 N -2.55 4.21 0.57 3.41 2.01 -1.26 -4.65 115.64 117.38 1xsk s THR 518 Ca 0.00 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.42 1xsk s THR 518 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1xsk s THR 518 CO 0.00 0.23 1.32 0.00 -0.69 0.00 0.00 174.62 175.48 1xsk s ALA 519 N 1.58 2.69 -1.13 7.40 0.00 -1.26 -4.89 121.76 126.14 1xsk s ALA 519 Ca 0.05 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1xsk s ALA 519 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1xsk s ALA 519 CO 0.03 -1.39 0.43 -0.35 0.00 0.00 0.00 175.76 174.49 1xsk n PRO 520 N -1.27 0.77 0.00 0.00 -0.04 -1.26 -4.83 135.00 128.37 1xsk n PRO 520 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1xsk n PRO 520 Cb 0.46 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1xsk n PRO 520 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsk n ALA 521 N 0.04 0.00 -0.04 0.55 0.00 -1.26 -4.54 120.51 115.25 1xsk n ALA 521 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1xsk n ALA 521 Cb 0.17 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.95 1xsk n ALA 521 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xsk h HIS 522 N 0.00 0.61 -0.15 0.00 2.07 -1.99 0.61 115.15 116.30 1xsk h HIS 522 Ca 0.00 -0.02 -0.11 0.00 -2.85 0.00 0.00 60.37 57.39 1xsk h HIS 522 Cb 0.00 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 29.79 1xsk h HIS 522 CO 0.00 0.48 -0.34 0.28 -3.07 0.00 0.00 177.93 175.27 1xsk h VAL 523 N 0.61 1.36 -0.33 6.12 2.07 -1.93 -2.70 116.25 121.45 1xsk h VAL 523 Ca 0.15 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 66.11 1xsk h VAL 523 Cb 0.12 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1xsk h VAL 523 CO -0.02 0.49 0.06 0.22 0.02 0.00 0.00 177.57 178.34 1xsk h TYR 524 N 0.12 0.10 -0.21 1.57 3.20 -1.51 -1.64 116.97 118.60 1xsk h TYR 524 Ca -0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1xsk h TYR 524 Cb 0.95 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1xsk h TYR 524 CO 0.10 0.02 0.12 0.87 -1.64 0.00 0.00 178.16 177.62 1xsk h LYS 525 N 0.18 0.24 -0.77 1.82 1.57 0.16 -1.54 116.57 118.22 1xsk h LYS 525 Ca 0.15 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1xsk h LYS 525 Cb 0.17 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1xsk h LYS 525 CO -0.20 0.16 0.46 0.00 -0.57 0.00 0.00 179.45 179.29 1xsk h ARG 526 N 0.24 0.82 -0.44 3.15 2.47 -1.25 -2.25 114.38 117.12 1xsk h ARG 526 Ca 0.08 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 1xsk h ARG 526 Cb 0.00 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 1xsk h ARG 526 CO -0.04 0.54 0.08 2.35 0.56 0.00 0.00 179.97 183.46 1xsk h TRP 527 N 0.84 0.68 -0.68 3.04 2.91 -0.84 -2.97 115.95 118.93 1xsk h TRP 527 Ca 0.34 -0.06 0.03 0.00 1.13 0.00 0.00 58.89 60.33 1xsk h TRP 527 Cb 0.17 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.58 1xsk h TRP 527 CO -0.05 0.60 0.42 0.00 -1.03 0.00 0.00 178.44 178.38 1xsk h ALA 529 N 1.29 -0.79 -0.43 0.00 0.00 -1.49 0.26 119.26 118.11 1xsk h ALA 529 Ca 0.27 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1xsk h ALA 529 Cb 0.03 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1xsk h ALA 529 CO -0.11 -0.93 -0.08 0.35 0.00 0.00 0.00 179.25 178.48 1xsk h PHE 530 N -0.82 -0.17 0.16 0.00 3.57 -1.42 -0.19 116.94 118.07 1xsk h PHE 530 Ca -0.08 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1xsk h PHE 530 Cb 0.62 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1xsk h PHE 530 CO -0.03 -0.16 -0.37 0.78 -2.23 0.00 0.00 178.31 176.30 1xsk h GLY 531 N 0.03 -0.75 2.00 2.40 0.00 0.81 -1.79 103.07 105.76 1xsk h GLY 531 Ca 0.21 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1xsk h GLY 531 CO -0.42 -0.27 0.00 1.41 0.00 0.00 0.00 176.54 177.26 1xsk h LEU 532 N -0.63 0.00 -4.10 3.11 -0.00 -0.09 -2.73 115.31 110.87 1xsk h LEU 532 Ca 0.02 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.23 1xsk h LEU 532 Cb 0.64 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.02 1xsk h LEU 532 CO -0.19 0.00 0.88 0.18 -0.00 0.00 0.00 178.44 179.30 1xsk n LEU 533 N -2.84 7.63 -4.35 1.67 4.77 -0.12 -4.79 117.00 118.97 1xsk n LEU 533 Ca -0.01 -4.31 -0.18 0.00 -0.03 0.00 0.00 56.01 51.49 1xsk n LEU 533 Cb 0.18 -1.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 1xsk n LEU 533 CO 0.21 1.50 -0.32 -0.44 -1.33 0.00 0.00 177.39 177.01 1xsk s SER 534 N -1.62 1.93 0.42 -1.43 0.01 -1.03 -4.95 113.70 107.02 1xsk s SER 534 Ca 0.62 -1.24 0.08 0.00 1.31 0.00 0.00 55.95 56.72 1xsk s SER 534 Cb 0.49 -0.01 0.88 0.00 0.21 0.00 0.00 66.02 67.59 1xsk s SER 534 CO -0.06 -0.52 2.06 0.77 0.41 0.00 0.00 173.24 175.90 1xsk h SER 535 N 2.42 0.43 -3.64 2.44 4.64 -1.87 -3.42 113.55 114.56 1xsk h SER 535 Ca -0.39 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 60.64 1xsk h SER 535 Cb 1.23 -0.11 -0.31 0.00 -0.31 0.00 0.00 62.40 62.90 1xsk h SER 535 CO 0.65 0.33 -0.73 -1.00 -0.87 0.00 0.00 176.83 175.21 1xsk s HIS 536 N -5.43 0.07 -0.03 4.77 3.76 -1.23 -4.73 115.29 112.48 1xsk s HIS 536 Ca -0.08 0.04 0.07 0.00 -0.15 0.00 0.00 55.06 54.94 1xsk s HIS 536 Cb 0.17 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 1xsk s HIS 536 CO 0.73 -0.05 -0.24 -1.12 -0.85 0.00 0.00 174.74 173.21 1xsk s SER 537 N 0.51 2.79 -0.07 1.40 0.01 -1.26 -4.21 113.70 112.88 1xsk s SER 537 Ca -0.04 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 56.65 1xsk s SER 537 Cb -0.07 -0.43 0.03 0.00 0.21 0.00 0.00 66.02 65.76 1xsk s SER 537 CO -0.01 0.27 0.31 -0.60 0.41 0.00 0.00 173.24 173.62 1xsk s ARG 538 N -0.44 0.51 -0.64 12.44 3.52 -1.25 -1.55 118.95 131.54 1xsk s ARG 538 Ca 0.06 0.14 -0.08 0.00 -0.13 0.00 0.00 55.73 55.72 1xsk s ARG 538 Cb -0.10 0.23 0.16 0.00 -1.56 0.00 0.00 34.95 33.69 1xsk s ARG 538 CO 0.00 -0.11 0.50 -0.51 -0.81 0.00 0.00 175.30 174.38 1xsk s LEU 539 N -0.53 5.82 -0.05 -0.88 1.43 -0.02 -0.80 118.68 123.65 1xsk s LEU 539 Ca -0.06 -2.52 0.04 0.00 -1.03 0.00 0.00 54.13 50.56 1xsk s LEU 539 Cb -0.04 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1xsk s LEU 539 CO 0.02 -0.53 -0.17 -2.28 0.23 0.00 0.00 176.35 173.62 1xsk s HIS 540 N 0.45 1.73 0.37 0.29 2.46 -1.26 -1.74 115.29 117.58 1xsk s HIS 540 Ca 0.14 -0.54 0.03 0.00 0.47 0.00 0.00 55.06 55.16 1xsk s HIS 540 Cb -0.19 -1.18 -0.04 0.00 -0.13 0.00 0.00 32.58 31.04 1xsk s HIS 540 CO -0.04 -0.20 0.09 0.20 -2.47 0.00 0.00 174.74 172.32 1xsk s GLY 541 N 0.16 2.36 -0.03 1.59 0.00 -1.26 -4.43 107.32 105.71 1xsk s GLY 541 Ca -0.07 -1.57 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 1xsk s GLY 541 CO 0.03 -1.82 -0.07 -1.26 0.00 0.00 0.00 173.10 169.98 1xsk n SER 542 N -1.01 0.41 -0.65 1.64 2.88 -0.77 -0.82 113.62 115.31 1xsk n SER 542 Ca -0.05 0.07 0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1xsk n SER 542 Cb 0.66 -0.49 0.05 0.00 -0.75 0.00 0.00 64.21 63.68 1xsk n SER 542 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xsk n LYS 543 N -2.91 1.64 -4.29 -1.46 5.02 -1.26 -1.01 118.16 113.88 1xsk n LYS 543 Ca -0.03 -1.38 -0.16 0.00 -2.02 0.00 0.00 58.31 54.73 1xsk n LYS 543 Cb 0.10 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1xsk n LYS 543 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xsk s SER 544 N -1.80 1.00 0.32 4.39 1.04 -1.26 -4.72 113.70 112.66 1xsk s SER 544 Ca 0.20 -1.44 -0.10 0.00 0.48 0.00 0.00 55.95 55.09 1xsk s SER 544 Cb 0.16 0.29 -0.07 0.00 0.10 0.00 0.00 66.02 66.49 1xsk s SER 544 CO 0.32 -0.81 0.67 -0.31 0.98 0.00 0.00 173.24 174.09 1xsk s TYR 545 N -3.82 3.43 -0.95 5.02 2.02 -1.26 -4.42 117.35 117.36 1xsk s TYR 545 Ca 0.38 0.98 0.17 0.00 -0.37 0.00 0.00 57.07 58.22 1xsk s TYR 545 Cb 0.07 -2.36 0.65 0.00 -0.40 0.00 0.00 41.96 39.92 1xsk s TYR 545 CO 0.14 0.09 1.56 0.54 -1.57 0.00 0.00 175.55 176.32 1xsk n ARG 546 N -0.69 3.57 -2.30 -0.62 5.12 -1.26 -4.91 116.66 115.58 1xsk n ARG 546 Ca 0.02 -2.79 -0.41 0.00 -1.93 0.00 0.00 57.85 52.73 1xsk n ARG 546 Cb 0.53 -1.82 -0.03 0.00 -1.16 0.00 0.00 32.46 29.98 1xsk n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1xsk s VAL 547 N -1.90 3.40 0.20 1.55 -7.23 -1.26 -4.92 120.40 110.24 1xsk s VAL 547 Ca 0.47 1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 61.63 1xsk s VAL 547 Cb 0.31 -3.74 0.20 0.00 0.56 0.00 0.00 36.38 33.71 1xsk s VAL 547 CO 0.21 0.18 1.60 -0.65 -0.31 0.00 0.00 175.10 176.13 1xsk h PRO 548 N 5.33 -0.08 0.00 4.82 0.11 -1.93 0.16 132.00 140.42 1xsk h PRO 548 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xsk h PRO 548 Cb 1.21 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xsk h PRO 548 CO 0.76 -0.05 0.00 -2.67 -0.21 0.00 0.00 178.00 175.83 1xsk n TRP 549 N -5.45 0.00 0.85 0.65 2.14 -1.26 -0.76 117.44 113.61 1xsk n TRP 549 Ca 0.07 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.77 1xsk n TRP 549 Cb 0.35 0.00 0.43 0.00 -0.81 0.00 0.00 31.31 31.29 1xsk n TRP 549 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xsk n ALA 550 N -0.89 2.64 -0.47 -1.67 0.00 0.56 -4.45 120.51 116.24 1xsk n ALA 550 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xsk n ALA 550 Cb 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1xsk n ALA 550 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xsk n TYR 551 N -1.77 0.00 -3.83 0.00 4.02 0.06 -5.06 117.16 110.57 1xsk n TYR 551 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.86 1xsk n TYR 551 Cb 0.37 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.70 1xsk n TYR 551 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1xsk s ASP 552 N -2.35 -0.01 0.13 7.72 1.47 -1.17 -5.03 116.67 117.43 1xsk s ASP 552 Ca 0.00 -1.04 -0.14 0.00 1.18 0.00 0.00 52.55 52.55 1xsk s ASP 552 Cb 0.00 0.81 -0.02 0.00 -0.34 0.00 0.00 42.92 43.38 1xsk s ASP 552 CO 0.00 -1.59 1.55 0.44 0.68 0.00 0.00 175.17 176.25 1xsk h ASP 553 N 2.01 0.78 -0.75 2.11 3.32 -1.92 -2.68 116.42 119.29 1xsk h ASP 553 Ca -0.29 -0.34 0.12 0.00 0.02 0.00 0.00 57.03 56.54 1xsk h ASP 553 Cb 1.25 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 1xsk h ASP 553 CO 0.37 0.94 0.49 -0.08 -1.72 0.00 0.00 179.24 179.24 1xsk h GLU 554 N 0.60 0.51 -0.73 3.56 4.81 -1.96 0.92 114.58 122.30 1xsk h GLU 554 Ca 0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1xsk h GLU 554 Cb 0.58 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1xsk h GLU 554 CO 0.03 0.34 0.32 0.77 -0.73 0.00 0.00 179.01 179.74 1xsk h SER 555 N 0.53 0.96 0.06 1.04 0.02 -1.78 0.18 113.55 114.55 1xsk h SER 555 Ca 0.36 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 1xsk h SER 555 Cb 0.66 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1xsk h SER 555 CO -0.12 0.83 -0.28 0.00 -1.14 0.00 0.00 176.83 176.12 1xsk h ASP 557 N 0.31 -0.07 -0.58 0.00 3.32 -0.32 -1.23 116.42 117.85 1xsk h ASP 557 Ca 0.05 -0.33 0.09 0.00 0.02 0.00 0.00 57.03 56.85 1xsk h ASP 557 Cb 0.66 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 1xsk h ASP 557 CO 0.05 0.30 0.21 0.58 -1.72 0.00 0.00 179.24 178.66 1xsk h VAL 558 N -0.44 0.78 -0.46 -1.35 2.07 -0.44 0.14 116.25 116.55 1xsk h VAL 558 Ca -0.01 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1xsk h VAL 558 Cb 0.39 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1xsk h VAL 558 CO 0.01 0.07 0.12 0.58 0.02 0.00 0.00 177.57 178.38 1xsk h VAL 559 N 0.39 1.23 -0.10 2.57 2.07 -1.08 -2.23 116.25 119.09 1xsk h VAL 559 Ca 0.29 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1xsk h VAL 559 Cb 0.35 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1xsk h VAL 559 CO -0.30 0.28 0.03 -0.09 0.02 0.00 0.00 177.57 177.52 1xsk h ARG 560 N 0.61 0.16 0.00 1.57 2.43 -0.61 -1.62 114.38 116.92 1xsk h ARG 560 Ca 0.15 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1xsk h ARG 560 Cb 0.30 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1xsk h ARG 560 CO -0.00 0.32 -0.24 0.35 -1.51 0.00 0.00 179.97 178.89 1xsk h PHE 561 N -0.03 -0.63 0.00 2.20 3.04 -0.65 -1.48 116.94 119.39 1xsk h PHE 561 Ca 0.03 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1xsk h PHE 561 Cb 0.23 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1xsk h PHE 561 CO 0.00 -0.33 -0.18 0.74 -2.02 0.00 0.00 178.31 176.53 1xsk h PHE 562 N -0.37 0.00 -0.12 0.41 0.04 -1.43 -2.23 116.94 113.24 1xsk h PHE 562 Ca 0.06 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.69 1xsk h PHE 562 Cb 0.45 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.61 1xsk h PHE 562 CO -0.27 0.18 -0.46 1.15 -0.60 0.00 0.00 178.31 178.30 1xsk h THR 563 N 0.00 1.36 -0.47 -1.55 2.02 -1.01 -1.51 112.91 111.74 1xsk h THR 563 Ca -0.00 -1.77 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 1xsk h THR 563 Cb 0.87 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 1xsk h THR 563 CO 0.02 0.53 0.28 1.56 0.37 0.00 0.00 175.52 178.28 1xsk h GLN 564 N 0.13 0.65 -0.36 6.66 4.20 -1.22 -1.74 115.11 123.43 1xsk h GLN 564 Ca -0.02 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.66 1xsk h GLN 564 Cb 1.09 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1xsk h GLN 564 CO 0.10 0.49 0.12 1.25 -0.67 0.00 0.00 178.83 180.12 1xsk h LEU 565 N 0.63 0.12 -0.60 1.46 5.85 -1.34 -0.85 115.31 120.58 1xsk h LEU 565 Ca 0.17 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1xsk h LEU 565 Cb 0.02 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xsk h LEU 565 CO -0.03 0.10 0.39 0.50 -0.34 0.00 0.00 178.44 179.07 1xsk h LYS 566 N 0.26 0.77 -0.41 1.25 3.64 -0.94 -0.11 116.57 121.03 1xsk h LYS 566 Ca 0.16 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1xsk h LYS 566 Cb 0.14 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1xsk h LYS 566 CO -0.17 0.51 0.06 0.00 -2.27 0.00 0.00 179.45 177.58 1xsk h ARG 568 N 0.60 0.17 0.00 0.00 3.08 -0.24 -2.95 114.38 115.04 1xsk h ARG 568 Ca 0.13 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1xsk h ARG 568 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1xsk h ARG 568 CO 0.00 0.56 0.00 -1.33 -1.07 0.00 0.00 179.97 178.13 1xsk n MET 569 N -4.03 0.02 -0.25 0.04 2.81 -0.14 -0.34 117.12 115.23 1xsk n MET 569 Ca -0.02 0.03 0.26 0.00 -1.81 0.00 0.00 57.70 56.17 1xsk n MET 569 Cb 0.47 -1.53 0.64 0.00 -0.71 0.00 0.00 33.22 32.09 1xsk n MET 569 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xsk h MET 570 N 0.00 0.17 -0.10 0.03 2.86 -1.26 0.22 114.93 116.84 1xsk h MET 570 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1xsk h MET 570 Cb 0.51 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1xsk h MET 570 CO 0.00 0.11 -0.04 -1.35 1.06 0.00 0.00 176.91 176.69 1xsk h PRO 571 N 0.17 0.14 0.00 -0.22 0.11 -1.76 -1.97 132.00 128.47 1xsk h PRO 571 Ca 0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.56 1xsk h PRO 571 Cb 1.64 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.72 1xsk h PRO 571 CO -0.10 0.20 -0.25 -0.92 -0.21 0.00 0.00 178.00 176.72 1xsk h TYR 572 N 0.14 0.00 -0.33 0.65 3.20 -0.68 -3.34 116.97 116.61 1xsk h TYR 572 Ca 0.03 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1xsk h TYR 572 Cb 0.17 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.36 1xsk h TYR 572 CO 0.00 0.31 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.40 1xsk h LEU 573 N -1.00 -1.18 -2.69 2.82 -0.00 -0.95 -1.08 115.31 111.23 1xsk h LEU 573 Ca -0.03 0.19 0.01 0.00 -0.00 0.00 0.00 57.88 58.04 1xsk h LEU 573 Cb 0.42 0.53 -0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1xsk h LEU 573 CO -0.02 -0.35 0.07 0.22 -0.00 0.00 0.00 178.44 178.36 1xsk h TYR 574 N -0.32 0.00 0.11 1.13 3.20 -1.56 0.19 116.97 119.71 1xsk h TYR 574 Ca 0.14 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.72 1xsk h TYR 574 Cb 0.56 0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.86 1xsk h TYR 574 CO -0.53 0.00 -1.21 -0.09 -1.64 0.00 0.00 178.16 174.69 1xsk h ARG 575 N 0.00 0.62 -0.16 1.82 9.65 -1.34 -2.74 114.38 122.23 1xsk h ARG 575 Ca 0.01 -0.82 -0.07 0.00 -1.10 0.00 0.00 59.98 58.00 1xsk h ARG 575 Cb 0.16 0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1xsk h ARG 575 CO -0.00 1.37 -0.23 0.93 2.80 0.00 0.00 179.97 184.84 1xsk h GLU 576 N 0.26 0.28 -0.04 0.20 4.39 -0.64 -1.57 114.58 117.46 1xsk h GLU 576 Ca -0.18 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.37 1xsk h GLU 576 Cb 1.88 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.50 1xsk h GLU 576 CO 0.23 0.51 -0.26 0.00 -1.16 0.00 0.00 179.01 178.32 1xsk h ALA 577 N 1.51 1.49 -0.04 3.43 0.00 -1.00 -1.49 119.26 123.15 1xsk h ALA 577 Ca 0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1xsk h ALA 577 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xsk h ALA 577 CO 0.04 0.38 -0.40 0.00 0.00 0.00 0.00 179.25 179.27 1xsk h ALA 578 N 1.67 1.27 -0.27 0.00 0.00 -0.97 -2.74 119.26 118.20 1xsk h ALA 578 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1xsk h ALA 578 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xsk h ALA 578 CO 0.04 0.53 -0.30 0.00 0.00 0.00 0.00 179.25 179.52 1xsk h ARG 579 N 0.07 0.56 -0.42 0.00 3.08 -1.09 -2.11 114.38 114.47 1xsk h ARG 579 Ca 0.01 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1xsk h ARG 579 Cb 0.74 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1xsk h ARG 579 CO 0.05 0.80 0.28 0.00 -1.07 0.00 0.00 179.97 180.04 1xsk h ALA 580 N 1.19 0.54 0.00 0.04 0.00 -1.30 0.35 119.26 120.08 1xsk h ALA 580 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xsk h ALA 580 Cb 0.76 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xsk h ALA 580 CO 0.06 -0.01 -0.17 -0.97 0.00 0.00 0.00 179.25 178.17 1xsk h ASN 581 N 0.57 0.00 0.01 0.00 -0.73 -1.40 0.85 115.58 114.88 1xsk h ASN 581 Ca 0.16 0.00 -0.37 0.00 1.87 0.00 0.00 56.30 57.95 1xsk h ASN 581 Cb -0.07 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.45 1xsk h ASN 581 CO -0.03 0.17 -2.39 0.00 -0.37 0.00 0.00 177.43 174.80 1xsk n ALA 582 N -2.22 1.49 -0.49 1.57 0.00 -0.81 -4.65 120.51 115.41 1xsk n ALA 582 Ca -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1xsk n ALA 582 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1xsk n ALA 582 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xsk n ARG 583 N -2.81 -0.49 -1.16 0.00 1.74 0.12 -5.00 116.66 109.05 1xsk n ARG 583 Ca -0.34 -0.27 -0.06 0.00 -0.77 0.00 0.00 57.85 56.41 1xsk n ARG 583 Cb 1.14 -0.76 -0.02 0.00 -1.02 0.00 0.00 32.46 31.80 1xsk n ARG 583 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsk n GLY 584 N -0.00 0.81 3.64 -0.13 0.00 0.29 -3.01 105.19 106.79 1xsk n GLY 584 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1xsk n GLY 584 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xsk s THR 585 N -2.16 4.58 0.60 2.61 2.01 -1.24 -4.80 115.64 117.24 1xsk s THR 585 Ca 0.00 1.78 -0.18 0.00 0.31 0.00 0.00 61.69 63.61 1xsk s THR 585 Cb 0.00 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1xsk s THR 585 CO 0.00 -0.37 1.14 -2.16 -0.69 0.00 0.00 174.62 172.53 1xsk s PRO 586 N 3.47 3.06 0.19 4.92 0.04 -1.26 -3.14 135.00 142.27 1xsk s PRO 586 Ca 0.44 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 1xsk s PRO 586 Cb -0.13 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.55 1xsk s PRO 586 CO 0.12 -1.08 1.63 0.52 0.04 0.00 0.00 177.00 178.23 1xsk h MET 587 N 0.68 0.95 -4.31 4.56 2.86 -1.82 -3.36 114.93 114.49 1xsk h MET 587 Ca -0.49 -0.34 -0.74 0.00 -2.06 0.00 0.00 59.70 56.06 1xsk h MET 587 Cb 1.26 -0.06 -0.23 0.00 0.06 0.00 0.00 31.60 32.63 1xsk h MET 587 CO 0.55 1.01 0.12 1.41 1.06 0.00 0.00 176.91 181.06 1xsk s MET 588 N -4.81 3.28 -0.06 1.72 -2.45 -1.26 -1.10 119.30 114.62 1xsk s MET 588 Ca -0.11 -1.84 -0.16 0.00 -1.25 0.00 0.00 55.69 52.34 1xsk s MET 588 Cb 0.13 -4.41 -0.05 0.00 1.25 0.00 0.00 34.83 31.75 1xsk s MET 588 CO 0.85 -1.44 0.42 1.03 1.05 0.00 0.00 175.02 176.93 1xsk s ARG 589 N 1.62 4.10 0.58 4.11 3.00 0.26 -4.78 118.95 127.84 1xsk s ARG 589 Ca 0.14 0.39 -0.19 0.00 0.00 0.00 0.00 55.73 56.08 1xsk s ARG 589 Cb -0.19 -3.32 -0.04 0.00 0.00 0.00 0.00 34.95 31.41 1xsk s ARG 589 CO -0.01 0.46 1.16 0.00 0.00 0.00 0.00 175.30 176.91 1xsk s ALA 590 N -0.34 2.59 0.26 2.13 0.00 -1.26 -1.51 121.76 123.63 1xsk s ALA 590 Ca 0.24 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 1xsk s ALA 590 Cb -0.16 -3.40 0.36 0.00 0.00 0.00 0.00 23.12 19.92 1xsk s ALA 590 CO 0.11 -1.03 1.90 0.52 0.00 0.00 0.00 175.76 177.26 1xsk h MET 591 N 0.90 1.19 -0.01 0.00 0.00 -1.81 -0.44 114.93 114.77 1xsk h MET 591 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 59.70 59.13 1xsk h MET 591 Cb 1.28 -0.27 -0.00 0.00 0.00 0.00 0.00 31.60 32.61 1xsk h MET 591 CO 0.56 0.79 0.01 0.00 0.00 0.00 0.00 176.91 178.26 1xsk h MET 592 N 1.23 0.00 0.08 1.72 -0.00 -1.82 0.19 114.93 116.33 1xsk h MET 592 Ca 0.41 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.83 1xsk h MET 592 Cb 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.69 1xsk h MET 592 CO -0.15 0.00 -1.17 1.98 -0.00 0.00 0.00 176.91 177.58 1xsk h MET 593 N 0.00 0.58 0.10 -0.10 1.85 -1.43 -2.80 114.93 113.13 1xsk h MET 593 Ca 0.00 -0.73 -0.23 0.00 -0.61 0.00 0.00 59.70 58.13 1xsk h MET 593 Cb 0.02 0.23 0.02 0.00 0.43 0.00 0.00 31.60 32.30 1xsk h MET 593 CO -0.00 1.32 -0.97 1.49 -0.40 0.00 0.00 176.91 178.35 1xsk h GLU 594 N 0.28 0.48 -2.32 0.39 4.57 -1.03 -3.39 114.58 113.55 1xsk h GLU 594 Ca -0.16 -0.65 -0.60 0.00 -1.18 0.00 0.00 59.36 56.77 1xsk h GLU 594 Cb 1.83 0.22 -0.42 0.00 -0.16 0.00 0.00 28.75 30.22 1xsk h GLU 594 CO 0.22 1.27 -0.60 1.19 -1.18 0.00 0.00 179.01 179.91 1xsk n PHE 595 N -4.00 3.46 0.17 0.92 3.01 0.56 -4.95 117.46 116.63 1xsk n PHE 595 Ca -0.13 -4.16 0.16 0.00 1.01 0.00 0.00 57.45 54.33 1xsk n PHE 595 Cb 0.86 -0.56 0.76 0.00 -0.01 0.00 0.00 39.48 40.54 1xsk n PHE 595 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xsk h PRO 596 N 4.36 0.00 -0.54 -1.08 0.13 -1.69 -2.60 132.00 130.57 1xsk h PRO 596 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1xsk h PRO 596 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1xsk h PRO 596 CO 0.81 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.33 1xsk n ASP 597 N -4.09 3.68 -4.37 1.44 8.00 -1.26 -4.83 116.55 115.11 1xsk n ASP 597 Ca 0.02 -2.00 -0.45 0.00 0.71 0.00 0.00 54.79 53.08 1xsk n ASP 597 Cb 0.34 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1xsk n ASP 597 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xsk s ASP 598 N -1.28 6.19 0.26 -2.24 -1.08 -0.98 -4.92 116.67 112.61 1xsk s ASP 598 Ca 0.43 -1.41 0.09 0.00 -0.52 0.00 0.00 52.55 51.14 1xsk s ASP 598 Cb 0.24 -2.27 0.50 0.00 -1.46 0.00 0.00 42.92 39.94 1xsk s ASP 598 CO 0.33 -0.96 1.14 -0.81 0.52 0.00 0.00 175.17 175.38 1xsk n PRO 599 N 5.93 0.07 0.09 4.34 -0.04 -1.26 -0.38 135.00 143.74 1xsk n PRO 599 Ca -0.10 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 1xsk n PRO 599 Cb 0.42 -2.03 0.19 0.00 -0.04 0.00 0.00 33.50 32.04 1xsk n PRO 599 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsk h ALA 600 N 1.07 0.69 -0.01 0.55 0.00 -1.94 -3.35 119.26 116.27 1xsk h ALA 600 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsk h ALA 600 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xsk h ALA 600 CO 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.05 1xsk h ASP 602 N 1.96 -0.75 -0.62 0.00 3.32 -1.72 -3.03 116.42 115.58 1xsk h ASP 602 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xsk h ASP 602 Cb 0.58 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1xsk h ASP 602 CO 0.00 -0.26 0.00 -1.22 -1.72 0.00 0.00 179.24 176.04 1xsk n TYR 603 N -5.38 1.68 -2.40 4.55 4.01 -1.26 -4.86 117.16 113.50 1xsk n TYR 603 Ca 0.01 -0.65 -0.43 0.00 -0.16 0.00 0.00 57.90 56.67 1xsk n TYR 603 Cb 0.29 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 1xsk n TYR 603 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xsk s LEU 604 N -2.15 3.83 0.00 7.72 1.43 -1.14 -4.82 118.68 123.55 1xsk s LEU 604 Ca 0.52 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1xsk s LEU 604 Cb 0.36 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1xsk s LEU 604 CO 0.22 -1.15 0.00 -0.90 0.23 0.00 0.00 176.35 174.75 1xsk n ASP 605 N 7.88 0.12 -1.29 2.29 3.85 -1.26 -4.54 116.55 123.59 1xsk n ASP 605 Ca 0.15 -0.41 0.11 0.00 -0.71 0.00 0.00 54.79 53.93 1xsk n ASP 605 Cb 0.47 0.85 0.31 0.00 -1.35 0.00 0.00 41.12 41.39 1xsk n ASP 605 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xsk n ARG 606 N -0.86 2.67 -3.79 0.11 1.74 -1.26 -4.51 116.66 110.75 1xsk n ARG 606 Ca 0.00 -2.49 -0.10 0.00 -0.77 0.00 0.00 57.85 54.49 1xsk n ARG 606 Cb 0.00 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.83 1xsk n ARG 606 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1xsk s GLN 607 N -1.14 1.15 0.33 5.56 -2.07 -1.26 -4.16 119.66 118.08 1xsk s GLN 607 Ca 0.46 -0.93 -0.15 0.00 -1.82 0.00 0.00 55.36 52.93 1xsk s GLN 607 Cb 0.24 0.44 0.03 0.00 -1.09 0.00 0.00 33.01 32.63 1xsk s GLN 607 CO 0.31 -0.44 0.68 1.52 -1.32 0.00 0.00 175.29 176.03 1xsk s TYR 608 N -3.88 0.22 -0.17 9.60 -0.85 -0.36 -4.59 117.35 117.32 1xsk s TYR 608 Ca 0.09 -0.73 -0.04 0.00 -0.52 0.00 0.00 57.07 55.87 1xsk s TYR 608 Cb 0.02 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 1xsk s TYR 608 CO -0.06 -1.34 -0.02 -1.64 -1.52 0.00 0.00 175.55 170.97 1xsk s MET 609 N -3.06 3.68 -0.59 -3.49 -1.94 -0.57 -0.65 119.30 112.67 1xsk s MET 609 Ca 0.18 -0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 53.51 1xsk s MET 609 Cb -0.04 -2.98 0.15 0.00 2.01 0.00 0.00 34.83 33.97 1xsk s MET 609 CO 0.11 0.18 0.52 -1.17 -0.01 0.00 0.00 175.02 174.66 1xsk s LEU 610 N 0.53 6.15 0.00 -0.03 2.96 0.78 -0.57 118.68 128.50 1xsk s LEU 610 Ca -0.02 -2.08 0.00 0.00 -0.22 0.00 0.00 54.13 51.81 1xsk s LEU 610 Cb -0.14 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.41 1xsk s LEU 610 CO 0.02 -0.73 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 1xsk n GLY 611 N 4.78 -2.46 0.22 7.98 0.00 -0.26 -3.61 105.19 111.85 1xsk n GLY 611 Ca -0.05 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.43 1xsk n GLY 611 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xsk h ASP 612 N 0.00 0.00 -0.01 1.61 3.32 -1.92 -3.37 116.42 116.06 1xsk h ASP 612 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xsk h ASP 612 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xsk h ASP 612 CO 0.00 0.21 -0.21 0.59 -1.72 0.00 0.00 179.24 178.12 1xsk n ASN 613 N -4.20 1.08 -4.11 6.45 3.02 -1.26 -4.98 115.26 111.27 1xsk n ASN 613 Ca -0.02 -1.04 -0.26 0.00 -0.03 0.00 0.00 54.58 53.23 1xsk n ASN 613 Cb 0.28 0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 39.80 1xsk n ASN 613 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xsk s VAL 614 N -1.31 1.36 -0.16 2.41 0.11 -1.24 -1.50 120.40 120.07 1xsk s VAL 614 Ca 0.07 -0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1xsk s VAL 614 Cb 0.07 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1xsk s VAL 614 CO 0.24 0.40 0.10 -0.32 -3.33 0.00 0.00 175.10 172.19 1xsk s MET 615 N 0.21 3.79 -0.05 1.54 1.75 0.29 -0.15 119.30 126.68 1xsk s MET 615 Ca -0.07 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 1xsk s MET 615 Cb -0.13 -3.23 0.00 0.00 2.84 0.00 0.00 34.83 34.31 1xsk s MET 615 CO 0.03 0.47 -0.15 0.54 -0.65 0.00 0.00 175.02 175.26 1xsk s VAL 616 N -0.16 1.25 -0.41 10.11 0.11 0.18 -1.14 120.40 130.34 1xsk s VAL 616 Ca 0.09 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1xsk s VAL 616 Cb -0.12 -1.10 0.12 0.00 -1.53 0.00 0.00 36.38 33.75 1xsk s VAL 616 CO 0.01 0.37 0.17 0.00 -3.33 0.00 0.00 175.10 172.32 1xsk s ALA 617 N 0.24 2.51 0.77 1.54 0.00 -0.61 -1.22 121.76 124.98 1xsk s ALA 617 Ca -0.07 -2.57 -0.15 0.00 0.00 0.00 0.00 51.96 49.17 1xsk s ALA 617 Cb -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1xsk s ALA 617 CO 0.02 -1.88 0.51 -2.30 0.00 0.00 0.00 175.76 172.12 1xsk n PRO 618 N 3.88 0.19 -3.68 0.00 -0.02 -1.26 -3.90 135.00 130.20 1xsk n PRO 618 Ca 0.04 0.11 -0.37 0.00 -2.02 0.00 0.00 63.50 61.26 1xsk n PRO 618 Cb 0.37 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 1xsk n PRO 618 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsk s VAL 619 N -2.01 5.14 -0.41 -1.45 1.01 -1.26 -4.97 120.40 116.45 1xsk s VAL 619 Ca 0.64 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1xsk s VAL 619 Cb -0.32 -3.41 0.57 0.00 0.00 0.00 0.00 36.38 33.22 1xsk s VAL 619 CO 0.60 0.32 1.72 0.49 0.00 0.00 0.00 175.10 178.23 1xsk n PHE 620 N 4.58 2.31 -3.97 5.22 3.72 -1.26 -4.82 117.46 123.24 1xsk n PHE 620 Ca -0.15 -1.93 -0.09 0.00 -0.05 0.00 0.00 57.45 55.23 1xsk n PHE 620 Cb 0.52 -0.80 -0.10 0.00 -0.94 0.00 0.00 39.48 38.15 1xsk n PHE 620 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xsk s THR 621 N -3.55 0.13 0.01 4.37 -4.23 -1.26 -4.94 115.64 106.18 1xsk s THR 621 Ca 0.53 -1.10 -0.25 0.00 -1.18 0.00 0.00 61.69 59.69 1xsk s THR 621 Cb 0.45 -0.71 -0.17 0.00 1.34 0.00 0.00 72.50 73.41 1xsk s THR 621 CO 0.05 -0.60 1.32 -0.08 -0.54 0.00 0.00 174.62 174.76 1xsk h GLU 622 N 4.01 -0.23 -0.71 3.99 4.81 -1.93 -3.13 114.58 121.40 1xsk h GLU 622 Ca -0.32 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1xsk h GLU 622 Cb 1.19 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1xsk h GLU 622 CO 0.48 0.09 0.48 0.00 -0.73 0.00 0.00 179.01 179.34 1xsk h ALA 623 N 0.17 2.30 0.00 2.92 0.00 -1.96 -3.46 119.26 119.23 1xsk h ALA 623 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xsk h ALA 623 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xsk h ALA 623 CO 0.04 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.20 1xsk n GLY 624 N -1.58 0.60 3.77 0.00 0.00 -1.18 -4.69 105.19 102.11 1xsk n GLY 624 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1xsk n GLY 624 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xsk s ASP 625 N -1.97 6.34 -0.22 1.61 1.01 -1.26 -1.82 116.67 120.35 1xsk s ASP 625 Ca 0.00 3.02 -0.15 0.00 0.71 0.00 0.00 52.55 56.13 1xsk s ASP 625 Cb 0.00 -2.65 0.07 0.00 1.01 0.00 0.00 42.92 41.34 1xsk s ASP 625 CO 0.00 -0.90 0.56 0.54 0.21 0.00 0.00 175.17 175.58 1xsk s VAL 626 N -0.64 -0.01 -0.03 -1.27 0.11 -1.05 -4.48 120.40 113.04 1xsk s VAL 626 Ca 0.57 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.70 1xsk s VAL 626 Cb -0.47 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1xsk s VAL 626 CO 0.57 0.01 -0.15 -1.10 -3.33 0.00 0.00 175.10 171.10 1xsk s GLN 627 N 1.11 2.40 0.04 1.54 -0.21 -1.26 -1.68 119.66 121.60 1xsk s GLN 627 Ca -0.06 -0.77 -0.20 0.00 0.02 0.00 0.00 55.36 54.35 1xsk s GLN 627 Cb -0.06 -2.33 0.04 0.00 1.00 0.00 0.00 33.01 31.66 1xsk s GLN 627 CO -0.11 0.60 0.45 -0.59 -2.12 0.00 0.00 175.29 173.53 1xsk s PHE 628 N -0.79 -0.32 0.12 0.91 -0.12 -0.44 -4.97 117.98 112.37 1xsk s PHE 628 Ca 0.13 0.33 0.02 0.00 -0.05 0.00 0.00 56.93 57.35 1xsk s PHE 628 Cb -0.11 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1xsk s PHE 628 CO 0.02 -0.59 0.23 -0.47 -0.05 0.00 0.00 175.22 174.36 1xsk s TYR 629 N -2.39 3.44 -0.05 3.49 5.04 -1.26 0.12 117.35 125.74 1xsk s TYR 629 Ca -0.06 0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.72 1xsk s TYR 629 Cb -0.01 -1.68 0.02 0.00 0.35 0.00 0.00 41.96 40.65 1xsk s TYR 629 CO -0.02 0.54 -0.05 -1.17 -1.34 0.00 0.00 175.55 173.52 1xsk s LEU 630 N -2.93 1.31 1.17 6.97 2.96 -0.48 -4.97 118.68 122.72 1xsk s LEU 630 Ca 0.34 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.92 1xsk s LEU 630 Cb -0.12 -0.49 0.27 0.00 0.50 0.00 0.00 46.19 46.36 1xsk s LEU 630 CO 0.27 -0.06 1.10 -2.84 -1.32 0.00 0.00 176.35 173.51 1xsk s PRO 631 N 0.97 -0.99 0.35 0.98 0.02 -1.26 0.36 135.00 135.43 1xsk s PRO 631 Ca -0.10 0.04 -0.27 0.00 0.02 0.00 0.00 61.00 60.70 1xsk s PRO 631 Cb -0.14 -1.61 -0.13 0.00 0.02 0.00 0.00 34.50 32.64 1xsk s PRO 631 CO -0.00 -3.58 1.05 -1.91 -0.33 0.00 0.00 177.00 172.23 1xsk n GLU 632 N -4.69 1.49 0.00 5.54 2.13 -1.26 -2.35 120.64 121.50 1xsk n GLU 632 Ca 0.12 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1xsk n GLU 632 Cb 0.59 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1xsk n GLU 632 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xsk n GLY 633 N 1.13 2.37 3.49 8.31 0.00 -1.26 -4.83 105.19 114.40 1xsk n GLY 633 Ca 0.09 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1xsk n GLY 633 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xsk s ARG 634 N -1.90 3.38 0.15 1.61 3.52 -1.26 0.99 118.95 125.43 1xsk s ARG 634 Ca 0.00 -0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 54.85 1xsk s ARG 634 Cb 0.00 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.61 1xsk s ARG 634 CO 0.00 -0.46 0.36 -1.58 -0.81 0.00 0.00 175.30 172.81 1xsk s TRP 635 N 1.68 3.48 -0.11 5.12 0.52 0.17 -3.80 118.94 125.99 1xsk s TRP 635 Ca 0.05 0.49 0.01 0.00 0.02 0.00 0.00 56.10 56.67 1xsk s TRP 635 Cb -0.17 -1.95 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 1xsk s TRP 635 CO 0.09 0.44 -0.13 0.99 0.02 0.00 0.00 176.95 178.36 1xsk s THR 636 N -1.69 1.32 0.27 2.01 2.01 -0.81 -0.13 115.64 118.62 1xsk s THR 636 Ca 0.40 -0.52 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1xsk s THR 636 Cb -0.12 -1.24 -0.13 0.00 0.01 0.00 0.00 72.50 71.03 1xsk s THR 636 CO 0.26 0.41 1.49 1.57 -0.69 0.00 0.00 174.62 177.66 1xsk n HIS 637 N 4.40 2.49 -0.33 4.92 -0.00 -0.41 -0.43 115.22 125.86 1xsk n HIS 637 Ca -0.18 0.35 0.10 0.00 0.46 0.00 0.00 57.72 58.45 1xsk n HIS 637 Cb 0.51 -2.52 0.30 0.00 -0.12 0.00 0.00 29.99 28.15 1xsk n HIS 637 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1xsk h LEU 638 N 4.41 0.82 0.00 0.27 5.85 -1.19 -2.44 115.31 123.04 1xsk h LEU 638 Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1xsk h LEU 638 Cb 1.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1xsk h LEU 638 CO 0.77 0.41 -0.71 -2.67 -0.34 0.00 0.00 178.44 175.90 1xsk n TRP 639 N -4.62 0.00 0.23 1.25 2.14 -1.26 -4.63 117.44 110.54 1xsk n TRP 639 Ca 0.19 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.89 1xsk n TRP 639 Cb 0.43 0.00 0.22 0.00 -0.81 0.00 0.00 31.31 31.14 1xsk n TRP 639 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1xsk h HIS 640 N 0.00 0.00 0.00 -2.67 3.86 -1.93 -3.47 115.15 110.94 1xsk h HIS 640 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsk h HIS 640 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xsk h HIS 640 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 1xsk n ASN 641 N -3.09 0.00 -4.76 2.45 5.15 -0.92 -4.95 115.26 109.14 1xsk n ASN 641 Ca 0.04 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.70 1xsk n ASN 641 Cb 0.51 -1.60 0.08 0.00 -0.53 0.00 0.00 39.78 38.24 1xsk n ASN 641 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1xsk s ASP 642 N -2.35 4.53 0.27 1.20 -4.77 -1.26 -4.63 116.67 109.65 1xsk s ASP 642 Ca 0.00 1.95 0.11 0.00 -3.30 0.00 0.00 52.55 51.31 1xsk s ASP 642 Cb 0.00 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 39.24 1xsk s ASP 642 CO 0.00 -2.02 -0.13 -1.61 0.70 0.00 0.00 175.17 172.11 1xsk s GLU 643 N -4.54 1.89 -0.01 2.11 2.02 -1.26 -1.29 118.70 117.63 1xsk s GLU 643 Ca 0.64 -1.63 -0.08 0.00 0.02 0.00 0.00 54.97 53.93 1xsk s GLU 643 Cb -0.20 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.12 1xsk s GLU 643 CO 0.51 0.35 0.16 -0.51 0.02 0.00 0.00 175.26 175.79 1xsk s LEU 644 N -3.51 1.45 0.00 1.80 1.43 0.82 -4.96 118.68 115.70 1xsk s LEU 644 Ca 0.30 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 1xsk s LEU 644 Cb -0.06 0.74 -0.06 0.00 0.03 0.00 0.00 46.19 46.85 1xsk s LEU 644 CO 0.16 -0.35 0.50 -1.81 0.23 0.00 0.00 176.35 175.08 1xsk s ASP 645 N -1.24 6.89 0.98 2.29 1.01 -1.26 0.43 116.67 125.78 1xsk s ASP 645 Ca -0.13 1.06 -0.06 0.00 0.71 0.00 0.00 52.55 54.13 1xsk s ASP 645 Cb -0.07 -2.31 0.08 0.00 1.01 0.00 0.00 42.92 41.63 1xsk s ASP 645 CO 0.02 0.22 0.46 0.61 0.21 0.00 0.00 175.17 176.69 1xsk n GLY 646 N 2.15 -1.20 2.64 0.21 0.00 0.28 -4.57 105.19 104.70 1xsk n GLY 646 Ca -0.10 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 1xsk n GLY 646 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsk n SER 647 N -3.29 -5.22 -3.73 1.61 7.64 0.16 -4.74 113.62 106.05 1xsk n SER 647 Ca 0.06 -0.17 -0.04 0.00 1.01 0.00 0.00 58.87 59.73 1xsk n SER 647 Cb 0.20 -4.14 -0.01 0.00 -1.01 0.00 0.00 64.21 59.26 1xsk n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsk s ARG 648 N -5.29 1.33 0.31 1.43 1.70 -0.98 -4.99 118.95 112.45 1xsk s ARG 648 Ca 0.17 -0.75 -0.04 0.00 -0.47 0.00 0.00 55.73 54.65 1xsk s ARG 648 Cb -0.08 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1xsk s ARG 648 CO 0.21 -0.61 0.56 -1.58 -1.08 0.00 0.00 175.30 172.81 1xsk s TRP 649 N -3.29 3.49 -0.00 5.89 0.52 -1.26 -1.38 118.94 122.90 1xsk s TRP 649 Ca 0.13 0.59 0.02 0.00 0.02 0.00 0.00 56.10 56.85 1xsk s TRP 649 Cb -0.02 -2.07 -0.00 0.00 -1.15 0.00 0.00 33.47 30.22 1xsk s TRP 649 CO 0.04 0.14 -0.05 -1.01 0.02 0.00 0.00 176.95 176.09 1xsk s HIS 650 N -2.16 0.46 -0.17 -1.98 3.76 0.12 -4.97 115.29 110.34 1xsk s HIS 650 Ca 0.43 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.24 1xsk s HIS 650 Cb -0.10 -0.29 -0.00 0.00 1.11 0.00 0.00 32.58 33.29 1xsk s HIS 650 CO 0.32 -0.01 -0.13 0.21 -0.85 0.00 0.00 174.74 174.28 1xsk s LYS 651 N -0.16 3.23 0.00 1.40 2.20 -1.26 -1.32 119.74 123.83 1xsk s LYS 651 Ca 0.02 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1xsk s LYS 651 Cb -0.02 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 1xsk s LYS 651 CO -0.00 -0.06 0.00 1.04 -0.36 0.00 0.00 175.35 175.97 1xsk n GLN 652 N 4.30 0.61 -3.62 4.03 6.02 -0.68 -5.02 117.38 123.02 1xsk n GLN 652 Ca -0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.79 1xsk n GLN 652 Cb 0.51 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.73 1xsk n GLN 652 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1xsk s GLN 653 N -1.90 0.55 0.26 -1.09 0.74 -1.26 -2.53 119.66 114.43 1xsk s GLN 653 Ca 0.00 1.38 0.12 0.00 0.05 0.00 0.00 55.36 56.91 1xsk s GLN 653 Cb 0.00 0.83 -0.05 0.00 1.10 0.00 0.00 33.01 34.89 1xsk s GLN 653 CO 0.00 -0.19 -0.21 -1.01 -0.55 0.00 0.00 175.29 173.33 1xsk s HIS 654 N 2.85 2.29 0.50 1.67 3.76 -0.76 -4.95 115.29 120.65 1xsk s HIS 654 Ca -0.06 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.56 1xsk s HIS 654 Cb -0.11 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.58 1xsk s HIS 654 CO -0.19 0.66 0.70 0.20 -0.85 0.00 0.00 174.74 175.26 1xsk s GLY 655 N -3.29 1.88 0.00 -2.22 0.00 -1.26 -4.23 107.32 98.19 1xsk s GLY 655 Ca 0.28 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1xsk s GLY 655 CO 0.14 -1.23 0.65 0.69 0.00 0.00 0.00 173.10 173.35 1xsk n PHE 656 N -2.15 0.00 -0.24 1.90 3.72 -1.26 -0.70 117.46 118.73 1xsk n PHE 656 Ca 0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.56 1xsk n PHE 656 Cb 0.59 -0.21 0.21 0.00 -0.94 0.00 0.00 39.48 39.13 1xsk n PHE 656 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xsk n LEU 657 N -1.15 3.25 -3.78 4.37 4.32 -1.26 -4.78 117.00 117.98 1xsk n LEU 657 Ca 0.00 -2.01 -0.10 0.00 -0.02 0.00 0.00 56.01 53.89 1xsk n LEU 657 Cb 0.08 -0.31 -0.06 0.00 -1.62 0.00 0.00 43.42 41.50 1xsk n LEU 657 CO 0.00 0.81 -0.01 -0.55 -1.22 0.00 0.00 177.39 176.42 1xsk s SER 658 N -1.00 -0.01 0.17 -1.43 0.15 0.12 -5.02 113.70 106.68 1xsk s SER 658 Ca 0.31 -0.50 -0.23 0.00 0.70 0.00 0.00 55.95 56.23 1xsk s SER 658 Cb 0.16 0.38 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 1xsk s SER 658 CO 0.21 -0.75 0.70 -1.48 1.20 0.00 0.00 173.24 173.12 1xsk s LEU 659 N -2.74 -0.43 -0.19 3.45 2.34 -1.26 -4.34 118.68 115.51 1xsk s LEU 659 Ca 0.03 -0.20 -0.29 0.00 0.06 0.00 0.00 54.13 53.74 1xsk s LEU 659 Cb 0.03 2.52 -0.05 0.00 -0.56 0.00 0.00 46.19 48.13 1xsk s LEU 659 CO -0.10 -1.02 1.93 -2.84 -1.06 0.00 0.00 176.35 173.26 1xsk s PRO 660 N -3.67 3.54 -0.39 1.48 0.02 -1.25 -4.90 135.00 129.83 1xsk s PRO 660 Ca 0.05 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.01 1xsk s PRO 660 Cb -0.02 -4.21 0.14 0.00 0.02 0.00 0.00 34.50 30.42 1xsk s PRO 660 CO -0.06 -1.62 0.22 0.08 -0.33 0.00 0.00 177.00 175.29 1xsk s VAL 661 N 6.48 0.77 -0.01 3.83 1.01 -1.25 -1.58 120.40 129.65 1xsk s VAL 661 Ca 0.87 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1xsk s VAL 661 Cb -0.31 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1xsk s VAL 661 CO 0.34 -0.93 0.04 -0.31 0.00 0.00 0.00 175.10 174.24 1xsk s TYR 662 N 0.76 3.17 -0.12 5.22 2.02 -0.29 -0.58 117.35 127.53 1xsk s TYR 662 Ca 0.17 0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.97 1xsk s TYR 662 Cb -0.24 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1xsk s TYR 662 CO -0.01 0.50 0.05 0.08 -1.57 0.00 0.00 175.55 174.61 1xsk s VAL 663 N -1.11 4.71 0.68 0.71 1.01 0.43 -0.55 120.40 126.28 1xsk s VAL 663 Ca 0.20 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1xsk s VAL 663 Cb -0.12 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1xsk s VAL 663 CO 0.11 0.57 1.16 -0.13 0.00 0.00 0.00 175.10 176.81 1xsk s ARG 664 N -0.56 2.53 0.83 2.72 0.52 -0.57 -1.92 118.95 122.50 1xsk s ARG 664 Ca 0.10 1.60 -0.12 0.00 -0.52 0.00 0.00 55.73 56.79 1xsk s ARG 664 Cb -0.12 -1.90 0.09 0.00 0.52 0.00 0.00 34.95 33.54 1xsk s ARG 664 CO 0.02 -1.50 1.10 0.16 0.02 0.00 0.00 175.30 175.11 1xsk s ASP 665 N -2.23 4.20 -1.61 0.23 3.84 -1.25 -3.68 116.67 116.16 1xsk s ASP 665 Ca 0.71 1.27 -0.04 0.00 -0.00 0.00 0.00 52.55 54.49 1xsk s ASP 665 Cb -0.25 -1.97 0.01 0.00 -1.38 0.00 0.00 42.92 39.33 1xsk s ASP 665 CO 0.42 -2.15 0.47 0.59 -0.00 0.00 0.00 175.17 174.50 1xsk n ASN 666 N -3.54 -6.08 -4.49 2.11 3.02 0.02 -4.98 115.26 101.32 1xsk n ASN 666 Ca 0.07 -0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 54.06 1xsk n ASN 666 Cb 0.57 -4.95 -0.13 0.00 -0.61 0.00 0.00 39.78 34.66 1xsk n ASN 666 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xsk s THR 667 N -3.15 3.29 -0.51 3.41 2.01 -1.10 -4.45 115.64 115.14 1xsk s THR 667 Ca 0.24 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1xsk s THR 667 Cb -0.11 -2.33 0.13 0.00 0.01 0.00 0.00 72.50 70.20 1xsk s THR 667 CO 0.29 0.57 0.25 -0.22 -0.69 0.00 0.00 174.62 174.83 1xsk s LEU 668 N -0.47 4.54 0.02 4.42 2.96 -1.26 -0.30 118.68 128.58 1xsk s LEU 668 Ca 0.06 -2.84 -0.18 0.00 -0.22 0.00 0.00 54.13 50.94 1xsk s LEU 668 Cb -0.12 -1.67 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 1xsk s LEU 668 CO 0.02 -0.28 0.53 -0.22 -1.32 0.00 0.00 176.35 175.08 1xsk s LEU 669 N -0.05 4.47 -0.20 -0.68 2.96 -0.41 -4.35 118.68 120.41 1xsk s LEU 669 Ca 0.16 1.13 -0.05 0.00 -0.22 0.00 0.00 54.13 55.15 1xsk s LEU 669 Cb -0.24 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1xsk s LEU 669 CO -0.02 0.22 0.01 0.00 -1.32 0.00 0.00 176.35 175.24 1xsk s ALA 670 N -0.73 3.06 0.18 5.97 0.00 -1.26 0.07 121.76 129.05 1xsk s ALA 670 Ca 0.28 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1xsk s ALA 670 Cb -0.18 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1xsk s ALA 670 CO 0.17 -0.17 -0.04 -0.51 0.00 0.00 0.00 175.76 175.21 1xsk s LEU 671 N 1.03 3.16 0.37 0.00 1.02 -0.88 -3.38 118.68 120.00 1xsk s LEU 671 Ca 0.02 -0.48 0.07 0.00 0.02 0.00 0.00 54.13 53.76 1xsk s LEU 671 Cb -0.14 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.24 1xsk s LEU 671 CO 0.02 0.09 0.47 -0.83 0.02 0.00 0.00 176.35 176.12 1xsk s GLY 672 N -2.93 1.77 -0.04 -3.19 0.00 0.53 -0.96 107.32 102.51 1xsk s GLY 672 Ca 0.27 -1.58 0.17 0.00 0.00 0.00 0.00 44.72 43.57 1xsk s GLY 672 CO 0.17 -1.46 1.44 1.16 0.00 0.00 0.00 173.10 174.41 1xsk n ASN 673 N -1.66 3.42 -3.99 1.64 0.23 -1.26 -4.79 115.26 108.86 1xsk n ASN 673 Ca 0.02 -2.14 -0.30 0.00 -0.53 0.00 0.00 54.58 51.63 1xsk n ASN 673 Cb 0.59 -0.44 -0.16 0.00 -2.08 0.00 0.00 39.78 37.69 1xsk n ASN 673 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1xsk s ASN 674 N -0.93 3.47 -0.28 0.53 3.84 -1.26 -4.97 114.94 115.35 1xsk s ASN 674 Ca 0.40 -0.94 0.12 0.00 0.21 0.00 0.00 52.86 52.65 1xsk s ASN 674 Cb 0.23 -1.23 0.64 0.00 -0.55 0.00 0.00 41.25 40.34 1xsk s ASN 674 CO 0.24 -0.16 1.64 -0.90 -2.79 0.00 0.00 177.10 175.12 1xsk n ASP 675 N 4.68 4.12 -0.00 -4.21 5.75 -1.26 -3.68 116.55 121.95 1xsk n ASP 675 Ca -0.14 -3.27 0.02 0.00 -0.01 0.00 0.00 54.79 51.38 1xsk n ASP 675 Cb 0.46 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.85 1xsk n ASP 675 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xsk n GLN 676 N -0.45 0.20 -3.69 0.11 1.13 -1.26 -4.32 117.38 109.11 1xsk n GLN 676 Ca 0.34 -0.04 -0.14 0.00 -1.94 0.00 0.00 57.00 55.22 1xsk n GLN 676 Cb 1.18 -1.10 -0.07 0.00 0.11 0.00 0.00 30.24 30.36 1xsk n GLN 676 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1xsk s ARG 677 N -2.27 0.81 0.42 -1.09 1.70 -1.26 -4.77 118.95 112.49 1xsk s ARG 677 Ca -0.01 -0.16 0.23 0.00 -0.47 0.00 0.00 55.73 55.31 1xsk s ARG 677 Cb 0.03 0.37 0.32 0.00 -0.57 0.00 0.00 34.95 35.10 1xsk s ARG 677 CO 0.17 -0.25 1.58 -1.00 -1.08 0.00 0.00 175.30 174.72 1xsk h PRO 678 N 3.45 0.00 -4.48 3.89 0.13 -1.88 -3.43 132.00 129.68 1xsk h PRO 678 Ca -0.30 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.12 1xsk h PRO 678 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 1xsk h PRO 678 CO 0.41 0.00 -0.48 0.16 -0.23 0.00 0.00 178.00 177.86 1xsk s ASP 679 N -6.14 5.64 0.33 1.44 -4.77 -1.26 -4.86 116.67 107.04 1xsk s ASP 679 Ca 0.07 -1.42 -0.18 0.00 -3.30 0.00 0.00 52.55 47.71 1xsk s ASP 679 Cb 0.05 -1.99 0.04 0.00 -1.09 0.00 0.00 42.92 39.93 1xsk s ASP 679 CO 0.68 -0.51 0.74 -0.72 0.70 0.00 0.00 175.17 176.06 1xsk s TYR 680 N 1.44 -0.01 -0.80 2.11 1.13 -1.26 -5.03 117.35 114.93 1xsk s TYR 680 Ca 0.03 -0.54 -0.25 0.00 -1.41 0.00 0.00 57.07 54.89 1xsk s TYR 680 Cb -0.22 0.75 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1xsk s TYR 680 CO 0.03 -1.39 1.86 0.54 -2.51 0.00 0.00 175.55 174.08 1xsk s VAL 681 N -3.16 3.45 0.26 -3.49 0.11 -1.26 -4.80 120.40 111.51 1xsk s VAL 681 Ca 0.14 -0.15 0.28 0.00 -2.93 0.00 0.00 61.98 59.31 1xsk s VAL 681 Cb -0.05 -4.08 0.29 0.00 -1.53 0.00 0.00 36.38 31.00 1xsk s VAL 681 CO 0.09 -1.03 1.97 -0.50 -3.33 0.00 0.00 175.10 172.30 1xsk h TRP 682 N 12.50 0.00 -0.77 1.54 6.55 -1.97 -3.16 115.95 130.64 1xsk h TRP 682 Ca -0.04 0.00 -0.45 0.00 0.95 0.00 0.00 58.89 59.34 1xsk h TRP 682 Cb 1.06 0.00 -0.23 0.00 -0.86 0.00 0.00 29.16 29.13 1xsk h TRP 682 CO 1.15 0.15 0.58 -2.39 -1.05 0.00 0.00 178.44 176.88 1xsk n HIS 683 N -3.43 2.41 -3.35 0.49 1.44 -1.26 -4.37 115.22 107.15 1xsk n HIS 683 Ca -0.01 -2.01 -0.09 0.00 -2.01 0.00 0.00 57.72 53.60 1xsk n HIS 683 Cb 0.32 -0.99 -0.08 0.00 0.12 0.00 0.00 29.99 29.36 1xsk n HIS 683 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xsk s GLU 684 N -2.71 0.35 0.00 -1.40 2.02 -1.20 -2.06 118.70 113.69 1xsk s GLU 684 Ca 0.46 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1xsk s GLU 684 Cb 0.38 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.11 1xsk s GLU 684 CO 0.04 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1xsk n GLY 685 N 5.36 0.80 3.63 -1.39 0.00 -0.78 -4.74 105.19 108.07 1xsk n GLY 685 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1xsk n GLY 685 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsk n THR 686 N -2.12 1.48 -3.86 2.61 -1.04 -1.26 -4.26 114.28 105.83 1xsk n THR 686 Ca 0.00 -0.37 -0.33 0.00 -2.04 0.00 0.00 64.05 61.31 1xsk n THR 686 Cb 0.00 -1.18 -0.12 0.00 -1.82 0.00 0.00 70.33 67.20 1xsk n THR 686 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xsk s ALA 687 N -0.61 3.40 0.49 2.41 0.00 -0.14 -1.28 121.76 126.03 1xsk s ALA 687 Ca 0.64 -3.24 -0.20 0.00 0.00 0.00 0.00 51.96 49.15 1xsk s ALA 687 Cb -0.70 -2.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 1xsk s ALA 687 CO 0.56 -2.04 1.06 -0.06 0.00 0.00 0.00 175.76 175.28 1xsk s PHE 688 N -0.16 2.95 -0.12 0.00 0.08 -0.36 -2.07 117.98 118.30 1xsk s PHE 688 Ca 0.17 1.57 -0.02 0.00 0.12 0.00 0.00 56.93 58.77 1xsk s PHE 688 Cb -0.23 -3.11 0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1xsk s PHE 688 CO -0.02 -0.97 0.03 -1.01 -0.10 0.00 0.00 175.22 173.16 1xsk s HIS 689 N -1.92 0.60 -0.02 0.36 3.76 0.11 -0.80 115.29 117.38 1xsk s HIS 689 Ca 0.68 -0.32 -0.22 0.00 -0.15 0.00 0.00 55.06 55.05 1xsk s HIS 689 Cb -0.18 -0.80 -0.05 0.00 1.11 0.00 0.00 32.58 32.66 1xsk s HIS 689 CO 0.22 -0.42 0.64 -1.17 -0.85 0.00 0.00 174.74 173.16 1xsk s LEU 690 N 2.00 4.39 -0.19 0.89 2.96 -0.70 -1.29 118.68 126.75 1xsk s LEU 690 Ca 0.03 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 1xsk s LEU 690 Cb -0.14 -3.00 0.03 0.00 0.50 0.00 0.00 46.19 43.57 1xsk s LEU 690 CO -0.06 0.03 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.46 1xsk s PHE 691 N 0.11 2.74 -0.43 5.38 0.08 0.59 -2.61 117.98 123.84 1xsk s PHE 691 Ca 0.33 -1.67 -0.08 0.00 0.12 0.00 0.00 56.93 55.64 1xsk s PHE 691 Cb -0.18 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1xsk s PHE 691 CO 0.18 -0.80 0.26 0.09 -0.10 0.00 0.00 175.22 174.86 1xsk n ASN 692 N 4.62 -1.81 -4.61 1.36 3.02 -1.26 -0.80 115.26 115.78 1xsk n ASN 692 Ca -0.19 -0.48 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 1xsk n ASN 692 Cb 0.49 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1xsk n ASN 692 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xsk s LEU 693 N -4.76 3.69 0.60 3.41 0.20 -1.26 -2.24 118.68 118.32 1xsk s LEU 693 Ca 0.11 0.99 -0.10 0.00 0.69 0.00 0.00 54.13 55.83 1xsk s LEU 693 Cb -0.06 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.13 1xsk s LEU 693 CO 0.39 -1.33 0.98 -1.10 -0.29 0.00 0.00 176.35 175.00 1xsk s GLN 694 N 4.72 3.48 0.14 1.98 -0.21 -1.26 -4.98 119.66 123.53 1xsk s GLN 694 Ca 0.61 0.57 -0.31 0.00 0.02 0.00 0.00 55.36 56.25 1xsk s GLN 694 Cb -0.15 -2.14 -0.10 0.00 1.00 0.00 0.00 33.01 31.62 1xsk s GLN 694 CO 0.30 -0.55 1.62 0.34 -2.12 0.00 0.00 175.29 174.87 1xsk s ASP 695 N -4.19 6.56 0.00 5.90 2.15 -1.26 -1.90 116.67 123.93 1xsk s ASP 695 Ca 0.54 2.62 0.00 0.00 0.43 0.00 0.00 52.55 56.13 1xsk s ASP 695 Cb -0.11 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1xsk s ASP 695 CO 0.52 -0.86 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1xsk n GLY 696 N 3.86 2.77 3.94 2.66 0.00 0.71 -5.04 105.19 114.09 1xsk n GLY 696 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1xsk n GLY 696 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsk s HIS 697 N -2.55 3.33 -0.02 1.61 3.76 -0.80 -4.89 115.29 115.73 1xsk s HIS 697 Ca 0.00 0.34 0.01 0.00 -0.15 0.00 0.00 55.06 55.26 1xsk s HIS 697 Cb 0.00 -2.22 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1xsk s HIS 697 CO 0.00 -0.24 -0.04 -2.00 -0.85 0.00 0.00 174.74 171.61 1xsk s GLU 698 N -4.53 0.53 -0.15 1.40 2.12 -1.26 -2.28 118.70 114.52 1xsk s GLU 698 Ca 0.46 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.65 1xsk s GLU 698 Cb -0.10 -0.55 -0.02 0.00 0.26 0.00 0.00 34.13 33.71 1xsk s GLU 698 CO 0.38 0.01 -0.07 0.00 -0.54 0.00 0.00 175.26 175.04 1xsk s ALA 699 N 0.40 2.85 0.05 6.30 0.00 -0.43 -4.97 121.76 125.96 1xsk s ALA 699 Ca -0.05 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1xsk s ALA 699 Cb -0.08 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 1xsk s ALA 699 CO -0.00 0.20 -0.13 0.08 0.00 0.00 0.00 175.76 175.90 1xsk s VAL 700 N 0.41 3.16 -0.05 0.00 1.01 -1.26 -1.63 120.40 122.04 1xsk s VAL 700 Ca -0.06 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1xsk s VAL 700 Cb -0.15 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1xsk s VAL 700 CO 0.04 0.30 0.08 0.00 0.00 0.00 0.00 175.10 175.51 1xsk s GLU 702 N 2.00 3.49 -0.25 0.00 2.02 -1.26 -0.73 118.70 123.97 1xsk s GLU 702 Ca 0.02 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 1xsk s GLU 702 Cb -0.12 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 1xsk s GLU 702 CO -0.04 0.00 0.17 0.08 0.02 0.00 0.00 175.26 175.50 1xsk s VAL 703 N 0.98 5.34 0.35 2.63 1.01 0.26 -4.89 120.40 126.09 1xsk s VAL 703 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1xsk s VAL 703 Cb -0.15 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1xsk s VAL 703 CO 0.01 0.32 0.72 -2.16 0.00 0.00 0.00 175.10 173.99 1xsk s PRO 704 N 1.21 3.84 0.62 2.72 0.04 -1.26 -0.44 135.00 141.73 1xsk s PRO 704 Ca 0.08 0.47 -0.08 0.00 0.04 0.00 0.00 61.00 61.52 1xsk s PRO 704 Cb -0.14 -2.45 0.14 0.00 0.04 0.00 0.00 34.50 32.09 1xsk s PRO 704 CO 0.06 0.08 0.85 0.00 0.04 0.00 0.00 177.00 178.02 1xsk n ALA 705 N -0.88 -0.64 -0.38 8.56 0.00 0.31 -4.72 120.51 122.77 1xsk n ALA 705 Ca 0.02 -1.27 -0.00 0.00 0.00 0.00 0.00 53.44 52.19 1xsk n ALA 705 Cb 0.54 0.04 0.13 0.00 0.00 0.00 0.00 19.45 20.16 1xsk n ALA 705 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsk h ALA 706 N -1.40 1.32 0.00 0.00 0.00 -1.95 -2.01 119.26 115.22 1xsk h ALA 706 Ca -0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xsk h ALA 706 Cb 0.84 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xsk h ALA 706 CO 0.22 0.58 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 1xsk n ASP 707 N -4.43 0.53 0.00 0.00 5.68 -1.26 -4.79 116.55 112.28 1xsk n ASP 707 Ca 0.13 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1xsk n ASP 707 Cb 0.08 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1xsk n ASP 707 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsk n GLY 708 N 0.22 2.85 3.82 6.12 0.00 -0.76 -5.01 105.19 112.42 1xsk n GLY 708 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xsk n GLY 708 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsk s SER 709 N -3.91 6.13 -0.10 1.61 1.04 -1.26 -4.65 113.70 112.56 1xsk s SER 709 Ca 0.00 1.75 -0.30 0.00 0.48 0.00 0.00 55.95 57.88 1xsk s SER 709 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1xsk s SER 709 CO 0.00 -0.93 1.17 -0.69 0.98 0.00 0.00 173.24 173.77 1xsk s VAL 710 N -2.45 4.38 -0.16 5.02 1.01 -1.26 0.11 120.40 127.05 1xsk s VAL 710 Ca 0.62 1.69 0.17 0.00 0.00 0.00 0.00 61.98 64.45 1xsk s VAL 710 Cb -0.14 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 1xsk s VAL 710 CO 0.33 -0.04 0.42 0.00 0.00 0.00 0.00 175.10 175.81 1xsk n ILE 711 N 4.79 0.00 -3.66 2.22 3.06 0.41 -4.82 119.36 121.36 1xsk n ILE 711 Ca 0.11 -0.33 -0.07 0.00 -2.50 0.00 0.00 62.75 59.96 1xsk n ILE 711 Cb 0.46 0.28 -0.08 0.00 0.54 0.00 0.00 39.64 40.85 1xsk n ILE 711 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1xsk s PHE 712 N -3.04 -0.93 -0.12 9.51 5.36 -1.08 -1.24 117.98 126.45 1xsk s PHE 712 Ca -0.04 1.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1xsk s PHE 712 Cb 0.11 0.49 -0.02 0.00 -0.34 0.00 0.00 43.02 43.26 1xsk s PHE 712 CO 0.68 -0.49 -0.12 0.99 -1.46 0.00 0.00 175.22 174.82 1xsk s THR 713 N 2.02 3.14 -0.15 0.12 2.01 0.05 -0.57 115.64 122.25 1xsk s THR 713 Ca -0.07 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1xsk s THR 713 Cb -0.09 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.13 1xsk s THR 713 CO -0.16 0.53 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.88 1xsk s LEU 714 N 0.14 2.07 0.04 4.42 2.96 0.09 -0.61 118.68 127.80 1xsk s LEU 714 Ca -0.06 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.32 1xsk s LEU 714 Cb -0.15 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1xsk s LEU 714 CO 0.05 0.04 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.40 1xsk s LYS 715 N 1.01 2.06 -0.17 1.98 1.02 0.19 -1.51 119.74 124.33 1xsk s LYS 715 Ca -0.02 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 54.96 1xsk s LYS 715 Cb -0.15 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1xsk s LYS 715 CO -0.06 0.54 0.02 0.00 -0.92 0.00 0.00 175.35 174.93 1xsk s ALA 716 N -0.92 1.03 -0.10 5.17 0.00 -0.65 -0.54 121.76 125.76 1xsk s ALA 716 Ca 0.14 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1xsk s ALA 716 Cb -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1xsk s ALA 716 CO 0.05 -1.01 -0.18 0.00 0.00 0.00 0.00 175.76 174.62 1xsk s ALA 717 N 1.84 2.42 -0.36 0.00 0.00 0.35 -1.31 121.76 124.69 1xsk s ALA 717 Ca 0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 1xsk s ALA 717 Cb -0.16 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1xsk s ALA 717 CO -0.07 0.34 0.18 0.50 0.00 0.00 0.00 175.76 176.70 1xsk s ARG 718 N 0.10 2.77 0.01 0.00 3.52 -0.97 0.27 118.95 124.65 1xsk s ARG 718 Ca -0.09 -1.11 -0.05 0.00 -0.13 0.00 0.00 55.73 54.36 1xsk s ARG 718 Cb -0.15 -3.65 -0.29 0.00 -1.56 0.00 0.00 34.95 29.30 1xsk s ARG 718 CO 0.05 -0.69 0.89 0.00 -0.81 0.00 0.00 175.30 174.74 1xsk h THR 719 N 5.96 1.19 0.00 4.11 1.03 -1.82 0.20 112.91 123.58 1xsk h THR 719 Ca -0.25 -2.80 0.00 0.00 -0.01 0.00 0.00 66.41 63.35 1xsk h THR 719 Cb 1.10 2.81 0.00 0.00 -1.07 0.00 0.00 68.15 70.98 1xsk h THR 719 CO 0.65 0.83 0.00 0.61 -0.01 0.00 0.00 175.52 177.60 1xsk n GLY 720 N 1.67 -1.72 0.00 2.99 0.00 -1.26 -4.55 105.19 102.32 1xsk n GLY 720 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1xsk n GLY 720 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsk n ASN 721 N -2.53 0.14 -4.09 1.61 4.13 -1.26 -4.85 115.26 108.41 1xsk n ASN 721 Ca 0.00 -1.06 -0.33 0.00 1.68 0.00 0.00 54.58 54.87 1xsk n ASN 721 Cb 0.00 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 1xsk n ASN 721 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xsk s THR 722 N -0.06 2.57 -0.32 3.41 2.01 -1.26 -0.84 115.64 121.15 1xsk s THR 722 Ca 0.00 -1.79 -0.17 0.00 0.31 0.00 0.00 61.69 60.05 1xsk s THR 722 Cb 0.00 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1xsk s THR 722 CO 0.00 -0.27 0.45 0.27 -0.69 0.00 0.00 174.62 174.38 1xsk s ILE 723 N 1.10 5.09 0.11 1.82 -4.36 0.53 -2.58 121.20 122.90 1xsk s ILE 723 Ca -0.01 0.37 -0.22 0.00 -0.26 0.00 0.00 60.65 60.54 1xsk s ILE 723 Cb -0.20 -3.86 -0.07 0.00 1.25 0.00 0.00 42.46 39.57 1xsk s ILE 723 CO -0.04 -0.08 0.66 -0.89 0.24 0.00 0.00 174.94 174.82 1xsk s THR 724 N 2.23 4.60 -0.18 8.37 2.01 0.14 -0.96 115.64 131.86 1xsk s THR 724 Ca 0.17 1.42 0.01 0.00 0.31 0.00 0.00 61.69 63.59 1xsk s THR 724 Cb -0.16 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.38 1xsk s THR 724 CO 0.12 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.75 1xsk s VAL 725 N -1.06 1.76 0.01 3.82 1.01 -0.87 -0.50 120.40 124.57 1xsk s VAL 725 Ca 0.32 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1xsk s VAL 725 Cb -0.21 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1xsk s VAL 725 CO 0.22 0.35 -0.19 0.42 0.00 0.00 0.00 175.10 175.90 1xsk s THR 726 N 1.38 1.51 0.10 3.92 -4.23 0.30 -3.98 115.64 114.65 1xsk s THR 726 Ca 0.02 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 1xsk s THR 726 Cb -0.14 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 1xsk s THR 726 CO -0.10 0.31 -0.15 -0.83 -0.54 0.00 0.00 174.62 173.31 1xsk s GLY 727 N -0.75 1.04 -0.04 3.99 0.00 -1.26 0.52 107.32 110.83 1xsk s GLY 727 Ca 0.07 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 1xsk s GLY 727 CO 0.00 -1.24 0.10 0.00 0.00 0.00 0.00 173.10 171.96 1xsk s ALA 728 N -1.71 -0.23 0.00 3.20 0.00 0.22 -4.98 121.76 118.26 1xsk s ALA 728 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1xsk s ALA 728 Cb -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1xsk s ALA 728 CO 0.03 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1xsk n GLY 729 N 3.09 0.54 2.95 0.00 0.00 -1.26 -0.77 105.19 109.75 1xsk n GLY 729 Ca -0.13 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 1xsk n GLY 729 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsk s GLU 730 N 0.00 1.05 -0.26 1.61 2.12 -0.37 -4.99 118.70 117.86 1xsk s GLU 730 Ca 0.00 -0.23 -0.26 0.00 0.36 0.00 0.00 54.97 54.84 1xsk s GLU 730 Cb 0.00 -0.97 0.13 0.00 0.26 0.00 0.00 34.13 33.55 1xsk s GLU 730 CO 0.00 0.00 1.06 0.00 -0.54 0.00 0.00 175.26 175.78 1xsk s ALA 731 N 0.63 -1.99 0.03 6.30 0.00 -1.26 -4.35 121.76 121.13 1xsk s ALA 731 Ca -0.10 1.80 0.05 0.00 0.00 0.00 0.00 51.96 53.71 1xsk s ALA 731 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1xsk s ALA 731 CO 0.01 -0.24 -0.14 0.15 0.00 0.00 0.00 175.76 175.54 1xsk s LYS 732 N -0.06 0.97 -1.22 0.00 3.01 -0.88 -4.89 119.74 116.67 1xsk s LYS 732 Ca 0.03 -0.71 -0.19 0.00 -1.01 0.00 0.00 55.97 54.09 1xsk s LYS 732 Cb -0.04 -0.97 0.00 0.00 -1.01 0.00 0.00 37.83 35.81 1xsk s LYS 732 CO -0.05 0.25 0.68 -1.71 0.51 0.00 0.00 175.35 175.02 1xsk n ASN 733 N 2.05 -3.88 -4.70 2.83 2.85 -1.26 -1.87 115.26 111.28 1xsk n ASN 733 Ca -0.17 -1.08 -0.30 0.00 -0.11 0.00 0.00 54.58 52.92 1xsk n ASN 733 Cb 0.55 -2.95 -0.08 0.00 1.24 0.00 0.00 39.78 38.54 1xsk n ASN 733 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1xsk s TRP 734 N -3.60 3.02 0.31 1.20 1.48 -1.26 -3.09 118.94 117.00 1xsk s TRP 734 Ca 0.37 -0.01 0.08 0.00 -1.06 0.00 0.00 56.10 55.48 1xsk s TRP 734 Cb -0.15 -1.55 -0.04 0.00 -1.16 0.00 0.00 33.47 30.58 1xsk s TRP 734 CO 0.89 0.49 0.16 0.99 -4.06 0.00 0.00 176.95 175.42 1xsk s THR 735 N -1.34 3.43 -0.11 0.66 2.01 -0.40 -4.51 115.64 115.37 1xsk s THR 735 Ca 0.26 -1.62 -0.04 0.00 0.31 0.00 0.00 61.69 60.61 1xsk s THR 735 Cb -0.12 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.38 1xsk s THR 735 CO 0.19 -0.24 0.10 -0.22 -0.69 0.00 0.00 174.62 173.76 1xsk s LEU 736 N -3.85 0.18 -0.24 4.42 1.98 -0.66 -1.22 118.68 119.30 1xsk s LEU 736 Ca 0.37 -0.21 -0.08 0.00 -2.89 0.00 0.00 54.13 51.31 1xsk s LEU 736 Cb -0.05 -0.10 -0.04 0.00 0.66 0.00 0.00 46.19 46.67 1xsk s LEU 736 CO 0.23 -0.30 0.10 0.00 -1.89 0.00 0.00 176.35 174.50 1xsk s LEU 738 N 1.28 3.98 0.10 0.00 1.43 0.21 -1.72 118.68 123.96 1xsk s LEU 738 Ca 0.06 -1.42 -0.33 0.00 -1.03 0.00 0.00 54.13 51.41 1xsk s LEU 738 Cb -0.15 -2.50 -0.12 0.00 0.03 0.00 0.00 46.19 43.45 1xsk s LEU 738 CO 0.05 -1.43 1.76 0.54 0.23 0.00 0.00 176.35 177.50 1xsk n ARG 739 N 8.19 2.47 -1.29 1.70 5.12 -1.07 -1.60 116.66 130.17 1xsk n ARG 739 Ca 0.22 0.90 -0.10 0.00 -1.93 0.00 0.00 57.85 56.94 1xsk n ARG 739 Cb 0.50 -2.74 -0.04 0.00 -1.16 0.00 0.00 32.46 29.01 1xsk n ARG 739 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xsk n ASN 740 N 5.07 -4.86 -4.11 0.55 3.02 0.56 -4.67 115.26 110.82 1xsk n ASN 740 Ca 0.19 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.62 1xsk n ASN 740 Cb 0.33 -3.25 -0.10 0.00 -0.61 0.00 0.00 39.78 36.15 1xsk n ASN 740 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xsk s VAL 741 N -2.16 3.59 0.04 2.41 1.01 -0.63 -4.98 120.40 119.69 1xsk s VAL 741 Ca 0.00 -2.52 -0.27 0.00 0.00 0.00 0.00 61.98 59.19 1xsk s VAL 741 Cb 0.00 -3.39 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 1xsk s VAL 741 CO 0.00 -0.80 1.47 -0.37 0.00 0.00 0.00 175.10 175.40 1xsk h VAL 742 N 5.76 0.66 -3.89 2.92 -1.51 -1.93 0.16 116.25 118.42 1xsk h VAL 742 Ca -0.07 -0.29 -0.34 0.00 -1.23 0.00 0.00 66.70 64.77 1xsk h VAL 742 Cb 1.00 0.81 -0.20 0.00 -2.13 0.00 0.00 31.29 30.77 1xsk h VAL 742 CO 0.72 0.06 -0.75 -0.75 -1.23 0.00 0.00 177.57 175.62 1xsk s LYS 743 N -5.42 0.73 0.31 5.19 2.20 -1.26 -4.28 119.74 117.20 1xsk s LYS 743 Ca -0.15 -0.95 0.09 0.00 -0.36 0.00 0.00 55.97 54.60 1xsk s LYS 743 Cb 0.03 -0.56 -0.06 0.00 -1.51 0.00 0.00 37.83 35.74 1xsk s LYS 743 CO 0.60 0.11 -0.10 0.54 -0.36 0.00 0.00 175.35 176.14 1xsk s VAL 744 N -1.66 2.05 0.00 4.02 0.11 -1.26 -4.55 120.40 119.11 1xsk s VAL 744 Ca -0.03 -2.20 0.00 0.00 -2.93 0.00 0.00 61.98 56.82 1xsk s VAL 744 Cb -0.08 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1xsk s VAL 744 CO 0.01 -0.27 0.04 -3.20 -3.33 0.00 0.00 175.10 168.35 1xsk n ASN 745 N -0.69 0.00 -2.94 3.54 5.15 0.28 -4.82 115.26 115.78 1xsk n ASN 745 Ca -0.05 0.04 -0.07 0.00 -0.60 0.00 0.00 54.58 53.90 1xsk n ASN 745 Cb 0.63 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.89 1xsk n ASN 745 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xsk n GLY 746 N 2.29 2.24 3.21 8.20 0.00 -0.76 -4.97 105.19 115.41 1xsk n GLY 746 Ca 0.00 -2.18 0.04 0.00 0.00 0.00 0.00 46.02 43.88 1xsk n GLY 746 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsk s LEU 747 N 0.00 -0.26 -0.13 0.99 0.20 -1.26 -3.28 118.68 114.94 1xsk s LEU 747 Ca 0.17 0.27 -0.05 0.00 0.69 0.00 0.00 54.13 55.20 1xsk s LEU 747 Cb -0.01 1.26 -0.04 0.00 -0.43 0.00 0.00 46.19 46.97 1xsk s LEU 747 CO 0.11 -0.05 0.07 -1.10 -0.29 0.00 0.00 176.35 175.09 1xsk s GLN 748 N 2.50 3.44 -1.40 1.98 -1.52 0.19 -4.61 119.66 120.25 1xsk s GLN 748 Ca -0.02 -0.28 -0.04 0.00 -1.95 0.00 0.00 55.36 53.06 1xsk s GLN 748 Cb -0.05 -3.06 0.03 0.00 -0.22 0.00 0.00 33.01 29.70 1xsk s GLN 748 CO -0.14 0.61 0.71 -0.25 -0.25 0.00 0.00 175.29 175.98 1xsk n ASP 749 N 2.49 -1.96 -3.59 5.90 9.92 -1.26 -2.44 116.55 125.60 1xsk n ASP 749 Ca -0.19 -0.86 -0.08 0.00 -0.53 0.00 0.00 54.79 53.13 1xsk n ASP 749 Cb 0.54 -3.75 -0.05 0.00 -0.64 0.00 0.00 41.12 37.22 1xsk n ASP 749 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xsk s GLY 750 N -4.06 -0.20 0.29 0.44 0.00 -1.26 -2.63 107.32 99.90 1xsk s GLY 750 Ca 0.20 2.16 0.06 0.00 0.00 0.00 0.00 44.72 47.14 1xsk s GLY 750 CO 0.84 1.01 0.36 -1.35 0.00 0.00 0.00 173.10 173.97 1xsk s SER 751 N -1.15 5.89 0.11 1.64 1.04 0.13 -4.92 113.70 116.44 1xsk s SER 751 Ca 0.01 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1xsk s SER 751 Cb -0.01 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.67 1xsk s SER 751 CO -0.01 -0.25 -0.01 0.00 0.98 0.00 0.00 173.24 173.95 1xsk s GLN 752 N -4.03 0.86 0.25 4.02 -2.07 -1.26 -1.14 119.66 116.28 1xsk s GLN 752 Ca 0.39 -1.38 -0.22 0.00 -1.82 0.00 0.00 55.36 52.34 1xsk s GLN 752 Cb -0.08 0.00 0.03 0.00 -1.09 0.00 0.00 33.01 31.87 1xsk s GLN 752 CO 0.29 -0.13 0.69 0.00 -1.32 0.00 0.00 175.29 174.82 1xsk s ALA 753 N -3.82 -1.32 0.44 2.60 0.00 -0.53 -5.01 121.76 114.12 1xsk s ALA 753 Ca 0.16 -0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.11 1xsk s ALA 753 Cb 0.07 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.06 1xsk s ALA 753 CO -0.03 -0.97 0.54 -1.21 0.00 0.00 0.00 175.76 174.10 1xsk s GLU 754 N -3.87 2.67 -0.07 0.00 2.02 -1.26 -0.91 118.70 117.29 1xsk s GLU 754 Ca 0.08 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.39 1xsk s GLU 754 Cb -0.05 -2.63 0.10 0.00 0.10 0.00 0.00 34.13 31.66 1xsk s GLU 754 CO 0.02 -0.34 0.88 -1.54 0.02 0.00 0.00 175.26 174.30 1xsk s SER 755 N -4.33 -0.43 0.00 -0.19 1.04 -1.22 -4.76 113.70 103.81 1xsk s SER 755 Ca 0.53 0.29 0.09 0.00 0.48 0.00 0.00 55.95 57.34 1xsk s SER 755 Cb -0.07 0.39 0.39 0.00 0.10 0.00 0.00 66.02 66.83 1xsk s SER 755 CO 0.32 -0.53 1.25 1.21 0.98 0.00 0.00 173.24 176.47 1xsk n GLU 756 N 0.34 0.03 -0.00 4.02 0.00 -1.26 -2.19 120.64 121.59 1xsk n GLU 756 Ca -0.12 0.31 0.08 0.00 0.00 0.00 0.00 57.16 57.44 1xsk n GLU 756 Cb 0.60 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.43 1xsk n GLU 756 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1xsk n GLN 757 N -1.44 1.20 0.00 5.31 6.02 -1.26 -4.96 117.38 122.24 1xsk n GLN 757 Ca 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xsk n GLN 757 Cb 0.09 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1xsk n GLN 757 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xsk n GLY 758 N 1.42 3.27 3.75 1.08 0.00 -0.93 -0.32 105.19 113.45 1xsk n GLY 758 Ca 0.02 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1xsk n GLY 758 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xsk s LEU 759 N 0.00 4.35 -0.22 0.99 2.96 0.56 -3.43 118.68 123.89 1xsk s LEU 759 Ca 0.00 2.95 -0.07 0.00 -0.22 0.00 0.00 54.13 56.79 1xsk s LEU 759 Cb 0.00 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1xsk s LEU 759 CO 0.00 -0.93 0.05 -0.69 -1.32 0.00 0.00 176.35 173.46 1xsk s VAL 760 N 0.17 4.38 -0.12 1.68 1.01 -0.09 0.68 120.40 128.11 1xsk s VAL 760 Ca 0.65 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1xsk s VAL 760 Cb -0.48 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1xsk s VAL 760 CO 0.46 0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 175.09 1xsk s VAL 761 N 1.07 2.64 -0.15 2.92 1.01 0.10 -1.46 120.40 126.53 1xsk s VAL 761 Ca 0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1xsk s VAL 761 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1xsk s VAL 761 CO 0.03 0.54 -0.13 -0.75 0.00 0.00 0.00 175.10 174.78 1xsk s LYS 762 N 0.36 3.29 0.50 2.72 2.20 -0.29 -1.65 119.74 126.88 1xsk s LYS 762 Ca -0.14 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 54.70 1xsk s LYS 762 Cb -0.17 -2.67 0.11 0.00 -1.51 0.00 0.00 37.83 33.59 1xsk s LYS 762 CO 0.07 0.06 0.69 -0.35 -0.36 0.00 0.00 175.35 175.45 1xsk n PRO 763 N 3.96 -0.31 0.00 4.03 -0.04 -1.26 0.18 135.00 141.56 1xsk n PRO 763 Ca -0.19 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1xsk n PRO 763 Cb 0.52 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 1xsk n PRO 763 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsk n GLN 764 N -2.38 0.00 0.00 0.54 0.00 -1.08 -4.80 117.38 109.65 1xsk n GLN 764 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1xsk n GLN 764 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.58 1xsk n GLN 764 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xsk n GLY 765 N 0.00 0.67 3.29 2.61 0.00 -1.26 -4.48 105.19 106.02 1xsk n GLY 765 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1xsk n GLY 765 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsk n ASN 766 N 0.00 -4.55 -0.19 1.61 5.15 -1.26 -4.82 115.26 111.19 1xsk n ASN 766 Ca 0.00 -0.33 -0.00 0.00 -0.60 0.00 0.00 54.58 53.65 1xsk n ASN 766 Cb 0.00 -1.37 -0.00 0.00 -0.53 0.00 0.00 39.78 37.88 1xsk n ASN 766 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xsk n ALA 767 N -0.73 0.66 -1.60 5.20 0.00 -1.26 -5.02 120.51 117.76 1xsk n ALA 767 Ca -0.13 -0.01 -0.46 0.00 0.00 0.00 0.00 53.44 52.83 1xsk n ALA 767 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1xsk n ALA 767 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xsk n LEU 768 N 0.00 1.87 -3.75 0.00 7.94 -1.26 -4.69 117.00 117.12 1xsk n LEU 768 Ca -0.00 1.16 -0.13 0.00 -1.11 0.00 0.00 56.01 55.93 1xsk n LEU 768 Cb 0.18 -1.28 -0.11 0.00 0.53 0.00 0.00 43.42 42.74 1xsk n LEU 768 CO -0.00 -1.22 -0.00 0.42 -1.11 0.00 0.00 177.39 175.47 1xsk s THR 769 N -0.52 -0.01 -0.04 1.96 -4.23 -1.02 -2.05 115.64 109.72 1xsk s THR 769 Ca 0.67 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.26 1xsk s THR 769 Cb -0.76 -0.48 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1xsk s THR 769 CO 0.55 0.01 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.82 1xsk s ILE 770 N 0.45 2.60 -0.31 2.99 -1.09 -0.13 -0.64 121.20 125.07 1xsk s ILE 770 Ca -0.02 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.52 1xsk s ILE 770 Cb -0.04 -1.98 0.08 0.00 -1.58 0.00 0.00 42.46 38.94 1xsk s ILE 770 CO -0.02 0.58 0.01 -0.89 -1.23 0.00 0.00 174.94 173.39 1xsk s THR 771 N -0.57 2.56 0.76 2.92 2.01 -1.21 -0.35 115.64 121.77 1xsk s THR 771 Ca 0.08 -1.85 -0.11 0.00 0.31 0.00 0.00 61.69 60.12 1xsk s THR 771 Cb -0.11 -2.65 0.05 0.00 0.01 0.00 0.00 72.50 69.80 1xsk s THR 771 CO 0.01 -0.31 1.08 -0.76 -0.69 0.00 0.00 174.62 173.94 1xsk s LEU 772 N 1.08 2.94 0.00 4.42 2.01 -0.02 -0.56 118.68 128.55 1xsk s LEU 772 Ca 0.00 1.65 0.24 0.00 0.01 0.00 0.00 54.13 56.04 1xsk s LEU 772 Cb -0.20 -4.38 1.44 0.00 0.01 0.00 0.00 46.19 43.06 1xsk s LEU 772 CO -0.05 -1.87 1.80 0.00 1.01 0.00 0.00 176.35 177.24