#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0h n THR 2 N 0.00 1.28 -0.90 0.00 5.66 -1.26 -5.04 114.28 114.03 1h0h n THR 2 Ca 0.00 -0.13 -0.35 0.00 -3.05 0.00 0.00 64.05 60.52 1h0h n THR 2 Cb 0.00 -1.93 -0.05 0.00 -1.55 0.00 0.00 70.33 66.80 1h0h n THR 2 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1h0h n MET 3 N -4.07 0.00 -3.48 1.09 2.00 -1.26 -4.96 117.12 106.43 1h0h n MET 3 Ca -0.32 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.06 1h0h n MET 3 Cb 0.67 -0.84 -0.05 0.00 0.00 0.00 0.00 33.22 32.99 1h0h n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1h0h s ALA 4 N 0.67 3.63 0.18 3.04 0.00 -1.26 -5.07 121.76 122.95 1h0h s ALA 4 Ca 0.54 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.91 1h0h s ALA 4 Cb -0.76 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1h0h s ALA 4 CO 0.38 0.55 0.80 -0.51 0.00 0.00 0.00 175.76 176.97 1h0h s LEU 5 N -2.61 4.59 0.59 0.00 1.43 -1.26 -4.94 118.68 116.48 1h0h s LEU 5 Ca 0.44 1.68 0.29 0.00 -1.03 0.00 0.00 54.13 55.50 1h0h s LEU 5 Cb -0.12 -3.36 1.41 0.00 0.03 0.00 0.00 46.19 44.14 1h0h s LEU 5 CO 0.21 0.19 1.80 0.07 0.23 0.00 0.00 176.35 178.86 1h0h h LYS 6 N 4.23 0.00 -0.08 1.70 2.10 -2.00 -2.81 116.57 119.72 1h0h h LYS 6 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1h0h h LYS 6 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1h0h h LYS 6 CO 0.66 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.36 1h0h n THR 7 N -3.67 0.07 -0.34 0.07 -2.24 -1.26 -4.75 114.28 102.16 1h0h n THR 7 Ca 0.12 -0.40 0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1h0h n THR 7 Cb 0.84 0.90 0.34 0.00 -2.10 0.00 0.00 70.33 70.31 1h0h n THR 7 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1h0h h VAL 8 N 3.43 0.60 -0.31 2.28 3.04 -1.91 -1.64 116.25 121.74 1h0h h VAL 8 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1h0h h VAL 8 Cb 0.73 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1h0h h VAL 8 CO 0.00 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.14 1h0h n ASP 9 N -4.87 3.89 -4.86 3.17 8.00 -1.26 -5.02 116.55 115.61 1h0h n ASP 9 Ca 0.24 -2.81 -0.31 0.00 0.71 0.00 0.00 54.79 52.62 1h0h n ASP 9 Cb 0.65 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1h0h n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h0h s ALA 10 N -2.47 3.14 0.01 2.24 0.00 -0.62 -4.68 121.76 119.37 1h0h s ALA 10 Ca 0.40 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1h0h s ALA 10 Cb 0.31 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1h0h s ALA 10 CO 0.11 -0.33 1.02 0.21 0.00 0.00 0.00 175.76 176.78 1h0h s LYS 11 N -4.36 4.53 -0.22 0.00 2.20 0.76 -4.81 119.74 117.84 1h0h s LYS 11 Ca 0.56 1.48 -0.07 0.00 -0.36 0.00 0.00 55.97 57.58 1h0h s LYS 11 Cb -0.10 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1h0h s LYS 11 CO 0.38 -0.10 0.06 -1.14 -0.36 0.00 0.00 175.35 174.19 1h0h s GLN 12 N 1.07 3.79 0.27 4.03 0.74 -1.26 -0.84 119.66 127.46 1h0h s GLN 12 Ca 0.53 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.55 1h0h s GLN 12 Cb -0.22 -3.27 -0.06 0.00 1.10 0.00 0.00 33.01 30.57 1h0h s GLN 12 CO 0.28 0.02 0.02 0.95 -0.55 0.00 0.00 175.29 176.01 1h0h s THR 13 N 1.05 1.05 0.21 -0.34 -4.23 0.05 -4.97 115.64 108.46 1h0h s THR 13 Ca 0.04 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1h0h s THR 13 Cb -0.14 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1h0h s THR 13 CO 0.03 -0.18 0.18 0.42 -0.54 0.00 0.00 174.62 174.52 1h0h s THR 14 N -3.40 4.50 0.21 3.99 -4.23 -1.26 -0.44 115.64 115.00 1h0h s THR 14 Ca 0.32 -1.24 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1h0h s THR 14 Cb 0.07 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1h0h s THR 14 CO 0.12 -0.24 0.34 -0.24 -0.54 0.00 0.00 174.62 174.05 1h0h n SER 15 N -0.82 -0.96 -3.89 3.99 2.88 -0.87 -2.70 113.62 111.26 1h0h n SER 15 Ca -0.08 -2.07 -0.16 0.00 -1.33 0.00 0.00 58.87 55.24 1h0h n SER 15 Cb 0.56 1.72 -0.15 0.00 -0.75 0.00 0.00 64.21 65.59 1h0h n SER 15 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1h0h s VAL 16 N -2.61 0.25 0.27 2.46 1.01 -1.26 -0.55 120.40 119.97 1h0h s VAL 16 Ca 0.15 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1h0h s VAL 16 Cb -0.01 -0.26 -0.14 0.00 0.00 0.00 0.00 36.38 35.96 1h0h s VAL 16 CO 0.11 0.11 1.01 0.00 0.00 0.00 0.00 175.10 176.32 1h0h n TYR 19 N 0.98 0.00 -2.21 0.00 4.01 -1.26 -4.51 117.16 114.17 1h0h n TYR 19 Ca 0.18 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.65 1h0h n TYR 19 Cb 0.46 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.62 1h0h n TYR 19 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h0h n SER 21 N -3.25 0.21 -0.30 0.00 3.41 -0.79 -3.77 113.62 109.13 1h0h n SER 21 Ca 0.13 -1.80 -0.03 0.00 -0.26 0.00 0.00 58.87 56.92 1h0h n SER 21 Cb 0.60 -0.02 0.14 0.00 -0.26 0.00 0.00 64.21 64.66 1h0h n SER 21 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1h0h h VAL 22 N 0.25 1.24 0.00 -3.33 2.07 -1.89 -1.10 116.25 113.49 1h0h h VAL 22 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1h0h h VAL 22 Cb 0.06 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1h0h h VAL 22 CO 0.00 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.47 1h0h n GLY 23 N -1.20 1.15 3.73 2.17 0.00 -1.25 -4.77 105.19 105.02 1h0h n GLY 23 Ca 0.09 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1h0h n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0h s GLY 25 N 0.27 2.53 0.18 0.00 0.00 -1.26 -1.22 107.32 107.82 1h0h s GLY 25 Ca 0.62 0.46 0.10 0.00 0.00 0.00 0.00 44.72 45.90 1h0h s GLY 25 CO 0.53 0.79 -0.21 1.08 0.00 0.00 0.00 173.10 175.29 1h0h s LEU 26 N -2.82 2.43 -0.10 0.66 1.43 0.29 -1.71 118.68 118.85 1h0h s LEU 26 Ca 0.58 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1h0h s LEU 26 Cb -0.13 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1h0h s LEU 26 CO 0.17 0.04 -0.21 -0.63 0.23 0.00 0.00 176.35 175.95 1h0h s ILE 27 N -1.85 2.38 -0.08 -0.59 -1.09 0.18 -2.04 121.20 118.10 1h0h s ILE 27 Ca 0.18 -0.91 0.04 0.00 -2.23 0.00 0.00 60.65 57.73 1h0h s ILE 27 Cb -0.07 -1.94 -0.01 0.00 -1.58 0.00 0.00 42.46 38.87 1h0h s ILE 27 CO 0.08 0.55 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.43 1h0h s VAL 28 N 0.26 2.31 -0.19 2.92 1.01 0.41 -1.84 120.40 125.27 1h0h s VAL 28 Ca -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1h0h s VAL 28 Cb -0.17 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1h0h s VAL 28 CO 0.07 0.56 -0.12 -1.00 0.00 0.00 0.00 175.10 174.62 1h0h s HIS 29 N 0.02 2.86 -0.11 5.22 3.76 -0.19 -0.77 115.29 126.09 1h0h s HIS 29 Ca -0.08 -1.18 0.02 0.00 -0.15 0.00 0.00 55.06 53.67 1h0h s HIS 29 Cb -0.15 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 1h0h s HIS 29 CO 0.05 -0.61 -0.18 0.99 -0.85 0.00 0.00 174.74 174.15 1h0h s THR 30 N 1.26 2.63 0.06 1.30 2.01 -0.02 -0.15 115.64 122.74 1h0h s THR 30 Ca 0.03 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 1h0h s THR 30 Cb -0.14 -2.06 -0.08 0.00 0.01 0.00 0.00 72.50 70.24 1h0h s THR 30 CO -0.06 0.55 1.54 -0.62 -0.69 0.00 0.00 174.62 175.34 1h0h s ASP 31 N 0.20 6.70 0.49 3.53 -1.08 -0.33 -0.17 116.67 125.99 1h0h s ASP 31 Ca -0.11 2.37 0.27 0.00 -0.52 0.00 0.00 52.55 54.56 1h0h s ASP 31 Cb -0.16 -2.57 1.18 0.00 -1.46 0.00 0.00 42.92 39.91 1h0h s ASP 31 CO 0.06 -0.81 1.93 0.11 0.52 0.00 0.00 175.17 176.99 1h0h h LYS 32 N 7.85 0.00 0.13 4.34 1.57 -1.90 0.66 116.57 129.23 1h0h h LYS 32 Ca -0.41 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.10 1h0h h LYS 32 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1h0h h LYS 32 CO 0.91 0.16 -1.34 0.87 -0.57 0.00 0.00 179.45 179.48 1h0h h LYS 33 N 0.00 0.28 0.00 3.15 1.57 -1.97 -3.38 116.57 116.22 1h0h h LYS 33 Ca -0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1h0h h LYS 33 Cb 0.58 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1h0h h LYS 33 CO 0.02 1.23 -1.07 0.25 -0.57 0.00 0.00 179.45 179.31 1h0h n THR 34 N -3.92 0.22 -1.79 -0.16 -2.24 -1.21 -4.95 114.28 100.24 1h0h n THR 34 Ca -0.23 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1h0h n THR 34 Cb 0.91 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1h0h n THR 34 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1h0h n ASN 35 N -2.08 -5.43 -4.73 3.42 3.02 0.22 -4.97 115.26 104.71 1h0h n ASN 35 Ca 0.01 0.35 -0.27 0.00 -0.03 0.00 0.00 54.58 54.64 1h0h n ASN 35 Cb 0.46 -4.60 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 1h0h n ASN 35 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1h0h s ARG 36 N -4.02 2.67 0.32 3.52 1.81 -1.25 -2.28 118.95 119.71 1h0h s ARG 36 Ca 0.00 -0.93 -0.29 0.00 -1.72 0.00 0.00 55.73 52.79 1h0h s ARG 36 Cb 0.00 -2.54 -0.10 0.00 -0.45 0.00 0.00 34.95 31.86 1h0h s ARG 36 CO 0.00 0.49 1.35 0.00 -0.68 0.00 0.00 175.30 176.46 1h0h s ALA 37 N -1.64 3.53 -0.32 2.13 0.00 -1.26 -1.19 121.76 123.01 1h0h s ALA 37 Ca 0.29 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1h0h s ALA 37 Cb -0.10 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1h0h s ALA 37 CO 0.21 -0.71 0.32 0.44 0.00 0.00 0.00 175.76 176.02 1h0h n ILE 38 N 1.13 0.00 -3.60 0.00 -5.35 0.79 -4.84 119.36 107.49 1h0h n ILE 38 Ca 0.02 -0.29 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1h0h n ILE 38 Cb 0.41 0.88 -0.07 0.00 -1.74 0.00 0.00 39.64 39.13 1h0h n ILE 38 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1h0h s ASN 39 N -1.96 -0.66 -0.07 7.28 2.47 -1.10 -5.01 114.94 115.88 1h0h s ASN 39 Ca 0.02 1.10 -0.03 0.00 0.42 0.00 0.00 52.86 54.37 1h0h s ASN 39 Cb 0.06 1.05 0.04 0.00 -1.45 0.00 0.00 41.25 40.96 1h0h s ASN 39 CO 0.33 -0.35 0.14 -0.69 -3.72 0.00 0.00 177.10 172.81 1h0h s VAL 40 N -0.19 -0.20 0.21 -5.21 1.01 -1.26 -1.02 120.40 113.74 1h0h s VAL 40 Ca -0.03 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1h0h s VAL 40 Cb -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1h0h s VAL 40 CO 0.03 0.15 0.31 -1.84 0.00 0.00 0.00 175.10 173.74 1h0h n GLU 41 N 5.17 0.44 -2.65 2.72 0.28 -0.77 -4.73 120.64 121.11 1h0h n GLU 41 Ca -0.07 -1.67 -0.34 0.00 -0.16 0.00 0.00 57.16 54.91 1h0h n GLU 41 Cb 0.50 1.63 -0.05 0.00 1.43 0.00 0.00 31.44 34.96 1h0h n GLU 41 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1h0h s GLY 42 N -2.31 2.52 -0.54 -1.84 0.00 -1.24 0.47 107.32 104.39 1h0h s GLY 42 Ca 0.17 0.55 -0.25 0.00 0.00 0.00 0.00 44.72 45.20 1h0h s GLY 42 CO 0.12 0.88 0.96 -0.35 0.00 0.00 0.00 173.10 174.71 1h0h s ASP 43 N -1.96 6.37 0.60 1.64 -1.08 -0.69 -4.36 116.67 117.20 1h0h s ASP 43 Ca 0.63 -0.24 0.31 0.00 -0.52 0.00 0.00 52.55 52.73 1h0h s ASP 43 Cb -0.15 -2.45 1.82 0.00 -1.46 0.00 0.00 42.92 40.69 1h0h s ASP 43 CO 0.19 -1.21 2.20 1.55 0.52 0.00 0.00 175.17 178.42 1h0h h PRO 44 N 9.29 0.00 0.00 4.34 0.13 -1.87 -1.20 132.00 142.69 1h0h h PRO 44 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1h0h h PRO 44 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1h0h h PRO 44 CO 1.08 0.00 -0.42 -0.25 -0.23 0.00 0.00 178.00 178.19 1h0h n ASP 45 N -3.72 0.46 -4.70 1.44 8.00 -1.26 -4.16 116.55 112.61 1h0h n ASP 45 Ca -0.01 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 1h0h n ASP 45 Cb 0.18 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1h0h n ASP 45 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1h0h s HIS 46 N -3.04 2.99 0.42 1.24 2.46 -0.73 -4.90 115.29 113.72 1h0h s HIS 46 Ca 0.10 0.85 0.21 0.00 0.47 0.00 0.00 55.06 56.69 1h0h s HIS 46 Cb 0.17 -3.68 1.20 0.00 -0.13 0.00 0.00 32.58 30.13 1h0h s HIS 46 CO 0.67 -2.47 2.01 -1.00 -2.47 0.00 0.00 174.74 171.48 1h0h h PRO 47 N 7.45 0.00 0.03 2.88 0.13 -1.89 0.64 132.00 141.23 1h0h h PRO 47 Ca -0.40 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1h0h h PRO 47 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h0h h PRO 47 CO 0.89 0.17 -0.01 0.82 -0.23 0.00 0.00 178.00 179.63 1h0h h ILE 48 N 0.00 1.39 0.00 -3.56 2.04 -1.93 -3.40 117.51 112.05 1h0h h ILE 48 Ca -0.00 -1.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.03 1h0h h ILE 48 Cb 0.36 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1h0h h ILE 48 CO 0.02 0.42 -2.04 -0.46 0.00 0.00 0.00 178.15 176.10 1h0h n ASN 49 N -4.73 0.02 -3.08 1.72 6.94 -1.23 -4.98 115.26 109.93 1h0h n ASN 49 Ca -0.08 0.01 -0.21 0.00 -0.02 0.00 0.00 54.58 54.27 1h0h n ASN 49 Cb 0.35 1.82 0.01 0.00 -2.36 0.00 0.00 39.78 39.60 1h0h n ASN 49 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1h0h n GLU 50 N -2.34 -3.71 -0.02 -3.83 1.02 0.21 -1.20 120.64 110.77 1h0h n GLU 50 Ca -0.08 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1h0h n GLU 50 Cb 0.66 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 1h0h n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h0h n GLY 51 N -1.24 1.16 3.82 0.62 0.00 -0.53 -4.53 105.19 104.48 1h0h n GLY 51 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1h0h n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h0h s SER 52 N -2.80 5.91 -0.15 1.61 0.01 -0.34 -3.65 113.70 114.29 1h0h s SER 52 Ca 0.00 1.71 -0.16 0.00 1.31 0.00 0.00 55.95 58.81 1h0h s SER 52 Cb 0.00 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.75 1h0h s SER 52 CO 0.00 -1.08 0.45 -0.76 0.41 0.00 0.00 173.24 172.26 1h0h s LEU 53 N -4.63 0.29 0.00 2.44 1.43 -1.26 -4.83 118.68 112.13 1h0h s LEU 53 Ca 0.61 0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 54.40 1h0h s LEU 53 Cb -0.14 1.56 0.22 0.00 0.03 0.00 0.00 46.19 47.86 1h0h s LEU 53 CO 0.40 -0.19 1.10 0.00 0.23 0.00 0.00 176.35 177.89 1h0h h ALA 55 N -2.09 1.26 0.23 0.00 0.00 -1.97 -0.63 119.26 116.06 1h0h h ALA 55 Ca -0.37 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1h0h h ALA 55 Cb 1.06 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1h0h h ALA 55 CO 0.26 -0.38 -0.11 0.87 0.00 0.00 0.00 179.25 179.89 1h0h h LYS 56 N 0.31 -0.29 -0.92 0.00 1.57 -1.86 -2.27 116.57 113.10 1h0h h LYS 56 Ca 0.52 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.35 1h0h h LYS 56 Cb 0.99 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 1h0h h LYS 56 CO -0.57 -0.01 0.61 0.78 -0.57 0.00 0.00 179.45 179.69 1h0h h GLY 57 N -0.57 1.32 2.00 3.86 0.00 -1.84 -2.35 103.07 105.49 1h0h h GLY 57 Ca -0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1h0h h GLY 57 CO 0.05 0.41 -0.07 0.00 0.00 0.00 0.00 176.54 176.93 1h0h h ALA 58 N 1.45 1.17 -0.02 3.60 0.00 -0.94 -2.50 119.26 122.03 1h0h h ALA 58 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1h0h h ALA 58 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h0h h ALA 58 CO -0.10 0.09 -0.06 -1.13 0.00 0.00 0.00 179.25 178.05 1h0h n SER 59 N -3.42 1.81 -0.32 0.00 3.41 -0.87 -4.58 113.62 109.65 1h0h n SER 59 Ca -0.02 -1.53 0.20 0.00 -0.26 0.00 0.00 58.87 57.26 1h0h n SER 59 Cb 0.22 0.04 0.40 0.00 -0.26 0.00 0.00 64.21 64.61 1h0h n SER 59 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1h0h h THR 60 N 2.75 0.22 -0.80 6.66 2.02 -1.46 0.05 112.91 122.36 1h0h h THR 60 Ca 0.00 -0.07 0.15 0.00 0.77 0.00 0.00 66.41 67.26 1h0h h THR 60 Cb 0.63 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 1h0h h THR 60 CO 0.00 0.04 0.37 -0.25 0.37 0.00 0.00 175.52 176.04 1h0h h TRP 61 N 0.19 0.64 0.00 3.16 7.01 -1.85 0.83 115.95 125.94 1h0h h TRP 61 Ca 0.66 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.67 1h0h h TRP 61 Cb 1.49 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 28.38 1h0h h TRP 61 CO -0.17 0.12 -0.15 1.96 -2.79 0.00 0.00 178.44 177.41 1h0h h GLN 62 N 0.53 0.00 -0.07 2.65 4.20 -1.28 -0.50 115.11 120.64 1h0h h GLN 62 Ca 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.13 1h0h h GLN 62 Cb 0.65 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1h0h h GLN 62 CO -0.38 0.15 -0.04 1.25 -0.67 0.00 0.00 178.83 179.13 1h0h h LEU 63 N 0.00 0.15 0.05 1.46 5.85 -0.86 -3.35 115.31 118.61 1h0h h LEU 63 Ca -0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1h0h h LEU 63 Cb 0.47 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1h0h h LEU 63 CO 0.02 0.56 -0.02 0.00 -0.34 0.00 0.00 178.44 178.66 1h0h h ALA 64 N 0.59 -0.06 -0.96 1.25 0.00 -1.31 -3.37 119.26 115.41 1h0h h ALA 64 Ca 0.01 -0.28 -0.74 0.00 0.00 0.00 0.00 54.91 53.90 1h0h h ALA 64 Cb 0.51 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 1h0h h ALA 64 CO 0.01 -0.23 2.03 0.39 0.00 0.00 0.00 179.25 181.45 1h0h n GLU 65 N -4.84 3.44 -3.79 0.00 -0.58 -0.21 -4.89 120.64 109.77 1h0h n GLU 65 Ca -0.09 -3.46 -0.25 0.00 -0.42 0.00 0.00 57.16 52.94 1h0h n GLU 65 Cb 0.29 -3.03 -0.17 0.00 -0.57 0.00 0.00 31.44 27.96 1h0h n GLU 65 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1h0h s ASN 66 N 1.81 1.99 0.09 1.62 3.84 -1.26 -4.77 114.94 118.26 1h0h s ASN 66 Ca 0.42 -0.29 0.19 0.00 0.21 0.00 0.00 52.86 53.40 1h0h s ASN 66 Cb 0.07 -0.55 0.80 0.00 -0.55 0.00 0.00 41.25 41.02 1h0h s ASN 66 CO -0.00 -0.20 1.60 -0.62 -2.79 0.00 0.00 177.10 175.08 1h0h n GLU 67 N 5.09 0.07 0.00 0.43 4.71 -1.26 -2.19 120.64 127.49 1h0h n GLU 67 Ca -0.08 0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.48 1h0h n GLU 67 Cb 0.49 -1.63 0.50 0.00 -1.01 0.00 0.00 31.44 29.79 1h0h n GLU 67 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1h0h n ARG 68 N -1.77 0.24 -2.11 3.49 1.74 -1.26 -4.75 116.66 112.24 1h0h n ARG 68 Ca 0.03 -0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.61 1h0h n ARG 68 Cb 0.22 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1h0h n ARG 68 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1h0h s ARG 69 N -2.82 4.00 0.06 5.56 0.52 -0.93 -4.61 118.95 120.73 1h0h s ARG 69 Ca 0.18 1.87 -0.31 0.00 -0.52 0.00 0.00 55.73 56.95 1h0h s ARG 69 Cb 0.19 -3.98 -0.10 0.00 0.52 0.00 0.00 34.95 31.57 1h0h s ARG 69 CO 0.56 -1.05 1.89 -2.30 0.02 0.00 0.00 175.30 174.43 1h0h n PRO 70 N 7.32 2.72 0.21 3.54 -0.02 -1.26 -4.87 135.00 142.64 1h0h n PRO 70 Ca 0.18 0.99 0.05 0.00 -2.02 0.00 0.00 63.50 62.70 1h0h n PRO 70 Cb 0.44 -2.90 0.44 0.00 -0.02 0.00 0.00 33.50 31.46 1h0h n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h0h h ALA 71 N 9.39 1.39 -2.83 3.55 0.00 -1.92 -3.44 119.26 125.40 1h0h h ALA 71 Ca -0.48 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 53.83 1h0h h ALA 71 Cb 1.24 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1h0h h ALA 71 CO 0.94 0.37 -0.74 -0.80 0.00 0.00 0.00 179.25 179.02 1h0h s ASN 72 N -6.77 1.46 0.58 0.00 0.01 -1.26 -0.11 114.94 108.85 1h0h s ASN 72 Ca -0.03 -0.78 -0.20 0.00 -0.71 0.00 0.00 52.86 51.15 1h0h s ASN 72 Cb 0.14 0.00 -0.05 0.00 0.41 0.00 0.00 41.25 41.75 1h0h s ASN 72 CO 0.69 -0.24 1.07 -2.65 -1.51 0.00 0.00 177.10 174.47 1h0h n PRO 73 N 0.68 1.10 -4.72 -0.60 -0.02 -1.26 -4.76 135.00 125.42 1h0h n PRO 73 Ca -0.17 0.42 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 1h0h n PRO 73 Cb 0.57 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 1h0h n PRO 73 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h0h s LEU 74 N -2.35 1.83 -0.05 2.45 1.43 -0.47 -2.12 118.68 119.41 1h0h s LEU 74 Ca 0.74 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 1h0h s LEU 74 Cb -0.43 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 1h0h s LEU 74 CO 0.48 0.11 -0.25 -0.47 0.23 0.00 0.00 176.35 176.44 1h0h s TYR 75 N 0.26 2.42 -0.19 0.29 5.04 0.50 -0.07 117.35 125.61 1h0h s TYR 75 Ca -0.08 -0.63 0.01 0.00 -2.44 0.00 0.00 57.07 53.93 1h0h s TYR 75 Cb -0.13 -1.58 0.02 0.00 0.35 0.00 0.00 41.96 40.63 1h0h s TYR 75 CO 0.03 -0.16 -0.19 0.50 -1.34 0.00 0.00 175.55 174.39 1h0h s ARG 76 N -0.29 2.92 0.58 4.97 3.00 0.06 -0.09 118.95 130.10 1h0h s ARG 76 Ca 0.00 -0.88 -0.11 0.00 -1.00 0.00 0.00 55.73 53.74 1h0h s ARG 76 Cb -0.13 -2.60 -0.05 0.00 0.00 0.00 0.00 34.95 32.17 1h0h s ARG 76 CO 0.02 -0.24 0.99 0.00 0.00 0.00 0.00 175.30 176.07 1h0h s ALA 77 N 1.27 3.13 0.12 6.12 0.00 -1.26 -1.36 121.76 129.78 1h0h s ALA 77 Ca 0.04 -0.08 -0.35 0.00 0.00 0.00 0.00 51.96 51.56 1h0h s ALA 77 Cb -0.14 -3.03 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 1h0h s ALA 77 CO -0.12 -0.56 1.38 -2.30 0.00 0.00 0.00 175.76 174.16 1h0h n PRO 78 N -2.45 1.45 -0.85 0.00 -0.02 -1.26 -1.45 135.00 130.42 1h0h n PRO 78 Ca 0.05 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1h0h n PRO 78 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1h0h n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h0h n GLY 79 N 2.66 0.67 3.84 -1.23 0.00 -0.30 -5.00 105.19 105.82 1h0h n GLY 79 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1h0h n GLY 79 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h0h s SER 80 N -2.65 6.84 -0.00 1.61 0.15 -0.53 -3.81 113.70 115.31 1h0h s SER 80 Ca 0.00 1.33 0.22 0.00 0.70 0.00 0.00 55.95 58.21 1h0h s SER 80 Cb 0.00 -2.39 0.65 0.00 -1.71 0.00 0.00 66.02 62.57 1h0h s SER 80 CO 0.00 -0.17 1.54 -0.90 1.20 0.00 0.00 173.24 174.91 1h0h n ASP 81 N -0.16 3.98 -3.86 5.45 5.68 -1.26 -4.80 116.55 121.58 1h0h n ASP 81 Ca 0.03 -2.01 -0.11 0.00 -0.50 0.00 0.00 54.79 52.19 1h0h n ASP 81 Cb 0.53 -0.49 -0.09 0.00 -1.14 0.00 0.00 41.12 39.92 1h0h n ASP 81 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h0h s GLN 82 N -1.03 0.56 0.64 0.11 -2.07 -1.26 -5.03 119.66 111.57 1h0h s GLN 82 Ca 0.49 -0.46 -0.15 0.00 -1.82 0.00 0.00 55.36 53.42 1h0h s GLN 82 Cb 0.26 0.23 -0.01 0.00 -1.09 0.00 0.00 33.01 32.40 1h0h s GLN 82 CO 0.33 -0.14 1.08 -1.58 -1.32 0.00 0.00 175.29 173.66 1h0h s TRP 83 N -1.75 2.82 -0.07 9.60 0.23 -1.26 -4.66 118.94 123.85 1h0h s TRP 83 Ca -0.12 1.52 0.02 0.00 -2.03 0.00 0.00 56.10 55.50 1h0h s TRP 83 Cb -0.05 -3.07 0.01 0.00 0.03 0.00 0.00 33.47 30.39 1h0h s TRP 83 CO 0.00 -1.41 -0.14 -2.00 0.96 0.00 0.00 176.95 174.37 1h0h s GLU 84 N -4.19 1.88 0.31 4.98 2.12 0.87 -4.92 118.70 119.75 1h0h s GLU 84 Ca 0.65 -0.47 -0.28 0.00 0.36 0.00 0.00 54.97 55.22 1h0h s GLU 84 Cb -0.18 -1.53 -0.09 0.00 0.26 0.00 0.00 34.13 32.58 1h0h s GLU 84 CO 0.41 0.04 1.12 -1.21 -0.54 0.00 0.00 175.26 175.08 1h0h s GLU 85 N 0.65 4.49 0.10 4.30 2.02 -1.26 -0.37 118.70 128.62 1h0h s GLU 85 Ca -0.15 1.82 0.01 0.00 0.02 0.00 0.00 54.97 56.67 1h0h s GLU 85 Cb -0.16 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1h0h s GLU 85 CO 0.04 0.07 -0.05 0.15 0.02 0.00 0.00 175.26 175.49 1h0h s LYS 86 N -1.71 0.82 0.64 1.61 -0.14 -0.90 -4.89 119.74 115.17 1h0h s LYS 86 Ca 0.48 -1.34 -0.13 0.00 -1.36 0.00 0.00 55.97 53.62 1h0h s LYS 86 Cb -0.31 -0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 35.70 1h0h s LYS 86 CO 0.40 -0.05 1.06 -1.54 -0.76 0.00 0.00 175.35 174.46 1h0h s SER 87 N -3.03 5.58 0.34 2.83 1.04 -1.26 -4.04 113.70 115.16 1h0h s SER 87 Ca 0.12 1.73 0.03 0.00 0.48 0.00 0.00 55.95 58.31 1h0h s SER 87 Cb 0.06 -2.52 0.62 0.00 0.10 0.00 0.00 66.02 64.28 1h0h s SER 87 CO -0.05 -1.31 1.93 -0.50 0.98 0.00 0.00 173.24 174.29 1h0h h TRP 88 N -0.11 0.65 -0.32 5.02 4.06 -1.99 -1.88 115.95 121.39 1h0h h TRP 88 Ca -0.45 -0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.37 1h0h h TRP 88 Cb 1.22 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 29.17 1h0h h TRP 88 CO 0.60 0.52 -0.18 -0.44 -3.56 0.00 0.00 178.44 175.38 1h0h h ASP 89 N 0.64 0.71 -0.43 -3.49 3.32 -1.99 -0.17 116.42 115.01 1h0h h ASP 89 Ca 0.15 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.81 1h0h h ASP 89 Cb 0.16 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1h0h h ASP 89 CO -0.01 0.98 0.24 -0.25 -1.72 0.00 0.00 179.24 178.47 1h0h h TRP 90 N 0.45 0.44 -0.00 4.55 7.01 -1.89 -1.11 115.95 125.38 1h0h h TRP 90 Ca 0.07 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1h0h h TRP 90 Cb 0.72 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1h0h h TRP 90 CO 0.06 0.24 -0.00 0.52 -2.79 0.00 0.00 178.44 176.47 1h0h h MET 91 N 0.47 0.01 -0.65 2.65 2.86 -1.09 -0.69 114.93 118.49 1h0h h MET 91 Ca 0.18 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1h0h h MET 91 Cb 0.05 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1h0h h MET 91 CO -0.10 0.32 0.34 -0.07 1.06 0.00 0.00 176.91 178.47 1h0h h LEU 92 N -0.31 0.82 -0.63 1.22 3.38 -1.00 0.59 115.31 119.38 1h0h h LEU 92 Ca 0.00 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1h0h h LEU 92 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1h0h h LEU 92 CO 0.00 0.69 -0.29 0.44 0.09 0.00 0.00 178.44 179.37 1h0h h ASP 93 N 0.89 0.79 -0.13 -0.43 3.32 -1.21 -1.41 116.42 118.24 1h0h h ASP 93 Ca 0.23 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1h0h h ASP 93 Cb 0.06 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1h0h h ASP 93 CO -0.03 1.03 -0.02 0.74 -1.72 0.00 0.00 179.24 179.24 1h0h h THR 94 N 0.65 1.27 -0.83 0.35 2.02 -0.84 -1.49 112.91 114.04 1h0h h THR 94 Ca 0.08 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.42 1h0h h THR 94 Cb 0.82 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 1h0h h THR 94 CO 0.07 0.26 0.51 0.40 0.37 0.00 0.00 175.52 177.13 1h0h h ILE 95 N -0.05 1.04 -0.96 3.11 2.04 -0.89 -0.64 117.51 121.16 1h0h h ILE 95 Ca 0.03 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1h0h h ILE 95 Cb 0.41 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 1h0h h ILE 95 CO 0.01 0.17 0.63 0.00 0.00 0.00 0.00 178.15 178.96 1h0h h ALA 96 N 1.39 1.26 -0.24 1.87 0.00 -0.97 0.02 119.26 122.59 1h0h h ALA 96 Ca 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1h0h h ALA 96 Cb 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1h0h h ALA 96 CO -0.17 0.54 0.06 1.49 0.00 0.00 0.00 179.25 181.18 1h0h h GLU 97 N 1.25 0.38 -0.65 0.00 4.57 -0.32 -1.24 114.58 118.57 1h0h h GLU 97 Ca 0.37 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1h0h h GLU 97 Cb -0.05 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1h0h h GLU 97 CO -0.11 0.49 0.39 0.00 -1.18 0.00 0.00 179.01 178.60 1h0h h ARG 98 N 0.20 0.74 -0.33 1.92 2.47 -0.58 -0.35 114.38 118.45 1h0h h ARG 98 Ca 0.07 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1h0h h ARG 98 Cb 0.28 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1h0h h ARG 98 CO 0.00 0.49 0.12 0.28 0.56 0.00 0.00 179.97 181.42 1h0h h VAL 99 N 0.77 1.19 -0.30 2.04 2.07 -0.89 0.18 116.25 121.30 1h0h h VAL 99 Ca 0.27 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1h0h h VAL 99 Cb 0.05 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1h0h h VAL 99 CO -0.12 0.21 0.09 0.00 0.02 0.00 0.00 177.57 177.77 1h0h h ALA 100 N 0.96 0.40 -0.18 1.67 0.00 -0.84 0.22 119.26 121.50 1h0h h ALA 100 Ca 0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1h0h h ALA 100 Cb 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h0h h ALA 100 CO -0.01 0.04 -0.19 0.87 0.00 0.00 0.00 179.25 179.96 1h0h h LYS 101 N 0.33 0.45 -0.50 0.00 1.79 -0.96 -1.92 116.57 115.76 1h0h h LYS 101 Ca 0.10 -0.24 -0.12 0.00 -2.18 0.00 0.00 60.65 58.20 1h0h h LYS 101 Cb 0.26 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1h0h h LYS 101 CO -0.00 0.81 -0.16 1.15 -1.08 0.00 0.00 179.45 180.17 1h0h h THR 102 N 0.10 1.27 -0.08 -0.16 2.02 -0.98 -0.69 112.91 114.38 1h0h h THR 102 Ca 0.03 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 65.91 1h0h h THR 102 Cb 0.74 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1h0h h THR 102 CO 0.05 0.46 -0.09 -0.09 0.37 0.00 0.00 175.52 176.22 1h0h h ARG 103 N 0.86 -0.11 -0.46 6.66 2.43 -0.94 -2.12 114.38 120.70 1h0h h ARG 103 Ca 0.12 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1h0h h ARG 103 Cb 0.73 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1h0h h ARG 103 CO 0.06 -0.07 0.30 1.49 -1.51 0.00 0.00 179.97 180.23 1h0h h GLU 104 N -0.11 0.58 0.00 0.20 4.57 -0.98 -1.21 114.58 117.62 1h0h h GLU 104 Ca 0.06 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1h0h h GLU 104 Cb 0.20 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1h0h h GLU 104 CO -0.15 0.39 -0.11 0.00 -1.18 0.00 0.00 179.01 177.96 1h0h h ALA 105 N 1.17 1.57 -0.19 2.92 0.00 -0.88 -3.03 119.26 120.82 1h0h h ALA 105 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h0h h ALA 105 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1h0h h ALA 105 CO -0.05 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1h0h n THR 106 N -4.05 1.69 -3.25 0.00 -2.24 -0.82 -5.01 114.28 100.60 1h0h n THR 106 Ca -0.02 -1.61 -0.38 0.00 -2.27 0.00 0.00 64.05 59.76 1h0h n THR 106 Cb 0.20 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1h0h n THR 106 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1h0h s PHE 107 N -2.11 3.60 -0.22 4.78 5.36 -0.52 -1.72 117.98 127.16 1h0h s PHE 107 Ca 0.29 1.06 -0.05 0.00 -0.96 0.00 0.00 56.93 57.28 1h0h s PHE 107 Cb 0.22 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1h0h s PHE 107 CO 0.08 0.27 -0.01 0.08 -1.46 0.00 0.00 175.22 174.18 1h0h s VAL 108 N 0.20 3.69 0.00 3.12 1.01 -0.05 -4.99 120.40 123.38 1h0h s VAL 108 Ca 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1h0h s VAL 108 Cb -0.17 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1h0h s VAL 108 CO 0.14 0.41 0.00 0.35 0.00 0.00 0.00 175.10 176.00 1h0h n THR 109 N 4.69 0.00 -3.97 3.92 -2.24 -1.26 -1.21 114.28 114.21 1h0h n THR 109 Ca -0.17 0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 61.73 1h0h n THR 109 Cb 0.51 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.22 1h0h n THR 109 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1h0h s LYS 110 N -0.94 3.92 0.97 -0.78 1.02 -1.26 -0.36 119.74 122.31 1h0h s LYS 110 Ca 0.00 -0.37 -0.17 0.00 0.02 0.00 0.00 55.97 55.46 1h0h s LYS 110 Cb 0.00 -3.24 0.23 0.00 -0.52 0.00 0.00 37.83 34.30 1h0h s LYS 110 CO 0.00 0.19 1.21 0.27 -0.92 0.00 0.00 175.35 176.10 1h0h n ASN 111 N 3.80 -0.34 0.26 2.83 0.23 -0.17 -4.87 115.26 116.99 1h0h n ASN 111 Ca -0.16 -1.39 0.11 0.00 -0.53 0.00 0.00 54.58 52.61 1h0h n ASN 111 Cb 0.52 -0.96 0.71 0.00 -2.08 0.00 0.00 39.78 37.97 1h0h n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h0h h ALA 112 N -1.99 1.44 -0.05 -2.53 0.00 -2.00 -0.82 119.26 113.31 1h0h h ALA 112 Ca -0.40 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1h0h h ALA 112 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1h0h h ALA 112 CO 0.28 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.30 1h0h n LYS 113 N -3.86 1.26 -0.85 0.00 5.02 -1.26 -4.90 118.16 113.58 1h0h n LYS 113 Ca -0.02 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 1h0h n LYS 113 Cb 0.21 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1h0h n LYS 113 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h0h n GLY 114 N 0.94 0.54 3.79 0.72 0.00 -0.31 -5.04 105.19 105.83 1h0h n GLY 114 Ca 0.16 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1h0h n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h0h s GLN 115 N -0.70 4.05 -0.20 1.61 -0.21 -1.26 -4.82 119.66 118.13 1h0h s GLN 115 Ca 0.00 0.35 -0.29 0.00 0.02 0.00 0.00 55.36 55.44 1h0h s GLN 115 Cb 0.00 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.69 1h0h s GLN 115 CO 0.00 0.50 1.40 0.08 -2.12 0.00 0.00 175.29 175.16 1h0h s VAL 116 N -0.45 4.02 0.00 1.09 1.01 -1.26 -1.00 120.40 123.81 1h0h s VAL 116 Ca 0.23 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1h0h s VAL 116 Cb -0.16 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1h0h s VAL 116 CO 0.11 -0.26 0.00 1.33 0.00 0.00 0.00 175.10 176.28 1h0h n VAL 117 N 5.85 0.00 -3.98 2.92 0.24 0.51 -4.86 118.33 119.00 1h0h n VAL 117 Ca 0.16 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.05 1h0h n VAL 117 Cb 0.45 -0.17 0.02 0.00 -1.47 0.00 0.00 33.84 32.66 1h0h n VAL 117 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1h0h n ASN 118 N -1.70 -3.89 -4.09 -1.34 3.02 -0.88 -0.53 115.26 105.85 1h0h n ASN 118 Ca 0.00 -1.21 -0.22 0.00 -0.03 0.00 0.00 54.58 53.12 1h0h n ASN 118 Cb 0.22 -2.19 -0.15 0.00 -0.61 0.00 0.00 39.78 37.05 1h0h n ASN 118 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1h0h s ARG 119 N -7.01 1.15 -0.28 3.52 3.52 -0.35 -3.97 118.95 115.52 1h0h s ARG 119 Ca 0.43 -0.48 -0.18 0.00 -0.13 0.00 0.00 55.73 55.38 1h0h s ARG 119 Cb -0.21 -1.09 -0.02 0.00 -1.56 0.00 0.00 34.95 32.06 1h0h s ARG 119 CO 0.94 0.27 0.50 0.00 -0.81 0.00 0.00 175.30 176.20 1h0h n ASP 121 N 5.58 0.98 -0.58 0.00 8.00 -0.70 -4.35 116.55 125.47 1h0h n ASP 121 Ca -0.05 -0.78 0.09 0.00 0.71 0.00 0.00 54.79 54.75 1h0h n ASP 121 Cb 0.50 0.46 0.05 0.00 -0.02 0.00 0.00 41.12 42.10 1h0h n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h0h n GLY 122 N 1.45 0.20 3.27 0.44 0.00 -1.26 -4.69 105.19 104.60 1h0h n GLY 122 Ca 0.07 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1h0h n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h0h s ILE 123 N -1.65 1.92 0.17 -0.61 1.01 -1.26 0.81 121.20 121.59 1h0h s ILE 123 Ca 0.18 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1h0h s ILE 123 Cb 0.14 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1h0h s ILE 123 CO 0.29 0.54 -0.07 0.00 0.00 0.00 0.00 174.94 175.71 1h0h s ALA 124 N -0.42 1.49 -0.05 9.38 0.00 -0.50 -4.59 121.76 127.07 1h0h s ALA 124 Ca 0.05 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 1h0h s ALA 124 Cb -0.11 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1h0h s ALA 124 CO 0.01 -0.17 0.11 0.45 0.00 0.00 0.00 175.76 176.16 1h0h s SER 125 N -3.19 -0.09 -0.03 0.00 0.15 -0.33 -0.65 113.70 109.56 1h0h s SER 125 Ca 0.20 0.22 0.07 0.00 0.70 0.00 0.00 55.95 57.14 1h0h s SER 125 Cb 0.04 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1h0h s SER 125 CO 0.02 -0.08 -0.25 0.68 1.20 0.00 0.00 173.24 174.82 1h0h s VAL 126 N 0.53 1.96 0.00 4.45 -7.23 -0.20 -1.46 120.40 118.46 1h0h s VAL 126 Ca -0.04 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1h0h s VAL 126 Cb -0.06 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1h0h s VAL 126 CO -0.02 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 1h0h n GLY 127 N 2.66 3.47 3.63 2.32 0.00 -0.15 -0.57 105.19 116.54 1h0h n GLY 127 Ca -0.16 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 1h0h n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h0h s SER 128 N 0.00 -0.67 0.14 1.61 0.15 -1.25 -4.80 113.70 108.87 1h0h s SER 128 Ca 0.00 1.28 0.12 0.00 0.70 0.00 0.00 55.95 58.05 1h0h s SER 128 Cb 0.00 1.29 0.60 0.00 -1.71 0.00 0.00 66.02 66.21 1h0h s SER 128 CO 0.00 -0.22 1.38 0.00 1.20 0.00 0.00 173.24 175.60 1h0h n ALA 129 N 2.70 1.21 0.36 5.45 0.00 -1.26 -2.08 120.51 126.90 1h0h n ALA 129 Ca -0.14 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1h0h n ALA 129 Cb 0.56 -1.19 0.46 0.00 0.00 0.00 0.00 19.45 19.28 1h0h n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0h h ALA 130 N 2.12 1.00 -2.29 0.00 0.00 -1.88 -3.23 119.26 114.98 1h0h h ALA 130 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1h0h h ALA 130 Cb 0.09 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1h0h h ALA 130 CO 0.00 0.00 0.24 -1.64 0.00 0.00 0.00 179.25 177.85 1h0h s MET 131 N -3.36 3.75 0.78 0.00 1.00 -0.88 -4.98 119.30 115.61 1h0h s MET 131 Ca 0.05 0.61 -0.10 0.00 0.00 0.00 0.00 55.69 56.24 1h0h s MET 131 Cb 0.09 -2.26 0.06 0.00 0.00 0.00 0.00 34.83 32.72 1h0h s MET 131 CO 0.55 -0.23 1.10 -0.51 0.00 0.00 0.00 175.02 175.92 1h0h s ASP 132 N -3.50 4.37 0.25 3.03 1.01 -1.26 -4.76 116.67 115.81 1h0h s ASP 132 Ca 0.53 1.86 -0.02 0.00 0.71 0.00 0.00 52.55 55.63 1h0h s ASP 132 Cb -0.10 -2.53 0.50 0.00 1.01 0.00 0.00 42.92 41.80 1h0h s ASP 132 CO 0.38 -2.13 1.75 0.78 0.21 0.00 0.00 175.17 176.17 1h0h h ASN 133 N -1.19 0.46 0.44 0.27 2.35 -0.79 0.87 115.58 117.99 1h0h h ASN 133 Ca -0.43 0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.27 1h0h h ASN 133 Cb 1.23 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1h0h h ASN 133 CO 0.50 0.19 -0.58 -0.33 -1.65 0.00 0.00 177.43 175.56 1h0h h GLU 134 N 0.57 0.15 -0.19 0.81 3.07 -1.92 -1.28 114.58 115.79 1h0h h GLU 134 Ca 0.44 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 59.07 1h0h h GLU 134 Cb 0.62 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1h0h h GLU 134 CO -0.36 0.69 -0.38 0.93 -1.40 0.00 0.00 179.01 178.49 1h0h h GLU 135 N 0.11 0.59 -0.74 2.33 5.08 -1.70 -2.85 114.58 117.40 1h0h h GLU 135 Ca -0.00 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1h0h h GLU 135 Cb 1.06 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1h0h h GLU 135 CO 0.08 1.00 0.47 0.00 -1.00 0.00 0.00 179.01 179.56 1h0h h TRP 137 N 0.90 0.44 0.00 0.00 7.01 -1.29 -1.61 115.95 121.40 1h0h h TRP 137 Ca 0.30 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 61.14 1h0h h TRP 137 Cb 0.04 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1h0h h TRP 137 CO -0.04 0.68 -0.27 -0.84 -2.79 0.00 0.00 178.44 175.19 1h0h h ILE 138 N 0.06 0.77 -0.06 2.65 3.07 -1.42 -1.77 117.51 120.82 1h0h h ILE 138 Ca 0.04 -1.11 -0.01 0.00 1.55 0.00 0.00 64.86 65.33 1h0h h ILE 138 Cb 0.57 1.69 -0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1h0h h ILE 138 CO 0.03 0.26 0.00 0.22 -1.05 0.00 0.00 178.15 177.61 1h0h h TYR 139 N 0.00 0.11 -0.38 0.16 3.20 -0.70 0.14 116.97 119.51 1h0h h TYR 139 Ca -0.00 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 1h0h h TYR 139 Cb 0.67 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1h0h h TYR 139 CO 0.00 0.37 -0.08 -0.56 -1.64 0.00 0.00 178.16 176.25 1h0h h GLN 140 N -0.19 0.64 -0.08 1.82 -0.00 -1.19 -0.88 115.11 115.22 1h0h h GLN 140 Ca 0.02 -0.18 -0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1h0h h GLN 140 Cb 0.33 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 27.74 1h0h h GLN 140 CO 0.00 0.72 0.05 0.00 -0.00 0.00 0.00 178.83 179.59 1h0h h ALA 141 N 1.32 0.10 0.09 0.06 0.00 -1.11 -0.36 119.26 119.36 1h0h h ALA 141 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1h0h h ALA 141 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1h0h h ALA 141 CO 0.03 -0.39 -0.16 2.35 0.00 0.00 0.00 179.25 181.07 1h0h h TRP 142 N 0.07 -0.42 -0.95 0.00 7.01 -0.69 -1.31 115.95 119.66 1h0h h TRP 142 Ca 0.03 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.06 1h0h h TRP 142 Cb 0.03 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1h0h h TRP 142 CO -0.06 -0.24 0.62 -0.07 -2.79 0.00 0.00 178.44 175.90 1h0h h LEU 143 N -0.32 1.05 -0.75 0.65 3.38 -1.01 -1.84 115.31 116.48 1h0h h LEU 143 Ca 0.03 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1h0h h LEU 143 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1h0h h LEU 143 CO -0.09 0.74 -0.37 0.03 0.09 0.00 0.00 178.44 178.83 1h0h h ARG 144 N 1.23 0.52 0.00 1.13 3.08 -0.92 -1.75 114.38 117.67 1h0h h ARG 144 Ca 0.36 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1h0h h ARG 144 Cb -0.06 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1h0h h ARG 144 CO -0.10 0.81 -0.15 0.66 -1.07 0.00 0.00 179.97 180.12 1h0h h SER 145 N 0.43 0.00 1.09 7.04 4.64 -0.49 0.16 113.55 126.42 1h0h h SER 145 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1h0h h SER 145 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1h0h h SER 145 CO 0.07 0.15 0.00 0.18 -0.87 0.00 0.00 176.83 176.36 1h0h n LEU 146 N -3.93 0.19 0.00 5.97 4.77 -0.76 -3.31 117.00 119.93 1h0h n LEU 146 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1h0h n LEU 146 Cb 0.24 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1h0h n LEU 146 CO 0.33 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1h0h n GLY 147 N 1.40 0.77 3.77 -0.72 0.00 0.56 -4.50 105.19 106.46 1h0h n GLY 147 Ca 0.07 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1h0h n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0h s LEU 148 N 0.00 4.26 0.00 0.99 1.02 -0.72 0.35 118.68 124.59 1h0h s LEU 148 Ca 0.00 2.54 0.00 0.00 0.02 0.00 0.00 54.13 56.69 1h0h s LEU 148 Cb 0.00 -3.89 0.00 0.00 0.02 0.00 0.00 46.19 42.32 1h0h s LEU 148 CO 0.00 -0.71 0.00 0.33 0.02 0.00 0.00 176.35 175.99 1h0h n PHE 149 N 0.27 0.00 -2.37 0.29 7.35 -1.26 -4.57 117.46 117.16 1h0h n PHE 149 Ca 0.03 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.36 1h0h n PHE 149 Cb 0.44 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.24 1h0h n PHE 149 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1h0h s TYR 150 N -1.93 2.31 -0.20 -5.13 2.02 -1.26 -4.56 117.35 108.60 1h0h s TYR 150 Ca 0.00 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1h0h s TYR 150 Cb 0.00 -4.46 0.06 0.00 -0.40 0.00 0.00 41.96 37.16 1h0h s TYR 150 CO 0.00 -1.80 0.05 0.42 -1.57 0.00 0.00 175.55 172.65 1h0h s ILE 151 N 6.85 0.38 0.24 2.71 1.01 -1.26 -1.18 121.20 129.94 1h0h s ILE 151 Ca 0.56 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1h0h s ILE 151 Cb -0.01 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1h0h s ILE 151 CO -0.03 -0.26 0.13 -1.61 0.00 0.00 0.00 174.94 173.18 1h0h s GLU 152 N 1.92 1.35 0.00 2.79 0.41 -0.54 -0.65 118.70 123.98 1h0h s GLU 152 Ca 0.00 -1.73 -0.00 0.00 -0.41 0.00 0.00 54.97 52.83 1h0h s GLU 152 Cb -0.17 0.07 0.00 0.00 -1.78 0.00 0.00 34.13 32.26 1h0h s GLU 152 CO -0.10 -0.39 0.01 -2.39 -0.49 0.00 0.00 175.26 171.90 1h0h n HIS 153 N -0.39 -0.83 -0.30 1.61 1.44 -1.07 -0.98 115.22 114.70 1h0h n HIS 153 Ca 0.02 -0.01 -0.03 0.00 -2.01 0.00 0.00 57.72 55.69 1h0h n HIS 153 Cb 0.66 0.01 -0.00 0.00 0.12 0.00 0.00 29.99 30.77 1h0h n HIS 153 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1h0h n GLN 154 N -0.00 -0.23 0.04 -1.40 3.00 -1.26 -2.00 117.38 115.53 1h0h n GLN 154 Ca -0.00 1.16 0.21 0.00 -0.01 0.00 0.00 57.00 58.36 1h0h n GLN 154 Cb 0.00 -1.72 0.62 0.00 0.00 0.00 0.00 30.24 29.15 1h0h n GLN 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1h0h h ALA 155 N 0.84 2.29 -0.23 -1.58 0.00 -1.93 0.30 119.26 118.94 1h0h h ALA 155 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1h0h h ALA 155 Cb 0.41 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1h0h h ALA 155 CO -0.74 -0.98 -0.14 -0.09 0.00 0.00 0.00 179.25 177.30 1h0h h ARG 156 N 0.00 0.38 0.00 0.00 9.65 -1.78 -1.77 114.38 120.86 1h0h h ARG 156 Ca 0.26 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1h0h h ARG 156 Cb 1.65 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.19 1h0h h ARG 156 CO -0.00 0.53 0.00 -0.89 2.80 0.00 0.00 179.97 182.41 1h0h n ILE 157 N -4.22 0.03 0.00 1.20 5.41 0.09 -3.92 119.36 117.95 1h0h n ILE 157 Ca 0.00 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1h0h n ILE 157 Cb 0.31 -0.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 1h0h n ILE 157 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1h0h n HIS 159 N -1.10 0.00 -0.15 1.39 8.25 -0.70 -4.78 115.22 118.13 1h0h n HIS 159 Ca 0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.64 1h0h n HIS 159 Cb 0.15 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.48 1h0h n HIS 159 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h0h h SER 160 N 0.00 0.78 -0.48 0.41 4.64 -1.59 -0.61 113.55 116.70 1h0h h SER 160 Ca 0.00 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1h0h h SER 160 Cb 0.13 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1h0h h SER 160 CO 0.00 0.69 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 1h0h h ALA 161 N 1.43 0.64 -0.22 5.18 0.00 -1.89 -2.32 119.26 122.08 1h0h h ALA 161 Ca 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h0h h ALA 161 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1h0h h ALA 161 CO -0.02 0.45 0.12 1.15 0.00 0.00 0.00 179.25 180.95 1h0h h THR 162 N 0.70 1.11 -0.27 0.00 2.02 -1.82 0.76 112.91 115.41 1h0h h THR 162 Ca 0.14 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1h0h h THR 162 Cb 0.51 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1h0h h THR 162 CO 0.02 0.11 0.12 0.58 0.37 0.00 0.00 175.52 176.72 1h0h h VAL 163 N 0.25 0.96 -0.18 3.16 2.07 -1.05 0.10 116.25 121.58 1h0h h VAL 163 Ca 0.08 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1h0h h VAL 163 Cb 0.07 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1h0h h VAL 163 CO -0.01 0.05 0.12 0.00 0.02 0.00 0.00 177.57 177.74 1h0h h ALA 164 N 1.15 0.22 -0.14 1.67 0.00 -1.17 -0.04 119.26 120.95 1h0h h ALA 164 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1h0h h ALA 164 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h0h h ALA 164 CO -0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 179.25 178.81 1h0h h ALA 165 N 1.07 0.19 -0.00 0.00 0.00 -0.57 -2.74 119.26 117.20 1h0h h ALA 165 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1h0h h ALA 165 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1h0h h ALA 165 CO -0.02 -0.04 -0.75 -0.07 0.00 0.00 0.00 179.25 178.37 1h0h h LEU 166 N -0.04 0.04 -0.78 0.00 3.38 -0.75 -2.32 115.31 114.84 1h0h h LEU 166 Ca 0.03 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1h0h h LEU 166 Cb 0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1h0h h LEU 166 CO 0.02 0.77 -0.13 0.00 0.09 0.00 0.00 178.44 179.19 1h0h h ALA 167 N 1.22 0.97 -0.24 1.53 0.00 -0.79 0.34 119.26 122.29 1h0h h ALA 167 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1h0h h ALA 167 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1h0h h ALA 167 CO 0.10 0.61 0.13 1.49 0.00 0.00 0.00 179.25 181.58 1h0h h GLU 168 N 0.71 0.33 -0.02 0.00 4.57 -1.29 -0.39 114.58 118.49 1h0h h GLU 168 Ca 0.12 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 1h0h h GLU 168 Cb 0.62 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1h0h h GLU 168 CO 0.04 0.29 -0.11 0.77 -1.18 0.00 0.00 179.01 178.82 1h0h h SER 169 N 0.28 0.12 0.00 1.04 0.02 -1.06 -3.39 113.55 110.57 1h0h h SER 169 Ca 0.08 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1h0h h SER 169 Cb 0.06 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1h0h h SER 169 CO -0.01 0.80 -1.14 -1.22 -1.14 0.00 0.00 176.83 174.11 1h0h n TYR 170 N -4.65 0.00 0.00 3.45 4.01 0.12 -0.55 117.16 119.54 1h0h n TYR 170 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1h0h n TYR 170 Cb 0.40 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1h0h n TYR 170 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h0h n GLY 171 N 2.07 2.45 3.15 2.72 0.00 -0.16 -4.57 105.19 110.84 1h0h n GLY 171 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1h0h n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0h s ARG 172 N -0.53 0.77 0.00 1.61 0.52 -1.26 -4.82 118.95 115.24 1h0h s ARG 172 Ca 0.00 -1.17 0.27 0.00 -0.52 0.00 0.00 55.73 54.30 1h0h s ARG 172 Cb 0.00 -0.29 0.81 0.00 0.52 0.00 0.00 34.95 35.99 1h0h s ARG 172 CO 0.00 0.02 1.60 0.41 0.02 0.00 0.00 175.30 177.35 1h0h n GLY 173 N 0.40 -0.06 3.85 -3.53 0.00 -1.26 -2.73 105.19 101.86 1h0h n GLY 173 Ca -0.15 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1h0h n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0h s ALA 174 N -2.17 2.99 0.11 4.61 0.00 -1.26 -4.45 121.76 121.59 1h0h s ALA 174 Ca 0.32 0.05 -0.35 0.00 0.00 0.00 0.00 51.96 51.98 1h0h s ALA 174 Cb 0.20 -3.12 -0.15 0.00 0.00 0.00 0.00 23.12 20.06 1h0h s ALA 174 CO 0.40 -0.68 1.54 -0.12 0.00 0.00 0.00 175.76 176.90 1h0h n MET 175 N -2.47 1.84 0.10 0.00 0.00 -1.26 -4.87 117.12 110.46 1h0h n MET 175 Ca 0.07 0.67 -0.03 0.00 -0.00 0.00 0.00 57.70 58.40 1h0h n MET 175 Cb 0.54 -2.40 -0.04 0.00 0.00 0.00 0.00 33.22 31.31 1h0h n MET 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1h0h h THR 176 N 3.74 1.37 -0.40 1.12 1.35 -1.81 -3.47 112.91 114.80 1h0h h THR 176 Ca -0.46 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.52 1h0h h THR 176 Cb 1.28 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1h0h h THR 176 CO 0.86 0.77 0.00 0.59 -0.25 0.00 0.00 175.52 177.49 1h0h n ASN 177 N -3.33 0.00 -3.87 5.36 4.13 -1.26 -1.88 115.26 114.41 1h0h n ASN 177 Ca 0.01 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.19 1h0h n ASN 177 Cb 0.84 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 39.05 1h0h n ASN 177 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1h0h s HIS 178 N 3.35 -0.04 0.11 3.10 -3.43 -1.26 -4.62 115.29 112.50 1h0h s HIS 178 Ca 0.00 -0.37 -0.24 0.00 -0.80 0.00 0.00 55.06 53.65 1h0h s HIS 178 Cb 0.00 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.58 1h0h s HIS 178 CO 0.00 -1.12 1.69 -1.49 -2.00 0.00 0.00 174.74 171.82 1h0h h TRP 179 N 2.09 -0.27 -0.23 0.38 4.06 -1.95 -2.49 115.95 117.54 1h0h h TRP 179 Ca -0.23 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.70 1h0h h TRP 179 Cb 1.25 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.52 1h0h h TRP 179 CO 0.40 -0.16 0.02 0.82 -3.56 0.00 0.00 178.44 175.97 1h0h h ILE 180 N -0.19 1.13 -0.03 1.49 2.04 -1.94 -2.15 117.51 117.86 1h0h h ILE 180 Ca 0.03 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1h0h h ILE 180 Cb 0.23 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1h0h h ILE 180 CO -0.09 0.17 0.10 -0.78 0.00 0.00 0.00 178.15 177.55 1h0h h ASP 181 N 0.33 0.00 -0.20 1.72 3.58 -1.67 -2.16 116.42 118.03 1h0h h ASP 181 Ca 0.08 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.59 1h0h h ASP 181 Cb 0.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1h0h h ASP 181 CO 0.00 0.00 0.18 -0.07 -2.88 0.00 0.00 179.24 176.47 1h0h h LEU 182 N 0.00 0.00 -1.99 2.28 3.38 -1.43 -0.16 115.31 117.39 1h0h h LEU 182 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1h0h h LEU 182 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1h0h h LEU 182 CO -0.00 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.60 1h0h h LYS 183 N 0.00 0.00 -0.01 1.13 2.10 -1.45 -2.45 116.57 115.88 1h0h h LYS 183 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1h0h h LYS 183 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1h0h h LYS 183 CO -0.00 0.00 -0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1h0h n ASN 184 N -2.89 1.31 -4.76 7.07 3.02 -0.07 -4.06 115.26 114.88 1h0h n ASN 184 Ca -0.01 -1.43 -0.39 0.00 -0.03 0.00 0.00 54.58 52.72 1h0h n ASN 184 Cb 0.17 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1h0h n ASN 184 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1h0h s SER 185 N -2.00 7.48 -0.03 6.41 0.15 -0.92 -4.26 113.70 120.52 1h0h s SER 185 Ca 0.39 1.92 0.11 0.00 0.70 0.00 0.00 55.95 59.07 1h0h s SER 185 Cb 0.21 -2.60 -0.23 0.00 -1.71 0.00 0.00 66.02 61.69 1h0h s SER 185 CO 0.34 0.03 0.70 0.44 1.20 0.00 0.00 173.24 175.95 1h0h h ASP 186 N 3.69 0.04 -3.38 5.45 3.32 -0.85 -3.42 116.42 121.26 1h0h h ASP 186 Ca -0.46 -0.08 -0.29 0.00 0.02 0.00 0.00 57.03 56.23 1h0h h ASP 186 Cb 1.20 -0.01 -0.34 0.00 0.22 0.00 0.00 39.33 40.39 1h0h h ASP 186 CO 0.67 1.07 -0.67 -0.69 -1.72 0.00 0.00 179.24 177.89 1h0h s VAL 187 N -2.60 -0.10 -0.29 -1.35 1.01 -1.13 -2.01 120.40 113.92 1h0h s VAL 187 Ca -0.05 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1h0h s VAL 187 Cb 0.08 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.30 1h0h s VAL 187 CO 0.82 0.11 0.02 -0.63 0.00 0.00 0.00 175.10 175.42 1h0h s ILE 188 N 1.51 3.32 -0.37 2.22 1.01 -0.39 -1.26 121.20 127.24 1h0h s ILE 188 Ca -0.05 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 1h0h s ILE 188 Cb -0.12 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1h0h s ILE 188 CO -0.05 0.03 0.25 -0.22 0.00 0.00 0.00 174.94 174.96 1h0h s LEU 189 N 1.36 4.73 -0.42 2.97 2.96 -0.15 -1.14 118.68 129.00 1h0h s LEU 189 Ca -0.01 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.11 1h0h s LEU 189 Cb -0.18 -2.13 0.04 0.00 0.50 0.00 0.00 46.19 44.43 1h0h s LEU 189 CO -0.01 -0.33 0.29 -0.04 -1.32 0.00 0.00 176.35 174.94 1h0h s MET 190 N 1.68 2.87 -0.05 1.98 -1.94 0.98 -0.96 119.30 123.87 1h0h s MET 190 Ca 0.05 -1.19 -0.02 0.00 -1.71 0.00 0.00 55.69 52.82 1h0h s MET 190 Cb -0.18 -3.91 0.03 0.00 2.01 0.00 0.00 34.83 32.78 1h0h s MET 190 CO 0.10 -0.83 0.07 1.41 -0.01 0.00 0.00 175.02 175.76 1h0h s MET 191 N 1.59 -0.06 -0.49 2.03 0.00 -0.89 -1.18 119.30 120.31 1h0h s MET 191 Ca 0.03 0.39 -0.00 0.00 0.00 0.00 0.00 55.69 56.11 1h0h s MET 191 Cb -0.21 -0.45 0.00 0.00 0.00 0.00 0.00 34.83 34.17 1h0h s MET 191 CO 0.07 -0.31 0.05 0.41 0.00 0.00 0.00 175.02 175.24 1h0h n GLY 192 N 5.19 0.18 3.60 2.11 0.00 -1.22 -4.38 105.19 110.67 1h0h n GLY 192 Ca -0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1h0h n GLY 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h0h s SER 193 N -2.78 -0.19 -0.41 1.61 1.04 -1.26 -1.49 113.70 110.22 1h0h s SER 193 Ca 0.02 -0.67 0.09 0.00 0.48 0.00 0.00 55.95 55.87 1h0h s SER 193 Cb -0.01 0.60 0.31 0.00 0.10 0.00 0.00 66.02 67.03 1h0h s SER 193 CO 0.03 -1.13 0.83 -3.20 0.98 0.00 0.00 173.24 170.75 1h0h n ASN 194 N -0.37 -0.60 0.22 7.02 5.15 -1.26 -4.95 115.26 120.47 1h0h n ASN 194 Ca -0.06 -3.20 0.14 0.00 -0.60 0.00 0.00 54.58 50.86 1h0h n ASN 194 Cb 0.62 0.39 0.77 0.00 -0.53 0.00 0.00 39.78 41.03 1h0h n ASN 194 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1h0h h PRO 195 N 3.25 0.00 0.00 1.20 0.11 -1.94 -0.05 132.00 134.57 1h0h h PRO 195 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1h0h h PRO 195 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1h0h h PRO 195 CO 0.37 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 177.98 1h0h h ALA 196 N 1.91 1.28 0.00 -0.75 0.00 -1.88 -0.07 119.26 119.75 1h0h h ALA 196 Ca 0.05 -0.16 -0.38 0.00 0.00 0.00 0.00 54.91 54.42 1h0h h ALA 196 Cb 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1h0h h ALA 196 CO -0.00 0.22 -2.42 0.39 0.00 0.00 0.00 179.25 177.44 1h0h n GLU 197 N -3.70 0.67 -0.00 0.00 1.02 -0.22 -4.20 120.64 114.21 1h0h n GLU 197 Ca -0.02 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1h0h n GLU 197 Cb 0.29 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 1h0h n GLU 197 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1h0h n ASN 198 N -3.03 0.53 -2.91 1.62 3.02 -0.20 -4.11 115.26 110.17 1h0h n ASN 198 Ca -0.40 -0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 53.51 1h0h n ASN 198 Cb 1.07 1.48 0.02 0.00 -0.61 0.00 0.00 39.78 41.73 1h0h n ASN 198 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1h0h n HIS 199 N -1.86 0.05 -0.25 3.10 8.25 -0.07 -4.86 115.22 119.58 1h0h n HIS 199 Ca 0.00 -3.13 0.06 0.00 -0.26 0.00 0.00 57.72 54.39 1h0h n HIS 199 Cb 0.44 -0.06 0.19 0.00 1.12 0.00 0.00 29.99 31.69 1h0h n HIS 199 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1h0h h PRO 200 N 2.92 0.29 0.00 -0.41 0.11 -1.65 0.14 132.00 133.40 1h0h h PRO 200 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1h0h h PRO 200 Cb 1.09 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1h0h h PRO 200 CO 0.42 0.19 0.00 0.82 -0.21 0.00 0.00 178.00 179.22 1h0h h ILE 201 N 0.30 0.00 -0.51 4.15 5.03 -1.90 -0.12 117.51 124.46 1h0h h ILE 201 Ca 0.43 -0.26 0.15 0.00 -0.12 0.00 0.00 64.86 65.06 1h0h h ILE 201 Cb 0.73 1.13 -0.02 0.00 -3.03 0.00 0.00 36.82 35.63 1h0h h ILE 201 CO -0.50 0.00 0.38 0.77 -0.68 0.00 0.00 178.15 178.11 1h0h h SER 202 N 0.00 0.00 0.65 1.72 4.64 -1.03 -0.63 113.55 118.91 1h0h h SER 202 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h0h h SER 202 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1h0h h SER 202 CO 0.00 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.70 1h0h h PHE 203 N 0.00 0.00 -0.63 4.77 -1.00 -1.16 -0.94 116.94 117.97 1h0h h PHE 203 Ca 0.24 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.03 1h0h h PHE 203 Cb 0.99 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.52 1h0h h PHE 203 CO 0.00 0.00 0.42 -0.22 -1.61 0.00 0.00 178.31 176.90 1h0h h LYS 204 N 0.00 0.82 0.18 1.51 3.64 -1.29 -0.86 116.57 120.57 1h0h h LYS 204 Ca 0.00 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.01 1h0h h LYS 204 Cb 0.33 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1h0h h LYS 204 CO 0.00 0.54 -1.54 -1.49 -2.27 0.00 0.00 179.45 174.69 1h0h h TRP 205 N 0.84 0.67 -0.51 1.91 4.06 -1.35 -1.82 115.95 119.75 1h0h h TRP 205 Ca 0.24 -0.49 0.01 0.00 2.06 0.00 0.00 58.89 60.70 1h0h h TRP 205 Cb -0.08 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.02 1h0h h TRP 205 CO -0.03 1.50 0.33 0.28 -3.56 0.00 0.00 178.44 176.95 1h0h h VAL 206 N 0.10 1.10 -0.08 1.49 2.07 -1.27 -0.59 116.25 119.08 1h0h h VAL 206 Ca -0.26 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1h0h h VAL 206 Cb 2.08 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1h0h h VAL 206 CO 0.20 0.12 -0.54 0.24 0.02 0.00 0.00 177.57 177.62 1h0h h MET 207 N 0.67 0.23 -0.63 1.57 2.86 -1.19 -1.65 114.93 116.78 1h0h h MET 207 Ca 0.19 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1h0h h MET 207 Cb -0.05 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1h0h h MET 207 CO -0.06 0.71 0.25 0.00 1.06 0.00 0.00 176.91 178.88 1h0h h ARG 208 N 0.18 0.92 -0.51 1.72 3.08 -0.84 0.76 114.38 119.68 1h0h h ARG 208 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1h0h h ARG 208 Cb 1.00 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1h0h h ARG 208 CO 0.08 0.75 0.22 0.00 -1.07 0.00 0.00 179.97 179.96 1h0h h ALA 209 N 1.37 0.66 -0.99 0.04 0.00 -0.53 -2.81 119.26 117.01 1h0h h ALA 209 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1h0h h ALA 209 Cb 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1h0h h ALA 209 CO -0.02 0.25 0.65 -0.22 0.00 0.00 0.00 179.25 179.91 1h0h h LYS 210 N 0.68 1.25 0.00 0.00 3.64 -0.63 0.24 116.57 121.75 1h0h h LYS 210 Ca 0.17 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1h0h h LYS 210 Cb 0.16 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1h0h h LYS 210 CO -0.02 0.83 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.53 1h0h h ASP 211 N 1.29 0.00 0.03 4.20 3.32 -0.63 -0.49 116.42 124.15 1h0h h ASP 211 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1h0h h ASP 211 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1h0h h ASP 211 CO -0.10 0.02 -0.13 0.29 -1.72 0.00 0.00 179.24 177.60 1h0h n LYS 212 N -3.41 1.62 0.00 3.56 5.02 -0.04 -4.92 118.16 119.99 1h0h n LYS 212 Ca -0.03 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 1h0h n LYS 212 Cb 0.12 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1h0h n LYS 212 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h0h n GLY 213 N 1.30 0.95 3.77 0.72 0.00 -0.19 -5.10 105.19 106.63 1h0h n GLY 213 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1h0h n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0h s ALA 214 N -2.00 2.62 -0.20 4.61 0.00 -0.53 -4.97 121.76 121.29 1h0h s ALA 214 Ca 0.00 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 1h0h s ALA 214 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1h0h s ALA 214 CO 0.00 -0.95 0.29 0.99 0.00 0.00 0.00 175.76 176.09 1h0h s THR 215 N -1.72 5.28 -0.16 0.00 2.01 -0.85 -4.48 115.64 115.71 1h0h s THR 215 Ca 0.74 0.49 -0.06 0.00 0.31 0.00 0.00 61.69 63.18 1h0h s THR 215 Cb -0.26 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1h0h s THR 215 CO 0.30 0.32 0.02 -0.76 -0.69 0.00 0.00 174.62 173.81 1h0h s LEU 216 N 1.00 3.60 -0.05 4.42 1.43 -1.26 -1.26 118.68 126.56 1h0h s LEU 216 Ca 0.15 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1h0h s LEU 216 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1h0h s LEU 216 CO 0.05 0.19 -0.14 -0.63 0.23 0.00 0.00 176.35 176.06 1h0h s ILE 217 N 0.24 1.21 -0.10 -0.59 1.01 -0.29 -0.42 121.20 122.26 1h0h s ILE 217 Ca 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1h0h s ILE 217 Cb -0.13 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1h0h s ILE 217 CO 0.01 0.36 -0.18 -2.28 0.00 0.00 0.00 174.94 172.86 1h0h s HIS 218 N 0.24 2.14 -0.22 3.97 2.46 -0.46 -0.01 115.29 123.40 1h0h s HIS 218 Ca -0.07 -0.96 0.01 0.00 0.47 0.00 0.00 55.06 54.52 1h0h s HIS 218 Cb -0.12 -1.49 0.05 0.00 -0.13 0.00 0.00 32.58 30.88 1h0h s HIS 218 CO 0.02 -0.45 -0.11 0.08 -2.47 0.00 0.00 174.74 171.82 1h0h s VAL 219 N 0.75 1.79 -0.26 0.89 1.01 -0.32 -0.79 120.40 123.46 1h0h s VAL 219 Ca -0.11 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.44 1h0h s VAL 219 Cb -0.16 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.45 1h0h s VAL 219 CO 0.02 0.12 0.86 -0.62 0.00 0.00 0.00 175.10 175.48 1h0h s ASP 220 N 1.32 -0.60 0.48 3.32 -1.08 -0.83 -3.42 116.67 115.85 1h0h s ASP 220 Ca -0.03 1.11 0.33 0.00 -0.52 0.00 0.00 52.55 53.44 1h0h s ASP 220 Cb -0.17 1.11 1.71 0.00 -1.46 0.00 0.00 42.92 44.11 1h0h s ASP 220 CO -0.08 -0.23 1.99 1.55 0.52 0.00 0.00 175.17 178.93 1h0h h PRO 221 N 4.43 0.00 -6.46 4.34 0.13 -1.83 -3.30 132.00 129.31 1h0h h PRO 221 Ca -0.28 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.24 1h0h h PRO 221 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 1h0h h PRO 221 CO 0.11 0.00 -0.84 1.03 -0.23 0.00 0.00 178.00 178.07 1h0h s ARG 222 N -3.80 1.27 -0.17 0.86 0.52 -1.26 -4.72 118.95 111.64 1h0h s ARG 222 Ca -0.03 -1.28 -0.21 0.00 -0.52 0.00 0.00 55.73 53.69 1h0h s ARG 222 Cb 0.10 -1.61 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 1h0h s ARG 222 CO 0.33 0.37 0.65 -0.47 0.02 0.00 0.00 175.30 176.20 1h0h s TYR 223 N -1.23 3.41 0.19 -0.53 6.14 -0.45 -4.97 117.35 119.91 1h0h s TYR 223 Ca 0.11 1.00 0.01 0.00 0.64 0.00 0.00 57.07 58.83 1h0h s TYR 223 Cb -0.09 -2.81 -0.00 0.00 0.42 0.00 0.00 41.96 39.47 1h0h s TYR 223 CO 0.05 -0.13 0.03 0.25 0.64 0.00 0.00 175.55 176.39 1h0h n THR 224 N 4.53 0.00 0.01 4.34 -2.24 -1.26 -4.83 114.28 114.83 1h0h n THR 224 Ca -0.01 -0.98 0.08 0.00 -2.27 0.00 0.00 64.05 60.87 1h0h n THR 224 Cb 0.50 0.27 0.50 0.00 -2.10 0.00 0.00 70.33 69.50 1h0h n THR 224 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1h0h h ARG 225 N 0.00 0.38 -0.10 -0.78 3.08 -1.97 -1.92 114.38 113.08 1h0h h ARG 225 Ca -0.15 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1h0h h ARG 225 Cb 0.51 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1h0h h ARG 225 CO 0.25 0.25 0.04 1.15 -1.07 0.00 0.00 179.97 180.59 1h0h h THR 226 N 0.39 1.14 -1.01 2.04 2.02 -1.91 -3.16 112.91 112.42 1h0h h THR 226 Ca 0.18 -0.42 0.25 0.00 0.77 0.00 0.00 66.41 67.20 1h0h h THR 226 Cb 0.22 1.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.79 1h0h h THR 226 CO -0.04 0.12 0.66 0.28 0.37 0.00 0.00 175.52 176.91 1h0h h SER 227 N 0.01 0.39 -0.13 4.18 0.02 -1.72 -1.85 113.55 114.44 1h0h h SER 227 Ca 0.03 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1h0h h SER 227 Cb 0.16 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1h0h h SER 227 CO -0.00 0.10 0.22 0.71 -1.14 0.00 0.00 176.83 176.72 1h0h h THR 228 N 0.36 0.26 -0.05 -2.27 1.35 -1.50 -1.36 112.91 109.70 1h0h h THR 228 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.41 1h0h h THR 228 Cb 1.48 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1h0h h THR 228 CO -0.23 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.33 1h0h n LYS 229 N -3.44 1.99 -3.70 4.72 4.76 -0.70 -4.99 118.16 116.79 1h0h n LYS 229 Ca 0.00 -1.80 -0.34 0.00 -2.87 0.00 0.00 58.31 53.30 1h0h n LYS 229 Cb 0.32 -1.41 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 1h0h n LYS 229 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h0h h ASP 231 N 3.77 0.41 -3.35 0.00 3.32 -1.06 -3.43 116.42 116.08 1h0h h ASP 231 Ca -0.49 -0.15 -0.44 0.00 0.02 0.00 0.00 57.03 55.97 1h0h h ASP 231 Cb 1.19 -0.11 -0.36 0.00 0.22 0.00 0.00 39.33 40.27 1h0h h ASP 231 CO 0.67 0.72 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.37 1h0h s LEU 232 N -8.51 1.08 -0.12 1.55 1.43 -0.92 -5.03 118.68 108.16 1h0h s LEU 232 Ca -0.06 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1h0h s LEU 232 Cb 0.13 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.84 1h0h s LEU 232 CO 0.79 -0.10 -0.22 -0.47 0.23 0.00 0.00 176.35 176.58 1h0h s TYR 233 N 1.36 2.63 -0.15 0.29 5.04 -1.26 -1.36 117.35 123.90 1h0h s TYR 233 Ca -0.04 -1.07 -0.00 0.00 -2.44 0.00 0.00 57.07 53.52 1h0h s TYR 233 Cb -0.13 -1.76 0.03 0.00 0.35 0.00 0.00 41.96 40.44 1h0h s TYR 233 CO -0.03 -0.45 -0.09 0.00 -1.34 0.00 0.00 175.55 173.65 1h0h s ALA 234 N 0.49 1.62 0.31 3.97 0.00 0.03 -4.99 121.76 123.19 1h0h s ALA 234 Ca -0.14 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 1h0h s ALA 234 Cb -0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.79 1h0h s ALA 234 CO 0.05 -0.57 0.99 -1.25 0.00 0.00 0.00 175.76 174.99 1h0h s PRO 235 N 1.58 4.59 0.00 0.00 0.04 -1.26 -1.97 135.00 137.98 1h0h s PRO 235 Ca 0.03 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1h0h s PRO 235 Cb -0.14 -2.95 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1h0h s PRO 235 CO -0.09 0.25 0.23 -0.48 0.04 0.00 0.00 177.00 176.95 1h0h s LEU 236 N -1.82 1.18 0.41 -3.56 2.34 -1.24 -4.22 118.68 111.76 1h0h s LEU 236 Ca 0.48 -0.11 -0.27 0.00 0.06 0.00 0.00 54.13 54.30 1h0h s LEU 236 Cb -0.24 1.01 -0.09 0.00 -0.56 0.00 0.00 46.19 46.31 1h0h s LEU 236 CO 0.30 -0.45 1.39 -0.60 -1.06 0.00 0.00 176.35 175.93 1h0h s ARG 237 N -1.62 3.95 0.15 1.48 3.52 0.43 -3.53 118.95 123.33 1h0h s ARG 237 Ca -0.12 2.35 -0.34 0.00 -0.13 0.00 0.00 55.73 57.49 1h0h s ARG 237 Cb -0.05 -2.81 -0.15 0.00 -1.56 0.00 0.00 34.95 30.38 1h0h s ARG 237 CO 0.02 -0.58 1.39 0.43 -0.81 0.00 0.00 175.30 175.75 1h0h n SER 238 N 0.18 2.20 0.00 -2.12 7.64 -1.26 -1.96 113.62 118.30 1h0h n SER 238 Ca 0.03 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1h0h n SER 238 Cb 0.42 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1h0h n SER 238 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h0h n GLY 239 N 2.63 0.45 0.91 0.23 0.00 -1.26 -4.88 105.19 103.26 1h0h n GLY 239 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1h0h n GLY 239 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h0h n SER 240 N -0.19 2.72 -0.34 1.61 3.41 -0.83 -4.56 113.62 115.44 1h0h n SER 240 Ca 0.00 -1.89 0.13 0.00 -0.26 0.00 0.00 58.87 56.85 1h0h n SER 240 Cb 0.10 -0.20 0.34 0.00 -0.26 0.00 0.00 64.21 64.19 1h0h n SER 240 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1h0h h ASP 241 N 3.51 0.75 -0.82 4.04 5.19 -1.90 -1.11 116.42 126.09 1h0h h ASP 241 Ca 0.00 0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.59 1h0h h ASP 241 Cb 0.77 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 40.17 1h0h h ASP 241 CO 0.00 0.29 0.53 0.40 -3.12 0.00 0.00 179.24 177.34 1h0h h ILE 242 N 0.74 0.94 -0.27 0.35 2.04 -1.94 -0.30 117.51 119.07 1h0h h ILE 242 Ca 0.55 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 66.14 1h0h h ILE 242 Cb 0.89 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1h0h h ILE 242 CO -0.33 0.14 0.10 0.00 0.00 0.00 0.00 178.15 178.06 1h0h h ALA 243 N 1.59 0.36 -0.49 1.87 0.00 -1.55 0.15 119.26 121.18 1h0h h ALA 243 Ca 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1h0h h ALA 243 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1h0h h ALA 243 CO -0.15 -0.03 0.29 0.35 0.00 0.00 0.00 179.25 179.71 1h0h h PHE 244 N 0.29 0.66 -0.21 0.00 3.04 -1.35 -0.98 116.94 118.39 1h0h h PHE 244 Ca 0.09 -0.01 -0.20 0.00 3.98 0.00 0.00 57.97 61.84 1h0h h PHE 244 Cb 0.20 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1h0h h PHE 244 CO -0.00 0.47 -0.64 -0.07 -2.02 0.00 0.00 178.31 176.04 1h0h h LEU 245 N 0.66 0.88 -0.76 0.59 3.38 -0.92 -2.31 115.31 116.83 1h0h h LEU 245 Ca 0.18 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 1h0h h LEU 245 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1h0h h LEU 245 CO -0.03 1.30 -0.52 0.78 0.09 0.00 0.00 178.44 180.06 1h0h h ASN 246 N 0.57 0.29 -0.69 -0.43 4.21 -0.61 -1.79 115.58 117.12 1h0h h ASN 246 Ca -0.01 -0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.34 1h0h h ASN 246 Cb 1.24 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 38.33 1h0h h ASN 246 CO 0.13 0.76 0.38 1.23 -1.29 0.00 0.00 177.43 178.64 1h0h h GLY 247 N 1.34 1.05 1.03 2.83 0.00 -1.10 -1.19 103.07 107.04 1h0h h GLY 247 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1h0h h GLY 247 CO 0.08 0.45 0.22 1.98 0.00 0.00 0.00 176.54 179.27 1h0h h MET 248 N 0.99 1.06 -0.42 4.80 1.85 -0.80 -1.47 114.93 120.93 1h0h h MET 248 Ca 0.25 -0.23 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1h0h h MET 248 Cb 0.03 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 1h0h h MET 248 CO -0.04 0.91 0.28 1.15 -0.40 0.00 0.00 176.91 178.81 1h0h h THR 249 N 0.99 1.11 -0.32 -0.77 2.02 -0.56 0.12 112.91 115.50 1h0h h THR 249 Ca 0.22 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1h0h h THR 249 Cb 0.30 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1h0h h THR 249 CO -0.01 0.10 0.03 0.50 0.37 0.00 0.00 175.52 176.52 1h0h h LYS 250 N 0.57 0.13 -0.47 6.66 3.64 -1.10 -0.92 116.57 125.08 1h0h h LYS 250 Ca 0.16 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1h0h h LYS 250 Cb -0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1h0h h LYS 250 CO -0.04 0.09 0.27 -0.92 -2.27 0.00 0.00 179.45 176.58 1h0h h TYR 251 N 0.13 0.63 -0.21 1.91 3.20 -0.72 0.97 116.97 122.88 1h0h h TYR 251 Ca 0.15 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1h0h h TYR 251 Cb 0.19 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1h0h h TYR 251 CO -0.20 0.45 0.07 0.82 -1.64 0.00 0.00 178.16 177.66 1h0h h ILE 252 N 0.62 0.95 -0.21 1.81 2.04 -0.43 -1.34 117.51 120.96 1h0h h ILE 252 Ca 0.17 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 1h0h h ILE 252 Cb 0.01 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1h0h h ILE 252 CO -0.03 0.03 -0.12 -0.07 0.00 0.00 0.00 178.15 177.96 1h0h h LEU 253 N 0.17 0.47 -0.61 1.44 3.38 -0.92 -0.37 115.31 118.88 1h0h h LEU 253 Ca 0.09 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.49 1h0h h LEU 253 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1h0h h LEU 253 CO -0.09 0.80 -0.57 -0.33 0.09 0.00 0.00 178.44 178.33 1h0h h GLU 254 N 0.15 0.37 -0.14 1.13 5.08 -0.76 -2.75 114.58 117.66 1h0h h GLU 254 Ca 0.04 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1h0h h GLU 254 Cb 0.63 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1h0h h GLU 254 CO 0.03 0.84 0.00 1.63 -1.00 0.00 0.00 179.01 180.51 1h0h n LYS 255 N -3.92 1.77 -3.70 2.33 4.76 -0.51 -4.94 118.16 113.96 1h0h n LYS 255 Ca -0.03 -1.15 -0.21 0.00 -2.87 0.00 0.00 58.31 54.05 1h0h n LYS 255 Cb 0.60 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 32.40 1h0h n LYS 255 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1h0h n GLU 256 N 0.38 -4.81 -0.05 1.97 1.02 -0.86 -4.88 120.64 113.41 1h0h n GLU 256 Ca 0.17 0.62 0.12 0.00 -0.02 0.00 0.00 57.16 58.05 1h0h n GLU 256 Cb 0.36 -5.16 0.25 0.00 -0.02 0.00 0.00 31.44 26.86 1h0h n GLU 256 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1h0h n LEU 257 N -4.26 2.64 -4.85 -4.62 4.77 -0.21 -4.93 117.00 105.54 1h0h n LEU 257 Ca -0.30 -0.97 -0.31 0.00 -0.03 0.00 0.00 56.01 54.41 1h0h n LEU 257 Cb 0.68 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.74 1h0h n LEU 257 CO 0.68 0.48 0.72 -0.72 -1.33 0.00 0.00 177.39 177.23 1h0h s TYR 258 N -1.87 3.32 -0.67 -1.77 -0.85 -1.25 -4.38 117.35 109.88 1h0h s TYR 258 Ca 0.33 1.29 -0.16 0.00 -0.52 0.00 0.00 57.07 58.02 1h0h s TYR 258 Cb 0.21 -2.86 0.16 0.00 0.38 0.00 0.00 41.96 39.84 1h0h s TYR 258 CO 0.31 -1.06 0.65 0.12 -1.52 0.00 0.00 175.55 174.05 1h0h s PHE 259 N -3.15 3.40 0.13 -3.49 5.36 -0.33 -4.96 117.98 114.93 1h0h s PHE 259 Ca 0.57 -1.51 -0.24 0.00 -0.96 0.00 0.00 56.93 54.80 1h0h s PHE 259 Cb -0.12 -3.86 -0.03 0.00 -0.34 0.00 0.00 43.02 38.66 1h0h s PHE 259 CO 0.54 -1.07 1.65 -0.22 -1.46 0.00 0.00 175.22 174.66 1h0h h LYS 260 N 8.52 -0.27 -0.70 10.12 3.64 -1.92 -0.68 116.57 135.29 1h0h h LYS 260 Ca -0.13 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1h0h h LYS 260 Cb 1.07 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 1h0h h LYS 260 CO 0.95 -0.18 0.38 -0.44 -2.27 0.00 0.00 179.45 177.88 1h0h h ASP 261 N -0.28 0.54 -0.44 4.20 3.32 -1.99 0.07 116.42 121.83 1h0h h ASP 261 Ca 0.08 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1h0h h ASP 261 Cb 0.40 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1h0h h ASP 261 CO -0.24 0.33 0.12 0.22 -1.72 0.00 0.00 179.24 177.96 1h0h h TYR 262 N 0.67 0.71 -0.53 4.55 5.03 -1.83 -0.56 116.97 125.01 1h0h h TYR 262 Ca 0.33 -0.08 0.01 0.00 2.58 0.00 0.00 58.73 61.56 1h0h h TYR 262 Cb 0.26 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 1h0h h TYR 262 CO -0.09 0.65 0.35 0.28 -1.32 0.00 0.00 178.16 178.04 1h0h h VAL 263 N 0.57 1.13 -0.24 1.81 2.07 -0.30 0.00 116.25 121.30 1h0h h VAL 263 Ca 0.14 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1h0h h VAL 263 Cb 0.29 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1h0h h VAL 263 CO -0.00 0.13 0.08 0.58 0.02 0.00 0.00 177.57 178.38 1h0h h VAL 264 N 0.72 1.19 -0.19 2.57 2.07 -0.81 -2.46 116.25 119.34 1h0h h VAL 264 Ca 0.20 -0.58 -0.18 0.00 0.82 0.00 0.00 66.70 66.96 1h0h h VAL 264 Cb -0.08 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1h0h h VAL 264 CO -0.04 0.19 -0.61 0.78 0.02 0.00 0.00 177.57 177.90 1h0h h ASN 265 N 0.22 0.72 0.00 0.57 2.35 -0.84 -3.39 115.58 115.21 1h0h h ASN 265 Ca 0.08 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1h0h h ASN 265 Cb 0.22 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1h0h h ASN 265 CO -0.00 1.16 0.00 -1.22 -1.65 0.00 0.00 177.43 175.71 1h0h n TYR 266 N -3.95 0.00 -4.54 1.19 4.01 -0.04 -4.82 117.16 109.01 1h0h n TYR 266 Ca -0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 1h0h n TYR 266 Cb 0.65 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.57 1h0h n TYR 266 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1h0h s THR 267 N -0.37 2.17 -0.51 -0.72 -4.23 -0.93 -0.62 115.64 110.43 1h0h s THR 267 Ca 0.00 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 1h0h s THR 267 Cb 0.00 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 71.19 1h0h s THR 267 CO 0.00 -0.10 0.99 -0.46 -0.54 0.00 0.00 174.62 174.51 1h0h n ASN 268 N -0.91 2.61 -0.02 3.99 6.94 0.23 -4.37 115.26 123.73 1h0h n ASN 268 Ca -0.05 -2.30 0.11 0.00 -0.02 0.00 0.00 54.58 52.32 1h0h n ASN 268 Cb 0.65 -0.56 0.53 0.00 -2.36 0.00 0.00 39.78 38.03 1h0h n ASN 268 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1h0h h ALA 269 N 2.18 2.02 0.00 -2.53 0.00 -1.86 -1.87 119.26 117.21 1h0h h ALA 269 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h0h h ALA 269 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1h0h h ALA 269 CO 0.19 -0.12 -0.10 -1.13 0.00 0.00 0.00 179.25 178.08 1h0h n SER 270 N -4.47 0.65 -4.73 0.00 3.41 -1.26 -1.48 113.62 105.74 1h0h n SER 270 Ca 0.07 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 1h0h n SER 270 Cb 0.31 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1h0h n SER 270 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1h0h n PHE 271 N -2.09 2.65 -3.24 7.33 3.01 -0.70 -0.01 117.46 124.41 1h0h n PHE 271 Ca 0.05 0.45 -0.39 0.00 1.01 0.00 0.00 57.45 58.57 1h0h n PHE 271 Cb 0.41 -2.50 -0.07 0.00 -0.01 0.00 0.00 39.48 37.32 1h0h n PHE 271 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1h0h s ILE 272 N -0.84 5.10 0.14 4.37 -1.09 -0.36 -0.95 121.20 127.57 1h0h s ILE 272 Ca 0.57 0.95 -0.20 0.00 -2.23 0.00 0.00 60.65 59.74 1h0h s ILE 272 Cb -0.53 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.44 1h0h s ILE 272 CO 0.60 0.16 0.65 -0.69 -1.23 0.00 0.00 174.94 174.42 1h0h s VAL 273 N 1.77 4.64 1.08 2.92 1.01 0.39 -1.00 120.40 131.21 1h0h s VAL 273 Ca 0.24 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.37 1h0h s VAL 273 Cb -0.15 -3.91 0.24 0.00 0.00 0.00 0.00 36.38 32.56 1h0h s VAL 273 CO 0.09 0.41 1.06 -0.83 0.00 0.00 0.00 175.10 175.84 1h0h s GLY 274 N -1.36 1.59 0.42 4.51 0.00 -0.24 -4.63 107.32 107.61 1h0h s GLY 274 Ca 0.35 0.10 0.29 0.00 0.00 0.00 0.00 44.72 45.47 1h0h s GLY 274 CO 0.21 0.73 1.88 0.83 0.00 0.00 0.00 173.10 176.74 1h0h h GLU 275 N -2.39 0.00 0.00 2.90 5.08 -1.90 -2.82 114.58 115.45 1h0h h GLU 275 Ca -0.56 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1h0h h GLU 275 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1h0h h GLU 275 CO 0.48 0.00 -0.01 0.78 -1.00 0.00 0.00 179.01 179.25 1h0h h GLY 276 N 1.96 0.00 -3.39 -3.84 0.00 -1.91 -3.44 103.07 92.44 1h0h h GLY 276 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1h0h h GLY 276 CO 0.00 0.00 0.54 -0.12 0.00 0.00 0.00 176.54 176.96 1h0h s PHE 277 N -3.75 3.09 0.10 5.60 5.36 -0.83 -4.77 117.98 122.78 1h0h s PHE 277 Ca 0.00 1.53 -0.26 0.00 -0.96 0.00 0.00 56.93 57.24 1h0h s PHE 277 Cb 0.10 -3.47 0.08 0.00 -0.34 0.00 0.00 43.02 39.38 1h0h s PHE 277 CO 0.53 -1.43 0.90 0.00 -1.46 0.00 0.00 175.22 173.75 1h0h s ALA 278 N -1.31 -1.69 -0.15 11.12 0.00 -1.26 -4.98 121.76 123.48 1h0h s ALA 278 Ca 0.54 0.46 -0.09 0.00 0.00 0.00 0.00 51.96 52.88 1h0h s ALA 278 Cb -0.34 0.58 0.05 0.00 0.00 0.00 0.00 23.12 23.42 1h0h s ALA 278 CO 0.43 -0.89 0.37 0.12 0.00 0.00 0.00 175.76 175.79 1h0h s PHE 279 N -3.29 -0.52 -0.15 0.00 5.36 -1.26 -1.40 117.98 116.73 1h0h s PHE 279 Ca 0.09 1.14 -0.06 0.00 -0.96 0.00 0.00 56.93 57.15 1h0h s PHE 279 Cb -0.01 0.20 0.07 0.00 -0.34 0.00 0.00 43.02 42.94 1h0h s PHE 279 CO -0.03 -0.30 0.31 -2.00 -1.46 0.00 0.00 175.22 171.74 1h0h s GLU 280 N 1.24 0.21 -1.48 10.12 2.56 0.18 -4.94 118.70 126.57 1h0h s GLU 280 Ca -0.08 0.80 -0.03 0.00 0.00 0.00 0.00 54.97 55.65 1h0h s GLU 280 Cb -0.08 0.05 0.03 0.00 2.00 0.00 0.00 34.13 36.12 1h0h s GLU 280 CO -0.10 -0.26 0.39 0.39 -0.56 0.00 0.00 175.26 175.12 1h0h n GLU 281 N 5.18 -2.79 0.00 4.30 -0.58 -1.26 -1.47 120.64 124.03 1h0h n GLU 281 Ca -0.10 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1h0h n GLU 281 Cb 0.50 -4.43 0.00 0.00 -0.57 0.00 0.00 31.44 26.94 1h0h n GLU 281 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h0h n GLY 282 N -2.01 1.45 3.35 0.62 0.00 -1.26 -3.40 105.19 103.95 1h0h n GLY 282 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1h0h n GLY 282 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0h s LEU 283 N 0.00 2.67 0.84 0.99 1.43 -0.54 -4.91 118.68 119.16 1h0h s LEU 283 Ca 0.00 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1h0h s LEU 283 Cb 0.00 -1.60 0.10 0.00 0.03 0.00 0.00 46.19 44.71 1h0h s LEU 283 CO 0.00 0.15 1.10 -0.36 0.23 0.00 0.00 176.35 177.47 1h0h s PHE 284 N 0.45 2.66 0.71 0.29 0.08 -1.26 -0.65 117.98 120.26 1h0h s PHE 284 Ca -0.10 1.10 -0.15 0.00 0.12 0.00 0.00 56.93 57.90 1h0h s PHE 284 Cb -0.16 -3.19 0.03 0.00 -0.57 0.00 0.00 43.02 39.13 1h0h s PHE 284 CO 0.05 -2.02 1.18 0.00 -0.10 0.00 0.00 175.22 174.32 1h0h s ALA 285 N -3.14 2.22 0.00 5.36 0.00 -0.49 -3.77 121.76 121.93 1h0h s ALA 285 Ca 0.62 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1h0h s ALA 285 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1h0h s ALA 285 CO 0.55 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1h0h n GLY 286 N 0.14 0.69 3.71 0.00 0.00 -1.26 -4.66 105.19 103.81 1h0h n GLY 286 Ca 0.13 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1h0h n GLY 286 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1h0h s TYR 287 N -2.00 3.53 -0.39 1.61 5.04 -1.25 -0.59 117.35 123.31 1h0h s TYR 287 Ca 0.00 1.47 -0.09 0.00 -2.44 0.00 0.00 57.07 56.01 1h0h s TYR 287 Cb 0.00 -3.30 0.06 0.00 0.35 0.00 0.00 41.96 39.07 1h0h s TYR 287 CO 0.00 -0.76 0.22 1.21 -1.34 0.00 0.00 175.55 174.88 1h0h s ASN 288 N 0.93 5.58 0.55 4.32 3.84 -0.30 -4.97 114.94 124.89 1h0h s ASN 288 Ca 0.55 -1.36 0.33 0.00 0.21 0.00 0.00 52.86 52.60 1h0h s ASN 288 Cb -0.26 -1.96 1.45 0.00 -0.55 0.00 0.00 41.25 39.93 1h0h s ASN 288 CO 0.29 -0.47 2.02 0.07 -2.79 0.00 0.00 177.10 176.23 1h0h h LYS 289 N 8.36 0.00 0.20 0.43 2.10 -1.94 0.10 116.57 125.82 1h0h h LYS 289 Ca -0.23 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.11 1h0h h LYS 289 Cb 1.08 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.44 1h0h h LYS 289 CO 0.71 0.04 -1.39 0.93 -2.00 0.00 0.00 179.45 177.74 1h0h h GLU 290 N 0.00 0.42 0.00 0.07 4.39 -1.95 -3.31 114.58 114.20 1h0h h GLU 290 Ca -0.00 -0.72 0.00 0.00 0.34 0.00 0.00 59.36 58.97 1h0h h GLU 290 Cb 0.46 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1h0h h GLU 290 CO 0.01 1.35 -0.76 0.25 -1.16 0.00 0.00 179.01 178.69 1h0h n THR 291 N -3.63 0.26 -3.00 1.13 -2.24 -1.15 -4.94 114.28 100.70 1h0h n THR 291 Ca -0.13 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 1h0h n THR 291 Cb 1.07 0.02 0.02 0.00 -2.10 0.00 0.00 70.33 69.35 1h0h n THR 291 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h0h n ARG 292 N -2.01 -4.34 -4.33 -0.78 1.74 0.34 -4.99 116.66 102.30 1h0h n ARG 292 Ca 0.03 0.85 -0.19 0.00 -0.77 0.00 0.00 57.85 57.76 1h0h n ARG 292 Cb 0.43 -5.66 -0.10 0.00 -1.02 0.00 0.00 32.46 26.10 1h0h n ARG 292 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1h0h s LYS 293 N -5.68 1.27 -0.03 5.56 1.02 -1.19 -4.24 119.74 116.46 1h0h s LYS 293 Ca 0.28 -1.50 -0.03 0.00 0.02 0.00 0.00 55.97 54.74 1h0h s LYS 293 Cb -0.13 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 1h0h s LYS 293 CO 0.35 0.20 0.16 0.71 -0.92 0.00 0.00 175.35 175.85 1h0h s TYR 294 N -2.67 3.51 -0.70 3.18 2.02 -1.26 -1.15 117.35 120.27 1h0h s TYR 294 Ca 0.19 0.36 -0.22 0.00 -0.37 0.00 0.00 57.07 57.02 1h0h s TYR 294 Cb -0.02 -1.83 0.08 0.00 -0.40 0.00 0.00 41.96 39.78 1h0h s TYR 294 CO 0.06 0.64 1.01 0.34 -1.57 0.00 0.00 175.55 176.03 1h0h s ASP 295 N -1.74 6.23 0.22 2.29 2.15 0.25 -4.89 116.67 121.18 1h0h s ASP 295 Ca 0.24 -1.11 0.21 0.00 0.43 0.00 0.00 52.55 52.33 1h0h s ASP 295 Cb -0.12 -2.43 0.93 0.00 -0.30 0.00 0.00 42.92 41.00 1h0h s ASP 295 CO 0.15 -1.42 1.65 0.29 -0.17 0.00 0.00 175.17 175.68 1h0h n LYS 296 N 7.67 0.16 0.28 4.34 5.02 -1.26 -2.37 118.16 131.99 1h0h n LYS 296 Ca 0.01 0.43 0.16 0.00 -2.02 0.00 0.00 58.31 56.88 1h0h n LYS 296 Cb 0.46 -1.82 0.76 0.00 -0.02 0.00 0.00 35.03 34.41 1h0h n LYS 296 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1h0h h SER 297 N 0.00 0.00 0.22 4.39 4.64 -1.94 -0.60 113.55 120.26 1h0h h SER 297 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h0h h SER 297 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1h0h h SER 297 CO 0.00 0.07 0.00 0.11 -0.87 0.00 0.00 176.83 176.14 1h0h h LYS 298 N 0.00 0.00 -0.21 4.77 1.79 -1.81 -3.01 116.57 118.10 1h0h h LYS 298 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1h0h h LYS 298 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1h0h h LYS 298 CO 0.01 0.00 0.00 0.91 -1.08 0.00 0.00 179.45 179.29 1h0h n TRP 299 N -2.55 0.26 -0.97 -1.35 8.01 -0.23 -1.97 117.44 118.64 1h0h n TRP 299 Ca -0.01 -0.16 -0.30 0.00 -1.31 0.00 0.00 57.50 55.71 1h0h n TRP 299 Cb 0.10 -0.00 0.15 0.00 -2.01 0.00 0.00 31.31 29.55 1h0h n TRP 299 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1h0h s GLY 300 N -1.37 1.65 0.44 6.99 0.00 -1.14 -4.72 107.32 109.16 1h0h s GLY 300 Ca 0.27 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 45.08 1h0h s GLY 300 CO 0.24 0.69 0.87 -1.36 0.00 0.00 0.00 173.10 173.55 1h0h s PHE 301 N -2.77 3.43 0.01 1.90 0.08 -1.26 -1.08 117.98 118.29 1h0h s PHE 301 Ca 0.65 1.31 -0.30 0.00 0.12 0.00 0.00 56.93 58.70 1h0h s PHE 301 Cb -0.20 -2.64 -0.03 0.00 -0.57 0.00 0.00 43.02 39.57 1h0h s PHE 301 CO 0.58 -0.18 0.98 -2.00 -0.10 0.00 0.00 175.22 174.49 1h0h s GLU 302 N -3.74 4.57 0.11 0.44 2.12 -0.17 -4.63 118.70 117.40 1h0h s GLU 302 Ca 0.56 1.42 0.07 0.00 0.36 0.00 0.00 54.97 57.38 1h0h s GLU 302 Cb -0.10 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1h0h s GLU 302 CO 0.27 -0.03 -0.11 1.03 -0.54 0.00 0.00 175.26 175.88 1h0h s ARG 303 N 0.92 2.08 0.86 4.30 0.52 -1.26 -0.59 118.95 125.78 1h0h s ARG 303 Ca 0.51 -1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 1h0h s ARG 303 Cb -0.21 -2.28 0.19 0.00 0.52 0.00 0.00 34.95 33.17 1h0h s ARG 303 CO 0.28 0.50 1.17 -0.40 0.02 0.00 0.00 175.30 176.87 1h0h n ASP 304 N 0.70 0.50 0.16 0.23 5.68 0.65 -4.83 116.55 119.64 1h0h n ASP 304 Ca -0.14 -1.67 0.19 0.00 -0.50 0.00 0.00 54.79 52.67 1h0h n ASP 304 Cb 0.52 -0.85 0.78 0.00 -1.14 0.00 0.00 41.12 40.43 1h0h n ASP 304 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1h0h h GLU 305 N 0.00 0.00 -0.02 0.11 5.08 -2.01 0.55 114.58 118.29 1h0h h GLU 305 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1h0h h GLU 305 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1h0h h GLU 305 CO 0.31 0.00 -0.18 0.09 -1.00 0.00 0.00 179.01 178.22 1h0h n ASN 306 N -3.56 1.85 0.00 1.42 5.03 -1.26 -4.94 115.26 113.80 1h0h n ASN 306 Ca 0.04 -1.46 0.00 0.00 0.87 0.00 0.00 54.58 54.03 1h0h n ASN 306 Cb 0.51 0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 1h0h n ASN 306 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h0h n GLY 307 N 1.32 0.47 3.73 7.41 0.00 0.19 -4.70 105.19 113.61 1h0h n GLY 307 Ca 0.14 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1h0h n GLY 307 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h0h s ASN 308 N -2.88 5.42 0.20 1.61 0.01 -1.26 -4.79 114.94 113.26 1h0h s ASN 308 Ca 0.00 0.11 -0.32 0.00 -0.71 0.00 0.00 52.86 51.93 1h0h s ASN 308 Cb 0.00 -1.52 -0.14 0.00 0.41 0.00 0.00 41.25 40.01 1h0h s ASN 308 CO 0.00 0.31 1.43 -2.65 -1.51 0.00 0.00 177.10 174.68 1h0h n PRO 309 N 1.51 1.94 -2.12 -0.60 -0.02 -1.26 -0.25 135.00 134.20 1h0h n PRO 309 Ca -0.15 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 1h0h n PRO 309 Cb 0.53 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1h0h n PRO 309 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1h0h s LYS 310 N 0.03 3.17 -0.00 -0.52 1.02 0.24 -4.77 119.74 118.91 1h0h s LYS 310 Ca 0.73 1.63 0.02 0.00 0.02 0.00 0.00 55.97 58.37 1h0h s LYS 310 Cb -0.69 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1h0h s LYS 310 CO 0.46 -1.00 -0.07 1.03 -0.92 0.00 0.00 175.35 174.85 1h0h s ARG 311 N -3.42 0.55 -0.41 1.68 0.52 -1.26 -1.22 118.95 115.40 1h0h s ARG 311 Ca 0.73 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1h0h s ARG 311 Cb -0.25 -0.54 0.11 0.00 0.52 0.00 0.00 34.95 34.80 1h0h s ARG 311 CO 0.31 0.15 0.17 0.34 0.02 0.00 0.00 175.30 176.28 1h0h s ASP 312 N -0.17 5.01 0.00 0.23 2.15 0.99 -4.97 116.67 119.92 1h0h s ASP 312 Ca 0.03 -2.21 0.16 0.00 0.43 0.00 0.00 52.55 50.96 1h0h s ASP 312 Cb -0.03 -1.74 0.78 0.00 -0.30 0.00 0.00 42.92 41.63 1h0h s ASP 312 CO -0.00 -0.45 1.47 -0.62 -0.17 0.00 0.00 175.17 175.39 1h0h n GLU 313 N 4.28 0.19 0.03 4.34 1.02 -1.26 -1.16 120.64 128.08 1h0h n GLU 313 Ca 0.01 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1h0h n GLU 313 Cb 0.41 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.80 1h0h n GLU 313 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1h0h n THR 314 N -1.32 0.15 -2.44 2.62 -2.24 -1.26 -4.93 114.28 104.86 1h0h n THR 314 Ca 0.07 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1h0h n THR 314 Cb 0.14 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1h0h n THR 314 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1h0h n LEU 315 N -1.71 -1.95 -0.04 3.22 4.77 -0.31 -4.89 117.00 116.09 1h0h n LEU 315 Ca 0.06 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1h0h n LEU 315 Cb 0.37 -2.69 -0.10 0.00 -2.33 0.00 0.00 43.42 38.67 1h0h n LEU 315 CO 0.30 -0.14 -0.80 0.29 -1.33 0.00 0.00 177.39 175.71 1h0h n LYS 316 N -2.92 1.47 -1.61 3.23 5.02 -1.26 -4.57 118.16 117.53 1h0h n LYS 316 Ca -0.20 -0.05 -0.51 0.00 -2.02 0.00 0.00 58.31 55.53 1h0h n LYS 316 Cb 0.66 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 1h0h n LYS 316 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1h0h n HIS 317 N -2.26 1.65 0.27 2.13 -0.00 -1.26 -4.83 115.22 110.92 1h0h n HIS 317 Ca -0.13 0.57 0.18 0.00 0.46 0.00 0.00 57.72 58.80 1h0h n HIS 317 Cb 0.69 -2.37 0.92 0.00 -0.12 0.00 0.00 29.99 29.11 1h0h n HIS 317 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1h0h h PRO 318 N 4.89 0.00 -0.38 1.57 0.13 -1.98 -0.68 132.00 135.54 1h0h h PRO 318 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1h0h h PRO 318 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1h0h h PRO 318 CO 0.80 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.11 1h0h n ARG 319 N -2.73 2.92 -2.44 0.86 1.74 -1.26 -4.43 116.66 111.32 1h0h n ARG 319 Ca -0.02 -2.27 -0.34 0.00 -0.77 0.00 0.00 57.85 54.46 1h0h n ARG 319 Cb 0.08 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1h0h n ARG 319 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h0h h VAL 321 N 1.29 0.59 -0.37 0.00 2.07 -0.78 -1.35 116.25 117.70 1h0h h VAL 321 Ca -0.49 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1h0h h VAL 321 Cb 1.22 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1h0h h VAL 321 CO 0.59 0.09 0.17 0.15 0.02 0.00 0.00 177.57 178.60 1h0h h PHE 322 N 0.51 0.32 -0.04 1.57 3.57 -1.55 0.15 116.94 121.47 1h0h h PHE 322 Ca 0.52 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.90 1h0h h PHE 322 Cb 0.88 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1h0h h PHE 322 CO -0.11 0.17 -0.58 1.96 -2.23 0.00 0.00 178.31 177.52 1h0h h GLN 323 N 0.36 0.14 -0.38 1.11 1.08 -1.55 -1.21 115.11 114.66 1h0h h GLN 323 Ca 0.16 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1h0h h GLN 323 Cb 0.08 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1h0h h GLN 323 CO -0.12 0.67 -0.09 0.82 -0.95 0.00 0.00 178.83 179.17 1h0h h ILE 324 N 0.10 1.24 -0.20 2.54 2.04 -0.91 -2.26 117.51 120.06 1h0h h ILE 324 Ca -0.00 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1h0h h ILE 324 Cb 1.05 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1h0h h ILE 324 CO 0.08 0.36 -0.04 0.24 0.00 0.00 0.00 178.15 178.79 1h0h h MET 325 N 0.59 0.38 -0.61 2.37 2.86 -0.59 -0.16 114.93 119.78 1h0h h MET 325 Ca 0.11 -0.14 0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1h0h h MET 325 Cb 0.51 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 1h0h h MET 325 CO 0.03 0.63 0.16 0.87 1.06 0.00 0.00 176.91 179.65 1h0h h LYS 326 N 0.11 0.29 -0.14 1.72 1.57 -0.95 -0.65 116.57 118.51 1h0h h LYS 326 Ca 0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1h0h h LYS 326 Cb 0.48 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1h0h h LYS 326 CO 0.02 0.19 0.00 -0.22 -0.57 0.00 0.00 179.45 178.87 1h0h h LYS 327 N 0.30 0.24 -0.63 3.15 1.63 -1.22 -3.04 116.57 117.01 1h0h h LYS 327 Ca 0.32 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 60.09 1h0h h LYS 327 Cb 0.46 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 1h0h h LYS 327 CO -0.38 0.47 0.36 1.25 -3.45 0.00 0.00 179.45 177.70 1h0h h HIS 328 N -0.01 0.67 -0.00 1.91 2.76 -0.37 -2.97 115.15 117.14 1h0h h HIS 328 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1h0h h HIS 328 Cb 0.36 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1h0h h HIS 328 CO 0.03 0.35 -0.15 0.66 -1.30 0.00 0.00 177.93 177.52 1h0h n TYR 329 N -4.77 0.00 0.17 5.26 4.01 -0.31 -4.13 117.16 117.39 1h0h n TYR 329 Ca 0.07 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.99 1h0h n TYR 329 Cb 0.13 -0.34 0.80 0.00 -0.31 0.00 0.00 39.34 39.62 1h0h n TYR 329 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1h0h h GLU 330 N 0.14 0.00 0.00 -0.72 4.11 -1.40 -1.86 114.58 114.86 1h0h h GLU 330 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1h0h h GLU 330 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1h0h h GLU 330 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.62 1h0h n ARG 331 N -3.80 0.11 -1.67 1.06 1.74 -1.26 -4.25 116.66 108.58 1h0h n ARG 331 Ca 0.03 0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 1h0h n ARG 331 Cb 0.40 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1h0h n ARG 331 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1h0h n TYR 332 N -1.43 2.01 -1.29 -1.55 4.01 -0.70 -4.96 117.16 113.25 1h0h n TYR 332 Ca 0.07 -2.13 -0.31 0.00 -0.16 0.00 0.00 57.90 55.37 1h0h n TYR 332 Cb 0.24 -1.39 0.09 0.00 -0.31 0.00 0.00 39.34 37.97 1h0h n TYR 332 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1h0h s ASP 333 N 0.03 4.53 0.23 7.72 1.47 -1.26 -4.42 116.67 124.96 1h0h s ASP 333 Ca 0.56 1.84 -0.08 0.00 1.18 0.00 0.00 52.55 56.05 1h0h s ASP 333 Cb 0.36 -2.52 0.20 0.00 -0.34 0.00 0.00 42.92 40.62 1h0h s ASP 333 CO -0.24 -2.02 1.87 -0.07 0.68 0.00 0.00 175.17 175.39 1h0h h LEU 334 N -1.06 1.07 -0.67 2.11 3.38 -1.95 -1.89 115.31 116.30 1h0h h LEU 334 Ca -0.44 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.51 1h0h h LEU 334 Cb 1.23 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1h0h h LEU 334 CO 0.51 0.83 0.39 0.44 0.09 0.00 0.00 178.44 180.70 1h0h h ASP 335 N 1.21 0.60 -0.26 -0.43 3.32 -1.99 0.36 116.42 119.23 1h0h h ASP 335 Ca 0.31 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1h0h h ASP 335 Cb -0.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1h0h h ASP 335 CO -0.06 0.40 0.09 0.11 -1.72 0.00 0.00 179.24 178.05 1h0h h LYS 336 N 0.73 0.40 -0.38 3.56 1.57 -1.74 -1.49 116.57 119.22 1h0h h LYS 336 Ca 0.29 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1h0h h LYS 336 Cb 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1h0h h LYS 336 CO -0.16 0.46 0.22 0.82 -0.57 0.00 0.00 179.45 180.23 1h0h h ILE 337 N 0.26 1.03 -0.75 1.86 2.04 -0.94 -1.71 117.51 119.29 1h0h h ILE 337 Ca 0.08 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1h0h h ILE 337 Cb 0.23 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1h0h h ILE 337 CO -0.00 0.08 0.48 -1.28 0.00 0.00 0.00 178.15 177.43 1h0h h SER 338 N 0.44 0.80 -0.57 1.72 0.87 -0.76 -0.17 113.55 115.90 1h0h h SER 338 Ca 0.15 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1h0h h SER 338 Cb 0.02 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1h0h h SER 338 CO -0.08 0.56 0.27 0.00 -0.53 0.00 0.00 176.83 177.05 1h0h h ALA 339 N 1.31 0.74 0.00 6.23 0.00 -0.98 -0.17 119.26 126.39 1h0h h ALA 339 Ca 0.30 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1h0h h ALA 339 Cb -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1h0h h ALA 339 CO -0.10 0.31 -1.33 0.97 0.00 0.00 0.00 179.25 179.09 1h0h h ILE 340 N 0.77 0.96 0.00 0.00 6.09 -1.13 -3.34 117.51 120.86 1h0h h ILE 340 Ca 0.20 -2.63 -0.09 0.00 -1.37 0.00 0.00 64.86 60.97 1h0h h ILE 340 Cb 0.13 2.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.82 1h0h h ILE 340 CO -0.02 0.55 -1.18 0.00 -3.07 0.00 0.00 178.15 174.42 1h0h n GLY 342 N 1.29 0.91 3.73 0.00 0.00 -0.08 -0.43 105.19 110.60 1h0h n GLY 342 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1h0h n GLY 342 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h0h s THR 343 N -3.60 5.08 0.24 2.61 2.01 -1.19 -4.89 115.64 115.90 1h0h s THR 343 Ca 0.00 1.24 -0.31 0.00 0.31 0.00 0.00 61.69 62.93 1h0h s THR 343 Cb 0.00 -3.95 -0.13 0.00 0.01 0.00 0.00 72.50 68.43 1h0h s THR 343 CO 0.00 0.30 1.44 -2.65 -0.69 0.00 0.00 174.62 173.02 1h0h n PRO 344 N 3.58 2.13 -0.28 4.92 -0.02 -1.26 -4.35 135.00 139.72 1h0h n PRO 344 Ca -0.04 0.76 0.08 0.00 -2.02 0.00 0.00 63.50 62.28 1h0h n PRO 344 Cb 0.51 -2.44 0.23 0.00 -0.02 0.00 0.00 33.50 31.79 1h0h n PRO 344 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1h0h h LYS 345 N 4.34 0.43 -0.96 -0.52 3.64 -1.91 -1.15 116.57 120.44 1h0h h LYS 345 Ca -0.45 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1h0h h LYS 345 Cb 1.27 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1h0h h LYS 345 CO 0.77 0.29 0.62 1.49 -2.27 0.00 0.00 179.45 180.35 1h0h h GLU 346 N 0.45 1.14 -0.16 1.90 4.22 -1.99 -0.59 114.58 119.55 1h0h h GLU 346 Ca 0.47 -0.07 -0.19 0.00 0.08 0.00 0.00 59.36 59.65 1h0h h GLU 346 Cb 0.78 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1h0h h GLU 346 CO -0.45 0.75 -0.66 1.25 -2.18 0.00 0.00 179.01 177.73 1h0h h LEU 347 N 1.17 0.85 -0.40 1.64 5.85 -1.60 -1.14 115.31 121.68 1h0h h LEU 347 Ca 0.39 -0.62 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1h0h h LEU 347 Cb 0.06 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1h0h h LEU 347 CO -0.13 1.33 0.15 0.40 -0.34 0.00 0.00 178.44 179.85 1h0h h ILE 348 N 0.42 0.89 -0.80 4.05 2.04 -0.83 -1.32 117.51 121.96 1h0h h ILE 348 Ca -0.04 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1h0h h ILE 348 Cb 1.29 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1h0h h ILE 348 CO 0.14 0.06 0.43 0.25 0.00 0.00 0.00 178.15 179.02 1h0h h LEU 349 N 0.32 1.00 -0.88 1.44 5.85 -0.99 0.59 115.31 122.64 1h0h h LEU 349 Ca 0.18 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1h0h h LEU 349 Cb 0.16 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1h0h h LEU 349 CO -0.18 0.82 0.55 0.11 -0.34 0.00 0.00 178.44 179.40 1h0h h LYS 350 N 1.12 1.19 -0.16 1.25 1.57 -0.49 0.91 116.57 121.96 1h0h h LYS 350 Ca 0.28 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1h0h h LYS 350 Cb 0.05 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1h0h h LYS 350 CO -0.04 0.82 -0.04 0.28 -0.57 0.00 0.00 179.45 179.89 1h0h h VAL 351 N 1.21 1.29 -0.46 0.50 2.07 -0.20 -1.52 116.25 119.14 1h0h h VAL 351 Ca 0.32 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1h0h h VAL 351 Cb -0.08 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1h0h h VAL 351 CO -0.06 0.30 0.29 1.88 0.02 0.00 0.00 177.57 180.00 1h0h h TYR 352 N 0.01 0.55 -0.24 1.57 0.05 -0.54 0.85 116.97 119.22 1h0h h TYR 352 Ca 0.04 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1h0h h TYR 352 Cb 0.48 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1h0h h TYR 352 CO 0.05 0.34 0.08 0.22 -1.05 0.00 0.00 178.16 177.80 1h0h h ASP 353 N 0.60 0.35 -0.13 3.88 3.58 -0.76 0.16 116.42 124.10 1h0h h ASP 353 Ca 0.17 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1h0h h ASP 353 Cb -0.04 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1h0h h ASP 353 CO -0.05 0.46 0.07 0.00 -2.88 0.00 0.00 179.24 176.84 1h0h h ALA 354 N 0.91 0.16 -0.19 -0.78 0.00 -1.03 -2.87 119.26 115.46 1h0h h ALA 354 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1h0h h ALA 354 Cb 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h0h h ALA 354 CO -0.00 -0.31 -0.18 -0.92 0.00 0.00 0.00 179.25 177.84 1h0h h TYR 355 N 0.12 0.55 0.00 0.00 3.20 -0.70 -3.12 116.97 117.02 1h0h h TYR 355 Ca 0.05 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1h0h h TYR 355 Cb 0.06 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1h0h h TYR 355 CO -0.05 0.82 0.00 0.00 -1.64 0.00 0.00 178.16 177.29 1h0h h ALA 357 N 2.28 1.00 0.00 0.00 0.00 -1.43 -2.60 119.26 118.51 1h0h h ALA 357 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h0h h ALA 357 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h0h h ALA 357 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1h0h n THR 358 N -2.51 0.00 0.82 0.00 -2.24 -0.59 -3.43 114.28 106.34 1h0h n THR 358 Ca 0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1h0h n THR 358 Cb 0.19 -0.40 0.46 0.00 -2.10 0.00 0.00 70.33 68.47 1h0h n THR 358 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 359 N 0.63 -1.00 3.77 3.38 0.00 -0.98 -4.28 105.19 106.71 1h0h n GLY 359 Ca 0.14 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1h0h n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h0h s LYS 360 N -2.72 3.88 0.45 1.61 1.02 -1.22 -4.16 119.74 118.60 1h0h s LYS 360 Ca 0.15 2.19 0.16 0.00 0.02 0.00 0.00 55.97 58.50 1h0h s LYS 360 Cb 0.13 -2.71 1.11 0.00 -0.52 0.00 0.00 37.83 35.84 1h0h s LYS 360 CO 0.31 -0.57 1.97 -1.35 -0.92 0.00 0.00 175.35 174.79 1h0h h PRO 361 N 2.55 0.31 -0.67 -1.68 0.11 -1.88 -1.41 132.00 129.34 1h0h h PRO 361 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h0h h PRO 361 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1h0h h PRO 361 CO 0.62 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 1h0h n ASP 362 N -4.46 4.47 -4.52 -2.05 5.75 -1.25 -3.99 116.55 110.51 1h0h n ASP 362 Ca 0.10 -2.33 -0.24 0.00 -0.01 0.00 0.00 54.79 52.31 1h0h n ASP 362 Cb 0.44 -0.55 -0.09 0.00 -1.03 0.00 0.00 41.12 39.89 1h0h n ASP 362 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1h0h s LYS 363 N -1.66 1.86 -0.07 0.11 -0.14 -0.53 -4.89 119.74 114.42 1h0h s LYS 363 Ca 0.49 -1.64 -0.03 0.00 -1.36 0.00 0.00 55.97 53.43 1h0h s LYS 363 Cb 0.30 -1.90 0.04 0.00 -1.68 0.00 0.00 37.83 34.60 1h0h s LYS 363 CO 0.26 0.35 0.15 0.00 -0.76 0.00 0.00 175.35 175.35 1h0h s ALA 364 N -2.39 -0.28 0.04 5.17 0.00 -1.26 -4.73 121.76 118.31 1h0h s ALA 364 Ca 0.30 0.69 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1h0h s ALA 364 Cb -0.06 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1h0h s ALA 364 CO 0.16 -0.16 -0.11 0.20 0.00 0.00 0.00 175.76 175.86 1h0h s GLY 365 N 1.16 1.71 0.16 0.00 0.00 -1.25 -0.23 107.32 108.87 1h0h s GLY 365 Ca -0.09 -1.12 0.08 0.00 0.00 0.00 0.00 44.72 43.59 1h0h s GLY 365 CO -0.06 -1.02 -0.17 -1.08 0.00 0.00 0.00 173.10 170.76 1h0h s THR 366 N -1.03 1.76 -0.13 0.90 -1.32 -0.39 -3.90 115.64 111.52 1h0h s THR 366 Ca 0.18 -1.92 0.03 0.00 -1.21 0.00 0.00 61.69 58.76 1h0h s THR 366 Cb -0.11 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.06 1h0h s THR 366 CO 0.09 -0.35 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.30 1h0h s ILE 367 N -2.15 2.17 -0.27 5.08 1.01 -1.18 -0.98 121.20 124.88 1h0h s ILE 367 Ca 0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1h0h s ILE 367 Cb -0.05 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1h0h s ILE 367 CO 0.06 0.55 0.08 -0.04 0.00 0.00 0.00 174.94 175.59 1h0h s MET 368 N 0.64 3.41 0.04 2.79 -1.94 -0.13 -0.87 119.30 123.24 1h0h s MET 368 Ca -0.11 -0.64 -0.05 0.00 -1.71 0.00 0.00 55.69 53.18 1h0h s MET 368 Cb -0.16 -3.35 -0.01 0.00 2.01 0.00 0.00 34.83 33.31 1h0h s MET 368 CO 0.02 -0.30 0.09 1.52 -0.01 0.00 0.00 175.02 176.34 1h0h s TYR 369 N 1.57 0.20 0.00 -0.03 -0.85 -1.02 -2.09 117.35 115.13 1h0h s TYR 369 Ca 0.05 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 1h0h s TYR 369 Cb -0.16 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.04 1h0h s TYR 369 CO 0.03 -0.36 0.00 0.00 -1.52 0.00 0.00 175.55 173.70 1h0h n ALA 370 N 0.80 0.76 -0.07 9.51 0.00 -0.55 -0.66 120.51 130.30 1h0h n ALA 370 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 1h0h n ALA 370 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1h0h n ALA 370 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1h0h h MET 371 N 0.00 0.00 0.00 0.00 1.85 -1.86 -3.44 114.93 111.48 1h0h h MET 371 Ca 0.00 0.00 0.13 0.00 -0.61 0.00 0.00 59.70 59.22 1h0h h MET 371 Cb 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 1h0h h MET 371 CO 0.00 0.69 -0.17 0.41 -0.40 0.00 0.00 176.91 177.44 1h0h n GLY 372 N 1.62 -1.80 3.76 1.39 0.00 -1.26 -4.77 105.19 104.13 1h0h n GLY 372 Ca -0.11 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1h0h n GLY 372 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h0h s TRP 373 N -0.97 2.72 -0.23 1.61 0.52 -1.26 -4.93 118.94 116.40 1h0h s TRP 373 Ca 0.00 1.46 0.18 0.00 0.02 0.00 0.00 56.10 57.75 1h0h s TRP 373 Cb 0.00 -3.58 0.11 0.00 -1.15 0.00 0.00 33.47 28.85 1h0h s TRP 373 CO 0.00 -2.03 1.38 1.79 0.02 0.00 0.00 176.95 178.11 1h0h h THR 374 N 1.98 0.52 -2.79 2.01 1.35 -1.86 -3.40 112.91 110.73 1h0h h THR 374 Ca -0.50 -1.77 -0.54 0.00 -0.55 0.00 0.00 66.41 63.05 1h0h h THR 374 Cb 1.26 2.19 0.01 0.00 -1.73 0.00 0.00 68.15 69.87 1h0h h THR 374 CO 0.60 0.30 0.93 -1.10 -0.25 0.00 0.00 175.52 176.00 1h0h s GLN 375 N -3.06 4.24 0.40 4.72 -0.21 -1.26 -4.89 119.66 119.60 1h0h s GLN 375 Ca 0.04 2.13 0.13 0.00 0.02 0.00 0.00 55.36 57.68 1h0h s GLN 375 Cb 0.07 -3.63 0.81 0.00 1.00 0.00 0.00 33.01 31.27 1h0h s GLN 375 CO 0.74 -0.67 1.88 0.45 -2.12 0.00 0.00 175.29 175.57 1h0h h HIS 376 N 8.21 0.00 0.00 0.91 3.86 -1.95 0.11 115.15 126.29 1h0h h HIS 376 Ca -0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1h0h h HIS 376 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1h0h h HIS 376 CO 0.78 0.31 0.00 0.25 0.86 0.00 0.00 177.93 180.13 1h0h n THR 377 N -4.15 0.01 -0.02 2.45 -2.24 -1.26 -1.43 114.28 107.64 1h0h n THR 377 Ca -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1h0h n THR 377 Cb 0.36 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.87 1h0h n THR 377 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1h0h n VAL 378 N -1.01 0.22 -0.10 2.28 0.31 -0.82 -4.86 118.33 114.36 1h0h n VAL 378 Ca 0.14 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.30 1h0h n VAL 378 Cb 0.07 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.43 1h0h n VAL 378 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1h0h h GLY 379 N -0.13 0.60 1.00 2.92 0.00 -0.54 -3.16 103.07 103.75 1h0h h GLY 379 Ca -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1h0h h GLY 379 CO -0.06 0.46 -0.06 -2.08 0.00 0.00 0.00 176.54 174.79 1h0h h VAL 380 N 0.31 0.87 0.00 4.60 2.07 -1.47 -1.99 116.25 120.65 1h0h h VAL 380 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1h0h h VAL 380 Cb 0.56 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1h0h h VAL 380 CO 0.03 0.00 -0.32 1.56 0.02 0.00 0.00 177.57 178.86 1h0h h GLN 381 N -0.17 0.00 -0.24 1.57 1.08 -1.75 -0.57 115.11 115.03 1h0h h GLN 381 Ca -0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1h0h h GLN 381 Cb 0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1h0h h GLN 381 CO 0.03 0.32 0.07 -0.97 -0.95 0.00 0.00 178.83 177.33 1h0h h ASN 382 N 0.00 0.36 -0.42 1.46 -1.24 -1.44 0.06 115.58 114.36 1h0h h ASN 382 Ca -0.00 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 56.71 1h0h h ASN 382 Cb 0.65 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 1h0h h ASN 382 CO 0.04 0.47 -0.06 0.40 -1.29 0.00 0.00 177.43 176.99 1h0h h ILE 383 N 0.22 1.26 -0.58 2.57 2.04 -0.90 -2.32 117.51 119.79 1h0h h ILE 383 Ca 0.08 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.86 1h0h h ILE 383 Cb 0.24 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1h0h h ILE 383 CO -0.00 0.39 0.32 0.03 0.00 0.00 0.00 178.15 178.89 1h0h h ARG 384 N 0.78 0.59 -0.31 2.37 2.47 -0.85 -0.66 114.38 118.77 1h0h h ARG 384 Ca 0.14 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.85 1h0h h ARG 384 Cb 0.55 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 1h0h h ARG 384 CO 0.03 0.39 0.13 0.00 0.56 0.00 0.00 179.97 181.08 1h0h h ALA 385 N 1.30 0.37 -0.76 0.04 0.00 -0.64 -0.03 119.26 119.53 1h0h h ALA 385 Ca 0.25 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1h0h h ALA 385 Cb 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1h0h h ALA 385 CO -0.15 -0.26 0.45 0.52 0.00 0.00 0.00 179.25 179.80 1h0h h MET 386 N 0.28 0.78 -0.26 0.00 2.86 -1.11 -1.80 114.93 115.68 1h0h h MET 386 Ca 0.13 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1h0h h MET 386 Cb 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1h0h h MET 386 CO -0.12 0.52 -0.20 0.66 1.06 0.00 0.00 176.91 178.83 1h0h h SER 387 N 0.81 0.47 -0.03 1.22 4.64 -0.33 -1.73 113.55 118.60 1h0h h SER 387 Ca 0.34 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1h0h h SER 387 Cb 0.21 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1h0h h SER 387 CO -0.19 0.69 -0.00 0.40 -0.87 0.00 0.00 176.83 176.85 1h0h h ILE 388 N 0.43 1.26 -0.98 0.95 2.04 -0.71 -1.99 117.51 118.52 1h0h h ILE 388 Ca 0.07 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1h0h h ILE 388 Cb 0.59 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1h0h h ILE 388 CO 0.04 0.21 0.65 0.78 0.00 0.00 0.00 178.15 179.83 1h0h h ASN 389 N -0.25 1.10 -0.50 1.72 2.35 -1.11 -0.08 115.58 118.80 1h0h h ASN 389 Ca 0.01 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1h0h h ASN 389 Cb 0.34 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1h0h h ASN 389 CO 0.00 0.78 0.06 1.56 -1.65 0.00 0.00 177.43 178.18 1h0h h GLN 390 N 1.29 0.90 -0.43 0.81 1.08 -1.23 -1.92 115.11 115.61 1h0h h GLN 390 Ca 0.37 -0.23 -0.15 0.00 -1.45 0.00 0.00 58.65 57.20 1h0h h GLN 390 Cb -0.09 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 1h0h h GLN 390 CO -0.10 0.86 -0.30 -0.07 -0.95 0.00 0.00 178.83 178.27 1h0h h LEU 391 N 0.85 1.00 -1.34 1.46 3.38 -0.57 0.20 115.31 120.29 1h0h h LEU 391 Ca 0.17 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1h0h h LEU 391 Cb 0.41 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1h0h h LEU 391 CO 0.01 1.22 -0.26 -0.07 0.09 0.00 0.00 178.44 179.44 1h0h h LEU 392 N 0.79 0.11 -1.22 1.67 3.38 -0.73 -2.10 115.31 117.20 1h0h h LEU 392 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1h0h h LEU 392 Cb 0.89 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1h0h h LEU 392 CO 0.08 0.37 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1h0h n LEU 393 N -4.20 1.81 -2.93 1.67 4.77 -0.75 -1.19 117.00 116.18 1h0h n LEU 393 Ca -0.02 -0.80 -0.20 0.00 -0.03 0.00 0.00 56.01 54.96 1h0h n LEU 393 Cb 0.34 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1h0h n LEU 393 CO 0.38 0.40 0.12 0.61 -1.33 0.00 0.00 177.39 177.57 1h0h n GLY 394 N 1.14 -0.35 0.75 -0.72 0.00 -0.79 -4.12 105.19 101.09 1h0h n GLY 394 Ca 0.15 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1h0h n GLY 394 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h0h n ASN 395 N -2.20 2.44 -4.75 1.61 3.02 0.03 -4.81 115.26 110.61 1h0h n ASN 395 Ca -0.04 -1.76 -0.36 0.00 -0.03 0.00 0.00 54.58 52.39 1h0h n ASN 395 Cb 0.58 0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.77 1h0h n ASN 395 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1h0h s ILE 396 N -2.12 5.37 0.00 2.41 -1.09 -1.25 -0.08 121.20 124.44 1h0h s ILE 396 Ca 0.28 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1h0h s ILE 396 Cb 0.20 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1h0h s ILE 396 CO 0.37 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 175.14 1h0h n GLY 397 N 3.22 1.17 3.92 6.18 0.00 -1.26 -4.49 105.19 113.93 1h0h n GLY 397 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1h0h n GLY 397 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h0h s VAL 398 N -2.68 4.99 0.15 1.61 -7.23 -1.26 -4.20 120.40 111.78 1h0h s VAL 398 Ca 0.00 -1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 1h0h s VAL 398 Cb 0.00 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.14 1h0h s VAL 398 CO 0.00 -0.33 1.50 0.00 -0.31 0.00 0.00 175.10 175.96 1h0h s ALA 399 N -2.02 3.71 0.00 1.32 0.00 -1.26 -1.96 121.76 121.55 1h0h s ALA 399 Ca 0.34 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1h0h s ALA 399 Cb -0.09 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1h0h s ALA 399 CO 0.28 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1h0h n GLY 400 N 3.63 0.74 0.00 0.00 0.00 -1.24 -4.69 105.19 103.63 1h0h n GLY 400 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1h0h n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h0h n GLY 401 N -2.52 2.76 0.00 -0.02 0.00 -0.83 -3.45 105.19 101.14 1h0h n GLY 401 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1h0h n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h0h n GLY 402 N 5.00 -0.78 3.28 -0.02 0.00 0.89 -4.52 105.19 109.04 1h0h n GLY 402 Ca 0.00 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1h0h n GLY 402 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h0h s VAL 403 N -2.10 4.71 -1.20 1.61 1.01 -1.26 -3.10 120.40 120.06 1h0h s VAL 403 Ca 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 61.98 60.32 1h0h s VAL 403 Cb 0.00 -3.98 0.15 0.00 0.00 0.00 0.00 36.38 32.55 1h0h s VAL 403 CO 0.00 -0.73 1.46 0.20 0.00 0.00 0.00 175.10 176.04 1h0h s ASN 404 N 2.87 7.00 -0.79 3.32 0.01 -0.05 -2.33 114.94 124.98 1h0h s ASN 404 Ca 0.04 -2.83 -0.26 0.00 -0.71 0.00 0.00 52.86 49.09 1h0h s ASN 404 Cb -0.27 -2.43 0.03 0.00 0.41 0.00 0.00 41.25 39.00 1h0h s ASN 404 CO 0.02 -0.84 1.32 0.00 -1.51 0.00 0.00 177.10 176.09 1h0h s ALA 405 N 2.10 2.74 0.01 0.60 0.00 -1.26 -2.44 121.76 123.51 1h0h s ALA 405 Ca 0.44 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 1h0h s ALA 405 Cb -0.02 -4.31 -0.06 0.00 0.00 0.00 0.00 23.12 18.73 1h0h s ALA 405 CO 0.01 -3.36 1.48 -0.51 0.00 0.00 0.00 175.76 173.38 1h0h s LEU 406 N 5.65 4.33 0.72 0.00 1.43 0.17 -4.27 118.68 126.71 1h0h s LEU 406 Ca 0.37 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.56 1h0h s LEU 406 Cb -0.07 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1h0h s LEU 406 CO 0.11 -0.78 1.10 -0.13 0.23 0.00 0.00 176.35 176.87 1h0h s ARG 407 N 2.59 2.53 0.00 1.70 3.00 -1.26 -4.66 118.95 122.84 1h0h s ARG 407 Ca 0.67 1.25 0.00 0.00 0.00 0.00 0.00 55.73 57.65 1h0h s ARG 407 Cb -0.34 -1.93 0.00 0.00 0.00 0.00 0.00 34.95 32.69 1h0h s ARG 407 CO 0.28 -1.44 0.00 0.41 0.00 0.00 0.00 175.30 174.55 1h0h n GLY 408 N -0.96 1.79 3.76 -3.53 0.00 -1.26 -4.26 105.19 100.72 1h0h n GLY 408 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1h0h n GLY 408 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h0h s GLU 409 N 0.00 2.25 0.38 1.61 2.02 -1.26 -1.89 118.70 121.81 1h0h s GLU 409 Ca 0.00 1.28 0.14 0.00 0.02 0.00 0.00 54.97 56.42 1h0h s GLU 409 Cb 0.00 -1.89 0.99 0.00 0.10 0.00 0.00 34.13 33.33 1h0h s GLU 409 CO 0.00 -1.66 1.82 0.00 0.02 0.00 0.00 175.26 175.44 1h0h h ALA 410 N -0.90 2.06 0.00 5.21 0.00 -0.62 -2.71 119.26 122.30 1h0h h ALA 410 Ca -0.44 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1h0h h ALA 410 Cb 1.24 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1h0h h ALA 410 CO 0.51 -0.38 -0.49 -1.71 0.00 0.00 0.00 179.25 177.18 1h0h n ASN 411 N -4.59 1.59 0.21 0.00 5.15 -1.22 -4.11 115.26 112.29 1h0h n ASN 411 Ca 0.21 -3.22 0.05 0.00 -0.60 0.00 0.00 54.58 51.02 1h0h n ASN 411 Cb 0.68 -0.44 0.46 0.00 -0.53 0.00 0.00 39.78 39.95 1h0h n ASN 411 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1h0h h VAL 412 N 2.36 1.12 -0.19 3.44 3.04 -1.63 0.51 116.25 124.91 1h0h h VAL 412 Ca -0.04 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1h0h h VAL 412 Cb 1.20 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 1h0h h VAL 412 CO 0.02 0.26 0.12 -0.61 -1.01 0.00 0.00 177.57 176.35 1h0h h GLN 413 N 0.00 0.25 -0.47 4.17 5.75 -1.80 -1.11 115.11 121.91 1h0h h GLN 413 Ca -0.00 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 1h0h h GLN 413 Cb 0.48 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1h0h h GLN 413 CO 0.03 0.17 -0.08 0.78 -2.65 0.00 0.00 178.83 177.09 1h0h h GLY 414 N 0.25 0.94 2.00 2.39 0.00 -1.51 0.12 103.07 107.26 1h0h h GLY 414 Ca 0.07 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 1h0h h GLY 414 CO -0.01 0.69 -0.29 1.48 0.00 0.00 0.00 176.54 178.40 1h0h h SER 415 N 0.72 0.00 -0.04 0.19 4.64 -0.85 0.12 113.55 118.33 1h0h h SER 415 Ca 0.12 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1h0h h SER 415 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1h0h h SER 415 CO 0.04 0.29 -0.29 0.74 -0.87 0.00 0.00 176.83 176.74 1h0h h THR 416 N 0.00 1.47 -0.81 2.95 2.02 -0.91 -2.64 112.91 114.99 1h0h h THR 416 Ca -0.00 -1.79 0.14 0.00 0.77 0.00 0.00 66.41 65.53 1h0h h THR 416 Cb 0.52 2.49 -0.06 0.00 -1.74 0.00 0.00 68.15 69.36 1h0h h THR 416 CO 0.04 0.50 0.53 0.44 0.37 0.00 0.00 175.52 177.40 1h0h h ASP 417 N -0.30 0.51 -0.31 4.18 3.32 -0.39 -1.28 116.42 122.16 1h0h h ASP 417 Ca -0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h0h h ASP 417 Cb 0.97 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1h0h h ASP 417 CO 0.06 0.27 0.00 1.41 -1.72 0.00 0.00 179.24 179.26 1h0h n HIS 418 N -4.51 1.09 -2.97 4.55 8.25 0.39 -1.06 115.22 120.95 1h0h n HIS 418 Ca 0.15 -0.38 -0.19 0.00 -0.26 0.00 0.00 57.72 57.04 1h0h n HIS 418 Cb 0.48 -0.31 0.04 0.00 1.12 0.00 0.00 29.99 31.32 1h0h n HIS 418 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h0h n GLY 419 N 0.37 -0.35 2.07 -1.41 0.00 -0.48 -4.19 105.19 101.19 1h0h n GLY 419 Ca 0.15 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1h0h n GLY 419 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h0h n LEU 420 N -3.61 5.92 -3.93 0.99 4.77 -1.00 -4.62 117.00 115.52 1h0h n LEU 420 Ca -0.09 -3.39 -0.10 0.00 -0.03 0.00 0.00 56.01 52.40 1h0h n LEU 420 Cb 0.60 -1.24 -0.11 0.00 -2.33 0.00 0.00 43.42 40.33 1h0h n LEU 420 CO 0.43 1.51 -0.31 -0.76 -1.33 0.00 0.00 177.39 176.93 1h0h s LEU 421 N -1.10 2.00 0.51 2.23 1.43 -1.16 -2.58 118.68 120.01 1h0h s LEU 421 Ca 0.47 -0.28 0.27 0.00 -1.03 0.00 0.00 54.13 53.55 1h0h s LEU 421 Cb 0.28 0.22 1.40 0.00 0.03 0.00 0.00 46.19 48.12 1h0h s LEU 421 CO -0.08 -0.24 2.05 0.00 0.23 0.00 0.00 176.35 178.32 1h0h h MET 422 N 4.97 0.00 -0.01 1.70 -0.00 -1.13 -3.07 114.93 117.39 1h0h h MET 422 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 1h0h h MET 422 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 1h0h h MET 422 CO 0.43 0.13 -0.46 -2.39 -0.00 0.00 0.00 176.91 174.62 1h0h n HIS 423 N -3.65 0.00 -3.86 -0.10 1.44 -1.26 -4.72 115.22 103.07 1h0h n HIS 423 Ca -0.02 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.57 1h0h n HIS 423 Cb 0.25 -0.05 -0.13 0.00 0.12 0.00 0.00 29.99 30.18 1h0h n HIS 423 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1h0h s ILE 424 N -2.56 0.01 0.71 0.61 -4.36 -1.16 -1.83 121.20 112.63 1h0h s ILE 424 Ca 0.19 -0.07 -0.09 0.00 -0.26 0.00 0.00 60.65 60.42 1h0h s ILE 424 Cb 0.18 -0.11 0.05 0.00 1.25 0.00 0.00 42.46 43.83 1h0h s ILE 424 CO 0.59 -0.04 1.05 -0.31 0.24 0.00 0.00 174.94 176.47 1h0h s TYR 425 N -0.10 3.05 0.17 1.37 2.02 0.10 -4.33 117.35 119.62 1h0h s TYR 425 Ca -0.01 0.66 -0.32 0.00 -0.37 0.00 0.00 57.07 57.02 1h0h s TYR 425 Cb -0.01 -3.17 -0.16 0.00 -0.40 0.00 0.00 41.96 38.21 1h0h s TYR 425 CO 0.00 -1.37 0.99 -2.30 -1.57 0.00 0.00 175.55 171.30 1h0h n PRO 426 N -2.98 0.75 -0.67 -1.71 -0.02 -1.26 -2.15 135.00 126.96 1h0h n PRO 426 Ca 0.07 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1h0h n PRO 426 Cb 0.60 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1h0h n PRO 426 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h0h n GLY 427 N 1.84 0.62 2.51 -1.23 0.00 -0.22 -4.11 105.19 104.59 1h0h n GLY 427 Ca 0.16 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 1h0h n GLY 427 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h0h n TYR 428 N -2.67 -1.16 -3.46 1.61 4.01 -0.91 -4.91 117.16 109.67 1h0h n TYR 428 Ca 0.00 0.26 -0.38 0.00 -0.16 0.00 0.00 57.90 57.62 1h0h n TYR 428 Cb 0.00 -3.28 -0.09 0.00 -0.31 0.00 0.00 39.34 35.66 1h0h n TYR 428 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h0h s LEU 429 N -4.51 4.10 0.37 7.72 1.43 -1.18 -4.92 118.68 121.70 1h0h s LEU 429 Ca 0.15 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 1h0h s LEU 429 Cb -0.07 -2.38 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 1h0h s LEU 429 CO 0.19 -0.08 1.26 0.61 0.23 0.00 0.00 176.35 178.55 1h0h n GLY 430 N 4.31 0.49 3.82 -3.19 0.00 -1.26 0.01 105.19 109.37 1h0h n GLY 430 Ca -0.10 0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1h0h n GLY 430 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h0h s THR 431 N -1.14 4.23 0.56 2.61 -4.23 -0.76 -4.70 115.64 112.21 1h0h s THR 431 Ca 0.58 1.32 -0.21 0.00 -1.18 0.00 0.00 61.69 62.19 1h0h s THR 431 Cb -0.55 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 69.68 1h0h s THR 431 CO 0.61 -0.37 1.31 0.00 -0.54 0.00 0.00 174.62 175.63 1h0h s ALA 432 N -2.21 2.72 0.15 3.99 0.00 -1.26 -4.95 121.76 120.20 1h0h s ALA 432 Ca 0.63 1.24 0.05 0.00 0.00 0.00 0.00 51.96 53.89 1h0h s ALA 432 Cb -0.11 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1h0h s ALA 432 CO 0.19 -1.33 -0.12 1.03 0.00 0.00 0.00 175.76 175.53 1h0h s ARG 433 N -3.02 1.10 0.41 0.00 1.81 -1.26 -2.28 118.95 115.70 1h0h s ARG 433 Ca 0.74 -1.43 0.14 0.00 -1.72 0.00 0.00 55.73 53.45 1h0h s ARG 433 Cb -0.38 -0.76 1.00 0.00 -0.45 0.00 0.00 34.95 34.37 1h0h s ARG 433 CO 0.44 0.11 1.91 0.00 -0.68 0.00 0.00 175.30 177.08 1h0h h ALA 434 N 2.88 2.05 -0.07 2.13 0.00 -0.95 -0.49 119.26 124.81 1h0h h ALA 434 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1h0h h ALA 434 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1h0h h ALA 434 CO 0.61 -0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 1h0h n SER 435 N -4.50 0.46 -3.89 0.00 3.41 -1.26 -4.28 113.62 103.56 1h0h n SER 435 Ca 0.15 -2.01 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1h0h n SER 435 Cb 0.52 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 1h0h n SER 435 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1h0h n ILE 436 N -0.27 1.80 0.22 -1.33 5.41 -0.19 -4.97 119.36 120.02 1h0h n ILE 436 Ca 0.02 -4.92 0.10 0.00 1.00 0.00 0.00 62.75 58.96 1h0h n ILE 436 Cb 0.08 -2.20 0.39 0.00 -0.71 0.00 0.00 39.64 37.20 1h0h n ILE 436 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1h0h h PRO 437 N 5.35 0.00 -5.30 0.38 0.14 -1.81 -3.44 132.00 127.32 1h0h h PRO 437 Ca 0.15 0.00 -0.39 0.00 0.14 0.00 0.00 66.00 65.91 1h0h h PRO 437 Cb 0.75 0.00 -0.17 0.00 0.14 0.00 0.00 31.00 31.72 1h0h h PRO 437 CO 0.74 0.20 -0.74 0.95 0.14 0.00 0.00 178.00 179.29 1h0h s THR 438 N -3.49 1.30 0.37 1.56 -4.23 -1.26 -4.94 115.64 104.95 1h0h s THR 438 Ca 0.02 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 1h0h s THR 438 Cb 0.09 -1.65 0.27 0.00 1.34 0.00 0.00 72.50 72.55 1h0h s THR 438 CO 0.64 -0.53 2.03 0.22 -0.54 0.00 0.00 174.62 176.44 1h0h h TYR 439 N 3.24 0.69 -0.45 3.99 3.20 -1.88 -0.64 116.97 125.13 1h0h h TYR 439 Ca -0.39 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.40 1h0h h TYR 439 Cb 1.20 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1h0h h TYR 439 CO 0.66 0.43 -0.11 1.49 -1.64 0.00 0.00 178.16 178.98 1h0h h GLU 440 N 0.74 0.82 -0.14 1.82 4.22 -1.98 -0.94 114.58 119.12 1h0h h GLU 440 Ca 0.21 -0.28 -0.14 0.00 0.08 0.00 0.00 59.36 59.23 1h0h h GLU 440 Cb -0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1h0h h GLU 440 CO -0.05 0.90 -0.53 0.93 -2.18 0.00 0.00 179.01 178.08 1h0h h GLU 441 N 0.74 0.40 0.19 1.92 5.08 -1.73 -1.45 114.58 119.74 1h0h h GLU 441 Ca 0.12 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1h0h h GLU 441 Cb 0.61 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1h0h h GLU 441 CO 0.04 0.83 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.87 1h0h h TYR 442 N 0.31 -0.24 -0.29 4.33 3.20 -0.70 -1.15 116.97 122.43 1h0h h TYR 442 Ca 0.01 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1h0h h TYR 442 Cb 1.03 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1h0h h TYR 442 CO 0.03 -0.04 -0.11 1.79 -1.64 0.00 0.00 178.16 178.19 1h0h h THR 443 N -0.40 1.22 -0.58 1.81 1.35 -1.17 -2.53 112.91 112.62 1h0h h THR 443 Ca -0.03 -0.98 -0.07 0.00 -0.55 0.00 0.00 66.41 64.78 1h0h h THR 443 Cb 0.31 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1h0h h THR 443 CO 0.04 0.32 0.08 0.50 -0.25 0.00 0.00 175.52 176.22 1h0h h LYS 444 N 0.44 0.97 -0.62 4.72 3.64 -1.13 -2.48 116.57 122.12 1h0h h LYS 444 Ca 0.08 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1h0h h LYS 444 Cb 0.47 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1h0h h LYS 444 CO 0.03 0.93 0.19 -0.22 -2.27 0.00 0.00 179.45 178.11 1h0h h LYS 445 N 0.87 0.93 -0.56 1.90 3.64 -0.86 -3.19 116.57 119.31 1h0h h LYS 445 Ca 0.18 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1h0h h LYS 445 Cb 0.44 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1h0h h LYS 445 CO 0.01 0.80 0.00 1.19 -2.27 0.00 0.00 179.45 179.19 1h0h n PHE 446 N -4.28 0.74 -3.64 1.91 3.72 -0.98 -4.79 117.46 110.13 1h0h n PHE 446 Ca 0.05 -0.38 -0.39 0.00 -0.05 0.00 0.00 57.45 56.68 1h0h n PHE 446 Cb 0.21 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 1h0h n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1h0h s THR 447 N -1.23 4.01 0.53 4.37 2.01 -0.95 -4.85 115.64 119.52 1h0h s THR 447 Ca 0.44 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.66 1h0h s THR 447 Cb 0.24 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 1h0h s THR 447 CO 0.32 -0.56 1.14 -2.16 -0.69 0.00 0.00 174.62 172.67 1h0h s PRO 448 N 1.36 3.41 -0.06 4.92 0.05 -1.26 -4.97 135.00 138.44 1h0h s PRO 448 Ca 0.04 1.64 0.05 0.00 0.05 0.00 0.00 61.00 62.78 1h0h s PRO 448 Cb -0.23 -2.06 -0.01 0.00 0.05 0.00 0.00 34.50 32.25 1h0h s PRO 448 CO 0.00 -0.81 -0.23 0.08 0.05 0.00 0.00 177.00 176.09 1h0h s VAL 449 N -1.74 1.92 -0.02 -0.36 1.01 -1.26 -4.33 120.40 115.62 1h0h s VAL 449 Ca 0.72 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1h0h s VAL 449 Cb -0.25 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1h0h s VAL 449 CO 0.28 0.53 -0.09 -0.55 0.00 0.00 0.00 175.10 175.27 1h0h s SER 450 N -0.00 1.16 0.00 3.32 0.15 -1.26 -5.02 113.70 112.04 1h0h s SER 450 Ca -0.07 -0.18 0.20 0.00 0.70 0.00 0.00 55.95 56.61 1h0h s SER 450 Cb -0.14 -0.22 0.57 0.00 -1.71 0.00 0.00 66.02 64.51 1h0h s SER 450 CO 0.04 0.09 1.48 0.29 1.20 0.00 0.00 173.24 176.34 1h0h n LYS 451 N 3.07 2.50 -3.08 5.44 5.02 -1.26 -4.86 118.16 124.99 1h0h n LYS 451 Ca -0.16 -2.32 -0.42 0.00 -2.02 0.00 0.00 58.31 53.39 1h0h n LYS 451 Cb 0.55 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1h0h n LYS 451 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1h0h s ASP 452 N -1.05 6.43 0.16 4.39 -1.08 -1.26 -4.94 116.67 119.32 1h0h s ASP 452 Ca 0.43 0.09 0.22 0.00 -0.52 0.00 0.00 52.55 52.77 1h0h s ASP 452 Cb 0.23 -2.34 0.89 0.00 -1.46 0.00 0.00 42.92 40.24 1h0h s ASP 452 CO 0.30 -0.66 1.68 -0.81 0.52 0.00 0.00 175.17 176.20 1h0h n PRO 453 N 6.17 0.14 0.00 4.34 -0.04 -1.26 -1.90 135.00 142.45 1h0h n PRO 453 Ca -0.01 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 1h0h n PRO 453 Cb 0.48 -1.73 0.65 0.00 -0.04 0.00 0.00 33.50 32.86 1h0h n PRO 453 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1h0h n GLN 454 N -1.99 0.99 -3.66 0.54 6.02 -1.26 -4.77 117.38 113.26 1h0h n GLN 454 Ca 0.04 -0.37 -0.38 0.00 -0.01 0.00 0.00 57.00 56.28 1h0h n GLN 454 Cb 0.26 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.91 1h0h n GLN 454 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1h0h s SER 455 N -2.26 5.61 0.26 1.08 0.15 -0.80 -1.72 113.70 116.02 1h0h s SER 455 Ca 0.35 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 1h0h s SER 455 Cb 0.21 -2.03 0.42 0.00 -1.71 0.00 0.00 66.02 62.91 1h0h s SER 455 CO 0.42 -0.07 1.83 0.00 1.20 0.00 0.00 173.24 176.62 1h0h h ALA 456 N 8.32 1.28 -6.79 5.45 0.00 -1.86 -3.47 119.26 122.20 1h0h h ALA 456 Ca -0.36 0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 1h0h h ALA 456 Cb 1.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1h0h h ALA 456 CO 0.57 0.21 -1.01 -1.71 0.00 0.00 0.00 179.25 177.32 1h0h n ASN 457 N -4.66 -4.54 0.28 0.00 5.15 -1.19 -4.79 115.26 105.51 1h0h n ASN 457 Ca 0.15 -1.16 0.13 0.00 -0.60 0.00 0.00 54.58 53.10 1h0h n ASN 457 Cb 0.26 -1.90 0.83 0.00 -0.53 0.00 0.00 39.78 38.43 1h0h n ASN 457 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1h0h h TRP 458 N -1.84 0.00 0.00 1.20 2.91 -1.34 -0.99 115.95 115.89 1h0h h TRP 458 Ca -0.67 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.35 1h0h h TRP 458 Cb 1.39 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.04 1h0h h TRP 458 CO 0.32 0.00 0.00 0.91 -1.03 0.00 0.00 178.44 178.64 1h0h n TRP 459 N -4.07 0.00 0.32 2.65 7.02 -1.26 -1.66 117.44 120.45 1h0h n TRP 459 Ca -0.03 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.66 1h0h n TRP 459 Cb 0.10 -0.27 1.12 0.00 -2.42 0.00 0.00 31.31 29.84 1h0h n TRP 459 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1h0h h SER 460 N 0.00 0.00 0.06 -0.99 4.64 -1.37 -0.98 113.55 114.91 1h0h h SER 460 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h0h h SER 460 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1h0h h SER 460 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1h0h n ASN 461 N -3.31 0.00 -0.36 4.97 3.02 -0.66 -4.46 115.26 114.46 1h0h n ASN 461 Ca -0.03 -0.52 0.04 0.00 -0.03 0.00 0.00 54.58 54.04 1h0h n ASN 461 Cb 0.09 -0.05 0.10 0.00 -0.61 0.00 0.00 39.78 39.32 1h0h n ASN 461 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1h0h n PHE 462 N -1.05 0.24 0.30 3.10 7.35 -0.37 -0.50 117.46 126.53 1h0h n PHE 462 Ca 0.14 1.19 0.17 0.00 -0.76 0.00 0.00 57.45 58.19 1h0h n PHE 462 Cb 0.08 -1.00 0.95 0.00 0.35 0.00 0.00 39.48 39.87 1h0h n PHE 462 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1h0h h PRO 463 N 0.00 0.00 -0.31 -7.13 0.11 -1.87 0.89 132.00 123.69 1h0h h PRO 463 Ca 0.42 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.40 1h0h h PRO 463 Cb 0.67 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1h0h h PRO 463 CO -0.99 0.03 -0.36 0.87 -0.21 0.00 0.00 178.00 177.34 1h0h h LYS 464 N 0.00 0.71 0.15 1.05 1.57 -1.05 -2.33 116.57 116.67 1h0h h LYS 464 Ca -0.00 -0.35 -0.28 0.00 -1.87 0.00 0.00 60.65 58.15 1h0h h LYS 464 Cb 0.10 -0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.44 1h0h h LYS 464 CO 0.00 0.96 -1.19 1.88 -0.57 0.00 0.00 179.45 180.53 1h0h h TYR 465 N 0.59 0.91 -0.37 -1.35 0.05 -0.86 -2.60 116.97 113.33 1h0h h TYR 465 Ca 0.06 -0.60 -0.03 0.00 0.05 0.00 0.00 58.73 58.21 1h0h h TYR 465 Cb 0.89 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 1h0h h TYR 465 CO 0.04 1.45 0.13 0.66 -1.05 0.00 0.00 178.16 179.40 1h0h h SER 466 N 0.11 0.53 -0.52 3.88 4.64 -1.34 0.08 113.55 120.92 1h0h h SER 466 Ca -0.19 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1h0h h SER 466 Cb 1.89 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.82 1h0h h SER 466 CO 0.23 0.57 0.33 0.00 -0.87 0.00 0.00 176.83 177.09 1h0h h ALA 467 N 0.98 0.66 -0.37 5.18 0.00 -1.48 -1.06 119.26 123.17 1h0h h ALA 467 Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1h0h h ALA 467 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1h0h h ALA 467 CO -0.01 0.11 -0.19 0.77 0.00 0.00 0.00 179.25 179.93 1h0h h SER 468 N 0.70 0.69 -0.11 0.00 0.02 -1.32 0.28 113.55 113.82 1h0h h SER 468 Ca 0.19 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1h0h h SER 468 Cb -0.06 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1h0h h SER 468 CO -0.04 0.88 -0.03 0.22 -1.14 0.00 0.00 176.83 176.73 1h0h h TYR 469 N 0.62 0.25 -0.51 3.45 3.20 -0.70 -1.53 116.97 121.75 1h0h h TYR 469 Ca 0.09 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1h0h h TYR 469 Cb 0.66 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1h0h h TYR 469 CO 0.03 0.53 0.31 0.82 -1.64 0.00 0.00 178.16 178.21 1h0h h ILE 470 N -0.10 1.15 -0.07 1.81 2.04 -1.02 -2.19 117.51 119.13 1h0h h ILE 470 Ca 0.03 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1h0h h ILE 470 Cb 0.45 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1h0h h ILE 470 CO 0.01 0.15 -0.15 0.11 0.00 0.00 0.00 178.15 178.27 1h0h h LYS 471 N 0.68 0.11 0.00 2.37 1.79 -0.94 -0.60 116.57 119.97 1h0h h LYS 471 Ca 0.18 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1h0h h LYS 471 Cb -0.02 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1h0h h LYS 471 CO -0.04 0.26 -0.05 0.66 -1.08 0.00 0.00 179.45 179.21 1h0h h SER 472 N 0.10 0.00 0.02 0.86 4.64 -0.65 -2.21 113.55 116.31 1h0h h SER 472 Ca 0.02 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.94 1h0h h SER 472 Cb 0.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 1h0h h SER 472 CO 0.02 0.05 -2.29 0.23 -0.87 0.00 0.00 176.83 173.96 1h0h n MET 473 N -3.25 0.63 -3.39 4.77 2.81 -0.72 -4.76 117.12 113.21 1h0h n MET 473 Ca -0.01 0.26 -0.26 0.00 -1.81 0.00 0.00 57.70 55.88 1h0h n MET 473 Cb 0.24 -1.56 -0.08 0.00 -0.71 0.00 0.00 33.22 31.10 1h0h n MET 473 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 1h0h n TRP 474 N -3.81 1.86 0.28 2.03 8.01 -0.31 -1.17 117.44 124.32 1h0h n TRP 474 Ca -0.46 -3.90 0.16 0.00 -1.31 0.00 0.00 57.50 51.99 1h0h n TRP 474 Cb 0.92 -0.43 0.78 0.00 -2.01 0.00 0.00 31.31 30.58 1h0h n TRP 474 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1h0h h PRO 475 N 4.37 0.00 -0.02 -0.99 0.13 -1.62 -2.72 132.00 131.16 1h0h h PRO 475 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1h0h h PRO 475 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1h0h h PRO 475 CO 0.66 0.08 -0.06 -0.25 -0.23 0.00 0.00 178.00 178.19 1h0h n ASP 476 N -3.36 2.05 -4.92 1.44 8.00 -1.26 -4.91 116.55 113.60 1h0h n ASP 476 Ca -0.01 -1.63 -0.24 0.00 0.71 0.00 0.00 54.79 53.62 1h0h n ASP 476 Cb 0.24 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1h0h n ASP 476 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h0h s ALA 477 N -2.09 3.87 0.57 2.24 0.00 -1.03 -5.10 121.76 120.22 1h0h s ALA 477 Ca 0.31 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 1h0h s ALA 477 Cb 0.20 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1h0h s ALA 477 CO 0.36 0.41 0.92 0.16 0.00 0.00 0.00 175.76 177.61 1h0h s ASP 478 N -3.52 6.10 0.21 0.00 1.47 -1.26 -4.84 116.67 114.83 1h0h s ASP 478 Ca 0.34 1.11 -0.10 0.00 1.18 0.00 0.00 52.55 55.08 1h0h s ASP 478 Cb -0.10 -2.24 0.16 0.00 -0.34 0.00 0.00 42.92 40.39 1h0h s ASP 478 CO 0.28 -0.81 1.85 -0.07 0.68 0.00 0.00 175.17 177.10 1h0h h LEU 479 N -0.11 0.92 -0.44 2.11 3.38 -1.95 0.49 115.31 119.70 1h0h h LEU 479 Ca -0.45 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.46 1h0h h LEU 479 Cb 1.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1h0h h LEU 479 CO 0.62 0.71 0.28 0.78 0.09 0.00 0.00 178.44 180.92 1h0h h ASN 480 N 1.04 0.48 -0.44 -0.43 -0.26 -1.99 0.13 115.58 114.11 1h0h h ASN 480 Ca 0.27 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.88 1h0h h ASN 480 Cb -0.04 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1h0h h ASN 480 CO -0.05 0.35 -0.21 -0.33 -1.06 0.00 0.00 177.43 176.13 1h0h h GLU 481 N 0.58 0.92 -0.28 0.81 5.08 -1.81 -3.03 114.58 116.85 1h0h h GLU 481 Ca 0.17 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 1h0h h GLU 481 Cb -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1h0h h GLU 481 CO -0.05 1.06 -0.20 0.00 -1.00 0.00 0.00 179.01 178.81 1h0h h ALA 482 N 0.84 1.13 -0.51 3.43 0.00 -0.65 -2.29 119.26 121.21 1h0h h ALA 482 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1h0h h ALA 482 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1h0h h ALA 482 CO 0.06 0.54 0.24 -0.92 0.00 0.00 0.00 179.25 179.18 1h0h h TYR 483 N 0.46 0.70 0.00 0.00 3.20 -0.68 -0.57 116.97 120.08 1h0h h TYR 483 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1h0h h TYR 483 Cb 0.61 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1h0h h TYR 483 CO 0.02 0.51 0.00 0.78 -1.64 0.00 0.00 178.16 177.83 1h0h h GLY 484 N 0.81 0.00 2.00 1.82 0.00 -1.29 -2.36 103.07 104.06 1h0h h GLY 484 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1h0h h GLY 484 CO -0.02 0.00 -0.17 -0.97 0.00 0.00 0.00 176.54 175.37 1h0h h TYR 485 N 0.00 0.00 -3.22 5.60 0.05 -0.98 -3.45 116.97 114.97 1h0h h TYR 485 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1h0h h TYR 485 Cb 0.45 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.20 1h0h h TYR 485 CO 0.00 0.17 0.60 -0.51 -1.05 0.00 0.00 178.16 177.37 1h0h s LEU 486 N -6.53 4.39 0.36 3.88 1.43 -0.89 -4.86 118.68 116.46 1h0h s LEU 486 Ca 0.02 2.14 -0.27 0.00 -1.03 0.00 0.00 54.13 54.99 1h0h s LEU 486 Cb 0.09 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 1h0h s LEU 486 CO 0.63 -0.49 1.24 -2.16 0.23 0.00 0.00 176.35 175.81 1h0h s PRO 487 N 0.74 4.23 -0.17 1.29 0.04 -1.25 -4.83 135.00 135.05 1h0h s PRO 487 Ca 0.59 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 1h0h s PRO 487 Cb -0.32 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1h0h s PRO 487 CO 0.31 -0.23 -0.02 0.15 0.04 0.00 0.00 177.00 177.25 1h0h s LYS 488 N -1.97 3.67 0.42 4.56 1.02 0.31 -4.52 119.74 123.22 1h0h s LYS 488 Ca 0.52 -0.51 -0.24 0.00 0.02 0.00 0.00 55.97 55.76 1h0h s LYS 488 Cb -0.36 -2.99 -0.08 0.00 -0.52 0.00 0.00 37.83 33.88 1h0h s LYS 488 CO 0.47 0.17 1.14 0.20 -0.92 0.00 0.00 175.35 176.40 1h0h s GLY 489 N 0.57 2.81 0.36 -3.33 0.00 -0.97 -4.52 107.32 102.24 1h0h s GLY 489 Ca -0.02 0.89 -0.28 0.00 0.00 0.00 0.00 44.72 45.31 1h0h s GLY 489 CO 0.02 1.37 1.34 1.18 0.00 0.00 0.00 173.10 177.01 1h0h n GLU 490 N -0.13 2.26 -1.73 2.90 -0.58 -1.26 -0.38 120.64 121.71 1h0h n GLU 490 Ca 0.05 0.79 -0.42 0.00 -0.42 0.00 0.00 57.16 57.17 1h0h n GLU 490 Cb 0.48 -2.43 -0.02 0.00 -0.57 0.00 0.00 31.44 28.89 1h0h n GLU 490 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1h0h n ASP 491 N 0.62 3.95 0.00 1.62 8.00 -1.26 -2.18 116.55 127.30 1h0h n ASP 491 Ca 0.04 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.63 1h0h n ASP 491 Cb 0.37 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1h0h n ASP 491 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h0h n GLY 492 N 3.24 0.63 3.74 0.44 0.00 -1.26 -5.00 105.19 106.98 1h0h n GLY 492 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1h0h n GLY 492 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h0h s LYS 493 N -0.33 4.24 -0.07 1.61 2.47 -0.93 -5.05 119.74 121.68 1h0h s LYS 493 Ca 0.00 0.30 -0.25 0.00 -1.56 0.00 0.00 55.97 54.46 1h0h s LYS 493 Cb 0.00 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.94 1h0h s LYS 493 CO 0.00 0.27 0.77 0.34 0.16 0.00 0.00 175.35 176.89 1h0h s ASP 494 N 0.32 7.06 -0.16 1.43 2.15 -1.26 -4.84 116.67 121.37 1h0h s ASP 494 Ca 0.22 1.28 0.17 0.00 0.43 0.00 0.00 52.55 54.65 1h0h s ASP 494 Cb -0.14 -2.45 0.39 0.00 -0.30 0.00 0.00 42.92 40.41 1h0h s ASP 494 CO 0.08 -0.18 1.26 -1.22 -0.17 0.00 0.00 175.17 174.94 1h0h n TYR 495 N 3.99 0.36 -2.27 -5.34 4.02 -1.26 -4.79 117.16 111.87 1h0h n TYR 495 Ca 0.01 -1.01 -0.26 0.00 -0.01 0.00 0.00 57.90 56.63 1h0h n TYR 495 Cb 0.51 -0.22 0.12 0.00 -0.02 0.00 0.00 39.34 39.73 1h0h n TYR 495 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1h0h s SER 496 N -2.57 4.08 0.53 7.72 1.04 -1.26 -4.47 113.70 118.78 1h0h s SER 496 Ca 0.36 0.07 0.34 0.00 0.48 0.00 0.00 55.95 57.20 1h0h s SER 496 Cb 0.31 -0.42 1.50 0.00 0.10 0.00 0.00 66.02 67.52 1h0h s SER 496 CO 0.04 -2.07 1.83 -0.25 0.98 0.00 0.00 173.24 173.77 1h0h h TRP 497 N -0.90 0.04 -0.92 5.02 2.91 -1.95 0.30 115.95 120.45 1h0h h TRP 497 Ca -0.41 0.00 0.20 0.00 1.13 0.00 0.00 58.89 59.81 1h0h h TRP 497 Cb 1.27 -0.01 -0.11 0.00 -0.51 0.00 0.00 29.16 29.79 1h0h h TRP 497 CO -0.36 0.00 0.48 1.25 -1.03 0.00 0.00 178.44 178.78 1h0h h LEU 498 N 0.03 0.52 0.00 0.65 5.85 -1.91 -3.29 115.31 117.16 1h0h h LEU 498 Ca 0.52 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1h0h h LEU 498 Cb 2.05 0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1h0h h LEU 498 CO -0.02 0.12 -0.43 0.35 -0.34 0.00 0.00 178.44 178.11 1h0h n THR 499 N -4.93 0.00 -0.15 1.05 -2.24 -0.17 -4.53 114.28 103.32 1h0h n THR 499 Ca 0.22 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1h0h n THR 499 Cb 0.61 0.66 0.05 0.00 -2.10 0.00 0.00 70.33 69.55 1h0h n THR 499 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1h0h h LEU 500 N 0.00 -0.27 -0.72 3.22 6.46 -0.56 0.09 115.31 123.54 1h0h h LEU 500 Ca 0.00 0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.75 1h0h h LEU 500 Cb 0.00 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1h0h h LEU 500 CO 0.00 -0.09 -0.57 -0.26 -0.62 0.00 0.00 178.44 176.90 1h0h h PHE 501 N 0.09 0.27 -0.36 1.25 0.04 -1.83 -0.37 116.94 116.03 1h0h h PHE 501 Ca 0.24 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1h0h h PHE 501 Cb 0.37 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1h0h h PHE 501 CO -0.33 0.73 0.16 0.22 -0.60 0.00 0.00 178.31 178.49 1h0h h ASP 502 N 0.16 0.48 -0.67 2.17 3.58 -1.71 -0.19 116.42 120.25 1h0h h ASP 502 Ca -0.00 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.25 1h0h h ASP 502 Cb 1.05 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 1h0h h ASP 502 CO 0.09 0.48 0.18 0.44 -2.88 0.00 0.00 179.24 177.55 1h0h h ASP 503 N 0.44 1.01 -0.83 2.28 3.32 -0.87 0.35 116.42 122.13 1h0h h ASP 503 Ca 0.12 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1h0h h ASP 503 Cb 0.14 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1h0h h ASP 503 CO -0.01 0.96 0.41 -0.03 -1.72 0.00 0.00 179.24 178.85 1h0h h MET 504 N 1.03 1.18 -0.86 3.56 4.05 -0.85 -0.77 114.93 122.27 1h0h h MET 504 Ca 0.22 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1h0h h MET 504 Cb 0.34 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 1h0h h MET 504 CO -0.00 0.90 0.43 0.35 0.23 0.00 0.00 176.91 178.82 1h0h h PHE 505 N 1.17 1.22 0.00 1.39 3.57 -0.31 -2.39 116.94 121.59 1h0h h PHE 505 Ca 0.29 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1h0h h PHE 505 Cb 0.09 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.45 1h0h h PHE 505 CO 0.01 0.87 0.00 1.04 -2.23 0.00 0.00 178.31 178.00 1h0h n GLN 506 N -4.31 0.79 -0.75 1.11 1.13 0.05 -4.87 117.38 110.53 1h0h n GLN 506 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1h0h n GLN 506 Cb 0.13 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1h0h n GLN 506 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h0h n GLY 507 N 0.50 0.62 0.14 1.08 0.00 -0.90 -4.95 105.19 101.68 1h0h n GLY 507 Ca 0.14 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1h0h n GLY 507 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0h h LYS 508 N 1.69 0.00 -4.95 1.61 1.57 -1.34 -3.44 116.57 111.71 1h0h h LYS 508 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1h0h h LYS 508 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.06 1h0h h LYS 508 CO 0.00 0.00 -0.67 0.42 -0.57 0.00 0.00 179.45 178.63 1h0h s ILE 509 N -3.15 3.86 -0.15 1.86 -1.09 -1.25 -4.44 121.20 116.83 1h0h s ILE 509 Ca 0.09 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 1h0h s ILE 509 Cb 0.10 -2.82 -0.23 0.00 -1.58 0.00 0.00 42.46 37.93 1h0h s ILE 509 CO 0.64 0.33 0.24 0.29 -1.23 0.00 0.00 174.94 175.22 1h0h n LYS 510 N 4.86 0.70 -4.68 2.79 5.02 0.24 -4.48 118.16 122.61 1h0h n LYS 510 Ca -0.17 0.21 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 1h0h n LYS 510 Cb 0.51 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 1h0h n LYS 510 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h0h s GLY 511 N -5.72 1.11 -0.03 0.72 0.00 -0.36 -0.65 107.32 102.40 1h0h s GLY 511 Ca -0.21 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.46 1h0h s GLY 511 CO 0.74 -0.97 0.05 -0.12 0.00 0.00 0.00 173.10 172.81 1h0h s PHE 512 N -0.77 -0.03 -0.28 1.90 5.36 -0.74 -1.41 117.98 122.00 1h0h s PHE 512 Ca 0.08 0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 56.13 1h0h s PHE 512 Cb -0.09 -0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 1h0h s PHE 512 CO 0.02 -0.08 0.18 -0.06 -1.46 0.00 0.00 175.22 173.81 1h0h s PHE 513 N 0.78 3.20 -1.01 10.12 0.08 0.18 -1.26 117.98 130.07 1h0h s PHE 513 Ca -0.06 -0.03 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 1h0h s PHE 513 Cb -0.09 -2.37 0.25 0.00 -0.57 0.00 0.00 43.02 40.25 1h0h s PHE 513 CO -0.03 -0.22 0.96 0.00 -0.10 0.00 0.00 175.22 175.84 1h0h s ALA 514 N 1.73 4.52 -0.64 5.36 0.00 0.14 -1.03 121.76 131.84 1h0h s ALA 514 Ca 0.07 -3.82 -0.18 0.00 0.00 0.00 0.00 51.96 48.03 1h0h s ALA 514 Cb -0.16 -3.28 0.12 0.00 0.00 0.00 0.00 23.12 19.80 1h0h s ALA 514 CO 0.10 -2.18 0.73 -0.46 0.00 0.00 0.00 175.76 173.95 1h0h s TRP 515 N -1.23 3.09 -0.76 0.00 -0.11 0.26 -2.33 118.94 117.87 1h0h s TRP 515 Ca 0.29 -1.11 0.00 0.00 1.22 0.00 0.00 56.10 56.50 1h0h s TRP 515 Cb -0.09 -4.01 0.00 0.00 -1.50 0.00 0.00 33.47 27.87 1h0h s TRP 515 CO -0.10 -1.27 0.00 0.41 -4.62 0.00 0.00 176.95 171.37 1h0h n GLY 516 N 5.18 0.08 3.17 5.86 0.00 -0.13 -3.92 105.19 115.43 1h0h n GLY 516 Ca -0.05 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1h0h n GLY 516 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h0h s GLN 517 N -4.32 0.81 -0.53 1.61 -0.21 -1.26 -4.69 119.66 111.07 1h0h s GLN 517 Ca 0.00 -1.18 0.07 0.00 0.02 0.00 0.00 55.36 54.27 1h0h s GLN 517 Cb 0.00 0.28 0.29 0.00 1.00 0.00 0.00 33.01 34.58 1h0h s GLN 517 CO 0.00 -0.23 0.76 -1.71 -2.12 0.00 0.00 175.29 172.00 1h0h n ASN 518 N -0.02 2.86 0.31 5.90 5.15 -1.26 -4.94 115.26 123.26 1h0h n ASN 518 Ca -0.12 -3.31 0.20 0.00 -0.60 0.00 0.00 54.58 50.75 1h0h n ASN 518 Cb 0.62 -0.62 1.06 0.00 -0.53 0.00 0.00 39.78 40.31 1h0h n ASN 518 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1h0h h PRO 519 N 3.60 0.00 0.00 1.20 0.13 -1.98 0.13 132.00 135.09 1h0h h PRO 519 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1h0h h PRO 519 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1h0h h PRO 519 CO 0.71 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 1h0h n ALA 520 N -2.14 1.47 -0.02 -0.56 0.00 -1.26 -1.29 120.51 116.71 1h0h n ALA 520 Ca -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1h0h n ALA 520 Cb 0.14 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1h0h n ALA 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0h h SER 522 N 0.00 0.00 -4.18 0.00 4.64 -0.86 -3.41 113.55 109.75 1h0h h SER 522 Ca -0.09 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.75 1h0h h SER 522 Cb 1.19 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.32 1h0h h SER 522 CO 0.00 0.38 0.38 -0.83 -0.87 0.00 0.00 176.83 175.89 1h0h s GLY 523 N -4.64 2.16 0.66 -0.77 0.00 -0.41 -4.77 107.32 99.54 1h0h s GLY 523 Ca -0.02 0.37 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 1h0h s GLY 523 CO 0.80 0.68 1.25 0.00 0.00 0.00 0.00 173.10 175.84 1h0h s ALA 524 N -2.43 2.34 -0.86 3.20 0.00 -0.48 -4.18 121.76 119.35 1h0h s ALA 524 Ca 0.63 1.08 -0.03 0.00 0.00 0.00 0.00 51.96 53.64 1h0h s ALA 524 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1h0h s ALA 524 CO 0.34 -1.58 0.76 -1.71 0.00 0.00 0.00 175.76 173.56 1h0h n ASN 525 N -2.06 -7.10 -0.07 0.00 2.85 -0.48 -4.13 115.26 104.27 1h0h n ASN 525 Ca 0.15 -0.38 0.12 0.00 -0.11 0.00 0.00 54.58 54.36 1h0h n ASN 525 Cb 0.49 -4.87 0.50 0.00 1.24 0.00 0.00 39.78 37.14 1h0h n ASN 525 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1h0h h SER 526 N -0.18 0.36 -0.74 1.20 0.02 -0.84 -0.33 113.55 113.03 1h0h h SER 526 Ca -0.26 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1h0h h SER 526 Cb 1.14 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1h0h h SER 526 CO 0.36 0.22 0.45 0.78 -1.14 0.00 0.00 176.83 177.49 1h0h h ASN 527 N 0.40 0.89 0.61 3.07 2.35 -1.82 0.92 115.58 122.00 1h0h h ASN 527 Ca 0.26 -0.06 -0.25 0.00 -0.55 0.00 0.00 56.30 55.71 1h0h h ASN 527 Cb 0.51 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1h0h h ASN 527 CO -0.07 0.69 -1.10 0.50 -1.65 0.00 0.00 177.43 175.80 1h0h h LYS 528 N 1.02 0.25 -0.63 0.81 3.64 -1.45 -2.47 116.57 117.74 1h0h h LYS 528 Ca 0.27 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1h0h h LYS 528 Cb -0.04 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1h0h h LYS 528 CO -0.05 1.13 0.21 1.15 -2.27 0.00 0.00 179.45 179.62 1h0h h THR 529 N 0.10 1.24 -0.55 1.00 2.02 -1.00 0.11 112.91 115.83 1h0h h THR 529 Ca -0.10 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 1h0h h THR 529 Cb 1.81 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1h0h h THR 529 CO 0.18 0.32 0.11 0.03 0.37 0.00 0.00 175.52 176.53 1h0h h ARG 530 N 0.90 0.90 -0.49 6.66 3.08 -0.83 -2.22 114.38 122.38 1h0h h ARG 530 Ca 0.20 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1h0h h ARG 530 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1h0h h ARG 530 CO -0.01 0.85 0.13 1.49 -1.07 0.00 0.00 179.97 181.37 1h0h h GLU 531 N 0.79 0.72 -0.74 0.04 4.57 -1.11 -2.76 114.58 116.10 1h0h h GLU 531 Ca 0.17 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1h0h h GLU 531 Cb 0.37 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1h0h h GLU 531 CO 0.01 0.65 0.49 0.00 -1.18 0.00 0.00 179.01 178.97 1h0h h ALA 532 N 1.44 1.63 -0.04 2.92 0.00 -0.18 -1.38 119.26 123.64 1h0h h ALA 532 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1h0h h ALA 532 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h0h h ALA 532 CO -0.01 0.28 -0.16 -0.07 0.00 0.00 0.00 179.25 179.30 1h0h h LEU 533 N 0.84 0.06 -1.09 0.00 3.38 -1.15 -1.63 115.31 115.72 1h0h h LEU 533 Ca 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1h0h h LEU 533 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1h0h h LEU 533 CO -0.10 0.22 0.00 0.71 0.09 0.00 0.00 178.44 179.37 1h0h h THR 534 N 0.06 0.00 -0.00 0.22 1.35 -1.29 -2.45 112.91 110.81 1h0h h THR 534 Ca 0.01 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1h0h h THR 534 Cb 0.32 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1h0h h THR 534 CO 0.02 0.00 -0.02 0.29 -0.25 0.00 0.00 175.52 175.56 1h0h n LYS 535 N -2.40 0.31 -2.82 4.72 4.76 -0.61 -4.53 118.16 117.58 1h0h n LYS 535 Ca 0.01 -0.02 -0.39 0.00 -2.87 0.00 0.00 58.31 55.04 1h0h n LYS 535 Cb 0.19 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 1h0h n LYS 535 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1h0h s LEU 536 N -2.70 4.55 0.09 -0.35 1.43 -0.92 -4.87 118.68 115.91 1h0h s LEU 536 Ca 0.24 1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 1h0h s LEU 536 Cb 0.20 -3.64 -0.16 0.00 0.03 0.00 0.00 46.19 42.62 1h0h s LEU 536 CO 0.49 0.11 1.29 0.44 0.23 0.00 0.00 176.35 178.91 1h0h h ASP 537 N 3.91 0.91 -5.06 2.29 3.32 -1.13 -3.35 116.42 117.31 1h0h h ASP 537 Ca -0.46 -0.63 -0.10 0.00 0.02 0.00 0.00 57.03 55.86 1h0h h ASP 537 Cb 1.20 -0.27 -0.17 0.00 0.22 0.00 0.00 39.33 40.31 1h0h h ASP 537 CO 0.67 1.39 -0.29 -1.66 -1.72 0.00 0.00 179.24 177.63 1h0h s TRP 538 N -3.75 -0.05 -0.01 4.55 1.48 -0.87 -1.33 118.94 118.96 1h0h s TRP 538 Ca -0.11 -0.12 0.00 0.00 -1.06 0.00 0.00 56.10 54.81 1h0h s TRP 538 Cb 0.08 0.06 0.01 0.00 -1.16 0.00 0.00 33.47 32.46 1h0h s TRP 538 CO 0.90 -0.49 -0.01 1.41 -4.06 0.00 0.00 176.95 174.69 1h0h s MET 539 N -2.65 0.16 -0.24 3.25 1.75 -0.06 -1.79 119.30 119.72 1h0h s MET 539 Ca -0.04 -0.01 -0.06 0.00 -1.25 0.00 0.00 55.69 54.33 1h0h s MET 539 Cb -0.01 -0.23 -0.02 0.00 2.84 0.00 0.00 34.83 37.42 1h0h s MET 539 CO -0.04 -0.02 0.02 0.08 -0.65 0.00 0.00 175.02 174.41 1h0h s VAL 540 N 0.30 3.85 -0.20 10.11 1.01 -0.39 -0.98 120.40 134.10 1h0h s VAL 540 Ca -0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1h0h s VAL 540 Cb -0.05 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1h0h s VAL 540 CO -0.01 0.38 -0.14 0.21 0.00 0.00 0.00 175.10 175.54 1h0h s ASN 541 N 1.55 3.64 -0.30 3.32 3.04 0.10 -0.68 114.94 125.61 1h0h s ASN 541 Ca 0.06 -0.67 -0.03 0.00 0.04 0.00 0.00 52.86 52.26 1h0h s ASN 541 Cb -0.15 -1.57 0.04 0.00 -1.54 0.00 0.00 41.25 38.03 1h0h s ASN 541 CO 0.00 -0.03 0.02 -0.69 -3.04 0.00 0.00 177.10 173.36 1h0h s VAL 542 N 1.33 3.23 0.25 -5.21 1.01 -0.98 -1.16 120.40 118.86 1h0h s VAL 542 Ca 0.04 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 1h0h s VAL 542 Cb -0.14 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1h0h s VAL 542 CO -0.09 -0.04 0.64 0.21 0.00 0.00 0.00 175.10 175.81 1h0h s ASN 543 N 1.32 -0.27 0.13 3.32 3.84 -1.11 -0.95 114.94 121.22 1h0h s ASN 543 Ca -0.03 -0.57 -0.09 0.00 0.21 0.00 0.00 52.86 52.39 1h0h s ASN 543 Cb -0.19 0.67 -0.09 0.00 -0.55 0.00 0.00 41.25 41.09 1h0h s ASN 543 CO -0.01 -1.23 1.34 0.40 -2.79 0.00 0.00 177.10 174.82 1h0h h ILE 544 N 2.07 1.32 -3.11 -5.21 2.04 -1.88 -2.09 117.51 110.65 1h0h h ILE 544 Ca -0.23 -2.08 -0.46 0.00 1.00 0.00 0.00 64.86 63.09 1h0h h ILE 544 Cb 1.26 2.08 -0.16 0.00 -0.74 0.00 0.00 36.82 39.26 1h0h h ILE 544 CO 0.29 0.64 -0.75 -0.36 0.00 0.00 0.00 178.15 177.97 1h0h s PHE 545 N -3.65 1.69 0.69 1.37 0.08 -1.26 -4.23 117.98 112.67 1h0h s PHE 545 Ca -0.08 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.26 1h0h s PHE 545 Cb 0.09 -0.82 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1h0h s PHE 545 CO 0.88 0.31 1.23 0.34 -0.10 0.00 0.00 175.22 177.89 1h0h s ASP 546 N -2.99 4.45 0.28 1.36 2.15 -1.26 -4.99 116.67 115.66 1h0h s ASP 546 Ca 0.18 2.44 -0.20 0.00 0.43 0.00 0.00 52.55 55.40 1h0h s ASP 546 Cb -0.03 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 40.04 1h0h s ASP 546 CO 0.06 -2.10 0.82 0.54 -0.17 0.00 0.00 175.17 174.32 1h0h s ASN 547 N -1.78 -0.13 0.57 -0.34 2.20 -1.26 -5.04 114.94 109.15 1h0h s ASN 547 Ca 0.77 -0.75 0.27 0.00 -0.94 0.00 0.00 52.86 52.21 1h0h s ASN 547 Cb -0.32 0.70 1.67 0.00 -2.00 0.00 0.00 41.25 41.30 1h0h s ASN 547 CO 0.42 -1.34 2.21 -0.33 -2.94 0.00 0.00 177.10 175.12 1h0h h GLU 548 N 2.00 0.00 0.00 3.55 3.07 -1.94 -1.17 114.58 120.09 1h0h h GLU 548 Ca -0.25 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.59 1h0h h GLU 548 Cb 1.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1h0h h GLU 548 CO 0.30 0.02 -0.29 1.15 -1.40 0.00 0.00 179.01 178.80 1h0h h THR 549 N 0.00 0.36 -0.68 1.13 2.02 -1.92 -2.79 112.91 111.03 1h0h h THR 549 Ca -0.00 -1.32 0.11 0.00 0.77 0.00 0.00 66.41 65.96 1h0h h THR 549 Cb 0.05 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1h0h h THR 549 CO 0.00 0.12 0.45 1.23 0.37 0.00 0.00 175.52 177.70 1h0h h GLY 550 N -1.00 0.72 -2.97 2.16 0.00 -1.93 -2.40 103.07 97.65 1h0h h GLY 550 Ca -0.04 -0.20 -0.36 0.00 0.00 0.00 0.00 47.33 46.72 1h0h h GLY 550 CO -0.02 0.11 0.18 1.44 0.00 0.00 0.00 176.54 178.25 1h0h n SER 551 N -4.48 3.59 0.16 0.19 7.64 -0.45 -4.67 113.62 115.61 1h0h n SER 551 Ca 0.12 -3.74 0.06 0.00 1.01 0.00 0.00 58.87 56.32 1h0h n SER 551 Cb 0.39 -0.71 0.55 0.00 -1.01 0.00 0.00 64.21 63.43 1h0h n SER 551 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1h0h h PHE 552 N 1.20 0.19 0.00 1.43 -0.00 -1.13 -1.94 116.94 116.68 1h0h h PHE 552 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.37 1h0h h PHE 552 Cb 1.92 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 37.80 1h0h h PHE 552 CO 1.24 0.14 0.00 -2.67 -0.00 0.00 0.00 178.31 177.02 1h0h n TRP 553 N -4.49 0.01 -1.21 6.09 4.27 -1.26 -1.78 117.44 119.07 1h0h n TRP 553 Ca -0.01 0.01 0.09 0.00 -3.89 0.00 0.00 57.50 53.69 1h0h n TRP 553 Cb 0.10 -0.51 0.12 0.00 -1.36 0.00 0.00 31.31 29.66 1h0h n TRP 553 CO 0.00 0.00 0.00 2.89 -2.29 0.00 0.00 177.69 178.29 1h0h n ARG 554 N -1.51 1.13 -1.15 -2.67 1.85 -0.73 -3.96 116.66 109.61 1h0h n ARG 554 Ca 0.02 -2.40 -0.15 0.00 -1.00 0.00 0.00 57.85 54.32 1h0h n ARG 554 Cb 0.11 -1.37 0.10 0.00 -1.05 0.00 0.00 32.46 30.24 1h0h n ARG 554 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1h0h n GLY 555 N -1.25 -0.86 3.63 2.89 0.00 -0.73 -4.91 105.19 103.96 1h0h n GLY 555 Ca 0.14 -1.76 -0.49 0.00 0.00 0.00 0.00 46.02 43.91 1h0h n GLY 555 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h0h n PRO 556 N -2.36 1.61 -1.38 1.61 -0.02 -1.26 -1.80 135.00 131.39 1h0h n PRO 556 Ca 0.09 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1h0h n PRO 556 Cb 0.31 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1h0h n PRO 556 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1h0h n ASP 557 N 2.81 -5.24 -4.83 2.55 8.00 -1.26 -4.97 116.55 113.60 1h0h n ASP 557 Ca 0.17 0.33 -0.37 0.00 0.71 0.00 0.00 54.79 55.63 1h0h n ASP 557 Cb 0.24 -3.90 -0.06 0.00 -0.02 0.00 0.00 41.12 37.38 1h0h n ASP 557 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1h0h s MET 558 N -3.04 3.75 -0.46 -1.24 -1.94 -0.74 -5.05 119.30 110.58 1h0h s MET 558 Ca 0.00 -0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.84 1h0h s MET 558 Cb 0.00 -3.26 0.09 0.00 2.01 0.00 0.00 34.83 33.67 1h0h s MET 558 CO 0.00 0.62 0.35 0.34 -0.01 0.00 0.00 175.02 176.32 1h0h s ASP 559 N -0.64 5.87 0.50 3.03 -1.08 -1.26 -4.83 116.67 118.27 1h0h s ASP 559 Ca 0.16 -1.56 0.23 0.00 -0.52 0.00 0.00 52.55 50.86 1h0h s ASP 559 Cb -0.13 -2.08 1.30 0.00 -1.46 0.00 0.00 42.92 40.55 1h0h s ASP 559 CO 0.05 -0.64 1.97 -0.65 0.52 0.00 0.00 175.17 176.42 1h0h h PRO 560 N 8.58 0.12 0.00 4.34 0.11 -1.89 0.33 132.00 143.59 1h0h h PRO 560 Ca -0.25 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1h0h h PRO 560 Cb 1.09 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1h0h h PRO 560 CO 0.85 0.08 -0.11 1.57 -0.21 0.00 0.00 178.00 180.18 1h0h h LYS 561 N 0.13 0.00 -0.18 1.05 2.10 -1.87 -2.23 116.57 115.57 1h0h h LYS 561 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1h0h h LYS 561 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1h0h h LYS 561 CO -0.04 0.11 0.00 1.63 -2.00 0.00 0.00 179.45 179.15 1h0h n LYS 562 N -3.70 2.06 -3.75 0.07 5.02 0.10 -4.67 118.16 113.30 1h0h n LYS 562 Ca -0.02 -1.58 -0.37 0.00 -2.02 0.00 0.00 58.31 54.33 1h0h n LYS 562 Cb 0.22 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 1h0h n LYS 562 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h0h s ILE 563 N -1.78 4.23 -1.29 -0.18 1.01 -0.84 -4.98 121.20 117.38 1h0h s ILE 563 Ca 0.34 -0.33 0.27 0.00 0.00 0.00 0.00 60.65 60.94 1h0h s ILE 563 Cb 0.20 -3.04 0.24 0.00 0.01 0.00 0.00 42.46 39.87 1h0h s ILE 563 CO 0.30 0.25 1.70 2.29 0.00 0.00 0.00 174.94 179.48 1h0h n LYS 564 N 4.91 0.31 -2.11 2.79 2.85 -1.26 -1.16 118.16 124.50 1h0h n LYS 564 Ca -0.16 -0.13 -0.42 0.00 -1.05 0.00 0.00 58.31 56.55 1h0h n LYS 564 Cb 0.50 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 1h0h n LYS 564 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1h0h s THR 565 N -2.77 3.38 -0.11 0.58 2.01 -1.26 -4.28 115.64 113.19 1h0h s THR 565 Ca 0.19 0.85 -0.29 0.00 0.31 0.00 0.00 61.69 62.74 1h0h s THR 565 Cb 0.19 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1h0h s THR 565 CO 0.57 0.01 1.01 -0.70 -0.69 0.00 0.00 174.62 174.82 1h0h s GLU 566 N 2.20 4.41 -0.12 4.92 2.12 -0.44 -4.34 118.70 127.45 1h0h s GLU 566 Ca 0.67 1.39 0.02 0.00 0.36 0.00 0.00 54.97 57.41 1h0h s GLU 566 Cb -0.35 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1h0h s GLU 566 CO 0.29 -0.34 -0.19 0.08 -0.54 0.00 0.00 175.26 174.57 1h0h s VAL 567 N 2.09 2.54 -0.33 3.70 1.01 -0.47 -0.88 120.40 128.06 1h0h s VAL 567 Ca 0.48 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1h0h s VAL 567 Cb -0.18 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.22 1h0h s VAL 567 CO 0.17 0.54 0.09 -0.36 0.00 0.00 0.00 175.10 175.54 1h0h s PHE 568 N 0.37 3.27 -0.26 5.22 0.08 -0.15 -0.77 117.98 125.73 1h0h s PHE 568 Ca -0.15 -1.53 -0.10 0.00 0.12 0.00 0.00 56.93 55.27 1h0h s PHE 568 Cb -0.17 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 1h0h s PHE 568 CO 0.07 -0.75 0.15 0.12 -0.10 0.00 0.00 175.22 174.71 1h0h s PHE 569 N 1.37 3.20 -0.35 0.36 5.36 0.90 -0.72 117.98 128.10 1h0h s PHE 569 Ca -0.02 0.00 -0.02 0.00 -0.96 0.00 0.00 56.93 55.93 1h0h s PHE 569 Cb -0.20 -2.32 0.08 0.00 -0.34 0.00 0.00 43.02 40.24 1h0h s PHE 569 CO 0.02 -0.16 0.09 -0.51 -1.46 0.00 0.00 175.22 173.20 1h0h s LEU 570 N 1.57 4.56 0.09 6.12 1.43 -0.31 -1.36 118.68 130.77 1h0h s LEU 570 Ca 0.07 -1.65 -0.31 0.00 -1.03 0.00 0.00 54.13 51.20 1h0h s LEU 570 Cb -0.15 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 1h0h s LEU 570 CO 0.08 -0.39 1.53 -2.16 0.23 0.00 0.00 176.35 175.64 1h0h s PRO 571 N 1.18 4.24 0.40 1.29 0.04 -1.26 -2.73 135.00 138.16 1h0h s PRO 571 Ca 0.02 2.22 0.08 0.00 0.04 0.00 0.00 61.00 63.36 1h0h s PRO 571 Cb -0.21 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 1h0h s PRO 571 CO -0.03 -0.62 0.34 0.00 0.04 0.00 0.00 177.00 176.74 1h0h s ALA 573 N -2.45 2.35 0.33 0.00 0.00 -1.10 -4.65 121.76 116.25 1h0h s ALA 573 Ca 0.46 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1h0h s ALA 573 Cb -0.03 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1h0h s ALA 573 CO 0.27 -1.64 0.40 0.14 0.00 0.00 0.00 175.76 174.92 1h0h s VAL 574 N -2.94 3.95 0.27 0.00 -7.23 -1.26 -4.90 120.40 108.30 1h0h s VAL 574 Ca 0.60 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1h0h s VAL 574 Cb -0.16 -3.35 0.26 0.00 0.56 0.00 0.00 36.38 33.68 1h0h s VAL 574 CO 0.56 -0.17 1.73 0.00 -0.31 0.00 0.00 175.10 176.90 1h0h h ALA 575 N 1.04 1.32 0.00 1.32 0.00 -1.95 -0.40 119.26 120.59 1h0h h ALA 575 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1h0h h ALA 575 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1h0h h ALA 575 CO 0.55 -0.21 0.00 0.44 0.00 0.00 0.00 179.25 180.03 1h0h n ILE 576 N -4.96 0.41 -0.37 0.00 -5.35 -1.26 -1.77 119.36 106.07 1h0h n ILE 576 Ca 0.19 0.10 0.11 0.00 -0.27 0.00 0.00 62.75 62.88 1h0h n ILE 576 Cb 0.52 -0.76 0.33 0.00 -1.74 0.00 0.00 39.64 37.99 1h0h n ILE 576 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1h0h n GLU 577 N -1.32 3.04 -4.24 6.28 1.02 -0.16 -0.34 120.64 124.91 1h0h n GLU 577 Ca 0.09 -2.66 -0.20 0.00 -0.02 0.00 0.00 57.16 54.38 1h0h n GLU 577 Cb 0.18 -1.68 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 1h0h n GLU 577 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1h0h s LYS 578 N -1.34 1.01 -0.14 3.49 1.02 -0.73 -4.27 119.74 118.77 1h0h s LYS 578 Ca 0.49 -1.16 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1h0h s LYS 578 Cb 0.28 -1.02 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1h0h s LYS 578 CO 0.29 0.22 -0.19 -2.00 -0.92 0.00 0.00 175.35 172.75 1h0h s GLU 579 N -2.26 3.12 0.00 1.68 2.12 -1.26 -3.13 118.70 118.97 1h0h s GLU 579 Ca 0.06 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1h0h s GLU 579 Cb -0.07 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1h0h s GLU 579 CO 0.03 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1h0h n GLY 580 N 4.02 -0.91 3.41 -1.50 0.00 -0.98 -4.74 105.19 104.49 1h0h n GLY 580 Ca -0.19 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1h0h n GLY 580 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h0h s SER 581 N -4.00 3.25 0.01 1.61 1.04 -1.26 0.14 113.70 114.49 1h0h s SER 581 Ca 0.00 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1h0h s SER 581 Cb 0.00 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 1h0h s SER 581 CO 0.00 0.04 -0.04 0.27 0.98 0.00 0.00 173.24 174.50 1h0h s ILE 582 N -2.10 0.24 -0.22 -1.02 -4.36 -0.84 0.02 121.20 112.92 1h0h s ILE 582 Ca 0.22 -0.48 -0.06 0.00 -0.26 0.00 0.00 60.65 60.07 1h0h s ILE 582 Cb -0.06 -0.27 -0.02 0.00 1.25 0.00 0.00 42.46 43.35 1h0h s ILE 582 CO 0.10 -0.16 0.03 -0.44 0.24 0.00 0.00 174.94 174.71 1h0h s SER 583 N -0.68 4.92 1.02 4.36 0.01 -1.26 -0.72 113.70 121.36 1h0h s SER 583 Ca -0.05 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 1h0h s SER 583 Cb -0.05 -1.86 0.09 0.00 0.21 0.00 0.00 66.02 64.41 1h0h s SER 583 CO -0.00 0.01 0.46 -0.46 0.41 0.00 0.00 173.24 173.67 1h0h n ASN 584 N 4.59 -0.30 0.19 2.44 6.94 -0.38 -4.13 115.26 124.61 1h0h n ASN 584 Ca -0.17 -1.07 0.04 0.00 -0.02 0.00 0.00 54.58 53.36 1h0h n ASN 584 Cb 0.51 -0.37 0.43 0.00 -2.36 0.00 0.00 39.78 38.00 1h0h n ASN 584 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1h0h h SER 585 N -0.87 0.05 -0.12 0.53 0.87 -1.50 -1.48 113.55 111.02 1h0h h SER 585 Ca -0.16 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1h0h h SER 585 Cb 0.44 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1h0h h SER 585 CO 0.11 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.30 1h0h n GLY 586 N -0.80 -0.21 2.38 5.77 0.00 -1.26 -4.35 105.19 106.72 1h0h n GLY 586 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1h0h n GLY 586 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h0h n ARG 587 N -0.11 -0.88 -2.60 1.61 1.74 -0.56 -4.85 116.66 111.00 1h0h n ARG 587 Ca 0.04 0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 57.57 1h0h n ARG 587 Cb 0.13 -4.89 -0.02 0.00 -1.02 0.00 0.00 32.46 26.67 1h0h n ARG 587 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1h0h s TRP 588 N -2.37 3.09 -0.36 -1.55 0.52 -1.26 -2.23 118.94 114.79 1h0h s TRP 588 Ca 0.00 1.17 -0.22 0.00 0.02 0.00 0.00 56.10 57.07 1h0h s TRP 588 Cb 0.00 -3.67 0.01 0.00 -1.15 0.00 0.00 33.47 28.66 1h0h s TRP 588 CO 0.00 -0.91 0.73 1.41 0.02 0.00 0.00 176.95 178.21 1h0h s MET 589 N 3.67 3.73 -0.16 4.98 -2.45 0.25 -1.25 119.30 128.07 1h0h s MET 589 Ca 0.47 0.23 -0.00 0.00 -1.25 0.00 0.00 55.69 55.14 1h0h s MET 589 Cb -0.13 -3.81 -0.00 0.00 1.25 0.00 0.00 34.83 32.13 1h0h s MET 589 CO 0.15 -0.81 -0.14 -0.65 1.05 0.00 0.00 175.02 174.63 1h0h s GLN 590 N 2.97 3.26 0.05 4.11 -0.21 0.11 -3.30 119.66 126.64 1h0h s GLN 590 Ca 0.29 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 54.65 1h0h s GLN 590 Cb -0.14 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 1h0h s GLN 590 CO 0.16 0.01 0.98 -0.46 -2.12 0.00 0.00 175.29 173.86 1h0h s TRP 591 N 0.84 3.72 0.23 0.91 -0.11 -0.69 -1.99 118.94 121.86 1h0h s TRP 591 Ca -0.04 1.73 0.11 0.00 1.22 0.00 0.00 56.10 59.12 1h0h s TRP 591 Cb -0.15 -3.10 -0.05 0.00 -1.50 0.00 0.00 33.47 28.67 1h0h s TRP 591 CO -0.00 0.05 -0.20 1.03 -4.62 0.00 0.00 176.95 173.21 1h0h s ARG 592 N 0.57 1.67 0.22 5.86 0.52 0.12 -4.86 118.95 123.06 1h0h s ARG 592 Ca 0.50 -1.60 0.09 0.00 -0.52 0.00 0.00 55.73 54.20 1h0h s ARG 592 Cb -0.22 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1h0h s ARG 592 CO 0.29 0.37 -0.17 0.71 0.02 0.00 0.00 175.30 176.52 1h0h s TYR 593 N -2.06 1.93 0.01 -0.53 2.02 -1.10 -2.31 117.35 115.31 1h0h s TYR 593 Ca 0.26 -0.47 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 1h0h s TYR 593 Cb -0.07 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 1h0h s TYR 593 CO 0.13 0.47 1.35 0.08 -1.57 0.00 0.00 175.55 176.02 1h0h s VAL 594 N -2.62 3.76 0.00 0.71 1.01 -1.18 -4.51 120.40 117.56 1h0h s VAL 594 Ca 0.24 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1h0h s VAL 594 Cb -0.03 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1h0h s VAL 594 CO 0.09 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1h0h n GLY 595 N 3.55 0.21 3.79 4.51 0.00 0.54 -4.93 105.19 112.85 1h0h n GLY 595 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1h0h n GLY 595 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h0h s PRO 596 N 0.21 3.16 0.76 1.61 0.04 -1.25 -4.92 135.00 134.61 1h0h s PRO 596 Ca 0.00 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 1h0h s PRO 596 Cb 0.00 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1h0h s PRO 596 CO 0.00 -0.95 1.09 -1.83 0.04 0.00 0.00 177.00 175.35 1h0h s GLU 597 N -3.90 2.32 -0.07 4.56 -1.05 -0.96 -4.16 118.70 115.43 1h0h s GLU 597 Ca 0.66 1.20 -0.35 0.00 -0.15 0.00 0.00 54.97 56.34 1h0h s GLU 597 Cb -0.19 -1.90 -0.13 0.00 -0.44 0.00 0.00 34.13 31.47 1h0h s GLU 597 CO 0.36 -1.60 1.80 -2.30 0.95 0.00 0.00 175.26 174.47 1h0h n PRO 598 N -3.37 2.01 -1.65 -4.83 -0.02 -1.26 -4.84 135.00 121.03 1h0h n PRO 598 Ca 0.09 0.74 -0.47 0.00 -2.02 0.00 0.00 63.50 61.84 1h0h n PRO 598 Cb 0.53 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 1h0h n PRO 598 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1h0h n ARG 599 N 5.87 1.93 -1.73 -0.52 0.63 -1.26 -4.69 116.66 116.88 1h0h n ARG 599 Ca 0.22 0.69 -0.42 0.00 -0.92 0.00 0.00 57.85 57.42 1h0h n ARG 599 Cb 0.27 -2.42 -0.02 0.00 0.45 0.00 0.00 32.46 30.74 1h0h n ARG 599 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1h0h n LYS 600 N 3.06 2.62 -1.88 -0.14 4.76 -1.26 -0.36 118.16 124.96 1h0h n LYS 600 Ca 0.17 0.93 -0.27 0.00 -2.87 0.00 0.00 58.31 56.27 1h0h n LYS 600 Cb 0.27 -2.71 0.03 0.00 -1.84 0.00 0.00 35.03 30.78 1h0h n LYS 600 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1h0h n ASN 601 N 2.54 5.68 -4.74 4.39 3.02 0.85 -4.62 115.26 122.38 1h0h n ASN 601 Ca 0.11 -3.76 -0.34 0.00 -0.03 0.00 0.00 54.58 50.56 1h0h n ASN 601 Cb 0.35 -0.53 0.07 0.00 -0.61 0.00 0.00 39.78 39.07 1h0h n ASN 601 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h0h s ALA 602 N -3.67 2.27 -0.04 5.41 0.00 0.51 -4.87 121.76 121.38 1h0h s ALA 602 Ca 0.54 0.72 0.04 0.00 0.00 0.00 0.00 51.96 53.26 1h0h s ALA 602 Cb 0.44 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 1h0h s ALA 602 CO 0.00 -1.61 -0.16 0.42 0.00 0.00 0.00 175.76 174.41 1h0h s ILE 603 N -2.16 1.31 0.66 0.00 1.01 -1.01 -4.72 121.20 116.29 1h0h s ILE 603 Ca 0.71 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 1h0h s ILE 603 Cb -0.25 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 1h0h s ILE 603 CO 0.44 0.38 1.27 -2.84 0.00 0.00 0.00 174.94 174.18 1h0h s PRO 604 N -0.01 2.49 0.24 2.79 0.02 -1.26 -2.70 135.00 136.57 1h0h s PRO 604 Ca -0.02 1.98 -0.05 0.00 0.02 0.00 0.00 61.00 62.92 1h0h s PRO 604 Cb -0.10 -1.85 0.36 0.00 0.02 0.00 0.00 34.50 32.93 1h0h s PRO 604 CO 0.01 -1.62 1.81 -0.44 -0.33 0.00 0.00 177.00 176.43 1h0h h ASP 605 N 0.39 0.64 -0.67 2.53 3.32 -1.97 -2.56 116.42 118.10 1h0h h ASP 605 Ca -0.50 0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.66 1h0h h ASP 605 Cb 1.32 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.73 1h0h h ASP 605 CO 0.52 0.38 0.36 1.23 -1.72 0.00 0.00 179.24 180.02 1h0h h GLY 606 N 0.77 0.99 1.47 2.75 0.00 -1.92 -0.27 103.07 106.86 1h0h h GLY 606 Ca 0.37 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.31 1h0h h GLY 606 CO -0.23 0.13 -0.49 -0.55 0.00 0.00 0.00 176.54 175.40 1h0h h ASP 607 N 0.65 0.62 -0.61 0.19 3.32 -1.84 -1.35 116.42 117.40 1h0h h ASP 607 Ca 0.31 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1h0h h ASP 607 Cb 0.24 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1h0h h ASP 607 CO -0.21 1.00 0.36 -0.07 -1.72 0.00 0.00 179.24 178.60 1h0h h LEU 608 N 0.45 0.57 -0.48 1.55 3.38 -0.93 0.20 115.31 120.05 1h0h h LEU 608 Ca 0.02 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1h0h h LEU 608 Cb 1.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1h0h h LEU 608 CO 0.09 0.39 0.07 0.40 0.09 0.00 0.00 178.44 179.48 1h0h h ILE 609 N 0.70 1.25 -0.38 1.22 2.04 -0.95 -0.61 117.51 120.77 1h0h h ILE 609 Ca 0.25 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1h0h h ILE 609 Cb 0.07 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1h0h h ILE 609 CO -0.13 0.33 0.24 0.58 0.00 0.00 0.00 178.15 179.17 1h0h h VAL 610 N 0.66 1.12 -0.52 1.67 2.07 -0.98 -0.20 116.25 120.07 1h0h h VAL 610 Ca 0.14 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1h0h h VAL 610 Cb 0.40 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1h0h h VAL 610 CO 0.01 0.12 0.00 -0.33 0.02 0.00 0.00 177.57 177.39 1h0h h GLU 611 N 0.51 0.88 -0.17 1.57 4.39 -0.75 -1.49 114.58 119.51 1h0h h GLU 611 Ca 0.14 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 1h0h h GLU 611 Cb -0.01 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1h0h h GLU 611 CO -0.03 0.87 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.29 1h0h h LEU 612 N 0.81 0.60 -0.46 1.33 3.38 -0.82 -2.68 115.31 117.47 1h0h h LEU 612 Ca 0.15 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1h0h h LEU 612 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1h0h h LEU 612 CO 0.02 1.04 0.23 0.00 0.09 0.00 0.00 178.44 179.82 1h0h h ALA 613 N 0.58 0.60 -0.49 1.53 0.00 -0.93 -0.61 119.26 119.94 1h0h h ALA 613 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1h0h h ALA 613 Cb 0.94 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1h0h h ALA 613 CO 0.08 0.15 -0.06 0.87 0.00 0.00 0.00 179.25 180.29 1h0h h LYS 614 N 0.61 0.86 -0.37 0.00 1.57 -1.31 0.19 116.57 118.13 1h0h h LYS 614 Ca 0.16 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1h0h h LYS 614 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1h0h h LYS 614 CO -0.02 0.90 -0.24 0.00 -0.57 0.00 0.00 179.45 179.52 1h0h h ARG 615 N 0.79 0.81 -0.45 3.15 3.08 -1.20 -1.87 114.38 118.69 1h0h h ARG 615 Ca 0.14 -0.38 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1h0h h ARG 615 Cb 0.56 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1h0h h ARG 615 CO 0.03 1.01 -0.14 0.28 -1.07 0.00 0.00 179.97 180.09 1h0h h VAL 616 N 0.61 1.26 -0.96 2.04 2.07 -0.85 -1.68 116.25 118.74 1h0h h VAL 616 Ca 0.07 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.38 1h0h h VAL 616 Cb 0.80 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1h0h h VAL 616 CO 0.07 0.42 0.63 1.56 0.02 0.00 0.00 177.57 180.27 1h0h h GLN 617 N 0.75 1.22 -0.17 1.57 4.20 -0.78 -1.31 115.11 120.59 1h0h h GLN 617 Ca 0.12 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 1h0h h GLN 617 Cb 0.65 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1h0h h GLN 617 CO 0.05 0.80 -0.58 0.87 -0.67 0.00 0.00 178.83 179.30 1h0h h LYS 618 N 1.25 0.53 -0.33 1.46 1.57 -0.95 -0.25 116.57 119.86 1h0h h LYS 618 Ca 0.37 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1h0h h LYS 618 Cb -0.06 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1h0h h LYS 618 CO -0.10 0.97 0.13 -0.07 -0.57 0.00 0.00 179.45 179.81 1h0h h LEU 619 N 0.40 0.45 -1.31 2.94 3.38 -0.92 -2.62 115.31 117.63 1h0h h LEU 619 Ca -0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1h0h h LEU 619 Cb 1.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1h0h h LEU 619 CO 0.11 0.49 -0.20 -0.07 0.09 0.00 0.00 178.44 178.86 1h0h h LEU 620 N 0.38 0.00 -0.68 1.67 -0.00 -1.08 -0.35 115.31 115.25 1h0h h LEU 620 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.85 1h0h h LEU 620 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1h0h h LEU 620 CO -0.01 0.20 -0.58 0.00 -0.00 0.00 0.00 178.44 178.05 1h0h h ALA 621 N 1.80 0.87 0.21 1.53 0.00 -0.87 -2.88 119.26 119.92 1h0h h ALA 621 Ca -0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 54.91 54.04 1h0h h ALA 621 Cb 0.65 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.37 1h0h h ALA 621 CO 0.03 0.71 -1.61 0.87 0.00 0.00 0.00 179.25 179.25 1h0h h LYS 622 N 0.19 0.44 -3.02 0.00 1.57 -1.09 -3.42 116.57 111.24 1h0h h LYS 622 Ca -0.00 -0.75 -0.60 0.00 -1.87 0.00 0.00 60.65 57.42 1h0h h LYS 622 Cb 1.07 0.28 -0.40 0.00 0.08 0.00 0.00 32.23 33.27 1h0h h LYS 622 CO 0.09 1.35 -0.75 0.99 -0.57 0.00 0.00 179.45 180.56 1h0h s THR 623 N -2.59 1.20 0.31 -0.16 2.01 -0.18 -5.03 115.64 111.21 1h0h s THR 623 Ca -0.12 -2.32 0.25 0.00 0.31 0.00 0.00 61.69 59.81 1h0h s THR 623 Cb 0.05 -1.85 0.26 0.00 0.01 0.00 0.00 72.50 70.96 1h0h s THR 623 CO 0.89 -0.88 1.96 1.55 -0.69 0.00 0.00 174.62 177.46 1h0h h PRO 624 N 6.93 0.00 0.00 4.92 0.13 -1.76 -3.39 132.00 138.83 1h0h h PRO 624 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1h0h h PRO 624 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1h0h h PRO 624 CO 0.46 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1h0h n GLY 625 N -0.36 1.01 0.21 1.56 0.00 -1.26 -3.08 105.19 103.27 1h0h n GLY 625 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 1h0h n GLY 625 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0h h LYS 626 N 0.00 0.38 -0.88 1.61 1.57 -1.95 -3.41 116.57 113.89 1h0h h LYS 626 Ca 0.00 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1h0h h LYS 626 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 1h0h h LYS 626 CO 0.00 0.74 -0.44 -1.17 -0.57 0.00 0.00 179.45 178.01 1h0h s LEU 627 N -8.35 -1.29 0.35 2.94 2.96 -1.24 -5.01 118.68 109.04 1h0h s LEU 627 Ca -0.06 -1.50 0.19 0.00 -0.22 0.00 0.00 54.13 52.54 1h0h s LEU 627 Cb 0.13 1.68 0.35 0.00 0.50 0.00 0.00 46.19 48.85 1h0h s LEU 627 CO 0.80 -0.05 1.58 0.00 -1.32 0.00 0.00 176.35 177.35 1h0h h ALA 628 N 4.97 0.82 -0.55 5.97 0.00 -1.78 -3.40 119.26 125.30 1h0h h ALA 628 Ca 0.05 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1h0h h ALA 628 Cb 1.12 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 1h0h h ALA 628 CO -0.00 0.43 -0.14 0.00 0.00 0.00 0.00 179.25 179.53 1h0h h ALA 629 N 1.66 0.35 -0.33 0.00 0.00 -1.95 -0.76 119.26 118.22 1h0h h ALA 629 Ca -0.00 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1h0h h ALA 629 Cb 1.14 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1h0h h ALA 629 CO 0.04 -0.44 0.05 -1.35 0.00 0.00 0.00 179.25 177.55 1h0h h PRO 630 N -0.01 0.49 0.21 0.00 0.11 -1.83 -0.50 132.00 130.48 1h0h h PRO 630 Ca 0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1h0h h PRO 630 Cb 0.41 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1h0h h PRO 630 CO -0.57 0.48 -0.10 0.28 -0.21 0.00 0.00 178.00 177.88 1h0h h VAL 631 N 0.48 0.81 0.00 3.15 2.07 -1.19 -3.18 116.25 118.40 1h0h h VAL 631 Ca 0.11 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1h0h h VAL 631 Cb 0.24 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1h0h h VAL 631 CO 0.00 0.18 -0.30 0.71 0.02 0.00 0.00 177.57 178.18 1h0h h THR 632 N -0.79 0.60 0.00 2.57 1.35 -1.10 -3.20 112.91 112.34 1h0h h THR 632 Ca -0.03 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1h0h h THR 632 Cb 0.51 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1h0h h THR 632 CO 0.05 0.30 -0.50 0.29 -0.25 0.00 0.00 175.52 175.40 1h0h n LYS 633 N -3.29 0.06 -1.68 4.72 5.02 -0.20 -4.88 118.16 117.90 1h0h n LYS 633 Ca 0.01 0.01 -0.45 0.00 -2.02 0.00 0.00 58.31 55.87 1h0h n LYS 633 Cb 0.56 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 1h0h n LYS 633 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1h0h n LEU 634 N -1.62 3.42 -3.80 -0.35 7.94 -1.20 -4.70 117.00 116.69 1h0h n LEU 634 Ca 0.05 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 1h0h n LEU 634 Cb 0.36 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1h0h n LEU 634 CO 0.35 -0.12 2.39 1.17 -1.11 0.00 0.00 177.39 180.07 1h0h n LYS 635 N 3.81 3.16 0.29 1.96 3.00 -0.32 -4.70 118.16 125.36 1h0h n LYS 635 Ca 0.17 -2.97 0.19 0.00 -0.00 0.00 0.00 58.31 55.69 1h0h n LYS 635 Cb 0.31 -3.15 0.82 0.00 0.00 0.00 0.00 35.03 33.01 1h0h n LYS 635 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1h0h h THR 636 N 3.93 0.00 -0.04 3.15 1.35 -1.88 -2.31 112.91 117.10 1h0h h THR 636 Ca 0.50 -0.36 0.01 0.00 -0.55 0.00 0.00 66.41 66.01 1h0h h THR 636 Cb 0.64 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1h0h h THR 636 CO 1.78 0.00 0.04 0.44 -0.25 0.00 0.00 175.52 177.53 1h0h h ASP 637 N 0.00 0.00 0.50 5.36 3.32 -1.94 0.10 116.42 123.77 1h0h h ASP 637 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h0h h ASP 637 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1h0h h ASP 637 CO 0.00 0.00 0.00 1.88 -1.72 0.00 0.00 179.24 179.40 1h0h h TYR 638 N 0.00 0.00 0.00 4.55 0.05 -1.82 -3.14 116.97 116.61 1h0h h TYR 638 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1h0h h TYR 638 Cb 0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1h0h h TYR 638 CO 0.00 0.00 -0.89 0.91 -1.05 0.00 0.00 178.16 177.13 1h0h n TRP 639 N -2.86 0.06 -4.35 4.88 8.01 0.35 -4.23 117.44 119.30 1h0h n TRP 639 Ca -0.01 0.02 -0.21 0.00 -1.31 0.00 0.00 57.50 55.99 1h0h n TRP 639 Cb 0.18 -0.20 -0.11 0.00 -2.01 0.00 0.00 31.31 29.17 1h0h n TRP 639 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 1h0h s VAL 640 N -3.07 1.88 0.05 -0.99 -7.23 -1.19 -1.16 120.40 108.69 1h0h s VAL 640 Ca 0.07 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1h0h s VAL 640 Cb 0.16 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1h0h s VAL 640 CO 0.80 -0.38 0.06 -0.46 -0.31 0.00 0.00 175.10 174.82 1h0h n ASN 641 N 0.07 -0.23 0.19 4.85 0.23 0.08 -4.84 115.26 115.61 1h0h n ASN 641 Ca -0.11 -0.91 0.14 0.00 -0.53 0.00 0.00 54.58 53.16 1h0h n ASN 641 Cb 0.58 -0.05 0.54 0.00 -2.08 0.00 0.00 39.78 38.77 1h0h n ASN 641 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1h0h h ASP 642 N -0.31 0.00 -0.20 0.53 3.32 -1.98 -2.46 116.42 115.31 1h0h h ASP 642 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1h0h h ASP 642 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1h0h h ASP 642 CO 0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.94 1h0h n HIS 643 N -2.61 0.26 -0.99 4.55 8.25 -1.26 -4.94 115.22 118.48 1h0h n HIS 643 Ca 0.02 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1h0h n HIS 643 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1h0h n HIS 643 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h0h n GLY 644 N 1.14 0.65 3.92 -1.41 0.00 -0.93 -5.04 105.19 103.52 1h0h n GLY 644 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1h0h n GLY 644 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h0h s HIS 645 N -2.57 3.49 -0.07 1.61 3.76 -1.26 -4.78 115.29 115.47 1h0h s HIS 645 Ca 0.00 0.34 -0.39 0.00 -0.15 0.00 0.00 55.06 54.86 1h0h s HIS 645 Cb 0.00 -1.84 -0.17 0.00 1.11 0.00 0.00 32.58 31.67 1h0h s HIS 645 CO 0.00 0.44 1.42 0.34 -0.85 0.00 0.00 174.74 176.09 1h0h n PHE 646 N -0.34 1.53 -3.97 1.40 7.35 -1.26 -0.74 117.46 121.42 1h0h n PHE 646 Ca -0.05 0.72 -0.31 0.00 -0.76 0.00 0.00 57.45 57.06 1h0h n PHE 646 Cb 0.53 -2.32 -0.15 0.00 0.35 0.00 0.00 39.48 37.89 1h0h n PHE 646 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1h0h s ASP 647 N 1.41 4.34 0.40 -2.13 -1.08 -0.31 -4.76 116.67 114.53 1h0h s ASP 647 Ca 0.91 -1.65 0.12 0.00 -0.52 0.00 0.00 52.55 51.41 1h0h s ASP 647 Cb -1.08 -1.37 0.81 0.00 -1.46 0.00 0.00 42.92 39.81 1h0h s ASP 647 CO 0.56 -0.31 1.89 1.55 0.52 0.00 0.00 175.17 179.39 1h0h h PRO 648 N 7.81 0.07 -0.22 4.34 0.13 -1.85 -1.59 132.00 140.68 1h0h h PRO 648 Ca -0.12 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1h0h h PRO 648 Cb 1.04 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1h0h h PRO 648 CO 0.47 0.32 -0.16 0.45 -0.23 0.00 0.00 178.00 178.85 1h0h h HIS 649 N 0.06 0.60 -0.17 1.56 3.86 -1.94 0.50 115.15 119.62 1h0h h HIS 649 Ca 0.01 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1h0h h HIS 649 Cb 0.49 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1h0h h HIS 649 CO 0.00 0.82 0.11 0.87 0.86 0.00 0.00 177.93 180.59 1h0h h LYS 650 N 0.21 0.21 -0.47 2.45 1.57 -1.80 -0.90 116.57 117.84 1h0h h LYS 650 Ca 0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1h0h h LYS 650 Cb 0.69 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1h0h h LYS 650 CO 0.04 0.14 0.19 0.82 -0.57 0.00 0.00 179.45 180.07 1h0h h ILE 651 N 0.22 1.21 -0.48 1.86 2.04 -1.24 -1.54 117.51 119.57 1h0h h ILE 651 Ca 0.07 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1h0h h ILE 651 Cb -0.01 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1h0h h ILE 651 CO -0.02 0.24 0.32 0.00 0.00 0.00 0.00 178.15 178.68 1h0h h ALA 652 N 1.03 1.72 -0.13 1.87 0.00 -0.78 0.14 119.26 123.11 1h0h h ALA 652 Ca 0.16 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1h0h h ALA 652 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1h0h h ALA 652 CO -0.01 0.24 -0.52 0.87 0.00 0.00 0.00 179.25 179.83 1h0h h LYS 653 N 0.59 0.37 -0.49 0.00 1.57 -0.73 -1.27 116.57 116.60 1h0h h LYS 653 Ca 0.19 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1h0h h LYS 653 Cb 0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1h0h h LYS 653 CO -0.04 0.80 -0.19 1.25 -0.57 0.00 0.00 179.45 180.69 1h0h h LEU 654 N 0.29 1.03 -0.85 2.94 5.85 -0.25 0.43 115.31 124.74 1h0h h LEU 654 Ca 0.01 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1h0h h LEU 654 Cb 1.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1h0h h LEU 654 CO 0.09 1.18 0.41 0.40 -0.34 0.00 0.00 178.44 180.17 1h0h h ILE 655 N 0.86 1.26 0.05 4.05 2.04 -0.63 0.29 117.51 125.43 1h0h h ILE 655 Ca 0.12 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1h0h h ILE 655 Cb 0.77 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1h0h h ILE 655 CO 0.06 0.32 -0.02 -1.13 0.00 0.00 0.00 178.15 177.38 1h0h h ASN 656 N 1.22 -0.05 -5.00 1.72 -1.24 -1.03 -2.68 115.58 108.52 1h0h h ASN 656 Ca 0.29 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1h0h h ASN 656 Cb 0.13 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1h0h h ASN 656 CO -0.04 0.30 0.00 0.61 -1.29 0.00 0.00 177.43 177.01 1h0h n GLY 657 N -0.17 2.70 3.34 1.57 0.00 0.15 -4.18 105.19 108.60 1h0h n GLY 657 Ca -0.08 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 1h0h n GLY 657 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h0h s PHE 658 N -2.38 0.62 0.09 1.61 -0.12 -1.20 -0.39 117.98 116.21 1h0h s PHE 658 Ca 0.00 -0.95 -0.30 0.00 -0.05 0.00 0.00 56.93 55.63 1h0h s PHE 658 Cb 0.00 -0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.17 1h0h s PHE 658 CO 0.00 -0.74 1.15 0.00 -0.05 0.00 0.00 175.22 175.57 1h0h s ALA 659 N -4.03 3.36 -0.18 1.99 0.00 0.26 -1.63 121.76 121.52 1h0h s ALA 659 Ca 0.24 0.81 0.20 0.00 0.00 0.00 0.00 51.96 53.21 1h0h s ALA 659 Cb 0.04 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1h0h s ALA 659 CO 0.05 -0.35 0.93 1.28 0.00 0.00 0.00 175.76 177.67 1h0h n LEU 660 N 3.50 0.85 -3.89 0.00 4.77 0.75 -0.05 117.00 122.93 1h0h n LEU 660 Ca 0.07 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1h0h n LEU 660 Cb 0.47 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1h0h n LEU 660 CO 0.55 -0.03 -0.09 -1.59 -1.33 0.00 0.00 177.39 174.90 1h0h s LYS 661 N -3.15 0.91 0.40 3.23 -2.85 -1.21 -4.80 119.74 112.27 1h0h s LYS 661 Ca -0.02 -1.02 -0.26 0.00 -1.00 0.00 0.00 55.97 53.67 1h0h s LYS 661 Cb 0.09 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 1h0h s LYS 661 CO 0.80 -0.30 1.28 -0.51 0.10 0.00 0.00 175.35 176.72 1h0h s ASP 662 N -2.89 6.35 0.21 0.03 1.01 -1.26 -4.13 116.67 115.99 1h0h s ASP 662 Ca 0.08 2.60 -0.23 0.00 0.71 0.00 0.00 52.55 55.71 1h0h s ASP 662 Cb 0.05 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.39 1h0h s ASP 662 CO -0.08 -0.82 0.73 0.72 0.21 0.00 0.00 175.17 175.92 1h0h s PHE 663 N -1.28 -0.30 0.04 4.23 -0.71 -0.87 -4.95 117.98 114.13 1h0h s PHE 663 Ca 0.57 -0.05 0.06 0.00 -1.04 0.00 0.00 56.93 56.47 1h0h s PHE 663 Cb -0.37 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 1h0h s PHE 663 CO 0.47 -1.02 -0.17 0.21 -1.34 0.00 0.00 175.22 173.37 1h0h s LYS 664 N -3.74 1.13 -0.09 1.99 2.20 -1.26 -1.06 119.74 118.91 1h0h s LYS 664 Ca 0.08 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.86 1h0h s LYS 664 Cb -0.04 -1.17 0.04 0.00 -1.51 0.00 0.00 37.83 35.15 1h0h s LYS 664 CO -0.01 0.30 0.07 0.54 -0.36 0.00 0.00 175.35 175.89 1h0h s VAL 665 N -0.78 -0.10 0.00 4.02 0.11 0.36 -5.00 120.40 119.02 1h0h s VAL 665 Ca 0.04 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1h0h s VAL 665 Cb -0.08 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 1h0h s VAL 665 CO 0.01 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 1h0h n GLY 666 N 5.29 3.68 1.29 6.54 0.00 -1.26 -1.07 105.19 119.66 1h0h n GLY 666 Ca -0.05 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1h0h n GLY 666 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h0h n ASP 667 N 6.81 3.74 -4.56 1.61 5.75 -1.26 -4.93 116.55 123.72 1h0h n ASP 667 Ca 0.00 -2.00 -0.34 0.00 -0.01 0.00 0.00 54.79 52.44 1h0h n ASP 667 Cb 0.00 -0.47 -0.11 0.00 -1.03 0.00 0.00 41.12 39.51 1h0h n ASP 667 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1h0h s VAL 668 N -1.07 4.23 -0.09 2.12 1.01 -0.23 -5.10 120.40 121.27 1h0h s VAL 668 Ca 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1h0h s VAL 668 Cb 0.24 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1h0h s VAL 668 CO 0.32 0.49 -0.07 -1.61 0.00 0.00 0.00 175.10 174.23 1h0h s GLU 669 N 0.28 2.95 0.02 2.72 2.02 -1.26 -0.49 118.70 124.94 1h0h s GLU 669 Ca -0.01 -0.55 0.09 0.00 0.02 0.00 0.00 54.97 54.52 1h0h s GLU 669 Cb -0.13 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 1h0h s GLU 669 CO 0.02 0.56 -0.26 0.71 0.02 0.00 0.00 175.26 176.31 1h0h s TYR 670 N -0.52 2.31 0.01 1.61 2.02 -0.22 -5.02 117.35 117.54 1h0h s TYR 670 Ca 0.08 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1h0h s TYR 670 Cb -0.12 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1h0h s TYR 670 CO 0.02 0.06 0.01 0.15 -1.57 0.00 0.00 175.55 174.22 1h0h s LYS 671 N -0.99 2.78 0.08 -0.62 -0.14 -1.26 -2.05 119.74 117.54 1h0h s LYS 671 Ca 0.11 -0.63 -0.36 0.00 -1.36 0.00 0.00 55.97 53.72 1h0h s LYS 671 Cb -0.10 -2.67 -0.18 0.00 -1.68 0.00 0.00 37.83 33.20 1h0h s LYS 671 CO 0.01 0.61 1.05 0.00 -0.76 0.00 0.00 175.35 176.26 1h0h n ALA 672 N 1.22 -2.48 0.00 5.17 0.00 -1.26 -1.35 120.51 121.81 1h0h n ALA 672 Ca -0.14 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1h0h n ALA 672 Cb 0.52 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1h0h n ALA 672 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h0h n GLY 673 N 1.86 1.71 3.78 0.00 0.00 0.93 -4.96 105.19 108.52 1h0h n GLY 673 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1h0h n GLY 673 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h0h s GLN 674 N -0.74 4.50 0.41 1.61 -0.21 -0.46 -4.72 119.66 120.05 1h0h s GLN 674 Ca 0.00 1.11 -0.26 0.00 0.02 0.00 0.00 55.36 56.22 1h0h s GLN 674 Cb 0.00 -3.17 -0.09 0.00 1.00 0.00 0.00 33.01 30.75 1h0h s GLN 674 CO 0.00 0.53 1.38 -0.65 -2.12 0.00 0.00 175.29 174.43 1h0h s GLN 675 N -1.35 3.94 0.18 2.91 -1.52 -1.26 -0.58 119.66 121.99 1h0h s GLN 675 Ca 0.38 2.33 -0.27 0.00 -1.95 0.00 0.00 55.36 55.85 1h0h s GLN 675 Cb -0.22 -2.80 -0.08 0.00 -0.22 0.00 0.00 33.01 29.69 1h0h s GLN 675 CO 0.25 -0.58 0.83 0.42 -0.25 0.00 0.00 175.29 175.96 1h0h s ILE 676 N -1.20 4.29 -0.16 1.08 -1.09 0.47 -4.43 121.20 120.17 1h0h s ILE 676 Ca 0.57 1.83 0.16 0.00 -2.23 0.00 0.00 60.65 60.97 1h0h s ILE 676 Cb -0.42 -4.20 0.04 0.00 -1.58 0.00 0.00 42.46 36.30 1h0h s ILE 676 CO 0.55 0.51 1.34 0.00 -1.23 0.00 0.00 174.94 176.11 1h0h h ALA 677 N 4.34 0.67 -2.40 9.38 0.00 -1.94 -3.37 119.26 125.95 1h0h h ALA 677 Ca -0.46 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 53.90 1h0h h ALA 677 Cb 1.20 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 1h0h h ALA 677 CO 0.67 0.64 0.17 -0.08 0.00 0.00 0.00 179.25 180.65 1h0h s THR 678 N -2.97 0.00 0.30 0.00 -1.32 -1.26 -3.65 115.64 106.74 1h0h s THR 678 Ca 0.03 -0.04 0.37 0.00 -1.21 0.00 0.00 61.69 60.84 1h0h s THR 678 Cb 0.08 -0.99 0.38 0.00 -1.51 0.00 0.00 72.50 70.46 1h0h s THR 678 CO 0.76 -0.02 2.11 2.19 -2.21 0.00 0.00 174.62 177.45 1h0h h PHE 679 N 2.65 0.00 0.00 9.09 -5.15 -1.79 -1.00 116.94 120.74 1h0h h PHE 679 Ca -0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 1h0h h PHE 679 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1h0h h PHE 679 CO 0.33 0.00 0.00 0.78 -2.00 0.00 0.00 178.31 177.42 1h0h h GLY 680 N 0.67 0.00 -0.82 6.09 0.00 -1.94 -2.64 103.07 104.43 1h0h h GLY 680 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h0h h GLY 680 CO 0.00 0.00 -0.52 1.42 0.00 0.00 0.00 176.54 177.44 1h0h n HIS 681 N -2.46 0.00 -1.24 5.60 8.25 -0.38 -5.00 115.22 119.98 1h0h n HIS 681 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 1h0h n HIS 681 Cb 0.07 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.30 1h0h n HIS 681 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h0h s LEU 682 N -2.47 3.22 -0.03 2.41 1.43 -1.00 -4.98 118.68 117.25 1h0h s LEU 682 Ca 0.16 2.39 0.07 0.00 -1.03 0.00 0.00 54.13 55.72 1h0h s LEU 682 Cb 0.17 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.78 1h0h s LEU 682 CO 0.58 -2.52 -0.25 -1.10 0.23 0.00 0.00 176.35 173.30 1h0h s GLN 683 N -4.02 2.26 0.33 1.70 -1.52 -1.26 -4.90 119.66 112.26 1h0h s GLN 683 Ca 0.74 -0.90 0.25 0.00 -1.95 0.00 0.00 55.36 53.50 1h0h s GLN 683 Cb -0.30 -2.10 0.72 0.00 -0.22 0.00 0.00 33.01 31.11 1h0h s GLN 683 CO 0.48 0.52 1.73 0.00 -0.25 0.00 0.00 175.29 177.77 1h0h h ALA 684 N 5.64 1.00 -0.27 6.09 0.00 -1.80 -3.33 119.26 126.59 1h0h h ALA 684 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1h0h h ALA 684 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1h0h h ALA 684 CO 0.47 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 1h0h n ASP 685 N -2.64 2.05 0.00 0.00 5.75 -1.26 -4.78 116.55 115.67 1h0h n ASP 685 Ca 0.04 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1h0h n ASP 685 Cb 0.43 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1h0h n ASP 685 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h0h n GLY 686 N 1.18 0.67 0.16 6.12 0.00 -1.25 -4.96 105.19 107.11 1h0h n GLY 686 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1h0h n GLY 686 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1h0h h SER 687 N 0.00 0.00 -4.41 1.61 0.02 -1.91 -3.45 113.55 105.41 1h0h h SER 687 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 1h0h h SER 687 Cb 0.00 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.30 1h0h h SER 687 CO 0.00 0.00 -0.78 0.42 -1.14 0.00 0.00 176.83 175.33 1h0h s THR 688 N -3.36 0.97 0.49 -2.27 -4.23 -1.26 -0.18 115.64 105.80 1h0h s THR 688 Ca 0.04 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1h0h s THR 688 Cb 0.09 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 73.04 1h0h s THR 688 CO 0.44 -0.11 0.70 0.42 -0.54 0.00 0.00 174.62 175.53 1h0h s THR 689 N -1.00 3.21 0.00 3.99 -4.23 -0.65 -4.04 115.64 112.93 1h0h s THR 689 Ca -0.01 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1h0h s THR 689 Cb -0.08 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1h0h s THR 689 CO 0.01 -0.12 0.00 -0.24 -0.54 0.00 0.00 174.62 173.74 1h0h n SER 690 N -2.17 0.00 0.17 3.99 2.88 -0.84 -3.21 113.62 114.45 1h0h n SER 690 Ca 0.05 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.64 1h0h n SER 690 Cb 0.59 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.54 1h0h n SER 690 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1h0h h GLY 691 N 0.00 0.16 -6.35 0.46 0.00 -0.66 -3.10 103.07 93.58 1h0h h GLY 691 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 1h0h h GLY 691 CO 0.00 0.08 -0.50 0.00 0.00 0.00 0.00 176.54 176.12 1h0h h TRP 693 N 8.16 0.00 0.00 0.00 5.08 -1.80 -0.48 115.95 126.91 1h0h h TRP 693 Ca -0.14 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.83 1h0h h TRP 693 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1h0h h TRP 693 CO 0.20 0.00 0.00 -0.84 -1.28 0.00 0.00 178.44 176.53 1h0h h ILE 694 N 0.00 0.00 -0.04 0.12 3.07 -1.92 -2.05 117.51 116.69 1h0h h ILE 694 Ca -0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1h0h h ILE 694 Cb 0.01 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 37.46 1h0h h ILE 694 CO 0.00 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.88 1h0h n TYR 695 N -2.51 0.02 -2.19 0.16 4.01 -0.19 -4.44 117.16 112.02 1h0h n TYR 695 Ca -0.00 -0.01 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 1h0h n TYR 695 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 1h0h n TYR 695 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1h0h s THR 696 N -1.98 3.85 0.00 -0.72 2.01 -0.77 -0.75 115.64 117.28 1h0h s THR 696 Ca 0.33 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1h0h s THR 696 Cb 0.20 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1h0h s THR 696 CO 0.31 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1h0h n GLY 697 N 4.19 1.69 0.09 4.40 0.00 -1.24 -3.28 105.19 111.03 1h0h n GLY 697 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1h0h n GLY 697 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h0h h SER 698 N 0.00 0.00 -1.82 1.61 4.64 -1.26 -3.42 113.55 113.30 1h0h h SER 698 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1h0h h SER 698 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1h0h h SER 698 CO 0.00 0.85 -0.67 -0.47 -0.87 0.00 0.00 176.83 175.68 1h0h s TYR 699 N -2.95 -0.45 0.00 4.77 6.14 -1.26 -0.95 117.35 122.66 1h0h s TYR 699 Ca 0.01 -0.77 0.00 0.00 0.64 0.00 0.00 57.07 56.95 1h0h s TYR 699 Cb 0.10 -0.32 0.00 0.00 0.42 0.00 0.00 41.96 42.16 1h0h s TYR 699 CO 0.80 -1.00 0.00 0.25 0.64 0.00 0.00 175.55 176.24 1h0h n THR 700 N 4.14 0.00 0.33 4.34 -2.24 -0.94 -4.77 114.28 115.14 1h0h n THR 700 Ca 0.12 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.12 1h0h n THR 700 Cb 0.47 -0.46 1.12 0.00 -2.10 0.00 0.00 70.33 69.36 1h0h n THR 700 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1h0h h GLU 701 N 0.00 0.00 -0.11 -0.78 4.39 -1.88 -1.17 114.58 115.03 1h0h h GLU 701 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1h0h h GLU 701 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1h0h h GLU 701 CO 0.00 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.48 1h0h n LYS 702 N -3.09 1.79 0.00 2.33 4.76 -1.26 -5.04 118.16 117.65 1h0h n LYS 702 Ca -0.02 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.25 1h0h n LYS 702 Cb 0.12 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1h0h n LYS 702 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h0h n GLY 703 N 1.19 -0.66 3.48 0.72 0.00 -0.44 -4.94 105.19 104.54 1h0h n GLY 703 Ca 0.17 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1h0h n GLY 703 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h0h s ASN 704 N -3.41 6.29 0.47 1.61 3.84 -1.26 -2.22 114.94 120.26 1h0h s ASN 704 Ca 0.00 -1.14 0.23 0.00 0.21 0.00 0.00 52.86 52.17 1h0h s ASN 704 Cb 0.00 -2.46 1.19 0.00 -0.55 0.00 0.00 41.25 39.43 1h0h s ASN 704 CO 0.00 -1.46 1.97 0.24 -2.79 0.00 0.00 177.10 175.07 1h0h h MET 705 N 9.55 0.00 0.00 0.43 2.86 -1.37 -2.24 114.93 124.16 1h0h h MET 705 Ca -0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1h0h h MET 705 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1h0h h MET 705 CO 1.21 0.19 0.00 0.00 1.06 0.00 0.00 176.91 179.38 1h0h h ALA 706 N 1.81 1.00 -0.15 6.32 0.00 -1.78 -2.82 119.26 123.64 1h0h h ALA 706 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h0h h ALA 706 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1h0h h ALA 706 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1h0h n ALA 707 N -1.80 2.47 -1.77 0.00 0.00 -0.84 -1.70 120.51 116.87 1h0h n ALA 707 Ca 0.03 -0.72 -0.39 0.00 0.00 0.00 0.00 53.44 52.36 1h0h n ALA 707 Cb 0.29 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1h0h n ALA 707 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1h0h s ARG 708 N -1.83 4.42 -0.31 0.00 0.52 -1.06 -4.89 118.95 115.79 1h0h s ARG 708 Ca 0.33 1.83 0.14 0.00 -0.52 0.00 0.00 55.73 57.51 1h0h s ARG 708 Cb 0.21 -2.99 0.47 0.00 0.52 0.00 0.00 34.95 33.16 1h0h s ARG 708 CO 0.31 0.00 1.11 0.54 0.02 0.00 0.00 175.30 177.28 1h0h n ARG 709 N 0.75 2.50 -3.39 3.54 1.74 -1.25 -0.41 116.66 120.14 1h0h n ARG 709 Ca 0.01 -3.84 -0.41 0.00 -0.77 0.00 0.00 57.85 52.84 1h0h n ARG 709 Cb 0.45 -1.86 -0.09 0.00 -1.02 0.00 0.00 32.46 29.94 1h0h n ARG 709 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1h0h s ASP 710 N -3.57 6.18 0.00 0.55 2.15 -0.65 -4.93 116.67 116.40 1h0h s ASP 710 Ca 0.38 -0.31 0.16 0.00 0.43 0.00 0.00 52.55 53.22 1h0h s ASP 710 Cb 0.39 -2.20 0.52 0.00 -0.30 0.00 0.00 42.92 41.32 1h0h s ASP 710 CO -0.03 -0.37 1.40 0.29 -0.17 0.00 0.00 175.17 176.29 1h0h n LYS 711 N 5.41 1.90 -1.75 4.34 5.02 -1.26 -2.52 118.16 129.29 1h0h n LYS 711 Ca -0.09 -1.37 -0.42 0.00 -2.02 0.00 0.00 58.31 54.41 1h0h n LYS 711 Cb 0.49 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 1h0h n LYS 711 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1h0h s THR 712 N -1.59 2.05 0.02 -0.18 2.01 -1.26 -4.99 115.64 111.70 1h0h s THR 712 Ca 0.30 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1h0h s THR 712 Cb 0.16 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 1h0h s THR 712 CO 0.22 0.00 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.02 1h0h s GLN 713 N 0.66 0.32 0.86 4.92 -0.21 -1.26 -4.48 119.66 120.47 1h0h s GLN 713 Ca 0.71 -0.54 -0.12 0.00 0.02 0.00 0.00 55.36 55.43 1h0h s GLN 713 Cb -0.49 -0.02 0.11 0.00 1.00 0.00 0.00 33.01 33.61 1h0h s GLN 713 CO 0.37 -0.01 1.10 0.95 -2.12 0.00 0.00 175.29 175.58 1h0h s THR 714 N -1.18 2.71 0.22 -0.19 -4.23 -1.26 -4.76 115.64 106.96 1h0h s THR 714 Ca -0.12 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1h0h s THR 714 Cb -0.08 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 71.05 1h0h s THR 714 CO -0.01 -0.30 1.80 0.44 -0.54 0.00 0.00 174.62 176.01 1h0h h ASP 715 N -1.35 0.56 0.13 3.99 3.32 -2.01 0.38 116.42 121.44 1h0h h ASP 715 Ca -0.49 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 1h0h h ASP 715 Cb 1.29 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1h0h h ASP 715 CO 0.58 0.34 -0.06 -0.03 -1.72 0.00 0.00 179.24 178.35 1h0h h MET 716 N 0.70 -0.17 -0.68 3.56 4.05 -1.97 -1.74 114.93 118.68 1h0h h MET 716 Ca 0.34 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1h0h h MET 716 Cb 0.29 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 1h0h h MET 716 CO -0.23 -0.09 0.38 1.96 0.23 0.00 0.00 176.91 179.16 1h0h h GLN 717 N -0.19 0.95 -0.04 0.39 4.20 -1.75 -2.82 115.11 115.85 1h0h h GLN 717 Ca -0.02 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1h0h h GLN 717 Cb 0.15 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1h0h h GLN 717 CO 0.03 0.71 -0.20 0.00 -0.67 0.00 0.00 178.83 178.70 1h0h h ALA 718 N 1.19 1.60 -0.37 3.87 0.00 -0.09 -1.34 119.26 124.11 1h0h h ALA 718 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1h0h h ALA 718 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1h0h h ALA 718 CO -0.04 0.30 0.17 -0.22 0.00 0.00 0.00 179.25 179.46 1h0h h LYS 719 N 0.06 0.52 -0.01 0.00 1.63 -1.05 -3.01 116.57 114.72 1h0h h LYS 719 Ca 0.01 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1h0h h LYS 719 Cb 0.39 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1h0h h LYS 719 CO 0.03 0.42 -0.24 0.44 -3.45 0.00 0.00 179.45 176.65 1h0h n ILE 720 N -4.41 0.00 -2.41 2.00 -5.35 -1.04 -5.02 119.36 103.13 1h0h n ILE 720 Ca 0.02 -0.38 -0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1h0h n ILE 720 Cb 0.12 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 1h0h n ILE 720 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h0h n GLY 721 N 0.95 0.86 0.22 3.28 0.00 -0.53 -4.48 105.19 105.49 1h0h n GLY 721 Ca 0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1h0h n GLY 721 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h0h h LEU 722 N -0.01 0.76 -2.86 0.99 3.38 -1.84 -3.43 115.31 112.29 1h0h h LEU 722 Ca -0.00 -0.43 -0.55 0.00 0.09 0.00 0.00 57.88 56.99 1h0h h LEU 722 Cb 1.00 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1h0h h LEU 722 CO 0.00 1.18 -0.96 -1.22 0.09 0.00 0.00 178.44 177.53 1h0h n TYR 723 N -3.95 -1.51 0.29 1.13 4.01 -1.26 -4.84 117.16 111.02 1h0h n TYR 723 Ca -0.04 0.43 0.16 0.00 -0.16 0.00 0.00 57.90 58.29 1h0h n TYR 723 Cb 0.65 -3.13 0.79 0.00 -0.31 0.00 0.00 39.34 37.33 1h0h n TYR 723 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1h0h h PRO 724 N -2.10 0.00 -0.01 -0.72 0.11 -1.87 -0.21 132.00 127.20 1h0h h PRO 724 Ca -0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.44 1h0h h PRO 724 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1h0h h PRO 724 CO 0.58 0.00 -0.21 0.41 -0.21 0.00 0.00 178.00 178.57 1h0h n GLY 725 N -0.71 -0.78 3.50 -0.55 0.00 -1.24 -4.80 105.19 100.61 1h0h n GLY 725 Ca -0.01 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1h0h n GLY 725 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1h0h s TRP 726 N -2.53 3.09 0.00 1.61 -0.11 -0.09 -1.63 118.94 119.28 1h0h s TRP 726 Ca 0.25 -0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.34 1h0h s TRP 726 Cb 0.19 -3.24 0.00 0.00 -1.50 0.00 0.00 33.47 28.92 1h0h s TRP 726 CO 0.51 -0.85 0.00 0.25 -4.62 0.00 0.00 176.95 172.25 1h0h n THR 727 N 5.69 0.00 -3.64 5.86 -2.24 0.45 -4.84 114.28 115.57 1h0h n THR 727 Ca -0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1h0h n THR 727 Cb 0.47 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 1h0h n THR 727 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1h0h s TRP 728 N 0.00 -0.93 -0.04 4.78 -0.00 -1.21 -4.64 118.94 116.91 1h0h s TRP 728 Ca 0.00 2.02 0.02 0.00 -0.00 0.00 0.00 56.10 58.14 1h0h s TRP 728 Cb 0.00 0.45 -0.03 0.00 -0.00 0.00 0.00 33.47 33.89 1h0h s TRP 728 CO 0.00 -0.45 -0.06 0.00 -0.00 0.00 0.00 176.95 176.43 1h0h s ALA 729 N 1.02 3.02 0.26 5.86 0.00 -1.26 0.87 121.76 131.53 1h0h s ALA 729 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 1h0h s ALA 729 Cb -0.05 -1.20 -0.08 0.00 0.00 0.00 0.00 23.12 21.78 1h0h s ALA 729 CO -0.10 0.59 0.67 1.67 0.00 0.00 0.00 175.76 178.60 1h0h s TRP 730 N -0.90 3.47 0.05 0.00 1.48 -0.95 0.91 118.94 123.00 1h0h s TRP 730 Ca 0.15 1.16 -0.15 0.00 -1.06 0.00 0.00 56.10 56.20 1h0h s TRP 730 Cb -0.11 -2.48 -0.06 0.00 -1.16 0.00 0.00 33.47 29.66 1h0h s TRP 730 CO 0.04 0.22 0.45 -1.25 -4.06 0.00 0.00 176.95 172.35 1h0h s PRO 731 N -2.62 3.95 -1.86 3.25 0.04 -1.26 -4.70 135.00 131.80 1h0h s PRO 731 Ca 0.49 0.44 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 1h0h s PRO 731 Cb -0.12 -3.14 0.22 0.00 0.04 0.00 0.00 34.50 31.50 1h0h s PRO 731 CO 0.19 0.63 0.59 1.33 0.04 0.00 0.00 177.00 179.78 1h0h n VAL 732 N 1.50 -0.14 -1.77 -0.36 0.24 -1.25 -1.15 118.33 115.39 1h0h n VAL 732 Ca -0.11 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 1h0h n VAL 732 Cb 0.52 -0.63 -0.04 0.00 -1.47 0.00 0.00 33.84 32.21 1h0h n VAL 732 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1h0h n ASN 733 N -2.50 -4.66 -4.56 -1.34 5.15 0.26 -4.90 115.26 102.71 1h0h n ASN 733 Ca 0.10 0.21 -0.43 0.00 -0.60 0.00 0.00 54.58 53.86 1h0h n ASN 733 Cb 0.46 -3.60 -0.03 0.00 -0.53 0.00 0.00 39.78 36.08 1h0h n ASN 733 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1h0h s ARG 734 N -3.85 3.49 0.10 1.20 0.52 -0.30 -4.22 118.95 115.89 1h0h s ARG 734 Ca 0.00 0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 1h0h s ARG 734 Cb 0.00 -4.00 -0.24 0.00 0.52 0.00 0.00 34.95 31.23 1h0h s ARG 734 CO 0.00 -1.52 1.22 0.00 0.02 0.00 0.00 175.30 175.02 1h0h h ARG 735 N 9.37 0.12 -4.73 3.54 3.08 -1.89 -3.40 114.38 120.47 1h0h h ARG 735 Ca -0.25 -0.21 -0.68 0.00 0.07 0.00 0.00 59.98 58.91 1h0h h ARG 735 Cb 1.06 0.08 -0.35 0.00 0.08 0.00 0.00 29.97 30.84 1h0h h ARG 735 CO 1.13 1.10 -0.70 0.42 -1.07 0.00 0.00 179.97 180.85 1h0h s ILE 736 N -2.69 2.75 0.69 2.04 1.01 -1.26 -4.50 121.20 119.24 1h0h s ILE 736 Ca -0.01 -1.71 -0.11 0.00 0.00 0.00 0.00 60.65 58.81 1h0h s ILE 736 Cb 0.09 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1h0h s ILE 736 CO 0.85 -0.27 1.06 0.27 0.00 0.00 0.00 174.94 176.85 1h0h s ILE 737 N 1.14 3.90 -1.15 2.92 -4.36 -0.79 -3.44 121.20 119.43 1h0h s ILE 737 Ca -0.01 0.66 0.00 0.00 -0.26 0.00 0.00 60.65 61.04 1h0h s ILE 737 Cb -0.20 -3.33 0.00 0.00 1.25 0.00 0.00 42.46 40.18 1h0h s ILE 737 CO -0.04 -0.77 0.00 -1.22 0.24 0.00 0.00 174.94 173.16 1h0h n TYR 738 N -3.02 0.00 0.26 1.37 4.01 -1.26 -4.08 117.16 114.44 1h0h n TYR 738 Ca 0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.92 1h0h n TYR 738 Cb 0.53 -2.14 0.47 0.00 -0.31 0.00 0.00 39.34 37.89 1h0h n TYR 738 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1h0h n ASN 739 N -0.10 0.50 0.28 7.72 0.23 -1.22 -1.54 115.26 121.12 1h0h n ASN 739 Ca -0.11 0.68 0.15 0.00 -0.53 0.00 0.00 54.58 54.77 1h0h n ASN 739 Cb 0.40 -0.76 0.83 0.00 -2.08 0.00 0.00 39.78 38.16 1h0h n ASN 739 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1h0h h ARG 740 N 0.00 0.00 0.00 -3.83 3.08 -1.83 -2.10 114.38 109.70 1h0h h ARG 740 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h0h h ARG 740 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1h0h h ARG 740 CO 0.00 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 1h0h n ALA 741 N -2.25 2.34 1.57 0.04 0.00 -0.59 -3.07 120.51 118.55 1h0h n ALA 741 Ca -0.02 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.45 1h0h n ALA 741 Cb 0.19 -1.44 0.75 0.00 0.00 0.00 0.00 19.45 18.94 1h0h n ALA 741 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1h0h n SER 742 N -1.33 0.23 -4.42 0.00 3.41 -0.79 -4.87 113.62 105.85 1h0h n SER 742 Ca 0.12 -0.57 -0.21 0.00 -0.26 0.00 0.00 58.87 57.94 1h0h n SER 742 Cb 0.24 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 1h0h n SER 742 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1h0h s VAL 743 N -2.37 1.95 0.77 -3.33 -7.23 -1.17 -1.29 120.40 107.74 1h0h s VAL 743 Ca 0.34 -2.24 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 1h0h s VAL 743 Cb 0.21 -2.29 0.18 0.00 0.56 0.00 0.00 36.38 35.04 1h0h s VAL 743 CO 0.44 -0.42 1.00 -0.90 -0.31 0.00 0.00 175.10 174.91 1h0h n ASP 744 N -0.54 -0.13 0.31 4.85 5.68 0.07 -4.84 116.55 121.94 1h0h n ASP 744 Ca -0.06 -1.33 0.17 0.00 -0.50 0.00 0.00 54.79 53.07 1h0h n ASP 744 Cb 0.61 -0.78 1.00 0.00 -1.14 0.00 0.00 41.12 40.81 1h0h n ASP 744 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1h0h h LEU 745 N 0.00 0.00 -0.03 -2.12 3.38 -1.95 -0.63 115.31 113.95 1h0h h LEU 745 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1h0h h LEU 745 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1h0h h LEU 745 CO 0.23 0.01 -0.35 0.59 0.09 0.00 0.00 178.44 179.01 1h0h n ASN 746 N -3.57 0.40 0.00 -0.43 3.02 -1.26 -0.85 115.26 112.57 1h0h n ASN 746 Ca -0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1h0h n ASN 746 Cb 0.09 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1h0h n ASN 746 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h0h n GLY 747 N 1.48 0.92 3.72 7.41 0.00 -0.24 -4.82 105.19 113.66 1h0h n GLY 747 Ca 0.07 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1h0h n GLY 747 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h0h s LYS 748 N -0.70 4.29 0.28 1.61 2.20 -1.26 -1.99 119.74 124.17 1h0h s LYS 748 Ca 0.00 0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 1h0h s LYS 748 Cb 0.00 -3.43 -0.13 0.00 -1.51 0.00 0.00 37.83 32.76 1h0h s LYS 748 CO 0.00 0.20 1.43 -2.30 -0.36 0.00 0.00 175.35 174.32 1h0h n PRO 749 N 3.63 2.23 0.15 4.03 -0.02 -1.26 -0.75 135.00 143.00 1h0h n PRO 749 Ca -0.10 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1h0h n PRO 749 Cb 0.52 -2.46 0.23 0.00 -0.02 0.00 0.00 33.50 31.77 1h0h n PRO 749 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1h0h h TYR 750 N 3.91 0.00 -3.07 6.00 0.05 -1.48 -3.37 116.97 119.01 1h0h h TYR 750 Ca -0.46 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.70 1h0h h TYR 750 Cb 1.26 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.59 1h0h h TYR 750 CO 0.55 0.54 -0.63 0.00 -1.05 0.00 0.00 178.16 177.57 1h0h s ALA 751 N -3.75 3.36 0.53 3.88 0.00 -1.26 -3.74 121.76 120.79 1h0h s ALA 751 Ca -0.02 -3.50 0.23 0.00 0.00 0.00 0.00 51.96 48.67 1h0h s ALA 751 Cb 0.13 -2.09 1.37 0.00 0.00 0.00 0.00 23.12 22.53 1h0h s ALA 751 CO 0.75 -2.07 2.04 -1.35 0.00 0.00 0.00 175.76 175.13 1h0h h PRO 752 N 5.74 0.00 0.00 0.00 0.11 -1.95 0.79 132.00 136.69 1h0h h PRO 752 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1h0h h PRO 752 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1h0h h PRO 752 CO 0.66 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 1h0h n GLU 753 N -4.41 0.24 -2.71 1.05 1.02 -1.26 -3.79 120.64 110.78 1h0h n GLU 753 Ca 0.06 0.28 -0.06 0.00 -0.02 0.00 0.00 57.16 57.42 1h0h n GLU 753 Cb 0.46 -1.83 0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1h0h n GLU 753 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1h0h n LYS 754 N -2.26 1.30 -1.85 3.49 2.85 0.10 -4.95 118.16 116.84 1h0h n LYS 754 Ca 0.04 -2.78 -0.38 0.00 -1.05 0.00 0.00 58.31 54.14 1h0h n LYS 754 Cb 0.37 -0.88 0.03 0.00 -0.65 0.00 0.00 35.03 33.89 1h0h n LYS 754 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1h0h s ALA 755 N -2.20 2.92 -0.24 0.58 0.00 -0.22 -4.30 121.76 118.31 1h0h s ALA 755 Ca 0.24 1.31 -0.16 0.00 0.00 0.00 0.00 51.96 53.35 1h0h s ALA 755 Cb 0.42 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1h0h s ALA 755 CO -0.02 -1.25 -0.35 0.28 0.00 0.00 0.00 175.76 174.42 1h0h n VAL 756 N -0.79 1.52 -4.22 0.00 0.31 -1.26 -4.85 118.33 109.04 1h0h n VAL 756 Ca 0.09 -0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 64.11 1h0h n VAL 756 Cb 0.45 -2.08 -0.10 0.00 -0.91 0.00 0.00 33.84 31.19 1h0h n VAL 756 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1h0h s VAL 757 N -2.67 1.11 -0.12 2.52 -7.23 -1.26 -0.95 120.40 111.80 1h0h s VAL 757 Ca -0.35 -1.87 -0.09 0.00 -1.81 0.00 0.00 61.98 57.87 1h0h s VAL 757 Cb 0.10 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.45 1h0h s VAL 757 CO 0.46 -0.63 0.31 -0.70 -0.31 0.00 0.00 175.10 174.23 1h0h s GLU 758 N -3.26 0.32 -0.05 4.82 2.12 -0.02 -4.46 118.70 118.18 1h0h s GLU 758 Ca 0.12 0.51 -0.30 0.00 0.36 0.00 0.00 54.97 55.66 1h0h s GLU 758 Cb -0.00 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 1h0h s GLU 758 CO 0.01 -0.09 1.00 -0.46 -0.54 0.00 0.00 175.26 175.17 1h0h s TRP 759 N 0.65 3.58 -0.57 5.30 -0.11 -0.84 -0.64 118.94 126.31 1h0h s TRP 759 Ca -0.04 1.64 -0.16 0.00 1.22 0.00 0.00 56.10 58.76 1h0h s TRP 759 Cb -0.05 -3.16 0.13 0.00 -1.50 0.00 0.00 33.47 28.89 1h0h s TRP 759 CO -0.04 -0.15 0.55 1.21 -4.62 0.00 0.00 176.95 173.90 1h0h s ASN 760 N 1.06 6.23 0.25 5.86 3.84 0.74 -4.93 114.94 128.00 1h0h s ASN 760 Ca 0.50 -1.82 -0.04 0.00 0.21 0.00 0.00 52.86 51.71 1h0h s ASN 760 Cb -0.20 -2.22 0.30 0.00 -0.55 0.00 0.00 41.25 38.58 1h0h s ASN 760 CO 0.23 -0.87 1.82 0.00 -2.79 0.00 0.00 177.10 175.49 1h0h h ALA 761 N 8.84 1.16 -0.33 1.71 0.00 -1.94 -0.25 119.26 128.44 1h0h h ALA 761 Ca -0.27 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1h0h h ALA 761 Cb 1.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1h0h h ALA 761 CO 1.03 0.60 -0.06 0.00 0.00 0.00 0.00 179.25 180.81 1h0h h ALA 762 N 1.28 1.28 -0.01 0.00 0.00 -1.95 -3.08 119.26 116.78 1h0h h ALA 762 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h0h h ALA 762 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1h0h h ALA 762 CO -0.02 0.48 -0.49 0.39 0.00 0.00 0.00 179.25 179.61 1h0h n GLU 763 N -4.24 0.97 -3.57 0.00 1.02 -1.03 -4.97 120.64 108.83 1h0h n GLU 763 Ca 0.01 -0.76 -0.20 0.00 -0.02 0.00 0.00 57.16 56.19 1h0h n GLU 763 Cb 0.29 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.28 1h0h n GLU 763 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1h0h n LYS 764 N -0.35 -5.13 -3.64 3.49 5.02 -0.13 -4.99 118.16 112.44 1h0h n LYS 764 Ca 0.09 0.71 -0.12 0.00 -2.02 0.00 0.00 58.31 56.98 1h0h n LYS 764 Cb 0.43 -5.42 -0.05 0.00 -0.02 0.00 0.00 35.03 29.96 1h0h n LYS 764 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1h0h s LYS 765 N -5.64 1.01 -0.07 1.97 -2.85 -1.06 -5.02 119.74 108.10 1h0h s LYS 765 Ca 0.06 -0.52 -0.14 0.00 -1.00 0.00 0.00 55.97 54.37 1h0h s LYS 765 Cb -0.01 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1h0h s LYS 765 CO 0.78 -0.38 0.36 -1.58 0.10 0.00 0.00 175.35 174.63 1h0h s TRP 766 N -3.15 3.62 0.18 1.78 0.52 -1.26 -0.19 118.94 120.44 1h0h s TRP 766 Ca -0.01 0.83 0.08 0.00 0.02 0.00 0.00 56.10 57.03 1h0h s TRP 766 Cb 0.01 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 1h0h s TRP 766 CO -0.07 0.50 -0.06 0.14 0.02 0.00 0.00 176.95 177.48 1h0h s VAL 767 N -0.50 3.39 0.00 4.03 -7.23 0.19 -4.85 120.40 115.43 1h0h s VAL 767 Ca 0.21 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1h0h s VAL 767 Cb -0.15 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1h0h s VAL 767 CO 0.10 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1h0h n GLY 768 N -0.04 0.71 3.76 2.32 0.00 -1.26 -0.84 105.19 109.84 1h0h n GLY 768 Ca -0.10 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 1h0h n GLY 768 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h0h s ASP 769 N -4.00 3.87 0.07 1.61 2.15 -0.12 -4.88 116.67 115.37 1h0h s ASP 769 Ca 0.00 1.35 -0.31 0.00 0.43 0.00 0.00 52.55 54.02 1h0h s ASP 769 Cb 0.00 -2.05 -0.07 0.00 -0.30 0.00 0.00 42.92 40.50 1h0h s ASP 769 CO 0.00 -2.37 1.38 -0.69 -0.17 0.00 0.00 175.17 173.32 1h0h s VAL 770 N -3.06 3.49 0.22 1.11 1.01 -1.26 -4.86 120.40 117.05 1h0h s VAL 770 Ca 0.62 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 1h0h s VAL 770 Cb -0.16 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1h0h s VAL 770 CO 0.55 0.05 1.44 -2.16 0.00 0.00 0.00 175.10 174.99 1h0h s PRO 771 N 1.55 4.28 -1.25 2.72 0.04 -1.26 -4.61 135.00 136.46 1h0h s PRO 771 Ca 0.64 2.26 -0.19 0.00 0.04 0.00 0.00 61.00 63.75 1h0h s PRO 771 Cb -0.35 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1h0h s PRO 771 CO 0.29 -0.43 1.84 -3.47 0.04 0.00 0.00 177.00 175.27 1h0h n ASP 772 N 2.79 4.19 0.00 6.66 2.03 -1.26 -4.20 116.55 126.76 1h0h n ASP 772 Ca 0.08 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.56 1h0h n ASP 772 Cb 0.40 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 1h0h n ASP 772 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h0h n GLY 773 N 5.42 1.49 0.14 0.27 0.00 -1.26 -4.63 105.19 106.62 1h0h n GLY 773 Ca 0.48 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1h0h n GLY 773 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h0h n PRO 774 N 1.45 0.57 -0.78 1.61 -0.04 -1.26 -4.94 135.00 131.61 1h0h n PRO 774 Ca 0.00 -0.28 -0.31 0.00 -0.04 0.00 0.00 63.50 62.88 1h0h n PRO 774 Cb 0.00 -1.49 0.16 0.00 -0.04 0.00 0.00 33.50 32.13 1h0h n PRO 774 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1h0h s TRP 775 N -2.62 1.75 1.04 0.54 0.51 -1.26 -4.83 118.94 114.06 1h0h s TRP 775 Ca 0.23 1.67 -0.14 0.00 -2.12 0.00 0.00 56.10 55.74 1h0h s TRP 775 Cb 0.19 -3.27 0.14 0.00 -0.81 0.00 0.00 33.47 29.72 1h0h s TRP 775 CO 0.54 -2.78 0.61 -2.30 -0.51 0.00 0.00 176.95 172.52 1h0h n PRO 776 N -4.20 -1.18 -1.21 4.98 -0.02 -1.26 -4.80 135.00 127.32 1h0h n PRO 776 Ca 0.10 -0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 60.92 1h0h n PRO 776 Cb 0.53 -2.01 0.08 0.00 -0.02 0.00 0.00 33.50 32.08 1h0h n PRO 776 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1h0h n PRO 777 N -3.13 0.26 0.31 0.52 -0.02 -1.26 -3.42 135.00 128.25 1h0h n PRO 777 Ca 0.05 0.13 0.18 0.00 -2.02 0.00 0.00 63.50 61.85 1h0h n PRO 777 Cb 0.55 -1.95 0.98 0.00 -0.02 0.00 0.00 33.50 33.06 1h0h n PRO 777 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1h0h h GLN 778 N -0.54 0.00 0.00 -0.52 4.15 -1.64 -0.78 115.11 115.77 1h0h h GLN 778 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 1h0h h GLN 778 Cb 1.33 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.02 1h0h h GLN 778 CO 0.43 0.03 -0.09 0.00 -1.93 0.00 0.00 178.83 177.26 1h0h h ALA 779 N 1.97 1.08 -1.13 3.38 0.00 -1.33 -3.38 119.26 119.85 1h0h h ALA 779 Ca -0.00 -0.08 -0.49 0.00 0.00 0.00 0.00 54.91 54.34 1h0h h ALA 779 Cb 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1h0h h ALA 779 CO 0.00 0.11 1.17 0.34 0.00 0.00 0.00 179.25 180.88 1h0h s ASP 780 N -5.88 5.84 0.54 0.00 -1.08 -0.30 -4.83 116.67 110.96 1h0h s ASP 780 Ca -0.01 -0.69 0.29 0.00 -0.52 0.00 0.00 52.55 51.62 1h0h s ASP 780 Cb 0.11 -2.56 1.54 0.00 -1.46 0.00 0.00 42.92 40.55 1h0h s ASP 780 CO 0.56 -2.07 2.10 0.11 0.52 0.00 0.00 175.17 176.39 1h0h h LYS 781 N 11.19 0.00 0.12 4.34 1.57 -1.85 0.18 116.57 132.12 1h0h h LYS 781 Ca -0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 1h0h h LYS 781 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1h0h h LYS 781 CO 1.30 0.09 -1.76 0.93 -0.57 0.00 0.00 179.45 179.45 1h0h h GLU 782 N 0.00 0.26 0.00 3.15 3.07 -1.94 -3.43 114.58 115.69 1h0h h GLU 782 Ca -0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1h0h h GLU 782 Cb 0.31 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1h0h h GLU 782 CO 0.01 1.12 -0.83 1.63 -1.40 0.00 0.00 179.01 179.54 1h0h n LYS 783 N -3.44 1.12 -1.52 2.33 4.76 -1.19 -5.03 118.16 115.19 1h0h n LYS 783 Ca -0.23 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.91 1h0h n LYS 783 Cb 1.05 -0.92 0.11 0.00 -1.84 0.00 0.00 35.03 33.44 1h0h n LYS 783 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1h0h s GLY 784 N -1.71 1.61 0.26 0.72 0.00 0.63 -4.20 107.32 104.63 1h0h s GLY 784 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1h0h s GLY 784 CO 0.00 0.19 0.11 0.54 0.00 0.00 0.00 173.10 173.93 1h0h s LYS 785 N -5.17 1.43 0.63 2.90 -0.14 -1.22 -4.73 119.74 113.44 1h0h s LYS 785 Ca 0.62 -1.78 -0.09 0.00 -1.36 0.00 0.00 55.97 53.36 1h0h s LYS 785 Cb -0.15 -0.23 0.00 0.00 -1.68 0.00 0.00 37.83 35.77 1h0h s LYS 785 CO 0.54 -0.32 0.98 1.03 -0.76 0.00 0.00 175.35 176.83 1h0h s ARG 786 N -4.01 3.02 0.21 1.68 0.52 -0.70 -3.99 118.95 115.68 1h0h s ARG 786 Ca 0.37 0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.82 1h0h s ARG 786 Cb 0.07 -2.16 0.18 0.00 0.52 0.00 0.00 34.95 33.56 1h0h s ARG 786 CO 0.14 -0.78 1.60 0.00 0.02 0.00 0.00 175.30 176.29 1h0h h ALA 787 N -0.34 0.84 -2.61 2.13 0.00 -1.86 -3.38 119.26 114.04 1h0h h ALA 787 Ca -0.45 -0.40 -0.79 0.00 0.00 0.00 0.00 54.91 53.27 1h0h h ALA 787 Cb 1.24 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 18.64 1h0h h ALA 787 CO 0.62 0.64 0.35 -0.06 0.00 0.00 0.00 179.25 180.80 1h0h s PHE 788 N -4.47 3.93 -0.15 0.00 0.40 -0.12 -4.67 117.98 112.91 1h0h s PHE 788 Ca -0.09 -2.26 0.30 0.00 -0.60 0.00 0.00 56.93 54.27 1h0h s PHE 788 Cb 0.13 -3.88 1.19 0.00 0.51 0.00 0.00 43.02 40.97 1h0h s PHE 788 CO 0.84 -1.02 1.87 -0.84 0.70 0.00 0.00 175.22 176.76 1h0h h ILE 789 N 4.36 0.00 0.00 0.64 3.07 -1.82 -2.09 117.51 121.67 1h0h h ILE 789 Ca 0.15 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1h0h h ILE 789 Cb 0.96 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 1h0h h ILE 789 CO 0.90 0.00 -0.71 0.24 -1.05 0.00 0.00 178.15 177.54 1h0h h MET 790 N 0.00 0.00 -7.05 0.16 2.86 -1.89 -0.39 114.93 108.61 1h0h h MET 790 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 1h0h h MET 790 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1h0h h MET 790 CO 0.00 0.00 0.32 0.15 1.06 0.00 0.00 176.91 178.44 1h0h s LYS 791 N -3.19 4.16 0.38 1.72 -0.14 -0.79 -4.68 119.74 117.20 1h0h s LYS 791 Ca 0.05 1.05 0.05 0.00 -1.36 0.00 0.00 55.97 55.76 1h0h s LYS 791 Cb 0.13 -2.20 0.75 0.00 -1.68 0.00 0.00 37.83 34.83 1h0h s LYS 791 CO 0.74 -0.05 2.03 -1.35 -0.76 0.00 0.00 175.35 175.96 1h0h h PRO 792 N 1.78 0.68 -0.01 -1.68 0.11 -1.89 -2.87 132.00 128.12 1h0h h PRO 792 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1h0h h PRO 792 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1h0h h PRO 792 CO 0.61 0.45 -0.54 0.39 -0.21 0.00 0.00 178.00 178.71 1h0h n GLU 793 N -4.46 1.35 -0.48 1.05 4.71 -1.26 -4.58 120.64 116.97 1h0h n GLU 793 Ca 0.05 -0.63 0.00 0.00 -0.01 0.00 0.00 57.16 56.57 1h0h n GLU 793 Cb 0.05 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1h0h n GLU 793 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1h0h n GLY 794 N 1.32 0.75 3.48 0.62 0.00 -1.08 -4.61 105.19 105.66 1h0h n GLY 794 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1h0h n GLY 794 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h0h s TYR 795 N -2.73 2.88 0.58 1.61 2.02 -1.26 -0.94 117.35 119.51 1h0h s TYR 795 Ca 0.00 -0.29 -0.19 0.00 -0.37 0.00 0.00 57.07 56.22 1h0h s TYR 795 Cb 0.00 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1h0h s TYR 795 CO 0.00 0.06 1.21 0.00 -1.57 0.00 0.00 175.55 175.24 1h0h s ALA 796 N -0.16 2.58 -0.41 3.71 0.00 0.21 -4.68 121.76 123.00 1h0h s ALA 796 Ca 0.01 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 1h0h s ALA 796 Cb -0.13 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1h0h s ALA 796 CO 0.03 -1.12 0.39 0.71 0.00 0.00 0.00 175.76 175.76 1h0h s TYR 797 N -1.59 3.20 -0.04 0.00 1.51 0.29 -0.60 117.35 120.12 1h0h s TYR 797 Ca 0.76 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 56.25 1h0h s TYR 797 Cb -0.30 -2.78 -0.11 0.00 -0.11 0.00 0.00 41.96 38.67 1h0h s TYR 797 CO 0.33 -0.64 0.71 -0.07 -1.11 0.00 0.00 175.55 174.78 1h0h h LEU 798 N 8.89 -0.39 -9.05 -1.29 3.38 -1.90 -3.41 115.31 111.54 1h0h h LEU 798 Ca -0.27 -0.08 -0.59 0.00 0.09 0.00 0.00 57.88 57.02 1h0h h LEU 798 Cb 1.12 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1h0h h LEU 798 CO 0.76 0.07 0.44 -0.47 0.09 0.00 0.00 178.44 179.33 1h0h s TYR 799 N -3.40 3.33 -0.44 1.13 6.14 -1.26 -4.84 117.35 118.00 1h0h s TYR 799 Ca -0.09 1.13 0.02 0.00 0.64 0.00 0.00 57.07 58.77 1h0h s TYR 799 Cb 0.01 -3.03 0.14 0.00 0.42 0.00 0.00 41.96 39.50 1h0h s TYR 799 CO 0.31 -0.37 0.24 0.20 0.64 0.00 0.00 175.55 176.57 1h0h s GLY 800 N 1.32 1.71 0.00 8.97 0.00 0.32 -4.98 107.32 114.65 1h0h s GLY 800 Ca 0.35 -2.63 0.13 0.00 0.00 0.00 0.00 44.72 42.57 1h0h s GLY 800 CO 0.08 1.52 1.28 -1.55 0.00 0.00 0.00 173.10 174.43 1h0h n PRO 801 N 3.51 0.31 0.12 2.90 -0.04 -1.26 -2.93 135.00 137.60 1h0h n PRO 801 Ca 0.09 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1h0h n PRO 801 Cb 0.35 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.57 1h0h n PRO 801 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1h0h h GLY 802 N 2.13 0.00 -4.37 0.55 0.00 -1.93 -3.46 103.07 95.98 1h0h h GLY 802 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1h0h h GLY 802 CO 0.00 0.00 0.43 0.50 0.00 0.00 0.00 176.54 177.47 1h0h s ARG 803 N -3.16 4.55 0.61 4.80 1.81 -1.15 -4.92 118.95 121.48 1h0h s ARG 803 Ca 0.08 1.54 0.36 0.00 -1.72 0.00 0.00 55.73 55.99 1h0h s ARG 803 Cb 0.11 -3.41 1.96 0.00 -0.45 0.00 0.00 34.95 33.16 1h0h s ARG 803 CO 0.66 -0.06 2.24 1.05 -0.68 0.00 0.00 175.30 178.50 1h0h h GLU 804 N 6.53 0.00 -0.38 3.54 4.11 -1.93 -2.22 114.58 124.23 1h0h h GLU 804 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1h0h h GLU 804 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1h0h h GLU 804 CO 0.76 0.03 0.00 -0.40 0.07 0.00 0.00 179.01 179.47 1h0h n ASP 805 N -3.38 4.25 0.00 3.06 5.75 -1.26 -4.51 116.55 120.46 1h0h n ASP 805 Ca -0.02 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 1h0h n ASP 805 Cb 0.14 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1h0h n ASP 805 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h0h n GLY 806 N 0.03 4.18 0.09 6.12 0.00 -0.84 -4.92 105.19 109.86 1h0h n GLY 806 Ca 0.22 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1h0h n GLY 806 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h0h n PRO 807 N -1.57 0.18 -4.11 1.61 -0.04 -1.26 -4.53 135.00 125.29 1h0h n PRO 807 Ca 0.00 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1h0h n PRO 807 Cb 0.00 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.58 1h0h n PRO 807 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1h0h s LEU 808 N -4.20 2.31 0.53 1.53 1.43 -1.26 -0.52 118.68 118.49 1h0h s LEU 808 Ca 0.08 -0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 1h0h s LEU 808 Cb 0.12 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 1h0h s LEU 808 CO 0.48 -0.23 1.23 -2.84 0.23 0.00 0.00 176.35 175.23 1h0h s PRO 809 N -2.04 3.33 -0.10 1.29 0.02 -1.26 -5.05 135.00 131.19 1h0h s PRO 809 Ca -0.04 1.92 -0.09 0.00 0.02 0.00 0.00 61.00 62.81 1h0h s PRO 809 Cb -0.07 -2.21 0.03 0.00 0.02 0.00 0.00 34.50 32.27 1h0h s PRO 809 CO -0.00 -0.94 0.26 -2.00 -0.33 0.00 0.00 177.00 173.99 1h0h s GLU 810 N -2.97 0.30 0.09 5.54 2.56 -1.26 -5.06 118.70 117.89 1h0h s GLU 810 Ca 0.70 0.40 -0.31 0.00 0.00 0.00 0.00 54.97 55.76 1h0h s GLU 810 Cb -0.32 0.11 -0.06 0.00 2.00 0.00 0.00 34.13 35.85 1h0h s GLU 810 CO 0.38 -0.06 1.24 -0.47 -0.56 0.00 0.00 175.26 175.79 1h0h s TYR 811 N 0.31 3.40 0.05 5.30 5.04 -1.26 -5.03 117.35 125.16 1h0h s TYR 811 Ca -0.01 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 1h0h s TYR 811 Cb -0.03 -3.48 -0.03 0.00 0.35 0.00 0.00 41.96 38.78 1h0h s TYR 811 CO -0.01 -1.49 -0.07 0.71 -1.34 0.00 0.00 175.55 173.35 1h0h s TYR 812 N 0.89 0.67 0.07 4.97 2.02 -1.26 -4.90 117.35 119.80 1h0h s TYR 812 Ca 0.59 -0.61 -0.31 0.00 -0.37 0.00 0.00 57.07 56.38 1h0h s TYR 812 Cb -0.31 -0.40 -0.07 0.00 -0.40 0.00 0.00 41.96 40.77 1h0h s TYR 812 CO 0.31 -0.12 1.48 -1.21 -1.57 0.00 0.00 175.55 174.44 1h0h s GLU 813 N -2.09 4.26 0.41 -0.62 0.41 -0.08 -4.89 118.70 116.10 1h0h s GLU 813 Ca -0.06 2.13 0.24 0.00 -0.41 0.00 0.00 54.97 56.87 1h0h s GLU 813 Cb -0.06 -3.44 0.44 0.00 -1.78 0.00 0.00 34.13 29.29 1h0h s GLU 813 CO -0.01 -0.58 1.65 -1.00 -0.49 0.00 0.00 175.26 174.83 1h0h h PRO 814 N 7.55 0.00 -5.71 0.39 0.13 -1.89 -3.42 132.00 129.06 1h0h h PRO 814 Ca -0.41 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.25 1h0h h PRO 814 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1h0h h PRO 814 CO 0.90 0.00 -0.78 -1.64 -0.23 0.00 0.00 178.00 176.25 1h0h s MET 815 N -3.21 1.10 0.08 0.86 -1.94 -1.26 -5.04 119.30 109.89 1h0h s MET 815 Ca 0.07 -1.25 -0.14 0.00 -1.71 0.00 0.00 55.69 52.66 1h0h s MET 815 Cb 0.06 -1.12 -0.18 0.00 2.01 0.00 0.00 34.83 35.61 1h0h s MET 815 CO 0.65 0.23 1.26 0.93 -0.01 0.00 0.00 175.02 178.08 1h0h h GLU 816 N 3.61 0.70 -5.87 2.03 5.08 -2.00 -3.45 114.58 114.69 1h0h h GLU 816 Ca -0.42 -0.61 -0.56 0.00 -1.00 0.00 0.00 59.36 56.78 1h0h h GLU 816 Cb 1.20 0.14 -0.27 0.00 0.50 0.00 0.00 28.75 30.31 1h0h h GLU 816 CO 0.48 1.22 -0.84 0.00 -1.00 0.00 0.00 179.01 178.87 1h0h s PRO 818 N -0.86 1.70 -0.24 0.00 0.04 -1.26 -4.99 135.00 129.39 1h0h s PRO 818 Ca 0.07 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 1h0h s PRO 818 Cb -0.08 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1h0h s PRO 818 CO 0.01 -1.93 1.65 0.08 0.04 0.00 0.00 177.00 176.84 1h0h s VAL 819 N -3.01 3.65 -0.12 -0.36 1.01 -1.20 -4.98 120.40 115.39 1h0h s VAL 819 Ca 0.62 0.73 0.02 0.00 0.00 0.00 0.00 61.98 63.35 1h0h s VAL 819 Cb -0.16 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1h0h s VAL 819 CO 0.56 -0.32 -0.17 -0.63 0.00 0.00 0.00 175.10 174.54 1h0h s ILE 820 N 5.46 1.66 0.26 2.22 1.01 -1.26 -5.13 121.20 125.42 1h0h s ILE 820 Ca 0.73 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 1h0h s ILE 820 Cb -0.24 -1.50 -0.08 0.00 0.01 0.00 0.00 42.46 40.64 1h0h s ILE 820 CO 0.30 0.47 0.64 -1.61 0.00 0.00 0.00 174.94 174.75 1h0h s GLU 821 N 1.02 3.94 0.20 2.79 0.41 -1.26 -4.93 118.70 120.87 1h0h s GLU 821 Ca -0.05 0.51 0.10 0.00 -0.41 0.00 0.00 54.97 55.12 1h0h s GLU 821 Cb -0.15 -2.60 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1h0h s GLU 821 CO -0.03 0.27 -0.16 -3.38 -0.49 0.00 0.00 175.26 171.47 1h0h s HIS 822 N -1.83 2.47 -2.04 1.61 -3.43 -1.26 -5.05 115.29 105.76 1h0h s HIS 822 Ca 0.49 -0.29 0.15 0.00 -0.80 0.00 0.00 55.06 54.61 1h0h s HIS 822 Cb -0.12 -1.19 0.44 0.00 -1.43 0.00 0.00 32.58 30.28 1h0h s HIS 822 CO 0.19 0.54 1.36 -0.35 -2.00 0.00 0.00 174.74 174.48 1h0h n PRO 823 N -0.02 2.05 0.07 -0.38 -0.04 -1.26 -4.39 135.00 131.03 1h0h n PRO 823 Ca -0.10 -1.62 0.07 0.00 -0.04 0.00 0.00 63.50 61.80 1h0h n PRO 823 Cb 0.56 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.62 1h0h n PRO 823 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h0h n PHE 824 N 0.82 0.95 -3.88 0.54 3.72 -1.26 -5.01 117.46 113.35 1h0h n PHE 824 Ca 0.16 0.29 -0.01 0.00 -0.05 0.00 0.00 57.45 57.84 1h0h n PHE 824 Cb 0.39 -1.00 0.01 0.00 -0.94 0.00 0.00 39.48 37.94 1h0h n PHE 824 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1h0h s SER 825 N -5.51 -0.02 0.00 4.37 1.04 -1.26 -4.82 113.70 107.50 1h0h s SER 825 Ca -0.02 -0.43 0.30 0.00 0.48 0.00 0.00 55.95 56.28 1h0h s SER 825 Cb 0.09 0.34 1.40 0.00 0.10 0.00 0.00 66.02 67.95 1h0h s SER 825 CO 0.80 -0.67 1.95 0.29 0.98 0.00 0.00 173.24 176.60 1h0h n LYS 826 N -0.73 0.85 -3.01 4.02 5.02 -1.25 -4.69 118.16 118.38 1h0h n LYS 826 Ca -0.02 -0.24 -0.43 0.00 -2.02 0.00 0.00 58.31 55.60 1h0h n LYS 826 Cb 0.60 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1h0h n LYS 826 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1h0h s THR 827 N -2.32 4.64 0.01 -0.18 2.01 -1.22 -4.95 115.64 113.63 1h0h s THR 827 Ca 0.34 -0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 1h0h s THR 827 Cb 0.21 -4.44 -0.17 0.00 0.01 0.00 0.00 72.50 68.11 1h0h s THR 827 CO 0.43 -1.01 1.26 0.25 -0.69 0.00 0.00 174.62 174.86 1h0h h LEU 828 N 10.36 -0.32 -9.79 4.42 5.85 -1.94 -3.45 115.31 120.44 1h0h h LEU 828 Ca -0.27 -0.19 -0.57 0.00 0.84 0.00 0.00 57.88 57.69 1h0h h LEU 828 Cb 1.08 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1h0h h LEU 828 CO 1.04 0.04 -0.54 -1.00 -0.34 0.00 0.00 178.44 177.64 1h0h s HIS 829 N -4.71 2.62 0.04 1.25 3.76 -1.26 -0.90 115.29 116.09 1h0h s HIS 829 Ca -0.14 -0.49 -0.32 0.00 -0.15 0.00 0.00 55.06 53.96 1h0h s HIS 829 Cb 0.02 -1.74 -0.11 0.00 1.11 0.00 0.00 32.58 31.87 1h0h s HIS 829 CO 0.56 0.31 1.88 -1.71 -0.85 0.00 0.00 174.74 174.93 1h0h n ASN 830 N -1.13 3.88 0.00 1.40 2.85 -1.26 -4.84 115.26 116.16 1h0h n ASN 830 Ca -0.03 0.96 0.07 0.00 -0.11 0.00 0.00 54.58 55.47 1h0h n ASN 830 Cb 0.63 -1.49 0.30 0.00 1.24 0.00 0.00 39.78 40.46 1h0h n ASN 830 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1h0h n PRO 831 N 6.38 0.05 0.00 1.20 -0.04 -1.26 -1.53 135.00 139.80 1h0h n PRO 831 Ca 0.20 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1h0h n PRO 831 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1h0h n PRO 831 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h0h n THR 832 N -1.45 0.00 -2.69 0.52 -2.24 -1.26 -4.69 114.28 102.47 1h0h n THR 832 Ca 0.04 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 1h0h n THR 832 Cb 0.15 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1h0h n THR 832 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h0h s ALA 833 N -2.62 3.18 -0.40 6.98 0.00 -0.58 -4.95 121.76 123.36 1h0h s ALA 833 Ca 0.16 0.60 0.12 0.00 0.00 0.00 0.00 51.96 52.84 1h0h s ALA 833 Cb 0.18 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.93 1h0h s ALA 833 CO 0.64 0.04 0.43 1.28 0.00 0.00 0.00 175.76 178.16 1h0h n LEU 834 N 0.40 0.40 -0.35 0.00 4.77 -1.26 -4.62 117.00 116.33 1h0h n LEU 834 Ca 0.03 -0.36 0.11 0.00 -0.03 0.00 0.00 56.01 55.75 1h0h n LEU 834 Cb 0.50 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.06 1h0h n LEU 834 CO 0.45 0.10 0.83 0.00 -1.33 0.00 0.00 177.39 177.44 1h0h n HIS 835 N -1.46 0.11 -3.41 -1.77 1.44 -1.26 -4.91 115.22 103.97 1h0h n HIS 835 Ca 0.01 -0.06 -0.29 0.00 -2.01 0.00 0.00 57.72 55.37 1h0h n HIS 835 Cb 0.22 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.29 1h0h n HIS 835 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1h0h s PHE 836 N -1.89 3.47 -0.32 -1.40 0.08 -1.26 -5.02 117.98 111.64 1h0h s PHE 836 Ca 0.32 0.66 -0.29 0.00 0.12 0.00 0.00 56.93 57.75 1h0h s PHE 836 Cb 0.17 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1h0h s PHE 836 CO 0.26 0.23 1.19 0.00 -0.10 0.00 0.00 175.22 176.81 1h0h s ALA 837 N -1.97 3.41 -0.02 5.36 0.00 -1.26 -4.81 121.76 122.47 1h0h s ALA 837 Ca 0.44 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1h0h s ALA 837 Cb -0.11 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 1h0h s ALA 837 CO 0.28 -1.67 0.04 0.25 0.00 0.00 0.00 175.76 174.65 1h0h n THR 838 N 6.10 0.00 1.01 0.00 -2.24 -1.26 -4.57 114.28 113.32 1h0h n THR 838 Ca 0.13 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 1h0h n THR 838 Cb 0.47 0.58 0.45 0.00 -2.10 0.00 0.00 70.33 69.74 1h0h n THR 838 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1h0h n GLU 839 N -1.44 0.02 -3.59 -0.78 0.00 -1.26 -4.94 120.64 108.65 1h0h n GLU 839 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1h0h n GLU 839 Cb 0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.94 1h0h n GLU 839 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1h0h s GLU 840 N -2.99 0.42 0.00 3.44 1.03 -1.26 -5.08 118.70 114.26 1h0h s GLU 840 Ca 0.13 -0.02 0.00 0.00 0.03 0.00 0.00 54.97 55.11 1h0h s GLU 840 Cb 0.18 0.20 0.00 0.00 -0.80 0.00 0.00 34.13 33.71 1h0h s GLU 840 CO 0.60 -0.16 0.00 1.63 -1.33 0.00 0.00 175.26 176.01 1h0h n LYS 841 N 0.30 0.00 -1.77 -4.83 5.02 -1.26 -4.81 118.16 110.81 1h0h n LYS 841 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1h0h n LYS 841 Cb 0.59 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1h0h n LYS 841 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h0h n ALA 842 N 0.02 -1.57 -3.63 7.82 0.00 -1.26 -4.87 120.51 117.02 1h0h n ALA 842 Ca 0.00 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.36 1h0h n ALA 842 Cb 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 1h0h n ALA 842 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1h0h s VAL 843 N -1.46 4.36 -0.45 0.00 -7.23 -1.26 -5.06 120.40 109.30 1h0h s VAL 843 Ca 0.00 -3.71 -0.29 0.00 -1.81 0.00 0.00 61.98 56.18 1h0h s VAL 843 Cb 0.00 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.23 1h0h s VAL 843 CO 0.00 -1.06 1.40 0.00 -0.31 0.00 0.00 175.10 175.13 1h0h s ASP 845 N 4.00 6.72 0.14 0.00 -1.08 -1.26 -4.90 116.67 120.29 1h0h s ASP 845 Ca 0.59 2.24 0.18 0.00 -0.52 0.00 0.00 52.55 55.04 1h0h s ASP 845 Cb -0.12 -2.55 0.77 0.00 -1.46 0.00 0.00 42.92 39.56 1h0h s ASP 845 CO 0.31 -0.85 1.55 -2.65 0.52 0.00 0.00 175.17 174.05 1h0h n PRO 846 N 6.16 0.10 0.28 4.34 -0.02 -1.26 -2.21 135.00 142.38 1h0h n PRO 846 Ca 0.15 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 1h0h n PRO 846 Cb 0.42 -1.70 0.80 0.00 -0.02 0.00 0.00 33.50 33.00 1h0h n PRO 846 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h0h h ARG 847 N 0.00 0.00 -2.26 -0.52 3.08 -1.98 -3.34 114.38 109.36 1h0h h ARG 847 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1h0h h ARG 847 Cb 0.26 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.90 1h0h h ARG 847 CO 0.00 0.08 -0.85 0.66 -1.07 0.00 0.00 179.97 178.80 1h0h n TYR 848 N -3.48 1.37 0.78 3.04 4.01 -0.94 -4.25 117.16 117.70 1h0h n TYR 848 Ca -0.02 -3.82 0.13 0.00 -0.16 0.00 0.00 57.90 54.03 1h0h n TYR 848 Cb 0.22 -0.36 0.32 0.00 -0.31 0.00 0.00 39.34 39.20 1h0h n TYR 848 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1h0h n PRO 849 N 1.50 0.15 -4.17 -0.72 -0.04 -0.93 -4.04 135.00 126.76 1h0h n PRO 849 Ca 0.25 0.07 -0.29 0.00 -0.04 0.00 0.00 63.50 63.49 1h0h n PRO 849 Cb 0.46 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 1h0h n PRO 849 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1h0h s PHE 850 N -3.08 2.89 -0.07 0.54 0.08 0.07 -4.78 117.98 113.64 1h0h s PHE 850 Ca 0.10 -0.08 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 1h0h s PHE 850 Cb 0.15 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1h0h s PHE 850 CO 0.66 0.47 0.63 0.42 -0.10 0.00 0.00 175.22 177.30 1h0h s ILE 851 N -1.35 5.06 -0.07 0.64 1.01 -0.15 -0.26 121.20 126.08 1h0h s ILE 851 Ca 0.25 1.30 0.03 0.00 0.00 0.00 0.00 60.65 62.22 1h0h s ILE 851 Cb -0.11 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1h0h s ILE 851 CO 0.17 0.29 -0.16 0.00 0.00 0.00 0.00 174.94 175.24 1h0h s SER 853 N -0.29 3.79 0.02 0.00 0.15 -0.12 -1.74 113.70 115.51 1h0h s SER 853 Ca 0.02 -0.82 0.07 0.00 0.70 0.00 0.00 55.95 55.92 1h0h s SER 853 Cb -0.13 -0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1h0h s SER 853 CO 0.03 0.08 -0.21 0.42 1.20 0.00 0.00 173.24 174.76 1h0h s THR 854 N -1.97 2.55 0.14 6.45 -4.23 -0.41 -1.47 115.64 116.69 1h0h s THR 854 Ca 0.25 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1h0h s THR 854 Cb -0.07 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.76 1h0h s THR 854 CO 0.14 0.40 0.25 0.00 -0.54 0.00 0.00 174.62 174.86 1h0h n TYR 855 N 1.80 -1.23 -3.89 3.99 0.18 -0.95 -4.69 117.16 112.39 1h0h n TYR 855 Ca -0.16 -0.76 -0.22 0.00 1.88 0.00 0.00 57.90 58.63 1h0h n TYR 855 Cb 0.52 0.29 -0.05 0.00 -0.38 0.00 0.00 39.34 39.72 1h0h n TYR 855 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1h0h s ARG 856 N -2.14 2.48 0.27 -3.48 0.52 -1.26 -3.42 118.95 111.91 1h0h s ARG 856 Ca 0.08 -1.53 0.10 0.00 -0.52 0.00 0.00 55.73 53.86 1h0h s ARG 856 Cb -0.01 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 1h0h s ARG 856 CO 0.06 -0.01 -0.17 0.14 0.02 0.00 0.00 175.30 175.34 1h0h s VAL 857 N -2.44 2.23 0.28 3.52 -7.23 -1.26 -5.01 120.40 110.50 1h0h s VAL 857 Ca 0.42 -2.33 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1h0h s VAL 857 Cb -0.02 -2.27 0.25 0.00 0.56 0.00 0.00 36.38 34.90 1h0h s VAL 857 CO 0.25 -0.43 1.95 0.74 -0.31 0.00 0.00 175.10 177.30 1h0h h THR 858 N 2.32 1.23 0.00 5.32 2.02 -1.95 -3.04 112.91 118.81 1h0h h THR 858 Ca -0.40 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1h0h h THR 858 Cb 1.25 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1h0h h THR 858 CO 0.62 0.22 0.00 -0.33 0.37 0.00 0.00 175.52 176.40 1h0h h GLU 859 N 1.18 0.00 -6.19 6.66 3.07 -1.95 -3.43 114.58 113.92 1h0h h GLU 859 Ca 0.31 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.61 1h0h h GLU 859 Cb -0.11 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.70 1h0h h GLU 859 CO -0.07 0.00 -0.65 -1.01 -1.40 0.00 0.00 179.01 175.89 1h0h s HIS 860 N -3.14 2.66 -0.18 4.33 3.76 -1.15 -4.78 115.29 116.79 1h0h s HIS 860 Ca 0.10 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1h0h s HIS 860 Cb 0.11 -1.21 0.04 0.00 1.11 0.00 0.00 32.58 32.63 1h0h s HIS 860 CO 0.58 0.61 -0.09 -0.46 -0.85 0.00 0.00 174.74 174.54 1h0h s TRP 861 N -2.35 2.14 0.00 1.40 -0.11 -1.26 -4.70 118.94 114.06 1h0h s TRP 861 Ca 0.32 -1.37 0.00 0.00 1.22 0.00 0.00 56.10 56.27 1h0h s TRP 861 Cb -0.06 -1.52 0.00 0.00 -1.50 0.00 0.00 33.47 30.39 1h0h s TRP 861 CO 0.20 -0.69 0.00 1.04 -4.62 0.00 0.00 176.95 172.88 1h0h n GLN 862 N 4.76 0.00 0.00 5.86 1.13 -1.26 0.11 117.38 127.98 1h0h n GLN 862 Ca -0.14 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.00 1h0h n GLN 862 Cb 0.47 0.00 0.43 0.00 0.11 0.00 0.00 30.24 31.26 1h0h n GLN 862 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1h0h n THR 863 N 0.00 0.19 -0.64 5.09 -2.24 -1.26 -3.97 114.28 111.45 1h0h n THR 863 Ca 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1h0h n THR 863 Cb 0.00 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1h0h n THR 863 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 864 N -0.03 1.09 0.21 3.38 0.00 0.12 -3.50 105.19 106.44 1h0h n GLY 864 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1h0h n GLY 864 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1h0h h LEU 865 N 0.00 -0.51 -0.44 0.99 5.85 -1.83 0.33 115.31 119.70 1h0h h LEU 865 Ca 0.00 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1h0h h LEU 865 Cb 0.00 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1h0h h LEU 865 CO 0.00 -0.18 -0.00 0.24 -0.34 0.00 0.00 178.44 178.16 1h0h h MET 866 N -0.06 0.78 0.00 1.25 2.86 -1.92 -3.03 114.93 114.82 1h0h h MET 866 Ca 0.20 -0.25 -0.24 0.00 -2.06 0.00 0.00 59.70 57.35 1h0h h MET 866 Cb 0.36 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1h0h h MET 866 CO -0.45 0.85 -1.53 1.79 1.06 0.00 0.00 176.91 178.63 1h0h h THR 867 N 0.63 0.77 -0.06 2.22 1.35 -1.74 -2.98 112.91 113.11 1h0h h THR 867 Ca 0.13 -2.48 -0.04 0.00 -0.55 0.00 0.00 66.41 63.47 1h0h h THR 867 Cb 0.50 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1h0h h THR 867 CO 0.02 0.44 -0.13 0.03 -0.25 0.00 0.00 175.52 175.63 1h0h h ARG 868 N 0.00 0.09 -0.25 4.72 3.08 -0.47 -2.23 114.38 119.32 1h0h h ARG 868 Ca -0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1h0h h ARG 868 Cb 1.83 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.87 1h0h h ARG 868 CO 0.07 0.23 0.00 0.09 -1.07 0.00 0.00 179.97 179.29 1h0h n ASN 869 N -4.33 1.77 -4.21 7.04 3.02 -1.14 -4.69 115.26 112.71 1h0h n ASN 869 Ca -0.02 -1.84 -0.40 0.00 -0.03 0.00 0.00 54.58 52.29 1h0h n ASN 869 Cb 0.23 -0.17 -0.09 0.00 -0.61 0.00 0.00 39.78 39.15 1h0h n ASN 869 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1h0h s THR 870 N -1.67 4.14 0.27 3.41 2.01 -0.84 -4.93 115.64 118.03 1h0h s THR 870 Ca 0.28 -1.77 0.00 0.00 0.31 0.00 0.00 61.69 60.52 1h0h s THR 870 Cb 0.15 -3.71 0.27 0.00 0.01 0.00 0.00 72.50 69.22 1h0h s THR 870 CO 0.22 -0.74 1.69 -0.65 -0.69 0.00 0.00 174.62 174.44 1h0h h PRO 871 N 8.42 0.33 -0.21 4.92 0.11 -1.83 -1.02 132.00 142.71 1h0h h PRO 871 Ca -0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1h0h h PRO 871 Cb 1.07 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1h0h h PRO 871 CO 0.84 0.22 0.09 -1.49 -0.21 0.00 0.00 178.00 177.44 1h0h h TRP 872 N 0.34 0.28 0.10 0.65 6.55 -1.95 0.84 115.95 122.75 1h0h h TRP 872 Ca 0.50 -0.00 -0.16 0.00 0.95 0.00 0.00 58.89 60.18 1h0h h TRP 872 Cb 0.92 -0.09 0.01 0.00 -0.86 0.00 0.00 29.16 29.14 1h0h h TRP 872 CO -0.20 0.22 -0.73 -0.07 -1.05 0.00 0.00 178.44 176.61 1h0h h LEU 873 N 0.29 0.32 -1.18 -4.49 3.38 -1.46 -3.24 115.31 108.92 1h0h h LEU 873 Ca 0.08 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 57.19 1h0h h LEU 873 Cb 0.06 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1h0h h LEU 873 CO -0.01 1.34 0.57 0.25 0.09 0.00 0.00 178.44 180.68 1h0h h LEU 874 N -0.55 0.87 -0.91 1.67 5.85 -1.24 -1.26 115.31 119.74 1h0h h LEU 874 Ca -0.14 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1h0h h LEU 874 Cb 1.49 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 1h0h h LEU 874 CO 0.08 0.55 0.55 -0.08 -0.34 0.00 0.00 178.44 179.20 1h0h h GLU 875 N 0.98 0.86 0.00 1.25 4.81 -0.90 -0.82 114.58 120.77 1h0h h GLU 875 Ca 0.38 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.38 1h0h h GLU 875 Cb 0.22 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1h0h h GLU 875 CO -0.14 0.57 -0.85 0.00 -0.73 0.00 0.00 179.01 177.86 1h0h h ALA 876 N 1.50 0.59 -2.09 2.92 0.00 -1.28 -3.39 119.26 117.51 1h0h h ALA 876 Ca 0.45 -0.75 -0.54 0.00 0.00 0.00 0.00 54.91 54.07 1h0h h ALA 876 Cb 0.43 -0.11 -0.36 0.00 0.00 0.00 0.00 17.79 17.74 1h0h h ALA 876 CO -0.26 1.00 -0.98 0.39 0.00 0.00 0.00 179.25 179.40 1h0h n GLU 877 N -3.59 0.39 0.19 0.00 -0.58 -0.81 -5.02 120.64 111.23 1h0h n GLU 877 Ca -0.02 -3.07 0.13 0.00 -0.42 0.00 0.00 57.16 53.78 1h0h n GLU 877 Cb 0.80 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 30.44 1h0h n GLU 877 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1h0h h PRO 878 N 5.02 0.00 -3.53 3.49 0.13 -1.37 -3.42 132.00 132.31 1h0h h PRO 878 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.17 1h0h h PRO 878 Cb 0.92 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.84 1h0h h PRO 878 CO 0.38 0.00 -0.49 -0.65 -0.23 0.00 0.00 178.00 177.00 1h0h s GLN 879 N -3.21 0.49 0.21 0.86 -0.21 -1.26 -4.56 119.66 111.97 1h0h s GLN 879 Ca 0.08 -0.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.72 1h0h s GLN 879 Cb 0.07 0.20 -0.16 0.00 1.00 0.00 0.00 33.01 34.13 1h0h s GLN 879 CO 0.64 -0.12 0.92 -1.33 -2.12 0.00 0.00 175.29 173.28 1h0h n MET 880 N 1.39 0.80 -4.32 2.91 2.81 -0.11 -4.88 117.12 115.72 1h0h n MET 880 Ca -0.23 0.28 -0.17 0.00 -1.81 0.00 0.00 57.70 55.78 1h0h n MET 880 Cb 0.56 -1.60 -0.10 0.00 -0.71 0.00 0.00 33.22 31.37 1h0h n MET 880 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1h0h s PHE 881 N -0.69 1.53 -0.13 2.03 -0.12 -1.26 -1.70 117.98 117.64 1h0h s PHE 881 Ca 0.67 -1.02 -0.02 0.00 -0.05 0.00 0.00 56.93 56.51 1h0h s PHE 881 Cb -0.86 -0.90 0.04 0.00 -0.63 0.00 0.00 43.02 40.68 1h0h s PHE 881 CO 0.56 -0.15 0.01 0.00 -0.05 0.00 0.00 175.22 175.59 1h0h s GLU 883 N 1.89 4.46 0.08 0.00 2.02 0.21 -0.11 118.70 127.24 1h0h s GLU 883 Ca 0.02 0.96 -0.13 0.00 0.02 0.00 0.00 54.97 55.85 1h0h s GLU 883 Cb -0.14 -3.43 0.02 0.00 0.10 0.00 0.00 34.13 30.67 1h0h s GLU 883 CO -0.07 0.11 0.29 0.00 0.02 0.00 0.00 175.26 175.61 1h0h s MET 884 N 0.62 0.88 0.74 1.61 0.23 -0.51 -1.49 119.30 121.38 1h0h s MET 884 Ca 0.39 -0.70 -0.11 0.00 -1.03 0.00 0.00 55.69 54.25 1h0h s MET 884 Cb -0.19 0.37 0.04 0.00 -1.53 0.00 0.00 34.83 33.53 1h0h s MET 884 CO 0.20 -0.30 1.08 -1.54 -2.03 0.00 0.00 175.02 172.43 1h0h s SER 885 N -2.49 4.89 0.30 -1.18 1.04 -1.26 -0.44 113.70 114.56 1h0h s SER 885 Ca -0.00 1.64 -0.02 0.00 0.48 0.00 0.00 55.95 58.05 1h0h s SER 885 Cb 0.02 -2.43 0.43 0.00 0.10 0.00 0.00 66.02 64.14 1h0h s SER 885 CO -0.08 -1.76 1.97 -0.33 0.98 0.00 0.00 173.24 174.02 1h0h h GLU 886 N -0.94 1.10 0.17 4.02 5.08 -1.79 -1.91 114.58 120.31 1h0h h GLU 886 Ca -0.44 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1h0h h GLU 886 Cb 1.23 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1h0h h GLU 886 CO 0.55 0.73 -0.08 0.93 -1.00 0.00 0.00 179.01 180.14 1h0h h GLU 887 N 1.13 -0.22 -0.48 2.33 3.07 -1.92 -0.29 114.58 118.20 1h0h h GLU 887 Ca 0.31 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 1h0h h GLU 887 Cb -0.13 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1h0h h GLU 887 CO -0.07 -0.11 0.24 1.25 -1.40 0.00 0.00 179.01 178.93 1h0h h LEU 888 N -0.28 0.61 -0.62 1.33 6.46 -1.93 -0.07 115.31 120.82 1h0h h LEU 888 Ca -0.02 -0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1h0h h LEU 888 Cb 0.22 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1h0h h LEU 888 CO 0.04 0.55 0.31 0.00 -0.62 0.00 0.00 178.44 178.72 1h0h h ALA 889 N 1.09 0.82 -0.11 1.25 0.00 -1.16 -0.45 119.26 120.70 1h0h h ALA 889 Ca 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1h0h h ALA 889 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1h0h h ALA 889 CO -0.02 -0.06 0.04 1.15 0.00 0.00 0.00 179.25 180.36 1h0h h THR 890 N 0.56 1.16 -0.97 0.00 2.02 -0.62 0.33 112.91 115.38 1h0h h THR 890 Ca 0.29 -0.48 0.14 0.00 0.77 0.00 0.00 66.41 67.13 1h0h h THR 890 Cb 0.25 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 1h0h h THR 890 CO -0.22 0.14 0.61 0.25 0.37 0.00 0.00 175.52 176.68 1h0h h LEU 891 N 0.01 0.82 -2.11 2.58 5.85 -0.55 -2.25 115.31 119.66 1h0h h LEU 891 Ca 0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1h0h h LEU 891 Cb 0.19 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1h0h h LEU 891 CO -0.00 0.41 0.00 0.54 -0.34 0.00 0.00 178.44 179.05 1h0h n ARG 892 N -4.62 2.38 -2.82 1.25 5.12 -0.22 -4.95 116.66 112.80 1h0h n ARG 892 Ca 0.19 -2.08 -0.17 0.00 -1.93 0.00 0.00 57.85 53.86 1h0h n ARG 892 Cb 0.43 -1.49 0.03 0.00 -1.16 0.00 0.00 32.46 30.26 1h0h n ARG 892 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h0h n GLY 893 N 1.44 -0.24 3.85 -0.13 0.00 -0.30 -4.59 105.19 105.22 1h0h n GLY 893 Ca 0.19 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1h0h n GLY 893 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h0h s ILE 894 N -3.02 5.38 0.13 -0.61 1.01 -0.05 -4.93 121.20 119.11 1h0h s ILE 894 Ca 0.22 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.10 1h0h s ILE 894 Cb -0.10 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1h0h s ILE 894 CO 0.28 0.60 -0.02 -0.75 0.00 0.00 0.00 174.94 175.05 1h0h s LYS 895 N -0.91 2.39 0.05 2.79 2.20 -1.26 -4.53 119.74 120.46 1h0h s LYS 895 Ca 0.14 -1.01 -0.36 0.00 -0.36 0.00 0.00 55.97 54.39 1h0h s LYS 895 Cb -0.12 -2.40 -0.15 0.00 -1.51 0.00 0.00 37.83 33.65 1h0h s LYS 895 CO 0.03 0.49 1.54 -1.71 -0.36 0.00 0.00 175.35 175.34 1h0h n ASN 896 N 0.26 2.47 0.00 1.43 5.15 -1.26 -1.30 115.26 122.01 1h0h n ASN 896 Ca -0.11 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.96 1h0h n ASN 896 Cb 0.54 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1h0h n ASN 896 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h0h n GLY 897 N 3.27 1.37 3.75 8.20 0.00 0.74 -4.98 105.19 117.53 1h0h n GLY 897 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1h0h n GLY 897 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h0h s ASP 898 N -3.18 5.35 0.13 1.61 1.01 -0.42 -4.42 116.67 116.75 1h0h s ASP 898 Ca 0.00 2.66 -0.30 0.00 0.71 0.00 0.00 52.55 55.61 1h0h s ASP 898 Cb 0.00 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1h0h s ASP 898 CO 0.00 -1.51 1.13 -0.75 0.21 0.00 0.00 175.17 174.25 1h0h s LYS 899 N -2.94 4.54 0.17 8.23 2.20 -1.26 -0.77 119.74 129.90 1h0h s LYS 899 Ca 0.72 1.73 0.08 0.00 -0.36 0.00 0.00 55.97 58.13 1h0h s LYS 899 Cb -0.38 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1h0h s LYS 899 CO 0.44 -0.04 -0.17 0.14 -0.36 0.00 0.00 175.35 175.36 1h0h s VAL 900 N 0.22 1.72 -0.15 4.02 -7.23 0.75 -0.90 120.40 118.84 1h0h s VAL 900 Ca 0.52 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1h0h s VAL 900 Cb -0.29 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1h0h s VAL 900 CO 0.33 -0.39 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.03 1h0h s ILE 901 N -2.26 3.59 -0.11 -0.62 -1.09 0.16 -1.33 121.20 119.54 1h0h s ILE 901 Ca 0.16 -0.46 -0.04 0.00 -2.23 0.00 0.00 60.65 58.08 1h0h s ILE 901 Cb -0.04 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 1h0h s ILE 901 CO 0.06 0.50 0.03 -0.76 -1.23 0.00 0.00 174.94 173.54 1h0h s LEU 902 N 0.46 3.74 -0.02 2.97 1.02 -0.20 -1.26 118.68 125.39 1h0h s LEU 902 Ca -0.05 0.18 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 1h0h s LEU 902 Cb -0.15 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.18 1h0h s LEU 902 CO 0.03 0.34 0.06 -0.70 0.02 0.00 0.00 176.35 176.10 1h0h s GLU 903 N -0.64 0.11 0.29 1.70 2.12 -0.90 -1.41 118.70 119.98 1h0h s GLU 903 Ca 0.11 0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1h0h s GLU 903 Cb -0.12 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.31 1h0h s GLU 903 CO 0.02 -0.02 0.13 -1.13 -0.54 0.00 0.00 175.26 173.73 1h0h n SER 904 N 2.89 0.83 0.27 -1.70 3.41 -0.35 -0.94 113.62 118.03 1h0h n SER 904 Ca -0.13 -2.63 0.14 0.00 -0.26 0.00 0.00 58.87 55.99 1h0h n SER 904 Cb 0.59 0.87 0.77 0.00 -0.26 0.00 0.00 64.21 66.17 1h0h n SER 904 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1h0h h VAL 905 N 1.56 0.46 0.00 -3.33 -1.51 -1.86 -2.93 116.25 108.64 1h0h h VAL 905 Ca -0.23 -0.48 -0.09 0.00 -1.23 0.00 0.00 66.70 64.68 1h0h h VAL 905 Cb 0.91 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1h0h h VAL 905 CO 0.35 0.09 -0.71 0.03 -1.23 0.00 0.00 177.57 176.11 1h0h h ARG 906 N 0.00 0.00 0.00 5.19 -0.00 -1.83 -3.50 114.38 114.24 1h0h h ARG 906 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1h0h h ARG 906 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.29 1h0h h ARG 906 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 179.97 180.68 1h0h n GLY 907 N 1.24 -0.90 3.36 0.04 0.00 -1.11 -4.83 105.19 102.99 1h0h n GLY 907 Ca -0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1h0h n GLY 907 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h0h s LYS 908 N -1.19 0.97 0.18 1.61 -2.85 -1.26 -1.21 119.74 115.99 1h0h s LYS 908 Ca 0.00 -0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 54.57 1h0h s LYS 908 Cb 0.00 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1h0h s LYS 908 CO 0.00 -0.34 0.44 -0.48 0.10 0.00 0.00 175.35 175.07 1h0h s LEU 909 N -1.91 0.39 0.18 2.77 0.05 -0.50 -4.97 118.68 114.70 1h0h s LEU 909 Ca -0.06 -0.59 0.05 0.00 0.05 0.00 0.00 54.13 53.58 1h0h s LEU 909 Cb -0.01 1.82 -0.04 0.00 -2.05 0.00 0.00 46.19 45.91 1h0h s LEU 909 CO -0.01 -0.99 0.21 -1.66 -0.55 0.00 0.00 176.35 173.35 1h0h s TRP 910 N -3.90 3.26 0.16 3.48 1.48 -1.26 -1.04 118.94 121.12 1h0h s TRP 910 Ca 0.11 -0.00 -0.14 0.00 -1.06 0.00 0.00 56.10 55.01 1h0h s TRP 910 Cb 0.01 -1.54 0.02 0.00 -1.16 0.00 0.00 33.47 30.80 1h0h s TRP 910 CO -0.03 0.51 0.40 0.00 -4.06 0.00 0.00 176.95 173.77 1h0h s ALA 911 N -1.84 -0.63 -0.20 2.67 0.00 -0.44 -4.76 121.76 116.56 1h0h s ALA 911 Ca 0.32 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 1h0h s ALA 911 Cb -0.10 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1h0h s ALA 911 CO 0.26 -0.69 0.29 0.15 0.00 0.00 0.00 175.76 175.76 1h0h s LYS 912 N -3.88 4.17 0.08 0.00 -0.14 -0.69 -0.17 119.74 119.12 1h0h s LYS 912 Ca 0.09 0.02 -0.31 0.00 -1.36 0.00 0.00 55.97 54.41 1h0h s LYS 912 Cb 0.01 -3.50 -0.07 0.00 -1.68 0.00 0.00 37.83 32.60 1h0h s LYS 912 CO -0.05 0.09 1.30 0.00 -0.76 0.00 0.00 175.35 175.93 1h0h s ALA 913 N 0.93 3.50 -0.47 5.17 0.00 0.05 -0.57 121.76 130.37 1h0h s ALA 913 Ca 0.14 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 1h0h s ALA 913 Cb -0.14 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.61 1h0h s ALA 913 CO 0.05 -0.55 0.27 0.42 0.00 0.00 0.00 175.76 175.95 1h0h s ILE 914 N 1.15 3.33 -0.11 0.00 1.01 0.84 -0.19 121.20 127.24 1h0h s ILE 914 Ca 0.62 -2.38 -0.30 0.00 0.00 0.00 0.00 60.65 58.59 1h0h s ILE 914 Cb -0.33 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1h0h s ILE 914 CO 0.29 -0.75 1.05 -0.63 0.00 0.00 0.00 174.94 174.90 1h0h s ILE 915 N 0.72 4.68 0.01 2.92 1.01 -1.26 -1.43 121.20 127.85 1h0h s ILE 915 Ca 0.11 1.96 -0.01 0.00 0.00 0.00 0.00 60.65 62.72 1h0h s ILE 915 Cb -0.22 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 1h0h s ILE 915 CO -0.04 -0.02 -0.00 0.28 0.00 0.00 0.00 174.94 175.16 1h0h s THR 916 N 2.21 0.06 -1.71 2.92 -1.32 0.42 -4.94 115.64 113.27 1h0h s THR 916 Ca 0.49 -0.47 0.30 0.00 -1.21 0.00 0.00 61.69 60.80 1h0h s THR 916 Cb -0.19 -0.16 0.64 0.00 -1.51 0.00 0.00 72.50 71.28 1h0h s THR 916 CO 0.17 -0.26 2.05 0.29 -2.21 0.00 0.00 174.62 174.67 1h0h n LYS 917 N 2.28 0.73 0.00 7.08 5.02 -1.26 -3.55 118.16 128.46 1h0h n LYS 917 Ca -0.18 -0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.13 1h0h n LYS 917 Cb 0.57 -1.50 0.59 0.00 -0.02 0.00 0.00 35.03 34.68 1h0h n LYS 917 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1h0h n ARG 918 N -1.05 0.17 -4.78 1.97 1.74 -1.26 -4.64 116.66 108.81 1h0h n ARG 918 Ca 0.18 0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 57.06 1h0h n ARG 918 Cb 0.21 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.99 1h0h n ARG 918 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1h0h s ILE 919 N -2.80 1.36 0.09 0.55 1.01 -1.23 -1.34 121.20 118.84 1h0h s ILE 919 Ca 0.18 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1h0h s ILE 919 Cb 0.17 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1h0h s ILE 919 CO 0.43 0.40 -0.10 -0.54 0.00 0.00 0.00 174.94 175.13 1h0h s LYS 920 N 0.17 0.83 0.74 2.79 1.02 -1.26 -4.22 119.74 119.81 1h0h s LYS 920 Ca -0.06 -1.12 -0.13 0.00 0.02 0.00 0.00 55.97 54.67 1h0h s LYS 920 Cb -0.12 -0.54 0.05 0.00 -0.52 0.00 0.00 37.83 36.70 1h0h s LYS 920 CO 0.03 0.09 1.13 -2.14 -0.92 0.00 0.00 175.35 173.54 1h0h s PRO 921 N -2.66 2.23 -0.12 -1.68 0.02 -1.26 -4.84 135.00 126.69 1h0h s PRO 921 Ca 0.04 1.44 -0.06 0.00 0.02 0.00 0.00 61.00 62.44 1h0h s PRO 921 Cb -0.04 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1h0h s PRO 921 CO 0.00 -1.70 0.11 -0.06 -0.33 0.00 0.00 177.00 175.02 1h0h s PHE 922 N -2.45 3.50 -0.25 6.54 0.08 0.06 -4.91 117.98 120.55 1h0h s PHE 922 Ca 0.67 0.45 -0.06 0.00 0.12 0.00 0.00 56.93 58.11 1h0h s PHE 922 Cb -0.22 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1h0h s PHE 922 CO 0.49 0.67 0.04 0.00 -0.10 0.00 0.00 175.22 176.31 1h0h s ALA 923 N -0.95 3.02 -0.21 5.36 0.00 -1.26 0.10 121.76 127.83 1h0h s ALA 923 Ca 0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1h0h s ALA 923 Cb -0.12 -1.98 0.07 0.00 0.00 0.00 0.00 23.12 21.09 1h0h s ALA 923 CO 0.03 -0.60 0.09 0.42 0.00 0.00 0.00 175.76 175.70 1h0h s ILE 924 N 1.54 0.08 -0.90 0.00 -1.09 0.41 -4.75 121.20 116.48 1h0h s ILE 924 Ca 0.05 -0.43 -0.04 0.00 -2.23 0.00 0.00 60.65 58.00 1h0h s ILE 924 Cb -0.15 -0.80 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 1h0h s ILE 924 CO 0.01 -0.39 0.78 0.00 -1.23 0.00 0.00 174.94 174.11 1h0h n GLN 925 N 5.21 -5.19 -0.83 2.79 6.02 -1.26 -2.49 117.38 121.63 1h0h n GLN 925 Ca -0.07 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1h0h n GLN 925 Cb 0.47 -4.86 0.00 0.00 1.02 0.00 0.00 30.24 26.86 1h0h n GLN 925 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h0h n GLY 926 N -1.36 0.87 3.38 1.08 0.00 -1.26 -5.00 105.19 102.89 1h0h n GLY 926 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1h0h n GLY 926 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h0h s GLN 927 N -0.17 2.98 -0.58 1.61 0.74 -1.04 -5.08 119.66 118.11 1h0h s GLN 927 Ca 0.00 -0.73 -0.20 0.00 0.05 0.00 0.00 55.36 54.48 1h0h s GLN 927 Cb 0.00 -2.47 0.08 0.00 1.10 0.00 0.00 33.01 31.72 1h0h s GLN 927 CO 0.00 0.36 0.74 -0.65 -0.55 0.00 0.00 175.29 175.19 1h0h s GLN 928 N -0.06 3.09 -0.25 1.67 -1.52 -1.26 -0.44 119.66 120.89 1h0h s GLN 928 Ca -0.03 -1.07 -0.18 0.00 -1.95 0.00 0.00 55.36 52.13 1h0h s GLN 928 Cb -0.14 -4.20 -0.03 0.00 -0.22 0.00 0.00 33.01 28.42 1h0h s GLN 928 CO 0.04 -1.49 0.52 0.08 -0.25 0.00 0.00 175.29 174.19 1h0h s VAL 929 N 2.96 5.07 -0.19 1.09 1.01 0.12 -4.90 120.40 125.55 1h0h s VAL 929 Ca 0.15 0.91 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 1h0h s VAL 929 Cb -0.21 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1h0h s VAL 929 CO 0.09 0.10 0.21 -1.00 0.00 0.00 0.00 175.10 174.51 1h0h s HIS 930 N 2.18 3.41 -0.08 5.22 0.09 -1.26 -0.76 115.29 124.09 1h0h s HIS 930 Ca 0.22 0.43 0.04 0.00 -0.00 0.00 0.00 55.06 55.75 1h0h s HIS 930 Cb -0.16 -2.27 -0.01 0.00 -0.00 0.00 0.00 32.58 30.14 1h0h s HIS 930 CO 0.09 0.20 -0.22 1.41 -0.00 0.00 0.00 174.74 176.23 1h0h s MET 931 N 0.61 2.84 0.40 1.40 0.00 -1.26 -0.97 119.30 122.32 1h0h s MET 931 Ca 0.12 -0.84 0.07 0.00 0.00 0.00 0.00 55.69 55.04 1h0h s MET 931 Cb -0.12 -2.30 -0.07 0.00 0.00 0.00 0.00 34.83 32.34 1h0h s MET 931 CO 0.02 0.31 0.06 0.14 0.00 0.00 0.00 175.02 175.55 1h0h s VAL 932 N 0.03 2.15 0.01 10.11 -7.23 0.19 -4.69 120.40 120.98 1h0h s VAL 932 Ca -0.08 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1h0h s VAL 932 Cb -0.15 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 1h0h s VAL 932 CO 0.05 -0.03 -0.04 -0.83 -0.31 0.00 0.00 175.10 173.95 1h0h s GLY 933 N -3.77 0.24 0.04 2.32 0.00 -0.55 -0.95 107.32 104.65 1h0h s GLY 933 Ca 0.37 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1h0h s GLY 933 CO 0.19 -0.41 -0.04 -0.26 0.00 0.00 0.00 173.10 172.58 1h0h s ILE 934 N -0.74 0.27 0.41 0.90 -4.36 -0.54 -0.62 121.20 116.51 1h0h s ILE 934 Ca -0.06 -1.23 -0.12 0.00 -0.26 0.00 0.00 60.65 58.98 1h0h s ILE 934 Cb -0.05 -0.73 -0.07 0.00 1.25 0.00 0.00 42.46 42.86 1h0h s ILE 934 CO -0.00 -0.62 0.80 -2.16 0.24 0.00 0.00 174.94 173.19 1h0h s PRO 935 N -2.23 3.84 -0.32 0.37 0.04 -1.26 -2.23 135.00 133.21 1h0h s PRO 935 Ca -0.07 0.57 0.09 0.00 0.04 0.00 0.00 61.00 61.62 1h0h s PRO 935 Cb -0.05 -2.36 0.58 0.00 0.04 0.00 0.00 34.50 32.71 1h0h s PRO 935 CO -0.03 -0.04 1.61 -2.67 0.04 0.00 0.00 177.00 175.91 1h0h n TRP 936 N -1.19 1.72 0.36 0.56 4.27 -1.22 -4.45 117.44 117.50 1h0h n TRP 936 Ca 0.03 -1.52 0.08 0.00 -3.89 0.00 0.00 57.50 52.19 1h0h n TRP 936 Cb 0.54 -0.60 0.22 0.00 -1.36 0.00 0.00 31.31 30.11 1h0h n TRP 936 CO 0.00 0.00 0.00 0.72 -2.29 0.00 0.00 177.69 176.12 1h0h n HIS 937 N -0.94 0.73 -4.41 -2.67 8.25 -1.25 -4.36 115.22 110.57 1h0h n HIS 937 Ca 0.39 -0.34 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 1h0h n HIS 937 Cb 1.22 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 32.20 1h0h n HIS 937 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1h0h s TYR 938 N -1.42 2.43 -0.07 4.41 1.51 -1.23 -3.63 117.35 119.35 1h0h s TYR 938 Ca 0.33 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.79 1h0h s TYR 938 Cb 0.18 -1.06 0.08 0.00 -0.11 0.00 0.00 41.96 41.05 1h0h s TYR 938 CO 0.21 0.68 0.75 0.20 -1.11 0.00 0.00 175.55 176.28 1h0h s GLY 939 N -3.54 -0.51 0.59 0.71 0.00 -1.12 -2.38 107.32 101.06 1h0h s GLY 939 Ca 0.30 1.47 0.38 0.00 0.00 0.00 0.00 44.72 46.87 1h0h s GLY 939 CO 0.17 0.97 2.17 0.11 0.00 0.00 0.00 173.10 176.52 1h0h h TRP 940 N 2.90 0.00 0.00 1.90 5.08 -1.89 -3.10 115.95 120.84 1h0h h TRP 940 Ca -0.25 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.68 1h0h h TRP 940 Cb 1.15 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.30 1h0h h TRP 940 CO 0.36 0.00 -0.18 0.66 -1.28 0.00 0.00 178.44 178.00 1h0h h SER 941 N 0.00 0.00 -2.07 0.11 4.64 -1.94 -3.46 113.55 110.82 1h0h h SER 941 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1h0h h SER 941 Cb 0.07 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.82 1h0h h SER 941 CO 0.00 0.18 0.93 0.12 -0.87 0.00 0.00 176.83 177.19 1h0h s PHE 942 N -3.57 -0.01 0.53 4.77 5.36 -1.17 -4.87 117.98 119.02 1h0h s PHE 942 Ca 0.01 0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 55.94 1h0h s PHE 942 Cb 0.09 0.50 0.12 0.00 -0.34 0.00 0.00 43.02 43.39 1h0h s PHE 942 CO 0.63 -0.00 0.72 -0.35 -1.46 0.00 0.00 175.22 174.76 1h0h n PRO 943 N 1.47 -0.43 -0.23 10.12 -0.04 -1.26 -4.53 135.00 140.10 1h0h n PRO 943 Ca -0.10 -1.37 0.03 0.00 -0.04 0.00 0.00 63.50 62.02 1h0h n PRO 943 Cb 0.57 -0.67 0.27 0.00 -0.04 0.00 0.00 33.50 33.63 1h0h n PRO 943 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1h0h h LYS 944 N 0.00 0.94 -0.49 0.54 2.10 -1.89 -3.01 116.57 114.76 1h0h h LYS 944 Ca -0.24 -0.06 -0.36 0.00 -2.00 0.00 0.00 60.65 58.00 1h0h h LYS 944 Cb 0.71 -0.21 -0.28 0.00 -0.90 0.00 0.00 32.23 31.55 1h0h h LYS 944 CO 0.19 0.62 -0.68 -1.71 -2.00 0.00 0.00 179.45 175.87 1h0h n ASN 945 N -4.45 3.83 0.01 7.07 5.15 -1.26 -4.66 115.26 120.95 1h0h n ASN 945 Ca 0.10 -3.81 -0.11 0.00 -0.60 0.00 0.00 54.58 50.16 1h0h n ASN 945 Cb 0.11 -0.42 -0.14 0.00 -0.53 0.00 0.00 39.78 38.81 1h0h n ASN 945 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1h0h h GLY 946 N 1.76 0.08 0.00 8.20 0.00 -1.77 -3.46 103.07 107.89 1h0h h GLY 946 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1h0h h GLY 946 CO 0.51 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.84 1h0h n GLY 947 N 1.59 -0.79 0.05 4.60 0.00 -1.26 -0.93 105.19 108.46 1h0h n GLY 947 Ca -0.16 -2.23 -0.00 0.00 0.00 0.00 0.00 46.02 43.63 1h0h n GLY 947 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h0h n ASP 948 N 0.00 1.28 -4.72 1.61 -0.08 -1.26 -2.79 116.55 110.59 1h0h n ASP 948 Ca 0.00 -1.03 -0.42 0.00 -1.51 0.00 0.00 54.79 51.83 1h0h n ASP 948 Cb 0.00 0.01 -0.03 0.00 2.34 0.00 0.00 41.12 43.44 1h0h n ASP 948 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h0h s ALA 949 N -2.02 3.43 0.49 -1.67 0.00 -1.00 -4.22 121.76 116.77 1h0h s ALA 949 Ca 0.00 0.92 0.19 0.00 0.00 0.00 0.00 51.96 53.07 1h0h s ALA 949 Cb 0.00 -3.45 1.21 0.00 0.00 0.00 0.00 23.12 20.89 1h0h s ALA 949 CO 0.00 -0.43 2.01 0.00 0.00 0.00 0.00 175.76 177.34 1h0h h ALA 950 N 6.25 2.21 0.00 0.00 0.00 -1.80 -1.58 119.26 124.34 1h0h h ALA 950 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1h0h h ALA 950 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1h0h h ALA 950 CO 0.80 -0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1h0h n ASN 951 N -4.44 0.00 0.24 0.00 3.02 -1.26 -1.49 115.26 111.33 1h0h n ASN 951 Ca 0.08 0.10 0.10 0.00 -0.03 0.00 0.00 54.58 54.83 1h0h n ASN 951 Cb 0.43 -0.24 0.69 0.00 -0.61 0.00 0.00 39.78 40.06 1h0h n ASN 951 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1h0h h ILE 952 N 0.00 0.89 0.00 2.41 2.04 -1.63 0.18 117.51 121.39 1h0h h ILE 952 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1h0h h ILE 952 Cb 0.06 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1h0h h ILE 952 CO 0.00 0.00 -1.27 0.18 0.00 0.00 0.00 178.15 177.06 1h0h n LEU 953 N -4.40 0.69 -4.85 1.44 4.77 -0.55 -3.51 117.00 110.60 1h0h n LEU 953 Ca -0.02 0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.91 1h0h n LEU 953 Cb 0.14 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1h0h n LEU 953 CO 0.33 -0.08 0.46 0.42 -1.33 0.00 0.00 177.39 177.19 1h0h s THR 954 N -3.29 4.64 0.52 -5.08 -4.23 -1.11 -4.57 115.64 102.51 1h0h s THR 954 Ca -0.02 1.01 0.09 0.00 -1.18 0.00 0.00 61.69 61.59 1h0h s THR 954 Cb 0.10 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.38 1h0h s THR 954 CO 0.81 -0.25 0.71 -2.16 -0.54 0.00 0.00 174.62 173.20 1h0h s PRO 955 N -3.12 2.49 0.81 3.99 0.04 -1.26 -1.38 135.00 136.56 1h0h s PRO 955 Ca 0.55 -1.47 -0.14 0.00 0.04 0.00 0.00 61.00 59.99 1h0h s PRO 955 Cb -0.10 -2.68 0.19 0.00 0.04 0.00 0.00 34.50 31.95 1h0h s PRO 955 CO 0.18 -0.65 1.06 -1.13 0.04 0.00 0.00 177.00 176.50 1h0h n SER 956 N -2.11 -0.07 0.17 6.66 3.41 -1.26 -2.79 113.62 117.63 1h0h n SER 956 Ca 0.13 -1.36 0.13 0.00 -0.26 0.00 0.00 58.87 57.51 1h0h n SER 956 Cb 0.61 -0.82 0.42 0.00 -0.26 0.00 0.00 64.21 64.15 1h0h n SER 956 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1h0h h VAL 957 N -1.69 0.00 0.00 -3.33 -1.51 -1.11 -3.35 116.25 105.26 1h0h h VAL 957 Ca -0.35 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 1h0h h VAL 957 Cb 0.96 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1h0h h VAL 957 CO 0.24 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.19 1h0h n GLY 958 N 0.72 5.45 0.28 5.19 0.00 -1.26 -4.91 105.19 110.67 1h0h n GLY 958 Ca 0.03 -0.93 0.18 0.00 0.00 0.00 0.00 46.02 45.30 1h0h n GLY 958 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1h0h h ASN 959 N 0.00 0.00 -3.49 1.61 2.35 -1.95 -3.44 115.58 110.66 1h0h h ASN 959 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1h0h h ASN 959 Cb 0.00 0.00 0.17 0.00 0.05 0.00 0.00 38.32 38.54 1h0h h ASN 959 CO 0.00 0.00 -0.04 -2.65 -1.65 0.00 0.00 177.43 173.10 1h0h n PRO 960 N -3.10 0.64 -0.02 0.81 -0.02 -1.26 -4.93 135.00 127.13 1h0h n PRO 960 Ca 0.00 0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1h0h n PRO 960 Cb 0.29 -2.06 -0.13 0.00 -0.02 0.00 0.00 33.50 31.58 1h0h n PRO 960 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1h0h n ASN 961 N -0.75 0.59 -3.44 2.55 4.05 -1.26 -4.34 115.26 112.67 1h0h n ASN 961 Ca 0.13 0.27 -0.19 0.00 0.45 0.00 0.00 54.58 55.24 1h0h n ASN 961 Cb 0.48 0.42 -0.04 0.00 1.23 0.00 0.00 39.78 41.88 1h0h n ASN 961 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1h0h n THR 962 N -2.86 0.00 0.00 -0.44 -2.24 -1.26 -4.30 114.28 103.18 1h0h n THR 962 Ca -0.17 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1h0h n THR 962 Cb 0.96 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1h0h n THR 962 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 963 N 0.91 0.32 3.68 3.38 0.00 -1.26 -4.74 105.19 107.49 1h0h n GLY 963 Ca -0.10 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1h0h n GLY 963 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h0h s ILE 964 N 0.00 4.31 0.14 -0.61 1.01 -1.26 -1.38 121.20 123.41 1h0h s ILE 964 Ca 0.00 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 1h0h s ILE 964 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 1h0h s ILE 964 CO 0.00 -0.03 1.06 -2.16 0.00 0.00 0.00 174.94 173.81 1h0h s PRO 965 N 2.44 4.61 -0.86 2.79 0.05 -1.26 -0.57 135.00 142.21 1h0h s PRO 965 Ca 0.55 1.62 -0.24 0.00 0.05 0.00 0.00 61.00 62.98 1h0h s PRO 965 Cb -0.23 -3.32 0.06 0.00 0.05 0.00 0.00 34.50 31.05 1h0h s PRO 965 CO 0.20 0.09 1.28 -2.00 0.05 0.00 0.00 177.00 176.62 1h0h s GLU 966 N -0.07 3.38 0.30 4.56 2.56 -1.12 -4.63 118.70 123.69 1h0h s GLU 966 Ca 0.49 -0.86 0.23 0.00 0.00 0.00 0.00 54.97 54.83 1h0h s GLU 966 Cb -0.27 -4.73 0.23 0.00 2.00 0.00 0.00 34.13 31.36 1h0h s GLU 966 CO 0.32 -2.07 1.36 1.79 -0.56 0.00 0.00 175.26 176.10 1h0h h THR 967 N 6.29 0.00 0.00 -1.70 1.35 -1.92 -3.37 112.91 113.56 1h0h h THR 967 Ca -0.04 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 1h0h h THR 967 Cb 1.03 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 1h0h h THR 967 CO 1.30 0.00 -1.03 0.11 -0.25 0.00 0.00 175.52 175.65 1h0h h LYS 968 N 0.00 0.00 -2.17 4.72 1.79 -1.87 -1.08 116.57 117.95 1h0h h LYS 968 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1h0h h LYS 968 Cb 0.97 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.39 1h0h h LYS 968 CO 0.00 0.05 -0.16 0.00 -1.08 0.00 0.00 179.45 178.26 1h0h s ALA 969 N -3.28 -1.72 0.11 3.86 0.00 -1.25 -4.11 121.76 115.38 1h0h s ALA 969 Ca -0.01 2.11 -0.25 0.00 0.00 0.00 0.00 51.96 53.81 1h0h s ALA 969 Cb 0.09 -1.51 0.07 0.00 0.00 0.00 0.00 23.12 21.77 1h0h s ALA 969 CO 0.79 -0.70 0.62 -0.59 0.00 0.00 0.00 175.76 175.88 1h0h s PHE 970 N 2.39 -0.57 0.01 0.00 -0.71 -0.71 -4.94 117.98 113.45 1h0h s PHE 970 Ca -0.06 0.52 -0.17 0.00 -1.04 0.00 0.00 56.93 56.18 1h0h s PHE 970 Cb -0.10 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.17 1h0h s PHE 970 CO -0.17 -0.79 0.47 -1.64 -1.34 0.00 0.00 175.22 171.75 1h0h s MET 971 N -3.12 4.07 0.30 1.99 -1.94 -1.26 0.01 119.30 119.35 1h0h s MET 971 Ca -0.02 0.52 -0.07 0.00 -1.71 0.00 0.00 55.69 54.41 1h0h s MET 971 Cb -0.01 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.58 1h0h s MET 971 CO -0.07 0.60 0.47 0.14 -0.01 0.00 0.00 175.02 176.14 1h0h s VAL 972 N -0.84 0.00 0.20 -6.03 -7.23 0.64 -4.59 120.40 102.55 1h0h s VAL 972 Ca 0.26 -1.52 0.09 0.00 -1.81 0.00 0.00 61.98 59.00 1h0h s VAL 972 Cb -0.17 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1h0h s VAL 972 CO 0.15 0.00 -0.10 0.21 -0.31 0.00 0.00 175.10 175.05 1h0h s ASN 973 N -3.14 4.21 -0.07 4.85 2.47 -0.12 -0.75 114.94 122.40 1h0h s ASN 973 Ca 0.27 -0.63 0.03 0.00 0.42 0.00 0.00 52.86 52.94 1h0h s ASN 973 Cb -0.00 -0.69 0.01 0.00 -1.45 0.00 0.00 41.25 39.12 1h0h s ASN 973 CO 0.15 0.08 -0.14 -0.69 -3.72 0.00 0.00 177.10 172.78 1h0h s VAL 974 N -1.84 1.28 0.01 -5.21 1.01 -1.26 -2.11 120.40 112.28 1h0h s VAL 974 Ca 0.26 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1h0h s VAL 974 Cb -0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1h0h s VAL 974 CO 0.16 0.39 -0.01 -0.89 0.00 0.00 0.00 175.10 174.74 1h0h s THR 975 N 0.60 0.04 0.21 3.92 2.01 -0.39 -4.97 115.64 117.07 1h0h s THR 975 Ca -0.15 -0.32 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 1h0h s THR 975 Cb -0.16 -0.10 -0.11 0.00 0.01 0.00 0.00 72.50 72.14 1h0h s THR 975 CO 0.05 -0.17 1.58 -0.75 -0.69 0.00 0.00 174.62 174.63 1h0h s LYS 976 N -0.52 4.19 0.00 4.92 2.20 -1.26 0.40 119.74 129.67 1h0h s LYS 976 Ca -0.06 2.44 0.22 0.00 -0.36 0.00 0.00 55.97 58.21 1h0h s LYS 976 Cb -0.04 -3.11 1.31 0.00 -1.51 0.00 0.00 37.83 34.49 1h0h s LYS 976 CO -0.00 -0.61 1.69 0.00 -0.36 0.00 0.00 175.35 176.07