#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajk s THR 2 N 0.00 3.04 0.00 -0.44 2.01 -1.25 -4.94 115.64 114.07 1ajk s THR 2 Ca 0.00 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1ajk s THR 2 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1ajk s THR 2 CO 0.00 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1ajk n GLY 3 N 4.20 0.53 3.76 4.40 0.00 -1.26 -2.90 105.19 113.92 1ajk n GLY 3 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ajk n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ajk s ILE 4 N 3.85 4.97 -0.04 -0.61 -1.09 -1.26 -1.27 121.20 125.75 1ajk s ILE 4 Ca 0.00 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 1ajk s ILE 4 Cb 0.00 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1ajk s ILE 4 CO 0.00 0.41 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.32 1ajk s VAL 5 N -0.07 0.97 -0.02 2.92 1.01 -0.17 -0.74 120.40 124.29 1ajk s VAL 5 Ca 0.30 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1ajk s VAL 5 Cb -0.18 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1ajk s VAL 5 CO 0.16 0.30 -0.21 -0.44 0.00 0.00 0.00 175.10 174.90 1ajk s SER 6 N 0.29 3.46 0.17 3.32 0.01 -0.53 -1.54 113.70 118.88 1ajk s SER 6 Ca -0.06 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.78 1ajk s SER 6 Cb -0.11 -0.54 -0.02 0.00 0.21 0.00 0.00 66.02 65.56 1ajk s SER 6 CO 0.01 0.32 0.21 -0.94 0.41 0.00 0.00 173.24 173.26 1ajk s SER 7 N -0.73 0.13 -0.07 2.44 1.04 -0.45 -0.85 113.70 115.21 1ajk s SER 7 Ca 0.11 -1.08 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 1ajk s SER 7 Cb -0.10 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.46 1ajk s SER 7 CO 0.00 -0.86 0.13 0.12 0.98 0.00 0.00 173.24 173.61 1ajk s PHE 8 N -4.03 -0.12 0.17 5.02 5.36 -0.56 -3.12 117.98 120.70 1ajk s PHE 8 Ca 0.24 0.51 -0.18 0.00 -0.96 0.00 0.00 56.93 56.54 1ajk s PHE 8 Cb 0.05 -0.29 0.04 0.00 -0.34 0.00 0.00 43.02 42.47 1ajk s PHE 8 CO 0.04 -0.24 0.51 -0.59 -1.46 0.00 0.00 175.22 173.48 1ajk s PHE 9 N 2.12 -0.21 0.14 10.12 -0.71 -0.20 -1.29 117.98 127.96 1ajk s PHE 9 Ca 0.02 -0.11 0.04 0.00 -1.04 0.00 0.00 56.93 55.84 1ajk s PHE 9 Cb -0.12 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1ajk s PHE 9 CO -0.05 -0.86 0.17 0.95 -1.34 0.00 0.00 175.22 174.09 1ajk s THR 10 N -3.84 4.78 -0.16 -4.49 -4.23 -0.51 -0.40 115.64 106.79 1ajk s THR 10 Ca 0.06 -0.87 -0.19 0.00 -1.18 0.00 0.00 61.69 59.51 1ajk s THR 10 Cb -0.00 -3.41 0.05 0.00 1.34 0.00 0.00 72.50 70.47 1ajk s THR 10 CO -0.07 -0.04 0.51 -0.47 -0.54 0.00 0.00 174.62 174.01 1ajk s TYR 11 N -1.67 -0.53 0.06 3.99 5.04 -0.11 -2.38 117.35 121.75 1ajk s TYR 11 Ca 0.32 1.24 -0.12 0.00 -2.44 0.00 0.00 57.07 56.07 1ajk s TYR 11 Cb -0.11 0.20 0.01 0.00 0.35 0.00 0.00 41.96 42.42 1ajk s TYR 11 CO 0.25 -0.32 0.27 -0.08 -1.34 0.00 0.00 175.55 174.33 1ajk s THR 12 N -0.03 0.10 -0.12 4.34 -1.32 -0.90 -0.47 115.64 117.24 1ajk s THR 12 Ca -0.02 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1ajk s THR 12 Cb -0.03 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1ajk s THR 12 CO 0.02 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.59 1ajk n GLY 13 N 0.39 -1.21 0.39 6.08 0.00 -1.23 -2.00 105.19 107.61 1ajk n GLY 13 Ca -0.18 -0.87 0.21 0.00 0.00 0.00 0.00 46.02 45.18 1ajk n GLY 13 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ajk h PRO 14 N 0.00 0.00 0.00 1.61 0.11 -1.59 0.47 132.00 132.59 1ajk h PRO 14 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ajk h PRO 14 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ajk h PRO 14 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1ajk h ALA 15 N 1.66 1.00 -0.16 -0.75 0.00 -1.97 0.25 119.26 119.30 1ajk h ALA 15 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ajk h ALA 15 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ajk h ALA 15 CO -0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1ajk n HIS 16 N -2.57 0.20 -1.82 0.00 8.25 0.16 -4.97 115.22 114.47 1ajk n HIS 16 Ca -0.01 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1ajk n HIS 16 Cb 0.12 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1ajk n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ajk n GLY 17 N 0.83 0.38 3.27 -1.41 0.00 0.89 -4.92 105.19 104.23 1ajk n GLY 17 Ca 0.11 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1ajk n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ajk s THR 18 N -2.00 0.19 0.80 2.61 -4.23 -1.05 -4.96 115.64 107.00 1ajk s THR 18 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1ajk s THR 18 Cb 0.00 -2.53 0.08 0.00 1.34 0.00 0.00 72.50 71.38 1ajk s THR 18 CO 0.00 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.19 1ajk s GLN 19 N -3.97 1.98 -0.53 3.99 -2.07 -1.26 -1.74 119.66 116.06 1ajk s GLN 19 Ca 0.38 1.28 -0.26 0.00 -1.82 0.00 0.00 55.36 54.94 1ajk s GLN 19 Cb 0.06 -1.86 0.03 0.00 -1.09 0.00 0.00 33.01 30.16 1ajk s GLN 19 CO 0.15 -1.87 1.03 -0.46 -1.32 0.00 0.00 175.29 172.82 1ajk s TRP 20 N -2.80 2.78 -0.05 9.60 -0.00 -1.26 -3.53 118.94 123.67 1ajk s TRP 20 Ca 0.63 0.28 0.05 0.00 -0.00 0.00 0.00 56.10 57.06 1ajk s TRP 20 Cb -0.19 -4.20 -0.01 0.00 -0.00 0.00 0.00 33.47 29.07 1ajk s TRP 20 CO 0.56 -1.34 -0.21 -0.51 -0.00 0.00 0.00 176.95 175.44 1ajk s ASP 21 N 2.69 2.65 -0.25 5.86 1.11 -0.85 -1.08 116.67 126.81 1ajk s ASP 21 Ca 0.37 -0.44 -0.24 0.00 0.18 0.00 0.00 52.55 52.42 1ajk s ASP 21 Cb -0.10 -0.77 0.07 0.00 1.07 0.00 0.00 42.92 43.19 1ajk s ASP 21 CO 0.24 0.20 0.68 -0.70 1.18 0.00 0.00 175.17 176.76 1ajk s GLU 22 N -0.03 0.80 -0.07 8.23 2.12 -0.29 -2.12 118.70 127.32 1ajk s GLU 22 Ca -0.05 0.92 0.04 0.00 0.36 0.00 0.00 54.97 56.24 1ajk s GLU 22 Cb -0.13 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1ajk s GLU 22 CO 0.03 -0.10 -0.20 0.42 -0.54 0.00 0.00 175.26 174.87 1ajk s ILE 23 N 0.31 1.74 0.17 -3.70 1.01 -1.00 -0.40 121.20 119.33 1ajk s ILE 23 Ca -0.00 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 59.90 1ajk s ILE 23 Cb -0.05 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1ajk s ILE 23 CO 0.01 0.49 -0.22 -1.81 0.00 0.00 0.00 174.94 173.41 1ajk s ASP 24 N 0.26 3.57 -0.15 3.58 1.01 -0.06 -1.42 116.67 123.46 1ajk s ASP 24 Ca -0.12 -0.78 -0.00 0.00 0.71 0.00 0.00 52.55 52.35 1ajk s ASP 24 Cb -0.16 -0.34 0.04 0.00 1.01 0.00 0.00 42.92 43.47 1ajk s ASP 24 CO 0.06 0.13 -0.06 -0.63 0.21 0.00 0.00 175.17 174.88 1ajk s ILE 25 N -1.53 1.09 0.04 0.77 1.01 -0.41 -2.88 121.20 119.28 1ajk s ILE 25 Ca 0.20 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1ajk s ILE 25 Cb -0.09 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1ajk s ILE 25 CO 0.10 0.18 -0.09 -1.61 0.00 0.00 0.00 174.94 173.52 1ajk s GLU 26 N 1.65 0.61 -0.15 2.79 2.02 -0.29 -1.50 118.70 123.83 1ajk s GLU 26 Ca 0.02 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1ajk s GLU 26 Cb -0.15 -0.48 0.02 0.00 0.10 0.00 0.00 34.13 33.62 1ajk s GLU 26 CO -0.08 0.11 -0.18 -0.06 0.02 0.00 0.00 175.26 175.07 1ajk s PHE 27 N -1.02 2.42 -0.07 1.61 0.40 -0.03 -1.08 117.98 120.20 1ajk s PHE 27 Ca -0.05 -1.34 -0.19 0.00 -0.60 0.00 0.00 56.93 54.76 1ajk s PHE 27 Cb -0.08 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1ajk s PHE 27 CO 0.01 -0.68 0.52 -0.51 0.70 0.00 0.00 175.22 175.26 1ajk s LEU 28 N 1.23 4.34 0.57 -0.37 1.43 -1.26 -1.46 118.68 123.16 1ajk s LEU 28 Ca 0.01 0.95 0.37 0.00 -1.03 0.00 0.00 54.13 54.44 1ajk s LEU 28 Cb -0.14 -2.77 1.86 0.00 0.03 0.00 0.00 46.19 45.17 1ajk s LEU 28 CO -0.09 0.06 2.13 1.23 0.23 0.00 0.00 176.35 179.91 1ajk h GLY 29 N 6.20 0.00 2.00 -3.19 0.00 -1.16 -2.09 103.07 104.83 1ajk h GLY 29 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1ajk h GLY 29 CO 0.72 0.00 -0.20 0.07 0.00 0.00 0.00 176.54 177.14 1ajk h LYS 30 N 0.00 0.00 -1.38 4.80 2.10 -1.92 -3.38 116.57 116.78 1ajk h LYS 30 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1ajk h LYS 30 Cb 0.20 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 31.29 1ajk h LYS 30 CO 0.00 0.20 -0.51 0.34 -2.00 0.00 0.00 179.45 177.48 1ajk s ASP 31 N -6.26 -0.49 -0.05 7.07 -1.08 -0.78 -5.01 116.67 110.07 1ajk s ASP 31 Ca -0.02 -0.65 0.06 0.00 -0.52 0.00 0.00 52.55 51.42 1ajk s ASP 31 Cb 0.12 1.46 0.26 0.00 -1.46 0.00 0.00 42.92 43.30 1ajk s ASP 31 CO 0.62 -0.26 1.02 0.35 0.52 0.00 0.00 175.17 177.41 1ajk n THR 32 N 4.83 0.73 1.35 1.71 -2.24 -1.25 -3.23 114.28 116.19 1ajk n THR 32 Ca 0.07 -0.43 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1ajk n THR 32 Cb 0.52 -0.22 0.43 0.00 -2.10 0.00 0.00 70.33 68.96 1ajk n THR 32 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ajk n THR 33 N 0.22 0.00 -4.41 4.28 -2.24 -1.26 -0.82 114.28 110.05 1ajk n THR 33 Ca 0.09 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 1ajk n THR 33 Cb 0.45 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1ajk n THR 33 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ajk s LYS 34 N -2.27 1.50 0.06 -0.78 1.02 -1.20 -0.75 119.74 117.32 1ajk s LYS 34 Ca 0.30 -1.69 0.05 0.00 0.02 0.00 0.00 55.97 54.66 1ajk s LYS 34 Cb 0.20 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.08 1ajk s LYS 34 CO 0.43 0.23 -0.13 0.54 -0.92 0.00 0.00 175.35 175.50 1ajk s VAL 35 N -2.78 1.05 -0.16 3.17 0.11 -0.37 -4.69 120.40 116.73 1ajk s VAL 35 Ca 0.26 -1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1ajk s VAL 35 Cb -0.02 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1ajk s VAL 35 CO 0.11 -0.15 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.04 1ajk s GLN 36 N -1.49 3.39 0.03 1.54 0.74 -0.25 -0.91 119.66 122.71 1ajk s GLN 36 Ca -0.01 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1ajk s GLN 36 Cb -0.09 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.24 1ajk s GLN 36 CO 0.02 0.10 0.06 -0.06 -0.55 0.00 0.00 175.29 174.86 1ajk s PHE 37 N 0.66 3.19 0.20 1.67 0.08 -0.21 -1.13 117.98 122.44 1ajk s PHE 37 Ca -0.06 0.12 -0.23 0.00 0.12 0.00 0.00 56.93 56.88 1ajk s PHE 37 Cb -0.15 -1.67 0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1ajk s PHE 37 CO 0.02 0.52 0.89 1.21 -0.10 0.00 0.00 175.22 177.76 1ajk s ASN 38 N -1.95 -0.19 0.03 1.36 2.47 -1.14 -0.93 114.94 114.58 1ajk s ASN 38 Ca 0.24 -0.49 -0.28 0.00 0.42 0.00 0.00 52.86 52.75 1ajk s ASN 38 Cb -0.12 0.57 0.08 0.00 -1.45 0.00 0.00 41.25 40.33 1ajk s ASN 38 CO 0.16 -1.06 0.68 -0.72 -3.72 0.00 0.00 177.10 172.45 1ajk s TYR 39 N -3.42 -0.58 -0.04 0.43 1.13 -1.26 -0.88 117.35 112.73 1ajk s TYR 39 Ca 0.12 0.73 0.06 0.00 -1.41 0.00 0.00 57.07 56.58 1ajk s TYR 39 Cb -0.03 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.30 1ajk s TYR 39 CO 0.04 -0.68 -0.24 0.71 -2.51 0.00 0.00 175.55 172.87 1ajk s TYR 40 N -2.29 2.24 -0.18 -3.49 1.51 0.46 -4.40 117.35 111.21 1ajk s TYR 40 Ca -0.05 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1ajk s TYR 40 Cb -0.00 -1.47 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1ajk s TYR 40 CO -0.01 -0.14 -0.12 0.99 -1.11 0.00 0.00 175.55 175.17 1ajk s THR 41 N -0.30 1.60 -1.49 -0.71 2.01 -0.64 -1.14 115.64 114.97 1ajk s THR 41 Ca 0.01 -0.85 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 1ajk s THR 41 Cb -0.12 -1.61 0.07 0.00 0.01 0.00 0.00 72.50 70.85 1ajk s THR 41 CO 0.02 0.28 1.04 -3.20 -0.69 0.00 0.00 174.62 172.07 1ajk n ASN 42 N 4.73 -5.18 0.00 3.53 4.05 -0.26 -0.99 115.26 121.13 1ajk n ASN 42 Ca -0.15 -0.72 0.00 0.00 0.45 0.00 0.00 54.58 54.15 1ajk n ASN 42 Cb 0.48 -4.16 0.00 0.00 1.23 0.00 0.00 39.78 37.33 1ajk n ASN 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ajk n GLY 43 N -1.77 1.56 3.58 8.20 0.00 -0.24 -4.76 105.19 111.76 1ajk n GLY 43 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1ajk n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ajk s VAL 44 N -3.55 5.16 0.00 1.61 1.01 -0.16 -5.04 120.40 119.44 1ajk s VAL 44 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1ajk s VAL 44 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ajk s VAL 44 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1ajk n GLY 45 N 4.80 2.60 1.70 4.51 0.00 -1.26 -1.62 105.19 115.93 1ajk n GLY 45 Ca -0.09 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1ajk n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajk n GLY 46 N 5.00 0.49 1.46 -0.02 0.00 -1.26 -4.94 105.19 105.92 1ajk n GLY 46 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 1ajk n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ajk n HIS 47 N -2.85 1.67 -2.00 1.61 8.25 -1.26 -5.04 115.22 115.60 1ajk n HIS 47 Ca 0.00 -1.53 -0.41 0.00 -0.26 0.00 0.00 57.72 55.52 1ajk n HIS 47 Cb 0.00 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.50 1ajk n HIS 47 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ajk s GLU 48 N -3.18 4.26 -0.08 -0.41 8.01 -1.26 -4.46 118.70 121.58 1ajk s GLU 48 Ca 0.48 2.34 -0.00 0.00 0.01 0.00 0.00 54.97 57.80 1ajk s GLU 48 Cb 0.42 -3.06 0.02 0.00 -4.31 0.00 0.00 34.13 27.21 1ajk s GLU 48 CO 0.05 -0.36 -0.05 0.21 0.01 0.00 0.00 175.26 175.12 1ajk s LYS 49 N -1.36 1.06 -0.18 1.61 2.47 -0.11 -4.98 119.74 118.25 1ajk s LYS 49 Ca 0.54 -0.11 -0.05 0.00 -1.56 0.00 0.00 55.97 54.78 1ajk s LYS 49 Cb -0.42 -1.17 -0.03 0.00 -1.46 0.00 0.00 37.83 34.75 1ajk s LYS 49 CO 0.52 -0.20 0.01 0.08 0.16 0.00 0.00 175.35 175.92 1ajk s VAL 50 N 1.47 4.22 -0.11 4.02 1.01 -1.26 -1.04 120.40 128.71 1ajk s VAL 50 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1ajk s VAL 50 Cb -0.13 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ajk s VAL 50 CO -0.04 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.85 1ajk s ILE 51 N 0.61 3.91 -0.02 2.22 -1.09 -0.09 -4.96 121.20 121.78 1ajk s ILE 51 Ca 0.00 -0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 57.75 1ajk s ILE 51 Cb -0.14 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1ajk s ILE 51 CO 0.02 0.55 1.06 -0.44 -1.23 0.00 0.00 174.94 174.90 1ajk s SER 52 N -0.24 7.24 0.10 3.58 0.01 -1.26 -1.24 113.70 121.89 1ajk s SER 52 Ca 0.04 1.72 0.05 0.00 1.31 0.00 0.00 55.95 59.07 1ajk s SER 52 Cb -0.13 -2.57 -0.23 0.00 0.21 0.00 0.00 66.02 63.31 1ajk s SER 52 CO 0.02 -0.39 1.22 -0.07 0.41 0.00 0.00 173.24 174.44 1ajk h LEU 53 N 7.25 0.10 0.00 2.44 3.38 -1.29 -3.48 115.31 123.71 1ajk h LEU 53 Ca -0.38 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1ajk h LEU 53 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1ajk h LEU 53 CO 0.80 1.08 0.00 0.61 0.09 0.00 0.00 178.44 181.03 1ajk n GLY 54 N 1.40 0.73 3.58 0.83 0.00 -1.26 -5.02 105.19 105.46 1ajk n GLY 54 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1ajk n GLY 54 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ajk s PHE 55 N -2.83 0.17 -0.47 1.61 -0.12 -1.26 -5.12 117.98 109.95 1ajk s PHE 55 Ca 0.00 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.18 1ajk s PHE 55 Cb 0.00 0.29 0.06 0.00 -0.63 0.00 0.00 43.02 42.74 1ajk s PHE 55 CO 0.00 -0.98 0.46 0.34 -0.05 0.00 0.00 175.22 175.00 1ajk s ASP 56 N -2.96 6.17 0.59 1.98 -1.08 -1.26 -4.31 116.67 115.81 1ajk s ASP 56 Ca 0.17 -1.10 0.29 0.00 -0.52 0.00 0.00 52.55 51.39 1ajk s ASP 56 Cb -0.01 -2.22 1.56 0.00 -1.46 0.00 0.00 42.92 40.79 1ajk s ASP 56 CO 0.05 -0.70 1.99 0.00 0.52 0.00 0.00 175.17 177.02 1ajk h ALA 57 N 8.82 1.98 0.00 3.66 0.00 -1.33 -2.07 119.26 130.32 1ajk h ALA 57 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ajk h ALA 57 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ajk h ALA 57 CO 0.89 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 1ajk n SER 58 N -3.72 0.00 -0.08 0.00 3.41 -1.26 -3.29 113.62 108.67 1ajk n SER 58 Ca 0.05 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1ajk n SER 58 Cb 0.50 -0.37 0.19 0.00 -0.26 0.00 0.00 64.21 64.27 1ajk n SER 58 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ajk n LYS 59 N -1.37 0.26 -3.79 4.33 4.76 -0.78 -4.85 118.16 116.71 1ajk n LYS 59 Ca 0.09 -0.17 -0.03 0.00 -2.87 0.00 0.00 58.31 55.33 1ajk n LYS 59 Cb 0.22 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1ajk n LYS 59 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ajk s GLY 60 N -2.86 -0.11 0.05 0.72 0.00 -1.21 -5.13 107.32 98.79 1ajk s GLY 60 Ca 0.14 -0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.62 1ajk s GLY 60 CO 0.69 0.83 0.63 -1.36 0.00 0.00 0.00 173.10 173.89 1ajk s PHE 61 N -2.82 3.76 0.16 1.90 0.08 -1.26 -4.52 117.98 115.27 1ajk s PHE 61 Ca 0.16 1.32 0.05 0.00 0.12 0.00 0.00 56.93 58.57 1ajk s PHE 61 Cb -0.02 -2.62 -0.05 0.00 -0.57 0.00 0.00 43.02 39.77 1ajk s PHE 61 CO 0.03 0.44 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.48 1ajk s HIS 62 N -0.59 1.33 -0.23 0.36 3.76 -1.14 -4.93 115.29 113.85 1ajk s HIS 62 Ca 0.32 -0.75 -0.08 0.00 -0.15 0.00 0.00 55.06 54.40 1ajk s HIS 62 Cb -0.20 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.78 1ajk s HIS 62 CO 0.20 0.10 0.09 0.99 -0.85 0.00 0.00 174.74 175.27 1ajk s THR 63 N -3.30 4.66 0.07 1.30 2.01 -1.26 -1.55 115.64 117.57 1ajk s THR 63 Ca 0.18 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1ajk s THR 63 Cb 0.02 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1ajk s THR 63 CO 0.02 0.36 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.89 1ajk s TYR 64 N 1.23 2.73 0.07 4.92 1.51 0.30 -0.26 117.35 127.84 1ajk s TYR 64 Ca 0.05 -0.16 -0.18 0.00 -1.01 0.00 0.00 57.07 55.77 1ajk s TYR 64 Cb -0.14 -1.47 0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1ajk s TYR 64 CO 0.04 0.38 0.43 0.00 -1.11 0.00 0.00 175.55 175.30 1ajk s ALA 65 N -1.12 -1.05 -0.01 3.71 0.00 -0.80 -0.47 121.76 122.02 1ajk s ALA 65 Ca 0.19 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1ajk s ALA 65 Cb -0.11 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1ajk s ALA 65 CO 0.11 -0.53 -0.05 -0.59 0.00 0.00 0.00 175.76 174.70 1ajk s PHE 66 N -2.93 0.54 -0.34 0.00 -0.12 0.07 -0.51 117.98 114.70 1ajk s PHE 66 Ca -0.02 -0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 56.64 1ajk s PHE 66 Cb 0.00 -0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.00 1ajk s PHE 66 CO -0.06 -0.05 0.19 0.34 -0.05 0.00 0.00 175.22 175.60 1ajk s ASP 67 N 0.13 5.72 -0.38 1.98 2.15 0.11 -0.66 116.67 125.71 1ajk s ASP 67 Ca -0.01 -0.65 -0.07 0.00 0.43 0.00 0.00 52.55 52.24 1ajk s ASP 67 Cb -0.05 -2.04 0.06 0.00 -0.30 0.00 0.00 42.92 40.59 1ajk s ASP 67 CO -0.00 -0.27 0.19 0.86 -0.17 0.00 0.00 175.17 175.78 1ajk s TRP 68 N 1.62 3.32 0.53 -5.34 -0.00 -0.16 -1.36 118.94 117.55 1ajk s TRP 68 Ca 0.04 -1.56 0.00 0.00 -0.00 0.00 0.00 56.10 54.58 1ajk s TRP 68 Cb -0.18 -2.68 -0.00 0.00 -0.00 0.00 0.00 33.47 30.61 1ajk s TRP 68 CO 0.07 -0.80 0.00 -0.65 -0.00 0.00 0.00 176.95 175.57 1ajk s GLN 69 N 1.39 2.24 0.42 5.86 -1.52 0.09 -1.09 119.66 127.05 1ajk s GLN 69 Ca 0.01 -2.45 0.12 0.00 -1.95 0.00 0.00 55.36 51.09 1ajk s GLN 69 Cb -0.21 -1.51 0.91 0.00 -0.22 0.00 0.00 33.01 31.98 1ajk s GLN 69 CO 0.02 -0.41 1.96 -1.35 -0.25 0.00 0.00 175.29 175.26 1ajk h PRO 70 N 1.28 0.10 -0.02 2.91 0.11 -1.98 -3.03 132.00 131.37 1ajk h PRO 70 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ajk h PRO 70 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ajk h PRO 70 CO 0.73 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 1ajk n GLY 71 N -0.97 -0.27 3.59 -0.55 0.00 -1.26 -4.85 105.19 100.88 1ajk n GLY 71 Ca -0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1ajk n GLY 71 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ajk s TYR 72 N -0.91 -0.40 -0.06 1.61 -0.85 -1.15 -4.64 117.35 110.95 1ajk s TYR 72 Ca 0.13 0.10 0.06 0.00 -0.52 0.00 0.00 57.07 56.83 1ajk s TYR 72 Cb 0.09 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 43.04 1ajk s TYR 72 CO 0.14 -1.00 -0.23 0.42 -1.52 0.00 0.00 175.55 173.36 1ajk s ILE 73 N -3.81 1.89 -0.09 -3.49 1.01 -0.61 -0.73 121.20 115.37 1ajk s ILE 73 Ca 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1ajk s ILE 73 Cb -0.03 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1ajk s ILE 73 CO -0.05 0.53 -0.19 -0.54 0.00 0.00 0.00 174.94 174.68 1ajk s LYS 74 N -0.09 2.55 -0.01 2.79 1.02 -0.46 -0.51 119.74 125.03 1ajk s LYS 74 Ca -0.04 -0.70 -0.00 0.00 0.02 0.00 0.00 55.97 55.24 1ajk s LYS 74 Cb -0.13 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1ajk s LYS 74 CO 0.03 0.09 0.07 -1.58 -0.92 0.00 0.00 175.35 173.04 1ajk s TRP 75 N 0.56 3.26 0.11 3.18 0.51 0.42 0.04 118.94 127.00 1ajk s TRP 75 Ca -0.15 0.19 0.07 0.00 -2.12 0.00 0.00 56.10 54.10 1ajk s TRP 75 Cb -0.17 -1.73 -0.03 0.00 -0.81 0.00 0.00 33.47 30.72 1ajk s TRP 75 CO 0.05 0.54 -0.18 0.71 -0.51 0.00 0.00 176.95 177.56 1ajk s TYR 76 N -1.16 1.61 -0.17 -1.98 1.51 0.34 -0.30 117.35 117.20 1ajk s TYR 76 Ca 0.22 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1ajk s TYR 76 Cb -0.12 -0.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1ajk s TYR 76 CO 0.12 0.18 -0.05 0.08 -1.11 0.00 0.00 175.55 174.77 1ajk s VAL 77 N -1.45 1.13 -1.47 0.71 1.01 -0.50 -1.90 120.40 117.93 1ajk s VAL 77 Ca 0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1ajk s VAL 77 Cb -0.09 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.05 1ajk s VAL 77 CO 0.04 0.14 0.74 0.47 0.00 0.00 0.00 175.10 176.48 1ajk n ASP 78 N 4.87 -2.48 0.00 3.32 8.00 0.64 -1.57 116.55 129.34 1ajk n ASP 78 Ca -0.12 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1ajk n ASP 78 Cb 0.48 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 1ajk n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ajk n GLY 79 N -1.69 0.84 3.41 0.44 0.00 -1.26 -5.02 105.19 101.92 1ajk n GLY 79 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1ajk n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ajk s VAL 80 N -3.39 4.02 0.24 1.61 1.01 -0.61 -5.06 120.40 118.22 1ajk s VAL 80 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1ajk s VAL 80 Cb 0.00 -2.86 -0.12 0.00 0.00 0.00 0.00 36.38 33.40 1ajk s VAL 80 CO 0.00 0.38 1.67 -0.11 0.00 0.00 0.00 175.10 177.04 1ajk n LEU 81 N 4.75 4.07 -0.00 3.92 7.94 -1.26 -1.41 117.00 135.01 1ajk n LEU 81 Ca -0.17 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1ajk n LEU 81 Cb 0.51 -1.57 -0.00 0.00 0.53 0.00 0.00 43.42 42.89 1ajk n LEU 81 CO 0.31 0.14 -0.51 0.29 -1.11 0.00 0.00 177.39 176.50 1ajk n LYS 82 N 3.28 0.74 -3.61 1.96 4.76 0.59 -4.94 118.16 120.94 1ajk n LYS 82 Ca 0.13 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 1ajk n LYS 82 Cb 0.35 -1.02 -0.07 0.00 -1.84 0.00 0.00 35.03 32.46 1ajk n LYS 82 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1ajk s HIS 83 N -2.04 -0.60 -0.07 2.13 2.46 -1.18 -5.00 115.29 110.99 1ajk s HIS 83 Ca -0.00 1.35 0.03 0.00 0.47 0.00 0.00 55.06 56.91 1ajk s HIS 83 Cb 0.00 0.35 0.01 0.00 -0.13 0.00 0.00 32.58 32.81 1ajk s HIS 83 CO 0.03 -0.36 -0.15 0.99 -2.47 0.00 0.00 174.74 172.78 1ajk s THR 84 N -0.14 1.32 0.07 0.89 2.01 -1.26 -0.44 115.64 118.09 1ajk s THR 84 Ca -0.01 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1ajk s THR 84 Cb -0.04 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1ajk s THR 84 CO 0.00 0.40 -0.10 0.00 -0.69 0.00 0.00 174.62 174.22 1ajk s ALA 85 N 0.53 2.92 0.00 7.40 0.00 0.33 -4.98 121.76 127.97 1ajk s ALA 85 Ca -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1ajk s ALA 85 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1ajk s ALA 85 CO 0.04 0.63 0.11 0.25 0.00 0.00 0.00 175.76 176.79 1ajk n THR 86 N 1.03 0.00 -3.86 0.00 -2.24 -1.26 -1.57 114.28 106.38 1ajk n THR 86 Ca -0.14 -0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 61.16 1ajk n THR 86 Cb 0.52 1.68 -0.08 0.00 -2.10 0.00 0.00 70.33 70.36 1ajk n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajk s ALA 87 N -0.02 3.70 -1.24 6.98 0.00 -1.26 -4.66 121.76 125.26 1ajk s ALA 87 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.06 1ajk s ALA 87 Cb 0.00 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1ajk s ALA 87 CO 0.00 0.37 0.63 -1.71 0.00 0.00 0.00 175.76 175.04 1ajk n ASN 88 N 2.85 -3.60 -4.78 0.00 4.05 -1.26 -4.90 115.26 107.63 1ajk n ASN 88 Ca -0.18 -1.16 -0.37 0.00 0.45 0.00 0.00 54.58 53.33 1ajk n ASN 88 Cb 0.53 -2.48 -0.05 0.00 1.23 0.00 0.00 39.78 39.01 1ajk n ASN 88 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1ajk s ILE 89 N -3.64 3.84 0.80 -1.44 -1.09 -1.26 -4.67 121.20 113.74 1ajk s ILE 89 Ca 0.38 1.48 -0.11 0.00 -2.23 0.00 0.00 60.65 60.17 1ajk s ILE 89 Cb -0.17 -3.80 0.07 0.00 -1.58 0.00 0.00 42.46 36.98 1ajk s ILE 89 CO 0.92 0.08 1.09 -2.16 -1.23 0.00 0.00 174.94 173.64 1ajk s PRO 90 N -2.27 2.09 0.00 2.79 0.04 -1.26 -4.99 135.00 131.40 1ajk s PRO 90 Ca 0.54 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1ajk s PRO 90 Cb -0.22 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1ajk s PRO 90 CO 0.28 -1.67 0.26 -1.13 0.04 0.00 0.00 177.00 174.78 1ajk n SER 91 N -3.50 0.00 -4.68 6.66 3.41 -1.26 -4.96 113.62 109.30 1ajk n SER 91 Ca 0.07 -1.00 -0.35 0.00 -0.26 0.00 0.00 58.87 57.33 1ajk n SER 91 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1ajk n SER 91 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ajk s THR 92 N 0.00 5.17 0.54 6.66 2.01 -1.26 -4.98 115.64 123.78 1ajk s THR 92 Ca 0.00 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 1ajk s THR 92 Cb 0.00 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 1ajk s THR 92 CO 0.00 0.43 1.23 -2.65 -0.69 0.00 0.00 174.62 172.94 1ajk n PRO 93 N 3.68 1.49 -4.22 4.92 -0.02 -1.26 -4.86 135.00 134.72 1ajk n PRO 93 Ca -0.16 0.55 -0.17 0.00 -2.02 0.00 0.00 63.50 61.70 1ajk n PRO 93 Cb 0.52 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 1ajk n PRO 93 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ajk s GLY 94 N -0.94 1.94 0.39 -1.23 0.00 -0.70 -4.71 107.32 102.06 1ajk s GLY 94 Ca 0.71 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 43.47 1ajk s GLY 94 CO 0.50 -1.34 0.74 0.54 0.00 0.00 0.00 173.10 173.54 1ajk s LYS 95 N -3.54 3.77 -0.09 2.90 1.02 0.38 -0.28 119.74 123.91 1ajk s LYS 95 Ca 0.38 0.42 -0.18 0.00 0.02 0.00 0.00 55.97 56.60 1ajk s LYS 95 Cb 0.03 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1ajk s LYS 95 CO 0.22 -0.00 0.50 0.42 -0.92 0.00 0.00 175.35 175.58 1ajk s ILE 96 N -2.32 5.12 0.04 2.17 1.01 -1.26 -0.93 121.20 125.03 1ajk s ILE 96 Ca 0.50 1.01 0.01 0.00 0.00 0.00 0.00 60.65 62.18 1ajk s ILE 96 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1ajk s ILE 96 CO 0.31 0.36 -0.05 -0.04 0.00 0.00 0.00 174.94 175.52 1ajk s MET 97 N 0.34 0.51 -0.02 2.79 -1.94 0.47 -0.63 119.30 120.82 1ajk s MET 97 Ca 0.27 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.41 1ajk s MET 97 Cb -0.16 -0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.62 1ajk s MET 97 CO 0.12 -0.02 -0.02 -1.64 -0.01 0.00 0.00 175.02 173.45 1ajk s MET 98 N -2.19 0.38 0.26 2.03 -1.94 -0.26 -1.03 119.30 116.55 1ajk s MET 98 Ca -0.07 -0.05 -0.10 0.00 -1.71 0.00 0.00 55.69 53.77 1ajk s MET 98 Cb -0.05 -0.44 -0.01 0.00 2.01 0.00 0.00 34.83 36.34 1ajk s MET 98 CO -0.02 -0.03 0.44 0.54 -0.01 0.00 0.00 175.02 175.94 1ajk s ASN 99 N 0.48 0.09 -0.08 3.03 2.20 -1.18 -0.70 114.94 118.79 1ajk s ASN 99 Ca -0.05 -1.08 -0.03 0.00 -0.94 0.00 0.00 52.86 50.75 1ajk s ASN 99 Cb -0.08 0.58 0.04 0.00 -2.00 0.00 0.00 41.25 39.79 1ajk s ASN 99 CO -0.01 -1.14 0.17 -0.22 -2.94 0.00 0.00 177.10 172.97 1ajk s LEU 100 N -3.07 0.38 0.18 3.54 2.96 -0.96 -1.34 118.68 120.37 1ajk s LEU 100 Ca 0.26 0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 54.33 1ajk s LEU 100 Cb 0.00 0.41 0.05 0.00 0.50 0.00 0.00 46.19 47.15 1ajk s LEU 100 CO 0.11 -0.18 0.55 -1.66 -1.32 0.00 0.00 176.35 173.85 1ajk s TRP 101 N 1.59 -0.32 0.02 5.38 1.48 -0.59 -2.71 118.94 123.79 1ajk s TRP 101 Ca -0.05 0.03 0.08 0.00 -1.06 0.00 0.00 56.10 55.09 1ajk s TRP 101 Cb -0.12 0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 32.64 1ajk s TRP 101 CO -0.06 -0.88 -0.22 0.54 -4.06 0.00 0.00 176.95 172.26 1ajk s ASN 102 N -2.81 3.45 0.36 -2.66 4.22 -1.26 -1.00 114.94 115.23 1ajk s ASN 102 Ca 0.05 -0.48 0.01 0.00 -2.14 0.00 0.00 52.86 50.30 1ajk s ASN 102 Cb -0.01 -0.46 0.03 0.00 1.28 0.00 0.00 41.25 42.09 1ajk s ASN 102 CO -0.08 0.28 0.20 0.61 -2.04 0.00 0.00 177.10 176.07 1ajk n GLY 103 N 1.86 1.08 3.04 0.45 0.00 -0.39 -1.17 105.19 110.05 1ajk n GLY 103 Ca -0.17 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 1ajk n GLY 103 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ajk s THR 104 N -0.27 1.82 0.00 2.61 -1.32 -1.19 -4.57 115.64 112.72 1ajk s THR 104 Ca 0.14 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 1ajk s THR 104 Cb -0.01 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 1ajk s THR 104 CO 0.09 0.22 0.00 0.47 -2.21 0.00 0.00 174.62 173.19 1ajk n ASP 107 N 4.63 0.00 0.00 8.08 8.00 -1.26 -3.79 116.55 132.21 1ajk n ASP 107 Ca -0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.42 1ajk n ASP 107 Cb 0.47 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.93 1ajk n ASP 107 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ajk n ASP 108 N 0.00 0.00 0.28 -2.24 5.68 -1.26 -3.16 116.55 115.85 1ajk n ASP 108 Ca 0.00 0.29 0.17 0.00 -0.50 0.00 0.00 54.79 54.74 1ajk n ASP 108 Cb 0.00 -0.40 0.70 0.00 -1.14 0.00 0.00 41.12 40.28 1ajk n ASP 108 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1ajk h TRP 109 N 0.00 0.00 0.00 2.11 5.08 -1.98 -2.56 115.95 118.60 1ajk h TRP 109 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 1ajk h TRP 109 Cb 0.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.36 1ajk h TRP 109 CO 0.00 0.02 -0.22 -0.07 -1.28 0.00 0.00 178.44 176.89 1ajk h LEU 110 N 0.00 0.00 -1.69 0.11 3.38 -1.94 -2.67 115.31 112.50 1ajk h LEU 110 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1ajk h LEU 110 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1ajk h LEU 110 CO 0.00 0.22 0.41 1.23 0.09 0.00 0.00 178.44 180.40 1ajk h GLY 111 N 1.11 0.50 0.00 0.83 0.00 -1.70 -2.30 103.07 101.51 1ajk h GLY 111 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ajk h GLY 111 CO 0.03 0.07 -0.59 -1.14 0.00 0.00 0.00 176.54 174.91 1ajk n SER 112 N -4.46 0.61 -4.67 0.19 3.41 -1.08 -5.01 113.62 102.62 1ajk n SER 112 Ca 0.10 -0.76 -0.42 0.00 -0.26 0.00 0.00 58.87 57.54 1ajk n SER 112 Cb 0.44 1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 65.38 1ajk n SER 112 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ajk s TYR 113 N -2.14 1.98 -0.17 7.33 5.04 -0.87 -4.98 117.35 123.54 1ajk s TYR 113 Ca 0.04 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1ajk s TYR 113 Cb 0.09 -4.03 0.03 0.00 0.35 0.00 0.00 41.96 38.40 1ajk s TYR 113 CO 0.49 -4.34 -0.11 1.21 -1.34 0.00 0.00 175.55 171.46 1ajk s ASN 114 N 3.22 2.99 0.00 4.32 3.84 -1.26 -5.00 114.94 123.05 1ajk s ASN 114 Ca 0.78 -0.68 0.11 0.00 0.21 0.00 0.00 52.86 53.28 1ajk s ASN 114 Cb -0.39 -1.14 0.66 0.00 -0.55 0.00 0.00 41.25 39.83 1ajk s ASN 114 CO 0.34 -0.12 1.09 0.61 -2.79 0.00 0.00 177.10 176.23 1ajk n GLY 115 N 4.76 -0.45 0.76 1.21 0.00 -1.26 -1.65 105.19 108.56 1ajk n GLY 115 Ca -0.15 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1ajk n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajk n ALA 116 N -0.89 2.62 -2.99 4.61 0.00 -1.26 -4.31 120.51 118.29 1ajk n ALA 116 Ca 0.08 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.75 1ajk n ALA 116 Cb 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1ajk n ALA 116 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ajk n ASN 117 N 0.83 -1.33 -4.66 0.00 6.94 -0.66 -5.14 115.26 111.25 1ajk n ASN 117 Ca 0.15 -2.96 -0.29 0.00 -0.02 0.00 0.00 54.58 51.46 1ajk n ASN 117 Cb 0.51 0.53 0.18 0.00 -2.36 0.00 0.00 39.78 38.64 1ajk n ASN 117 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ajk s PRO 118 N -0.24 0.53 0.22 -0.53 0.04 -1.24 -4.62 135.00 129.16 1ajk s PRO 118 Ca 0.33 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 1ajk s PRO 118 Cb 0.19 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.91 1ajk s PRO 118 CO -0.17 -2.73 1.06 -0.51 0.04 0.00 0.00 177.00 174.69 1ajk s LEU 119 N -6.52 4.54 -0.05 -3.56 1.43 -1.25 -4.98 118.68 108.29 1ajk s LEU 119 Ca 0.65 2.11 -0.06 0.00 -1.03 0.00 0.00 54.13 55.80 1ajk s LEU 119 Cb -0.20 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.42 1ajk s LEU 119 CO 0.59 -0.11 0.15 -0.31 0.23 0.00 0.00 176.35 176.89 1ajk s TYR 120 N -0.71 -0.14 -0.11 0.29 2.02 -1.26 -2.14 117.35 115.30 1ajk s TYR 120 Ca 0.46 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 57.50 1ajk s TYR 120 Cb -0.29 0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.29 1ajk s TYR 120 CO 0.36 -0.11 -0.08 0.00 -1.57 0.00 0.00 175.55 174.15 1ajk s ALA 121 N -0.11 2.87 0.04 3.71 0.00 -0.49 -3.53 121.76 124.25 1ajk s ALA 121 Ca -0.02 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1ajk s ALA 121 Cb -0.02 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1ajk s ALA 121 CO 0.00 0.39 -0.23 -1.21 0.00 0.00 0.00 175.76 174.71 1ajk s GLU 122 N -0.17 1.58 -0.06 0.00 2.02 -0.17 -0.97 118.70 120.93 1ajk s GLU 122 Ca 0.02 -0.98 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 1ajk s GLU 122 Cb -0.13 -1.69 0.02 0.00 0.10 0.00 0.00 34.13 32.43 1ajk s GLU 122 CO 0.03 0.44 -0.03 0.71 0.02 0.00 0.00 175.26 176.43 1ajk s TYR 123 N -0.76 0.82 -0.11 1.61 1.51 -0.20 -0.54 117.35 119.68 1ajk s TYR 123 Ca 0.09 -0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1ajk s TYR 123 Cb -0.09 -0.80 -0.25 0.00 -0.11 0.00 0.00 41.96 40.71 1ajk s TYR 123 CO 0.01 -0.29 0.40 -3.47 -1.11 0.00 0.00 175.55 171.10 1ajk n ASP 124 N 4.60 1.85 -3.58 2.29 2.03 0.06 -1.06 116.55 122.74 1ajk n ASP 124 Ca -0.16 0.24 -0.08 0.00 0.52 0.00 0.00 54.79 55.31 1ajk n ASP 124 Cb 0.50 -0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 1ajk n ASP 124 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1ajk s TRP 125 N -2.56 -0.34 -0.01 -0.67 1.48 -1.24 -4.38 118.94 111.22 1ajk s TRP 125 Ca -0.19 0.10 0.03 0.00 -1.06 0.00 0.00 56.10 54.98 1ajk s TRP 125 Cb 0.07 0.59 -0.01 0.00 -1.16 0.00 0.00 33.47 32.96 1ajk s TRP 125 CO 0.78 -0.78 -0.10 0.08 -4.06 0.00 0.00 176.95 172.87 1ajk s VAL 126 N -3.43 0.77 -0.01 -0.66 1.01 -0.37 -1.81 120.40 115.90 1ajk s VAL 126 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1ajk s VAL 126 Cb -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1ajk s VAL 126 CO -0.06 0.21 -0.10 -0.75 0.00 0.00 0.00 175.10 174.40 1ajk s LYS 127 N -0.26 0.81 -0.09 2.72 2.20 0.08 -0.68 119.74 124.53 1ajk s LYS 127 Ca 0.04 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1ajk s LYS 127 Cb -0.04 -0.78 0.02 0.00 -1.51 0.00 0.00 37.83 35.52 1ajk s LYS 127 CO -0.00 0.20 -0.09 -0.47 -0.36 0.00 0.00 175.35 174.63 1ajk s TYR 128 N -0.19 1.39 -0.30 4.03 5.04 -0.13 -1.12 117.35 126.08 1ajk s TYR 128 Ca 0.03 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 54.02 1ajk s TYR 128 Cb -0.04 -1.12 0.05 0.00 0.35 0.00 0.00 41.96 41.19 1ajk s TYR 128 CO -0.00 -0.40 0.01 0.99 -1.34 0.00 0.00 175.55 174.80 1ajk s THR 129 N 1.30 3.11 0.32 4.34 2.01 0.09 -1.31 115.64 125.50 1ajk s THR 129 Ca -0.03 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.53 1ajk s THR 129 Cb -0.14 -2.76 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 1ajk s THR 129 CO -0.03 -0.08 0.71 -0.55 -0.69 0.00 0.00 174.62 173.97 1ajk s SER 130 N 1.28 6.72 0.45 3.53 0.15 -1.26 -1.30 113.70 123.27 1ajk s SER 130 Ca -0.04 1.21 0.25 0.00 0.70 0.00 0.00 55.95 58.06 1ajk s SER 130 Cb -0.19 -2.34 0.82 0.00 -1.71 0.00 0.00 66.02 62.59 1ajk s SER 130 CO -0.01 -0.21 1.78 0.78 1.20 0.00 0.00 173.24 176.78 1ajk h ASN 131 N 2.17 0.00 -3.78 5.45 4.21 -1.78 -3.42 115.58 118.42 1ajk h ASN 131 Ca -0.48 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.40 1ajk h ASN 131 Cb 1.18 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.22 1ajk h ASN 131 CO 0.66 0.16 -0.36 0.00 -1.29 0.00 0.00 177.43 176.60 1ajk s GLN 132 N -3.49 4.00 0.19 0.81 -2.07 -1.26 -5.01 119.66 112.82 1ajk s GLN 132 Ca 0.02 -0.11 -0.33 0.00 -1.82 0.00 0.00 55.36 53.13 1ajk s GLN 132 Cb 0.09 -3.65 -0.14 0.00 -1.09 0.00 0.00 33.01 28.21 1ajk s GLN 132 CO 0.63 -0.22 1.38 2.41 -1.32 0.00 0.00 175.29 178.17 1ajk n THR 133 N 5.05 0.64 -0.92 3.63 -1.04 -1.26 -1.07 114.28 119.31 1ajk n THR 133 Ca -0.11 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1ajk n THR 133 Cb 0.51 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1ajk n THR 133 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ajk n GLY 134 N 2.41 0.72 1.00 3.41 0.00 -1.26 -4.92 105.19 106.56 1ajk n GLY 134 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ajk n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajk n GLY 135 N -2.52 1.17 3.83 -0.02 0.00 -0.23 -5.00 105.19 102.42 1ajk n GLY 135 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1ajk n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ajk s SER 136 N -1.86 6.42 0.07 1.61 0.01 -1.26 -4.67 113.70 114.03 1ajk s SER 136 Ca 0.30 1.64 -0.22 0.00 1.31 0.00 0.00 55.95 58.98 1ajk s SER 136 Cb 0.21 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.97 1ajk s SER 136 CO 0.30 -0.72 0.52 0.72 0.41 0.00 0.00 173.24 174.47 1ajk s PHE 137 N -2.56 -0.42 -0.05 2.43 -0.71 -0.43 -4.99 117.98 111.25 1ajk s PHE 137 Ca 0.60 0.38 0.03 0.00 -1.04 0.00 0.00 56.93 56.91 1ajk s PHE 137 Cb -0.11 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 1ajk s PHE 137 CO 0.32 -0.69 -0.15 0.12 -1.34 0.00 0.00 175.22 173.48 1ajk s PHE 138 N -2.83 1.60 -0.13 3.49 5.36 -1.26 -0.96 117.98 123.25 1ajk s PHE 138 Ca -0.03 -0.52 -0.00 0.00 -0.96 0.00 0.00 56.93 55.42 1ajk s PHE 138 Cb -0.00 -1.11 0.03 0.00 -0.34 0.00 0.00 43.02 41.60 1ajk s PHE 138 CO -0.05 -0.22 -0.08 -2.00 -1.46 0.00 0.00 175.22 171.42 1ajk s GLU 139 N 0.30 1.58 0.00 10.12 2.56 0.15 -5.01 118.70 128.39 1ajk s GLU 139 Ca -0.09 -0.34 0.24 0.00 0.00 0.00 0.00 54.97 54.78 1ajk s GLU 139 Cb -0.13 -1.74 0.36 0.00 2.00 0.00 0.00 34.13 34.62 1ajk s GLU 139 CO 0.03 -0.30 1.32 -0.35 -0.56 0.00 0.00 175.26 175.40 1ajk n PRO 140 N 4.91 1.08 -3.49 4.30 -0.04 -1.26 -1.24 135.00 139.26 1ajk n PRO 140 Ca -0.13 -0.79 -0.19 0.00 -0.04 0.00 0.00 63.50 62.35 1ajk n PRO 140 Cb 0.49 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 1ajk n PRO 140 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ajk n PHE 141 N -0.27 -2.35 0.12 0.54 3.72 -1.26 -4.62 117.46 113.33 1ajk n PHE 141 Ca 0.11 0.96 -0.20 0.00 -0.05 0.00 0.00 57.45 58.27 1ajk n PHE 141 Cb 0.42 -5.04 -0.15 0.00 -0.94 0.00 0.00 39.48 33.77 1ajk n PHE 141 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1ajk h ASN 142 N -2.10 0.59 -5.05 4.37 2.35 -1.92 -3.26 115.58 110.56 1ajk h ASN 142 Ca -0.59 -0.65 0.04 0.00 -0.55 0.00 0.00 56.30 54.55 1ajk h ASN 142 Cb 1.35 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.47 1ajk h ASN 142 CO 0.52 1.51 0.16 -0.94 -1.65 0.00 0.00 177.43 177.03 1ajk s SER 143 N -7.31 -0.21 0.11 5.81 1.04 -1.26 -4.81 113.70 107.07 1ajk s SER 143 Ca -0.07 -0.70 -0.31 0.00 0.48 0.00 0.00 55.95 55.35 1ajk s SER 143 Cb 0.06 0.71 -0.09 0.00 0.10 0.00 0.00 66.02 66.79 1ajk s SER 143 CO 0.91 -1.32 1.65 -0.47 0.98 0.00 0.00 173.24 174.99 1ajk s TYR 144 N -3.86 2.59 -0.42 5.02 5.04 -1.26 -4.98 117.35 119.48 1ajk s TYR 144 Ca 0.14 0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 55.09 1ajk s TYR 144 Cb -0.05 -3.99 0.11 0.00 0.35 0.00 0.00 41.96 38.39 1ajk s TYR 144 CO 0.08 -3.88 0.24 1.21 -1.34 0.00 0.00 175.55 171.86 1ajk s ASN 145 N 2.03 5.37 0.22 4.32 3.84 -1.26 -4.95 114.94 124.52 1ajk s ASN 145 Ca 0.74 -2.00 0.21 0.00 0.21 0.00 0.00 52.86 52.02 1ajk s ASN 145 Cb -0.42 -1.88 0.92 0.00 -0.55 0.00 0.00 41.25 39.32 1ajk s ASN 145 CO 0.32 -0.58 1.64 -1.54 -2.79 0.00 0.00 177.10 174.15 1ajk n SER 146 N 4.68 0.53 0.07 -4.21 3.41 -1.26 -1.37 113.62 115.46 1ajk n SER 146 Ca -0.04 0.65 -0.03 0.00 -0.26 0.00 0.00 58.87 59.19 1ajk n SER 146 Cb 0.41 -0.75 0.19 0.00 -0.26 0.00 0.00 64.21 63.80 1ajk n SER 146 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ajk h GLY 147 N 1.88 0.33 0.00 5.00 0.00 -2.03 -3.36 103.07 104.89 1ajk h GLY 147 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1ajk h GLY 147 CO 0.00 0.29 -0.39 -1.30 0.00 0.00 0.00 176.54 175.14 1ajk n THR 148 N -4.01 0.00 -4.11 4.70 -2.24 -0.70 -4.84 114.28 103.08 1ajk n THR 148 Ca -0.02 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1ajk n THR 148 Cb 0.50 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1ajk n THR 148 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ajk s TRP 149 N -1.38 0.70 0.04 4.78 0.52 -0.47 -1.28 118.94 121.85 1ajk s TRP 149 Ca 0.00 -1.13 -0.01 0.00 0.02 0.00 0.00 56.10 54.98 1ajk s TRP 149 Cb 0.00 -0.41 -0.03 0.00 -1.15 0.00 0.00 33.47 31.88 1ajk s TRP 149 CO 0.00 -0.48 -0.02 -1.83 0.02 0.00 0.00 176.95 174.64 1ajk s GLU 150 N -3.99 0.47 -0.09 4.98 -1.05 0.98 -4.40 118.70 115.60 1ajk s GLU 150 Ca 0.17 -0.90 -0.05 0.00 -0.15 0.00 0.00 54.97 54.04 1ajk s GLU 150 Cb 0.07 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1ajk s GLU 150 CO -0.03 -0.09 0.12 0.15 0.95 0.00 0.00 175.26 176.37 1ajk s LYS 151 N -2.68 3.35 0.32 -4.83 1.02 -1.26 -1.19 119.74 114.46 1ajk s LYS 151 Ca -0.05 -0.22 -0.27 0.00 0.02 0.00 0.00 55.97 55.46 1ajk s LYS 151 Cb -0.01 -3.10 -0.09 0.00 -0.52 0.00 0.00 37.83 34.10 1ajk s LYS 151 CO -0.05 0.75 0.99 0.00 -0.92 0.00 0.00 175.35 176.11 1ajk s ALA 152 N -1.06 3.24 -0.28 5.17 0.00 -0.65 -4.89 121.76 123.29 1ajk s ALA 152 Ca 0.17 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 1ajk s ALA 152 Cb -0.12 -3.23 0.09 0.00 0.00 0.00 0.00 23.12 19.85 1ajk s ALA 152 CO 0.07 0.04 0.77 0.34 0.00 0.00 0.00 175.76 176.98 1ajk s ASP 153 N -1.39 -0.76 0.00 0.00 2.15 -1.26 -2.90 116.67 112.51 1ajk s ASP 153 Ca 0.49 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.82 1ajk s ASP 153 Cb -0.23 1.34 0.00 0.00 -0.30 0.00 0.00 42.92 43.73 1ajk s ASP 153 CO 0.29 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 1ajk n GLY 154 N 3.27 0.75 3.52 2.66 0.00 -0.11 -4.95 105.19 110.33 1ajk n GLY 154 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1ajk n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ajk s TYR 155 N -2.29 0.30 0.05 1.61 1.13 -1.25 -4.99 117.35 111.90 1ajk s TYR 155 Ca 0.00 -0.66 0.08 0.00 -1.41 0.00 0.00 57.07 55.09 1ajk s TYR 155 Cb 0.00 0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.99 1ajk s TYR 155 CO 0.00 -0.92 -0.23 0.45 -2.51 0.00 0.00 175.55 172.34 1ajk s SER 156 N -2.99 3.44 0.47 -0.18 0.15 -1.26 -1.07 113.70 112.26 1ajk s SER 156 Ca 0.19 -0.53 0.24 0.00 0.70 0.00 0.00 55.95 56.56 1ajk s SER 156 Cb 0.00 -0.42 1.12 0.00 -1.71 0.00 0.00 66.02 65.01 1ajk s SER 156 CO 0.05 0.25 1.92 0.78 1.20 0.00 0.00 173.24 177.45 1ajk h ASN 157 N 4.63 0.00 -3.43 5.45 2.35 -1.91 -3.50 115.58 119.18 1ajk h ASN 157 Ca -0.47 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1ajk h ASN 157 Cb 1.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 1ajk h ASN 157 CO 0.45 0.20 -0.01 0.61 -1.65 0.00 0.00 177.43 177.03 1ajk n GLY 158 N -0.22 -1.90 7.00 2.83 0.00 -1.26 -4.90 105.19 106.74 1ajk n GLY 158 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1ajk n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajk n GLY 159 N -0.12 2.39 0.30 -0.02 0.00 -1.26 -1.85 105.19 104.63 1ajk n GLY 159 Ca 0.00 -0.40 0.17 0.00 0.00 0.00 0.00 46.02 45.79 1ajk n GLY 159 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ajk h VAL 160 N 0.00 0.30 -3.58 1.61 3.04 -1.97 -3.43 116.25 112.22 1ajk h VAL 160 Ca 0.00 -0.27 -0.51 0.00 -1.01 0.00 0.00 66.70 64.91 1ajk h VAL 160 Cb 0.00 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1ajk h VAL 160 CO 0.00 0.04 0.44 -0.36 -1.01 0.00 0.00 177.57 176.68 1ajk s PHE 161 N -4.19 3.68 -0.34 3.17 0.40 -0.77 -3.48 117.98 116.45 1ajk s PHE 161 Ca -0.03 1.68 0.11 0.00 -0.60 0.00 0.00 56.93 58.08 1ajk s PHE 161 Cb 0.13 -3.19 0.45 0.00 0.51 0.00 0.00 43.02 40.92 1ajk s PHE 161 CO 0.52 -0.31 1.11 -1.71 0.70 0.00 0.00 175.22 175.52 1ajk n ASN 162 N 2.42 3.68 -3.67 1.36 5.15 -0.32 -4.26 115.26 119.63 1ajk n ASN 162 Ca 0.02 -3.27 -0.10 0.00 -0.60 0.00 0.00 54.58 50.63 1ajk n ASN 162 Cb 0.47 -0.44 -0.05 0.00 -0.53 0.00 0.00 39.78 39.24 1ajk n ASN 162 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ajk s THR 164 N -3.82 4.18 0.26 0.00 2.01 -0.83 -4.48 115.64 112.96 1ajk s THR 164 Ca 0.04 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1ajk s THR 164 Cb 0.02 -2.81 -0.09 0.00 0.01 0.00 0.00 72.50 69.62 1ajk s THR 164 CO -0.10 0.53 1.24 0.26 -0.69 0.00 0.00 174.62 175.86 1ajk s TRP 165 N -0.13 3.30 -0.05 4.92 0.23 -0.23 -0.62 118.94 126.36 1ajk s TRP 165 Ca 0.04 1.43 0.02 0.00 -2.03 0.00 0.00 56.10 55.56 1ajk s TRP 165 Cb -0.13 -3.52 0.01 0.00 0.03 0.00 0.00 33.47 29.86 1ajk s TRP 165 CO 0.02 -1.44 -0.10 1.03 0.96 0.00 0.00 176.95 177.43 1ajk s ARG 166 N -0.97 1.29 0.42 4.98 1.81 -0.76 -0.93 118.95 124.78 1ajk s ARG 166 Ca 0.51 -0.31 0.19 0.00 -1.72 0.00 0.00 55.73 54.39 1ajk s ARG 166 Cb -0.36 -1.13 0.93 0.00 -0.45 0.00 0.00 34.95 33.94 1ajk s ARG 166 CO 0.43 0.03 1.88 0.00 -0.68 0.00 0.00 175.30 176.96 1ajk h ALA 167 N 6.83 1.27 0.00 2.13 0.00 -1.84 -2.11 119.26 125.53 1ajk h ALA 167 Ca -0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ajk h ALA 167 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ajk h ALA 167 CO 0.48 0.36 0.00 0.27 0.00 0.00 0.00 179.25 180.36 1ajk n ASN 168 N -3.83 0.00 -0.71 0.00 6.94 -1.26 -1.89 115.26 114.52 1ajk n ASN 168 Ca -0.01 -0.70 0.11 0.00 -0.02 0.00 0.00 54.58 53.96 1ajk n ASN 168 Cb 0.38 -0.01 0.34 0.00 -2.36 0.00 0.00 39.78 38.12 1ajk n ASN 168 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ajk n ASN 169 N -1.01 2.14 -4.28 0.53 4.13 -0.79 -4.75 115.26 111.22 1ajk n ASN 169 Ca 0.17 -1.76 -0.37 0.00 1.68 0.00 0.00 54.58 54.29 1ajk n ASN 169 Cb 0.08 -0.11 -0.13 0.00 -1.54 0.00 0.00 39.78 38.09 1ajk n ASN 169 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ajk s VAL 170 N -1.78 3.76 0.12 2.41 1.01 -0.79 -0.95 120.40 124.18 1ajk s VAL 170 Ca 0.34 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1ajk s VAL 170 Cb 0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1ajk s VAL 170 CO 0.29 -0.11 -0.09 0.20 0.00 0.00 0.00 175.10 175.39 1ajk s ASN 171 N 1.41 1.53 -0.10 3.32 0.01 -0.50 -4.99 114.94 115.62 1ajk s ASN 171 Ca -0.01 -0.96 0.02 0.00 -0.71 0.00 0.00 52.86 51.21 1ajk s ASN 171 Cb -0.19 0.02 -0.01 0.00 0.41 0.00 0.00 41.25 41.48 1ajk s ASN 171 CO 0.02 -0.35 -0.18 -0.36 -1.51 0.00 0.00 177.10 174.72 1ajk s PHE 172 N -3.17 2.67 0.71 2.20 0.40 -1.26 -0.40 117.98 119.12 1ajk s PHE 172 Ca 0.12 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.64 1ajk s PHE 172 Cb 0.02 -1.74 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1ajk s PHE 172 CO -0.01 -0.22 1.10 0.95 0.70 0.00 0.00 175.22 177.74 1ajk s THR 173 N 0.13 3.49 -0.40 0.64 -4.23 0.37 -4.92 115.64 110.71 1ajk s THR 173 Ca -0.09 0.48 0.26 0.00 -1.18 0.00 0.00 61.69 61.16 1ajk s THR 173 Cb -0.15 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.49 1ajk s THR 173 CO 0.06 -0.63 1.76 0.78 -0.54 0.00 0.00 174.62 176.05 1ajk h ASN 174 N -0.66 0.00 -0.64 3.99 2.35 -1.94 -2.48 115.58 116.19 1ajk h ASN 174 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1ajk h ASN 174 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1ajk h ASN 174 CO 0.64 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.52 1ajk n ASP 175 N -2.40 5.02 -0.14 5.81 5.75 -1.26 -4.96 116.55 124.37 1ajk n ASP 175 Ca 0.02 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 1ajk n ASP 175 Cb 0.27 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1ajk n ASP 175 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ajk n GLY 176 N 1.03 1.09 3.38 6.12 0.00 -0.93 -5.06 105.19 110.82 1ajk n GLY 176 Ca 0.27 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1ajk n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajk s LYS 177 N -2.07 1.49 -0.01 1.61 1.02 -1.23 -4.49 119.74 116.06 1ajk s LYS 177 Ca 0.00 -1.30 -0.25 0.00 0.02 0.00 0.00 55.97 54.44 1ajk s LYS 177 Cb 0.00 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1ajk s LYS 177 CO 0.00 0.46 0.78 -1.17 -0.92 0.00 0.00 175.35 174.51 1ajk s LEU 178 N -1.88 4.38 -0.13 3.17 2.96 -0.23 -0.48 118.68 126.48 1ajk s LEU 178 Ca 0.13 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.44 1ajk s LEU 178 Cb -0.10 -3.24 0.02 0.00 0.50 0.00 0.00 46.19 43.37 1ajk s LEU 178 CO 0.05 -0.10 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.10 1ajk s LYS 179 N 0.53 2.14 -0.14 1.98 2.20 0.46 -1.03 119.74 125.88 1ajk s LYS 179 Ca 0.41 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1ajk s LYS 179 Cb -0.19 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 1ajk s LYS 179 CO 0.22 -0.17 0.03 -0.51 -0.36 0.00 0.00 175.35 174.56 1ajk s LEU 180 N 1.31 3.69 0.28 5.43 1.43 -0.14 -1.41 118.68 129.27 1ajk s LEU 180 Ca 0.00 0.10 0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1ajk s LEU 180 Cb -0.14 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1ajk s LEU 180 CO -0.07 0.26 -0.19 -0.83 0.23 0.00 0.00 176.35 175.75 1ajk s GLY 181 N -0.14 1.87 -0.14 -3.19 0.00 -0.12 -1.40 107.32 104.21 1ajk s GLY 181 Ca 0.06 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1ajk s GLY 181 CO 0.02 -1.96 -0.13 -2.27 0.00 0.00 0.00 173.10 168.76 1ajk s LEU 182 N -3.50 1.57 0.17 0.66 0.20 -0.91 -3.79 118.68 113.08 1ajk s LEU 182 Ca 0.30 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.74 1ajk s LEU 182 Cb -0.04 -1.09 -0.05 0.00 -0.43 0.00 0.00 46.19 44.59 1ajk s LEU 182 CO 0.14 -0.06 -0.12 0.42 -0.29 0.00 0.00 176.35 176.44 1ajk s THR 183 N 1.48 1.42 -0.13 3.68 -4.23 -0.27 -3.80 115.64 113.79 1ajk s THR 183 Ca 0.04 -2.12 -0.06 0.00 -1.18 0.00 0.00 61.69 58.36 1ajk s THR 183 Cb -0.13 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.84 1ajk s THR 183 CO -0.09 -0.67 0.31 -0.55 -0.54 0.00 0.00 174.62 173.07 1ajk s SER 184 N -3.22 -0.23 -0.01 3.99 0.15 -1.26 -0.62 113.70 112.50 1ajk s SER 184 Ca 0.19 0.68 0.08 0.00 0.70 0.00 0.00 55.95 57.60 1ajk s SER 184 Cb 0.01 0.63 -0.12 0.00 -1.71 0.00 0.00 66.02 64.84 1ajk s SER 184 CO 0.03 -0.19 0.20 -1.54 1.20 0.00 0.00 173.24 172.94 1ajk n SER 185 N 4.52 2.69 -3.69 5.45 3.41 -1.26 -4.89 113.62 119.85 1ajk n SER 185 Ca -0.20 -0.12 0.03 0.00 -0.26 0.00 0.00 58.87 58.32 1ajk n SER 185 Cb 0.53 1.30 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 1ajk n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ajk s ALA 186 N -2.40 -2.45 -1.94 7.33 0.00 -1.26 -5.03 121.76 116.01 1ajk s ALA 186 Ca -0.02 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1ajk s ALA 186 Cb 0.05 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1ajk s ALA 186 CO 0.33 -1.09 0.00 0.66 0.00 0.00 0.00 175.76 175.65 1ajk n TYR 187 N -0.64 -0.07 -3.03 0.00 4.01 -1.26 -2.25 117.16 113.93 1ajk n TYR 187 Ca -0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.47 1ajk n TYR 187 Cb 0.62 -3.23 0.03 0.00 -0.31 0.00 0.00 39.34 36.44 1ajk n TYR 187 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1ajk n ASN 188 N -1.19 -5.86 -4.38 7.72 5.15 -1.26 -4.98 115.26 110.46 1ajk n ASN 188 Ca -0.18 -0.28 -0.33 0.00 -0.60 0.00 0.00 54.58 53.19 1ajk n ASN 188 Cb 0.63 -4.75 -0.14 0.00 -0.53 0.00 0.00 39.78 34.99 1ajk n ASN 188 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ajk s LYS 189 N -5.70 2.90 0.09 1.20 -0.14 -0.95 -5.12 119.74 112.00 1ajk s LYS 189 Ca 0.30 -0.74 0.08 0.00 -1.36 0.00 0.00 55.97 54.24 1ajk s LYS 189 Cb -0.14 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.54 1ajk s LYS 189 CO 0.37 0.39 -0.15 -0.06 -0.76 0.00 0.00 175.35 175.13 1ajk s PHE 190 N -0.13 2.62 -0.06 3.18 0.40 -1.26 -4.22 117.98 118.50 1ajk s PHE 190 Ca -0.02 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1ajk s PHE 190 Cb -0.14 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 1ajk s PHE 190 CO 0.04 0.36 -0.21 -0.51 0.70 0.00 0.00 175.22 175.60 1ajk s ASP 191 N -1.94 3.38 0.00 1.36 1.01 0.20 -1.96 116.67 118.72 1ajk s ASP 191 Ca 0.18 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.02 1ajk s ASP 191 Cb -0.11 -0.92 0.00 0.00 1.01 0.00 0.00 42.92 42.90 1ajk s ASP 191 CO 0.10 0.26 0.00 0.00 0.21 0.00 0.00 175.17 175.73 1ajk s ALA 193 N -2.00 -0.97 -0.01 0.00 0.00 -1.10 -1.83 121.76 115.84 1ajk s ALA 193 Ca 0.00 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1ajk s ALA 193 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1ajk s ALA 193 CO 0.00 -0.20 0.04 -2.00 0.00 0.00 0.00 175.76 173.60 1ajk s GLU 194 N -0.04 0.08 -0.05 0.00 2.12 -1.26 -2.26 118.70 117.29 1ajk s GLU 194 Ca -0.02 -0.00 0.04 0.00 0.36 0.00 0.00 54.97 55.34 1ajk s GLU 194 Cb -0.03 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1ajk s GLU 194 CO 0.01 -0.01 -0.16 -0.47 -0.54 0.00 0.00 175.26 174.10 1ajk s TYR 195 N -0.12 1.62 -0.01 5.30 5.04 0.12 -1.64 117.35 127.68 1ajk s TYR 195 Ca -0.01 -0.51 -0.08 0.00 -2.44 0.00 0.00 57.07 54.03 1ajk s TYR 195 Cb -0.01 -1.12 0.01 0.00 0.35 0.00 0.00 41.96 41.19 1ajk s TYR 195 CO 0.00 -0.20 0.16 -0.98 -1.34 0.00 0.00 175.55 173.20 1ajk s ARG 196 N 0.21 0.49 0.81 4.97 1.70 -0.33 -1.10 118.95 125.69 1ajk s ARG 196 Ca -0.07 -0.32 -0.11 0.00 -0.47 0.00 0.00 55.73 54.76 1ajk s ARG 196 Cb -0.13 0.21 0.08 0.00 -0.57 0.00 0.00 34.95 34.54 1ajk s ARG 196 CO 0.03 -0.12 1.09 -1.54 -1.08 0.00 0.00 175.30 173.68 1ajk s SER 197 N -1.25 4.22 -0.06 -2.89 1.04 0.19 -0.01 113.70 114.94 1ajk s SER 197 Ca -0.13 1.60 0.18 0.00 0.48 0.00 0.00 55.95 58.07 1ajk s SER 197 Cb -0.07 -2.32 -0.22 0.00 0.10 0.00 0.00 66.02 63.51 1ajk s SER 197 CO 0.02 -2.18 0.47 0.35 0.98 0.00 0.00 173.24 172.88 1ajk n THR 198 N -3.60 1.10 -2.46 2.02 -2.24 -0.40 -4.74 114.28 103.96 1ajk n THR 198 Ca 0.08 -0.73 -0.24 0.00 -2.27 0.00 0.00 64.05 60.88 1ajk n THR 198 Cb 0.54 -0.54 0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1ajk n THR 198 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ajk s ASN 199 N -5.48 5.24 0.14 3.42 0.01 -1.26 -5.07 114.94 111.93 1ajk s ASN 199 Ca -0.07 0.35 0.07 0.00 -0.71 0.00 0.00 52.86 52.51 1ajk s ASN 199 Cb 0.09 -1.22 -0.04 0.00 0.41 0.00 0.00 41.25 40.49 1ajk s ASN 199 CO 0.84 -1.24 -0.06 0.27 -1.51 0.00 0.00 177.10 175.40 1ajk s ILE 200 N -2.97 3.53 0.03 0.60 -4.36 -1.26 -4.43 121.20 112.34 1ajk s ILE 200 Ca 0.57 -1.36 0.02 0.00 -0.26 0.00 0.00 60.65 59.62 1ajk s ILE 200 Cb -0.10 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 1ajk s ILE 200 CO 0.42 0.00 -0.07 -0.31 0.24 0.00 0.00 174.94 175.22 1ajk s TYR 201 N -1.48 0.58 0.00 1.37 2.02 0.61 -4.86 117.35 115.60 1ajk s TYR 201 Ca 0.24 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 1ajk s TYR 201 Cb -0.10 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 1ajk s TYR 201 CO 0.16 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 1ajk n GLY 202 N 1.78 3.81 3.59 0.71 0.00 -1.26 -1.73 105.19 112.10 1ajk n GLY 202 Ca -0.21 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 1ajk n GLY 202 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ajk n TYR 203 N 0.00 0.72 -1.11 1.61 4.01 -1.26 -4.91 117.16 116.23 1ajk n TYR 203 Ca 0.00 0.47 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 1ajk n TYR 203 Cb 0.00 -2.14 0.00 0.00 -0.31 0.00 0.00 39.34 36.89 1ajk n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ajk n GLY 204 N 1.32 -0.72 3.63 2.72 0.00 -0.25 -2.16 105.19 109.74 1ajk n GLY 204 Ca 0.12 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1ajk n GLY 204 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ajk s LEU 205 N 0.00 4.07 -0.23 0.99 2.96 -0.42 -0.99 118.68 125.06 1ajk s LEU 205 Ca 0.00 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1ajk s LEU 205 Cb 0.00 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1ajk s LEU 205 CO 0.00 0.01 0.03 -0.31 -1.32 0.00 0.00 176.35 174.76 1ajk s TYR 206 N 1.38 3.05 0.02 5.38 1.51 0.17 -0.73 117.35 128.13 1ajk s TYR 206 Ca 0.07 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.65 1ajk s TYR 206 Cb -0.15 -2.18 -0.02 0.00 -0.11 0.00 0.00 41.96 39.50 1ajk s TYR 206 CO 0.07 -0.38 -0.22 -1.21 -1.11 0.00 0.00 175.55 172.70 1ajk s GLU 207 N 1.47 1.61 0.01 -0.62 2.02 -0.27 -0.75 118.70 122.16 1ajk s GLU 207 Ca 0.05 -0.92 -0.00 0.00 0.02 0.00 0.00 54.97 54.12 1ajk s GLU 207 Cb -0.15 -1.67 -0.01 0.00 0.10 0.00 0.00 34.13 32.40 1ajk s GLU 207 CO 0.02 0.44 -0.01 0.54 0.02 0.00 0.00 175.26 176.27 1ajk s VAL 208 N -0.70 0.04 -0.23 2.63 0.11 0.39 -0.74 120.40 121.90 1ajk s VAL 208 Ca 0.09 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1ajk s VAL 208 Cb -0.09 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1ajk s VAL 208 CO 0.01 -0.17 0.01 -0.55 -3.33 0.00 0.00 175.10 171.07 1ajk s SER 209 N -0.51 4.74 0.26 3.54 0.15 -0.75 -0.54 113.70 120.59 1ajk s SER 209 Ca -0.06 -0.28 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 1ajk s SER 209 Cb -0.03 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 1ajk s SER 209 CO -0.00 -0.01 0.55 0.00 1.20 0.00 0.00 173.24 174.98 1ajk s MET 210 N 1.42 1.63 -0.19 5.44 0.23 -0.60 -0.76 119.30 126.47 1ajk s MET 210 Ca 0.05 -1.19 -0.03 0.00 -1.03 0.00 0.00 55.69 53.48 1ajk s MET 210 Cb -0.15 0.51 0.06 0.00 -1.53 0.00 0.00 34.83 33.73 1ajk s MET 210 CO 0.01 -0.70 0.06 0.21 -2.03 0.00 0.00 175.02 172.56 1ajk s LYS 211 N -3.94 0.48 0.81 3.16 2.20 0.30 -2.89 119.74 119.85 1ajk s LYS 211 Ca 0.19 -0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 1ajk s LYS 211 Cb -0.02 -2.00 0.08 0.00 -1.51 0.00 0.00 37.83 34.37 1ajk s LYS 211 CO 0.09 -0.67 1.09 -1.25 -0.36 0.00 0.00 175.35 174.24 1ajk s PRO 212 N 1.94 1.98 0.47 4.03 0.04 -1.26 -1.00 135.00 141.20 1ajk s PRO 212 Ca 0.01 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 1ajk s PRO 212 Cb -0.17 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ajk s PRO 212 CO -0.10 -1.73 1.00 0.00 0.04 0.00 0.00 177.00 176.22 1ajk s ALA 213 N -3.05 2.94 0.00 8.56 0.00 -1.23 -4.52 121.76 124.46 1ajk s ALA 213 Ca 0.61 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1ajk s ALA 213 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1ajk s ALA 213 CO 0.55 -0.17 0.00 1.17 0.00 0.00 0.00 175.76 177.31