#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajk n THR 2 N 0.00 0.06 -1.58 5.53 -1.04 -1.26 -4.98 114.28 111.01 1ajk n THR 2 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1ajk n THR 2 Cb 0.00 0.50 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1ajk n THR 2 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ajk n GLY 3 N 1.42 2.62 3.61 3.41 0.00 -1.26 -4.66 105.19 110.32 1ajk n GLY 3 Ca 0.02 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1ajk n GLY 3 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ajk s ILE 4 N 0.00 4.00 -0.06 -0.61 -5.25 -1.26 -0.60 121.20 117.42 1ajk s ILE 4 Ca 0.00 -0.36 0.02 0.00 -0.99 0.00 0.00 60.65 59.32 1ajk s ILE 4 Cb 0.00 -2.68 0.01 0.00 2.95 0.00 0.00 42.46 42.75 1ajk s ILE 4 CO 0.00 0.58 -0.11 -0.69 -1.79 0.00 0.00 174.94 172.93 1ajk s VAL 5 N -0.63 1.07 -0.02 8.37 1.01 -0.24 -1.15 120.40 128.81 1ajk s VAL 5 Ca 0.10 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ajk s VAL 5 Cb -0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1ajk s VAL 5 CO 0.02 0.34 -0.08 -0.44 0.00 0.00 0.00 175.10 174.94 1ajk s SER 6 N 0.68 4.54 0.19 3.32 0.01 -0.59 -1.57 113.70 120.28 1ajk s SER 6 Ca -0.14 -0.12 -0.09 0.00 1.31 0.00 0.00 55.95 56.91 1ajk s SER 6 Cb -0.16 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 1ajk s SER 6 CO 0.03 0.31 0.31 -0.94 0.41 0.00 0.00 173.24 173.36 1ajk s SER 7 N -1.16 0.03 -0.03 2.44 1.04 -0.02 -1.00 113.70 114.99 1ajk s SER 7 Ca 0.15 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 55.60 1ajk s SER 7 Cb -0.11 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1ajk s SER 7 CO 0.05 -0.95 0.02 0.12 0.98 0.00 0.00 173.24 173.46 1ajk s PHE 8 N -4.01 0.17 0.10 5.02 5.36 -0.46 -2.90 117.98 121.25 1ajk s PHE 8 Ca 0.22 0.08 -0.26 0.00 -0.96 0.00 0.00 56.93 56.02 1ajk s PHE 8 Cb 0.03 -0.35 0.08 0.00 -0.34 0.00 0.00 43.02 42.43 1ajk s PHE 8 CO 0.04 -0.13 0.82 -0.59 -1.46 0.00 0.00 175.22 173.91 1ajk s PHE 9 N 1.21 -0.32 0.07 10.12 -0.71 0.09 -1.25 117.98 127.19 1ajk s PHE 9 Ca -0.07 0.09 0.02 0.00 -1.04 0.00 0.00 56.93 55.92 1ajk s PHE 9 Cb -0.13 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 1ajk s PHE 9 CO -0.03 -0.76 0.13 0.95 -1.34 0.00 0.00 175.22 174.17 1ajk s THR 10 N -3.40 4.88 -0.13 -4.49 -4.23 -0.58 -0.22 115.64 107.47 1ajk s THR 10 Ca 0.07 -0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.78 1ajk s THR 10 Cb -0.02 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.51 1ajk s THR 10 CO -0.05 0.14 0.48 -0.47 -0.54 0.00 0.00 174.62 174.17 1ajk s TYR 11 N -1.43 -0.49 0.07 3.99 5.04 0.59 -2.40 117.35 122.72 1ajk s TYR 11 Ca 0.31 1.09 -0.14 0.00 -2.44 0.00 0.00 57.07 55.89 1ajk s TYR 11 Cb -0.12 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.40 1ajk s TYR 11 CO 0.24 -0.33 0.33 -0.08 -1.34 0.00 0.00 175.55 174.37 1ajk s THR 12 N -0.23 0.08 0.00 4.34 -1.32 -0.80 -0.63 115.64 117.09 1ajk s THR 12 Ca -0.04 -0.69 -0.05 0.00 -1.21 0.00 0.00 61.69 59.70 1ajk s THR 12 Cb -0.03 -1.05 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1ajk s THR 12 CO 0.03 -0.38 0.24 0.61 -2.21 0.00 0.00 174.62 172.90 1ajk n GLY 13 N 0.30 0.70 0.37 6.08 0.00 -1.23 -2.10 105.19 109.30 1ajk n GLY 13 Ca -0.17 -0.90 0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 0.47 0.00 1.61 0.11 -1.56 0.29 132.00 132.93 1ajk h PRO 14 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ajk h PRO 14 Cb 0.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1ajk h PRO 14 CO 0.06 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.16 1ajk h ALA 15 N 1.70 1.00 -0.36 -0.75 0.00 -1.97 -2.34 119.26 116.54 1ajk h ALA 15 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1ajk h ALA 15 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ajk h ALA 15 CO -0.43 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.54 1ajk n HIS 16 N -2.50 1.00 -0.66 0.00 8.25 0.99 -4.98 115.22 117.32 1ajk n HIS 16 Ca 0.01 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 1ajk n HIS 16 Cb 0.21 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 0.06 0.80 3.36 -1.41 0.00 -0.88 -4.83 105.19 102.30 1ajk n GLY 17 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.11 0.18 0.93 2.61 -4.23 -0.90 -4.95 115.64 106.18 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 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.56 1ajk s THR 18 CO 0.00 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.18 1ajk s GLN 19 N -3.54 0.93 -0.57 3.99 -2.07 -1.26 -1.64 119.66 115.50 1ajk s GLN 19 Ca 0.35 1.12 -0.23 0.00 -1.82 0.00 0.00 55.36 54.78 1ajk s GLN 19 Cb 0.02 -1.75 0.05 0.00 -1.09 0.00 0.00 33.01 30.25 1ajk s GLN 19 CO 0.23 -2.55 0.88 -0.46 -1.32 0.00 0.00 175.29 172.07 1ajk s TRP 20 N -2.75 2.82 -0.06 9.60 -0.00 -1.26 -3.57 118.94 123.72 1ajk s TRP 20 Ca 0.65 -0.23 0.06 0.00 -0.00 0.00 0.00 56.10 56.57 1ajk s TRP 20 Cb -0.21 -4.02 -0.01 0.00 -0.00 0.00 0.00 33.47 29.24 1ajk s TRP 20 CO 0.59 -1.35 -0.24 -0.51 -0.00 0.00 0.00 176.95 175.43 1ajk s ASP 21 N 2.99 2.96 -0.17 5.86 1.11 -0.89 -1.29 116.67 127.24 1ajk s ASP 21 Ca 0.26 -0.50 -0.26 0.00 0.18 0.00 0.00 52.55 52.23 1ajk s ASP 21 Cb -0.15 -0.91 0.07 0.00 1.07 0.00 0.00 42.92 42.99 1ajk s ASP 21 CO 0.16 0.22 0.66 -0.70 1.18 0.00 0.00 175.17 176.68 1ajk s GLU 22 N -0.05 0.88 -0.07 8.23 2.12 -0.36 -1.91 118.70 127.55 1ajk s GLU 22 Ca -0.06 0.64 0.03 0.00 0.36 0.00 0.00 54.97 55.94 1ajk s GLU 22 Cb -0.14 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1ajk s GLU 22 CO 0.04 -0.18 -0.17 0.42 -0.54 0.00 0.00 175.26 174.83 1ajk s ILE 23 N -0.27 1.52 0.11 -3.70 1.01 -1.01 -0.72 121.20 118.13 1ajk s ILE 23 Ca -0.05 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 59.98 1ajk s ILE 23 Cb -0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1ajk s ILE 23 CO 0.04 0.44 -0.26 -1.81 0.00 0.00 0.00 174.94 173.36 1ajk s ASP 24 N 0.37 3.12 -0.17 3.58 1.01 0.09 -1.53 116.67 123.15 1ajk s ASP 24 Ca -0.13 -0.71 -0.00 0.00 0.71 0.00 0.00 52.55 52.42 1ajk s ASP 24 Cb -0.15 -0.21 0.04 0.00 1.01 0.00 0.00 42.92 43.61 1ajk s ASP 24 CO 0.05 0.17 -0.05 -0.63 0.21 0.00 0.00 175.17 174.91 1ajk s ILE 25 N -1.03 1.16 -0.00 0.77 1.01 -0.38 -2.89 121.20 119.83 1ajk s ILE 25 Ca 0.12 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1ajk s ILE 25 Cb -0.10 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1ajk s ILE 25 CO 0.05 0.11 -0.14 -1.61 0.00 0.00 0.00 174.94 173.36 1ajk s GLU 26 N 1.61 1.06 -0.10 2.79 2.02 0.16 -1.36 118.70 124.88 1ajk s GLU 26 Ca 0.00 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.48 1ajk s GLU 26 Cb -0.16 -1.04 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 1ajk s GLU 26 CO -0.08 0.28 -0.20 -0.06 0.02 0.00 0.00 175.26 175.23 1ajk s PHE 27 N -0.42 2.63 -0.18 1.61 0.40 -0.17 -0.54 117.98 121.31 1ajk s PHE 27 Ca 0.04 -0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 55.47 1ajk s PHE 27 Cb -0.06 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1ajk s PHE 27 CO -0.00 -0.27 0.21 -0.51 0.70 0.00 0.00 175.22 175.35 1ajk s LEU 28 N 0.17 4.24 0.56 -0.37 1.02 -1.26 -1.54 118.68 121.50 1ajk s LEU 28 Ca -0.11 0.37 0.24 0.00 0.02 0.00 0.00 54.13 54.65 1ajk s LEU 28 Cb -0.16 -2.22 1.54 0.00 0.02 0.00 0.00 46.19 45.37 1ajk s LEU 28 CO 0.06 0.15 2.17 1.23 0.02 0.00 0.00 176.35 179.99 1ajk h GLY 29 N 6.58 0.00 1.50 -3.19 0.00 -1.35 -2.56 103.07 104.05 1ajk h GLY 29 Ca -0.42 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1ajk h GLY 29 CO 0.75 0.00 0.32 0.07 0.00 0.00 0.00 176.54 177.68 1ajk h LYS 30 N 0.00 0.62 -2.46 4.80 2.10 -1.91 -3.37 116.57 116.35 1ajk h LYS 30 Ca 0.03 -0.04 -0.44 0.00 -2.00 0.00 0.00 60.65 58.21 1ajk h LYS 30 Cb 0.16 -0.14 -0.37 0.00 -0.90 0.00 0.00 32.23 30.99 1ajk h LYS 30 CO -0.00 0.41 -0.71 0.34 -2.00 0.00 0.00 179.45 177.48 1ajk s ASP 31 N -6.60 2.59 -0.16 7.07 -1.08 -0.97 -5.01 116.67 112.52 1ajk s ASP 31 Ca -0.09 -1.10 0.04 0.00 -0.52 0.00 0.00 52.55 50.89 1ajk s ASP 31 Cb 0.18 0.07 0.35 0.00 -1.46 0.00 0.00 42.92 42.05 1ajk s ASP 31 CO 0.74 -0.41 1.25 0.35 0.52 0.00 0.00 175.17 177.63 1ajk n THR 32 N 5.19 1.65 0.56 1.71 -2.24 -1.24 -3.11 114.28 116.81 1ajk n THR 32 Ca -0.03 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1ajk n THR 32 Cb 0.44 -0.58 0.17 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.02 0.31 -4.36 4.28 -2.24 -1.26 -0.07 114.28 110.97 1ajk n THR 33 Ca 0.20 -0.66 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 1ajk n THR 33 Cb 0.87 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 70.18 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 -1.67 1.36 0.04 -0.78 1.02 -1.18 -0.72 119.74 117.81 1ajk s LYS 34 Ca 0.35 -1.63 0.01 0.00 0.02 0.00 0.00 55.97 54.72 1ajk s LYS 34 Cb 0.22 -1.03 -0.02 0.00 -0.52 0.00 0.00 37.83 36.47 1ajk s LYS 34 CO 0.31 0.11 -0.06 0.54 -0.92 0.00 0.00 175.35 175.33 1ajk s VAL 35 N -3.06 0.43 -0.10 3.17 0.11 -0.79 -4.70 120.40 115.45 1ajk s VAL 35 Ca 0.24 -1.11 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 1ajk s VAL 35 Cb 0.01 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1ajk s VAL 35 CO 0.08 -0.46 -0.19 -1.58 -3.33 0.00 0.00 175.10 169.61 1ajk s GLN 36 N -1.77 3.09 0.02 1.54 0.74 0.30 -0.95 119.66 122.63 1ajk s GLN 36 Ca -0.10 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.55 1ajk s GLN 36 Cb -0.08 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.58 1ajk s GLN 36 CO -0.01 0.24 -0.04 -0.06 -0.55 0.00 0.00 175.29 174.88 1ajk s PHE 37 N 0.22 2.96 0.22 1.67 0.08 0.42 -0.67 117.98 122.88 1ajk s PHE 37 Ca -0.12 -0.00 -0.23 0.00 0.12 0.00 0.00 56.93 56.70 1ajk s PHE 37 Cb -0.16 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1ajk s PHE 37 CO 0.07 0.42 0.85 1.21 -0.10 0.00 0.00 175.22 177.67 1ajk s ASN 38 N -1.63 -0.20 -0.01 1.36 2.47 -1.14 -0.68 114.94 115.12 1ajk s ASN 38 Ca 0.19 -0.54 -0.29 0.00 0.42 0.00 0.00 52.86 52.64 1ajk s ASN 38 Cb -0.11 0.61 0.07 0.00 -1.45 0.00 0.00 41.25 40.37 1ajk s ASN 38 CO 0.10 -1.14 0.68 -0.72 -3.72 0.00 0.00 177.10 172.31 1ajk s TYR 39 N -3.48 -0.61 -0.03 0.43 1.13 -1.26 -0.73 117.35 112.80 1ajk s TYR 39 Ca 0.12 0.89 0.05 0.00 -1.41 0.00 0.00 57.07 56.73 1ajk s TYR 39 Cb -0.04 0.45 -0.01 0.00 -1.10 0.00 0.00 41.96 41.27 1ajk s TYR 39 CO 0.05 -0.65 -0.19 0.71 -2.51 0.00 0.00 175.55 172.96 1ajk s TYR 40 N -1.84 1.75 -0.14 -3.49 1.51 0.10 -4.38 117.35 110.86 1ajk s TYR 40 Ca -0.07 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1ajk s TYR 40 Cb -0.00 -1.15 0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1ajk s TYR 40 CO 0.04 -0.10 -0.05 0.99 -1.11 0.00 0.00 175.55 175.31 1ajk s THR 41 N -0.20 1.00 -1.38 -0.71 2.01 -0.52 -1.22 115.64 114.61 1ajk s THR 41 Ca 0.02 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1ajk s THR 41 Cb -0.10 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1ajk s THR 41 CO 0.01 0.19 0.43 -3.20 -0.69 0.00 0.00 174.62 171.36 1ajk n ASN 42 N 4.93 -0.83 0.00 3.53 5.15 -0.51 -1.21 115.26 126.32 1ajk n ASN 42 Ca -0.11 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 1ajk n ASN 42 Cb 0.49 -2.93 0.00 0.00 -0.53 0.00 0.00 39.78 36.80 1ajk n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ajk n GLY 43 N -2.00 0.66 3.48 8.20 0.00 -0.41 -4.79 105.19 110.33 1ajk n GLY 43 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.96 5.22 0.00 1.61 1.01 -0.35 -5.03 120.40 119.91 1ajk s VAL 44 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1ajk s VAL 44 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1ajk s VAL 44 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1ajk n GLY 45 N 5.12 0.72 2.10 4.51 0.00 -1.26 -1.44 105.19 114.94 1ajk n GLY 45 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 0.18 0.74 -0.02 0.00 -1.26 -4.94 105.19 104.89 1ajk n GLY 46 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.96 0.67 -1.68 1.61 8.25 -1.26 -5.06 115.22 113.79 1ajk n HIS 47 Ca -0.06 -1.16 -0.44 0.00 -0.26 0.00 0.00 57.72 55.80 1ajk n HIS 47 Cb 0.53 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 1ajk n HIS 47 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ajk n GLU 48 N -0.96 2.11 -3.79 -0.41 4.71 -1.26 -4.45 120.64 116.59 1ajk n GLU 48 Ca 0.23 0.75 -0.20 0.00 -0.01 0.00 0.00 57.16 57.93 1ajk n GLU 48 Cb 0.86 -2.39 -0.17 0.00 -1.01 0.00 0.00 31.44 28.72 1ajk n GLU 48 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1ajk s LYS 49 N -0.85 0.32 -0.20 3.49 2.47 0.14 -4.97 119.74 120.14 1ajk s LYS 49 Ca 0.64 0.18 -0.06 0.00 -1.56 0.00 0.00 55.97 55.17 1ajk s LYS 49 Cb -0.61 -0.70 -0.03 0.00 -1.46 0.00 0.00 37.83 35.03 1ajk s LYS 49 CO 0.53 -0.26 0.03 0.08 0.16 0.00 0.00 175.35 175.88 1ajk s VAL 50 N 1.77 4.21 0.10 4.02 1.01 -1.26 -0.44 120.40 129.81 1ajk s VAL 50 Ca 0.01 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1ajk s VAL 50 Cb -0.13 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1ajk s VAL 50 CO -0.04 0.42 -0.26 0.27 0.00 0.00 0.00 175.10 175.50 1ajk s ILE 51 N 0.93 2.15 -0.15 2.22 -4.36 -0.13 -4.96 121.20 116.89 1ajk s ILE 51 Ca 0.02 -1.60 -0.26 0.00 -0.26 0.00 0.00 60.65 58.55 1ajk s ILE 51 Cb -0.14 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 1ajk s ILE 51 CO 0.02 0.17 0.87 -0.44 0.24 0.00 0.00 174.94 175.80 1ajk s SER 52 N -1.75 7.03 0.12 4.36 0.01 -1.26 -1.89 113.70 120.32 1ajk s SER 52 Ca 0.12 1.27 0.02 0.00 1.31 0.00 0.00 55.95 58.67 1ajk s SER 52 Cb -0.10 -2.48 -0.18 0.00 0.21 0.00 0.00 66.02 63.47 1ajk s SER 52 CO 0.04 -0.39 1.26 -0.07 0.41 0.00 0.00 173.24 174.49 1ajk h LEU 53 N 8.15 0.21 0.00 2.44 3.38 -1.27 -3.48 115.31 124.74 1ajk h LEU 53 Ca -0.30 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1ajk h LEU 53 Cb 1.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ajk h LEU 53 CO 0.84 1.12 0.00 0.61 0.09 0.00 0.00 178.44 181.10 1ajk n GLY 54 N 1.29 0.74 3.45 0.83 0.00 -1.26 -5.02 105.19 105.22 1ajk n GLY 54 Ca -0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 -0.49 -0.46 1.61 -0.12 -1.26 -5.12 117.98 110.14 1ajk s PHE 55 Ca 0.00 0.36 -0.24 0.00 -0.05 0.00 0.00 56.93 57.00 1ajk s PHE 55 Cb 0.00 0.54 0.03 0.00 -0.63 0.00 0.00 43.02 42.96 1ajk s PHE 55 CO 0.00 -0.73 0.83 0.34 -0.05 0.00 0.00 175.22 175.61 1ajk s ASP 56 N -2.53 6.42 0.44 1.98 -1.08 -1.26 -4.29 116.67 116.35 1ajk s ASP 56 Ca 0.01 -0.09 0.14 0.00 -0.52 0.00 0.00 52.55 52.10 1ajk s ASP 56 Cb -0.01 -2.41 1.05 0.00 -1.46 0.00 0.00 42.92 40.10 1ajk s ASP 56 CO -0.10 -0.98 2.00 0.00 0.52 0.00 0.00 175.17 176.61 1ajk h ALA 57 N 9.04 2.02 0.00 3.66 0.00 -0.83 -2.42 119.26 130.73 1ajk h ALA 57 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ajk h ALA 57 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ajk h ALA 57 CO 0.99 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.97 1ajk n SER 58 N -4.47 0.00 -0.70 0.00 3.41 -1.26 -3.32 113.62 107.28 1ajk n SER 58 Ca 0.09 0.25 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 1ajk n SER 58 Cb 0.35 -0.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.97 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 1.74 -3.82 4.33 4.76 -0.91 -4.82 118.16 118.06 1ajk n LYS 59 Ca 0.05 -1.42 -0.06 0.00 -2.87 0.00 0.00 58.31 54.01 1ajk n LYS 59 Cb 0.13 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.17 0.01 -0.02 0.72 0.00 -1.21 -5.15 107.32 99.51 1ajk s GLY 60 Ca 0.22 -0.28 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 1ajk s GLY 60 CO 0.42 0.36 0.50 -1.36 0.00 0.00 0.00 173.10 173.03 1ajk s PHE 61 N -3.01 3.67 0.24 1.90 0.08 -1.26 -4.53 117.98 115.07 1ajk s PHE 61 Ca 0.14 1.07 0.01 0.00 0.12 0.00 0.00 56.93 58.28 1ajk s PHE 61 Cb -0.04 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 1ajk s PHE 61 CO 0.06 0.43 0.08 -1.01 -0.10 0.00 0.00 175.22 174.69 1ajk s HIS 62 N -0.40 1.43 -0.24 0.36 3.76 -1.12 -4.93 115.29 114.15 1ajk s HIS 62 Ca 0.27 -1.17 -0.07 0.00 -0.15 0.00 0.00 55.06 53.94 1ajk s HIS 62 Cb -0.17 -0.82 -0.03 0.00 1.11 0.00 0.00 32.58 32.66 1ajk s HIS 62 CO 0.15 -0.34 0.07 0.99 -0.85 0.00 0.00 174.74 174.75 1ajk s THR 63 N -3.78 4.43 -0.01 1.30 2.01 -1.26 -2.25 115.64 116.08 1ajk s THR 63 Ca 0.35 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.25 1ajk s THR 63 Cb 0.07 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1ajk s THR 63 CO 0.12 0.36 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.00 1ajk s TYR 64 N 1.40 2.83 0.09 4.92 2.02 0.19 -0.19 117.35 128.63 1ajk s TYR 64 Ca 0.05 -0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.56 1ajk s TYR 64 Cb -0.15 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1ajk s TYR 64 CO 0.04 0.33 0.30 0.00 -1.57 0.00 0.00 175.55 174.65 1ajk s ALA 65 N -0.94 -0.61 -0.00 3.71 0.00 -0.52 -0.84 121.76 122.56 1ajk s ALA 65 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1ajk s ALA 65 Cb -0.11 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1ajk s ALA 65 CO 0.06 -0.54 -0.01 -0.59 0.00 0.00 0.00 175.76 174.68 1ajk s PHE 66 N -3.53 0.08 -0.33 0.00 -0.12 -0.26 -0.74 117.98 113.09 1ajk s PHE 66 Ca 0.02 -0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 56.79 1ajk s PHE 66 Cb 0.02 -0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.34 1ajk s PHE 66 CO -0.10 -0.01 0.17 0.34 -0.05 0.00 0.00 175.22 175.58 1ajk s ASP 67 N 0.07 5.66 -0.36 1.98 2.15 0.63 -0.92 116.67 125.88 1ajk s ASP 67 Ca -0.00 -0.58 -0.09 0.00 0.43 0.00 0.00 52.55 52.30 1ajk s ASP 67 Cb -0.01 -2.03 0.03 0.00 -0.30 0.00 0.00 42.92 40.61 1ajk s ASP 67 CO -0.00 -0.23 0.16 0.86 -0.17 0.00 0.00 175.17 175.79 1ajk s TRP 68 N 1.62 3.25 0.29 -5.34 -0.00 -0.07 -1.50 118.94 117.19 1ajk s TRP 68 Ca 0.04 -1.15 0.11 0.00 -0.00 0.00 0.00 56.10 55.10 1ajk s TRP 68 Cb -0.17 -2.37 -0.05 0.00 -0.00 0.00 0.00 33.47 30.87 1ajk s TRP 68 CO 0.07 -0.68 -0.16 -0.65 -0.00 0.00 0.00 176.95 175.53 1ajk s GLN 69 N 1.49 1.68 0.28 5.86 -1.52 -0.10 -0.55 119.66 126.81 1ajk s GLN 69 Ca 0.00 -1.80 0.01 0.00 -1.95 0.00 0.00 55.36 51.62 1ajk s GLN 69 Cb -0.19 -1.67 0.57 0.00 -0.22 0.00 0.00 33.01 31.50 1ajk s GLN 69 CO 0.05 0.25 1.81 -1.35 -0.25 0.00 0.00 175.29 175.80 1ajk h PRO 70 N 2.22 0.85 0.00 2.91 0.10 -1.98 -2.73 132.00 133.38 1ajk h PRO 70 Ca -0.40 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.64 1ajk h PRO 70 Cb 1.25 -0.19 0.00 0.00 0.10 0.00 0.00 31.00 32.16 1ajk h PRO 70 CO 0.63 0.56 -0.46 0.41 0.10 0.00 0.00 178.00 179.24 1ajk n GLY 71 N -1.34 -1.34 3.73 -0.55 0.00 -1.26 -4.80 105.19 99.63 1ajk n GLY 71 Ca 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.05 -0.16 -0.05 1.61 -0.85 -1.03 -4.63 117.35 109.19 1ajk s TYR 72 Ca 0.10 -0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.54 1ajk s TYR 72 Cb 0.16 0.63 0.01 0.00 0.38 0.00 0.00 41.96 43.14 1ajk s TYR 72 CO 0.68 -0.82 -0.12 0.42 -1.52 0.00 0.00 175.55 174.19 1ajk s ILE 73 N -3.30 1.10 -0.07 -3.49 1.01 -0.62 -0.92 121.20 114.91 1ajk s ILE 73 Ca 0.11 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1ajk s ILE 73 Cb -0.01 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 1ajk s ILE 73 CO 0.01 0.34 -0.20 -0.54 0.00 0.00 0.00 174.94 174.55 1ajk s LYS 74 N 0.42 2.32 -0.05 2.79 1.02 -0.56 -0.61 119.74 125.08 1ajk s LYS 74 Ca -0.09 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.20 1ajk s LYS 74 Cb -0.13 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 1ajk s LYS 74 CO 0.03 0.20 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.00 1ajk s TRP 75 N 0.23 2.90 0.05 3.18 0.51 -0.25 -0.27 118.94 125.30 1ajk s TRP 75 Ca -0.11 -0.01 0.06 0.00 -2.12 0.00 0.00 56.10 53.92 1ajk s TRP 75 Cb -0.15 -1.67 -0.03 0.00 -0.81 0.00 0.00 33.47 30.81 1ajk s TRP 75 CO 0.05 0.33 -0.16 0.71 -0.51 0.00 0.00 176.95 177.37 1ajk s TYR 76 N -0.86 1.42 -0.15 -1.98 1.51 0.08 -0.90 117.35 116.48 1ajk s TYR 76 Ca 0.14 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1ajk s TYR 76 Cb -0.11 -0.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1ajk s TYR 76 CO 0.03 0.07 -0.10 0.08 -1.11 0.00 0.00 175.55 174.52 1ajk s VAL 77 N -0.95 1.37 -1.48 0.71 1.01 -0.60 -1.44 120.40 119.02 1ajk s VAL 77 Ca 0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1ajk s VAL 77 Cb -0.09 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 34.97 1ajk s VAL 77 CO 0.02 0.31 0.84 0.47 0.00 0.00 0.00 175.10 176.74 1ajk n ASP 78 N 4.81 -3.35 -0.02 3.32 8.00 0.74 -1.43 116.55 128.62 1ajk n ASP 78 Ca -0.14 -0.83 -0.00 0.00 0.71 0.00 0.00 54.79 54.52 1ajk n ASP 78 Cb 0.49 -3.74 -0.00 0.00 -0.02 0.00 0.00 41.12 37.85 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 -1.67 0.37 3.38 0.44 0.00 -1.26 -5.02 105.19 101.44 1ajk n GLY 79 Ca -0.07 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.73 3.73 0.12 1.61 1.01 -0.51 -5.05 120.40 119.57 1ajk s VAL 80 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 61.98 61.25 1ajk s VAL 80 Cb 0.00 -2.70 -0.16 0.00 0.00 0.00 0.00 36.38 33.52 1ajk s VAL 80 CO 0.00 0.41 1.44 -0.11 0.00 0.00 0.00 175.10 176.84 1ajk n LEU 81 N 4.60 2.25 0.00 3.92 7.94 -1.26 -1.55 117.00 132.90 1ajk n LEU 81 Ca -0.17 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1ajk n LEU 81 Cb 0.51 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.17 1ajk n LEU 81 CO 0.30 -0.73 -0.41 0.29 -1.11 0.00 0.00 177.39 175.73 1ajk n LYS 82 N 2.90 1.17 -3.56 1.96 4.76 -0.08 -4.92 118.16 120.40 1ajk n LYS 82 Ca 0.18 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 1ajk n LYS 82 Cb 0.23 -0.91 -0.06 0.00 -1.84 0.00 0.00 35.03 32.45 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 -1.65 -0.53 -0.02 2.13 2.46 -1.18 -4.99 115.29 111.53 1ajk s HIS 83 Ca 0.00 0.94 0.02 0.00 0.47 0.00 0.00 55.06 56.49 1ajk s HIS 83 Cb 0.00 0.42 -0.00 0.00 -0.13 0.00 0.00 32.58 32.87 1ajk s HIS 83 CO 0.00 -0.46 -0.08 0.99 -2.47 0.00 0.00 174.74 172.72 1ajk s THR 84 N -1.03 0.65 0.03 0.89 2.01 -1.26 -1.09 115.64 115.84 1ajk s THR 84 Ca -0.06 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.69 1ajk s THR 84 Cb -0.01 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1ajk s THR 84 CO 0.05 0.20 -0.20 0.00 -0.69 0.00 0.00 174.62 173.98 1ajk s ALA 85 N 0.05 1.69 0.00 7.40 0.00 0.22 -4.98 121.76 126.14 1ajk s ALA 85 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1ajk s ALA 85 Cb -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1ajk s ALA 85 CO -0.00 0.39 0.00 0.25 0.00 0.00 0.00 175.76 176.40 1ajk n THR 86 N 2.07 0.00 -3.13 0.00 -2.24 -1.26 -1.59 114.28 108.13 1ajk n THR 86 Ca -0.17 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 60.97 1ajk n THR 86 Cb 0.53 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.51 3.54 -1.17 6.98 0.00 -1.26 -4.48 121.76 124.85 1ajk s ALA 87 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 1ajk s ALA 87 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1ajk s ALA 87 CO 0.00 -0.52 0.80 -1.71 0.00 0.00 0.00 175.76 174.32 1ajk n ASN 88 N 4.96 -4.35 -4.75 0.00 5.15 -1.26 -4.91 115.26 110.11 1ajk n ASN 88 Ca -0.02 -0.87 -0.41 0.00 -0.60 0.00 0.00 54.58 52.68 1ajk n ASN 88 Cb 0.50 -4.08 -0.05 0.00 -0.53 0.00 0.00 39.78 35.62 1ajk n ASN 88 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ajk s ILE 89 N -3.51 3.88 0.76 -1.44 -1.09 -1.26 -4.69 121.20 113.85 1ajk s ILE 89 Ca 0.32 1.76 -0.14 0.00 -2.23 0.00 0.00 60.65 60.36 1ajk s ILE 89 Cb -0.09 -4.12 0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1ajk s ILE 89 CO 0.81 0.36 1.21 -2.16 -1.23 0.00 0.00 174.94 173.94 1ajk s PRO 90 N -0.85 1.95 0.00 2.79 0.04 -1.26 -4.97 135.00 132.70 1ajk s PRO 90 Ca 0.45 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1ajk s PRO 90 Cb -0.29 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1ajk s PRO 90 CO 0.35 -1.98 0.28 -1.13 0.04 0.00 0.00 177.00 174.56 1ajk n SER 91 N -2.92 0.43 -4.54 6.66 3.41 -1.26 -4.91 113.62 110.49 1ajk n SER 91 Ca 0.14 -1.07 -0.37 0.00 -0.26 0.00 0.00 58.87 57.31 1ajk n SER 91 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.07 4.81 0.52 6.66 2.01 -1.26 -5.03 115.64 123.28 1ajk s THR 92 Ca 0.00 -0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1ajk s THR 92 Cb 0.00 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 1ajk s THR 92 CO 0.00 0.32 0.88 -2.65 -0.69 0.00 0.00 174.62 172.49 1ajk n PRO 93 N 4.73 0.98 -3.57 4.92 -0.02 -1.26 -4.87 135.00 135.92 1ajk n PRO 93 Ca -0.15 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1ajk n PRO 93 Cb 0.52 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1ajk n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ajk n GLY 94 N 1.36 2.72 3.89 -1.23 0.00 -0.75 -4.78 105.19 106.38 1ajk n GLY 94 Ca 0.12 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1ajk n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajk s LYS 95 N -2.81 3.70 -0.09 1.61 1.02 0.20 -0.34 119.74 123.02 1ajk s LYS 95 Ca 0.26 0.32 -0.18 0.00 0.02 0.00 0.00 55.97 56.39 1ajk s LYS 95 Cb 0.00 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1ajk s LYS 95 CO 0.19 -0.03 0.48 0.42 -0.92 0.00 0.00 175.35 175.49 1ajk s ILE 96 N -2.41 5.13 0.01 2.17 1.01 -1.26 -0.30 121.20 125.56 1ajk s ILE 96 Ca 0.49 0.97 -0.01 0.00 0.00 0.00 0.00 60.65 62.11 1ajk s ILE 96 Cb -0.10 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1ajk s ILE 96 CO 0.34 0.37 -0.01 -0.04 0.00 0.00 0.00 174.94 175.60 1ajk s MET 97 N 0.32 0.27 -0.00 2.79 -1.94 0.69 -0.67 119.30 120.76 1ajk s MET 97 Ca 0.26 -0.48 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1ajk s MET 97 Cb -0.16 0.10 -0.00 0.00 2.01 0.00 0.00 34.83 36.78 1ajk s MET 97 CO 0.11 -0.05 -0.05 -1.64 -0.01 0.00 0.00 175.02 173.38 1ajk s MET 98 N -1.19 0.44 0.14 2.03 -1.94 -0.64 -0.73 119.30 117.41 1ajk s MET 98 Ca -0.13 -0.19 -0.13 0.00 -1.71 0.00 0.00 55.69 53.53 1ajk s MET 98 Cb -0.08 -0.43 0.02 0.00 2.01 0.00 0.00 34.83 36.34 1ajk s MET 98 CO -0.01 0.11 0.35 0.54 -0.01 0.00 0.00 175.02 176.01 1ajk s ASN 99 N -0.11 -0.10 -0.05 3.03 2.20 -1.14 -1.33 114.94 117.45 1ajk s ASN 99 Ca 0.02 -0.55 0.01 0.00 -0.94 0.00 0.00 52.86 51.40 1ajk s ASN 99 Cb -0.02 0.45 0.02 0.00 -2.00 0.00 0.00 41.25 39.70 1ajk s ASN 99 CO -0.00 -0.87 -0.04 -0.22 -2.94 0.00 0.00 177.10 173.03 1ajk s LEU 100 N -2.87 1.24 0.34 3.54 2.96 -0.44 -0.84 118.68 122.62 1ajk s LEU 100 Ca 0.08 -0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 1ajk s LEU 100 Cb 0.02 -0.44 0.03 0.00 0.50 0.00 0.00 46.19 46.31 1ajk s LEU 100 CO -0.07 -0.07 0.68 -1.66 -1.32 0.00 0.00 176.35 173.91 1ajk s TRP 101 N 1.05 0.27 0.06 5.38 1.48 -0.61 -2.36 118.94 124.20 1ajk s TRP 101 Ca -0.09 -0.78 0.02 0.00 -1.06 0.00 0.00 56.10 54.18 1ajk s TRP 101 Cb -0.14 0.57 -0.03 0.00 -1.16 0.00 0.00 33.47 32.71 1ajk s TRP 101 CO -0.01 -1.36 -0.06 0.54 -4.06 0.00 0.00 176.95 171.99 1ajk s ASN 102 N -3.07 0.84 0.00 -2.66 4.22 -1.26 -1.07 114.94 111.94 1ajk s ASN 102 Ca 0.18 -0.72 0.00 0.00 -2.14 0.00 0.00 52.86 50.18 1ajk s ASN 102 Cb -0.04 0.08 0.00 0.00 1.28 0.00 0.00 41.25 42.57 1ajk s ASN 102 CO 0.12 -0.33 0.00 0.61 -2.04 0.00 0.00 177.10 175.46 1ajk n GLY 103 N 0.91 3.06 3.30 0.45 0.00 0.23 -1.39 105.19 111.76 1ajk n GLY 103 Ca -0.19 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 1ajk n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ajk n THR 104 N -0.32 1.08 -3.24 2.61 -1.04 -1.26 -4.61 114.28 107.50 1ajk n THR 104 Ca 0.00 -0.97 -0.39 0.00 -2.04 0.00 0.00 64.05 60.66 1ajk n THR 104 Cb 0.00 -2.18 -0.06 0.00 -1.82 0.00 0.00 70.33 66.27 1ajk n THR 104 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ajk s PRO 118 N 6.02 4.25 -0.02 -2.82 0.01 -1.26 -4.16 135.00 137.02 1ajk s PRO 118 Ca 0.64 0.76 0.01 0.00 0.01 0.00 0.00 61.00 62.42 1ajk s PRO 118 Cb 0.13 -3.27 -0.03 0.00 0.01 0.00 0.00 34.50 31.33 1ajk s PRO 118 CO 0.21 0.56 -0.03 -0.51 0.01 0.00 0.00 177.00 177.24 1ajk s LEU 119 N -0.87 3.35 -0.01 -5.54 1.43 -0.82 -4.95 118.68 111.27 1ajk s LEU 119 Ca 0.30 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1ajk s LEU 119 Cb -0.19 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1ajk s LEU 119 CO 0.19 0.31 -0.11 -0.31 0.23 0.00 0.00 176.35 176.66 1ajk s TYR 120 N -0.98 1.01 -0.07 0.29 2.02 -1.26 -0.59 117.35 117.77 1ajk s TYR 120 Ca 0.17 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1ajk s TYR 120 Cb -0.11 -0.65 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 1ajk s TYR 120 CO 0.07 -0.02 -0.11 0.00 -1.57 0.00 0.00 175.55 173.92 1ajk s ALA 121 N -0.26 2.80 -0.02 3.71 0.00 -0.33 -3.66 121.76 124.00 1ajk s ALA 121 Ca 0.04 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1ajk s ALA 121 Cb -0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1ajk s ALA 121 CO -0.00 0.50 -0.25 -1.21 0.00 0.00 0.00 175.76 174.80 1ajk s GLU 122 N -0.54 1.99 -0.10 0.00 2.02 -0.55 -0.62 118.70 120.90 1ajk s GLU 122 Ca 0.08 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1ajk s GLU 122 Cb -0.12 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.20 1ajk s GLU 122 CO 0.02 0.53 -0.14 0.71 0.02 0.00 0.00 175.26 176.39 1ajk s TYR 123 N -0.58 1.83 -0.15 1.61 1.51 -0.52 -0.70 117.35 120.34 1ajk s TYR 123 Ca 0.10 -0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 55.24 1ajk s TYR 123 Cb -0.09 -1.33 -0.24 0.00 -0.11 0.00 0.00 41.96 40.19 1ajk s TYR 123 CO -0.01 -0.42 0.31 -3.47 -1.11 0.00 0.00 175.55 170.85 1ajk n ASP 124 N 4.09 2.05 -3.60 2.29 2.03 0.19 -0.71 116.55 122.89 1ajk n ASP 124 Ca -0.20 0.27 -0.09 0.00 0.52 0.00 0.00 54.79 55.29 1ajk n ASP 124 Cb 0.51 -0.89 -0.02 0.00 -0.72 0.00 0.00 41.12 40.01 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 -2.50 -0.36 0.00 -0.67 1.48 -1.23 -4.40 118.94 111.26 1ajk s TRP 125 Ca -0.25 0.07 0.02 0.00 -1.06 0.00 0.00 56.10 54.89 1ajk s TRP 125 Cb 0.07 0.61 -0.01 0.00 -1.16 0.00 0.00 33.47 32.98 1ajk s TRP 125 CO 0.71 -0.91 -0.07 0.08 -4.06 0.00 0.00 176.95 172.70 1ajk s VAL 126 N -3.64 0.54 -0.01 -0.66 1.01 -0.67 -1.64 120.40 115.32 1ajk s VAL 126 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ajk s VAL 126 Cb -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1ajk s VAL 126 CO -0.05 0.10 0.00 -0.75 0.00 0.00 0.00 175.10 174.40 1ajk s LYS 127 N -0.31 0.08 -0.18 2.72 2.20 0.17 -1.13 119.74 123.29 1ajk s LYS 127 Ca 0.01 0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1ajk s LYS 127 Cb -0.03 -0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.12 1ajk s LYS 127 CO -0.00 -0.06 -0.20 -0.47 -0.36 0.00 0.00 175.35 174.26 1ajk s TYR 128 N 0.45 2.75 -0.41 4.03 5.04 -0.14 -0.39 117.35 128.68 1ajk s TYR 128 Ca -0.04 -1.61 -0.11 0.00 -2.44 0.00 0.00 57.07 52.87 1ajk s TYR 128 Cb -0.06 -1.90 0.05 0.00 0.35 0.00 0.00 41.96 40.40 1ajk s TYR 128 CO -0.01 -0.79 0.26 0.99 -1.34 0.00 0.00 175.55 174.66 1ajk s THR 129 N 1.25 4.59 0.69 4.34 2.01 0.36 -1.03 115.64 127.84 1ajk s THR 129 Ca 0.04 -1.07 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 1ajk s THR 129 Cb -0.13 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1ajk s THR 129 CO -0.12 -0.39 1.07 -0.55 -0.69 0.00 0.00 174.62 173.95 1ajk s SER 130 N 1.91 5.23 0.27 3.53 0.15 -1.26 -1.65 113.70 121.88 1ajk s SER 130 Ca 0.03 1.75 0.08 0.00 0.70 0.00 0.00 55.95 58.50 1ajk s SER 130 Cb -0.21 -2.51 0.35 0.00 -1.71 0.00 0.00 66.02 61.93 1ajk s SER 130 CO 0.05 -1.54 1.61 0.78 1.20 0.00 0.00 173.24 175.34 1ajk h ASN 131 N -0.49 0.14 -3.18 5.45 2.35 -1.93 -3.45 115.58 114.48 1ajk h ASN 131 Ca -0.45 -0.08 -0.58 0.00 -0.55 0.00 0.00 56.30 54.64 1ajk h ASN 131 Cb 1.22 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.51 1ajk h ASN 131 CO 0.55 0.68 -0.16 -1.10 -1.65 0.00 0.00 177.43 175.76 1ajk s GLN 132 N -3.77 3.90 0.24 0.81 -1.52 -1.26 -5.03 119.66 113.03 1ajk s GLN 132 Ca -0.03 0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 53.46 1ajk s GLN 132 Cb 0.13 -3.03 -0.14 0.00 -0.22 0.00 0.00 33.01 29.74 1ajk s GLN 132 CO 0.78 0.56 1.15 2.41 -0.25 0.00 0.00 175.29 179.94 1ajk n THR 133 N 1.11 1.40 -1.23 -0.19 -1.04 -1.26 -2.61 114.28 110.46 1ajk n THR 133 Ca -0.08 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.05 61.50 1ajk n THR 133 Cb 0.52 -1.07 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 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 1.66 0.95 0.61 3.41 0.00 -1.26 -4.90 105.19 105.66 1ajk n GLY 134 Ca 0.12 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.40 0.53 3.82 -0.02 0.00 -1.07 -5.03 105.19 102.02 1ajk n GLY 135 Ca -0.08 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.13 4.40 -0.13 1.61 0.01 -1.26 -4.51 113.70 112.68 1ajk s SER 136 Ca 0.19 1.17 -0.10 0.00 1.31 0.00 0.00 55.95 58.52 1ajk s SER 136 Cb 0.12 -1.86 0.04 0.00 0.21 0.00 0.00 66.02 64.53 1ajk s SER 136 CO 0.18 -2.01 0.33 0.12 0.41 0.00 0.00 173.24 172.27 1ajk s PHE 137 N -3.24 -0.42 0.01 2.43 5.36 -0.20 -4.97 117.98 116.96 1ajk s PHE 137 Ca 0.61 0.97 0.04 0.00 -0.96 0.00 0.00 56.93 57.59 1ajk s PHE 137 Cb -0.14 0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1ajk s PHE 137 CO 0.53 -0.23 -0.13 0.12 -1.46 0.00 0.00 175.22 174.05 1ajk s PHE 138 N 0.69 1.16 -0.07 10.12 5.36 -1.26 -0.97 117.98 133.02 1ajk s PHE 138 Ca -0.04 -0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 55.64 1ajk s PHE 138 Cb -0.05 -0.73 0.03 0.00 -0.34 0.00 0.00 43.02 41.93 1ajk s PHE 138 CO -0.05 0.00 0.01 -2.00 -1.46 0.00 0.00 175.22 171.73 1ajk s GLU 139 N -0.63 0.49 0.00 10.12 2.56 -0.28 -5.01 118.70 125.95 1ajk s GLU 139 Ca 0.03 0.13 0.24 0.00 0.00 0.00 0.00 54.97 55.38 1ajk s GLU 139 Cb -0.06 -0.94 0.47 0.00 2.00 0.00 0.00 34.13 35.60 1ajk s GLU 139 CO 0.00 -0.32 1.42 -0.35 -0.56 0.00 0.00 175.26 175.45 1ajk n PRO 140 N 5.17 2.20 -3.48 4.30 -0.04 -1.26 -1.67 135.00 140.21 1ajk n PRO 140 Ca -0.06 -1.77 -0.18 0.00 -0.04 0.00 0.00 63.50 61.44 1ajk n PRO 140 Cb 0.50 -1.47 0.07 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 1.07 -2.14 0.02 0.54 3.72 -1.26 -4.64 117.46 114.77 1ajk n PHE 141 Ca 0.17 0.90 -0.12 0.00 -0.05 0.00 0.00 57.45 58.34 1ajk n PHE 141 Cb 0.53 -4.79 -0.14 0.00 -0.94 0.00 0.00 39.48 34.15 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 -1.81 0.16 -5.12 4.37 2.35 -1.93 -3.24 115.58 110.35 1ajk h ASN 142 Ca -0.60 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 54.84 1ajk h ASN 142 Cb 1.34 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 1ajk h ASN 142 CO 0.51 1.22 0.14 -0.94 -1.65 0.00 0.00 177.43 176.71 1ajk s SER 143 N -6.56 0.12 -0.43 5.81 1.04 -1.26 -4.81 113.70 107.62 1ajk s SER 143 Ca -0.07 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 54.99 1ajk s SER 143 Cb 0.08 0.77 0.01 0.00 0.10 0.00 0.00 66.02 66.98 1ajk s SER 143 CO 0.83 -1.50 1.40 -0.47 0.98 0.00 0.00 173.24 174.48 1ajk s TYR 144 N -2.93 2.41 -0.72 5.02 5.04 -1.26 -4.98 117.35 119.93 1ajk s TYR 144 Ca 0.18 0.66 -0.18 0.00 -2.44 0.00 0.00 57.07 55.30 1ajk s TYR 144 Cb -0.04 -4.33 0.14 0.00 0.35 0.00 0.00 41.96 38.08 1ajk s TYR 144 CO 0.12 -1.94 0.81 1.21 -1.34 0.00 0.00 175.55 174.41 1ajk s ASN 145 N 3.90 6.42 0.65 4.32 3.84 -1.26 -4.92 114.94 127.88 1ajk s ASN 145 Ca 0.60 -1.88 0.40 0.00 0.21 0.00 0.00 52.86 52.19 1ajk s ASN 145 Cb -0.13 -2.30 2.21 0.00 -0.55 0.00 0.00 41.25 40.48 1ajk s ASN 145 CO 0.32 -0.97 2.30 0.77 -2.79 0.00 0.00 177.10 176.73 1ajk h SER 146 N 8.77 0.00 1.29 -4.21 4.64 -1.94 -1.32 113.55 120.78 1ajk h SER 146 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1ajk h SER 146 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1ajk h SER 146 CO 1.02 0.00 -0.16 0.61 -0.87 0.00 0.00 176.83 177.43 1ajk n GLY 147 N -1.16 -1.62 0.05 -0.77 0.00 -1.26 -4.21 105.19 96.22 1ajk n GLY 147 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1ajk n GLY 147 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ajk n THR 148 N -2.18 0.63 -4.35 2.61 -1.04 -0.60 -4.79 114.28 104.57 1ajk n THR 148 Ca 0.05 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.05 61.51 1ajk n THR 148 Cb 0.43 -0.77 -0.10 0.00 -1.82 0.00 0.00 70.33 68.06 1ajk n THR 148 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1ajk s TRP 149 N -2.22 1.66 0.02 -1.42 0.52 -0.60 -0.85 118.94 116.06 1ajk s TRP 149 Ca -0.05 -0.70 0.01 0.00 0.02 0.00 0.00 56.10 55.37 1ajk s TRP 149 Cb 0.03 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.46 1ajk s TRP 149 CO 0.36 0.21 -0.04 -1.83 0.02 0.00 0.00 176.95 175.68 1ajk s GLU 150 N -3.72 0.34 -0.15 4.98 -1.05 0.85 -4.35 118.70 115.59 1ajk s GLU 150 Ca 0.24 -0.57 -0.10 0.00 -0.15 0.00 0.00 54.97 54.39 1ajk s GLU 150 Cb 0.02 -0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.65 1ajk s GLU 150 CO 0.07 -0.02 0.17 0.15 0.95 0.00 0.00 175.26 176.59 1ajk s LYS 151 N -1.31 3.87 0.43 -4.83 1.02 -1.26 -1.73 119.74 115.93 1ajk s LYS 151 Ca -0.12 -0.10 -0.24 0.00 0.02 0.00 0.00 55.97 55.53 1ajk s LYS 151 Cb -0.09 -3.31 -0.08 0.00 -0.52 0.00 0.00 37.83 33.83 1ajk s LYS 151 CO -0.01 0.52 1.13 0.00 -0.92 0.00 0.00 175.35 176.08 1ajk s ALA 152 N -0.30 3.05 -0.24 5.17 0.00 0.09 -4.87 121.76 124.65 1ajk s ALA 152 Ca 0.13 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 1ajk s ALA 152 Cb -0.12 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 19.74 1ajk s ALA 152 CO 0.02 -0.50 0.81 0.34 0.00 0.00 0.00 175.76 176.43 1ajk s ASP 153 N -1.37 -0.65 0.00 0.00 2.15 -1.26 -2.78 116.67 112.76 1ajk s ASP 153 Ca 0.60 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.75 1ajk s ASP 153 Cb -0.27 1.16 0.00 0.00 -0.30 0.00 0.00 42.92 43.50 1ajk s ASP 153 CO 0.33 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 1ajk n GLY 154 N 2.26 0.65 3.27 2.66 0.00 -0.57 -4.96 105.19 108.51 1ajk n GLY 154 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.52 0.69 0.05 1.61 1.13 -1.26 -4.99 117.35 112.06 1ajk s TYR 155 Ca 0.00 -1.03 0.04 0.00 -1.41 0.00 0.00 57.07 54.67 1ajk s TYR 155 Cb 0.00 -0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 1ajk s TYR 155 CO 0.00 -0.66 -0.01 0.45 -2.51 0.00 0.00 175.55 172.82 1ajk s SER 156 N -3.03 4.97 0.40 -0.18 0.15 -1.26 -0.89 113.70 113.85 1ajk s SER 156 Ca 0.24 -0.14 0.19 0.00 0.70 0.00 0.00 55.95 56.94 1ajk s SER 156 Cb 0.05 -1.20 0.81 0.00 -1.71 0.00 0.00 66.02 63.96 1ajk s SER 156 CO 0.03 0.22 1.80 0.78 1.20 0.00 0.00 173.24 177.27 1ajk h ASN 157 N 3.83 0.00 0.00 5.45 4.21 -1.90 -3.49 115.58 123.68 1ajk h ASN 157 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1ajk h ASN 157 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1ajk h ASN 157 CO 0.58 0.34 0.00 0.61 -1.29 0.00 0.00 177.43 177.67 1ajk n GLY 158 N -0.04 0.04 7.00 2.83 0.00 -1.26 -4.90 105.19 108.86 1ajk n GLY 158 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 3.29 0.27 -0.02 0.00 -1.26 -2.15 105.19 105.32 1ajk n GLY 159 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 0.35 -3.27 1.61 3.04 -1.98 -3.43 116.25 112.57 1ajk h VAL 160 Ca 0.00 -0.58 -0.53 0.00 -1.01 0.00 0.00 66.70 64.58 1ajk h VAL 160 Cb 0.00 1.42 0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1ajk h VAL 160 CO 0.00 0.09 0.56 -0.36 -1.01 0.00 0.00 177.57 176.86 1ajk s PHE 161 N -3.95 3.44 -0.26 3.17 0.40 -0.91 -4.11 117.98 115.75 1ajk s PHE 161 Ca -0.01 1.33 0.08 0.00 -0.60 0.00 0.00 56.93 57.73 1ajk s PHE 161 Cb 0.11 -3.43 0.45 0.00 0.51 0.00 0.00 43.02 40.66 1ajk s PHE 161 CO 0.56 -1.28 1.20 -1.71 0.70 0.00 0.00 175.22 174.70 1ajk n ASN 162 N 3.52 3.77 -3.75 1.36 5.15 -0.49 -4.19 115.26 120.63 1ajk n ASN 162 Ca 0.08 -3.80 -0.10 0.00 -0.60 0.00 0.00 54.58 50.16 1ajk n ASN 162 Cb 0.46 -0.41 -0.06 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 -3.84 4.91 0.23 0.00 2.01 -0.68 -4.37 115.64 113.90 1ajk s THR 164 Ca 0.05 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1ajk s THR 164 Cb 0.03 -3.22 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 1ajk s THR 164 CO -0.11 0.46 1.39 0.26 -0.69 0.00 0.00 174.62 175.93 1ajk s TRP 165 N 0.36 3.11 -0.07 4.92 0.23 -0.07 -0.61 118.94 126.81 1ajk s TRP 165 Ca 0.04 1.09 0.02 0.00 -2.03 0.00 0.00 56.10 55.23 1ajk s TRP 165 Cb -0.12 -3.74 0.01 0.00 0.03 0.00 0.00 33.47 29.65 1ajk s TRP 165 CO -0.00 -2.38 -0.13 1.03 0.96 0.00 0.00 176.95 176.43 1ajk s ARG 166 N -0.27 1.79 0.55 4.98 1.81 -0.68 -1.51 118.95 125.62 1ajk s ARG 166 Ca 0.58 -0.44 0.33 0.00 -1.72 0.00 0.00 55.73 54.48 1ajk s ARG 166 Cb -0.40 -1.47 1.59 0.00 -0.45 0.00 0.00 34.95 34.22 1ajk s ARG 166 CO 0.41 0.03 2.09 0.00 -0.68 0.00 0.00 175.30 177.15 1ajk h ALA 167 N 6.99 1.12 0.00 2.13 0.00 -1.83 -1.30 119.26 126.37 1ajk h ALA 167 Ca -0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ajk h ALA 167 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ajk h ALA 167 CO 0.47 0.09 -0.01 -0.91 0.00 0.00 0.00 179.25 178.89 1ajk h ASN 168 N 0.00 0.00 -0.41 0.00 4.21 -1.94 -2.50 115.58 114.94 1ajk h ASN 168 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ajk h ASN 168 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1ajk h ASN 168 CO 0.01 0.01 0.00 0.59 -1.29 0.00 0.00 177.43 176.75 1ajk n ASN 169 N -3.27 2.65 -4.42 5.81 4.13 -0.49 -4.74 115.26 114.92 1ajk n ASN 169 Ca -0.02 -1.93 -0.41 0.00 1.68 0.00 0.00 54.58 53.89 1ajk n ASN 169 Cb 0.12 -0.27 -0.11 0.00 -1.54 0.00 0.00 39.78 37.98 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 -1.46 4.85 0.21 2.41 1.01 -0.94 -0.96 120.40 125.53 1ajk s VAL 170 Ca 0.35 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1ajk s VAL 170 Cb 0.19 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1ajk s VAL 170 CO 0.26 -0.21 0.03 0.20 0.00 0.00 0.00 175.10 175.38 1ajk s ASN 171 N 1.61 1.35 -0.08 3.32 0.01 -0.29 -4.98 114.94 115.89 1ajk s ASN 171 Ca 0.04 -1.25 0.04 0.00 -0.71 0.00 0.00 52.86 50.98 1ajk s ASN 171 Cb -0.19 0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1ajk s ASN 171 CO 0.08 -0.60 -0.20 -0.36 -1.51 0.00 0.00 177.10 174.51 1ajk s PHE 172 N -3.63 2.10 0.68 2.20 0.40 -1.26 -0.04 117.98 118.44 1ajk s PHE 172 Ca 0.29 -0.78 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 1ajk s PHE 172 Cb 0.06 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1ajk s PHE 172 CO 0.08 -0.32 1.07 0.95 0.70 0.00 0.00 175.22 177.70 1ajk s THR 173 N 0.33 3.66 -0.65 0.64 -4.23 -0.02 -4.93 115.64 110.44 1ajk s THR 173 Ca -0.14 0.49 0.24 0.00 -1.18 0.00 0.00 61.69 61.10 1ajk s THR 173 Cb -0.16 -3.53 0.25 0.00 1.34 0.00 0.00 72.50 70.40 1ajk s THR 173 CO 0.06 -0.68 1.73 -0.46 -0.54 0.00 0.00 174.62 174.72 1ajk n ASN 174 N -2.93 0.61 -2.08 3.99 6.94 -1.26 -2.47 115.26 118.06 1ajk n ASN 174 Ca 0.07 0.61 -0.15 0.00 -0.02 0.00 0.00 54.58 55.09 1ajk n ASN 174 Cb 0.57 -0.75 0.24 0.00 -2.36 0.00 0.00 39.78 37.47 1ajk n ASN 174 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1ajk n ASP 175 N -2.13 4.20 -0.92 0.53 5.75 -1.26 -4.97 116.55 117.76 1ajk n ASP 175 Ca 0.04 -3.44 -0.03 0.00 -0.01 0.00 0.00 54.79 51.35 1ajk n ASP 175 Cb 0.30 -0.79 0.01 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.69 0.72 3.18 6.12 0.00 -1.03 -5.07 105.19 108.41 1ajk n GLY 176 Ca 0.50 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.00 1.06 0.16 1.61 1.02 -1.22 -4.62 119.74 112.76 1ajk s LYS 177 Ca 0.06 -0.83 -0.27 0.00 0.02 0.00 0.00 55.97 54.95 1ajk s LYS 177 Cb -0.03 -1.11 -0.08 0.00 -0.52 0.00 0.00 37.83 36.09 1ajk s LYS 177 CO 0.08 0.28 0.82 -1.17 -0.92 0.00 0.00 175.35 174.45 1ajk s LEU 178 N -1.21 4.58 -0.19 3.17 2.96 0.11 -0.84 118.68 127.27 1ajk s LEU 178 Ca 0.03 1.70 -0.01 0.00 -0.22 0.00 0.00 54.13 55.64 1ajk s LEU 178 Cb -0.08 -3.38 0.05 0.00 0.50 0.00 0.00 46.19 43.28 1ajk s LEU 178 CO 0.02 0.16 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.42 1ajk s LYS 179 N -0.94 1.32 -0.11 1.98 2.20 0.94 -1.44 119.74 123.70 1ajk s LYS 179 Ca 0.38 -0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 55.27 1ajk s LYS 179 Cb -0.23 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1ajk s LYS 179 CO 0.27 -0.51 0.27 -0.51 -0.36 0.00 0.00 175.35 174.51 1ajk s LEU 180 N 1.63 4.34 0.16 5.43 1.43 0.21 -1.14 118.68 130.73 1ajk s LEU 180 Ca -0.01 0.59 0.11 0.00 -1.03 0.00 0.00 54.13 53.79 1ajk s LEU 180 Cb -0.16 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1ajk s LEU 180 CO -0.07 0.25 -0.24 -0.83 0.23 0.00 0.00 176.35 175.69 1ajk s GLY 181 N -0.37 1.58 -0.19 -3.19 0.00 -0.13 -1.18 107.32 103.84 1ajk s GLY 181 Ca 0.17 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1ajk s GLY 181 CO 0.06 -1.55 -0.08 -2.27 0.00 0.00 0.00 173.10 169.26 1ajk s LEU 182 N -2.42 2.14 0.00 0.66 2.96 0.24 -3.91 118.68 118.35 1ajk s LEU 182 Ca 0.17 -0.87 0.02 0.00 -0.22 0.00 0.00 54.13 53.23 1ajk s LEU 182 Cb -0.08 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 1ajk s LEU 182 CO 0.08 -0.17 0.08 0.35 -1.32 0.00 0.00 176.35 175.37 1ajk n THR 183 N 4.73 0.00 0.03 3.68 -2.24 -0.55 -1.95 114.28 117.98 1ajk n THR 183 Ca -0.14 -2.30 -0.01 0.00 -2.27 0.00 0.00 64.05 59.33 1ajk n THR 183 Cb 0.47 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1ajk n THR 183 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ajk n SER 184 N -1.43 1.12 0.00 3.42 2.88 -1.26 -0.79 113.62 117.56 1ajk n SER 184 Ca -0.12 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ajk n SER 184 Cb 0.60 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1ajk n SER 184 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ajk n SER 185 N -3.56 0.00 0.00 -3.46 7.64 -1.26 -4.38 113.62 108.61 1ajk n SER 185 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ajk n SER 185 Cb 0.08 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1ajk n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ajk n ALA 186 N 0.78 0.00 -2.12 -0.43 0.00 -1.26 -5.05 120.51 112.43 1ajk n ALA 186 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ajk n ALA 186 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ajk n ALA 186 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ajk s TYR 187 N -2.00 2.99 -1.66 0.00 6.14 -1.26 -2.74 117.35 118.82 1ajk s TYR 187 Ca 0.00 0.78 -0.15 0.00 0.64 0.00 0.00 57.07 58.34 1ajk s TYR 187 Cb 0.00 -3.75 0.13 0.00 0.42 0.00 0.00 41.96 38.76 1ajk s TYR 187 CO 0.00 -2.74 0.67 -1.71 0.64 0.00 0.00 175.55 172.41 1ajk n ASN 188 N 4.59 -2.49 -3.84 4.32 5.15 -1.26 -4.95 115.26 116.77 1ajk n ASN 188 Ca 0.13 -1.04 -0.30 0.00 -0.60 0.00 0.00 54.58 52.77 1ajk n ASN 188 Cb 0.42 -2.66 -0.16 0.00 -0.53 0.00 0.00 39.78 36.85 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 -6.92 1.15 0.05 1.20 -0.14 -1.11 -5.11 119.74 108.86 1ajk s LYS 189 Ca 0.59 -0.92 0.07 0.00 -1.36 0.00 0.00 55.97 54.35 1ajk s LYS 189 Cb -0.32 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 1ajk s LYS 189 CO 0.93 -0.72 -0.17 -0.06 -0.76 0.00 0.00 175.35 174.57 1ajk s PHE 190 N 1.53 2.59 -0.11 3.18 0.40 -1.26 -4.34 117.98 119.97 1ajk s PHE 190 Ca 0.00 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1ajk s PHE 190 Cb -0.18 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 1ajk s PHE 190 CO -0.11 0.29 -0.19 -0.51 0.70 0.00 0.00 175.22 175.40 1ajk s ASP 191 N -1.57 3.52 0.00 1.36 1.01 0.03 -1.69 116.67 119.33 1ajk s ASP 191 Ca 0.16 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1ajk s ASP 191 Cb -0.11 -1.41 0.00 0.00 1.01 0.00 0.00 42.92 42.41 1ajk s ASP 191 CO 0.06 0.18 0.00 0.00 0.21 0.00 0.00 175.17 175.62 1ajk s ALA 193 N -2.00 -0.72 -0.08 0.00 0.00 -1.00 -1.69 121.76 116.27 1ajk s ALA 193 Ca 0.00 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 1ajk s ALA 193 Cb 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1ajk s ALA 193 CO 0.00 -0.17 0.20 -2.00 0.00 0.00 0.00 175.76 173.80 1ajk s GLU 194 N -0.20 0.20 -0.10 0.00 2.12 -1.26 -1.33 118.70 118.14 1ajk s GLU 194 Ca -0.03 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.68 1ajk s GLU 194 Cb -0.03 0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.37 1ajk s GLU 194 CO 0.01 -0.09 -0.15 -0.47 -0.54 0.00 0.00 175.26 174.02 1ajk s TYR 195 N 0.60 1.92 0.02 5.30 5.04 -0.44 -0.73 117.35 129.06 1ajk s TYR 195 Ca -0.04 -0.86 0.02 0.00 -2.44 0.00 0.00 57.07 53.74 1ajk s TYR 195 Cb -0.05 -1.38 -0.01 0.00 0.35 0.00 0.00 41.96 40.86 1ajk s TYR 195 CO -0.03 -0.44 -0.06 -0.98 -1.34 0.00 0.00 175.55 172.70 1ajk s ARG 196 N 0.89 0.43 0.64 4.97 1.70 -0.70 -1.62 118.95 125.25 1ajk s ARG 196 Ca -0.09 -0.46 -0.16 0.00 -0.47 0.00 0.00 55.73 54.55 1ajk s ARG 196 Cb -0.15 -0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 33.93 1ajk s ARG 196 CO 0.00 0.06 1.14 -1.54 -1.08 0.00 0.00 175.30 173.89 1ajk s SER 197 N -0.86 5.12 0.11 -2.89 1.04 0.16 -0.11 113.70 116.27 1ajk s SER 197 Ca -0.05 2.14 0.18 0.00 0.48 0.00 0.00 55.95 58.70 1ajk s SER 197 Cb -0.06 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 1ajk s SER 197 CO 0.00 -1.63 0.91 0.71 0.98 0.00 0.00 173.24 174.21 1ajk h THR 198 N 0.35 0.38 -2.02 2.02 1.35 -1.30 -3.44 112.91 110.25 1ajk h THR 198 Ca -0.48 -1.75 -0.44 0.00 -0.55 0.00 0.00 66.41 63.19 1ajk h THR 198 Cb 1.26 1.91 0.02 0.00 -1.73 0.00 0.00 68.15 69.62 1ajk h THR 198 CO 0.54 0.22 -0.20 0.20 -0.25 0.00 0.00 175.52 176.03 1ajk s ASN 199 N -5.71 5.70 0.02 5.36 -0.87 -1.26 -5.07 114.94 113.11 1ajk s ASN 199 Ca -0.02 -0.13 0.08 0.00 -1.57 0.00 0.00 52.86 51.22 1ajk s ASN 199 Cb 0.09 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.25 40.26 1ajk s ASN 199 CO 0.80 -0.74 -0.23 0.27 -2.57 0.00 0.00 177.10 174.63 1ajk s ILE 200 N -2.43 2.40 0.10 0.60 -4.36 -1.26 -4.44 121.20 111.81 1ajk s ILE 200 Ca 0.51 -1.22 0.08 0.00 -0.26 0.00 0.00 60.65 59.76 1ajk s ILE 200 Cb -0.10 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1ajk s ILE 200 CO 0.35 0.42 -0.21 -0.31 0.24 0.00 0.00 174.94 175.42 1ajk s TYR 201 N -0.80 1.81 0.00 1.37 2.02 0.53 -4.88 117.35 117.40 1ajk s TYR 201 Ca 0.12 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1ajk s TYR 201 Cb -0.10 -0.99 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 1ajk s TYR 201 CO 0.02 0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.63 1ajk n GLY 202 N 1.06 3.98 3.66 0.71 0.00 -1.26 -1.82 105.19 111.52 1ajk n GLY 202 Ca -0.19 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 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 1.16 -0.96 1.61 4.01 -1.26 -4.89 117.16 116.83 1ajk n TYR 203 Ca 0.00 0.41 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1ajk n TYR 203 Cb 0.00 -2.16 0.00 0.00 -0.31 0.00 0.00 39.34 36.87 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 1.06 0.33 3.66 2.72 0.00 0.29 -3.17 105.19 110.08 1ajk n GLY 204 Ca 0.14 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 3.96 -0.15 0.99 2.96 -0.66 -0.89 118.68 124.88 1ajk s LEU 205 Ca 0.00 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1ajk s LEU 205 Cb 0.00 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1ajk s LEU 205 CO 0.00 0.15 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.82 1ajk s TYR 206 N 0.54 2.99 0.03 5.38 1.51 -0.10 -0.49 117.35 127.21 1ajk s TYR 206 Ca 0.05 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1ajk s TYR 206 Cb -0.12 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1ajk s TYR 206 CO 0.00 -0.08 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.05 1ajk s GLU 207 N 0.41 0.70 -0.03 -0.62 2.02 0.47 -1.10 118.70 120.56 1ajk s GLU 207 Ca -0.05 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 1ajk s GLU 207 Cb -0.14 -0.63 0.01 0.00 0.10 0.00 0.00 34.13 33.46 1ajk s GLU 207 CO 0.03 0.15 0.07 0.54 0.02 0.00 0.00 175.26 176.08 1ajk s VAL 208 N -0.87 0.00 -0.27 2.63 0.11 -0.02 -0.66 120.40 121.33 1ajk s VAL 208 Ca -0.02 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1ajk s VAL 208 Cb -0.07 -0.12 -0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1ajk s VAL 208 CO 0.01 -0.02 0.05 -0.55 -3.33 0.00 0.00 175.10 171.26 1ajk s SER 209 N -0.03 4.94 0.31 3.54 0.15 -0.65 -0.63 113.70 121.33 1ajk s SER 209 Ca -0.01 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 1ajk s SER 209 Cb -0.01 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1ajk s SER 209 CO 0.00 -0.12 0.51 0.00 1.20 0.00 0.00 173.24 174.83 1ajk s MET 210 N 1.52 1.80 -0.24 5.44 0.23 -0.95 -0.63 119.30 126.47 1ajk s MET 210 Ca 0.04 -1.52 -0.03 0.00 -1.03 0.00 0.00 55.69 53.15 1ajk s MET 210 Cb -0.16 0.47 0.12 0.00 -1.53 0.00 0.00 34.83 33.73 1ajk s MET 210 CO 0.01 -0.76 0.31 0.21 -2.03 0.00 0.00 175.02 172.76 1ajk s LYS 211 N -3.34 0.29 1.04 3.16 2.20 0.12 -2.81 119.74 120.40 1ajk s LYS 211 Ca 0.26 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 56.02 1ajk s LYS 211 Cb -0.01 -0.78 0.21 0.00 -1.51 0.00 0.00 37.83 35.74 1ajk s LYS 211 CO 0.15 -0.73 1.07 -1.25 -0.36 0.00 0.00 175.35 174.22 1ajk s PRO 212 N 2.43 0.06 0.43 4.03 0.04 -1.26 -1.48 135.00 139.25 1ajk s PRO 212 Ca 0.10 0.75 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 1ajk s PRO 212 Cb -0.15 -1.68 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 1ajk s PRO 212 CO -0.18 -3.04 0.93 0.00 0.04 0.00 0.00 177.00 174.75 1ajk s ALA 213 N -2.75 3.07 0.00 8.56 0.00 -1.24 -4.43 121.76 124.98 1ajk s ALA 213 Ca 0.66 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1ajk s ALA 213 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1ajk s ALA 213 CO 0.60 0.11 0.00 1.17 0.00 0.00 0.00 175.76 177.64