#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8h s LYS 3 N 0.00 0.65 -0.24 5.55 2.20 -1.26 -5.06 119.74 121.58 1j8h s LYS 3 Ca 0.00 -0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.18 1j8h s LYS 3 Cb 0.00 -0.61 0.00 0.00 -1.51 0.00 0.00 37.83 35.71 1j8h s LYS 3 CO 0.00 0.16 -0.03 0.08 -0.36 0.00 0.00 175.35 175.20 1j8h s VAL 4 N -0.40 3.34 -0.13 4.02 1.01 -1.26 -4.23 120.40 122.74 1j8h s VAL 4 Ca 0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1j8h s VAL 4 Cb -0.04 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1j8h s VAL 4 CO -0.00 0.31 -0.08 0.42 0.00 0.00 0.00 175.10 175.75 1j8h s THR 5 N 1.44 3.57 -0.12 3.92 -4.23 -0.41 -4.11 115.64 115.70 1j8h s THR 5 Ca 0.04 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 1j8h s THR 5 Cb -0.15 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1j8h s THR 5 CO -0.03 0.53 0.08 -1.10 -0.54 0.00 0.00 174.62 173.56 1j8h s GLN 6 N 0.11 3.35 0.00 3.99 -0.21 -1.26 -1.57 119.66 124.06 1j8h s GLN 6 Ca -0.03 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1j8h s GLN 6 Cb -0.14 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.82 1j8h s GLN 6 CO 0.03 0.68 0.99 -1.13 -2.12 0.00 0.00 175.29 173.75 1j8h n SER 7 N 2.26 0.00 -4.53 5.90 3.41 -1.12 -4.73 113.62 114.81 1j8h n SER 7 Ca -0.19 0.99 -0.27 0.00 -0.26 0.00 0.00 58.87 59.14 1j8h n SER 7 Cb 0.54 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1j8h n SER 7 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j8h s SER 8 N -2.91 4.03 -0.03 4.04 1.04 -1.26 -5.02 113.70 113.59 1j8h s SER 8 Ca 0.00 -0.63 0.09 0.00 0.48 0.00 0.00 55.95 55.89 1j8h s SER 8 Cb 0.00 -0.60 -0.23 0.00 0.10 0.00 0.00 66.02 65.29 1j8h s SER 8 CO 0.00 0.12 0.72 0.03 0.98 0.00 0.00 173.24 175.09 1j8h h ARG 9 N 3.11 0.04 -3.92 4.02 3.08 -1.85 -3.40 114.38 115.47 1j8h h ARG 9 Ca -0.47 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.36 1j8h h ARG 9 Cb 1.20 0.03 -0.19 0.00 0.08 0.00 0.00 29.97 31.09 1j8h h ARG 9 CO 0.52 0.66 -0.62 0.71 -1.07 0.00 0.00 179.97 180.17 1j8h s TYR 10 N -2.61 0.26 -0.16 3.04 1.51 -1.26 -0.99 117.35 117.15 1j8h s TYR 10 Ca -0.06 -0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 55.23 1j8h s TYR 10 Cb 0.08 -0.19 0.05 0.00 -0.11 0.00 0.00 41.96 41.79 1j8h s TYR 10 CO 0.82 -0.29 0.53 -0.51 -1.11 0.00 0.00 175.55 174.99 1j8h s LEU 11 N -1.91 -0.03 -0.08 -1.29 1.43 -0.18 -4.94 118.68 111.69 1j8h s LEU 11 Ca -0.09 0.90 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1j8h s LEU 11 Cb -0.04 1.87 -0.00 0.00 0.03 0.00 0.00 46.19 48.05 1j8h s LEU 11 CO -0.03 -0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 175.36 1j8h s VAL 12 N -0.14 1.86 0.04 -1.59 1.01 -1.26 -1.85 120.40 118.47 1j8h s VAL 12 Ca -0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1j8h s VAL 12 Cb -0.03 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1j8h s VAL 12 CO 0.03 0.52 0.02 -0.54 0.00 0.00 0.00 175.10 175.12 1j8h s LYS 13 N 0.27 0.52 0.16 2.72 -0.14 -0.89 -4.90 119.74 117.47 1j8h s LYS 13 Ca -0.14 -0.86 -0.09 0.00 -1.36 0.00 0.00 55.97 53.52 1j8h s LYS 13 Cb -0.16 0.19 -0.06 0.00 -1.68 0.00 0.00 37.83 36.11 1j8h s LYS 13 CO 0.07 -0.11 0.46 0.50 -0.76 0.00 0.00 175.35 175.51 1j8h s ARG 14 N -2.69 3.76 0.86 1.68 3.52 -1.25 -0.50 118.95 124.33 1j8h s ARG 14 Ca -0.04 0.17 -0.14 0.00 -0.13 0.00 0.00 55.73 55.58 1j8h s ARG 14 Cb -0.01 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1j8h s ARG 14 CO -0.05 0.44 0.37 2.41 -0.81 0.00 0.00 175.30 177.65 1j8h n THR 15 N 0.30 0.69 0.00 4.11 -1.04 -0.38 -2.18 114.28 115.77 1j8h n THR 15 Ca -0.03 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1j8h n THR 15 Cb 0.52 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1j8h n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j8h n GLY 16 N 1.70 1.92 3.77 3.41 0.00 0.81 -4.87 105.19 111.94 1j8h n GLY 16 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1j8h n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j8h s GLU 17 N 0.00 2.47 -0.31 1.61 2.56 -0.93 -4.33 118.70 119.76 1j8h s GLU 17 Ca 0.00 1.25 -0.13 0.00 0.00 0.00 0.00 54.97 56.10 1j8h s GLU 17 Cb 0.00 -1.92 -0.03 0.00 2.00 0.00 0.00 34.13 34.18 1j8h s GLU 17 CO 0.00 -1.49 0.25 0.21 -0.56 0.00 0.00 175.26 173.67 1j8h s LYS 18 N -4.59 3.71 -0.05 4.30 2.20 -1.25 -0.53 119.74 123.53 1j8h s LYS 18 Ca 0.63 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1j8h s LYS 18 Cb -0.18 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1j8h s LYS 18 CO 0.50 -0.35 -0.07 0.08 -0.36 0.00 0.00 175.35 175.16 1j8h s VAL 19 N 1.80 3.66 -0.17 4.02 1.01 -0.20 -4.97 120.40 125.55 1j8h s VAL 19 Ca 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1j8h s VAL 19 Cb -0.17 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1j8h s VAL 19 CO 0.11 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.24 1j8h s PHE 20 N -0.84 2.79 -0.20 5.22 0.40 -1.26 -0.77 117.98 123.31 1j8h s PHE 20 Ca 0.13 -1.34 -0.04 0.00 -0.60 0.00 0.00 56.93 55.08 1j8h s PHE 20 Cb -0.11 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1j8h s PHE 20 CO 0.02 -0.65 -0.02 -0.51 0.70 0.00 0.00 175.22 174.76 1j8h s LEU 21 N 1.13 3.10 0.15 -0.37 1.02 -0.14 -4.99 118.68 118.58 1j8h s LEU 21 Ca 0.01 -0.28 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 1j8h s LEU 21 Cb -0.14 -1.78 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 1j8h s LEU 21 CO -0.06 0.04 0.35 -1.61 0.02 0.00 0.00 176.35 175.09 1j8h s GLU 22 N 1.13 3.56 -0.12 1.70 0.41 -1.26 -0.86 118.70 123.27 1j8h s GLU 22 Ca 0.02 -0.21 -0.05 0.00 -0.41 0.00 0.00 54.97 54.32 1j8h s GLU 22 Cb -0.15 -2.87 0.06 0.00 -1.78 0.00 0.00 34.13 29.39 1j8h s GLU 22 CO 0.00 0.47 0.27 0.00 -0.49 0.00 0.00 175.26 175.52 1j8h s VAL 24 N 1.78 0.17 0.01 0.00 1.01 -0.61 -0.84 120.40 121.92 1j8h s VAL 24 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1j8h s VAL 24 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1j8h s VAL 24 CO -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 175.10 174.97 1j8h s GLN 25 N -0.20 0.26 -0.34 2.72 1.03 0.16 -1.29 119.66 122.00 1j8h s GLN 25 Ca -0.01 -0.29 0.07 0.00 0.04 0.00 0.00 55.36 55.17 1j8h s GLN 25 Cb -0.02 -0.14 0.51 0.00 0.03 0.00 0.00 33.01 33.39 1j8h s GLN 25 CO -0.00 0.03 1.52 -3.47 -2.54 0.00 0.00 175.29 170.83 1j8h n ASP 26 N 2.49 3.34 -0.76 12.60 4.64 -1.26 -4.47 116.55 133.13 1j8h n ASP 26 Ca -0.16 -3.78 0.07 0.00 -1.38 0.00 0.00 54.79 49.54 1j8h n ASP 26 Cb 0.58 -0.65 0.15 0.00 -1.04 0.00 0.00 41.12 40.16 1j8h n ASP 26 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 1j8h n MET 27 N -1.06 2.22 -3.26 -0.67 2.81 -1.26 -4.96 117.12 110.95 1j8h n MET 27 Ca 0.40 -1.94 -0.22 0.00 -1.81 0.00 0.00 57.70 54.12 1j8h n MET 27 Cb 1.05 -1.33 0.06 0.00 -0.71 0.00 0.00 33.22 32.28 1j8h n MET 27 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1j8h n ASP 28 N 0.85 -6.04 -4.75 7.83 4.64 -1.26 -4.96 116.55 112.85 1j8h n ASP 28 Ca 0.13 -0.39 -0.40 0.00 -1.38 0.00 0.00 54.79 52.75 1j8h n ASP 28 Cb 0.45 -4.76 -0.05 0.00 -1.04 0.00 0.00 41.12 35.71 1j8h n ASP 28 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 1j8h s HIS 29 N -3.23 3.85 0.06 -0.67 3.76 -1.26 -4.96 115.29 112.84 1j8h s HIS 29 Ca 0.42 1.84 0.09 0.00 -0.15 0.00 0.00 55.06 57.27 1j8h s HIS 29 Cb -0.19 -3.08 -0.18 0.00 1.11 0.00 0.00 32.58 30.24 1j8h s HIS 29 CO 0.52 0.13 1.17 0.93 -0.85 0.00 0.00 174.74 176.64 1j8h h GLU 30 N 4.14 0.00 -5.33 1.40 3.07 -1.86 -3.46 114.58 112.54 1j8h h GLU 30 Ca -0.45 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 57.78 1j8h h GLU 30 Cb 1.20 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.94 1j8h h GLU 30 CO 0.68 0.84 -0.60 -0.80 -1.40 0.00 0.00 179.01 177.72 1j8h s ASN 31 N -6.55 5.33 0.00 1.42 0.01 0.89 -3.21 114.94 112.83 1j8h s ASN 31 Ca 0.00 0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1j8h s ASN 31 Cb 0.09 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 1j8h s ASN 31 CO 0.81 0.19 -0.05 -0.04 -1.51 0.00 0.00 177.10 176.50 1j8h s MET 32 N 0.27 0.40 0.09 -0.60 -1.94 -0.59 -0.20 119.30 116.72 1j8h s MET 32 Ca 0.01 -0.23 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1j8h s MET 32 Cb -0.13 -0.36 -0.04 0.00 2.01 0.00 0.00 34.83 36.31 1j8h s MET 32 CO 0.01 0.09 -0.07 -0.06 -0.01 0.00 0.00 175.02 174.99 1j8h s PHE 33 N -0.25 0.86 -0.11 -0.03 0.40 0.59 -0.92 117.98 118.53 1j8h s PHE 33 Ca 0.00 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.51 1j8h s PHE 33 Cb -0.03 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 43.02 1j8h s PHE 33 CO -0.00 -0.14 -0.16 -1.58 0.70 0.00 0.00 175.22 174.04 1j8h s TRP 34 N -3.25 2.01 0.14 0.36 0.52 -0.25 -1.68 118.94 116.78 1j8h s TRP 34 Ca 0.08 -0.93 0.06 0.00 0.02 0.00 0.00 56.10 55.34 1j8h s TRP 34 Cb 0.03 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.87 1j8h s TRP 34 CO -0.04 -0.46 -0.14 0.71 0.02 0.00 0.00 176.95 177.03 1j8h s TYR 35 N 0.91 1.47 0.02 -1.98 1.51 0.21 -0.55 117.35 118.94 1j8h s TYR 35 Ca -0.08 -0.56 0.08 0.00 -1.01 0.00 0.00 57.07 55.50 1j8h s TYR 35 Cb -0.15 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1j8h s TYR 35 CO -0.00 0.18 -0.25 -0.98 -1.11 0.00 0.00 175.55 173.39 1j8h s ARG 36 N -2.83 1.97 -0.16 -0.62 1.70 -0.61 0.26 118.95 118.66 1j8h s ARG 36 Ca 0.11 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 1j8h s ARG 36 Cb -0.04 -2.04 -0.00 0.00 -0.57 0.00 0.00 34.95 32.29 1j8h s ARG 36 CO 0.04 0.54 -0.15 -1.14 -1.08 0.00 0.00 175.30 173.51 1j8h s GLN 37 N -1.02 3.23 0.00 3.89 0.74 0.21 -1.87 119.66 124.84 1j8h s GLN 37 Ca 0.11 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.79 1j8h s GLN 37 Cb -0.10 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.36 1j8h s GLN 37 CO 0.01 0.01 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.22 1j8h s ASP 38 N 0.83 0.42 -0.08 6.67 1.11 -1.08 -3.15 116.67 121.40 1j8h s ASP 38 Ca -0.05 -0.15 -0.38 0.00 0.18 0.00 0.00 52.55 52.15 1j8h s ASP 38 Cb -0.15 -0.02 -0.15 0.00 1.07 0.00 0.00 42.92 43.66 1j8h s ASP 38 CO -0.00 -0.02 1.59 -2.65 1.18 0.00 0.00 175.17 175.27 1j8h n PRO 39 N 2.70 1.35 -0.99 8.23 -0.02 -1.26 -1.13 135.00 143.89 1j8h n PRO 39 Ca -0.15 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1j8h n PRO 39 Cb 0.58 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1j8h n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j8h n GLY 40 N 3.51 0.84 0.00 -1.23 0.00 -1.26 -4.79 105.19 102.26 1j8h n GLY 40 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1j8h n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8h n LEU 41 N 0.00 0.16 0.00 0.99 4.77 -0.28 -5.12 117.00 117.52 1j8h n LEU 41 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1j8h n LEU 41 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1j8h n LEU 41 CO 0.00 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1j8h n GLY 42 N 0.49 2.26 3.37 -0.72 0.00 -0.99 -4.53 105.19 105.08 1j8h n GLY 42 Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1j8h n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8h s LEU 43 N 0.00 3.18 -0.14 0.99 1.02 -1.26 -2.62 118.68 119.85 1j8h s LEU 43 Ca 0.00 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 53.80 1j8h s LEU 43 Cb 0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.36 1j8h s LEU 43 CO 0.00 -0.04 -0.07 -0.13 0.02 0.00 0.00 176.35 176.13 1j8h s ARG 44 N 1.54 3.51 -0.28 1.70 0.52 -0.78 -4.94 118.95 120.21 1j8h s ARG 44 Ca 0.06 -0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.40 1j8h s ARG 44 Cb -0.15 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 1j8h s ARG 44 CO -0.00 0.26 1.42 -1.17 0.02 0.00 0.00 175.30 175.83 1j8h s LEU 45 N 0.28 3.86 -0.15 2.53 2.96 -1.26 -1.57 118.68 125.33 1j8h s LEU 45 Ca -0.06 1.32 -0.17 0.00 -0.22 0.00 0.00 54.13 55.01 1j8h s LEU 45 Cb -0.15 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 1j8h s LEU 45 CO 0.04 -1.17 0.29 0.40 -1.32 0.00 0.00 176.35 174.59 1j8h h ILE 46 N 6.07 0.84 -3.08 6.68 2.04 -1.09 0.25 117.51 129.23 1j8h h ILE 46 Ca -0.29 -1.75 -0.06 0.00 1.00 0.00 0.00 64.86 63.77 1j8h h ILE 46 Cb 1.12 1.71 -0.15 0.00 -0.74 0.00 0.00 36.82 38.76 1j8h h ILE 46 CO 1.03 0.29 -0.01 -0.31 0.00 0.00 0.00 178.15 179.14 1j8h s TYR 47 N -2.08 -0.33 0.14 1.37 1.51 -1.20 -1.25 117.35 115.51 1j8h s TYR 47 Ca -0.16 0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 1j8h s TYR 47 Cb 0.01 0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 42.16 1j8h s TYR 47 CO 0.41 -0.67 0.25 -0.59 -1.11 0.00 0.00 175.55 173.84 1j8h s PHE 48 N -3.10 0.35 -0.08 2.71 -0.12 -0.73 -1.09 117.98 115.93 1j8h s PHE 48 Ca -0.02 -0.73 -0.06 0.00 -0.05 0.00 0.00 56.93 56.07 1j8h s PHE 48 Cb 0.00 -0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1j8h s PHE 48 CO -0.07 -0.67 0.20 0.45 -0.05 0.00 0.00 175.22 175.09 1j8h s SER 49 N -2.94 -0.21 0.00 1.98 0.15 -0.10 -1.30 113.70 111.28 1j8h s SER 49 Ca 0.14 0.41 0.09 0.00 0.70 0.00 0.00 55.95 57.29 1j8h s SER 49 Cb 0.04 0.39 0.13 0.00 -1.71 0.00 0.00 66.02 64.87 1j8h s SER 49 CO -0.03 -0.09 0.92 -1.22 1.20 0.00 0.00 173.24 174.03 1j8h n TYR 50 N 3.21 0.12 -3.66 3.44 0.53 -1.26 -1.55 117.16 117.99 1j8h n TYR 50 Ca -0.15 -0.16 -0.01 0.00 -1.02 0.00 0.00 57.90 56.56 1j8h n TYR 50 Cb 0.57 -0.01 -0.01 0.00 -1.03 0.00 0.00 39.34 38.87 1j8h n TYR 50 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1j8h s ASP 51 N -0.83 -0.11 0.37 7.72 3.68 -1.20 -4.53 116.67 121.77 1j8h s ASP 51 Ca 0.13 -0.21 -0.28 0.00 2.13 0.00 0.00 52.55 54.32 1j8h s ASP 51 Cb 0.08 0.28 -0.11 0.00 -1.45 0.00 0.00 42.92 41.72 1j8h s ASP 51 CO 0.12 -0.51 1.41 0.52 0.13 0.00 0.00 175.17 176.84 1j8h n VAL 52 N -0.46 2.08 -0.67 1.11 0.31 -1.26 -1.65 118.33 117.79 1j8h n VAL 52 Ca -0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1j8h n VAL 52 Cb 0.62 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1j8h n VAL 52 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1j8h n LYS 53 N 0.42 -0.08 -3.39 5.55 4.01 0.26 -4.97 118.16 119.95 1j8h n LYS 53 Ca 0.03 0.02 -0.37 0.00 -0.51 0.00 0.00 58.31 57.47 1j8h n LYS 53 Cb 0.38 -3.92 -0.06 0.00 -0.51 0.00 0.00 35.03 30.92 1j8h n LYS 53 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1j8h s MET 54 N -0.73 4.30 -0.05 1.97 1.75 -0.66 -4.95 119.30 120.93 1j8h s MET 54 Ca 0.00 0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.77 1j8h s MET 54 Cb 0.00 -3.44 0.02 0.00 2.84 0.00 0.00 34.83 34.24 1j8h s MET 54 CO 0.00 0.17 -0.09 0.15 -0.65 0.00 0.00 175.02 174.60 1j8h s LYS 55 N 0.64 1.28 -0.07 4.11 1.02 -1.26 -4.44 119.74 121.02 1j8h s LYS 55 Ca 0.22 -0.29 -0.00 0.00 0.02 0.00 0.00 55.97 55.93 1j8h s LYS 55 Cb -0.14 -1.13 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 1j8h s LYS 55 CO 0.08 0.00 -0.03 -1.21 -0.92 0.00 0.00 175.35 173.27 1j8h s GLU 56 N 0.69 0.87 0.25 1.68 0.41 -0.42 -5.02 118.70 117.16 1j8h s GLU 56 Ca -0.12 -0.05 -0.30 0.00 -0.41 0.00 0.00 54.97 54.09 1j8h s GLU 56 Cb -0.14 -1.02 -0.11 0.00 -1.78 0.00 0.00 34.13 31.08 1j8h s GLU 56 CO 0.02 -0.20 1.51 0.15 -0.49 0.00 0.00 175.26 176.25 1j8h s LYS 57 N 1.46 4.21 0.00 1.61 1.02 -1.26 -1.78 119.74 125.01 1j8h s LYS 57 Ca -0.02 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.37 1j8h s LYS 57 Cb -0.13 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1j8h s LYS 57 CO -0.03 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 1j8h n GLY 58 N 2.36 1.25 0.14 -3.33 0.00 -0.38 -4.85 105.19 100.38 1j8h n GLY 58 Ca 0.08 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.63 1j8h n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j8h h ASP 59 N 0.00 0.00 -2.05 1.61 3.32 -0.71 -3.40 116.42 115.19 1j8h h ASP 59 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1j8h h ASP 59 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 1j8h h ASP 59 CO 0.00 0.01 -1.01 2.30 -1.72 0.00 0.00 179.24 178.82 1j8h n ILE 60 N -2.78 0.15 0.17 0.35 -5.35 -1.05 -4.95 119.36 105.91 1j8h n ILE 60 Ca 0.01 -4.43 0.05 0.00 -0.27 0.00 0.00 62.75 58.10 1j8h n ILE 60 Cb 0.55 -1.59 0.20 0.00 -1.74 0.00 0.00 39.64 37.07 1j8h n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1j8h h PRO 61 N 3.75 0.00 -6.23 6.28 0.14 -1.78 -3.43 132.00 130.74 1j8h h PRO 61 Ca 0.10 0.00 -0.70 0.00 0.14 0.00 0.00 66.00 65.54 1j8h h PRO 61 Cb 0.84 0.00 0.04 0.00 0.14 0.00 0.00 31.00 32.02 1j8h h PRO 61 CO 0.55 0.42 0.65 0.39 0.14 0.00 0.00 178.00 180.16 1j8h n GLU 62 N -3.37 1.20 -0.01 0.86 4.71 -1.26 -0.82 120.64 121.94 1j8h n GLU 62 Ca 0.01 0.43 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 1j8h n GLU 62 Cb 0.61 -2.10 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1j8h n GLU 62 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j8h n GLY 63 N 3.24 1.29 3.61 0.62 0.00 -1.26 -5.03 105.19 107.66 1j8h n GLY 63 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1j8h n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j8h s TYR 65 N -2.45 2.13 0.07 1.61 1.51 -0.00 -3.81 117.35 116.41 1j8h s TYR 65 Ca 0.00 -0.89 -0.26 0.00 -1.01 0.00 0.00 57.07 54.91 1j8h s TYR 65 Cb 0.00 -1.54 0.08 0.00 -0.11 0.00 0.00 41.96 40.39 1j8h s TYR 65 CO 0.00 0.20 0.71 0.45 -1.11 0.00 0.00 175.55 175.80 1j8h s SER 66 N -3.69 -0.51 0.23 2.29 0.15 -0.22 -4.95 113.70 106.99 1j8h s SER 66 Ca 0.26 0.11 0.03 0.00 0.70 0.00 0.00 55.95 57.05 1j8h s SER 66 Cb 0.07 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.88 1j8h s SER 66 CO 0.13 -0.80 0.09 1.33 1.20 0.00 0.00 173.24 175.20 1j8h n VAL 67 N -0.13 0.00 -3.64 4.45 0.24 -1.26 0.68 118.33 118.67 1j8h n VAL 67 Ca -0.15 -1.36 -0.07 0.00 -2.04 0.00 0.00 64.34 60.72 1j8h n VAL 67 Cb 0.63 0.52 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 1j8h n VAL 67 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1j8h s SER 68 N -2.42 -0.94 -0.48 -1.34 0.15 -0.72 -4.92 113.70 103.03 1j8h s SER 68 Ca 0.13 1.49 0.05 0.00 0.70 0.00 0.00 55.95 58.32 1j8h s SER 68 Cb 0.01 1.43 0.18 0.00 -1.71 0.00 0.00 66.02 65.92 1j8h s SER 68 CO 0.09 -0.24 0.39 -1.14 1.20 0.00 0.00 173.24 173.55 1j8h n ARG 69 N 4.41 0.62 0.04 5.44 3.00 -1.26 -1.51 116.66 127.40 1j8h n ARG 69 Ca -0.20 -3.49 -0.17 0.00 -0.00 0.00 0.00 57.85 54.00 1j8h n ARG 69 Cb 0.58 -1.79 -0.14 0.00 0.00 0.00 0.00 32.46 31.11 1j8h n ARG 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1j8h h GLU 70 N 5.44 0.22 -6.74 -0.14 5.08 -1.96 0.74 114.58 117.22 1j8h h GLU 70 Ca 0.23 -0.38 -0.69 0.00 -1.00 0.00 0.00 59.36 57.52 1j8h h GLU 70 Cb 0.87 0.14 -0.24 0.00 0.50 0.00 0.00 28.75 30.02 1j8h h GLU 70 CO 0.46 1.05 -0.85 0.15 -1.00 0.00 0.00 179.01 178.81 1j8h s LYS 71 N -2.60 1.77 0.34 2.33 1.02 -1.26 -4.71 119.74 116.63 1j8h s LYS 71 Ca -0.12 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 54.78 1j8h s LYS 71 Cb 0.07 -2.02 0.68 0.00 -0.52 0.00 0.00 37.83 36.04 1j8h s LYS 71 CO 0.83 0.50 1.92 -0.22 -0.92 0.00 0.00 175.35 177.46 1j8h h LYS 72 N 4.41 0.81 0.00 1.68 3.64 -1.94 -2.47 116.57 122.70 1j8h h LYS 72 Ca -0.48 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.78 1j8h h LYS 72 Cb 1.15 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1j8h h LYS 72 CO 0.44 0.54 -0.32 1.05 -2.27 0.00 0.00 179.45 178.88 1j8h h GLU 73 N 0.84 0.00 -6.40 1.90 4.11 -1.89 -3.45 114.58 109.69 1j8h h GLU 73 Ca 0.37 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 59.11 1j8h h GLU 73 Cb 0.35 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.32 1j8h h GLU 73 CO -0.14 0.32 -0.84 0.50 0.07 0.00 0.00 179.01 178.92 1j8h s ARG 74 N -3.92 2.34 -0.26 1.06 3.52 -0.93 -0.67 118.95 120.10 1j8h s ARG 74 Ca -0.01 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.73 1j8h s ARG 74 Cb 0.13 -2.20 0.08 0.00 -1.56 0.00 0.00 34.95 31.40 1j8h s ARG 74 CO 0.68 0.55 0.08 0.12 -0.81 0.00 0.00 175.30 175.93 1j8h s PHE 75 N -0.58 1.11 -0.08 5.12 5.36 -0.02 -4.38 117.98 124.52 1j8h s PHE 75 Ca 0.08 -1.20 -0.16 0.00 -0.96 0.00 0.00 56.93 54.70 1j8h s PHE 75 Cb -0.11 -1.26 -0.05 0.00 -0.34 0.00 0.00 43.02 41.26 1j8h s PHE 75 CO 0.00 -0.76 0.40 -1.12 -1.46 0.00 0.00 175.22 172.28 1j8h s SER 76 N 1.83 6.67 -0.15 6.13 0.01 -0.57 -3.15 113.70 124.47 1j8h s SER 76 Ca 0.06 0.80 -0.07 0.00 1.31 0.00 0.00 55.95 58.04 1j8h s SER 76 Cb -0.17 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1j8h s SER 76 CO -0.21 0.15 0.10 -0.22 0.41 0.00 0.00 173.24 173.47 1j8h s LEU 77 N -0.08 4.11 -0.05 2.44 2.96 -0.03 -1.76 118.68 126.26 1j8h s LEU 77 Ca 0.23 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1j8h s LEU 77 Cb -0.15 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1j8h s LEU 77 CO 0.10 0.29 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.65 1j8h s ILE 78 N -0.33 1.24 -0.36 6.68 1.01 0.22 -0.96 121.20 128.70 1j8h s ILE 78 Ca 0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 1j8h s ILE 78 Cb -0.12 -1.09 0.06 0.00 0.01 0.00 0.00 42.46 41.31 1j8h s ILE 78 CO 0.01 0.37 0.14 -0.76 0.00 0.00 0.00 174.94 174.71 1j8h s LEU 79 N 0.31 4.58 0.07 2.97 1.02 0.05 -1.06 118.68 126.63 1j8h s LEU 79 Ca -0.08 -1.33 -0.31 0.00 0.02 0.00 0.00 54.13 52.42 1j8h s LEU 79 Cb -0.13 -1.88 -0.18 0.00 0.02 0.00 0.00 46.19 44.02 1j8h s LEU 79 CO 0.03 -0.39 1.62 -0.33 0.02 0.00 0.00 176.35 177.29 1j8h h GLU 80 N 8.23 -0.76 -2.80 1.70 4.39 -1.85 -0.50 114.58 122.99 1j8h h GLU 80 Ca -0.22 0.05 -0.60 0.00 0.34 0.00 0.00 59.36 58.93 1j8h h GLU 80 Cb 1.08 0.17 -0.40 0.00 -0.10 0.00 0.00 28.75 29.50 1j8h h GLU 80 CO 0.64 -0.50 -0.79 0.45 -1.16 0.00 0.00 179.01 177.66 1j8h s SER 81 N -4.51 3.23 0.12 1.42 0.15 -1.26 -3.77 113.70 109.09 1j8h s SER 81 Ca -0.17 -2.74 -0.35 0.00 0.70 0.00 0.00 55.95 53.39 1j8h s SER 81 Cb 0.04 -0.86 -0.17 0.00 -1.71 0.00 0.00 66.02 63.32 1j8h s SER 81 CO 0.62 -0.24 1.21 0.00 1.20 0.00 0.00 173.24 176.03 1j8h n ALA 82 N 3.36 -1.18 -2.43 5.45 0.00 0.31 -4.50 120.51 121.52 1j8h n ALA 82 Ca 0.14 0.50 -0.23 0.00 0.00 0.00 0.00 53.44 53.85 1j8h n ALA 82 Cb 0.37 -2.01 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 1j8h n ALA 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j8h s SER 83 N 0.16 3.06 0.46 0.00 1.04 -1.26 -0.13 113.70 117.03 1j8h s SER 83 Ca 0.79 -0.95 0.12 0.00 0.48 0.00 0.00 55.95 56.40 1j8h s SER 83 Cb -0.93 -0.21 1.08 0.00 0.10 0.00 0.00 66.02 66.05 1j8h s SER 83 CO 0.51 -0.02 2.08 0.71 0.98 0.00 0.00 173.24 177.50 1j8h h THR 84 N 2.79 1.02 0.00 2.02 1.35 -1.95 -0.33 112.91 117.80 1j8h h THR 84 Ca -0.41 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1j8h h THR 84 Cb 1.23 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1j8h h THR 84 CO 0.56 0.05 0.00 -0.46 -0.25 0.00 0.00 175.52 175.42 1j8h n ASN 85 N -4.50 0.00 -1.03 5.36 0.23 -1.26 -1.21 115.26 112.85 1j8h n ASN 85 Ca 0.02 -0.41 0.10 0.00 -0.53 0.00 0.00 54.58 53.77 1j8h n ASN 85 Cb 0.14 -0.08 0.27 0.00 -2.08 0.00 0.00 39.78 38.02 1j8h n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j8h n GLN 86 N -1.08 2.32 -2.14 -3.83 6.02 -0.13 -4.86 117.38 113.67 1j8h n GLN 86 Ca 0.12 -2.03 -0.42 0.00 -0.01 0.00 0.00 57.00 54.66 1j8h n GLN 86 Cb 0.09 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1j8h n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1j8h s THR 87 N -1.38 3.62 -0.00 5.09 2.01 -0.35 -4.83 115.64 119.79 1j8h s THR 87 Ca 0.38 0.94 -0.19 0.00 0.31 0.00 0.00 61.69 63.14 1j8h s THR 87 Cb 0.21 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 69.17 1j8h s THR 87 CO 0.28 -0.03 0.85 -0.24 -0.69 0.00 0.00 174.62 174.80 1j8h n SER 88 N 5.93 -0.84 -4.43 3.53 2.88 0.48 -4.98 113.62 116.19 1j8h n SER 88 Ca 0.15 -1.20 -0.39 0.00 -1.33 0.00 0.00 58.87 56.10 1j8h n SER 88 Cb 0.43 1.30 -0.12 0.00 -0.75 0.00 0.00 64.21 65.08 1j8h n SER 88 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1j8h s MET 89 N -2.01 3.28 -0.22 -1.46 -2.45 -1.19 -0.77 119.30 114.48 1j8h s MET 89 Ca 0.20 -0.76 -0.11 0.00 -1.25 0.00 0.00 55.69 53.76 1j8h s MET 89 Cb -0.01 -3.58 -0.05 0.00 1.25 0.00 0.00 34.83 32.44 1j8h s MET 89 CO -0.00 -0.45 0.20 0.71 1.05 0.00 0.00 175.02 176.53 1j8h s TYR 90 N 1.61 3.36 -0.12 4.11 1.51 -0.41 0.66 117.35 128.07 1j8h s TYR 90 Ca 0.04 0.34 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1j8h s TYR 90 Cb -0.17 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.38 1j8h s TYR 90 CO 0.06 0.12 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.95 1j8h s LEU 91 N 0.88 2.50 0.05 -1.29 1.43 0.14 -0.71 118.68 121.67 1j8h s LEU 91 Ca 0.10 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1j8h s LEU 91 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1j8h s LEU 91 CO 0.03 0.17 0.14 0.00 0.23 0.00 0.00 176.35 176.92 1j8h s ALA 93 N -1.39 -0.39 0.06 0.00 0.00 -0.68 -0.80 121.76 118.55 1j8h s ALA 93 Ca 0.30 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1j8h s ALA 93 Cb -0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1j8h s ALA 93 CO 0.22 -0.18 -0.05 -1.54 0.00 0.00 0.00 175.76 174.22 1j8h s SER 94 N -0.94 0.74 0.07 0.00 1.04 -0.74 -0.30 113.70 113.57 1j8h s SER 94 Ca -0.10 -0.83 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 1j8h s SER 94 Cb -0.06 0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.27 1j8h s SER 94 CO 0.01 -0.42 1.18 -0.94 0.98 0.00 0.00 173.24 174.05 1j8h s SER 95 N -2.44 -0.00 -0.02 7.02 1.04 0.72 -1.78 113.70 118.24 1j8h s SER 95 Ca 0.01 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1j8h s SER 95 Cb 0.00 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1j8h s SER 95 CO -0.05 -0.59 -0.02 -0.55 0.98 0.00 0.00 173.24 173.01 1j8h s SER 96 N -3.56 0.48 0.56 7.02 0.15 -1.26 -0.08 113.70 117.01 1j8h s SER 96 Ca 0.25 -0.06 0.31 0.00 0.70 0.00 0.00 55.95 57.15 1j8h s SER 96 Cb -0.01 -0.16 1.63 0.00 -1.71 0.00 0.00 66.02 65.77 1j8h s SER 96 CO 0.02 -0.02 2.12 0.74 1.20 0.00 0.00 173.24 177.30 1j8h h THR 97 N 5.66 0.38 -0.40 6.45 2.02 -1.97 -1.65 112.91 123.39 1j8h h THR 97 Ca -0.35 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1j8h h THR 97 Cb 1.17 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1j8h h THR 97 CO 0.49 0.07 0.00 0.61 0.37 0.00 0.00 175.52 177.06 1j8h n GLY 98 N -0.69 2.27 3.22 2.16 0.00 -1.26 -4.87 105.19 106.03 1j8h n GLY 98 Ca -0.02 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1j8h n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8h s LEU 99 N -1.68 2.02 0.00 0.99 1.02 -0.62 -5.02 118.68 115.38 1j8h s LEU 99 Ca 0.36 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 54.03 1j8h s LEU 99 Cb 0.26 -1.26 0.00 0.00 0.02 0.00 0.00 46.19 45.21 1j8h s LEU 99 CO 0.13 0.20 0.04 -2.65 0.02 0.00 0.00 176.35 174.08 1j8h n PRO 100 N 3.13 0.07 -3.96 1.29 -0.02 -1.26 -4.73 135.00 129.52 1j8h n PRO 100 Ca -0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 1j8h n PRO 100 Cb 0.52 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.93 1j8h n PRO 100 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1j8h s TYR 104 N -0.99 0.34 0.00 6.00 -0.85 -1.26 -5.18 117.35 115.40 1j8h s TYR 104 Ca 0.00 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.80 1j8h s TYR 104 Cb 0.00 0.35 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1j8h s TYR 104 CO 0.00 -1.16 0.00 0.41 -1.52 0.00 0.00 175.55 173.28 1j8h n GLY 105 N -0.45 2.33 3.50 5.49 0.00 -1.26 -4.75 105.19 110.05 1j8h n GLY 105 Ca -0.03 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1j8h n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j8h n TYR 106 N 0.00 0.20 -3.86 1.61 4.02 -1.26 -4.76 117.16 113.11 1j8h n TYR 106 Ca 0.00 0.66 -0.30 0.00 -0.01 0.00 0.00 57.90 58.26 1j8h n TYR 106 Cb 0.00 -2.09 -0.16 0.00 -0.02 0.00 0.00 39.34 37.08 1j8h n TYR 106 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1j8h s THR 107 N -1.29 1.23 0.43 -0.72 2.01 -0.73 -4.95 115.64 111.62 1j8h s THR 107 Ca 0.62 -1.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 1j8h s THR 107 Cb -0.66 -1.67 -0.09 0.00 0.01 0.00 0.00 72.50 70.09 1j8h s THR 107 CO 0.58 -0.29 0.91 -0.36 -0.69 0.00 0.00 174.62 174.77 1j8h s PHE 108 N 1.51 3.37 0.70 4.92 0.40 -1.26 -1.79 117.98 125.83 1j8h s PHE 108 Ca -0.00 1.45 -0.02 0.00 -0.60 0.00 0.00 56.93 57.76 1j8h s PHE 108 Cb -0.18 -2.74 0.10 0.00 0.51 0.00 0.00 43.02 40.71 1j8h s PHE 108 CO -0.11 -0.14 0.97 0.20 0.70 0.00 0.00 175.22 176.84 1j8h s GLY 109 N -2.53 1.77 0.00 4.36 0.00 0.02 -4.48 107.32 106.45 1j8h s GLY 109 Ca 0.59 -1.49 0.16 0.00 0.00 0.00 0.00 44.72 43.97 1j8h s GLY 109 CO 0.20 -1.00 1.43 1.44 0.00 0.00 0.00 173.10 175.18 1j8h n SER 110 N -2.81 0.00 0.00 1.64 7.64 -1.26 -4.76 113.62 114.08 1j8h n SER 110 Ca 0.12 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1j8h n SER 110 Cb 0.60 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1j8h n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j8h n GLY 111 N 0.03 -1.64 2.62 0.23 0.00 -1.26 -5.00 105.19 100.18 1j8h n GLY 111 Ca 0.08 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 1j8h n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8h s THR 112 N -3.02 -0.12 -0.25 2.61 2.01 0.11 -4.51 115.64 112.46 1j8h s THR 112 Ca 0.00 -0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 1j8h s THR 112 Cb 0.00 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.88 1j8h s THR 112 CO 0.00 -0.32 1.02 -0.60 -0.69 0.00 0.00 174.62 174.03 1j8h s ARG 113 N 2.16 4.20 -0.14 4.92 6.06 -0.16 -1.29 118.95 134.70 1j8h s ARG 113 Ca 0.04 1.24 0.01 0.00 -2.50 0.00 0.00 55.73 54.51 1j8h s ARG 113 Cb -0.16 -3.67 0.02 0.00 0.06 0.00 0.00 34.95 31.20 1j8h s ARG 113 CO -0.13 -0.69 -0.15 -1.17 -2.50 0.00 0.00 175.30 170.66 1j8h s LEU 114 N 3.27 1.74 -0.17 -0.88 2.96 0.05 -1.01 118.68 124.65 1j8h s LEU 114 Ca 0.43 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1j8h s LEU 114 Cb -0.14 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1j8h s LEU 114 CO 0.09 -0.03 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.08 1j8h s THR 115 N 1.30 2.93 -0.29 3.68 2.01 -0.77 -0.39 115.64 124.11 1j8h s THR 115 Ca 0.01 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 1j8h s THR 115 Cb -0.14 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1j8h s THR 115 CO -0.08 0.49 0.19 -0.69 -0.69 0.00 0.00 174.62 173.85 1j8h s VAL 116 N 0.94 5.21 0.19 3.82 1.01 -1.26 -2.10 120.40 128.21 1j8h s VAL 116 Ca -0.02 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.10 1j8h s VAL 116 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1j8h s VAL 116 CO -0.01 0.19 -0.18 0.68 0.00 0.00 0.00 175.10 175.78 1j8h s VAL 117 N 1.74 2.71 0.13 2.92 -7.23 0.35 -4.50 120.40 116.52 1j8h s VAL 117 Ca 0.07 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 1j8h s VAL 117 Cb -0.16 -2.32 -0.19 0.00 0.56 0.00 0.00 36.38 34.26 1j8h s VAL 117 CO 0.10 -0.12 1.31 -0.33 -0.31 0.00 0.00 175.10 175.75 1j8h h GLU 118 N 3.07 0.07 -3.85 4.82 5.08 -1.94 -1.01 114.58 120.82 1j8h h GLU 118 Ca -0.46 -0.11 -0.55 0.00 -1.00 0.00 0.00 59.36 57.24 1j8h h GLU 118 Cb 1.21 0.04 -0.39 0.00 0.50 0.00 0.00 28.75 30.10 1j8h h GLU 118 CO 0.51 0.99 -0.77 0.34 -1.00 0.00 0.00 179.01 179.08 1j8h s ASP 119 N -6.83 3.27 0.60 1.42 3.68 -1.26 -4.55 116.67 113.00 1j8h s ASP 119 Ca -0.01 -0.96 0.31 0.00 2.13 0.00 0.00 52.55 54.03 1j8h s ASP 119 Cb 0.10 -0.82 1.87 0.00 -1.45 0.00 0.00 42.92 42.62 1j8h s ASP 119 CO 0.83 -0.28 2.26 -0.07 0.13 0.00 0.00 175.17 178.04 1j8h h LEU 120 N 8.13 0.00 0.00 -1.34 3.38 -1.95 -1.04 115.31 122.49 1j8h h LEU 120 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1j8h h LEU 120 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1j8h h LEU 120 CO 0.36 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.49 1j8h n ASN 121 N -3.78 0.00 -0.65 -0.43 3.02 -1.26 -1.73 115.26 110.43 1j8h n ASN 121 Ca -0.03 -0.46 0.13 0.00 -0.03 0.00 0.00 54.58 54.19 1j8h n ASN 121 Cb 0.08 -0.02 0.29 0.00 -0.61 0.00 0.00 39.78 39.53 1j8h n ASN 121 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j8h n LYS 122 N -1.02 1.80 -2.80 3.52 4.76 -0.40 -4.92 118.16 119.11 1j8h n LYS 122 Ca 0.12 -1.30 -0.41 0.00 -2.87 0.00 0.00 58.31 53.84 1j8h n LYS 122 Cb 0.06 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.73 1j8h n LYS 122 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1j8h s VAL 123 N -2.10 4.64 -0.09 -0.18 1.01 -0.70 -4.73 120.40 118.25 1j8h s VAL 123 Ca 0.31 1.94 -0.09 0.00 0.00 0.00 0.00 61.98 64.13 1j8h s VAL 123 Cb 0.20 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1j8h s VAL 123 CO 0.36 0.30 0.26 -0.36 0.00 0.00 0.00 175.10 175.66 1j8h s PHE 124 N 0.18 -0.26 0.74 5.22 0.08 -0.35 -4.78 117.98 118.81 1j8h s PHE 124 Ca 0.45 0.64 -0.11 0.00 0.12 0.00 0.00 56.93 58.03 1j8h s PHE 124 Cb -0.22 0.09 0.04 0.00 -0.57 0.00 0.00 43.02 42.36 1j8h s PHE 124 CO 0.27 -0.16 1.09 -2.14 -0.10 0.00 0.00 175.22 174.18 1j8h s PRO 125 N -0.01 2.55 0.34 0.24 0.02 -1.26 -1.90 135.00 134.98 1j8h s PRO 125 Ca -0.01 0.66 -0.01 0.00 0.02 0.00 0.00 61.00 61.65 1j8h s PRO 125 Cb -0.02 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1j8h s PRO 125 CO 0.01 -1.30 0.56 -1.25 -0.33 0.00 0.00 177.00 174.69 1j8h s PRO 126 N -5.19 3.51 -0.01 5.54 0.04 -1.26 -4.16 135.00 133.47 1j8h s PRO 126 Ca 0.59 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.38 1j8h s PRO 126 Cb -0.13 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1j8h s PRO 126 CO 0.54 0.14 0.16 -1.21 0.04 0.00 0.00 177.00 176.66 1j8h s GLU 127 N -4.19 3.34 -0.04 4.56 2.02 0.18 -4.88 118.70 119.70 1j8h s GLU 127 Ca 0.41 -0.36 0.06 0.00 0.02 0.00 0.00 54.97 55.10 1j8h s GLU 127 Cb -0.10 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 31.08 1j8h s GLU 127 CO 0.36 0.67 -0.22 0.08 0.02 0.00 0.00 175.26 176.17 1j8h s VAL 128 N -1.29 1.76 -0.07 2.63 1.01 -1.26 -1.36 120.40 121.83 1j8h s VAL 128 Ca 0.26 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1j8h s VAL 128 Cb -0.12 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1j8h s VAL 128 CO 0.17 0.50 0.17 0.00 0.00 0.00 0.00 175.10 175.94 1j8h s ALA 129 N -0.25 -0.39 -0.00 5.51 0.00 -0.71 -4.59 121.76 121.33 1j8h s ALA 129 Ca 0.01 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1j8h s ALA 129 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1j8h s ALA 129 CO 0.01 -0.11 0.07 0.08 0.00 0.00 0.00 175.76 175.81 1j8h s VAL 130 N 0.50 4.62 -0.15 0.00 1.01 -1.26 -1.04 120.40 124.08 1j8h s VAL 130 Ca -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1j8h s VAL 130 Cb -0.05 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1j8h s VAL 130 CO -0.02 0.35 -0.17 -0.36 0.00 0.00 0.00 175.10 174.89 1j8h s PHE 131 N -1.18 2.38 0.67 5.22 0.40 0.07 -4.98 117.98 120.56 1j8h s PHE 131 Ca 0.22 -1.30 -0.15 0.00 -0.60 0.00 0.00 56.93 55.10 1j8h s PHE 131 Cb -0.12 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 41.73 1j8h s PHE 131 CO 0.13 -0.66 1.13 -1.21 0.70 0.00 0.00 175.22 175.31 1j8h s GLU 132 N 1.24 2.66 0.64 0.44 2.02 -1.26 -2.01 118.70 122.43 1j8h s GLU 132 Ca 0.01 1.47 -0.17 0.00 0.02 0.00 0.00 54.97 56.30 1j8h s GLU 132 Cb -0.14 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1j8h s GLU 132 CO -0.08 -1.37 0.89 -2.30 0.02 0.00 0.00 175.26 172.42 1j8h n PRO 133 N -2.47 0.71 -2.80 0.39 -0.02 -1.25 -4.88 135.00 124.69 1j8h n PRO 133 Ca 0.11 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1j8h n PRO 133 Cb 0.52 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1j8h n PRO 133 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1j8h s SER 134 N -1.36 7.27 0.32 2.55 0.15 -1.26 -4.94 113.70 116.42 1j8h s SER 134 Ca 0.75 1.54 0.02 0.00 0.70 0.00 0.00 55.95 58.95 1j8h s SER 134 Cb -0.39 -2.53 0.58 0.00 -1.71 0.00 0.00 66.02 61.97 1j8h s SER 134 CO 0.49 -0.22 1.93 -0.33 1.20 0.00 0.00 173.24 176.31 1j8h h GLU 135 N 6.77 0.93 0.02 5.44 4.39 -1.98 -1.75 114.58 128.40 1j8h h GLU 135 Ca -0.41 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.25 1j8h h GLU 135 Cb 1.21 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 1j8h h GLU 135 CO 0.75 0.61 -0.14 0.00 -1.16 0.00 0.00 179.01 179.08 1j8h h ALA 136 N 1.54 -0.18 -0.72 3.43 0.00 -1.99 0.02 119.26 121.35 1j8h h ALA 136 Ca 0.36 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1j8h h ALA 136 Cb 0.20 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1j8h h ALA 136 CO -0.13 -0.64 0.43 1.49 0.00 0.00 0.00 179.25 180.41 1j8h h GLU 137 N -0.24 0.79 -0.23 0.00 4.81 -1.73 0.28 114.58 118.26 1j8h h GLU 137 Ca 0.04 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1j8h h GLU 137 Cb 0.29 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1j8h h GLU 137 CO -0.12 0.52 -0.03 0.82 -0.73 0.00 0.00 179.01 179.47 1j8h h ILE 138 N 0.82 0.80 -0.31 2.32 2.04 -0.70 0.31 117.51 122.78 1j8h h ILE 138 Ca 0.31 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 66.11 1j8h h ILE 138 Cb 0.12 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1j8h h ILE 138 CO -0.15 0.01 -0.02 -1.28 0.00 0.00 0.00 178.15 176.70 1j8h h SER 139 N 0.03 0.55 0.75 1.72 0.87 -0.28 0.23 113.55 117.43 1j8h h SER 139 Ca 0.11 -0.32 -0.11 0.00 -1.23 0.00 0.00 61.79 60.24 1j8h h SER 139 Cb 0.15 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1j8h h SER 139 CO -0.21 0.74 -0.52 -0.74 -0.53 0.00 0.00 176.83 175.57 1j8h h HIS 140 N 0.35 0.00 0.00 2.24 -0.00 -0.25 -3.38 115.15 114.11 1j8h h HIS 140 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1j8h h HIS 140 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1j8h h HIS 140 CO 0.04 0.52 -0.07 0.25 -0.00 0.00 0.00 177.93 178.67 1j8h n THR 141 N -3.66 0.00 -2.90 6.26 -2.24 0.08 -5.03 114.28 106.80 1j8h n THR 141 Ca -0.01 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1j8h n THR 141 Cb 0.58 0.90 0.03 0.00 -2.10 0.00 0.00 70.33 69.75 1j8h n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8h n GLN 142 N -0.56 -3.82 -3.99 -0.78 3.00 0.81 -5.01 117.38 107.03 1j8h n GLN 142 Ca 0.00 0.56 -0.08 0.00 -0.01 0.00 0.00 57.00 57.48 1j8h n GLN 142 Cb 0.00 -4.72 -0.09 0.00 0.00 0.00 0.00 30.24 25.43 1j8h n GLN 142 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1j8h s LYS 143 N -5.47 0.71 -0.15 -1.09 1.02 -1.25 -2.41 119.74 111.09 1j8h s LYS 143 Ca 0.26 -1.10 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1j8h s LYS 143 Cb -0.11 0.27 0.05 0.00 -0.52 0.00 0.00 37.83 37.51 1j8h s LYS 143 CO 0.32 -0.18 0.03 0.00 -0.92 0.00 0.00 175.35 174.59 1j8h s ALA 144 N -3.88 0.89 -0.27 5.17 0.00 0.89 -3.19 121.76 121.39 1j8h s ALA 144 Ca 0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 1j8h s ALA 144 Cb 0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1j8h s ALA 144 CO -0.10 -0.94 0.26 0.99 0.00 0.00 0.00 175.76 175.96 1j8h s THR 145 N 1.90 5.26 0.12 0.00 2.01 -1.26 -1.79 115.64 121.88 1j8h s THR 145 Ca 0.01 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 1j8h s THR 145 Cb -0.15 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1j8h s THR 145 CO -0.07 0.23 0.29 -0.76 -0.69 0.00 0.00 174.62 173.62 1j8h s LEU 146 N 1.75 4.31 -0.03 4.42 1.02 -0.18 -3.76 118.68 126.21 1j8h s LEU 146 Ca 0.10 0.34 0.05 0.00 0.02 0.00 0.00 54.13 54.64 1j8h s LEU 146 Cb -0.16 -3.06 -0.01 0.00 0.02 0.00 0.00 46.19 42.99 1j8h s LEU 146 CO 0.10 0.08 -0.17 -0.69 0.02 0.00 0.00 176.35 175.69 1j8h s VAL 147 N -1.65 1.37 -0.10 -1.59 1.01 -0.85 -1.86 120.40 116.73 1j8h s VAL 147 Ca 0.37 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1j8h s VAL 147 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1j8h s VAL 147 CO 0.28 0.39 -0.13 0.00 0.00 0.00 0.00 175.10 175.64 1j8h s LEU 149 N -0.10 2.34 -0.27 0.00 1.43 -0.21 -1.75 118.68 120.12 1j8h s LEU 149 Ca -0.01 -0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 52.16 1j8h s LEU 149 Cb -0.14 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1j8h s LEU 149 CO 0.04 -0.11 0.09 0.00 0.23 0.00 0.00 176.35 176.60 1j8h s ALA 150 N 1.34 3.17 0.19 4.21 0.00 0.17 -1.73 121.76 129.11 1j8h s ALA 150 Ca -0.00 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.74 1j8h s ALA 150 Cb -0.16 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1j8h s ALA 150 CO -0.09 -0.66 -0.02 0.95 0.00 0.00 0.00 175.76 175.94 1j8h s THR 151 N 1.59 0.93 -0.78 0.00 -4.23 -0.46 0.62 115.64 113.32 1j8h s THR 151 Ca 0.05 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1j8h s THR 151 Cb -0.16 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1j8h s THR 151 CO 0.04 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1j8h n GLY 152 N -0.31 0.87 3.95 3.99 0.00 -0.51 -0.65 105.19 112.52 1j8h n GLY 152 Ca -0.06 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 1j8h n GLY 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j8h s PHE 153 N -2.01 3.46 -0.29 1.61 -0.71 -1.10 -4.63 117.98 114.32 1j8h s PHE 153 Ca 0.00 0.27 -0.23 0.00 -1.04 0.00 0.00 56.93 55.94 1j8h s PHE 153 Cb 0.00 -1.88 0.15 0.00 -1.21 0.00 0.00 43.02 40.08 1j8h s PHE 153 CO 0.00 0.13 1.12 0.12 -1.34 0.00 0.00 175.22 175.25 1j8h s PHE 154 N -2.28 -0.39 0.00 3.49 5.36 -0.80 0.57 117.98 123.94 1j8h s PHE 154 Ca 0.40 0.89 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 1j8h s PHE 154 Cb -0.10 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 1j8h s PHE 154 CO 0.35 -0.19 0.00 -0.35 -1.46 0.00 0.00 175.22 173.57 1j8h n PRO 155 N 2.46 0.59 -1.60 10.12 -0.04 -1.26 -1.21 135.00 144.05 1j8h n PRO 155 Ca -0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 1j8h n PRO 155 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1j8h n PRO 155 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1j8h n ASP 156 N -0.82 7.43 -3.52 3.54 2.03 -1.26 -4.76 116.55 119.19 1j8h n ASP 156 Ca 0.00 -2.78 -0.32 0.00 0.52 0.00 0.00 54.79 52.21 1j8h n ASP 156 Cb 0.00 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 38.82 1j8h n ASP 156 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1j8h n HIS 157 N 3.70 3.30 -4.21 -0.67 8.25 -1.26 -5.05 115.22 119.28 1j8h n HIS 157 Ca 0.68 -3.65 -0.19 0.00 -0.26 0.00 0.00 57.72 54.29 1j8h n HIS 157 Cb 0.27 -0.76 -0.12 0.00 1.12 0.00 0.00 29.99 30.51 1j8h n HIS 157 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1j8h s VAL 158 N -2.91 1.27 -0.13 1.59 -7.23 -1.26 -1.25 120.40 110.49 1j8h s VAL 158 Ca 0.39 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 59.09 1j8h s VAL 158 Cb 0.14 -1.27 0.04 0.00 0.56 0.00 0.00 36.38 35.86 1j8h s VAL 158 CO -0.00 -0.24 0.01 -1.61 -0.31 0.00 0.00 175.10 172.95 1j8h s GLU 159 N -1.98 0.76 -0.12 4.82 2.02 -0.48 -4.97 118.70 118.74 1j8h s GLU 159 Ca 0.02 -0.18 -0.04 0.00 0.02 0.00 0.00 54.97 54.79 1j8h s GLU 159 Cb -0.09 -1.57 -0.03 0.00 0.10 0.00 0.00 34.13 32.54 1j8h s GLU 159 CO 0.03 -0.45 0.02 -1.17 0.02 0.00 0.00 175.26 173.71 1j8h s LEU 160 N 1.88 3.65 0.02 1.80 0.20 -1.26 -0.46 118.68 124.51 1j8h s LEU 160 Ca 0.02 0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.96 1j8h s LEU 160 Cb -0.14 -1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 43.73 1j8h s LEU 160 CO -0.07 0.30 -0.03 -0.94 -0.29 0.00 0.00 176.35 175.32 1j8h s SER 161 N -0.41 0.32 -0.15 3.68 1.04 0.13 -4.99 113.70 113.32 1j8h s SER 161 Ca 0.08 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 1j8h s SER 161 Cb -0.12 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1j8h s SER 161 CO 0.02 -0.31 -0.06 0.26 0.98 0.00 0.00 173.24 174.13 1j8h s TRP 162 N -1.64 2.97 -0.11 5.02 0.52 -1.26 -0.25 118.94 124.19 1j8h s TRP 162 Ca -0.14 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.64 1j8h s TRP 162 Cb -0.09 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.31 1j8h s TRP 162 CO -0.02 -0.08 -0.22 -1.58 0.02 0.00 0.00 176.95 175.08 1j8h s TRP 163 N 0.35 2.47 -0.16 -1.98 0.52 0.37 -0.20 118.94 120.31 1j8h s TRP 163 Ca -0.06 -1.09 0.01 0.00 0.02 0.00 0.00 56.10 54.99 1j8h s TRP 163 Cb -0.15 -1.67 0.02 0.00 -1.15 0.00 0.00 33.47 30.52 1j8h s TRP 163 CO 0.04 -0.47 -0.19 0.08 0.02 0.00 0.00 176.95 176.42 1j8h s VAL 164 N 0.54 1.96 -1.53 4.03 1.01 -0.52 -0.44 120.40 125.45 1j8h s VAL 164 Ca -0.14 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1j8h s VAL 164 Cb -0.17 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1j8h s VAL 164 CO 0.05 0.53 0.90 0.59 0.00 0.00 0.00 175.10 177.17 1j8h n ASN 165 N 4.47 -4.04 0.00 3.32 3.02 -0.11 -1.37 115.26 120.56 1j8h n ASN 165 Ca -0.20 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1j8h n ASN 165 Cb 0.50 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 1j8h n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j8h n GLY 166 N -1.65 0.72 3.50 7.41 0.00 -1.26 -5.01 105.19 108.89 1j8h n GLY 166 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1j8h n GLY 166 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j8h s LYS 167 N -0.26 3.67 0.15 1.61 2.20 -0.47 -5.06 119.74 121.58 1j8h s LYS 167 Ca 0.00 -0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 54.78 1j8h s LYS 167 Cb 0.00 -2.93 -0.10 0.00 -1.51 0.00 0.00 37.83 33.29 1j8h s LYS 167 CO 0.00 0.23 1.58 -2.00 -0.36 0.00 0.00 175.35 174.80 1j8h s GLU 168 N 0.40 4.21 0.02 4.03 2.12 -1.26 -1.44 118.70 126.78 1j8h s GLU 168 Ca -0.04 2.36 0.04 0.00 0.36 0.00 0.00 54.97 57.69 1j8h s GLU 168 Cb -0.14 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1j8h s GLU 168 CO 0.03 -0.62 -0.07 0.08 -0.54 0.00 0.00 175.26 174.13 1j8h s VAL 169 N 1.34 3.58 0.00 3.70 1.01 0.72 -4.93 120.40 125.82 1j8h s VAL 169 Ca 0.71 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1j8h s VAL 169 Cb -0.43 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1j8h s VAL 169 CO 0.31 0.36 0.00 1.41 0.00 0.00 0.00 175.10 177.19 1j8h n HIS 170 N 1.47 0.00 -2.09 5.22 8.25 -1.26 -4.43 115.22 122.37 1j8h n HIS 170 Ca -0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 1j8h n HIS 170 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 1j8h n HIS 170 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j8h s SER 171 N -3.82 6.75 0.00 0.41 0.15 -1.26 -2.22 113.70 113.70 1j8h s SER 171 Ca 0.00 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.20 1j8h s SER 171 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1j8h s SER 171 CO 0.00 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1j8h n GLY 172 N 2.42 1.02 3.81 9.45 0.00 -1.26 -4.88 105.19 115.76 1j8h n GLY 172 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1j8h n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j8h s VAL 173 N -3.13 4.80 -0.26 1.61 1.01 -0.94 -1.14 120.40 122.34 1j8h s VAL 173 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1j8h s VAL 173 Cb 0.00 -3.29 0.14 0.00 0.00 0.00 0.00 36.38 33.23 1j8h s VAL 173 CO 0.00 0.18 0.40 -0.94 0.00 0.00 0.00 175.10 174.74 1j8h s SER 174 N -2.27 0.12 -0.11 3.32 1.04 -0.87 -4.99 113.70 109.94 1j8h s SER 174 Ca 0.29 0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.87 1j8h s SER 174 Cb -0.12 1.21 -0.04 0.00 0.10 0.00 0.00 66.02 67.17 1j8h s SER 174 CO 0.22 -0.30 0.07 -0.89 0.98 0.00 0.00 173.24 173.31 1j8h s THR 175 N 2.57 4.92 0.21 2.02 2.01 -1.26 -1.90 115.64 124.21 1j8h s THR 175 Ca 0.13 -0.01 -0.32 0.00 0.31 0.00 0.00 61.69 61.79 1j8h s THR 175 Cb -0.15 -3.12 -0.14 0.00 0.01 0.00 0.00 72.50 69.11 1j8h s THR 175 CO -0.18 0.61 1.45 0.47 -0.69 0.00 0.00 174.62 176.28 1j8h n ASP 176 N 2.13 2.79 0.28 3.53 8.00 -0.99 -4.85 116.55 127.44 1j8h n ASP 176 Ca -0.19 1.12 0.14 0.00 0.71 0.00 0.00 54.79 56.57 1j8h n ASP 176 Cb 0.54 -1.41 0.85 0.00 -0.02 0.00 0.00 41.12 41.07 1j8h n ASP 176 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1j8h h PRO 177 N 4.74 0.00 -3.12 -0.24 0.11 -1.97 -3.44 132.00 128.08 1j8h h PRO 177 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1j8h h PRO 177 Cb 1.27 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.19 1j8h h PRO 177 CO 0.80 0.04 -0.28 -0.65 -0.21 0.00 0.00 178.00 177.70 1j8h s GLN 178 N -4.50 0.69 1.01 1.05 -0.21 -1.26 -5.17 119.66 111.27 1j8h s GLN 178 Ca -0.04 -0.28 -0.17 0.00 0.02 0.00 0.00 55.36 54.89 1j8h s GLN 178 Cb 0.15 0.30 0.23 0.00 1.00 0.00 0.00 33.01 34.69 1j8h s GLN 178 CO 0.56 -0.20 1.33 -2.14 -2.12 0.00 0.00 175.29 172.73 1j8h s PRO 179 N -1.60 0.24 0.00 2.91 0.02 -1.26 -4.95 135.00 130.36 1j8h s PRO 179 Ca -0.12 -0.47 0.03 0.00 0.02 0.00 0.00 61.00 60.46 1j8h s PRO 179 Cb -0.04 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.66 1j8h s PRO 179 CO 0.02 -2.68 -0.11 -0.48 -0.33 0.00 0.00 177.00 173.43 1j8h s LEU 180 N -6.04 2.06 0.20 -5.54 0.05 -0.87 -4.94 118.68 103.60 1j8h s LEU 180 Ca 0.76 -0.25 -0.30 0.00 0.05 0.00 0.00 54.13 54.39 1j8h s LEU 180 Cb -0.03 -0.52 -0.08 0.00 -2.05 0.00 0.00 46.19 43.51 1j8h s LEU 180 CO 0.54 0.09 1.13 -0.54 -0.55 0.00 0.00 176.35 177.02 1j8h s LYS 181 N -0.45 4.57 0.41 1.48 1.02 -1.26 -1.98 119.74 123.53 1j8h s LYS 181 Ca 0.03 1.78 0.23 0.00 0.02 0.00 0.00 55.97 58.02 1j8h s LYS 181 Cb -0.05 -3.25 0.68 0.00 -0.52 0.00 0.00 37.83 34.69 1j8h s LYS 181 CO -0.00 0.05 1.72 0.93 -0.92 0.00 0.00 175.35 177.13 1j8h h GLU 182 N 4.91 0.00 -2.04 1.68 5.08 -1.69 -3.34 114.58 119.18 1j8h h GLU 182 Ca -0.45 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.40 1j8h h GLU 182 Cb 1.21 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.12 1j8h h GLU 182 CO 0.72 0.24 -0.92 1.04 -1.00 0.00 0.00 179.01 179.09 1j8h n GLN 183 N -3.28 0.33 -0.57 2.33 6.02 -1.26 -5.02 117.38 115.92 1j8h n GLN 183 Ca 0.01 -2.97 0.46 0.00 -0.01 0.00 0.00 57.00 54.48 1j8h n GLN 183 Cb 0.50 -1.56 0.74 0.00 1.02 0.00 0.00 30.24 30.94 1j8h n GLN 183 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1j8h h PRO 184 N 5.23 0.01 -0.44 -1.09 0.11 -1.95 -1.08 132.00 132.79 1j8h h PRO 184 Ca 0.20 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 1j8h h PRO 184 Cb 0.94 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1j8h h PRO 184 CO 0.33 0.01 -0.09 0.00 -0.21 0.00 0.00 178.00 178.03 1j8h h ALA 185 N 1.35 1.01 -2.57 -0.75 0.00 -1.95 -3.44 119.26 112.91 1j8h h ALA 185 Ca 0.90 -0.31 -0.48 0.00 0.00 0.00 0.00 54.91 55.02 1j8h h ALA 185 Cb 3.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.83 1j8h h ALA 185 CO -0.26 0.60 0.38 -0.51 0.00 0.00 0.00 179.25 179.46 1j8h s LEU 186 N -9.04 4.38 0.00 0.00 1.02 -0.41 -4.96 118.68 109.67 1j8h s LEU 186 Ca -0.09 1.96 0.27 0.00 0.02 0.00 0.00 54.13 56.29 1j8h s LEU 186 Cb 0.14 -3.92 0.90 0.00 0.02 0.00 0.00 46.19 43.32 1j8h s LEU 186 CO 0.82 -0.13 1.65 -0.46 0.02 0.00 0.00 176.35 178.26 1j8h n ASN 187 N 0.68 0.99 -0.24 2.29 6.94 -1.26 -3.50 115.26 121.16 1j8h n ASN 187 Ca 0.01 -0.93 0.02 0.00 -0.02 0.00 0.00 54.58 53.66 1j8h n ASN 187 Cb 0.49 0.08 0.05 0.00 -2.36 0.00 0.00 39.78 38.03 1j8h n ASN 187 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1j8h n ASP 188 N -0.57 2.12 -4.53 0.53 5.75 -1.26 -5.06 116.55 113.52 1j8h n ASP 188 Ca 0.14 -1.79 -0.38 0.00 -0.01 0.00 0.00 54.79 52.76 1j8h n ASP 188 Cb 0.33 -0.07 0.05 0.00 -1.03 0.00 0.00 41.12 40.40 1j8h n ASP 188 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1j8h n SER 189 N 0.00 -0.32 -4.89 -1.12 2.88 -1.23 -4.99 113.62 103.95 1j8h n SER 189 Ca 0.04 0.74 -0.29 0.00 -1.33 0.00 0.00 58.87 58.03 1j8h n SER 189 Cb 0.27 -1.27 0.03 0.00 -0.75 0.00 0.00 64.21 62.49 1j8h n SER 189 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j8h s ARG 190 N -2.49 3.04 0.39 -1.46 0.52 -1.26 -4.90 118.95 112.79 1j8h s ARG 190 Ca 0.72 0.37 0.08 0.00 -0.52 0.00 0.00 55.73 56.37 1j8h s ARG 190 Cb -0.42 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.89 1j8h s ARG 190 CO 0.51 -0.82 0.18 0.71 0.02 0.00 0.00 175.30 175.91 1j8h s TYR 191 N -3.19 2.64 -0.04 -0.53 2.02 0.19 -1.80 117.35 116.63 1j8h s TYR 191 Ca 0.56 -0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 56.69 1j8h s TYR 191 Cb -0.11 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1j8h s TYR 191 CO 0.50 0.20 0.12 -1.12 -1.57 0.00 0.00 175.55 173.68 1j8h s SER 192 N -3.91 -0.12 0.02 2.29 0.01 -0.84 -1.43 113.70 109.72 1j8h s SER 192 Ca 0.41 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.93 1j8h s SER 192 Cb 0.02 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 1j8h s SER 192 CO 0.23 -0.04 -0.08 -0.22 0.41 0.00 0.00 173.24 173.54 1j8h s LEU 193 N 0.06 2.12 0.25 2.44 2.96 0.20 -2.04 118.68 124.68 1j8h s LEU 193 Ca -0.00 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1j8h s LEU 193 Cb -0.01 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 1j8h s LEU 193 CO 0.00 -0.04 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.94 1j8h s SER 194 N -0.81 2.82 0.06 3.68 1.04 -1.26 -0.65 113.70 118.58 1j8h s SER 194 Ca -0.03 -1.10 -0.24 0.00 0.48 0.00 0.00 55.95 55.07 1j8h s SER 194 Cb -0.06 -0.18 0.06 0.00 0.10 0.00 0.00 66.02 65.94 1j8h s SER 194 CO 0.00 -0.22 0.56 -0.55 0.98 0.00 0.00 173.24 174.01 1j8h s SER 195 N -3.41 -0.50 0.06 7.02 0.15 -0.72 -2.35 113.70 113.95 1j8h s SER 195 Ca 0.27 0.20 0.06 0.00 0.70 0.00 0.00 55.95 57.18 1j8h s SER 195 Cb 0.01 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1j8h s SER 195 CO 0.10 -0.78 -0.18 -0.13 1.20 0.00 0.00 173.24 173.46 1j8h s ARG 196 N -2.65 1.14 -0.18 5.44 0.52 -0.80 -0.55 118.95 121.87 1j8h s ARG 196 Ca -0.04 -0.92 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1j8h s ARG 196 Cb -0.00 -1.24 0.05 0.00 0.52 0.00 0.00 34.95 34.27 1j8h s ARG 196 CO -0.03 0.31 -0.01 -1.17 0.02 0.00 0.00 175.30 174.41 1j8h s LEU 197 N -1.35 1.47 -0.21 2.53 2.96 -0.78 -2.05 118.68 121.25 1j8h s LEU 197 Ca 0.05 -0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 1j8h s LEU 197 Cb -0.09 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.80 1j8h s LEU 197 CO 0.02 -0.24 0.00 -0.60 -1.32 0.00 0.00 176.35 174.21 1j8h s ARG 198 N 1.72 3.57 0.37 1.98 3.52 -0.29 -1.02 118.95 128.80 1j8h s ARG 198 Ca -0.00 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 1j8h s ARG 198 Cb -0.16 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 1j8h s ARG 198 CO -0.07 -0.07 0.06 0.14 -0.81 0.00 0.00 175.30 174.54 1j8h s VAL 199 N 1.22 1.20 0.57 7.11 -7.23 -0.74 -4.69 120.40 117.84 1j8h s VAL 199 Ca 0.03 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 1j8h s VAL 199 Cb -0.15 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1j8h s VAL 199 CO 0.01 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 174.97 1j8h s SER 200 N -3.59 5.62 0.21 4.85 1.04 -1.26 -0.07 113.70 120.50 1j8h s SER 200 Ca 0.31 2.09 -0.09 0.00 0.48 0.00 0.00 55.95 58.74 1j8h s SER 200 Cb 0.07 -2.57 0.26 0.00 0.10 0.00 0.00 66.02 63.88 1j8h s SER 200 CO 0.14 -1.29 1.80 0.00 0.98 0.00 0.00 173.24 174.88 1j8h h ALA 201 N 0.89 0.90 -0.26 5.32 0.00 -1.74 -1.85 119.26 122.52 1j8h h ALA 201 Ca -0.49 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1j8h h ALA 201 Cb 1.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1j8h h ALA 201 CO 0.56 0.02 0.02 1.15 0.00 0.00 0.00 179.25 181.01 1j8h h THR 202 N 0.66 0.84 -0.73 0.00 2.02 -1.92 0.95 112.91 114.73 1j8h h THR 202 Ca 0.31 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1j8h h THR 202 Cb 0.22 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1j8h h THR 202 CO -0.20 0.02 0.44 0.15 0.37 0.00 0.00 175.52 176.30 1j8h h PHE 203 N 0.11 0.81 -0.07 3.16 3.04 -1.78 -2.01 116.94 120.20 1j8h h PHE 203 Ca 0.12 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.97 1j8h h PHE 203 Cb 0.15 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1j8h h PHE 203 CO -0.19 0.42 -0.53 2.35 -2.02 0.00 0.00 178.31 178.35 1j8h h TRP 204 N 0.82 0.23 0.00 0.41 2.91 -0.80 -2.91 115.95 116.61 1j8h h TRP 204 Ca 0.32 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.26 1j8h h TRP 204 Cb 0.13 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1j8h h TRP 204 CO -0.05 0.68 0.00 1.04 -1.03 0.00 0.00 178.44 179.07 1j8h n GLN 205 N -3.92 0.73 -3.03 2.65 6.02 0.28 -0.46 117.38 119.65 1j8h n GLN 205 Ca -0.02 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 1j8h n GLN 205 Cb 0.56 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.26 1j8h n GLN 205 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1j8h s ASN 206 N -2.08 6.47 0.16 1.08 3.84 -1.09 -3.46 114.94 119.87 1j8h s ASN 206 Ca 0.36 0.19 0.16 0.00 0.21 0.00 0.00 52.86 53.78 1j8h s ASN 206 Cb 0.17 -2.36 0.75 0.00 -0.55 0.00 0.00 41.25 39.26 1j8h s ASN 206 CO 0.30 -0.70 1.50 -2.65 -2.79 0.00 0.00 177.10 172.77 1j8h n PRO 207 N 6.29 0.10 0.16 0.43 -0.02 -1.26 -2.13 135.00 138.56 1j8h n PRO 207 Ca 0.01 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1j8h n PRO 207 Cb 0.48 -1.73 0.07 0.00 -0.02 0.00 0.00 33.50 32.30 1j8h n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j8h h ARG 208 N 0.00 0.00 -6.51 -0.52 3.08 -1.91 -3.39 114.38 105.13 1j8h h ARG 208 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1j8h h ARG 208 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1j8h h ARG 208 CO 0.00 0.28 0.40 -0.80 -1.07 0.00 0.00 179.97 178.78 1j8h s ASN 209 N -6.26 7.38 -0.15 7.04 0.01 -0.91 -4.95 114.94 117.10 1j8h s ASN 209 Ca 0.04 1.80 -0.02 0.00 -0.71 0.00 0.00 52.86 53.97 1j8h s ASN 209 Cb 0.07 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1j8h s ASN 209 CO 0.73 -0.20 -0.08 -2.28 -1.51 0.00 0.00 177.10 173.76 1j8h s HIS 210 N 0.45 2.92 -0.07 2.20 5.65 -1.26 -1.43 115.29 123.75 1j8h s HIS 210 Ca 0.50 -0.52 0.03 0.00 0.25 0.00 0.00 55.06 55.32 1j8h s HIS 210 Cb -0.24 -1.92 -0.02 0.00 -1.18 0.00 0.00 32.58 29.22 1j8h s HIS 210 CO 0.30 -0.17 -0.15 -0.06 -0.65 0.00 0.00 174.74 174.01 1j8h s PHE 211 N 0.47 2.72 -0.03 3.88 0.40 0.21 -0.93 117.98 124.70 1j8h s PHE 211 Ca -0.06 -0.33 -0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1j8h s PHE 211 Cb -0.15 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.72 1j8h s PHE 211 CO 0.04 0.05 0.05 0.50 0.70 0.00 0.00 175.22 176.55 1j8h s ARG 212 N -0.38 -0.01 -0.23 0.44 3.52 0.42 -1.23 118.95 121.48 1j8h s ARG 212 Ca 0.04 0.20 -0.08 0.00 -0.13 0.00 0.00 55.73 55.76 1j8h s ARG 212 Cb -0.12 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1j8h s ARG 212 CO 0.02 -0.15 0.09 0.00 -0.81 0.00 0.00 175.30 174.45 1j8h s GLN 214 N 1.20 2.37 -0.13 0.00 0.74 0.66 -1.26 119.66 123.23 1j8h s GLN 214 Ca 0.05 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.69 1j8h s GLN 214 Cb -0.14 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 32.03 1j8h s GLN 214 CO 0.04 0.27 -0.12 0.08 -0.55 0.00 0.00 175.29 175.02 1j8h s VAL 215 N 0.06 1.36 -0.16 1.34 1.01 0.20 0.21 120.40 124.42 1j8h s VAL 215 Ca -0.08 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1j8h s VAL 215 Cb -0.14 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1j8h s VAL 215 CO 0.04 0.42 0.26 -1.58 0.00 0.00 0.00 175.10 174.25 1j8h s GLN 216 N 1.55 4.18 -0.07 2.72 0.74 0.39 -0.21 119.66 128.97 1j8h s GLN 216 Ca 0.05 0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.52 1j8h s GLN 216 Cb -0.13 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 1j8h s GLN 216 CO -0.09 0.30 -0.13 0.12 -0.55 0.00 0.00 175.29 174.93 1j8h s PHE 217 N 0.30 2.75 -0.32 1.67 5.36 0.83 -1.39 117.98 127.19 1j8h s PHE 217 Ca 0.15 -0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 55.86 1j8h s PHE 217 Cb -0.13 -1.69 0.06 0.00 -0.34 0.00 0.00 43.02 40.92 1j8h s PHE 217 CO 0.03 0.11 0.03 0.71 -1.46 0.00 0.00 175.22 174.65 1j8h s TYR 218 N -0.49 3.32 0.00 10.12 1.51 -0.38 -0.56 117.35 130.87 1j8h s TYR 218 Ca 0.07 -1.94 0.00 0.00 -1.01 0.00 0.00 57.07 54.19 1j8h s TYR 218 Cb -0.12 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1j8h s TYR 218 CO 0.02 -0.82 0.00 0.41 -1.11 0.00 0.00 175.55 174.04 1j8h n GLY 219 N 4.62 2.89 3.73 0.71 0.00 -1.26 -4.69 105.19 111.19 1j8h n GLY 219 Ca -0.11 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1j8h n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8h s LEU 220 N 0.00 3.21 0.54 0.99 1.43 -0.20 -4.40 118.68 120.26 1j8h s LEU 220 Ca 0.00 2.14 0.09 0.00 -1.03 0.00 0.00 54.13 55.33 1j8h s LEU 220 Cb 0.00 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.72 1j8h s LEU 220 CO 0.00 -2.19 0.69 -0.94 0.23 0.00 0.00 176.35 174.14 1j8h s SER 221 N -2.51 5.10 0.35 2.29 1.04 -1.26 -3.24 113.70 115.47 1j8h s SER 221 Ca 0.69 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1j8h s SER 221 Cb -0.24 0.16 0.65 0.00 0.10 0.00 0.00 66.02 66.69 1j8h s SER 221 CO 0.48 -1.21 2.00 -0.08 0.98 0.00 0.00 173.24 175.41 1j8h h GLU 222 N 0.35 0.78 0.00 4.02 4.81 -2.02 -2.44 114.58 120.08 1j8h h GLU 222 Ca -0.32 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.78 1j8h h GLU 222 Cb 1.29 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1j8h h GLU 222 CO 0.44 0.54 -0.33 -0.97 -0.73 0.00 0.00 179.01 177.96 1j8h h ASN 223 N 0.80 0.00 -2.83 1.04 -1.24 -2.04 -3.44 115.58 107.87 1j8h h ASN 223 Ca 0.21 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.70 1j8h h ASN 223 Cb -0.05 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.06 1j8h h ASN 223 CO -0.04 0.33 0.95 -1.81 -1.29 0.00 0.00 177.43 175.56 1j8h s ASP 224 N -6.85 6.45 0.33 1.15 1.01 -0.92 -4.97 116.67 112.87 1j8h s ASP 224 Ca -0.03 2.80 -0.26 0.00 0.71 0.00 0.00 52.55 55.77 1j8h s ASP 224 Cb 0.14 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 1j8h s ASP 224 CO 0.71 -0.91 1.00 -0.70 0.21 0.00 0.00 175.17 175.48 1j8h s GLU 225 N 0.87 4.48 -0.21 8.23 2.56 -1.26 -4.92 118.70 128.45 1j8h s GLU 225 Ca 0.71 1.46 -0.10 0.00 0.00 0.00 0.00 54.97 57.05 1j8h s GLU 225 Cb -0.47 -2.81 0.08 0.00 2.00 0.00 0.00 34.13 32.93 1j8h s GLU 225 CO 0.34 0.16 0.49 -0.46 -0.56 0.00 0.00 175.26 175.23 1j8h s TRP 226 N -1.53 -0.83 0.00 5.30 -0.11 -1.26 -5.02 118.94 115.49 1j8h s TRP 226 Ca 0.51 1.63 0.00 0.00 1.22 0.00 0.00 56.10 59.46 1j8h s TRP 226 Cb -0.22 0.41 0.00 0.00 -1.50 0.00 0.00 33.47 32.16 1j8h s TRP 226 CO 0.28 -0.46 0.36 0.25 -4.62 0.00 0.00 176.95 172.76 1j8h n THR 227 N 4.78 0.13 -1.05 5.86 -2.24 -1.26 -5.06 114.28 115.44 1j8h n THR 227 Ca -0.17 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.07 1j8h n THR 227 Cb 0.53 1.35 0.15 0.00 -2.10 0.00 0.00 70.33 70.26 1j8h n THR 227 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1j8h s GLN 228 N -0.13 1.17 0.07 -0.78 0.74 -1.26 -4.96 119.66 114.51 1j8h s GLN 228 Ca 0.00 1.02 -0.23 0.00 0.05 0.00 0.00 55.36 56.20 1j8h s GLN 228 Cb 0.00 -1.78 -0.15 0.00 1.10 0.00 0.00 33.01 32.18 1j8h s GLN 228 CO 0.00 -2.36 1.62 -0.44 -0.55 0.00 0.00 175.29 173.56 1j8h h ASP 229 N -1.64 0.04 -3.66 6.67 3.32 -2.06 -3.45 116.42 115.63 1j8h h ASP 229 Ca -0.48 -0.13 -0.46 0.00 0.02 0.00 0.00 57.03 55.97 1j8h h ASP 229 Cb 1.28 -0.01 0.19 0.00 0.22 0.00 0.00 39.33 41.01 1j8h h ASP 229 CO 0.51 0.16 0.11 0.00 -1.72 0.00 0.00 179.24 178.30 1j8h s ARG 230 N -5.68 -0.04 0.34 3.56 1.70 -1.26 -4.93 118.95 112.64 1j8h s ARG 230 Ca -0.14 0.93 -0.28 0.00 -0.47 0.00 0.00 55.73 55.77 1j8h s ARG 230 Cb 0.05 -1.65 -0.10 0.00 -0.57 0.00 0.00 34.95 32.68 1j8h s ARG 230 CO 0.67 -3.16 1.32 0.00 -1.08 0.00 0.00 175.30 173.06 1j8h s ALA 231 N -2.64 3.49 0.08 7.88 0.00 -1.26 -4.91 121.76 124.40 1j8h s ALA 231 Ca 0.67 1.29 -0.34 0.00 0.00 0.00 0.00 51.96 53.58 1j8h s ALA 231 Cb -0.23 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.27 1j8h s ALA 231 CO 0.61 -0.69 1.65 1.17 0.00 0.00 0.00 175.76 178.51 1j8h n LYS 232 N 0.73 2.09 -0.94 0.00 4.81 -1.26 -4.81 118.16 118.78 1j8h n LYS 232 Ca 0.00 0.76 -0.28 0.00 -0.87 0.00 0.00 58.31 57.92 1j8h n LYS 232 Cb 0.42 -2.54 -0.02 0.00 0.02 0.00 0.00 35.03 32.90 1j8h n LYS 232 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1j8h n PRO 233 N 4.33 2.46 -1.99 1.64 -0.02 -1.26 -4.93 135.00 135.23 1j8h n PRO 233 Ca 0.19 -1.70 -0.29 0.00 -2.02 0.00 0.00 63.50 59.68 1j8h n PRO 233 Cb 0.28 -2.60 0.05 0.00 -0.02 0.00 0.00 33.50 31.22 1j8h n PRO 233 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1j8h s VAL 234 N 3.22 3.17 0.31 -1.45 -7.23 -1.26 -1.04 120.40 116.12 1j8h s VAL 234 Ca 0.48 0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 60.63 1j8h s VAL 234 Cb 0.12 -3.36 -0.12 0.00 0.56 0.00 0.00 36.38 33.58 1j8h s VAL 234 CO -0.03 -0.45 1.41 0.41 -0.31 0.00 0.00 175.10 176.13 1j8h n THR 235 N -2.99 1.49 -3.51 5.32 -1.04 -1.20 -4.39 114.28 107.95 1j8h n THR 235 Ca 0.07 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.05 61.62 1j8h n THR 235 Cb 0.58 -1.67 -0.02 0.00 -1.82 0.00 0.00 70.33 67.40 1j8h n THR 235 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8h s GLN 236 N -1.19 0.77 -0.25 -2.82 -2.07 0.28 -4.90 119.66 109.48 1j8h s GLN 236 Ca 0.61 -0.26 -0.10 0.00 -1.82 0.00 0.00 55.36 53.79 1j8h s GLN 236 Cb -0.57 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 31.66 1j8h s GLN 236 CO 0.56 -0.33 0.14 0.42 -1.32 0.00 0.00 175.29 174.76 1j8h s ILE 237 N -2.97 5.06 -0.01 3.63 1.01 -1.26 -0.12 121.20 126.54 1j8h s ILE 237 Ca 0.05 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.85 1j8h s ILE 237 Cb -0.01 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1j8h s ILE 237 CO -0.08 0.33 -0.22 -0.69 0.00 0.00 0.00 174.94 174.27 1j8h s VAL 238 N 1.32 2.38 0.18 2.92 1.01 0.71 -4.97 120.40 123.96 1j8h s VAL 238 Ca 0.06 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 1j8h s VAL 238 Cb -0.15 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.37 1j8h s VAL 238 CO 0.06 0.53 0.48 -0.94 0.00 0.00 0.00 175.10 175.23 1j8h s SER 239 N -0.82 -0.24 0.08 3.32 1.04 -1.26 0.59 113.70 116.41 1j8h s SER 239 Ca 0.11 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1j8h s SER 239 Cb -0.10 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1j8h s SER 239 CO 0.00 -1.00 -0.06 0.00 0.98 0.00 0.00 173.24 173.16 1j8h s ALA 240 N -3.87 0.80 0.25 5.32 0.00 -0.39 -4.86 121.76 119.02 1j8h s ALA 240 Ca 0.09 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1j8h s ALA 240 Cb -0.00 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1j8h s ALA 240 CO -0.05 -0.21 0.20 -1.83 0.00 0.00 0.00 175.76 173.88 1j8h s GLU 241 N -3.31 1.44 -0.17 0.00 -1.05 -1.26 -0.98 118.70 113.36 1j8h s GLU 241 Ca 0.06 -1.77 -0.30 0.00 -0.15 0.00 0.00 54.97 52.81 1j8h s GLU 241 Cb 0.02 0.30 0.13 0.00 -0.44 0.00 0.00 34.13 34.14 1j8h s GLU 241 CO -0.04 -0.50 1.02 0.00 0.95 0.00 0.00 175.26 176.68 1j8h s ALA 242 N -3.86 -1.94 0.19 -0.84 0.00 -0.36 -4.85 121.76 110.09 1j8h s ALA 242 Ca 0.39 1.61 0.07 0.00 0.00 0.00 0.00 51.96 54.03 1j8h s ALA 242 Cb 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1j8h s ALA 242 CO 0.18 -0.30 0.05 -1.58 0.00 0.00 0.00 175.76 174.11 1j8h s TRP 243 N -1.05 2.92 0.73 0.00 0.52 -1.26 -0.62 118.94 120.17 1j8h s TRP 243 Ca -0.01 -0.12 -0.16 0.00 0.02 0.00 0.00 56.10 55.83 1j8h s TRP 243 Cb -0.01 -1.39 -0.01 0.00 -1.15 0.00 0.00 33.47 30.92 1j8h s TRP 243 CO 0.01 0.53 0.82 0.41 0.02 0.00 0.00 176.95 178.74 1j8h n GLY 244 N -0.36 -0.81 2.98 0.98 0.00 -0.51 -4.97 105.19 102.50 1j8h n GLY 244 Ca -0.09 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1j8h n GLY 244 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j8h s ARG 245 N -3.16 1.85 0.00 1.61 3.52 0.39 -4.11 118.95 119.05 1j8h s ARG 245 Ca 0.70 -0.41 0.13 0.00 -0.13 0.00 0.00 55.73 56.03 1j8h s ARG 245 Cb -0.34 -1.71 0.78 0.00 -1.56 0.00 0.00 34.95 32.12 1j8h s ARG 245 CO 0.53 -0.16 1.21 0.00 -0.81 0.00 0.00 175.30 176.07