#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqj s VAL 2 N 0.00 3.95 0.01 6.31 0.11 -1.26 -4.38 120.40 125.14 1dqj s VAL 2 Ca 0.00 1.65 0.02 0.00 -2.93 0.00 0.00 61.98 60.71 1dqj s VAL 2 Cb 0.00 -4.05 -0.01 0.00 -1.53 0.00 0.00 36.38 30.79 1dqj s VAL 2 CO 0.00 0.26 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.88 1dqj s GLN 3 N -0.19 0.40 0.12 1.54 -0.21 0.09 -4.99 119.66 116.42 1dqj s GLN 3 Ca 0.50 -0.30 0.10 0.00 0.02 0.00 0.00 55.36 55.68 1dqj s GLN 3 Cb -0.29 -0.33 -0.04 0.00 1.00 0.00 0.00 33.01 33.36 1dqj s GLN 3 CO 0.34 0.08 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.85 1dqj s LEU 4 N -0.45 2.47 -0.15 2.90 1.02 -1.26 -1.39 118.68 121.82 1dqj s LEU 4 Ca -0.01 -0.66 -0.06 0.00 0.02 0.00 0.00 54.13 53.42 1dqj s LEU 4 Cb -0.04 -1.36 0.07 0.00 0.02 0.00 0.00 46.19 44.88 1dqj s LEU 4 CO -0.00 0.18 0.32 -1.58 0.02 0.00 0.00 176.35 175.30 1dqj s GLN 5 N -2.05 0.23 0.32 1.70 2.00 -0.98 -4.33 119.66 116.56 1dqj s GLN 5 Ca 0.15 0.82 -0.10 0.00 -2.00 0.00 0.00 55.36 54.23 1dqj s GLN 5 Cb -0.10 0.07 -0.07 0.00 0.80 0.00 0.00 33.01 33.71 1dqj s GLN 5 CO 0.07 -0.25 0.67 -1.21 -0.50 0.00 0.00 175.29 174.07 1dqj s GLU 6 N 2.25 3.81 -0.06 1.67 8.01 -1.26 -0.99 118.70 132.14 1dqj s GLU 6 Ca -0.02 0.38 -0.30 0.00 0.01 0.00 0.00 54.97 55.04 1dqj s GLU 6 Cb -0.11 -2.51 0.09 0.00 -4.31 0.00 0.00 34.13 27.29 1dqj s GLU 6 CO -0.10 0.14 0.79 -1.54 0.01 0.00 0.00 175.26 174.55 1dqj s SER 7 N -2.77 -0.53 0.00 -0.19 1.04 -0.18 -4.91 113.70 106.15 1dqj s SER 7 Ca 0.50 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1dqj s SER 7 Cb -0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1dqj s SER 7 CO 0.25 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1dqj n GLY 8 N 0.61 1.49 3.59 7.32 0.00 -1.26 -0.30 105.19 116.64 1dqj n GLY 8 Ca -0.15 -1.64 -0.49 0.00 0.00 0.00 0.00 46.02 43.74 1dqj n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dqj n PRO 9 N -1.66 1.25 0.01 1.61 -0.02 -1.26 -4.87 135.00 130.06 1dqj n PRO 9 Ca 0.00 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1dqj n PRO 9 Cb 0.00 -1.98 0.20 0.00 -0.02 0.00 0.00 33.50 31.71 1dqj n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dqj n SER 10 N 2.10 0.56 -3.89 2.55 3.41 -1.26 -4.82 113.62 112.27 1dqj n SER 10 Ca 0.15 -0.19 -0.23 0.00 -0.26 0.00 0.00 58.87 58.34 1dqj n SER 10 Cb 0.25 0.30 -0.17 0.00 -0.26 0.00 0.00 64.21 64.33 1dqj n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1dqj s LEU 11 N -3.33 1.19 -0.02 1.04 2.96 -1.26 -0.74 118.68 118.51 1dqj s LEU 11 Ca 0.09 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1dqj s LEU 11 Cb 0.16 -0.59 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1dqj s LEU 11 CO 0.72 -0.08 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.80 1dqj s VAL 12 N 1.27 1.41 0.27 1.68 1.01 -0.55 -4.97 120.40 120.53 1dqj s VAL 12 Ca -0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1dqj s VAL 12 Cb -0.14 -1.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 1dqj s VAL 12 CO -0.02 0.40 0.70 -0.54 0.00 0.00 0.00 175.10 175.64 1dqj s LYS 13 N -0.26 4.05 0.35 2.72 1.02 -1.26 -1.70 119.74 124.67 1dqj s LYS 13 Ca 0.03 0.68 -0.25 0.00 0.02 0.00 0.00 55.97 56.44 1dqj s LYS 13 Cb -0.08 -2.62 -0.13 0.00 -0.52 0.00 0.00 37.83 34.48 1dqj s LYS 13 CO 0.00 0.26 0.84 -2.30 -0.92 0.00 0.00 175.35 173.24 1dqj n PRO 14 N 0.05 1.03 0.00 -1.68 -0.02 -1.26 -1.09 135.00 132.03 1dqj n PRO 14 Ca 0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1dqj n PRO 14 Cb 0.52 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1dqj n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dqj n SER 15 N 1.10 0.00 -3.68 2.55 3.41 0.76 -4.91 113.62 112.84 1dqj n SER 15 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.50 1dqj n SER 15 Cb 0.35 -0.08 0.14 0.00 -0.26 0.00 0.00 64.21 64.36 1dqj n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dqj n GLN 16 N -1.94 -0.63 -3.98 4.33 1.13 -0.25 -3.70 117.38 112.35 1dqj n GLN 16 Ca 0.00 -1.81 -0.35 0.00 -1.94 0.00 0.00 57.00 52.90 1dqj n GLN 16 Cb 0.00 -0.87 -0.08 0.00 0.11 0.00 0.00 30.24 29.40 1dqj n GLN 16 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1dqj s THR 17 N -2.95 5.03 -0.21 5.09 2.01 -1.26 -2.19 115.64 121.16 1dqj s THR 17 Ca 0.57 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.47 1dqj s THR 17 Cb -0.02 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1dqj s THR 17 CO 0.39 0.53 0.31 -0.22 -0.69 0.00 0.00 174.62 174.94 1dqj s LEU 18 N -0.23 4.16 -0.08 4.42 0.20 0.24 -4.94 118.68 122.45 1dqj s LEU 18 Ca 0.09 0.39 0.02 0.00 0.69 0.00 0.00 54.13 55.33 1dqj s LEU 18 Cb -0.12 -2.37 0.01 0.00 -0.43 0.00 0.00 46.19 43.29 1dqj s LEU 18 CO 0.01 -0.01 -0.14 -0.44 -0.29 0.00 0.00 176.35 175.49 1dqj s SER 19 N 0.95 2.03 0.07 3.68 0.01 -1.26 -0.69 113.70 118.49 1dqj s SER 19 Ca 0.15 -0.34 0.05 0.00 1.31 0.00 0.00 55.95 57.12 1dqj s SER 19 Cb -0.14 -0.93 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 1dqj s SER 19 CO 0.06 0.04 -0.14 -0.76 0.41 0.00 0.00 173.24 172.84 1dqj s LEU 20 N 0.73 2.28 -0.02 2.44 1.43 -0.45 -4.13 118.68 120.96 1dqj s LEU 20 Ca -0.13 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.42 1dqj s LEU 20 Cb -0.16 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 1dqj s LEU 20 CO 0.03 -0.08 -0.24 -0.89 0.23 0.00 0.00 176.35 175.40 1dqj s THR 21 N -1.31 2.22 -0.21 5.49 2.01 0.59 -1.69 115.64 122.74 1dqj s THR 21 Ca -0.02 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1dqj s THR 21 Cb -0.10 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.67 1dqj s THR 21 CO 0.02 0.58 -0.14 0.00 -0.69 0.00 0.00 174.62 174.39 1dqj s SER 23 N 1.28 6.57 -0.20 0.00 0.01 -0.16 -1.75 113.70 119.44 1dqj s SER 23 Ca -0.01 0.68 -0.09 0.00 1.31 0.00 0.00 55.95 57.83 1dqj s SER 23 Cb -0.16 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 1dqj s SER 23 CO -0.09 -0.14 0.10 -0.69 0.41 0.00 0.00 173.24 172.83 1dqj s VAL 24 N 1.45 5.11 0.05 3.43 1.01 -0.63 -2.33 120.40 128.49 1dqj s VAL 24 Ca 0.24 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1dqj s VAL 24 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1dqj s VAL 24 CO 0.10 0.43 -0.15 0.42 0.00 0.00 0.00 175.10 175.90 1dqj s THR 25 N 0.51 1.17 0.00 3.92 -4.23 -0.49 -4.81 115.64 111.70 1dqj s THR 25 Ca 0.06 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1dqj s THR 25 Cb -0.12 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1dqj s THR 25 CO 0.00 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1dqj n GLY 26 N 1.73 3.03 3.32 3.99 0.00 -1.26 -0.73 105.19 115.27 1dqj n GLY 26 Ca -0.19 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1dqj n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dqj s ASP 27 N 0.00 1.80 0.36 1.61 2.15 -1.26 -4.84 116.67 116.48 1dqj s ASP 27 Ca 0.00 -1.21 -0.25 0.00 0.43 0.00 0.00 52.55 51.51 1dqj s ASP 27 Cb 0.00 0.01 -0.09 0.00 -0.30 0.00 0.00 42.92 42.54 1dqj s ASP 27 CO 0.00 -0.51 1.02 -0.55 -0.17 0.00 0.00 175.17 174.96 1dqj s SER 28 N -3.30 7.01 0.00 -0.34 0.15 -1.26 -4.92 113.70 111.05 1dqj s SER 28 Ca 0.28 2.01 0.18 0.00 0.70 0.00 0.00 55.95 59.12 1dqj s SER 28 Cb 0.06 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.70 1dqj s SER 28 CO 0.08 -0.31 1.53 0.55 1.20 0.00 0.00 173.24 176.29 1dqj n VAL 29 N 0.31 0.42 0.45 4.45 3.14 -1.26 -1.45 118.33 124.38 1dqj n VAL 29 Ca 0.03 0.10 0.11 0.00 -2.96 0.00 0.00 64.34 61.63 1dqj n VAL 29 Cb 0.49 -0.81 0.18 0.00 -1.06 0.00 0.00 33.84 32.64 1dqj n VAL 29 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1dqj n THR 30 N -1.25 0.38 -2.18 1.55 -2.24 -1.26 -4.49 114.28 104.79 1dqj n THR 30 Ca 0.09 -0.69 -0.27 0.00 -2.27 0.00 0.00 64.05 60.91 1dqj n THR 30 Cb 0.13 1.10 0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1dqj n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1dqj n SER 31 N 1.41 5.16 0.00 3.42 7.64 -0.53 -4.92 113.62 125.79 1dqj n SER 31 Ca 0.17 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.31 1dqj n SER 31 Cb 0.59 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1dqj n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1dqj n ASP 32 N -0.61 0.00 -4.88 6.43 4.64 -1.26 -4.90 116.55 115.98 1dqj n ASP 32 Ca 0.43 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.50 1dqj n ASP 32 Cb 0.77 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.79 1dqj n ASP 32 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1dqj s TYR 33 N -2.00 3.57 0.01 -0.67 1.51 -1.26 -4.51 117.35 114.00 1dqj s TYR 33 Ca 0.00 0.70 0.07 0.00 -1.01 0.00 0.00 57.07 56.83 1dqj s TYR 33 Cb 0.00 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1dqj s TYR 33 CO 0.00 0.54 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.20 1dqj s TRP 34 N -1.40 1.77 0.33 2.71 0.52 -0.63 -1.04 118.94 121.21 1dqj s TRP 34 Ca 0.32 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 56.12 1dqj s TRP 34 Cb -0.14 -1.10 -0.05 0.00 -1.15 0.00 0.00 33.47 31.03 1dqj s TRP 34 CO 0.18 0.03 0.08 -1.54 0.02 0.00 0.00 176.95 175.72 1dqj s SER 35 N -0.80 2.16 -0.07 2.95 1.04 0.57 -0.69 113.70 118.86 1dqj s SER 35 Ca 0.07 -1.44 0.01 0.00 0.48 0.00 0.00 55.95 55.08 1dqj s SER 35 Cb -0.08 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1dqj s SER 35 CO 0.00 -0.71 -0.10 0.26 0.98 0.00 0.00 173.24 173.68 1dqj s TRP 36 N -3.39 1.37 0.00 5.02 0.52 -0.76 -1.75 118.94 119.96 1dqj s TRP 36 Ca 0.34 -0.55 0.05 0.00 0.02 0.00 0.00 56.10 55.97 1dqj s TRP 36 Cb 0.07 -1.06 -0.02 0.00 -1.15 0.00 0.00 33.47 31.32 1dqj s TRP 36 CO 0.15 -0.33 -0.17 0.42 0.02 0.00 0.00 176.95 177.04 1dqj s ILE 37 N 0.96 1.34 0.06 2.03 1.09 0.52 -1.45 121.20 125.75 1dqj s ILE 37 Ca -0.09 -0.83 0.07 0.00 -1.10 0.00 0.00 60.65 58.71 1dqj s ILE 37 Cb -0.15 -1.14 -0.03 0.00 -1.06 0.00 0.00 42.46 40.09 1dqj s ILE 37 CO 0.00 0.30 -0.20 0.00 -0.10 0.00 0.00 174.94 174.93 1dqj s ARG 38 N -0.61 1.30 -0.25 2.79 1.70 -0.54 0.14 118.95 123.47 1dqj s ARG 38 Ca 0.06 -0.99 0.03 0.00 -0.47 0.00 0.00 55.73 54.35 1dqj s ARG 38 Cb -0.07 -1.45 0.06 0.00 -0.57 0.00 0.00 34.95 32.92 1dqj s ARG 38 CO -0.00 0.36 -0.10 0.21 -1.08 0.00 0.00 175.30 174.69 1dqj s LYS 39 N -1.37 2.13 0.87 3.89 2.20 0.32 -1.04 119.74 126.74 1dqj s LYS 39 Ca 0.07 -1.27 -0.11 0.00 -0.36 0.00 0.00 55.97 54.30 1dqj s LYS 39 Cb -0.09 -2.82 0.11 0.00 -1.51 0.00 0.00 37.83 33.52 1dqj s LYS 39 CO 0.02 -0.57 1.09 -0.06 -0.36 0.00 0.00 175.35 175.48 1dqj s PHE 40 N 1.16 2.29 0.30 4.03 0.08 -0.72 -1.39 117.98 123.73 1dqj s PHE 40 Ca -0.08 1.39 0.05 0.00 0.12 0.00 0.00 56.93 58.42 1dqj s PHE 40 Cb -0.20 -3.14 0.75 0.00 -0.57 0.00 0.00 43.02 39.86 1dqj s PHE 40 CO -0.05 -2.31 1.74 -1.35 -0.10 0.00 0.00 175.22 173.15 1dqj h PRO 41 N -1.50 0.60 0.00 0.24 0.11 -1.91 0.31 132.00 129.86 1dqj h PRO 41 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1dqj h PRO 41 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1dqj h PRO 41 CO 0.52 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 1dqj n GLY 42 N -1.32 -0.68 1.10 -0.55 0.00 -1.26 -4.84 105.19 97.63 1dqj n GLY 42 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1dqj n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dqj n ASN 43 N -1.41 0.00 -4.77 1.61 3.02 0.11 -5.07 115.26 108.75 1dqj n ASN 43 Ca 0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.20 1dqj n ASN 43 Cb 0.08 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 1dqj n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1dqj s LYS 44 N -0.63 4.02 -0.03 3.52 1.02 -1.26 -4.75 119.74 121.63 1dqj s LYS 44 Ca 0.00 1.71 -0.02 0.00 0.02 0.00 0.00 55.97 57.68 1dqj s LYS 44 Cb 0.00 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1dqj s LYS 44 CO 0.00 -0.31 0.09 -0.51 -0.92 0.00 0.00 175.35 173.70 1dqj s LEU 45 N -2.67 4.00 -0.06 3.17 1.43 -1.26 -1.76 118.68 121.52 1dqj s LEU 45 Ca 0.59 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1dqj s LEU 45 Cb -0.27 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1dqj s LEU 45 CO 0.34 0.30 -0.06 -0.70 0.23 0.00 0.00 176.35 176.47 1dqj s GLU 46 N -1.55 1.07 -0.62 1.70 2.12 -0.21 -5.01 118.70 116.20 1dqj s GLU 46 Ca 0.21 -0.15 -0.24 0.00 0.36 0.00 0.00 54.97 55.15 1dqj s GLU 46 Cb -0.12 -1.09 0.05 0.00 0.26 0.00 0.00 34.13 33.24 1dqj s GLU 46 CO 0.12 -0.13 0.99 -0.47 -0.54 0.00 0.00 175.26 175.23 1dqj s TYR 47 N 1.16 2.68 0.17 5.30 5.04 -1.26 -1.47 117.35 128.97 1dqj s TYR 47 Ca -0.07 -0.29 -0.10 0.00 -2.44 0.00 0.00 57.07 54.17 1dqj s TYR 47 Cb -0.14 -4.24 0.03 0.00 0.35 0.00 0.00 41.96 37.96 1dqj s TYR 47 CO -0.01 -1.58 1.59 0.52 -1.34 0.00 0.00 175.55 174.73 1dqj h MET 48 N 9.51 1.03 0.00 4.97 2.86 -1.62 -3.41 114.93 128.28 1dqj h MET 48 Ca -0.28 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 1dqj h MET 48 Cb 1.07 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1dqj h MET 48 CO 1.15 1.07 0.00 0.41 1.06 0.00 0.00 176.91 180.61 1dqj n GLY 49 N -0.26 -2.60 3.42 8.32 0.00 -1.20 -1.60 105.19 111.27 1dqj n GLY 49 Ca 0.01 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1dqj n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqj s TYR 50 N -2.17 -0.14 -0.10 1.61 -0.85 -0.72 -1.83 117.35 113.14 1dqj s TYR 50 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 1dqj s TYR 50 Cb 0.00 0.31 0.01 0.00 0.38 0.00 0.00 41.96 42.66 1dqj s TYR 50 CO 0.00 -0.81 -0.16 -1.50 -1.52 0.00 0.00 175.55 171.56 1dqj s ILE 51 N -3.85 1.52 0.48 -3.49 2.07 0.14 -1.87 121.20 116.21 1dqj s ILE 51 Ca 0.07 -0.67 0.09 0.00 -1.41 0.00 0.00 60.65 58.73 1dqj s ILE 51 Cb 0.01 -1.38 0.04 0.00 0.13 0.00 0.00 42.46 41.26 1dqj s ILE 51 CO -0.07 0.44 0.66 -0.94 -1.91 0.00 0.00 174.94 173.12 1dqj s SER 52 N 0.88 5.41 0.34 4.50 1.04 -0.70 -1.60 113.70 123.57 1dqj s SER 52 Ca -0.09 -0.61 0.13 0.00 0.48 0.00 0.00 55.95 55.86 1dqj s SER 52 Cb -0.15 -0.25 1.06 0.00 0.10 0.00 0.00 66.02 66.78 1dqj s SER 52 CO 0.00 -1.00 1.63 0.10 0.98 0.00 0.00 173.24 174.94 1dqj h TYR 53 N 0.46 0.69 0.00 5.02 -0.00 -1.89 0.24 116.97 121.49 1dqj h TYR 53 Ca -0.36 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.42 1dqj h TYR 53 Cb 1.28 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 37.87 1dqj h TYR 53 CO 0.42 -0.30 0.00 -1.13 -0.00 0.00 0.00 178.16 177.15 1dqj n SER 54 N -5.19 0.00 0.00 0.10 3.41 -1.26 -4.85 113.62 105.83 1dqj n SER 54 Ca 0.31 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1dqj n SER 54 Cb 1.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1dqj n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqj n GLY 55 N 0.60 0.55 3.77 5.00 0.00 0.85 -5.05 105.19 110.91 1dqj n GLY 55 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1dqj n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dqj s SER 56 N -2.61 6.84 0.21 1.61 1.04 -1.25 -4.77 113.70 114.77 1dqj s SER 56 Ca 0.00 2.52 0.11 0.00 0.48 0.00 0.00 55.95 59.06 1dqj s SER 56 Cb 0.00 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 1dqj s SER 56 CO 0.00 -0.47 -0.22 0.42 0.98 0.00 0.00 173.24 173.95 1dqj s THR 57 N -1.20 2.43 -0.09 2.02 -4.23 -1.26 -1.72 115.64 111.59 1dqj s THR 57 Ca 0.49 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1dqj s THR 57 Cb -0.36 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.31 1dqj s THR 57 CO 0.47 -0.18 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.95 1dqj s TYR 58 N -1.87 1.56 0.04 3.99 2.02 -0.78 -5.01 117.35 117.30 1dqj s TYR 58 Ca 0.23 -0.69 0.09 0.00 -0.37 0.00 0.00 57.07 56.33 1dqj s TYR 58 Cb -0.07 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1dqj s TYR 58 CO 0.11 -0.40 -0.25 0.71 -1.57 0.00 0.00 175.55 174.15 1dqj s TYR 59 N 1.10 2.37 0.10 2.71 2.02 -1.26 -1.76 117.35 122.63 1dqj s TYR 59 Ca -0.06 -0.38 -0.31 0.00 -0.37 0.00 0.00 57.07 55.95 1dqj s TYR 59 Cb -0.14 -1.42 -0.08 0.00 -0.40 0.00 0.00 41.96 39.92 1dqj s TYR 59 CO -0.02 0.13 1.50 -1.58 -1.57 0.00 0.00 175.55 174.02 1dqj s HIS 60 N -0.81 2.94 0.27 2.71 2.46 -0.63 -4.81 115.29 117.43 1dqj s HIS 60 Ca 0.12 0.70 -0.04 0.00 0.47 0.00 0.00 55.06 56.31 1dqj s HIS 60 Cb -0.10 -3.81 0.36 0.00 -0.13 0.00 0.00 32.58 28.90 1dqj s HIS 60 CO 0.02 -3.01 1.92 -1.00 -2.47 0.00 0.00 174.74 170.20 1dqj h PRO 61 N 7.33 1.20 -2.58 2.88 0.13 -1.93 0.90 132.00 139.93 1dqj h PRO 61 Ca -0.42 -0.07 -0.38 0.00 -0.87 0.00 0.00 66.00 64.26 1dqj h PRO 61 Cb 1.20 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1dqj h PRO 61 CO 0.90 0.80 1.58 0.43 -0.23 0.00 0.00 178.00 181.48 1dqj n SER 62 N -4.42 6.29 0.00 1.44 7.64 -1.26 -2.64 113.62 120.66 1dqj n SER 62 Ca 0.12 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1dqj n SER 62 Cb 0.07 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1dqj n SER 62 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1dqj n LEU 63 N 3.11 0.00 -0.89 -3.43 7.94 -1.10 -5.15 117.00 117.49 1dqj n LEU 63 Ca 0.55 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.34 1dqj n LEU 63 Cb 0.53 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.47 1dqj n LEU 63 CO 0.47 0.00 0.02 1.17 -1.11 0.00 0.00 177.39 177.94 1dqj n LYS 64 N 0.00 0.00 0.00 1.96 3.00 0.31 -2.77 118.16 120.66 1dqj n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1dqj n LYS 64 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 34.81 1dqj n LYS 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1dqj n SER 65 N 0.38 0.00 0.15 3.14 2.88 -1.26 -4.78 113.62 114.13 1dqj n SER 65 Ca 0.04 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.68 1dqj n SER 65 Cb 0.04 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.57 1dqj n SER 65 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1dqj h ARG 66 N 0.00 0.00 -5.95 -1.46 3.08 -1.87 -3.47 114.38 104.71 1dqj h ARG 66 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1dqj h ARG 66 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1dqj h ARG 66 CO 0.00 0.05 -0.39 -1.50 -1.07 0.00 0.00 179.97 177.06 1dqj s ILE 67 N -3.24 5.29 -0.09 2.04 2.07 -1.26 -1.28 121.20 124.72 1dqj s ILE 67 Ca 0.03 0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.26 1dqj s ILE 67 Cb 0.07 -3.59 0.03 0.00 0.13 0.00 0.00 42.46 39.11 1dqj s ILE 67 CO 0.74 0.27 0.23 -0.55 -1.91 0.00 0.00 174.94 173.72 1dqj s SER 68 N -1.96 -0.24 -0.10 4.50 0.15 -0.52 -5.00 113.70 110.53 1dqj s SER 68 Ca 0.31 0.48 0.02 0.00 0.70 0.00 0.00 55.95 57.46 1dqj s SER 68 Cb -0.13 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1dqj s SER 68 CO 0.19 -0.12 -0.17 -0.63 1.20 0.00 0.00 173.24 173.71 1dqj s ILE 69 N 0.71 1.62 0.23 6.45 1.01 -1.26 -1.31 121.20 128.65 1dqj s ILE 69 Ca -0.05 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1dqj s ILE 69 Cb -0.06 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 1dqj s ILE 69 CO -0.04 0.46 0.09 0.42 0.00 0.00 0.00 174.94 175.87 1dqj s THR 70 N 0.74 0.47 0.05 2.92 -4.23 -1.06 -4.97 115.64 109.56 1dqj s THR 70 Ca -0.12 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1dqj s THR 70 Cb -0.16 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1dqj s THR 70 CO 0.02 -0.08 -0.00 0.00 -0.54 0.00 0.00 174.62 174.02 1dqj s ARG 71 N -4.04 0.63 -0.27 3.99 1.70 -1.26 0.13 118.95 119.84 1dqj s ARG 71 Ca 0.36 -1.17 -0.01 0.00 -0.47 0.00 0.00 55.73 54.44 1dqj s ARG 71 Cb 0.07 0.23 0.08 0.00 -0.57 0.00 0.00 34.95 34.76 1dqj s ARG 71 CO 0.12 -0.13 0.05 0.34 -1.08 0.00 0.00 175.30 174.60 1dqj s ASP 72 N -2.88 3.72 0.39 -2.89 -1.08 0.35 -4.97 116.67 109.32 1dqj s ASP 72 Ca 0.06 -1.36 0.07 0.00 -0.52 0.00 0.00 52.55 50.81 1dqj s ASP 72 Cb 0.07 -0.87 0.78 0.00 -1.46 0.00 0.00 42.92 41.44 1dqj s ASP 72 CO -0.10 -0.35 1.97 0.74 0.52 0.00 0.00 175.17 177.94 1dqj h THR 73 N 6.53 1.15 0.00 1.71 2.02 -1.97 0.12 112.91 122.47 1dqj h THR 73 Ca -0.15 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 1dqj h THR 73 Cb 1.05 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1dqj h THR 73 CO 0.43 0.19 -0.49 0.77 0.37 0.00 0.00 175.52 176.79 1dqj h SER 74 N 0.43 0.00 0.00 4.18 4.64 -1.95 -3.08 113.55 117.77 1dqj h SER 74 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1dqj h SER 74 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1dqj h SER 74 CO -0.00 0.49 -1.07 0.29 -0.87 0.00 0.00 176.83 175.66 1dqj n LYS 75 N -3.68 0.22 -3.48 4.77 5.02 -1.06 -5.00 118.16 114.96 1dqj n LYS 75 Ca -0.01 -0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.08 1dqj n LYS 75 Cb 0.55 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1dqj n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1dqj n ASN 76 N -1.56 -2.62 -4.12 4.39 5.15 0.38 -4.83 115.26 112.05 1dqj n ASN 76 Ca 0.03 -0.70 -0.09 0.00 -0.60 0.00 0.00 54.58 53.23 1dqj n ASN 76 Cb 0.34 -4.82 -0.10 0.00 -0.53 0.00 0.00 39.78 34.67 1dqj n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1dqj s GLN 77 N -5.39 0.81 0.07 1.20 -0.21 -1.02 -1.61 119.66 113.50 1dqj s GLN 77 Ca 0.09 -1.34 0.01 0.00 0.02 0.00 0.00 55.36 54.13 1dqj s GLN 77 Cb -0.01 0.23 -0.04 0.00 1.00 0.00 0.00 33.01 34.19 1dqj s GLN 77 CO 0.76 -0.21 -0.05 1.52 -2.12 0.00 0.00 175.29 175.19 1dqj s TYR 78 N -4.00 0.67 0.30 0.91 1.13 -0.72 -0.49 117.35 115.15 1dqj s TYR 78 Ca 0.17 -0.88 0.04 0.00 -1.41 0.00 0.00 57.07 54.99 1dqj s TYR 78 Cb 0.08 -0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 40.45 1dqj s TYR 78 CO -0.03 -0.23 0.03 0.71 -2.51 0.00 0.00 175.55 173.52 1dqj s TYR 79 N -3.25 1.86 -0.05 -3.49 1.51 0.35 -0.86 117.35 113.42 1dqj s TYR 79 Ca 0.05 -0.93 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 1dqj s TYR 79 Cb 0.03 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1dqj s TYR 79 CO -0.06 0.02 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.15 1dqj s LEU 80 N -3.44 1.54 -0.07 -1.29 2.96 -0.68 -2.56 118.68 115.14 1dqj s LEU 80 Ca 0.34 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1dqj s LEU 80 Cb 0.07 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 46.15 1dqj s LEU 80 CO 0.14 0.00 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.45 1dqj s GLN 81 N 0.69 1.88 -0.19 1.98 0.74 -0.42 -1.34 119.66 122.99 1dqj s GLN 81 Ca -0.12 -0.47 -0.02 0.00 0.05 0.00 0.00 55.36 54.80 1dqj s GLN 81 Cb -0.14 -1.53 0.06 0.00 1.10 0.00 0.00 33.01 32.50 1dqj s GLN 81 CO 0.02 0.04 0.02 -1.17 -0.55 0.00 0.00 175.29 173.65 1dqj s LEU 82 N 0.64 1.32 0.72 3.68 2.96 0.13 -1.43 118.68 126.70 1dqj s LEU 82 Ca -0.15 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.83 1dqj s LEU 82 Cb -0.16 -0.66 0.03 0.00 0.50 0.00 0.00 46.19 45.89 1dqj s LEU 82 CO 0.04 -0.29 1.11 0.20 -1.32 0.00 0.00 176.35 176.09 1dqj s ASN 83 N 1.80 5.28 -1.31 3.68 0.01 -0.40 -0.59 114.94 123.41 1dqj s ASN 83 Ca -0.01 1.05 -0.25 0.00 -0.71 0.00 0.00 52.86 52.94 1dqj s ASN 83 Cb -0.17 -1.80 0.04 0.00 0.41 0.00 0.00 41.25 39.73 1dqj s ASN 83 CO -0.08 -1.44 0.48 -1.20 -1.51 0.00 0.00 177.10 173.36 1dqj n SER 84 N -3.05 -2.61 -4.79 -1.22 7.64 -1.10 -4.91 113.62 103.58 1dqj n SER 84 Ca 0.07 -1.30 -0.31 0.00 1.01 0.00 0.00 58.87 58.35 1dqj n SER 84 Cb 0.58 -1.57 0.08 0.00 -1.01 0.00 0.00 64.21 62.29 1dqj n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1dqj s VAL 85 N -3.78 3.43 0.22 0.44 -7.23 -0.93 -4.61 120.40 107.93 1dqj s VAL 85 Ca 0.35 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 1dqj s VAL 85 Cb -0.20 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.58 1dqj s VAL 85 CO 0.98 -0.61 0.09 0.42 -0.31 0.00 0.00 175.10 175.68 1dqj s THR 86 N -3.03 0.34 0.53 5.32 -4.23 -1.26 -0.17 115.64 113.14 1dqj s THR 86 Ca 0.60 -1.99 0.35 0.00 -1.18 0.00 0.00 61.69 59.47 1dqj s THR 86 Cb -0.15 -2.47 0.54 0.00 1.34 0.00 0.00 72.50 71.75 1dqj s THR 86 CO 0.55 -0.10 1.80 0.71 -0.54 0.00 0.00 174.62 177.04 1dqj h THR 87 N 2.55 0.41 0.00 3.99 1.35 -1.98 0.12 112.91 119.36 1dqj h THR 87 Ca -0.37 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1dqj h THR 87 Cb 1.24 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1dqj h THR 87 CO 0.58 0.01 0.00 -0.62 -0.25 0.00 0.00 175.52 175.24 1dqj n GLU 88 N -4.22 0.07 -0.13 4.72 4.71 -1.26 -1.34 120.64 123.19 1dqj n GLU 88 Ca 0.26 0.46 0.10 0.00 -0.01 0.00 0.00 57.16 57.97 1dqj n GLU 88 Cb 1.22 -1.69 0.30 0.00 -1.01 0.00 0.00 31.44 30.26 1dqj n GLU 88 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1dqj n ASP 89 N -1.84 2.01 -4.70 1.62 8.00 0.43 -4.86 116.55 117.21 1dqj n ASP 89 Ca 0.01 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.27 1dqj n ASP 89 Cb 0.09 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1dqj n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dqj s THR 90 N -1.67 3.49 -0.04 -3.53 2.01 -0.45 -4.81 115.64 110.65 1dqj s THR 90 Ca 0.32 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 62.99 1dqj s THR 90 Cb 0.17 -3.62 0.10 0.00 0.01 0.00 0.00 72.50 69.16 1dqj s THR 90 CO 0.25 0.02 1.31 0.00 -0.69 0.00 0.00 174.62 175.52 1dqj s ALA 91 N 1.99 -2.53 -0.24 7.40 0.00 -0.76 -4.37 121.76 123.27 1dqj s ALA 91 Ca 0.65 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1dqj s ALA 91 Cb -0.34 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1dqj s ALA 91 CO 0.28 -1.14 0.21 0.99 0.00 0.00 0.00 175.76 176.10 1dqj s THR 92 N -2.06 5.32 -0.13 0.00 2.01 -0.49 -1.14 115.64 119.16 1dqj s THR 92 Ca 0.28 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 1dqj s THR 92 Cb 0.01 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1dqj s THR 92 CO -0.02 0.32 0.03 -0.31 -0.69 0.00 0.00 174.62 173.95 1dqj s TYR 93 N 1.16 3.21 0.06 4.92 1.51 0.51 -0.52 117.35 128.20 1dqj s TYR 93 Ca 0.10 0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.33 1dqj s TYR 93 Cb -0.14 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1dqj s TYR 93 CO 0.05 0.32 -0.19 0.71 -1.11 0.00 0.00 175.55 175.34 1dqj s TYR 94 N -0.31 1.62 -0.00 2.71 2.02 0.12 -0.70 117.35 122.80 1dqj s TYR 94 Ca 0.07 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1dqj s TYR 94 Cb -0.12 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 1dqj s TYR 94 CO 0.02 0.11 -0.07 0.00 -1.57 0.00 0.00 175.55 174.04 1dqj s ALA 96 N -0.98 -0.59 0.62 0.00 0.00 -0.71 -1.10 121.76 118.99 1dqj s ALA 96 Ca 0.17 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 1dqj s ALA 96 Cb -0.11 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1dqj s ALA 96 CO 0.07 -0.55 1.07 -1.54 0.00 0.00 0.00 175.76 174.82 1dqj s SER 97 N -2.70 5.53 0.39 0.00 1.04 -0.35 -0.31 113.70 117.29 1dqj s SER 97 Ca 0.02 1.86 0.08 0.00 0.48 0.00 0.00 55.95 58.39 1dqj s SER 97 Cb 0.03 -2.54 0.84 0.00 0.10 0.00 0.00 66.02 64.45 1dqj s SER 97 CO -0.10 -1.34 1.97 -0.25 0.98 0.00 0.00 173.24 174.50 1dqj h TRP 98 N 0.21 0.65 0.00 5.02 7.01 -1.40 -0.07 115.95 127.37 1dqj h TRP 98 Ca -0.47 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.55 1dqj h TRP 98 Cb 1.23 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1dqj h TRP 98 CO 0.58 0.34 0.00 0.78 -2.79 0.00 0.00 178.44 177.34 1dqj h GLY 99 N 0.64 0.00 0.00 2.65 0.00 -1.91 -3.47 103.07 100.98 1dqj h GLY 99 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1dqj h GLY 99 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1dqj n GLY 100 N 0.17 0.69 0.19 4.60 0.00 -0.04 -4.90 105.19 105.91 1dqj n GLY 100 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1dqj n GLY 100 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1dqj h ASP 101 N 0.00 0.00 -3.73 1.61 -0.00 -1.91 -3.45 116.42 108.95 1dqj h ASP 101 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.56 1dqj h ASP 101 Cb 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 39.33 39.03 1dqj h ASP 101 CO 0.00 0.21 -0.80 0.54 -0.00 0.00 0.00 179.24 179.19 1dqj s VAL 102 N -3.19 0.97 0.04 4.15 0.11 -1.26 -5.03 120.40 116.19 1dqj s VAL 102 Ca 0.05 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 1dqj s VAL 102 Cb 0.07 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1dqj s VAL 102 CO 0.69 0.30 -0.08 0.26 -3.33 0.00 0.00 175.10 172.94 1dqj s TRP 103 N 0.31 0.71 0.83 1.54 0.52 -1.26 -1.22 118.94 120.38 1dqj s TRP 103 Ca -0.06 -0.42 -0.12 0.00 0.02 0.00 0.00 56.10 55.52 1dqj s TRP 103 Cb -0.11 -0.42 0.09 0.00 -1.15 0.00 0.00 33.47 31.88 1dqj s TRP 103 CO 0.01 -0.05 1.17 0.20 0.02 0.00 0.00 176.95 178.31 1dqj s GLY 104 N -1.32 1.59 0.49 0.98 0.00 -0.26 -4.58 107.32 104.23 1dqj s GLY 104 Ca -0.07 -0.64 0.32 0.00 0.00 0.00 0.00 44.72 44.33 1dqj s GLY 104 CO 0.00 -0.13 1.93 0.00 0.00 0.00 0.00 173.10 174.91 1dqj h ALA 105 N -1.16 1.00 0.00 3.20 0.00 -1.91 -3.45 119.26 116.94 1dqj h ALA 105 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1dqj h ALA 105 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1dqj h ALA 105 CO 0.64 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1dqj n GLY 106 N 0.02 0.39 2.82 0.00 0.00 -1.26 -5.04 105.19 102.12 1dqj n GLY 106 Ca 0.01 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 1dqj n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dqj s THR 107 N -2.74 -0.01 -0.09 2.61 -1.32 0.12 -4.91 115.64 109.30 1dqj s THR 107 Ca 0.00 0.10 -0.27 0.00 -1.21 0.00 0.00 61.69 60.31 1dqj s THR 107 Cb 0.00 -0.07 -0.02 0.00 -1.51 0.00 0.00 72.50 70.90 1dqj s THR 107 CO 0.00 0.05 0.87 -0.89 -2.21 0.00 0.00 174.62 172.44 1dqj s THR 108 N 0.56 4.90 -0.15 5.08 2.01 -1.26 -0.37 115.64 126.41 1dqj s THR 108 Ca -0.05 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.74 1dqj s THR 108 Cb -0.07 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1dqj s THR 108 CO -0.02 0.11 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.13 1dqj s VAL 109 N 1.52 2.20 -0.15 3.82 1.01 -0.29 -4.60 120.40 123.91 1dqj s VAL 109 Ca 0.43 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1dqj s VAL 109 Cb -0.18 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1dqj s VAL 109 CO 0.19 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.87 1dqj s THR 110 N 0.91 3.61 -0.33 3.92 2.01 0.08 -1.82 115.64 124.01 1dqj s THR 110 Ca -0.04 -0.46 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 1dqj s THR 110 Cb -0.15 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1dqj s THR 110 CO -0.04 0.50 0.25 -0.69 -0.69 0.00 0.00 174.62 173.96 1dqj s VAL 111 N 0.36 5.27 -0.11 3.82 1.01 -1.26 -1.48 120.40 128.02 1dqj s VAL 111 Ca -0.06 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1dqj s VAL 111 Cb -0.15 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.61 1dqj s VAL 111 CO 0.04 0.01 0.77 -0.55 0.00 0.00 0.00 175.10 175.37 1dqj s SER 112 N 1.73 -0.60 0.00 3.32 0.15 -0.69 -4.43 113.70 113.18 1dqj s SER 112 Ca 0.07 0.74 0.25 0.00 0.70 0.00 0.00 55.95 57.71 1dqj s SER 112 Cb -0.17 0.61 0.41 0.00 -1.71 0.00 0.00 66.02 65.16 1dqj s SER 112 CO 0.11 -0.49 1.39 -1.54 1.20 0.00 0.00 173.24 173.91 1dqj n SER 113 N 1.14 2.61 -4.72 5.45 3.41 -1.26 -4.21 113.62 116.05 1dqj n SER 113 Ca -0.16 -1.87 -0.34 0.00 -0.26 0.00 0.00 58.87 56.24 1dqj n SER 113 Cb 0.57 -0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.62 1dqj n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dqj s ALA 114 N -2.00 2.07 0.21 7.33 0.00 -1.26 -5.04 121.76 123.08 1dqj s ALA 114 Ca 0.31 0.85 0.07 0.00 0.00 0.00 0.00 51.96 53.19 1dqj s ALA 114 Cb 0.20 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1dqj s ALA 114 CO 0.31 -1.94 0.10 0.15 0.00 0.00 0.00 175.76 174.38 1dqj s LYS 115 N -3.98 2.69 0.11 0.00 1.02 -1.26 -5.05 119.74 113.27 1dqj s LYS 115 Ca 0.74 -1.08 -0.36 0.00 0.02 0.00 0.00 55.97 55.29 1dqj s LYS 115 Cb -0.29 -2.47 -0.16 0.00 -0.52 0.00 0.00 37.83 34.40 1dqj s LYS 115 CO 0.46 0.43 1.42 2.41 -0.92 0.00 0.00 175.35 179.15 1dqj n THR 116 N -0.66 0.00 -3.68 2.17 -1.04 -1.26 -4.70 114.28 105.12 1dqj n THR 116 Ca -0.08 -0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.77 1dqj n THR 116 Cb 0.57 -1.06 -0.15 0.00 -1.82 0.00 0.00 70.33 67.86 1dqj n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1dqj s THR 117 N 0.62 -0.24 0.48 12.58 2.01 0.12 -4.94 115.64 126.28 1dqj s THR 117 Ca 0.82 0.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.91 1dqj s THR 117 Cb -0.86 -0.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.27 1dqj s THR 117 CO 0.44 0.13 1.18 0.00 -0.69 0.00 0.00 174.62 175.68 1dqj s ALA 118 N 2.09 2.92 0.51 7.40 0.00 -1.26 -1.21 121.76 132.21 1dqj s ALA 118 Ca 0.00 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 1dqj s ALA 118 Cb -0.12 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1dqj s ALA 118 CO -0.06 -0.74 1.00 -1.25 0.00 0.00 0.00 175.76 174.71 1dqj s PRO 119 N -2.79 3.85 -0.13 0.00 0.04 -1.26 -4.54 135.00 130.16 1dqj s PRO 119 Ca 0.65 1.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1dqj s PRO 119 Cb -0.29 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 1dqj s PRO 119 CO 0.35 -0.36 0.31 -1.12 0.04 0.00 0.00 177.00 176.22 1dqj s SER 120 N -2.68 6.50 -0.20 6.66 0.01 -0.08 -4.93 113.70 118.99 1dqj s SER 120 Ca 0.62 0.59 -0.03 0.00 1.31 0.00 0.00 55.95 58.44 1dqj s SER 120 Cb -0.12 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 1dqj s SER 120 CO 0.27 0.16 -0.07 -0.69 0.41 0.00 0.00 173.24 173.32 1dqj s VAL 121 N 0.11 3.24 -0.06 3.43 1.01 -1.26 -1.24 120.40 125.63 1dqj s VAL 121 Ca 0.18 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1dqj s VAL 121 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1dqj s VAL 121 CO 0.06 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.10 1dqj s TYR 122 N 1.17 2.56 0.23 5.22 2.02 0.21 -4.97 117.35 123.80 1dqj s TYR 122 Ca 0.02 -0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 55.88 1dqj s TYR 122 Cb -0.14 -1.64 -0.09 0.00 -0.40 0.00 0.00 41.96 39.69 1dqj s TYR 122 CO -0.02 -0.10 0.96 -1.25 -1.57 0.00 0.00 175.55 173.58 1dqj s PRO 123 N -0.26 4.82 -0.34 -1.71 0.04 -1.26 -0.71 135.00 135.58 1dqj s PRO 123 Ca 0.00 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1dqj s PRO 123 Cb -0.13 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 31.20 1dqj s PRO 123 CO 0.03 0.46 0.07 -0.51 0.04 0.00 0.00 177.00 177.09 1dqj s LEU 124 N -1.11 4.37 0.08 -3.56 1.43 0.14 -4.89 118.68 115.14 1dqj s LEU 124 Ca 0.42 -1.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1dqj s LEU 124 Cb -0.27 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1dqj s LEU 124 CO 0.33 -0.35 -0.23 0.00 0.23 0.00 0.00 176.35 176.33 1dqj s ALA 125 N 1.22 1.97 0.45 4.21 0.00 -1.26 -0.57 121.76 127.78 1dqj s ALA 125 Ca -0.00 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 1dqj s ALA 125 Cb -0.21 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.48 1dqj s ALA 125 CO -0.02 0.43 0.84 -0.35 0.00 0.00 0.00 175.76 176.66 1dqj n PRO 126 N 1.36 1.02 -1.24 0.00 -0.04 -1.26 -4.57 135.00 130.25 1dqj n PRO 126 Ca -0.18 0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1dqj n PRO 126 Cb 0.53 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1dqj n PRO 126 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1dqj n VAL 127 N -0.82 0.00 -1.72 0.52 0.31 -1.26 -3.08 118.33 112.27 1dqj n VAL 127 Ca 0.11 -0.33 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 1dqj n VAL 127 Cb 0.41 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1dqj n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dqj n GLY 129 N -0.17 -0.14 3.79 0.00 0.00 -1.18 -4.85 105.19 102.64 1dqj n GLY 129 Ca 0.01 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1dqj n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dqj s ASP 130 N -2.31 3.24 -0.30 1.61 2.15 -1.26 -5.07 116.67 114.74 1dqj s ASP 130 Ca 0.26 0.85 -0.17 0.00 0.43 0.00 0.00 52.55 53.93 1dqj s ASP 130 Cb -0.15 -1.34 0.18 0.00 -0.30 0.00 0.00 42.92 41.31 1dqj s ASP 130 CO 0.42 -2.71 1.15 -0.89 -0.17 0.00 0.00 175.17 172.97 1dqj s THR 131 N -3.32 -0.14 0.00 1.71 2.01 -1.26 -4.87 115.64 109.77 1dqj s THR 131 Ca 0.65 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1dqj s THR 131 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1dqj s THR 131 CO 0.53 0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.87 1dqj n THR 132 N 4.08 0.00 0.00 -0.82 -1.04 -1.26 -5.11 114.28 110.13 1dqj n THR 132 Ca -0.12 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1dqj n THR 132 Cb 0.55 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1dqj n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dqj n GLY 133 N 3.42 -0.26 0.04 3.41 0.00 -1.26 -4.92 105.19 105.62 1dqj n GLY 133 Ca 0.00 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.64 1dqj n GLY 133 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dqj n SER 134 N 0.00 0.37 -4.35 1.61 7.64 -1.26 -4.75 113.62 112.88 1dqj n SER 134 Ca 0.00 0.43 -0.18 0.00 1.01 0.00 0.00 58.87 60.13 1dqj n SER 134 Cb 0.00 -0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 62.61 1dqj n SER 134 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1dqj s SER 135 N -3.61 1.88 -0.10 6.43 1.04 -1.26 0.61 113.70 118.69 1dqj s SER 135 Ca 0.12 -1.27 -0.07 0.00 0.48 0.00 0.00 55.95 55.21 1dqj s SER 135 Cb 0.16 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1dqj s SER 135 CO 0.58 -0.56 0.25 0.54 0.98 0.00 0.00 173.24 175.03 1dqj s VAL 136 N -3.43 -0.02 -0.06 5.02 0.11 0.18 -4.60 120.40 117.60 1dqj s VAL 136 Ca 0.31 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.44 1dqj s VAL 136 Cb 0.06 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1dqj s VAL 136 CO 0.11 0.03 -0.09 0.42 -3.33 0.00 0.00 175.10 172.24 1dqj s THR 137 N 0.62 3.55 0.45 5.04 -4.23 -1.26 -1.28 115.64 118.53 1dqj s THR 137 Ca -0.04 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.95 1dqj s THR 137 Cb -0.05 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 1dqj s THR 137 CO -0.04 0.58 0.03 -0.76 -0.54 0.00 0.00 174.62 173.90 1dqj s LEU 138 N -0.85 2.68 0.28 4.79 1.43 0.68 -4.67 118.68 123.01 1dqj s LEU 138 Ca 0.13 -1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 51.66 1dqj s LEU 138 Cb -0.11 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1dqj s LEU 138 CO 0.02 -0.63 0.53 -0.83 0.23 0.00 0.00 176.35 175.67 1dqj s GLY 139 N -3.81 0.60 -0.03 -3.19 0.00 0.26 -0.89 107.32 100.26 1dqj s GLY 139 Ca 0.25 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 1dqj s GLY 139 CO 0.13 -0.60 0.01 0.00 0.00 0.00 0.00 173.10 172.64 1dqj s LEU 141 N 1.24 3.22 -0.38 0.00 2.96 0.11 -1.18 118.68 124.65 1dqj s LEU 141 Ca -0.07 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1dqj s LEU 141 Cb -0.13 -1.84 0.05 0.00 0.50 0.00 0.00 46.19 44.77 1dqj s LEU 141 CO -0.02 -0.02 0.19 -0.69 -1.32 0.00 0.00 176.35 174.49 1dqj s VAL 142 N 1.48 4.16 0.07 1.68 1.01 0.15 -0.62 120.40 128.33 1dqj s VAL 142 Ca 0.06 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1dqj s VAL 142 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1dqj s VAL 142 CO 0.01 -0.32 -0.23 -0.75 0.00 0.00 0.00 175.10 173.81 1dqj s LYS 143 N 1.45 1.40 -0.89 2.72 2.20 -0.37 -0.14 119.74 126.11 1dqj s LYS 143 Ca 0.01 -1.09 -0.06 0.00 -0.36 0.00 0.00 55.97 54.47 1dqj s LYS 143 Cb -0.21 -1.63 0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1dqj s LYS 143 CO 0.04 0.40 0.74 0.41 -0.36 0.00 0.00 175.35 176.58 1dqj n GLY 144 N 1.50 -0.02 3.78 5.54 0.00 -0.73 -0.90 105.19 114.35 1dqj n GLY 144 Ca -0.18 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1dqj n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqj s TYR 145 N -3.19 2.83 -0.28 1.61 1.13 -0.94 -4.52 117.35 113.99 1dqj s TYR 145 Ca 0.37 -0.30 -0.21 0.00 -1.41 0.00 0.00 57.07 55.52 1dqj s TYR 145 Cb -0.16 -1.60 0.13 0.00 -1.10 0.00 0.00 41.96 39.22 1dqj s TYR 145 CO 0.45 0.35 0.98 0.12 -2.51 0.00 0.00 175.55 174.94 1dqj s PHE 146 N -2.33 -0.56 0.00 -3.49 5.36 -0.35 -0.66 117.98 115.94 1dqj s PHE 146 Ca 0.37 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 1dqj s PHE 146 Cb -0.05 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 1dqj s PHE 146 CO 0.24 -0.27 0.00 -0.35 -1.46 0.00 0.00 175.22 173.38 1dqj n PRO 147 N 2.93 0.85 -1.63 10.12 -0.04 -1.26 0.15 135.00 146.12 1dqj n PRO 147 Ca -0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 1dqj n PRO 147 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.08 1dqj n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1dqj s GLU 148 N -2.06 2.79 0.21 0.54 2.02 -1.26 -4.81 118.70 116.13 1dqj s GLU 148 Ca 0.00 0.80 0.02 0.00 0.02 0.00 0.00 54.97 55.81 1dqj s GLU 148 Cb 0.00 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.26 1dqj s GLU 148 CO 0.00 -1.16 0.16 -0.35 0.02 0.00 0.00 175.26 173.93 1dqj n PRO 149 N -3.15 1.16 -4.14 0.39 -0.04 -1.26 -4.97 135.00 122.99 1dqj n PRO 149 Ca 0.07 -1.28 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 1dqj n PRO 149 Cb 0.55 0.12 -0.10 0.00 -0.04 0.00 0.00 33.50 34.02 1dqj n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1dqj s VAL 150 N -0.96 0.66 -0.16 0.52 -7.23 -1.26 -4.42 120.40 107.55 1dqj s VAL 150 Ca 0.13 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1dqj s VAL 150 Cb -0.01 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.59 1dqj s VAL 150 CO 0.08 -0.71 -0.21 0.42 -0.31 0.00 0.00 175.10 174.37 1dqj s THR 151 N -2.91 2.12 -0.12 5.32 -4.23 -0.40 -4.97 115.64 110.44 1dqj s THR 151 Ca 0.05 -0.94 -0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1dqj s THR 151 Cb 0.00 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1dqj s THR 151 CO -0.03 0.54 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.25 1dqj s LEU 152 N 1.01 2.77 0.16 4.79 0.20 -1.26 -1.40 118.68 124.96 1dqj s LEU 152 Ca -0.02 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.55 1dqj s LEU 152 Cb -0.14 -1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 43.95 1dqj s LEU 152 CO -0.06 0.18 -0.07 0.42 -0.29 0.00 0.00 176.35 176.53 1dqj s THR 154 N 0.24 1.08 -0.11 3.68 -4.23 -0.42 -4.99 115.64 110.89 1dqj s THR 154 Ca -0.08 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 1dqj s THR 154 Cb -0.15 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 1dqj s THR 154 CO 0.05 -0.66 -0.15 0.26 -0.54 0.00 0.00 174.62 173.58 1dqj s TRP 155 N -3.38 2.74 -1.52 3.99 0.52 -1.26 -0.61 118.94 119.41 1dqj s TRP 155 Ca 0.19 -0.62 -0.06 0.00 0.02 0.00 0.00 56.10 55.63 1dqj s TRP 155 Cb 0.04 -1.78 0.05 0.00 -1.15 0.00 0.00 33.47 30.63 1dqj s TRP 155 CO 0.02 -0.17 0.49 0.09 0.02 0.00 0.00 176.95 177.40 1dqj n ASN 160 N 3.29 -1.13 -1.82 2.95 3.02 0.82 -0.12 115.26 122.27 1dqj n ASN 160 Ca -0.18 -1.04 -0.17 0.00 -0.03 0.00 0.00 54.58 53.16 1dqj n ASN 160 Cb 0.53 -2.77 -0.05 0.00 -0.61 0.00 0.00 39.78 36.88 1dqj n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dqj n SER 161 N -2.86 -4.64 0.00 6.41 7.64 -1.26 -0.95 113.62 117.95 1dqj n SER 161 Ca -0.19 0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1dqj n SER 161 Cb 0.62 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 1dqj n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dqj n GLY 162 N -0.53 0.75 0.00 0.23 0.00 0.83 -4.93 105.19 101.54 1dqj n GLY 162 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1dqj n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dqj n SER 163 N 0.00 0.00 -3.91 1.61 7.64 -0.12 -4.20 113.62 114.64 1dqj n SER 163 Ca 0.00 0.31 -0.30 0.00 1.01 0.00 0.00 58.87 59.88 1dqj n SER 163 Cb 0.00 -0.42 -0.15 0.00 -1.01 0.00 0.00 64.21 62.63 1dqj n SER 163 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1dqj s LEU 164 N -2.84 2.99 0.00 -3.43 2.96 -1.08 -4.96 118.68 112.32 1dqj s LEU 164 Ca 0.14 -1.51 0.00 0.00 -0.22 0.00 0.00 54.13 52.54 1dqj s LEU 164 Cb 0.14 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.62 1dqj s LEU 164 CO 0.35 -0.31 0.00 -1.54 -1.32 0.00 0.00 176.35 173.53 1dqj n SER 165 N 4.62 1.91 -4.91 3.68 3.41 -1.26 -4.10 113.62 116.97 1dqj n SER 165 Ca -0.06 -0.15 -0.27 0.00 -0.26 0.00 0.00 58.87 58.13 1dqj n SER 165 Cb 0.43 0.68 0.01 0.00 -0.26 0.00 0.00 64.21 65.08 1dqj n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dqj s SER 166 N -1.06 5.95 -1.54 4.04 0.01 -1.26 -4.23 113.70 115.60 1dqj s SER 166 Ca 0.00 0.83 -0.00 0.00 1.31 0.00 0.00 55.95 58.09 1dqj s SER 166 Cb 0.00 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.24 1dqj s SER 166 CO 0.00 -0.81 0.03 0.61 0.41 0.00 0.00 173.24 173.48 1dqj n GLY 167 N -2.42 -0.50 3.68 3.44 0.00 -1.26 -4.56 105.19 103.56 1dqj n GLY 167 Ca 0.03 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1dqj n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dqj s VAL 169 N -2.91 4.16 -0.20 1.61 1.01 -1.26 -0.44 120.40 122.37 1dqj s VAL 169 Ca 0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1dqj s VAL 169 Cb -0.01 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.59 1dqj s VAL 169 CO 0.02 0.41 0.05 -1.00 0.00 0.00 0.00 175.10 174.58 1dqj s HIS 170 N -1.06 0.95 -0.26 5.22 3.76 0.15 -4.99 115.29 119.07 1dqj s HIS 170 Ca 0.19 -0.84 -0.05 0.00 -0.15 0.00 0.00 55.06 54.20 1dqj s HIS 170 Cb -0.11 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.56 1dqj s HIS 170 CO 0.09 -0.62 0.01 0.99 -0.85 0.00 0.00 174.74 174.37 1dqj s THR 171 N 1.88 3.61 0.42 1.30 2.01 -1.26 -0.89 115.64 122.71 1dqj s THR 171 Ca 0.00 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1dqj s THR 171 Cb -0.17 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 1dqj s THR 171 CO -0.10 0.25 0.78 -0.36 -0.69 0.00 0.00 174.62 174.51 1dqj s PHE 172 N 1.48 3.47 0.33 4.92 0.40 -0.60 -5.02 117.98 122.96 1dqj s PHE 172 Ca 0.04 1.06 -0.29 0.00 -0.60 0.00 0.00 56.93 57.14 1dqj s PHE 172 Cb -0.16 -2.46 -0.11 0.00 0.51 0.00 0.00 43.02 40.81 1dqj s PHE 172 CO -0.01 -0.13 1.44 -2.14 0.70 0.00 0.00 175.22 175.08 1dqj s PRO 173 N -3.91 4.21 0.67 0.24 0.02 -1.26 -4.39 135.00 130.58 1dqj s PRO 173 Ca 0.51 2.42 -0.16 0.00 0.02 0.00 0.00 61.00 63.80 1dqj s PRO 173 Cb -0.10 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1dqj s PRO 173 CO 0.32 -0.43 1.16 0.00 -0.33 0.00 0.00 177.00 177.72 1dqj s ALA 174 N -0.74 2.35 0.22 -1.55 0.00 -1.26 -4.83 121.76 115.94 1dqj s ALA 174 Ca 0.54 0.73 0.09 0.00 0.00 0.00 0.00 51.96 53.33 1dqj s ALA 174 Cb -0.44 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1dqj s ALA 174 CO 0.54 -1.47 -0.16 0.14 0.00 0.00 0.00 175.76 174.81 1dqj s VAL 175 N -2.10 1.91 -0.24 0.00 -7.23 0.24 -4.90 120.40 108.07 1dqj s VAL 175 Ca 0.71 -2.22 -0.16 0.00 -1.81 0.00 0.00 61.98 58.50 1dqj s VAL 175 Cb -0.25 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1dqj s VAL 175 CO 0.41 -0.52 0.42 -0.22 -0.31 0.00 0.00 175.10 174.88 1dqj s LEU 176 N -3.27 4.08 -0.19 1.32 2.96 -1.26 -0.80 118.68 121.52 1dqj s LEU 176 Ca 0.23 0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1dqj s LEU 176 Cb -0.02 -2.52 0.05 0.00 0.50 0.00 0.00 46.19 44.20 1dqj s LEU 176 CO 0.09 -0.17 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.33 1dqj s GLN 177 N 1.85 1.32 -1.31 1.98 0.74 0.24 -4.81 119.66 119.68 1dqj s GLN 177 Ca 0.18 -0.60 -0.01 0.00 0.05 0.00 0.00 55.36 54.98 1dqj s GLN 177 Cb -0.15 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.81 1dqj s GLN 177 CO 0.09 -0.51 0.75 0.45 -0.55 0.00 0.00 175.29 175.52 1dqj n SER 178 N 4.86 -1.49 0.00 6.67 2.88 -1.26 -1.43 113.62 123.85 1dqj n SER 178 Ca -0.11 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1dqj n SER 178 Cb 0.47 -4.19 0.00 0.00 -0.75 0.00 0.00 64.21 59.74 1dqj n SER 178 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1dqj n ASP 181 N -3.05 0.00 -4.58 -3.46 10.43 -1.26 -4.97 116.55 109.65 1dqj n ASP 181 Ca -0.28 0.00 -0.26 0.00 2.57 0.00 0.00 54.79 56.82 1dqj n ASP 181 Cb 0.67 -0.58 -0.09 0.00 1.84 0.00 0.00 41.12 42.96 1dqj n ASP 181 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1dqj s LEU 182 N 0.00 3.00 0.21 0.64 1.43 -0.51 -4.85 118.68 118.59 1dqj s LEU 182 Ca 0.00 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 1dqj s LEU 182 Cb 0.00 -1.64 -0.08 0.00 0.03 0.00 0.00 46.19 44.50 1dqj s LEU 182 CO 0.00 0.08 0.63 -0.31 0.23 0.00 0.00 176.35 176.99 1dqj s TYR 183 N -1.85 3.55 -0.02 0.29 2.02 0.16 0.81 117.35 122.30 1dqj s TYR 183 Ca 0.26 1.16 0.01 0.00 -0.37 0.00 0.00 57.07 58.13 1dqj s TYR 183 Cb -0.08 -2.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1dqj s TYR 183 CO 0.16 0.32 -0.04 0.99 -1.57 0.00 0.00 175.55 175.41 1dqj s THR 184 N -1.63 0.41 0.04 -0.71 2.01 0.02 -1.77 115.64 114.01 1dqj s THR 184 Ca 0.44 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 1dqj s THR 184 Cb -0.14 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1dqj s THR 184 CO 0.20 0.17 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.05 1dqj s LEU 185 N 0.51 2.40 0.04 4.42 0.20 0.79 -0.60 118.68 126.45 1dqj s LEU 185 Ca -0.06 -0.85 -0.03 0.00 0.69 0.00 0.00 54.13 53.88 1dqj s LEU 185 Cb -0.09 0.19 -0.02 0.00 -0.43 0.00 0.00 46.19 45.83 1dqj s LEU 185 CO -0.00 -0.51 0.04 -0.94 -0.29 0.00 0.00 176.35 174.64 1dqj s SER 186 N -2.49 0.27 0.01 3.68 1.04 -1.26 0.33 113.70 115.27 1dqj s SER 186 Ca 0.00 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 55.79 1dqj s SER 186 Cb 0.03 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1dqj s SER 186 CO -0.07 -0.49 -0.01 -0.55 0.98 0.00 0.00 173.24 173.10 1dqj s SER 187 N -2.20 0.07 0.02 7.02 0.15 -0.33 -1.56 113.70 116.88 1dqj s SER 187 Ca -0.04 -0.16 0.07 0.00 0.70 0.00 0.00 55.95 56.52 1dqj s SER 187 Cb -0.01 0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1dqj s SER 187 CO -0.05 -0.10 -0.22 -0.94 1.20 0.00 0.00 173.24 173.14 1dqj s SER 188 N -0.46 2.56 -0.04 5.45 1.04 -0.06 -0.60 113.70 121.58 1dqj s SER 188 Ca -0.05 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1dqj s SER 188 Cb -0.03 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1dqj s SER 188 CO -0.00 0.22 -0.14 0.54 0.98 0.00 0.00 173.24 174.83 1dqj s VAL 189 N -0.66 1.21 -0.13 5.02 0.11 -0.07 -0.68 120.40 125.20 1dqj s VAL 189 Ca 0.08 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1dqj s VAL 189 Cb -0.09 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 1dqj s VAL 189 CO 0.01 0.36 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.09 1dqj s THR 190 N 0.20 2.74 0.26 5.04 2.01 0.42 -0.23 115.64 126.08 1dqj s THR 190 Ca -0.06 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1dqj s THR 190 Cb -0.12 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1dqj s THR 190 CO 0.02 0.53 0.11 0.68 -0.69 0.00 0.00 174.62 175.27 1dqj s VAL 191 N 0.52 0.47 0.47 3.82 -7.23 -0.40 -4.55 120.40 113.50 1dqj s VAL 191 Ca -0.10 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.85 1dqj s VAL 191 Cb -0.16 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.10 1dqj s VAL 191 CO 0.04 0.00 1.08 -0.89 -0.31 0.00 0.00 175.10 175.02 1dqj s THR 192 N -3.76 3.53 0.65 5.32 2.01 -1.26 -0.65 115.64 121.48 1dqj s THR 192 Ca 0.37 1.04 0.39 0.00 0.31 0.00 0.00 61.69 63.81 1dqj s THR 192 Cb 0.07 -3.48 0.40 0.00 0.01 0.00 0.00 72.50 69.51 1dqj s THR 192 CO 0.14 -0.12 2.25 0.28 -0.69 0.00 0.00 174.62 176.48 1dqj h SER 193 N 1.83 0.00 -0.04 3.53 0.02 -0.09 0.40 113.55 119.19 1dqj h SER 193 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1dqj h SER 193 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1dqj h SER 193 CO 0.60 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.75 1dqj n SER 194 N -3.19 0.81 -0.13 3.07 3.41 -1.26 -3.85 113.62 112.48 1dqj n SER 194 Ca -0.02 -1.40 -0.18 0.00 -0.26 0.00 0.00 58.87 57.00 1dqj n SER 194 Cb 0.16 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 1dqj n SER 194 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1dqj n THR 196 N -0.31 1.45 -4.87 6.66 -1.04 0.13 -4.80 114.28 111.50 1dqj n THR 196 Ca 0.18 -0.55 -0.26 0.00 -2.04 0.00 0.00 64.05 61.38 1dqj n THR 196 Cb 0.22 -1.41 -0.15 0.00 -1.82 0.00 0.00 70.33 67.16 1dqj n THR 196 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1dqj s TRP 197 N -2.51 1.83 -2.00 -1.42 -0.00 -1.22 0.42 118.94 114.04 1dqj s TRP 197 Ca -0.34 -0.36 0.25 0.00 -0.00 0.00 0.00 56.10 55.65 1dqj s TRP 197 Cb 0.09 -1.15 1.51 0.00 -0.00 0.00 0.00 33.47 33.93 1dqj s TRP 197 CO 0.58 0.01 1.92 -0.35 -0.00 0.00 0.00 176.95 179.12 1dqj n PRO 198 N 2.31 0.91 -0.33 5.86 -0.04 -1.26 -4.79 135.00 137.66 1dqj n PRO 198 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1dqj n PRO 198 Cb 0.53 -1.43 0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1dqj n PRO 198 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1dqj h SER 200 N 0.00 -1.25 -3.17 3.54 0.02 -1.86 -3.38 113.55 107.46 1dqj h SER 200 Ca 0.00 0.28 -0.66 0.00 -0.84 0.00 0.00 61.79 60.57 1dqj h SER 200 Cb 0.00 0.67 -0.11 0.00 0.14 0.00 0.00 62.40 63.10 1dqj h SER 200 CO 0.00 -0.29 -0.59 -1.58 -1.14 0.00 0.00 176.83 173.22 1dqj s GLN 201 N -6.02 3.02 0.45 3.45 0.74 0.17 -5.09 119.66 116.37 1dqj s GLN 201 Ca -0.14 -0.47 -0.24 0.00 0.05 0.00 0.00 55.36 54.56 1dqj s GLN 201 Cb 0.20 -2.83 -0.08 0.00 1.10 0.00 0.00 33.01 31.41 1dqj s GLN 201 CO 0.72 0.66 1.25 0.45 -0.55 0.00 0.00 175.29 177.82 1dqj s SER 202 N -1.46 6.12 -0.11 6.67 0.15 -1.26 -4.56 113.70 119.24 1dqj s SER 202 Ca 0.20 2.51 -0.02 0.00 0.70 0.00 0.00 55.95 59.34 1dqj s SER 202 Cb -0.12 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1dqj s SER 202 CO 0.10 -0.97 0.01 -0.63 1.20 0.00 0.00 173.24 172.95 1dqj s ILE 203 N -1.38 0.42 -0.02 6.45 1.01 -1.26 -5.00 121.20 121.41 1dqj s ILE 203 Ca 0.62 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 61.22 1dqj s ILE 203 Cb -0.34 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1dqj s ILE 203 CO 0.42 0.10 -0.22 -0.89 0.00 0.00 0.00 174.94 174.35 1dqj s THR 204 N 1.94 1.76 -0.14 2.92 2.01 -1.26 -0.63 115.64 122.23 1dqj s THR 204 Ca 0.03 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 1dqj s THR 204 Cb -0.14 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1dqj s THR 204 CO -0.06 0.50 0.39 0.00 -0.69 0.00 0.00 174.62 174.76 1dqj s ASN 207 N 0.59 3.75 -0.16 0.00 -0.87 0.22 -0.19 114.94 118.28 1dqj s ASN 207 Ca 0.21 -0.51 0.01 0.00 -1.57 0.00 0.00 52.86 51.01 1dqj s ASN 207 Cb -0.14 -1.61 0.02 0.00 -0.02 0.00 0.00 41.25 39.49 1dqj s ASN 207 CO 0.07 -0.00 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.73 1dqj s VAL 208 N 1.34 1.87 -0.11 1.60 1.01 0.47 -1.31 120.40 125.28 1dqj s VAL 208 Ca 0.05 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1dqj s VAL 208 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1dqj s VAL 208 CO -0.07 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.48 1dqj s ALA 209 N 1.26 2.98 -0.41 5.51 0.00 -0.49 -0.73 121.76 129.87 1dqj s ALA 209 Ca 0.02 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1dqj s ALA 209 Cb -0.13 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.74 1dqj s ALA 209 CO -0.10 0.41 0.18 -1.58 0.00 0.00 0.00 175.76 174.67 1dqj s HIS 210 N -0.27 2.39 0.22 0.00 2.46 0.37 -1.28 115.29 119.18 1dqj s HIS 210 Ca 0.04 -2.49 -0.13 0.00 0.47 0.00 0.00 55.06 52.95 1dqj s HIS 210 Cb -0.13 -2.17 0.26 0.00 -0.13 0.00 0.00 32.58 30.42 1dqj s HIS 210 CO 0.02 -0.82 1.62 -1.35 -2.47 0.00 0.00 174.74 171.74 1dqj h PRO 211 N 7.12 -0.00 -0.83 2.88 0.11 -1.80 -1.80 132.00 137.68 1dqj h PRO 211 Ca -0.05 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.23 1dqj h PRO 211 Cb 0.95 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.01 1dqj h PRO 211 CO 0.52 -0.00 0.55 0.00 -0.21 0.00 0.00 178.00 178.86 1dqj h ALA 212 N 1.68 2.13 -0.53 -0.75 0.00 -1.91 -1.33 119.26 118.56 1dqj h ALA 212 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1dqj h ALA 212 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dqj h ALA 212 CO -0.70 -0.38 0.00 -1.13 0.00 0.00 0.00 179.25 177.04 1dqj n SER 213 N -4.50 3.48 -4.05 0.00 3.41 -0.74 -4.97 113.62 106.25 1dqj n SER 213 Ca 0.17 -2.04 -0.31 0.00 -0.26 0.00 0.00 58.87 56.42 1dqj n SER 213 Cb 0.60 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1dqj n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1dqj n SER 214 N 1.01 -2.55 -4.32 4.04 7.64 -0.50 -4.96 113.62 113.97 1dqj n SER 214 Ca 0.18 -0.95 -0.24 0.00 1.01 0.00 0.00 58.87 58.87 1dqj n SER 214 Cb 0.54 -3.14 -0.12 0.00 -1.01 0.00 0.00 64.21 60.48 1dqj n SER 214 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1dqj s THR 215 N -3.53 1.84 -0.24 0.44 -4.23 -1.09 -5.02 115.64 103.81 1dqj s THR 215 Ca 0.45 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1dqj s THR 215 Cb -0.24 -1.73 0.13 0.00 1.34 0.00 0.00 72.50 72.00 1dqj s THR 215 CO 0.89 -0.14 0.46 -0.75 -0.54 0.00 0.00 174.62 174.54 1dqj s LYS 216 N -2.27 0.40 0.21 3.99 2.20 -1.26 -0.48 119.74 122.54 1dqj s LYS 216 Ca 0.11 0.90 0.11 0.00 -0.36 0.00 0.00 55.97 56.74 1dqj s LYS 216 Cb -0.08 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1dqj s LYS 216 CO 0.06 -0.45 -0.22 0.14 -0.36 0.00 0.00 175.35 174.52 1dqj s VAL 217 N 2.66 2.47 0.03 4.02 -7.23 0.09 -4.94 120.40 117.50 1dqj s VAL 217 Ca 0.07 -2.09 0.08 0.00 -1.81 0.00 0.00 61.98 58.22 1dqj s VAL 217 Cb -0.14 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1dqj s VAL 217 CO -0.16 -0.19 -0.22 -1.81 -0.31 0.00 0.00 175.10 172.42 1dqj s ASP 218 N -2.90 3.52 -0.17 4.85 -0.00 -1.26 -0.40 116.67 120.31 1dqj s ASP 218 Ca 0.23 -0.47 -0.04 0.00 -0.00 0.00 0.00 52.55 52.27 1dqj s ASP 218 Cb -0.07 -0.49 0.06 0.00 -0.00 0.00 0.00 42.92 42.42 1dqj s ASP 218 CO 0.12 0.27 0.07 -0.75 -0.00 0.00 0.00 175.17 174.88 1dqj s LYS 219 N -1.22 0.22 0.26 8.23 2.47 0.74 -4.95 119.74 125.48 1dqj s LYS 219 Ca 0.13 -0.15 -0.30 0.00 -1.56 0.00 0.00 55.97 54.09 1dqj s LYS 219 Cb -0.10 -1.84 -0.09 0.00 -1.46 0.00 0.00 37.83 34.33 1dqj s LYS 219 CO 0.03 -0.64 1.03 0.21 0.16 0.00 0.00 175.35 176.13 1dqj s LYS 220 N 2.06 4.74 0.00 4.03 2.20 -1.26 -0.19 119.74 131.32 1dqj s LYS 220 Ca 0.01 1.66 0.28 0.00 -0.36 0.00 0.00 55.97 57.56 1dqj s LYS 220 Cb -0.16 -3.24 1.13 0.00 -1.51 0.00 0.00 37.83 34.05 1dqj s LYS 220 CO -0.08 0.34 1.79 -0.89 -0.36 0.00 0.00 175.35 176.15