#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqn s ILE 2 N 0.00 1.01 0.11 3.17 1.09 -1.26 -0.31 121.20 125.00 1dqn s ILE 2 Ca 0.00 -0.95 -0.31 0.00 -1.10 0.00 0.00 60.65 58.29 1dqn s ILE 2 Cb 0.00 -0.92 -0.09 0.00 -1.06 0.00 0.00 42.46 40.38 1dqn s ILE 2 CO 0.00 -0.03 1.66 0.00 -0.10 0.00 0.00 174.94 176.48 1dqn n SER 4 N 5.13 0.00 -0.12 0.00 3.41 -1.26 -0.73 113.62 120.05 1dqn n SER 4 Ca 0.16 0.12 -0.26 0.00 -0.26 0.00 0.00 58.87 58.63 1dqn n SER 4 Cb 0.39 -0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 1dqn n SER 4 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1dqn n VAL 5 N -1.34 1.32 -0.03 -3.33 0.31 -1.26 -4.70 118.33 109.29 1dqn n VAL 5 Ca 0.09 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.98 1dqn n VAL 5 Cb 0.18 -1.81 -0.14 0.00 -0.91 0.00 0.00 33.84 31.16 1dqn n VAL 5 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1dqn n THR 6 N -4.05 1.60 -0.45 2.52 -2.24 -1.24 -4.98 114.28 105.44 1dqn n THR 6 Ca -0.47 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1dqn n THR 6 Cb 0.84 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1dqn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dqn n GLY 7 N 1.61 0.73 3.71 3.38 0.00 0.10 -5.01 105.19 109.70 1dqn n GLY 7 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1dqn n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dqn s LYS 8 N -0.55 4.47 0.47 1.61 2.20 -1.26 -4.62 119.74 122.05 1dqn s LYS 8 Ca 0.00 1.61 -0.24 0.00 -0.36 0.00 0.00 55.97 56.98 1dqn s LYS 8 Cb 0.00 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.81 1dqn s LYS 8 CO 0.00 -0.21 1.28 -2.30 -0.36 0.00 0.00 175.35 173.75 1dqn n PRO 9 N 4.15 1.81 -0.21 4.03 -0.02 -1.26 -0.50 135.00 143.00 1dqn n PRO 9 Ca 0.08 0.65 0.04 0.00 -2.02 0.00 0.00 63.50 62.26 1dqn n PRO 9 Cb 0.48 -2.43 0.31 0.00 -0.02 0.00 0.00 33.50 31.84 1dqn n PRO 9 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1dqn h VAL 10 N 1.81 1.07 -0.37 -1.45 2.07 -0.99 0.38 116.25 118.78 1dqn h VAL 10 Ca -0.49 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1dqn h VAL 10 Cb 1.30 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1dqn h VAL 10 CO 0.58 0.16 0.25 0.07 0.02 0.00 0.00 177.57 178.65 1dqn h LYS 11 N 0.87 0.47 0.04 1.57 2.10 -1.89 -0.02 116.57 119.71 1dqn h LYS 11 Ca 0.31 -0.03 -0.23 0.00 -2.00 0.00 0.00 60.65 58.71 1dqn h LYS 11 Cb 0.15 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1dqn h LYS 11 CO -0.10 0.31 -1.02 -0.44 -2.00 0.00 0.00 179.45 176.20 1dqn h ASP 12 N 0.48 0.37 -0.50 7.07 3.45 -1.31 -0.35 116.42 125.64 1dqn h ASP 12 Ca 0.14 -0.34 -0.02 0.00 0.43 0.00 0.00 57.03 57.24 1dqn h ASP 12 Cb -0.03 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 1dqn h ASP 12 CO -0.03 1.18 0.22 0.58 -1.57 0.00 0.00 179.24 179.62 1dqn h VAL 13 N 0.12 1.20 -0.06 -1.35 2.07 -0.49 -2.26 116.25 115.49 1dqn h VAL 13 Ca -0.08 -0.61 -0.17 0.00 0.82 0.00 0.00 66.70 66.66 1dqn h VAL 13 Cb 1.70 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1dqn h VAL 13 CO 0.16 0.23 -0.71 -0.07 0.02 0.00 0.00 177.57 177.21 1dqn h LEU 14 N 0.66 0.33 -0.80 2.57 4.07 -0.98 -0.50 115.31 120.66 1dqn h LEU 14 Ca 0.17 -0.22 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 1dqn h LEU 14 Cb 0.16 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1dqn h LEU 14 CO -0.02 0.93 0.09 0.77 -1.08 0.00 0.00 178.44 179.13 1dqn h SER 15 N 0.19 0.94 -0.19 -0.43 4.64 -0.92 0.33 113.55 118.12 1dqn h SER 15 Ca -0.02 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 1dqn h SER 15 Cb 1.26 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1dqn h SER 15 CO 0.11 0.95 -0.13 0.74 -0.87 0.00 0.00 176.83 177.64 1dqn h THR 16 N 0.93 1.32 -0.38 2.95 2.02 -1.33 -2.85 112.91 115.57 1dqn h THR 16 Ca 0.19 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 66.16 1dqn h THR 16 Cb 0.42 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1dqn h THR 16 CO 0.01 0.37 0.21 0.15 0.37 0.00 0.00 175.52 176.63 1dqn h PHE 17 N 0.11 0.39 -0.18 3.16 3.04 -0.72 -3.11 116.94 119.64 1dqn h PHE 17 Ca 0.04 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1dqn h PHE 17 Cb 0.63 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1dqn h PHE 17 CO 0.07 0.22 0.00 1.19 -2.02 0.00 0.00 178.31 177.77 1dqn n PHE 18 N -4.90 0.23 -2.18 0.41 3.01 0.07 -4.84 117.46 109.26 1dqn n PHE 18 Ca 0.01 -0.11 -0.43 0.00 1.01 0.00 0.00 57.45 57.93 1dqn n PHE 18 Cb 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 1dqn n PHE 18 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1dqn s LYS 19 N -1.77 4.13 -1.51 -1.08 2.20 -1.08 -3.90 119.74 116.73 1dqn s LYS 19 Ca 0.27 1.90 -0.08 0.00 -0.36 0.00 0.00 55.97 57.71 1dqn s LYS 19 Cb 0.14 -3.91 0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1dqn s LYS 19 CO 0.21 -0.87 0.63 -0.25 -0.36 0.00 0.00 175.35 174.71 1dqn n ASP 20 N 7.17 -1.94 -4.89 1.43 8.00 -1.26 -4.97 116.55 120.09 1dqn n ASP 20 Ca 0.16 -0.96 -0.29 0.00 0.71 0.00 0.00 54.79 54.41 1dqn n ASP 20 Cb 0.44 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 1dqn n ASP 20 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1dqn s ARG 21 N -6.64 3.54 -0.16 -1.24 0.52 -1.25 -4.99 118.95 108.73 1dqn s ARG 21 Ca 0.32 0.42 0.15 0.00 -0.52 0.00 0.00 55.73 56.11 1dqn s ARG 21 Cb -0.17 -2.25 0.34 0.00 0.52 0.00 0.00 34.95 33.39 1dqn s ARG 21 CO 0.89 -0.37 1.18 0.09 0.02 0.00 0.00 175.30 177.10 1dqn n ASN 22 N -2.47 2.00 -0.36 0.23 3.02 -1.26 -4.65 115.26 111.76 1dqn n ASN 22 Ca 0.03 -3.38 0.04 0.00 -0.03 0.00 0.00 54.58 51.23 1dqn n ASN 22 Cb 0.55 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1dqn n ASN 22 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1dqn n ASP 23 N -1.23 0.91 -3.64 6.41 3.85 -1.26 -5.04 116.55 116.55 1dqn n ASP 23 Ca 0.17 -2.43 -0.09 0.00 -0.71 0.00 0.00 54.79 51.73 1dqn n ASP 23 Cb 0.67 -0.29 -0.07 0.00 -1.35 0.00 0.00 41.12 40.08 1dqn n ASP 23 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1dqn s VAL 24 N -1.10 0.00 0.32 2.12 0.11 -1.26 -4.99 120.40 115.60 1dqn s VAL 24 Ca 0.13 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.93 1dqn s VAL 24 Cb 0.12 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.87 1dqn s VAL 24 CO 0.01 0.00 0.92 -0.76 -3.33 0.00 0.00 175.10 171.94 1dqn s LEU 25 N 0.55 4.30 0.32 2.54 1.02 -1.26 -4.89 118.68 121.25 1dqn s LEU 25 Ca -0.00 1.77 0.07 0.00 0.02 0.00 0.00 54.13 55.99 1dqn s LEU 25 Cb -0.05 -4.02 0.77 0.00 0.02 0.00 0.00 46.19 42.91 1dqn s LEU 25 CO -0.07 -0.09 1.80 -0.08 0.02 0.00 0.00 176.35 177.93 1dqn h GLU 26 N 3.07 0.72 0.00 1.70 4.57 -1.99 0.14 114.58 122.78 1dqn h GLU 26 Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1dqn h GLU 26 Cb 1.19 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1dqn h GLU 26 CO 0.65 0.47 0.00 0.66 -1.18 0.00 0.00 179.01 179.61 1dqn h SER 27 N 0.74 0.00 0.76 1.04 4.64 -2.06 -2.87 113.55 115.79 1dqn h SER 27 Ca 0.55 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.86 1dqn h SER 27 Cb 0.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1dqn h SER 27 CO -0.33 0.00 -1.25 -0.62 -0.87 0.00 0.00 176.83 173.76 1dqn n GLU 28 N -2.95 0.62 -0.26 4.77 1.02 0.46 -4.43 120.64 119.87 1dqn n GLU 28 Ca -0.01 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1dqn n GLU 28 Cb 0.20 -1.76 0.20 0.00 -0.02 0.00 0.00 31.44 30.06 1dqn n GLU 28 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1dqn h VAL 29 N 0.00 0.41 0.00 2.62 2.07 -1.27 -0.58 116.25 119.50 1dqn h VAL 29 Ca -0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1dqn h VAL 29 Cb 1.02 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1dqn h VAL 29 CO 0.00 0.04 0.00 0.07 0.02 0.00 0.00 177.57 177.70 1dqn h LYS 30 N 0.19 0.00 0.00 1.57 2.10 -1.78 -2.26 116.57 116.39 1dqn h LYS 30 Ca 0.44 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.08 1dqn h LYS 30 Cb 0.80 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1dqn h LYS 30 CO -0.60 0.00 -0.07 0.87 -2.00 0.00 0.00 179.45 177.65 1dqn h LYS 31 N 0.00 0.00 -5.20 0.07 1.57 -1.40 -3.43 116.57 108.19 1dqn h LYS 31 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1dqn h LYS 31 Cb 0.02 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.18 1dqn h LYS 31 CO 0.00 0.07 -0.13 -0.06 -0.57 0.00 0.00 179.45 178.76 1dqn s PHE 32 N -3.57 3.22 -0.25 -1.35 0.40 -0.85 -4.45 117.98 111.13 1dqn s PHE 32 Ca 0.02 0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.58 1dqn s PHE 32 Cb 0.09 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 1dqn s PHE 32 CO 0.59 -0.37 0.13 -1.01 0.70 0.00 0.00 175.22 175.26 1dqn s HIS 33 N 2.23 3.20 -0.06 0.36 3.76 0.39 -4.92 115.29 120.24 1dqn s HIS 33 Ca 0.17 -0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 54.75 1dqn s HIS 33 Cb -0.16 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 1dqn s HIS 33 CO 0.11 -0.15 1.18 -1.17 -0.85 0.00 0.00 174.74 173.86 1dqn s LEU 34 N 1.45 4.28 -0.26 0.89 0.20 -1.26 -0.06 118.68 123.91 1dqn s LEU 34 Ca 0.06 1.79 -0.03 0.00 0.69 0.00 0.00 54.13 56.64 1dqn s LEU 34 Cb -0.15 -3.56 -0.16 0.00 -0.43 0.00 0.00 46.19 41.89 1dqn s LEU 34 CO 0.06 -0.56 -0.24 0.18 -0.29 0.00 0.00 176.35 175.51 1dqn n LEU 35 N 5.11 2.65 -3.77 -0.68 4.77 0.44 -4.92 117.00 120.60 1dqn n LEU 35 Ca 0.11 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1dqn n LEU 35 Cb 0.47 -0.89 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 1dqn n LEU 35 CO 0.55 0.82 -0.22 0.00 -1.33 0.00 0.00 177.39 177.21 1dqn s ALA 36 N -2.52 -0.30 0.70 -1.18 0.00 -1.00 -4.69 121.76 112.77 1dqn s ALA 36 Ca -0.36 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1dqn s ALA 36 Cb 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1dqn s ALA 36 CO 0.57 -0.14 1.06 0.95 0.00 0.00 0.00 175.76 178.21 1dqn s THR 37 N 0.91 3.93 0.20 0.00 -4.23 -1.26 -0.68 115.64 114.52 1dqn s THR 37 Ca -0.07 0.65 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 1dqn s THR 37 Cb -0.09 -3.34 0.13 0.00 1.34 0.00 0.00 72.50 70.54 1dqn s THR 37 CO -0.05 -0.80 1.80 0.15 -0.54 0.00 0.00 174.62 175.18 1dqn h PHE 38 N -0.68 0.61 -0.92 3.99 3.57 -1.92 0.35 116.94 121.95 1dqn h PHE 38 Ca -0.44 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.10 1dqn h PHE 38 Cb 1.21 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 1dqn h PHE 38 CO 0.61 0.28 0.61 0.93 -2.23 0.00 0.00 178.31 178.51 1dqn h GLU 39 N 0.62 1.21 -0.69 1.11 4.39 -1.93 0.14 114.58 119.43 1dqn h GLU 39 Ca 0.29 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 1dqn h GLU 39 Cb 0.20 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1dqn h GLU 39 CO -0.19 0.80 0.15 0.93 -1.16 0.00 0.00 179.01 179.54 1dqn h GLU 40 N 1.24 1.11 -0.75 2.33 5.08 -1.51 -1.46 114.58 120.62 1dqn h GLU 40 Ca 0.34 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1dqn h GLU 40 Cb -0.14 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 28.94 1dqn h GLU 40 CO -0.08 0.99 0.25 0.00 -1.00 0.00 0.00 179.01 179.17 1dqn h LYS 42 N 1.12 0.96 -0.45 0.00 1.57 -0.37 -0.75 116.57 118.65 1dqn h LYS 42 Ca 0.24 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1dqn h LYS 42 Cb 0.29 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1dqn h LYS 42 CO -0.01 0.74 0.14 0.00 -0.57 0.00 0.00 179.45 179.76 1dqn h ALA 43 N 1.40 0.58 -0.50 3.86 0.00 -0.74 -0.24 119.26 123.62 1dqn h ALA 43 Ca 0.24 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dqn h ALA 43 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1dqn h ALA 43 CO -0.03 0.23 0.33 -0.07 0.00 0.00 0.00 179.25 179.71 1dqn h LEU 44 N 0.58 0.56 -0.76 0.00 4.07 -0.92 -0.26 115.31 118.58 1dqn h LEU 44 Ca 0.14 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.01 1dqn h LEU 44 Cb 0.26 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1dqn h LEU 44 CO -0.01 0.40 0.01 0.00 -1.08 0.00 0.00 178.44 177.77 1dqn h ALA 45 N 1.19 0.96 -0.67 1.53 0.00 -0.91 -1.25 119.26 120.12 1dqn h ALA 45 Ca 0.19 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1dqn h ALA 45 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1dqn h ALA 45 CO -0.05 0.63 0.10 0.00 0.00 0.00 0.00 179.25 179.94 1dqn h ALA 46 N 1.12 0.89 -0.26 0.00 0.00 -0.69 0.52 119.26 120.83 1dqn h ALA 46 Ca 0.16 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1dqn h ALA 46 Cb 0.51 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dqn h ALA 46 CO 0.02 0.66 -0.08 0.22 0.00 0.00 0.00 179.25 180.07 1dqn h ASP 47 N 1.03 0.40 -0.12 0.00 1.82 -0.75 0.31 116.42 119.10 1dqn h ASP 47 Ca 0.20 -0.08 -0.22 0.00 -0.39 0.00 0.00 57.03 56.54 1dqn h ASP 47 Cb 0.45 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.36 1dqn h ASP 47 CO 0.01 0.52 -0.75 0.74 -1.61 0.00 0.00 179.24 178.16 1dqn h THR 48 N 0.40 1.29 -0.92 2.25 2.02 -0.68 -2.74 112.91 114.52 1dqn h THR 48 Ca 0.08 -1.96 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 1dqn h THR 48 Cb 0.39 1.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1dqn h THR 48 CO 0.02 0.62 0.54 0.00 0.37 0.00 0.00 175.52 177.07 1dqn h ALA 49 N 0.61 1.21 -0.39 6.16 0.00 -0.41 -1.32 119.26 125.13 1dqn h ALA 49 Ca -0.04 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1dqn h ALA 49 Cb 1.37 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1dqn h ALA 49 CO 0.15 0.66 0.11 -0.09 0.00 0.00 0.00 179.25 180.09 1dqn h ARG 50 N 1.28 0.25 -0.38 0.00 2.43 -0.83 0.16 114.38 117.29 1dqn h ARG 50 Ca 0.33 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.36 1dqn h ARG 50 Cb -0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1dqn h ARG 50 CO -0.06 0.16 -0.25 0.00 -1.51 0.00 0.00 179.97 178.31 1dqn h ARG 51 N 0.25 0.78 -0.32 0.20 3.08 -1.12 -2.11 114.38 115.15 1dqn h ARG 51 Ca 0.18 -0.33 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 1dqn h ARG 51 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1dqn h ARG 51 CO -0.21 0.95 -0.28 0.52 -1.07 0.00 0.00 179.97 179.88 1dqn h MET 52 N 0.67 0.65 -0.82 0.04 2.86 -0.86 -1.81 114.93 115.66 1dqn h MET 52 Ca 0.09 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1dqn h MET 52 Cb 0.77 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1dqn h MET 52 CO 0.06 0.86 0.37 -0.91 1.06 0.00 0.00 176.91 178.35 1dqn h ASN 53 N 0.56 1.09 -0.10 1.22 2.35 -0.45 -0.23 115.58 120.02 1dqn h ASN 53 Ca 0.07 -0.15 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 1dqn h ASN 53 Cb 0.76 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1dqn h ASN 53 CO 0.06 0.94 -0.51 -0.08 -1.65 0.00 0.00 177.43 176.19 1dqn h GLU 54 N 1.17 0.68 -0.46 0.81 4.57 -1.22 -1.71 114.58 118.42 1dqn h GLU 54 Ca 0.28 -0.41 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 1dqn h GLU 54 Cb 0.15 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1dqn h GLU 54 CO -0.03 1.02 -0.01 -0.92 -1.18 0.00 0.00 179.01 177.89 1dqn h TYR 55 N 0.53 0.89 -0.59 0.92 3.20 -0.89 -3.29 116.97 117.74 1dqn h TYR 55 Ca 0.02 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1dqn h TYR 55 Cb 1.07 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1dqn h TYR 55 CO 0.05 0.87 0.00 0.66 -1.64 0.00 0.00 178.16 178.10 1dqn n TYR 56 N -4.36 1.11 0.16 -3.82 0.53 -0.14 -4.65 117.16 105.98 1dqn n TYR 56 Ca 0.00 -0.58 0.15 0.00 -1.02 0.00 0.00 57.90 56.45 1dqn n TYR 56 Cb 0.31 -0.14 0.72 0.00 -1.03 0.00 0.00 39.34 39.21 1dqn n TYR 56 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 1dqn h LYS 57 N 3.60 0.00 -0.48 -0.72 2.10 -1.38 -2.11 116.57 117.58 1dqn h LYS 57 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dqn h LYS 57 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1dqn h LYS 57 CO 0.12 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 1dqn n ASP 58 N -4.25 3.48 -4.74 7.07 10.43 -1.26 -5.01 116.55 122.26 1dqn n ASP 58 Ca 0.03 -2.12 -0.42 0.00 2.57 0.00 0.00 54.79 54.85 1dqn n ASP 58 Cb 0.33 -0.36 -0.01 0.00 1.84 0.00 0.00 41.12 42.92 1dqn n ASP 58 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1dqn n VAL 59 N 0.83 1.26 1.01 2.53 3.14 -0.79 -4.90 118.33 121.40 1dqn n VAL 59 Ca 0.17 -0.31 0.12 0.00 -2.96 0.00 0.00 64.34 61.36 1dqn n VAL 59 Cb 0.56 -1.88 0.19 0.00 -1.06 0.00 0.00 33.84 31.65 1dqn n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1dqn n ALA 60 N 1.68 2.48 -3.10 1.55 0.00 -1.26 -4.90 120.51 116.96 1dqn n ALA 60 Ca 0.07 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 1dqn n ALA 60 Cb 0.36 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 1dqn n ALA 60 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1dqn s GLU 61 N -1.94 0.39 0.33 0.00 -1.05 -1.26 -5.13 118.70 110.04 1dqn s GLU 61 Ca 0.31 -0.15 -0.29 0.00 -0.15 0.00 0.00 54.97 54.69 1dqn s GLU 61 Cb 0.20 0.17 -0.12 0.00 -0.44 0.00 0.00 34.13 33.94 1dqn s GLU 61 CO 0.31 -0.09 1.42 -2.30 0.95 0.00 0.00 175.26 175.55 1dqn n PRO 62 N 2.01 2.37 -2.75 -4.83 -0.02 -1.26 -4.91 135.00 125.60 1dqn n PRO 62 Ca -0.19 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1dqn n PRO 62 Cb 0.57 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1dqn n PRO 62 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dqn s VAL 63 N -0.74 4.19 -0.50 -1.45 1.01 -0.23 -4.81 120.40 117.86 1dqn s VAL 63 Ca 0.58 1.63 -0.18 0.00 0.00 0.00 0.00 61.98 64.01 1dqn s VAL 63 Cb -0.54 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1dqn s VAL 63 CO 0.58 -0.04 0.55 -0.89 0.00 0.00 0.00 175.10 175.30 1dqn s THR 64 N -1.82 5.00 -0.13 3.92 2.01 -0.34 -0.93 115.64 123.34 1dqn s THR 64 Ca 0.56 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 1dqn s THR 64 Cb -0.16 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1dqn s THR 64 CO 0.21 -0.75 0.35 -0.76 -0.69 0.00 0.00 174.62 172.98 1dqn s LEU 65 N 2.28 4.27 -0.07 4.42 1.43 -0.40 -1.00 118.68 129.62 1dqn s LEU 65 Ca 0.11 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1dqn s LEU 65 Cb -0.21 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1dqn s LEU 65 CO 0.10 0.09 -0.05 -0.69 0.23 0.00 0.00 176.35 176.03 1dqn s VAL 66 N 0.37 0.69 -0.00 -1.59 1.01 -0.16 -2.18 120.40 118.55 1dqn s VAL 66 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1dqn s VAL 66 Cb -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1dqn s VAL 66 CO 0.06 0.28 -0.07 0.00 0.00 0.00 0.00 175.10 175.38 1dqn s ALA 67 N 1.29 3.01 -0.13 5.51 0.00 -0.57 0.08 121.76 130.95 1dqn s ALA 67 Ca -0.05 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 1dqn s ALA 67 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1dqn s ALA 67 CO -0.02 0.61 0.62 -0.51 0.00 0.00 0.00 175.76 176.46 1dqn s LEU 68 N -1.38 4.24 0.54 0.00 1.43 -1.02 -1.37 118.68 121.12 1dqn s LEU 68 Ca 0.17 0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 54.04 1dqn s LEU 68 Cb -0.11 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 43.13 1dqn s LEU 68 CO 0.07 -0.14 1.10 -0.76 0.23 0.00 0.00 176.35 176.85 1dqn s LEU 69 N 1.15 3.74 -0.09 1.79 1.43 -0.69 -3.59 118.68 122.43 1dqn s LEU 69 Ca 0.31 2.09 0.05 0.00 -1.03 0.00 0.00 54.13 55.56 1dqn s LEU 69 Cb -0.16 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.39 1dqn s LEU 69 CO 0.13 -1.14 -0.01 0.41 0.23 0.00 0.00 176.35 175.97 1dqn n THR 70 N -1.32 0.58 -0.15 5.49 -1.04 -1.26 -4.74 114.28 111.83 1dqn n THR 70 Ca 0.11 -0.31 0.24 0.00 -2.04 0.00 0.00 64.05 62.04 1dqn n THR 70 Cb 0.51 -0.81 0.65 0.00 -1.82 0.00 0.00 70.33 68.87 1dqn n THR 70 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1dqn h GLY 71 N 1.38 0.24 1.51 3.41 0.00 -1.76 -2.51 103.07 105.34 1dqn h GLY 71 Ca -0.23 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dqn h GLY 71 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1dqn n ALA 72 N -2.64 1.80 -0.31 3.60 0.00 -1.24 -3.47 120.51 118.26 1dqn n ALA 72 Ca 0.16 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1dqn n ALA 72 Cb 0.79 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 19.25 1dqn n ALA 72 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1dqn h TYR 73 N 0.00 1.07 0.35 0.00 -0.00 -1.71 0.81 116.97 117.48 1dqn h TYR 73 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 58.74 1dqn h TYR 73 Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 36.73 36.49 1dqn h TYR 73 CO 0.00 0.59 -0.17 1.25 -0.00 0.00 0.00 178.16 179.83 1dqn h LEU 74 N 1.08 -0.39 -0.81 0.10 6.46 -1.84 -1.63 115.31 118.27 1dqn h LEU 74 Ca 0.38 -0.16 0.09 0.00 -0.12 0.00 0.00 57.88 58.06 1dqn h LEU 74 Cb 0.12 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.08 1dqn h LEU 74 CO -0.13 0.02 0.47 0.22 -0.62 0.00 0.00 178.44 178.40 1dqn h TYR 75 N -0.90 0.85 -0.68 1.25 3.20 -1.75 -0.69 116.97 118.25 1dqn h TYR 75 Ca -0.05 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1dqn h TYR 75 Cb 0.53 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1dqn h TYR 75 CO 0.03 0.37 0.45 0.00 -1.64 0.00 0.00 178.16 177.37 1dqn h ALA 76 N 1.44 1.53 -0.14 1.82 0.00 -0.78 -0.14 119.26 122.98 1dqn h ALA 76 Ca 0.38 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1dqn h ALA 76 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1dqn h ALA 76 CO -0.23 0.43 -0.42 0.66 0.00 0.00 0.00 179.25 179.69 1dqn h SER 77 N 0.90 0.33 1.71 0.00 4.64 -0.15 -1.04 113.55 119.95 1dqn h SER 77 Ca 0.25 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1dqn h SER 77 Cb -0.08 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1dqn h SER 77 CO -0.06 0.71 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.33 1dqn h LEU 78 N 0.26 0.00 0.00 5.97 3.38 -0.30 -3.26 115.31 121.36 1dqn h LEU 78 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1dqn h LEU 78 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1dqn h LEU 78 CO 0.07 0.22 -0.52 0.25 0.09 0.00 0.00 178.44 178.55 1dqn h LEU 79 N 0.00 0.00 -1.61 1.67 5.85 -0.94 -3.41 115.31 116.87 1dqn h LEU 79 Ca -0.00 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1dqn h LEU 79 Cb 1.14 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1dqn h LEU 79 CO 0.03 0.88 0.37 0.71 -0.34 0.00 0.00 178.44 180.09 1dqn h THR 80 N -1.00 0.95 0.00 1.05 1.35 -1.34 -1.51 112.91 112.41 1dqn h THR 80 Ca -0.07 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1dqn h THR 80 Cb 0.61 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1dqn h THR 80 CO -0.05 0.08 0.00 -0.37 -0.25 0.00 0.00 175.52 174.94 1dqn h VAL 81 N 0.46 0.00 -0.02 6.82 -1.51 -1.78 -2.19 116.25 118.04 1dqn h VAL 81 Ca 0.25 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 1dqn h VAL 81 Cb 0.38 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1dqn h VAL 81 CO -0.07 0.00 -0.05 1.41 -1.23 0.00 0.00 177.57 177.63 1dqn n HIS 82 N -2.49 0.00 -2.60 5.19 8.25 -0.57 -4.96 115.22 118.03 1dqn n HIS 82 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1dqn n HIS 82 Cb 0.13 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.19 1dqn n HIS 82 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1dqn s LEU 83 N -1.58 4.18 -0.05 2.41 1.43 -0.83 -4.84 118.68 119.41 1dqn s LEU 83 Ca 0.20 1.99 0.08 0.00 -1.03 0.00 0.00 54.13 55.37 1dqn s LEU 83 Cb 0.15 -4.15 0.12 0.00 0.03 0.00 0.00 46.19 42.34 1dqn s LEU 83 CO 0.25 -0.39 1.00 0.35 0.23 0.00 0.00 176.35 177.80 1dqn n THR 84 N 0.07 1.05 -4.45 5.49 -2.24 -1.26 -5.04 114.28 107.90 1dqn n THR 84 Ca 0.04 -1.21 -0.24 0.00 -2.27 0.00 0.00 64.05 60.37 1dqn n THR 84 Cb 0.50 0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 1dqn n THR 84 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1dqn s PHE 85 N -1.46 2.38 0.24 4.78 -0.71 -1.26 -5.02 117.98 116.92 1dqn s PHE 85 Ca 0.13 -0.35 -0.30 0.00 -1.04 0.00 0.00 56.93 55.37 1dqn s PHE 85 Cb 0.12 -1.12 -0.09 0.00 -1.21 0.00 0.00 43.02 40.72 1dqn s PHE 85 CO 0.01 0.67 1.31 -2.14 -1.34 0.00 0.00 175.22 173.73 1dqn s PRO 86 N -3.56 4.39 0.14 1.99 0.02 -1.26 -4.97 135.00 131.74 1dqn s PRO 86 Ca 0.31 2.10 -0.24 0.00 0.02 0.00 0.00 61.00 63.19 1dqn s PRO 86 Cb -0.04 -3.16 0.07 0.00 0.02 0.00 0.00 34.50 31.40 1dqn s PRO 86 CO 0.16 -0.22 0.64 1.52 -0.33 0.00 0.00 177.00 178.77 1dqn s TYR 87 N -0.28 -0.51 0.22 6.54 -0.85 -1.26 -1.07 117.35 120.14 1dqn s TYR 87 Ca 0.54 0.31 0.08 0.00 -0.52 0.00 0.00 57.07 57.48 1dqn s TYR 87 Cb -0.38 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1dqn s TYR 87 CO 0.42 -0.81 0.03 0.95 -1.52 0.00 0.00 175.55 174.62 1dqn s THR 88 N -3.66 3.72 -0.02 -3.49 -4.23 -0.11 -4.85 115.64 103.00 1dqn s THR 88 Ca 0.02 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1dqn s THR 88 Cb -0.01 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.91 1dqn s THR 88 CO -0.12 -0.25 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.46 1dqn s LEU 89 N -3.36 1.52 0.09 4.79 2.96 -1.26 -1.27 118.68 122.15 1dqn s LEU 89 Ca 0.30 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 1dqn s LEU 89 Cb -0.08 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.35 1dqn s LEU 89 CO 0.20 -0.03 0.25 -1.38 -1.32 0.00 0.00 176.35 174.06 1dqn s HIS 90 N 0.57 0.05 0.01 5.38 -3.43 -0.93 -5.02 115.29 111.93 1dqn s HIS 90 Ca -0.06 -0.44 0.05 0.00 -0.80 0.00 0.00 55.06 53.81 1dqn s HIS 90 Cb -0.09 0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 31.05 1dqn s HIS 90 CO -0.01 -0.58 -0.12 -0.06 -2.00 0.00 0.00 174.74 171.98 1dqn s PHE 91 N -3.75 2.73 0.07 0.38 0.40 -1.26 -1.51 117.98 115.04 1dqn s PHE 91 Ca 0.04 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 1dqn s PHE 91 Cb 0.04 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 1dqn s PHE 91 CO -0.11 0.30 -0.16 0.14 0.70 0.00 0.00 175.22 176.09 1dqn s VAL 92 N -0.94 1.28 -0.22 -0.44 -7.23 -0.47 -4.94 120.40 107.45 1dqn s VAL 92 Ca 0.15 -1.32 -0.10 0.00 -1.81 0.00 0.00 61.98 58.90 1dqn s VAL 92 Cb -0.11 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1dqn s VAL 92 CO 0.06 -0.14 0.15 -0.75 -0.31 0.00 0.00 175.10 174.11 1dqn s LYS 93 N -1.68 4.13 0.22 4.82 2.20 -1.26 -1.70 119.74 126.47 1dqn s LYS 93 Ca 0.01 -0.24 0.06 0.00 -0.36 0.00 0.00 55.97 55.44 1dqn s LYS 93 Cb -0.10 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 1dqn s LYS 93 CO 0.03 0.18 -0.09 0.14 -0.36 0.00 0.00 175.35 175.24 1dqn s VAL 94 N 0.71 1.49 0.02 4.02 -7.23 -1.26 -4.39 120.40 113.77 1dqn s VAL 94 Ca 0.08 -2.13 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 1dqn s VAL 94 Cb -0.12 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1dqn s VAL 94 CO 0.01 -0.51 -0.21 -0.55 -0.31 0.00 0.00 175.10 173.53 1dqn s SER 95 N -3.32 2.55 -0.27 4.85 0.15 -0.93 -4.94 113.70 111.80 1dqn s SER 95 Ca 0.24 -0.48 -0.16 0.00 0.70 0.00 0.00 55.95 56.25 1dqn s SER 95 Cb 0.02 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1dqn s SER 95 CO 0.07 0.21 0.43 -0.55 1.20 0.00 0.00 173.24 174.60 1dqn s SER 96 N -0.92 6.32 -0.33 5.45 0.15 -1.26 -0.45 113.70 122.65 1dqn s SER 96 Ca 0.08 0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.99 1dqn s SER 96 Cb -0.09 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1dqn s SER 96 CO 0.01 -0.24 0.14 -0.47 1.20 0.00 0.00 173.24 173.88 1dqn s TYR 97 N 2.17 3.20 -0.71 3.44 6.14 0.44 -4.95 117.35 127.08 1dqn s TYR 97 Ca 0.17 -0.96 -0.22 0.00 0.64 0.00 0.00 57.07 56.70 1dqn s TYR 97 Cb -0.16 -2.34 0.08 0.00 0.42 0.00 0.00 41.96 39.96 1dqn s TYR 97 CO 0.10 -0.60 1.01 0.15 0.64 0.00 0.00 175.55 176.85 1dqn s LYS 98 N 1.52 3.20 0.71 4.97 3.01 -1.26 -0.93 119.74 130.97 1dqn s LYS 98 Ca 0.02 -0.96 -0.09 0.00 -1.01 0.00 0.00 55.97 53.93 1dqn s LYS 98 Cb -0.18 -4.36 0.16 0.00 -1.01 0.00 0.00 37.83 32.43 1dqn s LYS 98 CO 0.05 -1.83 0.97 0.41 0.51 0.00 0.00 175.35 175.46 1dqn n GLY 99 N 5.40 -0.73 0.17 -3.33 0.00 0.00 -4.98 105.19 101.73 1dqn n GLY 99 Ca 0.01 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.35 1dqn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqn h THR 100 N -1.26 0.00 0.00 2.61 1.03 -2.04 -3.35 112.91 109.90 1dqn h THR 100 Ca -0.32 -0.84 -0.08 0.00 -0.01 0.00 0.00 66.41 65.16 1dqn h THR 100 Cb 0.95 1.76 -0.02 0.00 -1.07 0.00 0.00 68.15 69.78 1dqn h THR 100 CO 0.26 0.00 -1.47 0.54 -0.01 0.00 0.00 175.52 174.84 1dqn n ARG 101 N -2.79 1.76 -3.57 0.00 1.74 -1.26 -5.08 116.66 107.46 1dqn n ARG 101 Ca 0.04 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1dqn n ARG 101 Cb 0.50 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.73 1dqn n ARG 101 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1dqn s GLN 102 N -2.34 1.08 -0.17 5.56 -2.07 -1.26 -5.15 119.66 115.32 1dqn s GLN 102 Ca -0.03 -0.48 -0.08 0.00 -1.82 0.00 0.00 55.36 52.95 1dqn s GLN 102 Cb 0.03 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.36 1dqn s GLN 102 CO 0.33 -0.48 0.12 -2.00 -1.32 0.00 0.00 175.29 171.93 1dqn s GLU 103 N -3.35 3.90 0.04 9.60 2.12 -1.26 -0.82 118.70 128.94 1dqn s GLU 103 Ca 0.06 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.22 1dqn s GLU 103 Cb -0.01 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 1dqn s GLU 103 CO -0.06 0.44 -0.15 -1.12 -0.54 0.00 0.00 175.26 173.83 1dqn s SER 104 N -0.07 1.80 -0.23 -1.70 0.01 -0.10 -4.77 113.70 108.64 1dqn s SER 104 Ca 0.09 -0.49 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 1dqn s SER 104 Cb -0.12 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1dqn s SER 104 CO 0.00 0.04 0.59 -0.69 0.41 0.00 0.00 173.24 173.59 1dqn s VAL 105 N -0.89 5.03 -0.33 3.43 1.01 -1.26 -0.42 120.40 126.97 1dqn s VAL 105 Ca 0.02 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1dqn s VAL 105 Cb -0.08 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1dqn s VAL 105 CO 0.01 0.09 0.22 -0.69 0.00 0.00 0.00 175.10 174.73 1dqn s VAL 106 N 2.14 5.17 0.44 2.92 1.01 0.41 -4.87 120.40 127.62 1dqn s VAL 106 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1dqn s VAL 106 Cb -0.16 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1dqn s VAL 106 CO 0.09 0.04 0.66 -0.36 0.00 0.00 0.00 175.10 175.53 1dqn s PHE 107 N 1.71 3.20 0.19 5.22 0.40 -1.26 -2.19 117.98 125.26 1dqn s PHE 107 Ca 0.06 0.18 -0.30 0.00 -0.60 0.00 0.00 56.93 56.27 1dqn s PHE 107 Cb -0.17 -2.30 -0.08 0.00 0.51 0.00 0.00 43.02 40.98 1dqn s PHE 107 CO 0.10 -0.35 1.13 0.34 0.70 0.00 0.00 175.22 177.14 1dqn s ASP 108 N -4.22 7.21 0.23 1.36 2.15 -1.26 -4.92 116.67 117.22 1dqn s ASP 108 Ca 0.48 2.16 -0.08 0.00 0.43 0.00 0.00 52.55 55.55 1dqn s ASP 108 Cb -0.10 -2.61 0.38 0.00 -0.30 0.00 0.00 42.92 40.29 1dqn s ASP 108 CO 0.37 -0.26 1.69 -0.33 -0.17 0.00 0.00 175.17 176.48 1dqn h GLU 109 N 4.96 0.24 -0.43 4.34 5.08 -1.99 -1.52 114.58 125.25 1dqn h GLU 109 Ca -0.45 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1dqn h GLU 109 Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1dqn h GLU 109 CO 0.72 0.16 0.12 0.93 -1.00 0.00 0.00 179.01 179.94 1dqn h GLU 110 N 0.25 0.68 -0.27 2.33 5.08 -1.99 -1.40 114.58 119.26 1dqn h GLU 110 Ca 0.37 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1dqn h GLU 110 Cb 0.59 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1dqn h GLU 110 CO -0.47 0.68 0.08 -0.44 -1.00 0.00 0.00 179.01 177.85 1dqn h ASP 111 N 0.56 0.06 -0.63 1.42 3.32 -1.74 -1.69 116.42 117.72 1dqn h ASP 111 Ca 0.14 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1dqn h ASP 111 Cb 0.29 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1dqn h ASP 111 CO -0.00 0.07 0.36 0.25 -1.72 0.00 0.00 179.24 178.19 1dqn h LEU 112 N 0.19 0.78 -0.11 1.55 6.46 -1.18 -1.93 115.31 121.07 1dqn h LEU 112 Ca 0.12 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1dqn h LEU 112 Cb 0.11 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 1dqn h LEU 112 CO -0.14 0.64 -0.11 0.11 -0.62 0.00 0.00 178.44 178.32 1dqn h LYS 113 N 0.85 -0.12 -0.34 1.25 1.79 -0.88 -2.00 116.57 117.12 1dqn h LYS 113 Ca 0.22 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1dqn h LYS 113 Cb 0.02 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 1dqn h LYS 113 CO -0.04 -0.08 0.13 1.96 -1.08 0.00 0.00 179.45 180.34 1dqn h GLN 114 N -0.13 0.27 -0.35 3.15 1.08 -1.04 -3.03 115.11 115.06 1dqn h GLN 114 Ca 0.08 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1dqn h GLN 114 Cb 0.24 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1dqn h GLN 114 CO -0.19 0.18 0.18 -0.07 -0.95 0.00 0.00 178.83 177.98 1dqn h LEU 115 N 0.28 0.44 -1.06 1.46 3.38 -1.15 -2.61 115.31 116.05 1dqn h LEU 115 Ca 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dqn h LEU 115 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1dqn h LEU 115 CO -0.15 0.42 0.03 0.29 0.09 0.00 0.00 178.44 179.12 1dqn n LYS 116 N -4.76 0.10 0.09 1.13 5.02 -0.77 -1.61 118.16 117.36 1dqn n LYS 116 Ca -0.01 0.60 0.05 0.00 -2.02 0.00 0.00 58.31 56.92 1dqn n LYS 116 Cb 0.09 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 1dqn n LYS 116 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1dqn h GLU 117 N 0.00 0.00 -6.56 1.97 5.08 -1.45 -3.47 114.58 110.16 1dqn h GLU 117 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1dqn h GLU 117 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1dqn h GLU 117 CO 0.00 0.23 0.29 0.15 -1.00 0.00 0.00 179.01 178.68 1dqn s LYS 118 N -3.07 4.68 0.02 2.33 -0.14 -0.63 -4.99 119.74 117.93 1dqn s LYS 118 Ca -0.00 1.34 -0.25 0.00 -1.36 0.00 0.00 55.97 55.70 1dqn s LYS 118 Cb 0.08 -3.33 -0.18 0.00 -1.68 0.00 0.00 37.83 32.72 1dqn s LYS 118 CO 0.78 0.36 1.40 0.00 -0.76 0.00 0.00 175.35 177.13 1dqn h ARG 119 N 5.03 -0.06 -4.69 1.68 3.08 -1.91 -3.39 114.38 114.12 1dqn h ARG 119 Ca -0.44 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 58.92 1dqn h ARG 119 Cb 1.21 0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.99 1dqn h ARG 119 CO 0.70 0.26 -0.60 -1.21 -1.07 0.00 0.00 179.97 178.04 1dqn s GLU 120 N -4.89 2.69 -0.08 0.04 0.41 -1.26 -4.95 118.70 110.66 1dqn s GLU 120 Ca -0.15 -1.13 0.01 0.00 -0.41 0.00 0.00 54.97 53.29 1dqn s GLU 120 Cb 0.03 -3.46 0.02 0.00 -1.78 0.00 0.00 34.13 28.94 1dqn s GLU 120 CO 0.65 -0.64 -0.09 0.08 -0.49 0.00 0.00 175.26 174.78 1dqn s VAL 121 N 1.42 0.96 -0.15 2.63 1.01 -1.26 -1.20 120.40 123.81 1dqn s VAL 121 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1dqn s VAL 121 Cb -0.19 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1dqn s VAL 121 CO 0.03 0.33 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 1dqn s VAL 122 N 1.13 1.73 -0.18 2.92 1.01 -0.17 -0.93 120.40 125.92 1dqn s VAL 122 Ca -0.06 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1dqn s VAL 122 Cb -0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1dqn s VAL 122 CO -0.01 0.49 0.69 -0.22 0.00 0.00 0.00 175.10 176.04 1dqn s LEU 123 N 1.35 4.17 -0.22 3.92 1.98 0.07 -0.98 118.68 128.97 1dqn s LEU 123 Ca 0.03 0.96 -0.08 0.00 -2.89 0.00 0.00 54.13 52.15 1dqn s LEU 123 Cb -0.13 -3.00 -0.04 0.00 0.66 0.00 0.00 46.19 43.68 1dqn s LEU 123 CO -0.10 -0.30 0.09 -0.63 -1.89 0.00 0.00 176.35 173.53 1dqn s ILE 124 N 1.89 4.82 0.01 6.68 1.01 0.11 -0.18 121.20 135.54 1dqn s ILE 124 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 1dqn s ILE 124 Cb -0.16 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1dqn s ILE 124 CO 0.11 0.39 0.07 -0.62 0.00 0.00 0.00 174.94 174.90 1dqn s ASP 125 N 0.90 0.13 0.20 3.58 3.68 -0.71 -2.44 116.67 122.01 1dqn s ASP 125 Ca 0.05 -0.37 0.13 0.00 2.13 0.00 0.00 52.55 54.49 1dqn s ASP 125 Cb -0.14 0.17 -0.05 0.00 -1.45 0.00 0.00 42.92 41.46 1dqn s ASP 125 CO 0.03 -0.37 1.31 1.05 0.13 0.00 0.00 175.17 177.32 1dqn h GLU 126 N 4.27 0.00 -2.98 4.34 9.09 -1.87 -3.11 114.58 124.32 1dqn h GLU 126 Ca -0.32 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 58.89 1dqn h GLU 126 Cb 1.20 0.00 -0.31 0.00 -1.65 0.00 0.00 28.75 27.99 1dqn h GLU 126 CO 0.43 0.64 -0.51 -0.47 0.05 0.00 0.00 179.01 179.15 1dqn s TYR 127 N -2.87 -0.35 -0.35 2.06 5.04 -1.26 -1.63 117.35 118.00 1dqn s TYR 127 Ca 0.02 0.83 -0.09 0.00 -2.44 0.00 0.00 57.07 55.39 1dqn s TYR 127 Cb 0.08 0.00 0.03 0.00 0.35 0.00 0.00 41.96 42.42 1dqn s TYR 127 CO 0.78 -0.27 0.15 0.08 -1.34 0.00 0.00 175.55 174.95 1dqn s VAL 128 N 1.65 4.23 0.00 3.14 1.01 -0.32 -5.00 120.40 125.12 1dqn s VAL 128 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1dqn s VAL 128 Cb -0.11 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1dqn s VAL 128 CO -0.08 -0.14 0.00 -0.67 0.00 0.00 0.00 175.10 174.20 1dqn n ASP 129 N 4.92 0.00 0.18 3.32 -0.08 -1.26 -0.82 116.55 122.80 1dqn n ASP 129 Ca -0.13 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.22 1dqn n ASP 129 Cb 0.46 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.03 1dqn n ASP 129 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1dqn h SER 130 N 0.00 0.00 0.00 1.67 4.64 -2.00 -3.41 113.55 114.45 1dqn h SER 130 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqn h SER 130 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1dqn h SER 130 CO 0.00 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1dqn n GLY 131 N 1.12 1.21 0.35 -0.77 0.00 -1.26 -4.92 105.19 100.91 1dqn n GLY 131 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1dqn n GLY 131 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1dqn h HIS 132 N 0.00 0.79 0.56 1.61 3.86 -1.96 0.18 115.15 120.20 1dqn h HIS 132 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1dqn h HIS 132 Cb 0.00 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.22 1dqn h HIS 132 CO 0.00 0.41 -0.27 1.15 0.86 0.00 0.00 177.93 180.08 1dqn h THR 133 N 0.78 0.39 0.00 2.45 2.02 -1.91 -1.60 112.91 115.03 1dqn h THR 133 Ca 0.32 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 1dqn h THR 133 Cb 0.27 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1dqn h THR 133 CO -0.11 0.03 -0.36 0.16 0.37 0.00 0.00 175.52 175.62 1dqn h ILE 134 N -0.91 1.10 -0.44 3.11 3.07 -1.93 -1.45 117.51 120.06 1dqn h ILE 134 Ca -0.08 -1.29 -0.01 0.00 1.55 0.00 0.00 64.86 65.04 1dqn h ILE 134 Cb 0.63 1.73 -0.02 0.00 -0.27 0.00 0.00 36.82 38.89 1dqn h ILE 134 CO 0.13 0.35 0.25 0.15 -1.05 0.00 0.00 178.15 177.98 1dqn h PHE 135 N 0.00 0.59 -0.11 0.16 3.57 -0.53 0.25 116.94 120.87 1dqn h PHE 135 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1dqn h PHE 135 Cb 0.70 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1dqn h PHE 135 CO 0.00 0.43 -0.02 1.03 -2.23 0.00 0.00 178.31 177.52 1dqn h SER 136 N 0.58 0.21 -0.91 0.41 0.87 -0.89 -2.47 113.55 111.34 1dqn h SER 136 Ca 0.16 -0.35 0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1dqn h SER 136 Cb 0.02 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 1dqn h SER 136 CO -0.03 0.50 0.60 0.40 -0.53 0.00 0.00 176.83 177.77 1dqn h ILE 137 N -0.09 1.20 -0.35 2.23 2.04 -1.12 -2.58 117.51 118.83 1dqn h ILE 137 Ca 0.03 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1dqn h ILE 137 Cb 0.41 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1dqn h ILE 137 CO 0.01 0.22 0.12 -0.61 0.00 0.00 0.00 178.15 177.89 1dqn h GLN 138 N 1.19 0.26 0.00 2.37 5.75 -0.39 0.14 115.11 124.43 1dqn h GLN 138 Ca 0.35 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1dqn h GLN 138 Cb -0.08 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.41 1dqn h GLN 138 CO -0.09 0.17 0.00 1.05 -2.65 0.00 0.00 178.83 177.31 1dqn h GLU 139 N 0.27 0.00 0.00 1.69 4.11 -1.06 -2.16 114.58 117.42 1dqn h GLU 139 Ca 0.16 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.35 1dqn h GLU 139 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1dqn h GLU 139 CO -0.16 0.00 -1.87 1.04 0.07 0.00 0.00 179.01 178.08 1dqn n GLN 140 N -2.39 0.65 -3.52 1.06 6.02 -0.61 -4.59 117.38 113.99 1dqn n GLN 140 Ca 0.02 0.10 -0.28 0.00 -0.01 0.00 0.00 57.00 56.83 1dqn n GLN 140 Cb 0.23 -1.67 -0.11 0.00 1.02 0.00 0.00 30.24 29.71 1dqn n GLN 140 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dqn s ILE 141 N -2.80 0.90 0.51 5.09 1.01 0.38 -4.98 121.20 121.32 1dqn s ILE 141 Ca -0.06 -2.85 0.26 0.00 0.00 0.00 0.00 60.65 57.99 1dqn s ILE 141 Cb 0.08 -1.62 0.42 0.00 0.01 0.00 0.00 42.46 41.35 1dqn s ILE 141 CO 0.83 -1.14 1.95 0.11 0.00 0.00 0.00 174.94 176.69 1dqn h LYS 142 N 5.83 0.07 -0.02 2.79 1.79 -1.65 -1.29 116.57 124.10 1dqn h LYS 142 Ca 0.20 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1dqn h LYS 142 Cb 0.89 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1dqn h LYS 142 CO 0.44 0.04 -0.07 -2.39 -1.08 0.00 0.00 179.45 176.39 1dqn n HIS 143 N -4.37 0.00 -1.84 -1.35 1.44 -1.26 -4.96 115.22 102.88 1dqn n HIS 143 Ca 0.13 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.45 1dqn n HIS 143 Cb 0.70 -0.02 0.02 0.00 0.12 0.00 0.00 29.99 30.81 1dqn n HIS 143 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1dqn s ALA 144 N -2.11 3.09 0.31 1.59 0.00 -0.49 -4.72 121.76 119.42 1dqn s ALA 144 Ca 0.34 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.74 1dqn s ALA 144 Cb 0.20 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1dqn s ALA 144 CO 0.37 -1.18 0.21 0.15 0.00 0.00 0.00 175.76 175.31 1dqn s LYS 145 N -2.59 2.68 0.01 0.00 1.02 -0.10 -4.65 119.74 116.11 1dqn s LYS 145 Ca 0.64 -1.28 0.07 0.00 0.02 0.00 0.00 55.97 55.42 1dqn s LYS 145 Cb -0.41 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1dqn s LYS 145 CO 0.52 0.21 -0.22 0.42 -0.92 0.00 0.00 175.35 175.36 1dqn s ILE 146 N -2.28 1.74 -0.20 2.17 -1.09 -0.50 -0.75 121.20 120.30 1dqn s ILE 146 Ca 0.37 -1.08 -0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1dqn s ILE 146 Cb -0.06 -1.48 0.06 0.00 -1.58 0.00 0.00 42.46 39.41 1dqn s ILE 146 CO 0.25 0.36 0.03 0.00 -1.23 0.00 0.00 174.94 174.35 1dqn s SER 148 N 1.84 1.44 0.03 0.00 0.15 0.04 -1.74 113.70 115.46 1dqn s SER 148 Ca -0.01 -0.23 -0.25 0.00 0.70 0.00 0.00 55.95 56.17 1dqn s SER 148 Cb -0.17 -0.29 -0.18 0.00 -1.71 0.00 0.00 66.02 63.67 1dqn s SER 148 CO -0.08 0.12 1.46 0.00 1.20 0.00 0.00 173.24 175.93 1dqn s PHE 150 N -5.09 2.35 -0.07 0.00 0.40 -0.65 -0.48 117.98 114.45 1dqn s PHE 150 Ca -0.15 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1dqn s PHE 150 Cb 0.03 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 42.10 1dqn s PHE 150 CO 0.65 0.00 -0.05 0.08 0.70 0.00 0.00 175.22 176.61 1dqn s VAL 151 N -0.65 0.72 0.14 -0.44 1.01 -0.41 -1.17 120.40 119.59 1dqn s VAL 151 Ca 0.10 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1dqn s VAL 151 Cb -0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1dqn s VAL 151 CO -0.00 0.29 1.76 0.50 0.00 0.00 0.00 175.10 177.65 1dqn h LYS 152 N 7.72 0.49 -1.44 2.72 3.64 -1.20 -3.28 116.57 125.23 1dqn h LYS 152 Ca -0.30 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 58.90 1dqn h LYS 152 Cb 1.14 -0.10 -0.25 0.00 -0.41 0.00 0.00 32.23 32.61 1dqn h LYS 152 CO 0.40 0.38 -0.50 0.34 -2.27 0.00 0.00 179.45 177.80 1dqn s ASP 153 N -5.61 -0.34 0.14 4.20 3.68 -1.26 -1.57 116.67 115.91 1dqn s ASP 153 Ca -0.13 -0.44 -0.17 0.00 2.13 0.00 0.00 52.55 53.94 1dqn s ASP 153 Cb 0.10 1.42 -0.00 0.00 -1.45 0.00 0.00 42.92 42.98 1dqn s ASP 153 CO 0.72 -0.30 1.78 0.58 0.13 0.00 0.00 175.17 178.09 1dqn h VAL 154 N 5.81 1.02 -0.61 1.11 2.07 -1.97 -2.56 116.25 121.12 1dqn h VAL 154 Ca -0.03 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1dqn h VAL 154 Cb 1.14 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1dqn h VAL 154 CO 0.20 0.07 0.17 0.44 0.02 0.00 0.00 177.57 178.46 1dqn h ASP 155 N 0.36 0.08 -0.79 0.57 3.32 -1.98 0.21 116.42 118.20 1dqn h ASP 155 Ca 0.12 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1dqn h ASP 155 Cb 0.01 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1dqn h ASP 155 CO -0.06 0.05 0.46 0.00 -1.72 0.00 0.00 179.24 177.97 1dqn h ALA 156 N 1.46 1.09 -0.26 3.45 0.00 -1.91 -0.38 119.26 122.72 1dqn h ALA 156 Ca 0.32 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1dqn h ALA 156 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dqn h ALA 156 CO -0.37 0.15 0.06 0.82 0.00 0.00 0.00 179.25 179.91 1dqn h ILE 157 N 0.82 1.22 0.00 0.00 1.08 -0.53 -2.69 117.51 117.41 1dqn h ILE 157 Ca 0.36 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1dqn h ILE 157 Cb 0.24 1.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1dqn h ILE 157 CO -0.20 0.23 0.00 0.11 -0.69 0.00 0.00 178.15 177.60 1dqn h LYS 158 N 0.25 0.00 -0.24 2.37 6.56 0.02 -2.75 116.57 122.79 1dqn h LYS 158 Ca 0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 1dqn h LYS 158 Cb 0.29 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1dqn h LYS 158 CO 0.00 0.00 0.09 0.87 -2.06 0.00 0.00 179.45 178.35 1dqn h LYS 159 N 0.00 0.32 -6.19 3.15 1.79 -0.73 -3.39 116.57 111.52 1dqn h LYS 159 Ca 0.00 -0.03 -0.56 0.00 -2.18 0.00 0.00 60.65 57.87 1dqn h LYS 159 Cb 0.28 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1dqn h LYS 159 CO 0.00 0.27 0.77 -1.01 -1.08 0.00 0.00 179.45 178.40 1dqn s HIS 160 N -5.18 3.17 0.47 -1.35 3.76 -1.04 -4.91 115.29 110.21 1dqn s HIS 160 Ca -0.07 1.27 0.17 0.00 -0.15 0.00 0.00 55.06 56.29 1dqn s HIS 160 Cb 0.17 -3.37 1.16 0.00 1.11 0.00 0.00 32.58 31.64 1dqn s HIS 160 CO 0.72 -1.06 2.01 0.66 -0.85 0.00 0.00 174.74 176.22 1dqn h SER 161 N 7.64 0.22 0.00 1.40 4.64 -1.89 0.43 113.55 126.00 1dqn h SER 161 Ca -0.27 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1dqn h SER 161 Cb 1.12 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1dqn h SER 161 CO 0.93 0.13 -0.17 0.00 -0.87 0.00 0.00 176.83 176.86 1dqn h ALA 162 N 1.74 1.37 -0.00 5.18 0.00 -1.93 -2.99 119.26 122.62 1dqn h ALA 162 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dqn h ALA 162 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dqn h ALA 162 CO -0.05 0.43 -0.88 1.28 0.00 0.00 0.00 179.25 180.03 1dqn n LEU 163 N -4.21 1.23 0.28 0.00 4.77 -0.35 -4.45 117.00 114.25 1dqn n LEU 163 Ca -0.00 -0.55 0.18 0.00 -0.03 0.00 0.00 56.01 55.60 1dqn n LEU 163 Cb 0.32 -0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.33 1dqn n LEU 163 CO 0.39 0.28 1.15 0.00 -1.33 0.00 0.00 177.39 177.88 1dqn h ALA 164 N 3.20 1.46 0.00 -1.18 0.00 -0.82 -1.97 119.26 119.94 1dqn h ALA 164 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dqn h ALA 164 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dqn h ALA 164 CO 0.00 -0.24 -0.92 -0.40 0.00 0.00 0.00 179.25 177.69 1dqn n ASP 165 N -3.34 0.97 -4.69 0.00 5.75 -1.26 -4.99 116.55 108.99 1dqn n ASP 165 Ca -0.01 -0.59 -0.42 0.00 -0.01 0.00 0.00 54.79 53.76 1dqn n ASP 165 Cb 0.28 1.18 -0.03 0.00 -1.03 0.00 0.00 41.12 41.53 1dqn n ASP 165 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1dqn s THR 166 N -2.47 3.29 -0.03 2.12 -4.23 -0.74 -4.96 115.64 108.62 1dqn s THR 166 Ca 0.02 0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 1dqn s THR 166 Cb 0.10 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1dqn s THR 166 CO 0.56 0.01 1.31 -0.75 -0.54 0.00 0.00 174.62 175.22 1dqn s LYS 167 N 2.25 4.31 -0.11 3.99 2.47 -1.26 -4.95 119.74 126.45 1dqn s LYS 167 Ca 0.69 1.84 0.02 0.00 -1.56 0.00 0.00 55.97 56.95 1dqn s LYS 167 Cb -0.37 -3.57 0.01 0.00 -1.46 0.00 0.00 37.83 32.45 1dqn s LYS 167 CO 0.30 -0.52 -0.16 -1.64 0.16 0.00 0.00 175.35 173.48 1dqn s MET 168 N 2.33 2.32 -0.26 4.03 -1.94 -1.26 -1.41 119.30 123.11 1dqn s MET 168 Ca 0.60 -0.60 -0.08 0.00 -1.71 0.00 0.00 55.69 53.90 1dqn s MET 168 Cb -0.28 -1.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 1dqn s MET 168 CO 0.24 -0.04 0.10 -0.06 -0.01 0.00 0.00 175.02 175.26 1dqn s PHE 169 N 0.91 3.12 0.08 -0.03 0.40 0.12 -4.98 117.98 117.61 1dqn s PHE 169 Ca -0.08 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1dqn s PHE 169 Cb -0.15 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1dqn s PHE 169 CO -0.01 -0.34 -0.06 1.52 0.70 0.00 0.00 175.22 177.03 1dqn s TYR 170 N 1.64 0.77 -0.13 0.36 -0.85 -1.26 -0.78 117.35 117.11 1dqn s TYR 170 Ca 0.06 -0.88 -0.21 0.00 -0.52 0.00 0.00 57.07 55.52 1dqn s TYR 170 Cb -0.16 -0.47 -0.25 0.00 0.38 0.00 0.00 41.96 41.46 1dqn s TYR 170 CO 0.05 -0.19 0.56 0.78 -1.52 0.00 0.00 175.55 175.23 1dqn h GLY 171 N 3.24 0.16 -4.54 5.49 0.00 -0.11 -3.45 103.07 103.86 1dqn h GLY 171 Ca -0.35 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 1dqn h GLY 171 CO 0.61 0.35 -0.11 -0.47 0.00 0.00 0.00 176.54 176.93 1dqn s TYR 172 N -2.39 -0.41 -0.03 5.60 5.04 0.37 -4.96 117.35 120.57 1dqn s TYR 172 Ca -0.21 0.79 -0.28 0.00 -2.44 0.00 0.00 57.07 54.93 1dqn s TYR 172 Cb 0.03 0.21 0.06 0.00 0.35 0.00 0.00 41.96 42.61 1dqn s TYR 172 CO 0.71 -0.42 0.62 -0.08 -1.34 0.00 0.00 175.55 175.04 1dqn s THR 173 N -0.87 0.01 0.56 4.34 -1.32 -1.26 -1.28 115.64 115.81 1dqn s THR 173 Ca -0.09 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.34 1dqn s THR 173 Cb -0.03 -0.95 0.05 0.00 -1.51 0.00 0.00 72.50 70.06 1dqn s THR 173 CO 0.05 -0.04 0.78 -2.16 -2.21 0.00 0.00 174.62 171.03 1dqn s PRO 174 N -1.43 2.41 0.19 7.08 0.04 -1.26 -5.05 135.00 136.99 1dqn s PRO 174 Ca -0.10 -1.04 0.08 0.00 0.04 0.00 0.00 61.00 59.98 1dqn s PRO 174 Cb -0.01 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1dqn s PRO 174 CO 0.07 -0.78 0.01 -1.64 0.04 0.00 0.00 177.00 174.70 1dqn s MET 175 N -4.74 2.41 0.23 4.56 -1.94 -0.61 -4.95 119.30 114.28 1dqn s MET 175 Ca 0.59 -1.16 -0.30 0.00 -1.71 0.00 0.00 55.69 53.11 1dqn s MET 175 Cb -0.09 -2.34 -0.10 0.00 2.01 0.00 0.00 34.83 34.32 1dqn s MET 175 CO 0.38 0.44 1.41 -2.14 -0.01 0.00 0.00 175.02 175.11 1dqn s PRO 176 N -3.12 4.29 0.60 2.03 0.02 -1.26 -4.85 135.00 132.72 1dqn s PRO 176 Ca 0.28 2.25 -0.17 0.00 0.02 0.00 0.00 61.00 63.38 1dqn s PRO 176 Cb -0.09 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 1dqn s PRO 176 CO 0.19 -0.39 1.11 0.15 -0.33 0.00 0.00 177.00 177.73 1dqn s LYS 177 N -0.27 3.12 0.00 5.54 1.02 -1.26 -3.13 119.74 124.76 1dqn s LYS 177 Ca 0.59 1.47 0.00 0.00 0.02 0.00 0.00 55.97 58.05 1dqn s LYS 177 Cb -0.41 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1dqn s LYS 177 CO 0.42 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1dqn n GLY 178 N -0.26 0.52 3.95 -3.33 0.00 -1.26 -5.02 105.19 99.79 1dqn n GLY 178 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1dqn n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dqn s SER 179 N -2.18 6.06 -0.11 1.61 1.04 -1.18 -4.33 113.70 114.61 1dqn s SER 179 Ca 0.00 0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1dqn s SER 179 Cb 0.00 -1.73 0.05 0.00 0.10 0.00 0.00 66.02 64.44 1dqn s SER 179 CO 0.00 -0.48 0.08 0.86 0.98 0.00 0.00 173.24 174.69 1dqn s TRP 180 N -2.40 0.10 0.08 5.02 -0.11 -1.26 -4.93 118.94 115.44 1dqn s TRP 180 Ca 0.44 -0.00 -0.08 0.00 1.22 0.00 0.00 56.10 57.67 1dqn s TRP 180 Cb -0.10 -0.57 -0.06 0.00 -1.50 0.00 0.00 33.47 31.25 1dqn s TRP 180 CO 0.36 -0.36 0.38 -0.51 -4.62 0.00 0.00 176.95 172.19 1dqn s LEU 181 N 2.17 4.34 0.02 5.86 1.43 -1.26 -1.39 118.68 129.84 1dqn s LEU 181 Ca 0.04 0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1dqn s LEU 181 Cb -0.14 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 1dqn s LEU 181 CO -0.06 0.16 0.05 0.27 0.23 0.00 0.00 176.35 177.00 1dqn s ILE 182 N -1.43 0.10 0.00 -0.59 -5.25 -0.33 -4.81 121.20 108.90 1dqn s ILE 182 Ca 0.34 -0.86 0.00 0.00 -0.99 0.00 0.00 60.65 59.13 1dqn s ILE 182 Cb -0.13 -0.42 0.00 0.00 2.95 0.00 0.00 42.46 44.85 1dqn s ILE 182 CO 0.19 -0.47 0.00 0.61 -1.79 0.00 0.00 174.94 173.47 1dqn n GLY 183 N 1.42 0.72 3.80 6.27 0.00 0.21 -0.98 105.19 116.62 1dqn n GLY 183 Ca -0.23 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 1dqn n GLY 183 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1dqn n PHE 184 N 0.77 -2.30 0.00 1.61 7.35 0.89 -1.02 117.46 124.76 1dqn n PHE 184 Ca 0.00 0.86 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 1dqn n PHE 184 Cb 0.00 -4.02 0.00 0.00 0.35 0.00 0.00 39.48 35.81 1dqn n PHE 184 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dqn n GLY 185 N -1.67 3.20 3.74 7.13 0.00 -0.16 -4.67 105.19 112.76 1dqn n GLY 185 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1dqn n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqn s LEU 186 N 0.00 4.51 0.38 0.99 1.43 -0.19 -4.23 118.68 121.58 1dqn s LEU 186 Ca 0.00 2.00 -0.10 0.00 -1.03 0.00 0.00 54.13 55.00 1dqn s LEU 186 Cb 0.00 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 1dqn s LEU 186 CO 0.00 -0.14 0.73 1.51 0.23 0.00 0.00 176.35 178.68 1dqn s ASP 187 N -0.19 6.52 -0.71 2.29 -4.77 -1.26 -0.62 116.67 117.92 1dqn s ASP 187 Ca 0.48 1.07 -0.03 0.00 -3.30 0.00 0.00 52.55 50.77 1dqn s ASP 187 Cb -0.27 -2.30 0.18 0.00 -1.09 0.00 0.00 42.92 39.44 1dqn s ASP 187 CO 0.33 -0.36 0.55 -0.62 0.70 0.00 0.00 175.17 175.77 1dqn s ASP 188 N -3.12 5.49 -1.41 2.11 2.15 0.11 -4.58 116.67 117.41 1dqn s ASP 188 Ca 0.50 -3.12 -0.09 0.00 0.43 0.00 0.00 52.55 50.28 1dqn s ASP 188 Cb -0.10 -1.88 0.04 0.00 -0.30 0.00 0.00 42.92 40.68 1dqn s ASP 188 CO 0.31 -0.32 0.99 0.59 -0.17 0.00 0.00 175.17 176.57 1dqn n ASN 189 N 3.14 -4.31 0.00 -0.34 5.03 -1.26 -1.62 115.26 115.91 1dqn n ASN 189 Ca 0.12 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1dqn n ASN 189 Cb 0.38 -4.36 0.00 0.00 -1.02 0.00 0.00 39.78 34.78 1dqn n ASN 189 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dqn n GLY 190 N -1.71 3.18 3.98 7.41 0.00 -1.26 -5.04 105.19 111.74 1dqn n GLY 190 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1dqn n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqn s LEU 191 N 0.00 3.29 -1.57 0.99 1.43 -0.64 -4.71 118.68 117.48 1dqn s LEU 191 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1dqn s LEU 191 Cb 0.00 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1dqn s LEU 191 CO 0.00 -0.99 0.00 0.54 0.23 0.00 0.00 176.35 176.13 1dqn n ARG 192 N -1.92 -1.71 0.01 1.70 1.74 -1.26 0.04 116.66 115.26 1dqn n ARG 192 Ca 0.09 0.88 0.02 0.00 -0.77 0.00 0.00 57.85 58.07 1dqn n ARG 192 Cb 0.61 -5.38 0.37 0.00 -1.02 0.00 0.00 32.46 27.04 1dqn n ARG 192 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dqn h ARG 193 N 0.00 0.52 0.00 5.56 3.08 -1.84 -1.95 114.38 119.74 1dqn h ARG 193 Ca -0.37 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1dqn h ARG 193 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1dqn h ARG 193 CO 0.48 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 180.23 1dqn n GLY 194 N -1.19 -0.91 3.55 0.04 0.00 -1.26 -0.98 105.19 104.44 1dqn n GLY 194 Ca 0.02 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1dqn n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dqn s TRP 195 N -2.05 1.80 0.40 1.61 0.52 -0.73 -4.83 118.94 115.66 1dqn s TRP 195 Ca 0.41 0.63 0.12 0.00 0.02 0.00 0.00 56.10 57.28 1dqn s TRP 195 Cb 0.19 -4.19 0.84 0.00 -1.15 0.00 0.00 33.47 29.16 1dqn s TRP 195 CO 0.34 -2.28 1.91 0.00 0.02 0.00 0.00 176.95 176.94 1dqn h ALA 196 N 13.89 1.53 -2.44 0.98 0.00 -1.88 0.25 119.26 131.60 1dqn h ALA 196 Ca -0.27 -0.24 -0.50 0.00 0.00 0.00 0.00 54.91 53.90 1dqn h ALA 196 Cb 1.14 -0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.97 1dqn h ALA 196 CO 1.22 0.34 0.38 -1.01 0.00 0.00 0.00 179.25 180.18 1dqn s HIS 197 N -4.52 2.70 -0.35 0.00 3.76 -1.26 -3.50 115.29 112.12 1dqn s HIS 197 Ca -0.04 1.54 -0.21 0.00 -0.15 0.00 0.00 55.06 56.20 1dqn s HIS 197 Cb 0.15 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.70 1dqn s HIS 197 CO 0.72 -1.56 0.67 -1.17 -0.85 0.00 0.00 174.74 172.55 1dqn s LEU 198 N -4.73 4.22 0.23 0.89 2.96 0.15 -3.01 118.68 119.38 1dqn s LEU 198 Ca 0.67 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.88 1dqn s LEU 198 Cb -0.20 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 1dqn s LEU 198 CO 0.40 -0.61 0.10 -0.36 -1.32 0.00 0.00 176.35 174.56 1dqn s PHE 199 N 2.78 2.96 0.08 5.38 0.40 -0.15 -0.42 117.98 129.01 1dqn s PHE 199 Ca 0.26 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.53 1dqn s PHE 199 Cb -0.14 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 1dqn s PHE 199 CO 0.15 0.55 -0.19 0.34 0.70 0.00 0.00 175.22 176.77 1dqn s ASP 200 N -3.58 2.30 0.00 1.36 2.15 0.91 -1.18 116.67 118.62 1dqn s ASP 200 Ca 0.31 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1dqn s ASP 200 Cb -0.08 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.41 1dqn s ASP 200 CO 0.22 0.05 0.69 2.30 -0.17 0.00 0.00 175.17 178.27 1dqn n ILE 201 N 1.33 0.48 -0.12 4.11 -5.35 -0.49 -0.46 119.36 118.85 1dqn n ILE 201 Ca -0.19 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1dqn n ILE 201 Cb 0.54 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 1dqn n ILE 201 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1dqn n ASN 202 N -0.24 0.60 -4.93 7.28 5.15 -1.26 -4.95 115.26 116.91 1dqn n ASN 202 Ca 0.00 -0.83 -0.25 0.00 -0.60 0.00 0.00 54.58 52.89 1dqn n ASN 202 Cb 0.23 0.24 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 1dqn n ASN 202 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1dqn s LEU 203 N -0.47 3.98 0.65 1.20 1.43 -1.26 -4.83 118.68 119.38 1dqn s LEU 203 Ca 0.00 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 1dqn s LEU 203 Cb 0.00 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1dqn s LEU 203 CO 0.00 -0.30 1.04 -0.94 0.23 0.00 0.00 176.35 176.38 1dqn s SER 204 N -3.83 5.83 0.19 2.29 1.04 -1.26 -4.89 113.70 113.08 1dqn s SER 204 Ca 0.42 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 57.95 1dqn s SER 204 Cb -0.10 -2.16 0.18 0.00 0.10 0.00 0.00 66.02 64.05 1dqn s SER 204 CO 0.36 -1.08 1.77 -0.08 0.98 0.00 0.00 173.24 175.19 1dqn h GLU 205 N -0.44 0.47 -0.97 4.02 4.81 -1.99 -1.56 114.58 118.92 1dqn h GLU 205 Ca -0.45 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1dqn h GLU 205 Cb 1.22 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1dqn h GLU 205 CO 0.63 0.31 0.64 1.03 -0.73 0.00 0.00 179.01 180.89 1dqn h SER 206 N 0.48 1.08 -0.53 1.04 0.87 -1.99 0.31 113.55 114.81 1dqn h SER 206 Ca 0.25 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1dqn h SER 206 Cb 0.21 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1dqn h SER 206 CO -0.20 0.75 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.45 1dqn h GLU 207 N 1.26 0.98 -0.44 2.24 5.08 -1.76 -0.43 114.58 121.52 1dqn h GLU 207 Ca 0.38 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1dqn h GLU 207 Cb -0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1dqn h GLU 207 CO -0.10 1.02 0.02 0.28 -1.00 0.00 0.00 179.01 179.22 1dqn h VAL 208 N 0.85 1.26 -0.75 3.13 2.07 -0.75 -0.88 116.25 121.18 1dqn h VAL 208 Ca 0.14 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1dqn h VAL 208 Cb 0.62 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1dqn h VAL 208 CO 0.04 0.35 0.39 0.74 0.02 0.00 0.00 177.57 179.10 1dqn h THR 209 N 0.61 1.23 -0.50 2.57 2.02 -0.76 -1.30 112.91 116.78 1dqn h THR 209 Ca 0.13 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1dqn h THR 209 Cb 0.46 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1dqn h THR 209 CO 0.02 0.27 -0.04 -0.08 0.37 0.00 0.00 175.52 176.06 1dqn h GLU 210 N 1.05 0.91 -0.16 6.66 4.57 -0.91 -1.18 114.58 125.51 1dqn h GLU 210 Ca 0.26 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1dqn h GLU 210 Cb 0.08 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1dqn h GLU 210 CO -0.04 0.96 0.08 0.35 -1.18 0.00 0.00 179.01 179.18 1dqn h PHE 211 N 0.77 0.15 -0.36 0.92 3.57 -0.82 -2.36 116.94 118.82 1dqn h PHE 211 Ca 0.14 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1dqn h PHE 211 Cb 0.58 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1dqn h PHE 211 CO 0.04 0.08 0.06 0.00 -2.23 0.00 0.00 178.31 176.26 1dqn h ARG 212 N 0.17 0.53 -0.46 1.11 3.08 -1.11 -0.16 114.38 117.54 1dqn h ARG 212 Ca 0.06 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1dqn h ARG 212 Cb 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1dqn h ARG 212 CO -0.04 0.52 0.26 -0.09 -1.07 0.00 0.00 179.97 179.55 1dqn h ARG 213 N 0.52 0.51 -0.28 0.04 2.43 -0.72 0.12 114.38 117.00 1dqn h ARG 213 Ca 0.12 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.07 1dqn h ARG 213 Cb 0.25 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1dqn h ARG 213 CO 0.00 0.34 -0.57 0.00 -1.51 0.00 0.00 179.97 178.23 1dqn h ARG 214 N 0.53 0.88 -0.20 0.20 3.08 -0.95 -2.78 114.38 115.14 1dqn h ARG 214 Ca 0.19 -0.57 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1dqn h ARG 214 Cb 0.03 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1dqn h ARG 214 CO -0.09 1.21 0.04 1.25 -1.07 0.00 0.00 179.97 181.30 1dqn h LEU 215 N 0.67 0.32 -0.37 3.04 5.85 -0.78 -2.29 115.31 121.74 1dqn h LEU 215 Ca 0.01 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1dqn h LEU 215 Cb 1.19 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1dqn h LEU 215 CO 0.13 0.49 0.07 0.74 -0.34 0.00 0.00 178.44 179.53 1dqn h THR 216 N 0.14 0.81 -0.20 1.05 2.02 -0.80 0.51 112.91 116.43 1dqn h THR 216 Ca 0.06 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1dqn h THR 216 Cb 0.30 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1dqn h THR 216 CO 0.00 0.04 -0.15 1.05 0.37 0.00 0.00 175.52 176.83 1dqn h GLU 217 N 0.20 0.33 -0.15 6.66 4.11 -1.45 -1.05 114.58 123.23 1dqn h GLU 217 Ca 0.18 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 1dqn h GLU 217 Cb 0.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1dqn h GLU 217 CO -0.23 0.48 -0.02 1.25 0.07 0.00 0.00 179.01 180.56 1dqn h HIS 218 N 0.31 0.31 -0.63 2.06 2.76 -0.67 -2.88 115.15 116.40 1dqn h HIS 218 Ca 0.06 -0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1dqn h HIS 218 Cb 0.46 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1dqn h HIS 218 CO 0.01 0.54 0.12 0.82 -1.30 0.00 0.00 177.93 178.11 1dqn h ILE 219 N -0.00 1.25 0.00 6.26 2.04 -0.65 -2.44 117.51 123.97 1dqn h ILE 219 Ca 0.04 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1dqn h ILE 219 Cb 0.43 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1dqn h ILE 219 CO 0.01 0.37 -0.07 0.07 0.00 0.00 0.00 178.15 178.53 1dqn h LYS 220 N 0.96 0.00 -0.18 2.37 5.09 -1.17 -1.89 116.57 121.75 1dqn h LYS 220 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.94 1dqn h LYS 220 Cb 0.40 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.73 1dqn h LYS 220 CO 0.01 0.07 0.00 0.41 -2.09 0.00 0.00 179.45 177.84 1dqn n GLY 221 N -0.88 0.55 3.82 0.07 0.00 -0.92 -4.94 105.19 102.88 1dqn n GLY 221 Ca -0.02 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1dqn n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqn s LEU 222 N -1.61 3.63 -0.50 0.99 1.02 -0.71 -5.03 118.68 116.46 1dqn s LEU 222 Ca 0.34 1.72 0.03 0.00 0.02 0.00 0.00 54.13 56.24 1dqn s LEU 222 Cb 0.19 -4.53 0.15 0.00 0.02 0.00 0.00 46.19 42.02 1dqn s LEU 222 CO 0.28 -0.81 0.32 0.21 0.02 0.00 0.00 176.35 176.37 1dqn s ASN 223 N -2.75 3.53 -0.14 2.29 2.47 -1.26 -4.92 114.94 114.16 1dqn s ASN 223 Ca 0.62 -3.02 0.18 0.00 0.42 0.00 0.00 52.86 51.07 1dqn s ASN 223 Cb -0.13 -1.09 0.33 0.00 -1.45 0.00 0.00 41.25 38.91 1dqn s ASN 223 CO 0.30 -0.20 1.19 2.30 -3.72 0.00 0.00 177.10 176.97 1dqn n ILE 224 N 3.02 1.96 -1.68 -5.21 -5.35 -1.26 -5.02 119.36 105.81 1dqn n ILE 224 Ca 0.15 -2.24 -0.45 0.00 -0.27 0.00 0.00 62.75 59.94 1dqn n ILE 224 Cb 0.37 -0.24 -0.03 0.00 -1.74 0.00 0.00 39.64 38.00 1dqn n ILE 224 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1dqn n ASN 225 N -1.29 3.13 0.00 7.28 5.03 -1.26 -1.61 115.26 126.54 1dqn n ASN 225 Ca 0.17 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.73 1dqn n ASN 225 Cb 0.68 -1.46 0.00 0.00 -1.02 0.00 0.00 39.78 37.98 1dqn n ASN 225 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dqn n GLY 226 N 2.76 3.04 0.18 7.41 0.00 -1.26 -4.87 105.19 112.45 1dqn n GLY 226 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1dqn n GLY 226 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dqn h VAL 227 N 0.00 0.97 -3.40 1.61 2.07 -1.70 -3.37 116.25 112.43 1dqn h VAL 227 Ca 0.00 -0.15 -0.59 0.00 0.82 0.00 0.00 66.70 66.78 1dqn h VAL 227 Cb 0.00 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 1dqn h VAL 227 CO 0.00 0.08 0.65 0.21 0.02 0.00 0.00 177.57 178.53 1dqn s ASN 228 N -5.47 6.78 0.00 0.57 2.47 -1.26 -4.89 114.94 113.14 1dqn s ASN 228 Ca -0.13 0.79 0.25 0.00 0.42 0.00 0.00 52.86 54.19 1dqn s ASN 228 Cb 0.12 -2.48 0.35 0.00 -1.45 0.00 0.00 41.25 37.79 1dqn s ASN 228 CO 0.72 -0.81 1.34 0.54 -3.72 0.00 0.00 177.10 175.17 1dqn n ARG 229 N 6.68 2.00 0.00 0.43 1.74 -1.26 -5.11 116.66 121.14 1dqn n ARG 229 Ca 0.08 -1.57 0.13 0.00 -0.77 0.00 0.00 57.85 55.73 1dqn n ARG 229 Cb 0.48 -1.47 0.41 0.00 -1.02 0.00 0.00 32.46 30.86 1dqn n ARG 229 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77