#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqo h PRO -1 N 0.00 0.00 -0.43 -0.67 0.13 -2.06 0.14 132.00 129.12 3dqo h PRO -1 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 3dqo h PRO -1 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3dqo h PRO -1 CO 0.00 0.00 -0.21 1.98 -0.23 0.00 0.00 178.00 179.54 3dqo h MET 0 N 0.00 0.89 -0.10 0.86 1.85 -2.03 -2.20 114.93 114.21 3dqo h MET 0 Ca 0.00 -0.39 -0.01 0.00 -0.61 0.00 0.00 59.70 58.69 3dqo h MET 0 Cb 0.17 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.17 3dqo h MET 0 CO 0.00 1.04 0.04 0.28 -0.40 0.00 0.00 176.91 177.87 3dqo h VAL 1 N 0.72 1.14 -0.96 -5.77 2.07 -1.14 -2.77 116.25 109.53 3dqo h VAL 1 Ca 0.10 -0.43 0.26 0.00 0.82 0.00 0.00 66.70 67.45 3dqo h VAL 1 Cb 0.77 1.25 -0.13 0.00 -1.52 0.00 0.00 31.29 31.66 3dqo h VAL 1 CO 0.06 0.13 0.50 -1.28 0.02 0.00 0.00 177.57 177.00 3dqo h SER 2 N 0.00 0.47 -0.40 0.57 0.87 -1.22 -1.04 113.55 112.80 3dqo h SER 2 Ca 0.03 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3dqo h SER 2 Cb 0.17 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3dqo h SER 2 CO -0.00 -0.03 0.13 0.50 -0.53 0.00 0.00 176.83 176.90 3dqo h LYS 3 N 0.41 0.61 -0.48 2.24 3.64 -1.10 0.11 116.57 122.00 3dqo h LYS 3 Ca 0.64 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.85 3dqo h LYS 3 Cb 1.32 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3dqo h LYS 3 CO -0.55 0.61 0.13 0.78 -2.27 0.00 0.00 179.45 178.15 3dqo h GLY 4 N 0.49 0.82 1.01 5.01 0.00 -1.40 -2.47 103.07 106.53 3dqo h GLY 4 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3dqo h GLY 4 CO -0.01 0.47 0.45 0.83 0.00 0.00 0.00 176.54 178.28 3dqo h GLU 5 N 0.65 0.98 0.00 4.80 5.08 -0.50 -0.97 114.58 124.63 3dqo h GLU 5 Ca 0.15 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3dqo h GLU 5 Cb 0.30 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3dqo h GLU 5 CO -0.00 0.69 -0.47 0.93 -1.00 0.00 0.00 179.01 179.16 3dqo h GLU 6 N 0.99 0.00 0.01 2.33 5.08 -0.75 -0.51 114.58 121.73 3dqo h GLU 6 Ca 0.26 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 3dqo h GLU 6 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3dqo h GLU 6 CO -0.05 0.47 -0.95 -0.07 -1.00 0.00 0.00 179.01 177.40 3dqo h LEU 7 N 0.00 0.49 -1.98 1.33 3.38 -0.94 -3.34 115.31 114.25 3dqo h LEU 7 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3dqo h LEU 7 Cb 0.88 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3dqo h LEU 7 CO 0.06 1.20 0.00 0.49 0.09 0.00 0.00 178.44 180.29 3dqo n PHE 8 N -3.72 0.14 -0.36 1.13 3.01 -0.42 -4.89 117.46 112.35 3dqo n PHE 8 Ca -0.06 -0.07 0.07 0.00 1.01 0.00 0.00 57.45 58.39 3dqo n PHE 8 Cb 0.84 -0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.47 3dqo n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3dqo n THR 9 N 1.27 -0.42 0.00 4.37 -2.24 -0.21 -4.36 114.28 112.69 3dqo n THR 9 Ca 0.14 2.27 0.00 0.00 -2.27 0.00 0.00 64.05 64.20 3dqo n THR 9 Cb 0.55 -3.17 0.00 0.00 -2.10 0.00 0.00 70.33 65.61 3dqo n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqo n GLY 10 N -1.61 3.24 3.66 3.38 0.00 -1.26 -4.74 105.19 107.86 3dqo n GLY 10 Ca 0.17 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3dqo n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqo s VAL 11 N 3.98 5.16 -0.14 1.61 1.01 -1.26 -4.38 120.40 126.38 3dqo s VAL 11 Ca 0.00 0.77 -0.00 0.00 0.00 0.00 0.00 61.98 62.75 3dqo s VAL 11 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3dqo s VAL 11 CO 0.00 0.21 -0.13 -0.69 0.00 0.00 0.00 175.10 174.49 3dqo s VAL 12 N 1.54 3.04 0.54 2.92 1.01 0.25 -4.94 120.40 124.76 3dqo s VAL 12 Ca 0.20 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 3dqo s VAL 12 Cb -0.15 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3dqo s VAL 12 CO 0.09 0.52 1.16 -2.16 0.00 0.00 0.00 175.10 174.70 3dqo s PRO 13 N 0.44 3.32 -0.01 2.72 0.04 -1.26 -0.51 135.00 139.74 3dqo s PRO 13 Ca -0.10 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.70 3dqo s PRO 13 Cb -0.16 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3dqo s PRO 13 CO 0.05 -0.90 -0.17 0.42 0.04 0.00 0.00 177.00 176.44 3dqo s ILE 14 N -1.68 1.33 -0.05 0.56 1.01 -0.08 -0.95 121.20 121.33 3dqo s ILE 14 Ca 0.73 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3dqo s ILE 14 Cb -0.26 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3dqo s ILE 14 CO 0.30 0.37 -0.15 -0.22 0.00 0.00 0.00 174.94 175.23 3dqo s LEU 15 N -0.42 1.84 -0.03 2.97 2.96 -0.34 -2.26 118.68 123.39 3dqo s LEU 15 Ca 0.06 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 3dqo s LEU 15 Cb -0.07 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.69 3dqo s LEU 15 CO -0.01 0.11 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.20 3dqo s VAL 16 N 0.25 1.96 -0.04 1.68 1.01 0.21 -1.33 120.40 124.14 3dqo s VAL 16 Ca -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.86 3dqo s VAL 16 Cb -0.13 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3dqo s VAL 16 CO 0.03 0.55 -0.03 -1.61 0.00 0.00 0.00 175.10 174.04 3dqo s GLU 17 N -0.47 0.66 -0.06 2.72 0.41 -0.34 -0.43 118.70 121.20 3dqo s GLU 17 Ca 0.06 -0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.60 3dqo s GLU 17 Cb -0.11 -0.72 0.01 0.00 -1.78 0.00 0.00 34.13 31.53 3dqo s GLU 17 CO 0.00 -0.09 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.37 3dqo s LEU 18 N 0.93 1.75 -0.19 1.80 0.20 0.10 -0.99 118.68 122.27 3dqo s LEU 18 Ca -0.11 -0.31 -0.05 0.00 0.69 0.00 0.00 54.13 54.35 3dqo s LEU 18 Cb -0.14 -0.85 -0.03 0.00 -0.43 0.00 0.00 46.19 44.74 3dqo s LEU 18 CO -0.00 0.07 0.00 -1.81 -0.29 0.00 0.00 176.35 174.32 3dqo s ASP 19 N 0.43 4.89 0.06 3.68 1.01 -0.63 -1.06 116.67 125.05 3dqo s ASP 19 Ca -0.11 -0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.03 3dqo s ASP 19 Cb -0.14 -1.83 -0.03 0.00 1.01 0.00 0.00 42.92 41.93 3dqo s ASP 19 CO 0.03 0.08 -0.13 -0.83 0.21 0.00 0.00 175.17 174.53 3dqo s GLY 20 N 0.89 0.79 -0.15 0.21 0.00 0.50 -0.60 107.32 108.97 3dqo s GLY 20 Ca 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 3dqo s GLY 20 CO 0.02 -0.93 0.16 -0.35 0.00 0.00 0.00 173.10 172.00 3dqo s ASP 21 N -1.53 1.42 -0.28 1.64 -1.08 -0.51 -1.23 116.67 115.10 3dqo s ASP 21 Ca -0.02 -0.13 0.03 0.00 -0.52 0.00 0.00 52.55 51.91 3dqo s ASP 21 Cb -0.09 0.15 0.07 0.00 -1.46 0.00 0.00 42.92 41.59 3dqo s ASP 21 CO 0.02 -0.30 -0.05 -0.69 0.52 0.00 0.00 175.17 174.66 3dqo s VAL 22 N 2.26 2.09 -1.57 1.11 1.01 -0.62 0.08 120.40 124.75 3dqo s VAL 22 Ca 0.04 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.21 3dqo s VAL 22 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3dqo s VAL 22 CO -0.09 -0.22 0.28 0.59 0.00 0.00 0.00 175.10 175.66 3dqo n ASN 23 N 4.42 -5.58 0.00 3.32 4.13 0.09 -0.73 115.26 120.91 3dqo n ASN 23 Ca -0.08 -0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.05 3dqo n ASN 23 Cb 0.42 -4.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.07 3dqo n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqo n GLY 24 N -1.20 0.65 3.53 7.41 0.00 -1.26 -4.98 105.19 109.33 3dqo n GLY 24 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3dqo n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqo s HIS 25 N -2.72 2.48 0.34 1.61 3.76 0.09 -5.02 115.29 115.83 3dqo s HIS 25 Ca 0.00 -0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 54.20 3dqo s HIS 25 Cb 0.00 -4.56 -0.09 0.00 1.11 0.00 0.00 32.58 29.03 3dqo s HIS 25 CO 0.00 -1.92 1.08 0.15 -0.85 0.00 0.00 174.74 173.20 3dqo s LYS 26 N 5.02 4.39 0.09 1.40 1.02 -1.26 -1.59 119.74 128.80 3dqo s LYS 26 Ca 0.35 1.68 -0.26 0.00 0.02 0.00 0.00 55.97 57.77 3dqo s LYS 26 Cb -0.07 -2.87 0.08 0.00 -0.52 0.00 0.00 37.83 34.45 3dqo s LYS 26 CO 0.06 0.02 0.76 -0.59 -0.92 0.00 0.00 175.35 174.68 3dqo s PHE 27 N -1.39 -0.40 0.01 3.18 -0.71 -0.36 -4.95 117.98 113.36 3dqo s PHE 27 Ca 0.51 0.21 0.03 0.00 -1.04 0.00 0.00 56.93 56.64 3dqo s PHE 27 Cb -0.28 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.08 3dqo s PHE 27 CO 0.35 -0.73 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.30 3dqo s SER 28 N -2.65 0.95 -0.05 1.98 0.01 -1.26 -0.37 113.70 112.31 3dqo s SER 28 Ca 0.04 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.04 3dqo s SER 28 Cb -0.01 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.17 3dqo s SER 28 CO -0.09 -0.00 -0.11 -0.69 0.41 0.00 0.00 173.24 172.76 3dqo s VAL 29 N -0.59 0.99 -0.06 3.43 1.01 -0.22 -1.59 120.40 123.36 3dqo s VAL 29 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3dqo s VAL 29 Cb -0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3dqo s VAL 29 CO 0.00 0.31 -0.10 -0.44 0.00 0.00 0.00 175.10 174.87 3dqo s SER 30 N 0.50 4.34 0.07 3.32 0.01 -0.53 0.01 113.70 121.42 3dqo s SER 30 Ca -0.10 -0.11 0.05 0.00 1.31 0.00 0.00 55.95 57.10 3dqo s SER 30 Cb -0.13 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 3dqo s SER 30 CO 0.02 0.35 -0.13 -0.83 0.41 0.00 0.00 173.24 173.06 3dqo s GLY 31 N -0.80 0.81 0.02 3.44 0.00 0.43 -0.58 107.32 110.63 3dqo s GLY 31 Ca 0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 43.85 3dqo s GLY 31 CO 0.01 -1.01 0.02 -0.54 0.00 0.00 0.00 173.10 171.58 3dqo s GLU 32 N -1.76 0.37 0.00 2.90 2.02 -0.66 -0.62 118.70 120.94 3dqo s GLU 32 Ca -0.03 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3dqo s GLU 32 Cb -0.10 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.27 3dqo s GLU 32 CO 0.02 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.64 3dqo n GLY 33 N 1.53 -0.67 3.30 -1.39 0.00 -0.96 -0.97 105.19 106.02 3dqo n GLY 33 Ca -0.24 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 3dqo n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqo s GLU 34 N -1.09 0.84 0.04 1.61 -1.05 -0.06 -0.90 118.70 118.10 3dqo s GLU 34 Ca 0.00 -0.33 0.07 0.00 -0.15 0.00 0.00 54.97 54.57 3dqo s GLU 34 Cb 0.00 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.04 3dqo s GLU 34 CO 0.00 -0.27 -0.20 0.20 0.95 0.00 0.00 175.26 175.93 3dqo s GLY 35 N -1.82 1.10 -0.39 -3.83 0.00 0.33 -1.50 107.32 101.22 3dqo s GLY 35 Ca -0.07 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.61 3dqo s GLY 35 CO -0.00 -0.97 0.22 -0.35 0.00 0.00 0.00 173.10 171.99 3dqo s ASP 36 N -1.18 3.27 0.55 1.64 -1.08 0.48 -0.59 116.67 119.76 3dqo s ASP 36 Ca 0.07 -2.35 0.31 0.00 -0.52 0.00 0.00 52.55 50.06 3dqo s ASP 36 Cb -0.09 -0.67 1.62 0.00 -1.46 0.00 0.00 42.92 42.33 3dqo s ASP 36 CO 0.02 -0.29 2.12 0.00 0.52 0.00 0.00 175.17 177.53 3dqo h ALA 37 N 6.93 1.21 -0.54 3.66 0.00 -1.76 -1.13 119.26 127.63 3dqo h ALA 37 Ca 0.03 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dqo h ALA 37 Cb 0.95 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3dqo h ALA 37 CO 0.36 0.10 0.36 1.15 0.00 0.00 0.00 179.25 181.21 3dqo h THR 38 N 0.00 1.04 -0.06 0.00 2.02 -1.85 -2.22 112.91 111.85 3dqo h THR 38 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3dqo h THR 38 Cb 0.29 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3dqo h THR 38 CO 0.01 0.11 0.00 -1.22 0.37 0.00 0.00 175.52 174.79 3dqo n TYR 39 N -4.47 0.05 -2.39 3.16 4.01 -0.73 -4.92 117.16 111.87 3dqo n TYR 39 Ca 0.07 -0.04 -0.18 0.00 -0.16 0.00 0.00 57.90 57.59 3dqo n TYR 39 Cb 0.17 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 3dqo n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqo n GLY 40 N 0.89 -0.38 3.50 2.72 0.00 -0.75 -4.71 105.19 106.46 3dqo n GLY 40 Ca 0.10 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3dqo n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqo s LYS 41 N -4.96 3.69 -0.06 1.61 2.20 -0.51 -1.00 119.74 120.71 3dqo s LYS 41 Ca 0.02 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.17 3dqo s LYS 41 Cb -0.01 -2.97 -0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3dqo s LYS 41 CO 0.03 0.20 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.49 3dqo s LEU 42 N 0.48 1.99 -0.13 5.43 1.02 -0.25 -0.39 118.68 126.83 3dqo s LEU 42 Ca -0.02 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.67 3dqo s LEU 42 Cb -0.14 -1.22 0.02 0.00 0.02 0.00 0.00 46.19 44.87 3dqo s LEU 42 CO 0.02 0.18 -0.13 -0.89 0.02 0.00 0.00 176.35 175.56 3dqo s THR 43 N 0.10 1.41 -0.03 5.49 2.01 -0.56 -1.62 115.64 122.44 3dqo s THR 43 Ca -0.09 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 3dqo s THR 43 Cb -0.14 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.03 3dqo s THR 43 CO 0.05 0.43 0.15 -0.76 -0.69 0.00 0.00 174.62 173.79 3dqo s LEU 44 N 1.45 1.48 -0.11 4.42 1.43 -0.39 -0.88 118.68 126.07 3dqo s LEU 44 Ca 0.03 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3dqo s LEU 44 Cb -0.13 0.60 0.02 0.00 0.03 0.00 0.00 46.19 46.70 3dqo s LEU 44 CO -0.08 -0.20 -0.15 -0.75 0.23 0.00 0.00 176.35 175.40 3dqo s LYS 45 N -0.59 2.17 -0.12 1.70 2.20 -0.14 -0.46 119.74 124.51 3dqo s LYS 45 Ca -0.07 -0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 54.99 3dqo s LYS 45 Cb -0.04 -1.88 -0.03 0.00 -1.51 0.00 0.00 37.83 34.37 3dqo s LYS 45 CO 0.01 -0.10 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.79 3dqo s PHE 46 N 1.09 2.99 -0.09 4.03 0.08 0.58 -1.65 117.98 125.00 3dqo s PHE 46 Ca -0.05 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.86 3dqo s PHE 46 Cb -0.14 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3dqo s PHE 46 CO -0.03 0.12 -0.19 0.42 -0.10 0.00 0.00 175.22 175.44 3dqo s ILE 47 N -0.14 1.65 -0.43 0.64 1.01 0.25 -0.60 121.20 123.57 3dqo s ILE 47 Ca 0.02 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 3dqo s ILE 47 Cb -0.13 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.92 3dqo s ILE 47 CO 0.03 0.47 1.06 0.00 0.00 0.00 0.00 174.94 176.50 3dqo n THR 49 N 6.48 0.00 0.30 0.00 -2.24 -0.62 -3.65 114.28 114.55 3dqo n THR 49 Ca 0.10 -0.20 0.06 0.00 -2.27 0.00 0.00 64.05 61.74 3dqo n THR 49 Cb 0.48 0.30 0.08 0.00 -2.10 0.00 0.00 70.33 69.10 3dqo n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqo n THR 50 N -0.05 0.29 0.00 4.28 -2.24 -1.26 -4.99 114.28 110.31 3dqo n THR 50 Ca 0.20 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3dqo n THR 50 Cb 0.31 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 3dqo n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqo n GLY 51 N 0.67 0.21 3.73 3.38 0.00 -1.24 -5.00 105.19 106.93 3dqo n GLY 51 Ca 0.09 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3dqo n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqo s LYS 52 N 0.00 4.42 -0.05 1.61 2.20 -1.26 -4.40 119.74 122.26 3dqo s LYS 52 Ca 0.00 1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 57.25 3dqo s LYS 52 Cb 0.00 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 3dqo s LYS 52 CO 0.00 -0.22 0.99 -1.17 -0.36 0.00 0.00 175.35 174.59 3dqo s LEU 53 N 0.26 4.31 0.00 5.43 2.96 -1.26 -4.92 118.68 125.45 3dqo s LEU 53 Ca 0.57 1.59 0.31 0.00 -0.22 0.00 0.00 54.13 56.37 3dqo s LEU 53 Cb -0.34 -3.55 1.64 0.00 0.50 0.00 0.00 46.19 44.44 3dqo s LEU 53 CO 0.35 -0.35 2.09 -0.81 -1.32 0.00 0.00 176.35 176.31 3dqo n PRO 54 N 4.44 0.84 -4.44 0.98 -0.04 -1.26 -4.80 135.00 130.72 3dqo n PRO 54 Ca 0.07 -0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.21 3dqo n PRO 54 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 3dqo n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dqo s VAL 55 N -2.23 1.85 0.14 0.52 -7.23 -1.26 -4.55 120.40 107.63 3dqo s VAL 55 Ca 0.39 -2.18 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 3dqo s VAL 55 Cb 0.21 -2.41 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 3dqo s VAL 55 CO 0.41 -0.34 1.60 -2.84 -0.31 0.00 0.00 175.10 173.62 3dqo s PRO 56 N -3.67 4.21 0.28 4.82 0.02 -1.26 -4.93 135.00 134.47 3dqo s PRO 56 Ca 0.29 2.36 -0.04 0.00 0.02 0.00 0.00 61.00 63.63 3dqo s PRO 56 Cb 0.02 -3.27 0.58 0.00 0.02 0.00 0.00 34.50 31.84 3dqo s PRO 56 CO 0.12 -0.64 1.58 -1.49 -0.33 0.00 0.00 177.00 176.24 3dqo h TRP 57 N 7.22 -0.22 -0.61 6.54 4.06 -1.96 -1.20 115.95 129.78 3dqo h TRP 57 Ca -0.43 0.07 0.13 0.00 2.06 0.00 0.00 58.89 60.72 3dqo h TRP 57 Cb 1.20 0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 29.57 3dqo h TRP 57 CO 0.68 -0.39 0.42 -1.35 -3.56 0.00 0.00 178.44 174.24 3dqo h PRO 58 N 0.02 0.28 0.00 0.49 0.11 -1.89 0.26 132.00 131.27 3dqo h PRO 58 Ca 0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3dqo h PRO 58 Cb 0.94 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3dqo h PRO 58 CO -0.90 0.19 0.00 0.25 -0.21 0.00 0.00 178.00 177.33 3dqo n THR 59 N -4.45 0.94 1.00 -1.15 -2.24 -0.45 -2.47 114.28 105.45 3dqo n THR 59 Ca 0.11 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 3dqo n THR 59 Cb 0.48 -1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 3dqo n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dqo n LEU 60 N -1.78 1.19 -0.19 3.22 4.77 0.07 -4.65 117.00 119.62 3dqo n LEU 60 Ca 0.03 -0.55 -0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3dqo n LEU 60 Cb 0.19 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3dqo n LEU 60 CO 0.16 0.27 0.94 0.58 -1.33 0.00 0.00 177.39 178.01 3dqo h VAL 61 N 0.45 0.69 -0.00 4.08 2.07 -1.45 -0.40 116.25 121.69 3dqo h VAL 61 Ca 0.00 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3dqo h VAL 61 Cb 0.55 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3dqo h VAL 61 CO 0.00 0.05 -0.26 0.71 0.02 0.00 0.00 177.57 178.09 3dqo h THR 62 N 0.29 1.19 -0.01 2.57 1.35 -1.82 -3.01 112.91 113.47 3dqo h THR 62 Ca 0.30 -0.90 -0.11 0.00 -0.55 0.00 0.00 66.41 65.15 3dqo h THR 62 Cb 0.42 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3dqo h THR 62 CO -0.36 0.26 -0.42 0.74 -0.25 0.00 0.00 175.52 175.49 3dqo h THR 63 N 0.00 1.48 0.00 6.82 2.02 -1.65 -3.45 112.91 118.14 3dqo h THR 63 Ca -0.00 -2.00 -0.14 0.00 0.77 0.00 0.00 66.41 65.04 3dqo h THR 63 Cb 0.46 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 3dqo h THR 63 CO 0.03 0.56 1.01 0.49 0.37 0.00 0.00 175.52 177.99 3dqo n PHE 64 N -4.36 0.38 0.00 3.16 3.72 -0.24 -5.06 117.46 115.05 3dqo n PHE 64 Ca -0.10 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.38 3dqo n PHE 64 Cb 0.58 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 3dqo n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqo n LEU 68 N 3.59 0.00 0.17 4.37 4.77 -1.26 -5.06 117.00 123.57 3dqo n LEU 68 Ca 0.21 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 3dqo n LEU 68 Cb 0.21 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.84 3dqo n LEU 68 CO 0.40 0.00 0.89 0.24 -1.33 0.00 0.00 177.39 177.59 3dqo h MET 69 N 0.00 0.00 0.00 3.23 2.86 -1.99 -2.20 114.93 116.83 3dqo h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dqo h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dqo h MET 69 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3dqo n PHE 71 N -1.77 0.17 -1.73 0.00 3.72 -0.83 -4.67 117.46 112.35 3dqo n PHE 71 Ca 0.01 -0.09 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 3dqo n PHE 71 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3dqo n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqo n ALA 72 N 0.74 1.72 -2.64 4.37 0.00 -0.92 -4.01 120.51 119.77 3dqo n ALA 72 Ca 0.17 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 3dqo n ALA 72 Cb 0.45 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 3dqo n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dqo s ARG 73 N -2.12 3.36 -0.23 0.00 3.52 0.17 -4.75 118.95 118.89 3dqo s ARG 73 Ca 0.57 -0.18 -0.26 0.00 -0.13 0.00 0.00 55.73 55.73 3dqo s ARG 73 Cb -0.51 -4.06 -0.00 0.00 -1.56 0.00 0.00 34.95 28.83 3dqo s ARG 73 CO 0.61 -1.56 0.91 0.71 -0.81 0.00 0.00 175.30 175.15 3dqo s TYR 74 N 4.22 3.33 0.72 5.12 1.51 -1.26 -0.35 117.35 130.63 3dqo s TYR 74 Ca 0.33 1.26 -0.16 0.00 -1.01 0.00 0.00 57.07 57.49 3dqo s TYR 74 Cb -0.12 -3.13 -0.02 0.00 -0.11 0.00 0.00 41.96 38.58 3dqo s TYR 74 CO 0.20 -0.42 0.68 -2.30 -1.11 0.00 0.00 175.55 172.60 3dqo n PRO 75 N 6.08 0.37 -0.26 -1.71 -0.02 -1.26 -4.78 135.00 133.42 3dqo n PRO 75 Ca 0.08 0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.78 3dqo n PRO 75 Cb 0.47 -1.96 0.16 0.00 -0.02 0.00 0.00 33.50 32.15 3dqo n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqo h ASP 76 N -0.33 -0.33 0.24 2.55 3.58 -2.00 0.12 116.42 120.25 3dqo h ASP 76 Ca -0.46 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3dqo h ASP 76 Cb 1.34 0.34 0.00 0.00 1.72 0.00 0.00 39.33 42.74 3dqo h ASP 76 CO 0.44 -0.18 0.00 1.12 -2.88 0.00 0.00 179.24 177.74 3dqo h HIS 77 N 0.11 0.00 -0.14 0.28 2.07 -1.96 -2.57 115.15 112.94 3dqo h HIS 77 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 3dqo h HIS 77 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 3dqo h HIS 77 CO -0.42 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.11 3dqo n MET 78 N -2.49 1.47 0.17 5.12 2.81 0.00 -4.69 117.12 119.52 3dqo n MET 78 Ca -0.01 -1.57 0.16 0.00 -1.81 0.00 0.00 57.70 54.48 3dqo n MET 78 Cb 0.10 -1.28 0.77 0.00 -0.71 0.00 0.00 33.22 32.10 3dqo n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqo h LYS 79 N 2.63 0.00 0.00 0.03 1.57 -1.14 0.39 116.57 120.04 3dqo h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dqo h LYS 79 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3dqo h LYS 79 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 3dqo n GLN 80 N -4.06 0.18 -0.20 3.15 6.02 -1.26 -2.92 117.38 118.29 3dqo n GLN 80 Ca 0.03 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 3dqo n GLN 80 Cb 0.34 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.28 3dqo n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqo n HIS 81 N -1.26 0.33 -3.22 1.08 8.25 0.13 -4.70 115.22 115.81 3dqo n HIS 81 Ca 0.06 -0.93 -0.46 0.00 -0.26 0.00 0.00 57.72 56.13 3dqo n HIS 81 Cb 0.09 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 3dqo n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqo s ASP 82 N -2.46 6.94 0.20 0.41 -1.08 -1.15 -4.45 116.67 115.09 3dqo s ASP 82 Ca 0.34 -2.89 -0.11 0.00 -0.52 0.00 0.00 52.55 49.37 3dqo s ASP 82 Cb 0.29 -2.26 0.14 0.00 -1.46 0.00 0.00 42.92 39.62 3dqo s ASP 82 CO 0.05 -0.59 1.87 0.15 0.52 0.00 0.00 175.17 177.17 3dqo h PHE 83 N 7.55 0.91 -0.23 -5.34 3.57 -1.91 -2.95 116.94 118.53 3dqo h PHE 83 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3dqo h PHE 83 Cb 0.97 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3dqo h PHE 83 CO 0.98 0.58 0.11 0.74 -2.23 0.00 0.00 178.31 178.49 3dqo h PHE 84 N 0.97 0.34 0.00 0.41 0.04 -1.88 -1.76 116.94 115.05 3dqo h PHE 84 Ca 0.26 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 3dqo h PHE 84 Cb -0.10 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 3dqo h PHE 84 CO -0.02 0.33 -0.50 0.87 -0.60 0.00 0.00 178.31 178.38 3dqo h LYS 85 N 0.25 0.00 0.00 1.51 1.57 -1.83 -3.22 116.57 114.85 3dqo h LYS 85 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3dqo h LYS 85 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3dqo h LYS 85 CO -0.01 0.50 -0.28 0.66 -0.57 0.00 0.00 179.45 179.75 3dqo h SER 86 N 0.00 0.00 1.01 0.86 4.64 -1.16 -1.99 113.55 116.92 3dqo h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dqo h SER 86 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3dqo h SER 86 CO 0.06 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 3dqo n ALA 87 N -2.47 2.09 -1.94 5.18 0.00 -0.89 -4.80 120.51 117.68 3dqo n ALA 87 Ca -0.02 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 3dqo n ALA 87 Cb 0.33 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 3dqo n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dqo s MET 88 N -3.08 3.83 0.11 0.00 1.00 -0.75 0.01 119.30 120.43 3dqo s MET 88 Ca 0.10 0.78 0.27 0.00 0.00 0.00 0.00 55.69 56.84 3dqo s MET 88 Cb 0.14 -2.19 1.01 0.00 0.00 0.00 0.00 34.83 33.78 3dqo s MET 88 CO 0.48 -0.27 1.83 -0.35 0.00 0.00 0.00 175.02 176.72 3dqo n PRO 89 N -1.75 0.13 -0.23 2.03 -0.04 -1.26 -4.85 135.00 129.03 3dqo n PRO 89 Ca 0.05 0.13 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 3dqo n PRO 89 Cb 0.54 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 3dqo n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqo h GLU 90 N 0.00 0.91 0.00 0.54 3.07 -1.90 -2.65 114.58 114.55 3dqo h GLU 90 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3dqo h GLU 90 Cb 0.60 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3dqo h GLU 90 CO 0.00 0.70 0.00 0.41 -1.40 0.00 0.00 179.01 178.72 3dqo n GLY 91 N -1.04 -0.64 3.15 -3.84 0.00 0.10 -4.68 105.19 98.24 3dqo n GLY 91 Ca 0.05 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 3dqo n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqo s TYR 92 N -0.10 0.82 0.00 1.61 -0.85 0.02 -0.49 117.35 118.36 3dqo s TYR 92 Ca 0.00 -1.09 -0.12 0.00 -0.52 0.00 0.00 57.07 55.34 3dqo s TYR 92 Cb 0.00 -0.50 -0.05 0.00 0.38 0.00 0.00 41.96 41.79 3dqo s TYR 92 CO 0.00 -0.36 0.36 0.08 -1.52 0.00 0.00 175.55 174.12 3dqo s VAL 93 N -3.86 5.12 -0.15 -3.49 1.01 0.43 -0.93 120.40 118.53 3dqo s VAL 93 Ca 0.17 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 3dqo s VAL 93 Cb 0.07 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3dqo s VAL 93 CO -0.03 0.52 -0.07 -1.58 0.00 0.00 0.00 175.10 173.94 3dqo s GLN 94 N -1.27 1.57 0.04 2.72 0.74 0.08 -2.15 119.66 121.38 3dqo s GLN 94 Ca 0.25 -0.45 0.09 0.00 0.05 0.00 0.00 55.36 55.29 3dqo s GLN 94 Cb -0.15 -1.90 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 3dqo s GLN 94 CO 0.13 -0.36 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.05 3dqo s GLU 95 N 1.63 1.89 0.04 1.67 2.02 0.29 -0.72 118.70 125.53 3dqo s GLU 95 Ca 0.02 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.95 3dqo s GLU 95 Cb -0.14 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 3dqo s GLU 95 CO -0.08 0.52 -0.04 1.03 0.02 0.00 0.00 175.26 176.71 3dqo s ARG 96 N -1.20 0.52 -0.09 1.61 0.52 -0.21 -1.33 118.95 118.77 3dqo s ARG 96 Ca 0.12 -0.96 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 3dqo s ARG 96 Cb -0.10 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.43 3dqo s ARG 96 CO 0.02 -0.06 -0.22 0.99 0.02 0.00 0.00 175.30 176.06 3dqo s THR 97 N -2.70 1.88 -0.23 0.02 2.01 -0.43 -1.09 115.64 115.09 3dqo s THR 97 Ca -0.03 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.08 3dqo s THR 97 Cb -0.01 -1.64 0.05 0.00 0.01 0.00 0.00 72.50 70.91 3dqo s THR 97 CO -0.05 0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.66 3dqo s ILE 98 N 0.39 1.97 -0.34 1.82 1.01 0.37 -0.77 121.20 125.66 3dqo s ILE 98 Ca -0.18 -1.35 -0.14 0.00 0.00 0.00 0.00 60.65 58.98 3dqo s ILE 98 Cb -0.17 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3dqo s ILE 98 CO 0.08 0.09 0.29 -0.36 0.00 0.00 0.00 174.94 175.04 3dqo s PHE 99 N 1.22 3.22 -0.28 3.97 0.08 0.89 -0.69 117.98 126.39 3dqo s PHE 99 Ca -0.05 -0.12 -0.21 0.00 0.12 0.00 0.00 56.93 56.68 3dqo s PHE 99 Cb -0.18 -2.56 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 3dqo s PHE 99 CO -0.07 -0.38 0.66 -0.06 -0.10 0.00 0.00 175.22 175.26 3dqo s PHE 100 N 1.85 3.24 0.24 0.36 0.40 -0.11 -0.70 117.98 123.27 3dqo s PHE 100 Ca 0.09 0.72 -0.31 0.00 -0.60 0.00 0.00 56.93 56.82 3dqo s PHE 100 Cb -0.17 -2.96 -0.12 0.00 0.51 0.00 0.00 43.02 40.28 3dqo s PHE 100 CO 0.11 -0.43 1.63 1.17 0.70 0.00 0.00 175.22 178.41 3dqo n LYS 101 N 5.86 2.64 -1.98 0.44 3.00 -0.48 -0.97 118.16 126.66 3dqo n LYS 101 Ca -0.00 0.94 -0.20 0.00 -0.00 0.00 0.00 58.31 59.05 3dqo n LYS 101 Cb 0.49 -2.74 -0.05 0.00 0.00 0.00 0.00 35.03 32.73 3dqo n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dqo n ASP 102 N 3.03 -5.59 0.00 3.14 8.00 -1.26 -4.82 116.55 119.04 3dqo n ASP 102 Ca 0.13 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3dqo n ASP 102 Cb 0.35 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 3dqo n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqo n ASP 103 N -1.56 0.00 -2.35 -2.24 -0.08 -0.14 -4.94 116.55 105.24 3dqo n ASP 103 Ca -0.22 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.01 3dqo n ASP 103 Cb 0.67 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.16 3dqo n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqo n GLY 104 N 0.00 -0.75 3.24 0.27 0.00 -1.21 -4.53 105.19 102.22 3dqo n GLY 104 Ca 0.00 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 3dqo n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqo s ASN 105 N -1.79 2.23 -0.01 1.61 2.20 -0.77 -0.93 114.94 117.49 3dqo s ASN 105 Ca 0.12 -0.65 -0.02 0.00 -0.94 0.00 0.00 52.86 51.37 3dqo s ASN 105 Cb -0.00 -0.11 -0.04 0.00 -2.00 0.00 0.00 41.25 39.09 3dqo s ASN 105 CO 0.09 0.02 0.16 -0.31 -2.94 0.00 0.00 177.10 174.12 3dqo s TYR 106 N -1.17 3.50 -0.11 1.54 2.02 0.13 -1.29 117.35 121.97 3dqo s TYR 106 Ca 0.04 0.32 0.02 0.00 -0.37 0.00 0.00 57.07 57.08 3dqo s TYR 106 Cb -0.10 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 3dqo s TYR 106 CO 0.03 0.63 -0.15 0.15 -1.57 0.00 0.00 175.55 174.64 3dqo s LYS 107 N -1.93 2.22 0.02 -0.62 1.02 0.88 -0.48 119.74 120.85 3dqo s LYS 107 Ca 0.27 -0.56 0.07 0.00 0.02 0.00 0.00 55.97 55.76 3dqo s LYS 107 Cb -0.13 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 3dqo s LYS 107 CO 0.18 -0.06 -0.21 0.95 -0.92 0.00 0.00 175.35 175.30 3dqo s THR 108 N 0.96 1.66 -0.10 2.17 -4.23 -0.25 -0.72 115.64 115.14 3dqo s THR 108 Ca -0.07 -1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3dqo s THR 108 Cb -0.15 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3dqo s THR 108 CO -0.01 0.31 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.72 3dqo s ARG 109 N -0.90 1.30 0.14 3.99 3.52 -0.65 -1.05 118.95 125.30 3dqo s ARG 109 Ca 0.08 -0.17 0.08 0.00 -0.13 0.00 0.00 55.73 55.58 3dqo s ARG 109 Cb -0.08 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 31.87 3dqo s ARG 109 CO 0.01 -0.25 -0.18 0.00 -0.81 0.00 0.00 175.30 174.07 3dqo s ALA 110 N 1.66 1.84 -0.11 6.12 0.00 0.10 -0.84 121.76 130.52 3dqo s ALA 110 Ca 0.03 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.61 3dqo s ALA 110 Cb -0.13 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3dqo s ALA 110 CO -0.06 0.22 -0.17 -1.21 0.00 0.00 0.00 175.76 174.54 3dqo s GLU 111 N -2.61 2.40 -0.22 0.00 2.02 -0.26 -0.74 118.70 119.30 3dqo s GLU 111 Ca 0.12 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.47 3dqo s GLU 111 Cb -0.06 -2.00 0.01 0.00 0.10 0.00 0.00 34.13 32.18 3dqo s GLU 111 CO 0.05 -0.04 -0.09 0.08 0.02 0.00 0.00 175.26 175.28 3dqo s VAL 112 N 0.92 2.83 0.16 2.63 1.01 -0.10 -1.40 120.40 126.45 3dqo s VAL 112 Ca -0.07 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 3dqo s VAL 112 Cb -0.15 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.97 3dqo s VAL 112 CO -0.01 0.38 0.70 -1.59 0.00 0.00 0.00 175.10 174.58 3dqo s LYS 113 N 1.37 1.33 0.19 2.72 -2.85 -0.53 -0.80 119.74 121.17 3dqo s LYS 113 Ca 0.04 -0.59 -0.30 0.00 -1.00 0.00 0.00 55.97 54.12 3dqo s LYS 113 Cb -0.15 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 3dqo s LYS 113 CO -0.06 -0.59 1.04 -0.06 0.10 0.00 0.00 175.35 175.77 3dqo s PHE 114 N -3.66 3.72 -0.35 1.78 0.08 -1.00 -0.86 117.98 117.69 3dqo s PHE 114 Ca 0.05 1.72 0.02 0.00 0.12 0.00 0.00 56.93 58.84 3dqo s PHE 114 Cb -0.02 -3.17 0.10 0.00 -0.57 0.00 0.00 43.02 39.36 3dqo s PHE 114 CO -0.06 -0.22 0.08 -1.21 -0.10 0.00 0.00 175.22 173.71 3dqo s GLU 115 N -0.62 1.61 7.64 0.44 0.41 0.01 -4.93 118.70 123.25 3dqo s GLU 115 Ca 0.46 -1.86 0.00 0.00 -0.41 0.00 0.00 54.97 53.17 3dqo s GLU 115 Cb -0.28 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 3dqo s GLU 115 CO 0.34 -0.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.56 3dqo n GLY 116 N 4.33 3.52 0.01 -1.39 0.00 -1.26 -1.83 105.19 108.57 3dqo n GLY 116 Ca 0.02 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.05 3dqo n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqo n ASP 117 N 4.38 0.07 -4.77 1.61 8.00 -1.26 -4.86 116.55 119.71 3dqo n ASP 117 Ca 0.00 0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.29 3dqo n ASP 117 Cb 0.00 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.68 3dqo n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqo s THR 118 N -2.81 5.29 -0.26 -3.53 2.01 -0.76 -4.38 115.64 111.21 3dqo s THR 118 Ca 0.20 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 3dqo s THR 118 Cb 0.19 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3dqo s THR 118 CO 0.51 0.52 0.45 -0.22 -0.69 0.00 0.00 174.62 175.20 3dqo s LEU 119 N -0.27 4.06 -0.06 4.42 1.98 -0.12 -0.81 118.68 127.87 3dqo s LEU 119 Ca 0.10 0.44 0.02 0.00 -2.89 0.00 0.00 54.13 51.80 3dqo s LEU 119 Cb -0.12 -2.57 -0.03 0.00 0.66 0.00 0.00 46.19 44.14 3dqo s LEU 119 CO 0.01 -0.23 -0.10 -0.69 -1.89 0.00 0.00 176.35 173.45 3dqo s VAL 120 N 2.13 3.45 -0.30 1.68 1.01 -0.04 -1.20 120.40 127.13 3dqo s VAL 120 Ca 0.19 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3dqo s VAL 120 Cb -0.16 -2.39 0.09 0.00 0.00 0.00 0.00 36.38 33.92 3dqo s VAL 120 CO 0.09 0.59 0.05 0.21 0.00 0.00 0.00 175.10 176.04 3dqo s ASN 121 N -0.74 4.21 -0.30 3.32 2.47 -0.44 -1.45 114.94 122.00 3dqo s ASN 121 Ca 0.11 -1.69 -0.11 0.00 0.42 0.00 0.00 52.86 51.59 3dqo s ASN 121 Cb -0.11 -1.18 -0.04 0.00 -1.45 0.00 0.00 41.25 38.47 3dqo s ASN 121 CO 0.01 -0.36 0.20 -0.13 -3.72 0.00 0.00 177.10 173.10 3dqo s ARG 122 N 1.34 3.79 -0.03 0.43 0.52 -0.49 -1.20 118.95 123.30 3dqo s ARG 122 Ca 0.07 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 54.90 3dqo s ARG 122 Cb -0.18 -3.70 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 3dqo s ARG 122 CO -0.15 -0.27 -0.21 0.42 0.02 0.00 0.00 175.30 175.12 3dqo s ILE 123 N 1.74 1.67 -0.10 1.52 1.01 -0.16 -1.10 121.20 125.78 3dqo s ILE 123 Ca 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3dqo s ILE 123 Cb -0.16 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 3dqo s ILE 123 CO 0.11 0.47 -0.11 -1.61 0.00 0.00 0.00 174.94 173.79 3dqo s GLU 124 N -0.29 3.04 -0.05 2.79 2.02 -0.02 -1.61 118.70 124.59 3dqo s GLU 124 Ca 0.03 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.40 3dqo s GLU 124 Cb -0.10 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.56 3dqo s GLU 124 CO 0.01 0.42 -0.11 -1.17 0.02 0.00 0.00 175.26 174.42 3dqo s LEU 125 N -0.18 1.71 -0.10 1.80 0.20 0.23 -1.64 118.68 120.71 3dqo s LEU 125 Ca 0.01 -0.25 0.03 0.00 0.69 0.00 0.00 54.13 54.60 3dqo s LEU 125 Cb -0.13 -0.72 0.01 0.00 -0.43 0.00 0.00 46.19 44.91 3dqo s LEU 125 CO 0.03 0.06 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.42 3dqo s LYS 126 N 0.41 2.55 -0.09 1.98 -0.14 0.10 -1.43 119.74 123.13 3dqo s LYS 126 Ca -0.08 -0.70 0.04 0.00 -1.36 0.00 0.00 55.97 53.87 3dqo s LYS 126 Cb -0.12 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 34.00 3dqo s LYS 126 CO 0.02 0.07 -0.21 0.20 -0.76 0.00 0.00 175.35 174.67 3dqo s GLY 127 N 0.60 1.38 0.17 -3.33 0.00 0.11 -0.09 107.32 106.16 3dqo s GLY 127 Ca -0.14 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.63 3dqo s GLY 127 CO 0.04 -0.46 -0.04 -0.26 0.00 0.00 0.00 173.10 172.38 3dqo s ILE 128 N 0.06 0.93 -2.05 0.90 -4.36 -0.41 -0.74 121.20 115.54 3dqo s ILE 128 Ca -0.09 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3dqo s ILE 128 Cb -0.15 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.54 3dqo s ILE 128 CO 0.06 -0.59 0.00 0.47 0.24 0.00 0.00 174.94 175.12 3dqo n ASP 129 N -0.24 -5.40 -4.80 4.36 8.00 -1.26 -1.84 116.55 115.36 3dqo n ASP 129 Ca -0.08 0.39 -0.33 0.00 0.71 0.00 0.00 54.79 55.47 3dqo n ASP 129 Cb 0.62 -4.72 -0.02 0.00 -0.02 0.00 0.00 41.12 36.98 3dqo n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqo s PHE 130 N -2.77 3.04 -0.18 1.24 0.08 -1.26 -3.32 117.98 114.81 3dqo s PHE 130 Ca 0.00 1.55 -0.24 0.00 0.12 0.00 0.00 56.93 58.36 3dqo s PHE 130 Cb 0.00 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 3dqo s PHE 130 CO 0.00 -0.84 0.78 0.15 -0.10 0.00 0.00 175.22 175.21 3dqo s LYS 131 N -3.50 4.27 0.04 0.44 1.02 -1.26 -4.88 119.74 115.86 3dqo s LYS 131 Ca 0.66 0.92 -0.04 0.00 0.02 0.00 0.00 55.97 57.53 3dqo s LYS 131 Cb -0.15 -3.58 0.03 0.00 -0.52 0.00 0.00 37.83 33.61 3dqo s LYS 131 CO 0.25 -0.31 0.27 0.39 -0.92 0.00 0.00 175.35 175.03 3dqo n GLU 132 N 5.19 -0.05 -0.24 1.68 -0.58 -1.26 -1.92 120.64 123.46 3dqo n GLU 132 Ca 0.03 0.26 0.08 0.00 -0.42 0.00 0.00 57.16 57.12 3dqo n GLU 132 Cb 0.49 -0.39 0.18 0.00 -0.57 0.00 0.00 31.44 31.15 3dqo n GLU 132 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3dqo n ASP 133 N -4.24 3.06 -2.17 1.62 5.68 -1.26 -3.68 116.55 115.55 3dqo n ASP 133 Ca 0.01 -2.89 -0.02 0.00 -0.50 0.00 0.00 54.79 51.40 3dqo n ASP 133 Cb 0.06 -0.43 0.01 0.00 -1.14 0.00 0.00 41.12 39.62 3dqo n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqo n GLY 134 N -0.80 0.09 0.25 6.12 0.00 -0.81 -4.74 105.19 105.31 3dqo n GLY 134 Ca 0.17 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.44 3dqo n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqo h ASN 135 N -0.07 0.00 0.00 1.61 2.35 -1.92 -0.18 115.58 117.36 3dqo h ASN 135 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3dqo h ASN 135 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3dqo h ASN 135 CO 0.02 0.16 -0.24 -0.38 -1.65 0.00 0.00 177.43 175.35 3dqo n ILE 136 N -3.57 0.59 0.27 2.81 -0.00 -1.26 -1.46 119.36 116.74 3dqo n ILE 136 Ca -0.01 0.38 0.16 0.00 -0.00 0.00 0.00 62.75 63.28 3dqo n ILE 136 Cb 0.30 -1.87 0.73 0.00 -0.00 0.00 0.00 39.64 38.80 3dqo n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3dqo h LEU 137 N -0.41 0.00 -1.31 1.39 3.38 -1.73 -2.03 115.31 114.60 3dqo h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqo h LEU 137 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dqo h LEU 137 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3dqo n GLY 138 N -0.22 0.53 3.52 0.83 0.00 -0.08 -4.88 105.19 104.89 3dqo n GLY 138 Ca -0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 3dqo n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqo n HIS 139 N 0.53 -2.12 -0.57 1.61 8.25 -0.76 -4.90 115.22 117.26 3dqo n HIS 139 Ca 0.16 0.74 0.07 0.00 -0.26 0.00 0.00 57.72 58.43 3dqo n HIS 139 Cb 0.38 -4.07 0.20 0.00 1.12 0.00 0.00 29.99 27.61 3dqo n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqo n LYS 140 N -3.89 2.87 -3.95 -0.41 5.02 -0.53 -5.00 118.16 112.28 3dqo n LYS 140 Ca -0.16 -2.42 -0.35 0.00 -2.02 0.00 0.00 58.31 53.37 3dqo n LYS 140 Cb 0.63 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 3dqo n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqo s LEU 141 N -1.89 4.26 0.57 -0.35 1.43 -1.25 -0.94 118.68 120.51 3dqo s LEU 141 Ca 0.31 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 3dqo s LEU 141 Cb 0.22 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 3dqo s LEU 141 CO 0.12 0.32 1.05 -1.61 0.23 0.00 0.00 176.35 176.45 3dqo s GLU 142 N -1.56 3.45 -1.28 1.70 2.02 0.48 -4.85 118.70 118.66 3dqo s GLU 142 Ca 0.22 1.20 -0.11 0.00 0.02 0.00 0.00 54.97 56.30 3dqo s GLU 142 Cb -0.12 -2.05 0.16 0.00 0.10 0.00 0.00 34.13 32.22 3dqo s GLU 142 CO 0.12 -0.71 1.80 0.98 0.02 0.00 0.00 175.26 177.47 3dqo n TYR 143 N -1.84 3.45 -3.51 1.61 9.36 -1.26 -4.81 117.16 120.17 3dqo n TYR 143 Ca 0.09 -2.92 -0.05 0.00 3.32 0.00 0.00 57.90 58.33 3dqo n TYR 143 Cb 0.53 -2.05 0.00 0.00 -0.63 0.00 0.00 39.34 37.20 3dqo n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqo n ASN 144 N 4.47 -0.95 -3.64 2.98 0.23 -1.26 -4.91 115.26 112.18 3dqo n ASN 144 Ca 0.40 -1.80 -0.08 0.00 -0.53 0.00 0.00 54.58 52.57 3dqo n ASN 144 Cb 0.38 1.62 -0.07 0.00 -2.08 0.00 0.00 39.78 39.63 3dqo n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqo s TYR 145 N -5.24 -0.75 0.37 -2.53 5.04 -1.26 -4.87 117.35 108.11 3dqo s TYR 145 Ca 0.09 1.65 -0.03 0.00 -2.44 0.00 0.00 57.07 56.34 3dqo s TYR 145 Cb -0.02 0.42 -0.04 0.00 0.35 0.00 0.00 41.96 42.67 3dqo s TYR 145 CO 0.07 -0.37 0.62 -0.80 -1.34 0.00 0.00 175.55 173.73 3dqo s ASN 146 N 0.91 6.34 0.33 4.32 0.01 -1.26 -4.78 114.94 120.81 3dqo s ASN 146 Ca -0.04 0.69 -0.27 0.00 -0.71 0.00 0.00 52.86 52.53 3dqo s ASN 146 Cb -0.05 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.38 3dqo s ASN 146 CO -0.10 -0.34 1.07 -0.44 -1.51 0.00 0.00 177.10 175.78 3dqo s SER 147 N -3.75 7.08 0.01 -1.22 0.01 -1.26 -4.62 113.70 109.95 3dqo s SER 147 Ca 0.44 2.17 -0.08 0.00 1.31 0.00 0.00 55.95 59.79 3dqo s SER 147 Cb -0.10 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3dqo s SER 147 CO 0.36 -0.27 0.15 -1.00 0.41 0.00 0.00 173.24 172.90 3dqo s HIS 148 N -1.35 0.04 -0.09 2.43 3.76 -0.97 -5.03 115.29 114.09 3dqo s HIS 148 Ca 0.50 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 55.19 3dqo s HIS 148 Cb -0.28 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 3dqo s HIS 148 CO 0.36 -0.32 0.12 -0.80 -0.85 0.00 0.00 174.74 173.24 3dqo s ASN 149 N -1.55 6.14 -0.17 1.40 0.02 -1.26 -0.78 114.94 118.74 3dqo s ASN 149 Ca -0.12 0.37 -0.00 0.00 -1.02 0.00 0.00 52.86 52.08 3dqo s ASN 149 Cb -0.06 -1.92 0.00 0.00 0.02 0.00 0.00 41.25 39.29 3dqo s ASN 149 CO 0.00 0.37 -0.15 -0.69 0.02 0.00 0.00 177.10 176.65 3dqo s VAL 150 N -1.07 2.59 -0.25 1.60 1.01 -0.04 -4.85 120.40 119.39 3dqo s VAL 150 Ca 0.17 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 3dqo s VAL 150 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3dqo s VAL 150 CO 0.07 0.51 0.14 -0.31 0.00 0.00 0.00 175.10 175.51 3dqo s TYR 151 N 1.05 3.23 -0.21 5.22 2.02 -1.26 -0.68 117.35 126.71 3dqo s TYR 151 Ca -0.01 0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.62 3dqo s TYR 151 Cb -0.15 -2.28 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 3dqo s TYR 151 CO -0.04 -0.09 0.18 0.42 -1.57 0.00 0.00 175.55 174.44 3dqo s ILE 152 N 1.35 5.37 0.16 2.71 1.01 0.78 -3.96 121.20 128.62 3dqo s ILE 152 Ca 0.07 0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.04 3dqo s ILE 152 Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3dqo s ILE 152 CO 0.06 0.38 -0.14 0.00 0.00 0.00 0.00 174.94 175.25 3dqo s MET 153 N 0.72 1.18 0.53 2.79 0.23 -0.43 -2.37 119.30 121.94 3dqo s MET 153 Ca 0.09 -1.44 -0.21 0.00 -1.03 0.00 0.00 55.69 53.11 3dqo s MET 153 Cb -0.12 -0.99 -0.06 0.00 -1.53 0.00 0.00 34.83 32.12 3dqo s MET 153 CO 0.02 0.17 1.18 0.00 -2.03 0.00 0.00 175.02 174.36 3dqo s ALA 154 N -2.68 2.77 -0.64 3.16 0.00 -1.25 -0.11 121.76 123.01 3dqo s ALA 154 Ca 0.17 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.12 3dqo s ALA 154 Cb -0.02 -3.40 0.19 0.00 0.00 0.00 0.00 23.12 19.89 3dqo s ALA 154 CO 0.05 -0.87 0.54 -3.47 0.00 0.00 0.00 175.76 172.01 3dqo n ASP 155 N -1.06 2.65 -0.26 0.00 2.03 0.29 -4.55 116.55 115.65 3dqo n ASP 155 Ca 0.10 -3.14 -0.07 0.00 0.52 0.00 0.00 54.79 52.20 3dqo n ASP 155 Cb 0.49 -0.71 0.05 0.00 -0.72 0.00 0.00 41.12 40.23 3dqo n ASP 155 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3dqo h LYS 156 N 5.08 1.15 0.00 -0.67 1.57 -1.94 -1.75 116.57 120.01 3dqo h LYS 156 Ca 0.17 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dqo h LYS 156 Cb 0.76 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3dqo h LYS 156 CO 0.69 1.01 0.00 1.96 -0.57 0.00 0.00 179.45 182.54 3dqo h GLN 157 N 1.09 0.00 -0.18 3.15 4.20 -1.94 -1.93 115.11 119.49 3dqo h GLN 157 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3dqo h GLN 157 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3dqo h GLN 157 CO 0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 3dqo n LYS 158 N -2.48 1.96 -3.14 1.46 5.02 -0.71 -5.01 118.16 115.26 3dqo n LYS 158 Ca -0.01 -1.62 -0.23 0.00 -2.02 0.00 0.00 58.31 54.44 3dqo n LYS 158 Cb 0.12 -1.20 0.04 0.00 -0.02 0.00 0.00 35.03 33.96 3dqo n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqo n ASN 159 N 0.38 -5.86 0.00 4.39 5.15 -0.73 -4.80 115.26 113.79 3dqo n ASN 159 Ca 0.08 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 3dqo n ASN 159 Cb 0.33 -4.73 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 3dqo n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqo n GLY 160 N -1.54 4.09 3.26 8.20 0.00 -0.89 -4.32 105.19 113.98 3dqo n GLY 160 Ca -0.09 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 3dqo n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqo s ILE 161 N -0.76 1.13 0.10 -0.61 -4.36 -0.72 -0.55 121.20 115.42 3dqo s ILE 161 Ca 0.00 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 58.37 3dqo s ILE 161 Cb 0.00 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3dqo s ILE 161 CO 0.00 -0.69 -0.09 -1.59 0.24 0.00 0.00 174.94 172.80 3dqo s LYS 162 N -3.77 0.85 -0.16 0.37 -2.85 0.85 -1.27 119.74 113.77 3dqo s LYS 162 Ca 0.18 -1.19 -0.13 0.00 -1.00 0.00 0.00 55.97 53.83 3dqo s LYS 162 Cb 0.03 -0.48 0.04 0.00 -2.06 0.00 0.00 37.83 35.36 3dqo s LYS 162 CO 0.01 0.06 0.41 0.08 0.10 0.00 0.00 175.35 176.02 3dqo s VAL 163 N -2.64 -0.01 -0.05 1.79 1.01 -0.48 -1.32 120.40 118.70 3dqo s VAL 163 Ca 0.07 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3dqo s VAL 163 Cb -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.81 3dqo s VAL 163 CO -0.01 0.01 -0.08 0.21 0.00 0.00 0.00 175.10 175.24 3dqo s ASN 164 N 0.52 1.27 0.12 3.32 3.84 -1.25 -0.70 114.94 122.07 3dqo s ASN 164 Ca -0.02 -0.20 -0.25 0.00 0.21 0.00 0.00 52.86 52.60 3dqo s ASN 164 Cb -0.04 -0.60 0.07 0.00 -0.55 0.00 0.00 41.25 40.13 3dqo s ASN 164 CO -0.03 -0.02 0.72 0.72 -2.79 0.00 0.00 177.10 175.70 3dqo s PHE 165 N 0.80 -0.43 -0.11 0.43 -0.71 -0.40 -4.33 117.98 113.23 3dqo s PHE 165 Ca -0.13 0.21 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 3dqo s PHE 165 Cb -0.15 0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 3dqo s PHE 165 CO 0.02 -0.79 -0.19 0.15 -1.34 0.00 0.00 175.22 173.07 3dqo s LYS 166 N -3.55 3.21 -0.16 1.99 1.02 -1.26 -0.56 119.74 120.43 3dqo s LYS 166 Ca 0.04 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 3dqo s LYS 166 Cb -0.01 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3dqo s LYS 166 CO -0.09 0.19 0.03 0.42 -0.92 0.00 0.00 175.35 174.98 3dqo s ILE 167 N 0.35 4.51 -0.38 2.17 -1.09 -0.53 -4.97 121.20 121.26 3dqo s ILE 167 Ca -0.15 -0.14 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 3dqo s ILE 167 Cb -0.17 -3.00 0.03 0.00 -1.58 0.00 0.00 42.46 37.74 3dqo s ILE 167 CO 0.07 0.50 0.23 -0.13 -1.23 0.00 0.00 174.94 174.38 3dqo s ARG 168 N 0.14 2.87 -0.24 2.79 0.52 -1.26 -0.04 118.95 123.72 3dqo s ARG 168 Ca 0.03 -1.06 -0.19 0.00 -0.52 0.00 0.00 55.73 53.99 3dqo s ARG 168 Cb -0.13 -3.79 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 3dqo s ARG 168 CO 0.01 -0.71 0.58 -1.01 0.02 0.00 0.00 175.30 174.19 3dqo s HIS 169 N 1.59 3.30 0.12 -0.53 3.76 -0.12 -4.63 115.29 118.77 3dqo s HIS 169 Ca 0.03 0.76 -0.31 0.00 -0.15 0.00 0.00 55.06 55.38 3dqo s HIS 169 Cb -0.19 -2.77 -0.10 0.00 1.11 0.00 0.00 32.58 30.63 3dqo s HIS 169 CO 0.07 -0.27 1.64 -0.80 -0.85 0.00 0.00 174.74 174.54 3dqo s ASN 170 N 1.43 6.56 0.27 1.40 0.01 -1.26 -0.50 114.94 122.85 3dqo s ASN 170 Ca 0.24 2.60 -0.06 0.00 -0.71 0.00 0.00 52.86 54.93 3dqo s ASN 170 Cb -0.16 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 3dqo s ASN 170 CO 0.09 -0.88 0.56 -0.63 -1.51 0.00 0.00 177.10 174.73 3dqo s ILE 171 N 1.94 4.99 0.58 0.60 1.01 -0.26 -0.38 121.20 129.67 3dqo s ILE 171 Ca 0.73 0.20 0.28 0.00 0.00 0.00 0.00 60.65 61.86 3dqo s ILE 171 Cb -0.43 -3.70 0.35 0.00 0.01 0.00 0.00 42.46 38.70 3dqo s ILE 171 CO 0.32 -0.25 2.13 1.05 0.00 0.00 0.00 174.94 178.19 3dqo h GLU 172 N 1.94 0.00 -0.00 2.79 4.11 -1.35 -1.00 114.58 121.06 3dqo h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3dqo h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dqo h GLU 172 CO 0.67 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.35 3dqo n ASP 173 N -3.91 0.04 0.00 3.06 5.68 -1.26 -4.90 116.55 115.26 3dqo n ASP 173 Ca 0.01 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 3dqo n ASP 173 Cb 0.27 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3dqo n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqo n GLY 174 N 0.99 2.02 0.00 6.12 0.00 -0.38 -5.08 105.19 108.87 3dqo n GLY 174 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3dqo n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqo n SER 175 N 0.00 0.00 -4.06 1.61 2.88 -1.25 -4.81 113.62 107.99 3dqo n SER 175 Ca 0.00 -0.87 -0.17 0.00 -1.33 0.00 0.00 58.87 56.50 3dqo n SER 175 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3dqo n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqo s VAL 176 N -0.65 0.74 -0.33 2.46 -7.23 -1.26 -1.10 120.40 113.02 3dqo s VAL 176 Ca 0.00 -0.73 -0.07 0.00 -1.81 0.00 0.00 61.98 59.37 3dqo s VAL 176 Cb 0.00 -0.68 0.03 0.00 0.56 0.00 0.00 36.38 36.28 3dqo s VAL 176 CO 0.00 -0.03 0.11 -1.58 -0.31 0.00 0.00 175.10 173.29 3dqo s GLN 177 N -0.85 2.79 0.14 4.82 2.00 0.34 -4.88 119.66 124.02 3dqo s GLN 177 Ca -0.01 -1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 51.98 3dqo s GLN 177 Cb -0.06 -3.47 -0.07 0.00 0.80 0.00 0.00 33.01 30.21 3dqo s GLN 177 CO 0.00 -0.60 1.10 -0.51 -0.50 0.00 0.00 175.29 174.79 3dqo s LEU 178 N 1.45 4.46 -0.35 3.68 1.43 -1.26 -0.95 118.68 127.14 3dqo s LEU 178 Ca 0.00 2.03 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 3dqo s LEU 178 Cb -0.19 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.54 3dqo s LEU 178 CO 0.03 -0.26 0.09 0.00 0.23 0.00 0.00 176.35 176.44 3dqo s ALA 179 N 0.08 2.49 -0.20 4.21 0.00 0.94 -1.38 121.76 127.90 3dqo s ALA 179 Ca 0.51 -2.33 -0.25 0.00 0.00 0.00 0.00 51.96 49.88 3dqo s ALA 179 Cb -0.29 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 3dqo s ALA 179 CO 0.33 -1.72 0.85 -0.51 0.00 0.00 0.00 175.76 174.71 3dqo s ASP 180 N 1.01 6.93 -0.21 0.00 1.11 0.12 -1.46 116.67 124.17 3dqo s ASP 180 Ca 0.11 1.15 -0.08 0.00 0.18 0.00 0.00 52.55 53.91 3dqo s ASP 180 Cb -0.19 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 3dqo s ASP 180 CO -0.12 -0.47 0.09 -1.00 1.18 0.00 0.00 175.17 174.85 3dqo s HIS 181 N 2.49 3.23 -0.07 4.23 3.76 0.28 -0.08 115.29 129.13 3dqo s HIS 181 Ca 0.38 0.01 0.01 0.00 -0.15 0.00 0.00 55.06 55.31 3dqo s HIS 181 Cb -0.16 -2.16 -0.03 0.00 1.11 0.00 0.00 32.58 31.34 3dqo s HIS 181 CO 0.10 0.03 -0.09 0.71 -0.85 0.00 0.00 174.74 174.63 3dqo s TYR 182 N 0.80 2.86 -0.02 1.40 1.51 0.05 -1.28 117.35 122.68 3dqo s TYR 182 Ca 0.05 -0.10 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 3dqo s TYR 182 Cb -0.13 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3dqo s TYR 182 CO 0.02 0.22 0.14 -1.14 -1.11 0.00 0.00 175.55 173.69 3dqo s GLN 183 N -0.63 0.37 -0.01 -0.62 0.74 0.13 -1.32 119.66 118.32 3dqo s GLN 183 Ca 0.09 -0.19 -0.02 0.00 0.05 0.00 0.00 55.36 55.30 3dqo s GLN 183 Cb -0.11 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.16 3dqo s GLN 183 CO 0.02 -0.08 0.04 -1.14 -0.55 0.00 0.00 175.29 173.58 3dqo s GLN 184 N -0.87 0.07 0.03 1.67 0.74 -0.44 -1.38 119.66 119.48 3dqo s GLN 184 Ca -0.10 0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.38 3dqo s GLN 184 Cb -0.05 0.03 -0.02 0.00 1.10 0.00 0.00 33.01 34.07 3dqo s GLN 184 CO 0.01 -0.01 -0.13 -0.80 -0.55 0.00 0.00 175.29 173.81 3dqo s ASN 185 N -0.08 1.54 0.00 6.67 -0.87 -0.39 -0.55 114.94 121.26 3dqo s ASN 185 Ca -0.01 -0.41 -0.03 0.00 -1.57 0.00 0.00 52.86 50.84 3dqo s ASN 185 Cb -0.01 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.25 41.11 3dqo s ASN 185 CO 0.00 0.04 0.05 0.42 -2.57 0.00 0.00 177.10 175.03 3dqo s THR 186 N -0.77 0.07 0.57 1.60 -4.23 -0.91 -1.76 115.64 110.21 3dqo s THR 186 Ca 0.01 -0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 3dqo s THR 186 Cb -0.07 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 3dqo s THR 186 CO 0.01 -0.34 1.11 -2.16 -0.54 0.00 0.00 174.62 172.71 3dqo s PRO 187 N -1.06 3.25 -0.02 3.99 0.04 -1.26 -0.43 135.00 139.51 3dqo s PRO 187 Ca -0.12 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 3dqo s PRO 187 Cb -0.07 -2.00 -0.29 0.00 0.04 0.00 0.00 34.50 32.19 3dqo s PRO 187 CO 0.00 -0.92 0.78 0.82 0.04 0.00 0.00 177.00 177.73 3dqo h ILE 188 N 0.89 1.07 -4.34 0.56 2.04 -1.07 -3.44 117.51 113.22 3dqo h ILE 188 Ca -0.49 -2.69 -0.46 0.00 1.00 0.00 0.00 64.86 62.22 3dqo h ILE 188 Cb 1.25 2.75 0.13 0.00 -0.74 0.00 0.00 36.82 40.21 3dqo h ILE 188 CO 0.56 0.82 0.38 -0.83 0.00 0.00 0.00 178.15 179.08 3dqo s GLY 189 N -5.02 1.64 0.08 5.37 0.00 -1.26 -5.00 107.32 103.13 3dqo s GLY 189 Ca -0.11 -0.78 0.24 0.00 0.00 0.00 0.00 44.72 44.07 3dqo s GLY 189 CO 0.85 -0.18 1.22 1.34 0.00 0.00 0.00 173.10 176.32 3dqo n ASP 190 N -3.59 0.65 -4.73 1.64 2.03 -1.26 -4.97 116.55 106.32 3dqo n ASP 190 Ca 0.10 -0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.05 3dqo n ASP 190 Cb 0.60 0.41 0.10 0.00 -0.72 0.00 0.00 41.12 41.51 3dqo n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqo s GLY 191 N -3.61 2.03 0.73 0.27 0.00 -1.26 -4.98 107.32 100.50 3dqo s GLY 191 Ca 0.06 0.64 -0.14 0.00 0.00 0.00 0.00 44.72 45.28 3dqo s GLY 191 CO 0.75 1.03 1.16 2.56 0.00 0.00 0.00 173.10 178.61 3dqo s PRO 192 N -4.31 2.21 0.22 2.90 0.04 -1.26 -5.06 135.00 129.73 3dqo s PRO 192 Ca 0.69 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.36 3dqo s PRO 192 Cb -0.24 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3dqo s PRO 192 CO 0.50 -1.74 -0.05 0.14 0.04 0.00 0.00 177.00 175.89 3dqo s VAL 193 N -2.23 1.23 -0.28 -0.36 -7.23 -1.26 -4.77 120.40 105.50 3dqo s VAL 193 Ca 0.70 -2.07 -0.20 0.00 -1.81 0.00 0.00 61.98 58.60 3dqo s VAL 193 Cb -0.25 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 3dqo s VAL 193 CO 0.46 -0.44 0.62 -0.76 -0.31 0.00 0.00 175.10 174.68 3dqo s LEU 194 N -3.30 4.11 -0.23 1.32 1.43 -1.26 -5.03 118.68 115.71 3dqo s LEU 194 Ca 0.25 0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 53.76 3dqo s LEU 194 Cb 0.04 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 3dqo s LEU 194 CO 0.07 -0.43 0.29 -0.76 0.23 0.00 0.00 176.35 175.76 3dqo s LEU 195 N 2.55 4.11 0.31 1.79 1.43 -1.26 -3.74 118.68 123.87 3dqo s LEU 195 Ca 0.25 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 3dqo s LEU 195 Cb -0.15 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 3dqo s LEU 195 CO 0.10 -0.04 0.78 -2.16 0.23 0.00 0.00 176.35 175.27 3dqo s PRO 196 N 1.36 4.15 0.71 1.29 0.04 -1.26 -4.93 135.00 136.36 3dqo s PRO 196 Ca 0.13 0.84 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 3dqo s PRO 196 Cb -0.14 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.87 3dqo s PRO 196 CO 0.07 0.20 1.12 -0.25 0.04 0.00 0.00 177.00 178.18 3dqo n ASP 197 N -0.05 1.09 -4.63 6.66 8.00 -1.26 -3.95 116.55 122.41 3dqo n ASP 197 Ca 0.02 0.70 -0.50 0.00 0.71 0.00 0.00 54.79 55.73 3dqo n ASP 197 Cb 0.52 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.10 3dqo n ASP 197 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dqo n ASN 198 N -2.06 2.33 -2.96 -2.24 3.02 -1.26 -4.86 115.26 107.24 3dqo n ASN 198 Ca 0.14 1.09 -0.08 0.00 -0.03 0.00 0.00 54.58 55.71 3dqo n ASN 198 Cb 0.49 -1.28 0.03 0.00 -0.61 0.00 0.00 39.78 38.40 3dqo n ASN 198 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3dqo s HIS 199 N 1.08 0.13 0.19 3.10 -3.43 -1.00 -4.76 115.29 110.60 3dqo s HIS 199 Ca 0.84 -0.77 0.07 0.00 -0.80 0.00 0.00 55.06 54.40 3dqo s HIS 199 Cb -0.85 0.82 -0.05 0.00 -1.43 0.00 0.00 32.58 31.08 3dqo s HIS 199 CO 0.45 -1.45 -0.13 1.52 -2.00 0.00 0.00 174.74 173.13 3dqo s TYR 200 N -2.16 1.56 -0.10 0.38 -0.85 -0.59 -0.15 117.35 115.44 3dqo s TYR 200 Ca 0.17 -0.64 -0.02 0.00 -0.52 0.00 0.00 57.07 56.07 3dqo s TYR 200 Cb -0.05 -0.75 -0.03 0.00 0.38 0.00 0.00 41.96 41.52 3dqo s TYR 200 CO 0.10 0.26 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.86 3dqo s LEU 201 N -3.27 3.38 -0.28 -3.49 1.43 0.14 -0.69 118.68 115.91 3dqo s LEU 201 Ca 0.21 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 3dqo s LEU 201 Cb 0.00 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3dqo s LEU 201 CO 0.05 0.32 0.13 -0.44 0.23 0.00 0.00 176.35 176.63 3dqo s SER 202 N -0.52 5.47 -0.15 2.29 0.01 0.56 -0.86 113.70 120.50 3dqo s SER 202 Ca 0.08 -0.28 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 3dqo s SER 202 Cb -0.12 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 3dqo s SER 202 CO 0.02 -0.10 0.07 -0.31 0.41 0.00 0.00 173.24 173.33 3dqo s TYR 203 N 1.65 3.32 -0.07 2.43 1.51 0.04 -1.49 117.35 124.74 3dqo s TYR 203 Ca 0.06 0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 3dqo s TYR 203 Cb -0.16 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 3dqo s TYR 203 CO 0.06 0.37 -0.21 -0.65 -1.11 0.00 0.00 175.55 174.02 3dqo s GLN 204 N -0.25 2.71 -0.02 -0.62 1.11 -0.14 -2.29 119.66 120.16 3dqo s GLN 204 Ca 0.08 -0.82 0.01 0.00 0.01 0.00 0.00 55.36 54.64 3dqo s GLN 204 Cb -0.12 -2.29 0.01 0.00 -1.01 0.00 0.00 33.01 29.59 3dqo s GLN 204 CO 0.01 0.39 -0.04 -1.12 0.01 0.00 0.00 175.29 174.54 3dqo s SER 205 N -0.17 0.66 -0.07 5.90 0.01 -1.26 -0.98 113.70 117.80 3dqo s SER 205 Ca -0.02 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.16 3dqo s SER 205 Cb -0.14 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.93 3dqo s SER 205 CO 0.04 0.01 -0.09 0.00 0.41 0.00 0.00 173.24 173.61 3dqo s ALA 206 N 0.27 1.10 -0.14 1.44 0.00 0.15 -4.58 121.76 120.00 3dqo s ALA 206 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 3dqo s ALA 206 Cb -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3dqo s ALA 206 CO -0.00 -0.00 0.00 -0.51 0.00 0.00 0.00 175.76 175.25 3dqo s LEU 207 N 0.89 3.53 0.00 0.00 1.43 -1.26 -1.05 118.68 122.22 3dqo s LEU 207 Ca -0.11 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3dqo s LEU 207 Cb -0.15 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3dqo s LEU 207 CO 0.01 0.25 0.24 -1.54 0.23 0.00 0.00 176.35 175.54 3dqo n SER 208 N 3.03 -0.65 -4.16 2.29 3.41 0.44 -4.95 113.62 113.03 3dqo n SER 208 Ca -0.18 -2.25 -0.21 0.00 -0.26 0.00 0.00 58.87 55.97 3dqo n SER 208 Cb 0.53 1.32 -0.13 0.00 -0.26 0.00 0.00 64.21 65.66 3dqo n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dqo s LYS 209 N -2.65 0.99 -0.46 4.33 -0.14 -1.26 -1.49 119.74 119.07 3dqo s LYS 209 Ca 0.21 -0.80 -0.28 0.00 -1.36 0.00 0.00 55.97 53.75 3dqo s LYS 209 Cb 0.00 -1.02 0.03 0.00 -1.68 0.00 0.00 37.83 35.16 3dqo s LYS 209 CO 0.15 0.25 1.05 0.34 -0.76 0.00 0.00 175.35 176.38 3dqo s ASP 210 N -1.18 6.61 0.43 2.83 -1.08 -1.26 -4.93 116.67 118.09 3dqo s ASP 210 Ca 0.02 0.39 0.30 0.00 -0.52 0.00 0.00 52.55 52.75 3dqo s ASP 210 Cb -0.08 -2.51 1.46 0.00 -1.46 0.00 0.00 42.92 40.33 3dqo s ASP 210 CO 0.01 -1.14 1.90 1.55 0.52 0.00 0.00 175.17 178.02 3dqo h PRO 211 N 9.06 0.00 -0.22 4.34 0.13 -2.04 -1.17 132.00 142.11 3dqo h PRO 211 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3dqo h PRO 211 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3dqo h PRO 211 CO 1.08 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.94 3dqo n ASN 212 N -2.60 2.20 -4.46 1.44 3.02 -1.26 -4.88 115.26 108.71 3dqo n ASN 212 Ca -0.01 -1.79 -0.37 0.00 -0.03 0.00 0.00 54.58 52.38 3dqo n ASN 212 Cb 0.14 -0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 3dqo n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqo s GLU 213 N -1.73 3.65 0.16 3.52 2.56 -0.44 -4.96 118.70 121.46 3dqo s GLU 213 Ca 0.34 -0.49 0.23 0.00 0.00 0.00 0.00 54.97 55.05 3dqo s GLU 213 Cb 0.19 -3.38 0.17 0.00 2.00 0.00 0.00 34.13 33.11 3dqo s GLU 213 CO 0.28 -0.21 1.18 0.87 -0.56 0.00 0.00 175.26 176.82 3dqo h LYS 214 N 8.26 0.00 -7.44 4.30 1.79 -1.90 -3.47 116.57 118.11 3dqo h LYS 214 Ca -0.37 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.62 3dqo h LYS 214 Cb 1.17 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.94 3dqo h LYS 214 CO 0.58 0.00 0.33 1.03 -1.08 0.00 0.00 179.45 180.30 3dqo s ARG 215 N -3.26 1.77 -0.07 3.15 0.52 -1.26 -4.99 118.95 114.81 3dqo s ARG 215 Ca 0.03 0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.45 3dqo s ARG 215 Cb 0.11 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 3dqo s ARG 215 CO 0.76 -1.81 1.06 0.34 0.02 0.00 0.00 175.30 175.67 3dqo s ASP 216 N -3.97 7.20 0.26 0.23 2.15 -1.26 -4.97 116.67 116.32 3dqo s ASP 216 Ca 0.62 1.64 -0.19 0.00 0.43 0.00 0.00 52.55 55.05 3dqo s ASP 216 Cb -0.14 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 3dqo s ASP 216 CO 0.54 -0.46 0.66 -1.38 -0.17 0.00 0.00 175.17 174.36 3dqo s HIS 217 N 1.89 -0.10 -0.07 -5.34 -3.43 -1.26 -0.60 115.29 106.38 3dqo s HIS 217 Ca 0.51 -0.32 -0.03 0.00 -0.80 0.00 0.00 55.06 54.42 3dqo s HIS 217 Cb -0.21 0.59 0.04 0.00 -1.43 0.00 0.00 32.58 31.57 3dqo s HIS 217 CO 0.21 -1.16 0.14 1.41 -2.00 0.00 0.00 174.74 173.34 3dqo s MET 218 N -3.93 0.07 -0.18 -0.38 1.75 0.23 -4.97 119.30 111.89 3dqo s MET 218 Ca 0.13 0.40 -0.17 0.00 -1.25 0.00 0.00 55.69 54.79 3dqo s MET 218 Cb -0.05 -0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.38 3dqo s MET 218 CO 0.06 -0.20 0.45 0.08 -0.65 0.00 0.00 175.02 174.77 3dqo s VAL 219 N 1.40 5.17 -0.13 10.11 1.01 -0.55 -0.31 120.40 137.09 3dqo s VAL 219 Ca -0.07 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3dqo s VAL 219 Cb -0.12 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3dqo s VAL 219 CO -0.06 0.25 -0.16 -0.22 0.00 0.00 0.00 175.10 174.92 3dqo s LEU 220 N 1.22 1.75 -0.18 3.92 2.96 0.40 -0.42 118.68 128.33 3dqo s LEU 220 Ca 0.22 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3dqo s LEU 220 Cb -0.15 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3dqo s LEU 220 CO 0.09 -0.01 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.78 3dqo s LEU 221 N 1.22 2.71 0.02 -0.68 2.96 -0.21 -1.26 118.68 123.43 3dqo s LEU 221 Ca -0.01 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3dqo s LEU 221 Cb -0.14 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3dqo s LEU 221 CO -0.06 0.06 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.30 3dqo s GLU 222 N 0.99 0.85 -0.04 1.98 2.02 -0.64 -0.67 118.70 123.19 3dqo s GLU 222 Ca -0.01 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.44 3dqo s GLU 222 Cb -0.15 -0.83 -0.01 0.00 0.10 0.00 0.00 34.13 33.25 3dqo s GLU 222 CO -0.01 0.21 -0.20 -0.06 0.02 0.00 0.00 175.26 175.22 3dqo s PHE 223 N -0.63 1.90 -0.04 1.61 0.08 -0.15 -1.09 117.98 119.67 3dqo s PHE 223 Ca 0.02 -0.51 -0.02 0.00 0.12 0.00 0.00 56.93 56.54 3dqo s PHE 223 Cb -0.06 -1.26 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3dqo s PHE 223 CO 0.00 -0.15 0.05 0.08 -0.10 0.00 0.00 175.22 175.11 3dqo s VAL 224 N -0.12 -0.08 -0.05 -0.44 1.01 -0.17 -0.96 120.40 119.58 3dqo s VAL 224 Ca -0.01 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.37 3dqo s VAL 224 Cb -0.11 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.12 3dqo s VAL 224 CO 0.02 0.18 -0.06 -0.89 0.00 0.00 0.00 175.10 174.34 3dqo s THR 225 N 2.06 0.69 0.49 3.92 2.01 -0.55 -0.66 115.64 123.59 3dqo s THR 225 Ca 0.04 -0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.64 3dqo s THR 225 Cb -0.12 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 3dqo s THR 225 CO -0.03 0.26 1.06 0.00 -0.69 0.00 0.00 174.62 175.23 3dqo s ALA 226 N 0.98 2.87 0.34 7.40 0.00 0.53 -0.32 121.76 133.55 3dqo s ALA 226 Ca -0.10 0.68 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 3dqo s ALA 226 Cb -0.14 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.73 3dqo s ALA 226 CO 0.00 -0.41 0.75 0.00 0.00 0.00 0.00 175.76 176.11 3dqo s ALA 227 N -1.88 -0.91 0.00 0.00 0.00 0.13 -4.45 121.76 114.65 3dqo s ALA 227 Ca 0.67 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3dqo s ALA 227 Cb -0.19 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.69 3dqo s ALA 227 CO 0.23 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3dqo n GLY 228 N -0.50 0.66 3.15 0.00 0.00 -1.26 -1.54 105.19 105.70 3dqo n GLY 228 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3dqo n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqo s ILE 229 N -2.00 3.08 -2.01 -0.61 1.01 -1.26 -4.86 121.20 114.56 3dqo s ILE 229 Ca 0.00 -1.63 0.32 0.00 0.00 0.00 0.00 60.65 59.34 3dqo s ILE 229 Cb 0.00 -2.90 0.90 0.00 0.01 0.00 0.00 42.46 40.47 3dqo s ILE 229 CO 0.00 -0.31 2.22 0.35 0.00 0.00 0.00 174.94 177.20