#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qe5 s PRO 10 N 0.00 4.29 0.57 0.52 0.04 -1.26 -4.85 135.00 134.30 1qe5 s PRO 10 Ca 0.00 2.15 0.26 0.00 0.04 0.00 0.00 61.00 63.44 1qe5 s PRO 10 Cb 0.00 -3.27 1.57 0.00 0.04 0.00 0.00 34.50 32.85 1qe5 s PRO 10 CO 0.00 -0.50 2.13 -0.07 0.04 0.00 0.00 177.00 178.60 1qe5 h LEU 11 N 6.99 0.00 -1.48 -3.56 3.38 -1.96 -1.16 115.31 117.51 1qe5 h LEU 11 Ca -0.42 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.59 1qe5 h LEU 11 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1qe5 h LEU 11 CO 0.88 0.00 0.40 -0.78 0.09 0.00 0.00 178.44 179.03 1qe5 h ASP 12 N 0.00 0.57 -3.23 -0.43 3.58 -1.93 -3.42 116.42 111.55 1qe5 h ASP 12 Ca 0.08 -0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.97 1qe5 h ASP 12 Cb 0.37 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1qe5 h ASP 12 CO -0.00 0.39 0.56 -0.62 -2.88 0.00 0.00 179.24 176.69 1qe5 s ASP 13 N -6.38 7.19 0.52 2.28 -1.08 -0.44 -4.91 116.67 113.86 1qe5 s ASP 13 Ca -0.09 1.71 0.21 0.00 -0.52 0.00 0.00 52.55 53.86 1qe5 s ASP 13 Cb 0.19 -2.56 1.34 0.00 -1.46 0.00 0.00 42.92 40.42 1qe5 s ASP 13 CO 0.76 -0.45 2.07 -0.65 0.52 0.00 0.00 175.17 177.41 1qe5 h PRO 14 N 7.10 0.00 -0.74 4.34 0.11 -1.87 -0.79 132.00 140.15 1qe5 h PRO 14 Ca -0.36 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1qe5 h PRO 14 Cb 1.18 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1qe5 h PRO 14 CO 0.83 0.00 0.21 0.00 -0.21 0.00 0.00 178.00 178.84 1qe5 h ALA 15 N 1.85 0.97 -2.61 -0.75 0.00 -1.93 -3.44 119.26 113.36 1qe5 h ALA 15 Ca 0.14 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 1qe5 h ALA 15 Cb 0.55 -0.28 0.13 0.00 0.00 0.00 0.00 17.79 18.19 1qe5 h ALA 15 CO -0.00 0.67 0.36 2.41 0.00 0.00 0.00 179.25 182.69 1qe5 n THR 16 N -4.24 2.61 -3.10 0.00 -1.04 -0.31 -4.95 114.28 103.25 1qe5 n THR 16 Ca 0.06 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.14 1qe5 n THR 16 Cb 0.24 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 1qe5 n THR 16 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1qe5 s ASP 17 N -0.65 6.29 0.35 8.00 -1.08 -1.26 -4.97 116.67 123.35 1qe5 s ASP 17 Ca 0.63 -0.51 0.13 0.00 -0.52 0.00 0.00 52.55 52.27 1qe5 s ASP 17 Cb -0.52 -2.32 0.97 0.00 -1.46 0.00 0.00 42.92 39.59 1qe5 s ASP 17 CO 0.57 -0.86 1.73 1.55 0.52 0.00 0.00 175.17 178.68 1qe5 h PRO 18 N 8.96 0.49 0.00 4.34 0.13 -1.93 -0.79 132.00 143.19 1qe5 h PRO 18 Ca -0.26 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1qe5 h PRO 18 Cb 1.09 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1qe5 h PRO 18 CO 0.93 0.32 -0.07 0.74 -0.23 0.00 0.00 178.00 179.69 1qe5 h PHE 19 N 0.50 0.00 0.05 1.56 -1.00 -1.99 -1.81 116.94 114.25 1qe5 h PHE 19 Ca 0.64 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 61.19 1qe5 h PHE 19 Cb 1.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.91 1qe5 h PHE 19 CO -0.01 0.07 -1.11 1.25 -1.61 0.00 0.00 178.31 176.91 1qe5 h LEU 20 N 0.00 0.16 -0.25 1.54 7.12 -1.57 -1.26 115.31 121.05 1qe5 h LEU 20 Ca -0.00 -0.17 -0.21 0.00 0.13 0.00 0.00 57.88 57.63 1qe5 h LEU 20 Cb 0.39 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1qe5 h LEU 20 CO 0.01 1.13 -0.70 0.58 -0.13 0.00 0.00 178.44 179.34 1qe5 h VAL 21 N 0.03 1.29 -0.75 1.05 2.07 -1.27 -2.31 116.25 116.36 1qe5 h VAL 21 Ca -0.06 -1.91 0.04 0.00 0.82 0.00 0.00 66.70 65.59 1qe5 h VAL 21 Cb 1.85 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 33.45 1qe5 h VAL 21 CO 0.16 0.61 0.46 0.00 0.02 0.00 0.00 177.57 178.81 1qe5 h ALA 22 N 0.66 0.99 -0.45 1.67 0.00 -1.21 0.12 119.26 121.05 1qe5 h ALA 22 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qe5 h ALA 22 Cb 1.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1qe5 h ALA 22 CO 0.14 0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.88 1qe5 h ARG 23 N 0.88 0.51 -0.49 0.00 2.47 -1.11 -0.56 114.38 116.08 1qe5 h ARG 23 Ca 0.31 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.97 1qe5 h ARG 23 Cb 0.08 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1qe5 h ARG 23 CO -0.13 0.34 0.21 0.00 0.56 0.00 0.00 179.97 180.94 1qe5 h ALA 24 N 1.20 0.64 -0.08 0.04 0.00 -0.81 0.40 119.26 120.65 1qe5 h ALA 24 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1qe5 h ALA 24 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1qe5 h ALA 24 CO -0.09 0.23 -0.17 0.00 0.00 0.00 0.00 179.25 179.23 1qe5 h ALA 25 N 1.05 -0.14 -0.68 0.00 0.00 -0.36 -0.01 119.26 119.13 1qe5 h ALA 25 Ca 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qe5 h ALA 25 Cb 0.18 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1qe5 h ALA 25 CO -0.02 -0.64 0.41 0.00 0.00 0.00 0.00 179.25 179.00 1qe5 h ALA 26 N 0.75 0.86 -0.53 0.00 0.00 -0.75 -0.29 119.26 119.31 1qe5 h ALA 26 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1qe5 h ALA 26 Cb 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1qe5 h ALA 26 CO -0.22 0.34 0.15 -0.44 0.00 0.00 0.00 179.25 179.08 1qe5 h ASP 27 N 0.92 0.78 -0.29 0.00 3.32 -0.69 -1.09 116.42 119.37 1qe5 h ASP 27 Ca 0.24 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1qe5 h ASP 27 Cb -0.03 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1qe5 h ASP 27 CO -0.05 0.79 0.05 -0.74 -1.72 0.00 0.00 179.24 177.58 1qe5 h HIS 28 N 0.73 0.09 0.05 4.55 2.76 -0.51 -2.09 115.15 120.73 1qe5 h HIS 28 Ca 0.17 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1qe5 h HIS 28 Cb 0.30 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1qe5 h HIS 28 CO 0.02 0.02 -0.04 0.82 -1.30 0.00 0.00 177.93 177.44 1qe5 h ILE 29 N 0.16 0.90 -0.49 6.26 2.04 -0.82 0.11 117.51 125.68 1qe5 h ILE 29 Ca 0.14 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 1qe5 h ILE 29 Cb 0.14 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1qe5 h ILE 29 CO -0.18 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.31 1qe5 h ALA 30 N 0.85 2.39 0.00 1.87 0.00 -1.02 -0.36 119.26 122.99 1qe5 h ALA 30 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1qe5 h ALA 30 Cb 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qe5 h ALA 30 CO -0.01 -0.52 -0.19 0.37 0.00 0.00 0.00 179.25 178.89 1qe5 h GLN 31 N 0.05 0.00 0.00 0.00 4.15 -0.85 -1.78 115.11 116.68 1qe5 h GLN 31 Ca 0.23 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1qe5 h GLN 31 Cb 0.85 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 1qe5 h GLN 31 CO -0.01 0.57 -0.01 0.00 -1.93 0.00 0.00 178.83 177.44 1qe5 h ALA 32 N -0.49 1.30 0.00 3.38 0.00 -0.45 -2.85 119.26 120.16 1qe5 h ALA 32 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qe5 h ALA 32 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qe5 h ALA 32 CO -0.03 0.01 -1.31 0.25 0.00 0.00 0.00 179.25 178.18 1qe5 n THR 33 N -3.53 0.00 -0.98 0.00 -2.24 -0.18 -4.96 114.28 102.39 1qe5 n THR 33 Ca -0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1qe5 n THR 33 Cb 0.09 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1qe5 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qe5 n GLY 34 N 1.61 0.73 3.53 3.38 0.00 -0.68 -4.86 105.19 108.91 1qe5 n GLY 34 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1qe5 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qe5 s VAL 35 N -3.01 5.23 0.20 1.61 1.01 -1.16 -4.97 120.40 119.32 1qe5 s VAL 35 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 1qe5 s VAL 35 Cb 0.00 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.72 1qe5 s VAL 35 CO 0.00 -0.06 1.83 -0.33 0.00 0.00 0.00 175.10 176.54 1qe5 h GLU 36 N 8.49 0.73 -3.52 2.72 5.08 -1.94 -3.37 114.58 122.76 1qe5 h GLU 36 Ca -0.30 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.88 1qe5 h GLU 36 Cb 1.15 -0.16 -0.20 0.00 0.50 0.00 0.00 28.75 30.04 1qe5 h GLU 36 CO 0.66 0.48 -0.46 0.20 -1.00 0.00 0.00 179.01 178.89 1qe5 s GLY 37 N -2.88 0.05 0.20 -3.84 0.00 -1.26 -4.84 107.32 94.75 1qe5 s GLY 37 Ca -0.13 -0.18 0.06 0.00 0.00 0.00 0.00 44.72 44.47 1qe5 s GLY 37 CO 0.76 -0.33 0.12 0.30 0.00 0.00 0.00 173.10 173.95 1qe5 s HIS 38 N -1.73 3.05 -0.08 1.90 3.76 -0.70 -4.81 115.29 116.67 1qe5 s HIS 38 Ca -0.12 -0.09 0.17 0.00 -0.15 0.00 0.00 55.06 54.87 1qe5 s HIS 38 Cb -0.06 -1.43 -0.25 0.00 1.11 0.00 0.00 32.58 31.96 1qe5 s HIS 38 CO 0.00 0.53 0.26 -0.25 -0.85 0.00 0.00 174.74 174.43 1qe5 n ASP 39 N -0.63 0.87 -3.78 1.40 8.00 0.06 -1.63 116.55 120.83 1qe5 n ASP 39 Ca -0.08 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 1qe5 n ASP 39 Cb 0.56 1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 43.07 1qe5 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qe5 s MET 40 N -2.92 1.06 0.02 -1.24 0.23 -1.13 -1.58 119.30 113.73 1qe5 s MET 40 Ca -0.07 -0.90 0.01 0.00 -1.03 0.00 0.00 55.69 53.69 1qe5 s MET 40 Cb 0.09 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.79 1qe5 s MET 40 CO 0.73 -0.39 -0.04 0.00 -2.03 0.00 0.00 175.02 173.28 1qe5 s ALA 41 N -3.86 0.24 -0.01 3.16 0.00 -0.18 -1.04 121.76 120.08 1qe5 s ALA 41 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1qe5 s ALA 41 Cb 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1qe5 s ALA 41 CO -0.08 -0.08 -0.07 -0.51 0.00 0.00 0.00 175.76 175.02 1qe5 s LEU 42 N -1.14 1.99 -0.17 0.00 1.02 -0.20 -1.14 118.68 119.05 1qe5 s LEU 42 Ca -0.10 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 53.91 1qe5 s LEU 42 Cb -0.08 -0.39 0.00 0.00 0.02 0.00 0.00 46.19 45.74 1qe5 s LEU 42 CO -0.00 0.09 -0.15 -0.69 0.02 0.00 0.00 176.35 175.61 1qe5 s VAL 43 N -0.14 2.59 -0.29 -1.59 1.01 -0.75 -1.19 120.40 120.04 1qe5 s VAL 43 Ca 0.02 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1qe5 s VAL 43 Cb -0.03 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1qe5 s VAL 43 CO -0.00 0.51 0.18 -0.76 0.00 0.00 0.00 175.10 175.03 1qe5 s LEU 44 N 0.99 4.03 0.00 3.92 1.43 -1.26 -2.28 118.68 125.51 1qe5 s LEU 44 Ca -0.02 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1qe5 s LEU 44 Cb -0.15 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1qe5 s LEU 44 CO -0.03 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1qe5 n GLY 45 N 5.05 1.06 3.68 -3.19 0.00 -1.14 -4.79 105.19 105.86 1qe5 n GLY 45 Ca -0.14 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1qe5 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qe5 s SER 46 N -1.00 6.78 0.00 1.61 0.01 -1.26 -1.83 113.70 118.01 1qe5 s SER 46 Ca 0.00 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1qe5 s SER 46 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1qe5 s SER 46 CO 0.00 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1qe5 n GLY 47 N 3.81 0.57 0.57 3.44 0.00 -1.26 -2.99 105.19 109.33 1qe5 n GLY 47 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1qe5 n GLY 47 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qe5 n TRP 48 N -2.00 0.16 -0.35 1.61 7.02 -0.76 -4.71 117.44 118.41 1qe5 n TRP 48 Ca 0.00 -0.15 0.35 0.00 -1.02 0.00 0.00 57.50 56.68 1qe5 n TRP 48 Cb 0.00 -0.01 0.73 0.00 -2.42 0.00 0.00 31.31 29.61 1qe5 n TRP 48 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1qe5 h GLY 49 N 2.41 0.17 -1.62 6.99 0.00 -1.87 -1.01 103.07 108.14 1qe5 h GLY 49 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1qe5 h GLY 49 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1qe5 n GLY 50 N -1.74 3.02 0.23 4.60 0.00 -1.26 -4.58 105.19 105.46 1qe5 n GLY 50 Ca 0.27 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.84 1qe5 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe5 n ALA 51 N 0.43 2.65 0.08 4.61 0.00 -0.38 -3.13 120.51 124.77 1qe5 n ALA 51 Ca 0.16 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1qe5 n ALA 51 Cb 0.59 -1.34 0.22 0.00 0.00 0.00 0.00 19.45 18.92 1qe5 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qe5 n ALA 52 N -0.47 2.38 0.31 0.00 0.00 -1.26 -4.31 120.51 117.16 1qe5 n ALA 52 Ca 0.20 -1.07 0.16 0.00 0.00 0.00 0.00 53.44 52.74 1qe5 n ALA 52 Cb 0.24 -0.79 0.68 0.00 0.00 0.00 0.00 19.45 19.58 1qe5 n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qe5 h GLU 53 N 3.95 0.00 -0.58 0.00 4.39 -1.89 -2.65 114.58 117.80 1qe5 h GLU 53 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qe5 h GLU 53 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1qe5 h GLU 53 CO 0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 1qe5 n LEU 54 N -2.80 3.88 -0.02 1.33 4.77 -1.26 -4.62 117.00 118.27 1qe5 n LEU 54 Ca 0.01 -2.18 -0.10 0.00 -0.03 0.00 0.00 56.01 53.71 1qe5 n LEU 54 Cb 0.25 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1qe5 n LEU 54 CO 0.23 0.85 0.52 0.25 -1.33 0.00 0.00 177.39 177.92 1qe5 h LEU 55 N 3.46 0.69 0.00 2.23 5.85 -1.78 -3.44 115.31 122.32 1qe5 h LEU 55 Ca 0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1qe5 h LEU 55 Cb 1.06 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1qe5 h LEU 55 CO 0.07 1.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.84 1qe5 n GLY 56 N 0.16 -0.67 3.71 3.75 0.00 -1.26 -4.62 105.19 106.26 1qe5 n GLY 56 Ca -0.03 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1qe5 n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qe5 s GLU 57 N -2.00 4.46 -0.45 1.61 2.12 -1.08 -4.78 118.70 118.57 1qe5 s GLU 57 Ca 0.00 1.12 -0.28 0.00 0.36 0.00 0.00 54.97 56.17 1qe5 s GLU 57 Cb 0.00 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1qe5 s GLU 57 CO 0.00 -0.06 1.78 0.08 -0.54 0.00 0.00 175.26 176.52 1qe5 s VAL 58 N 1.15 3.48 0.18 3.70 1.01 -1.26 -0.82 120.40 127.84 1qe5 s VAL 58 Ca 0.43 0.42 0.09 0.00 0.00 0.00 0.00 61.98 62.93 1qe5 s VAL 58 Cb -0.19 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 1qe5 s VAL 58 CO 0.21 -0.65 1.44 0.58 0.00 0.00 0.00 175.10 176.68 1qe5 h VAL 59 N 6.80 1.56 -1.74 2.92 2.07 -0.82 -3.48 116.25 123.55 1qe5 h VAL 59 Ca -0.30 -2.77 0.10 0.00 0.82 0.00 0.00 66.70 64.55 1qe5 h VAL 59 Cb 1.16 2.50 -0.21 0.00 -1.52 0.00 0.00 31.29 33.23 1qe5 h VAL 59 CO 1.11 0.79 0.55 0.00 0.02 0.00 0.00 177.57 180.04 1qe5 s ALA 60 N -3.14 -1.91 -0.07 1.67 0.00 -1.12 -4.98 121.76 112.21 1qe5 s ALA 60 Ca 0.00 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1qe5 s ALA 60 Cb 0.11 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1qe5 s ALA 60 CO 0.79 -0.43 -0.16 -1.21 0.00 0.00 0.00 175.76 174.75 1qe5 s GLU 61 N -1.72 2.03 -0.16 0.00 2.02 -1.26 -0.82 118.70 118.78 1qe5 s GLU 61 Ca 0.01 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1qe5 s GLU 61 Cb -0.01 -1.65 0.02 0.00 0.10 0.00 0.00 34.13 32.59 1qe5 s GLU 61 CO -0.02 0.13 -0.18 0.08 0.02 0.00 0.00 175.26 175.29 1qe5 s VAL 62 N 0.39 1.85 0.11 2.63 1.01 0.23 -4.91 120.40 121.72 1qe5 s VAL 62 Ca -0.12 -0.82 -0.33 0.00 0.00 0.00 0.00 61.98 60.70 1qe5 s VAL 62 Cb -0.15 -1.68 -0.12 0.00 0.00 0.00 0.00 36.38 34.42 1qe5 s VAL 62 CO 0.04 0.51 1.72 -0.81 0.00 0.00 0.00 175.10 176.56 1qe5 n PRO 63 N 4.52 2.39 -0.37 2.72 -0.04 -1.26 0.13 135.00 143.08 1qe5 n PRO 63 Ca -0.19 0.87 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1qe5 n PRO 63 Cb 0.50 -2.69 0.11 0.00 -0.04 0.00 0.00 33.50 31.38 1qe5 n PRO 63 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qe5 h THR 64 N 4.26 1.26 0.00 0.52 2.02 -1.32 -2.09 112.91 117.56 1qe5 h THR 64 Ca -0.46 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1qe5 h THR 64 Cb 1.24 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1qe5 h THR 64 CO 0.92 0.25 0.00 0.00 0.37 0.00 0.00 175.52 177.06 1qe5 n HIS 65 N -4.38 0.00 0.96 3.16 1.44 -1.26 -1.37 115.22 113.77 1qe5 n HIS 65 Ca 0.12 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.94 1qe5 n HIS 65 Cb 0.02 -0.45 0.07 0.00 0.12 0.00 0.00 29.99 29.75 1qe5 n HIS 65 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1qe5 n GLU 66 N -1.45 0.03 -3.18 -1.40 1.02 -0.78 -4.80 120.64 110.08 1qe5 n GLU 66 Ca 0.01 -0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 1qe5 n GLU 66 Cb 0.04 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 1qe5 n GLU 66 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qe5 s ILE 67 N -3.02 4.95 -0.11 -3.67 1.01 -0.47 -4.99 121.20 114.90 1qe5 s ILE 67 Ca 0.09 1.27 -0.41 0.00 0.00 0.00 0.00 60.65 61.60 1qe5 s ILE 67 Cb 0.17 -3.95 -0.19 0.00 0.01 0.00 0.00 42.46 38.50 1qe5 s ILE 67 CO 0.78 0.38 1.29 -2.65 0.00 0.00 0.00 174.94 174.74 1qe5 n PRO 68 N 2.99 0.34 0.00 2.79 -0.02 -1.26 -2.10 135.00 137.74 1qe5 n PRO 68 Ca -0.06 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1qe5 n PRO 68 Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1qe5 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qe5 n GLY 69 N 2.46 3.00 3.80 -1.23 0.00 -1.26 -4.49 105.19 107.46 1qe5 n GLY 69 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1qe5 n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qe5 n PHE 70 N -0.82 -3.51 0.00 1.61 3.01 -0.89 -4.92 117.46 111.94 1qe5 n PHE 70 Ca 0.00 -1.42 0.00 0.00 1.01 0.00 0.00 57.45 57.04 1qe5 n PHE 70 Cb 0.00 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 1qe5 n PHE 70 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1qe5 n SER 71 N -3.41 0.00 -0.50 4.37 3.41 -1.26 -4.89 113.62 111.35 1qe5 n SER 71 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1qe5 n SER 71 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1qe5 n SER 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qe5 n SER 80 N 0.00 0.00 -4.05 4.04 3.41 -1.26 -4.96 113.62 110.80 1qe5 n SER 80 Ca 0.00 -1.80 -0.17 0.00 -0.26 0.00 0.00 58.87 56.64 1qe5 n SER 80 Cb 0.00 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 63.66 1qe5 n SER 80 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qe5 s VAL 81 N 0.00 0.70 -0.09 -3.33 0.11 -1.26 -0.88 120.40 115.64 1qe5 s VAL 81 Ca 0.00 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1qe5 s VAL 81 Cb 0.00 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1qe5 s VAL 81 CO 0.00 -0.03 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.79 1qe5 s THR 82 N -0.67 3.76 -0.01 5.04 2.01 0.12 -3.78 115.64 122.11 1qe5 s THR 82 Ca -0.01 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.62 1qe5 s THR 82 Cb -0.06 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1qe5 s THR 82 CO 0.00 0.57 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.16 1qe5 s ARG 83 N -0.47 1.71 -0.27 4.92 0.52 -0.51 0.76 118.95 125.61 1qe5 s ARG 83 Ca 0.07 -0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 1qe5 s ARG 83 Cb -0.12 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 1qe5 s ARG 83 CO 0.02 0.46 0.15 0.45 0.02 0.00 0.00 175.30 176.39 1qe5 s SER 84 N -0.62 5.67 0.01 0.23 0.15 -0.00 -0.11 113.70 119.03 1qe5 s SER 84 Ca 0.08 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.67 1qe5 s SER 84 Cb -0.08 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1qe5 s SER 84 CO -0.00 -0.06 -0.19 -0.63 1.20 0.00 0.00 173.24 173.56 1qe5 s ILE 85 N 1.70 2.71 -0.23 6.45 1.01 0.38 -0.06 121.20 133.17 1qe5 s ILE 85 Ca 0.07 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 1qe5 s ILE 85 Cb -0.16 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1qe5 s ILE 85 CO 0.08 0.43 0.38 -0.60 0.00 0.00 0.00 174.94 175.23 1qe5 s ARG 86 N -1.15 4.11 -0.28 2.79 3.52 -0.00 -0.15 118.95 127.78 1qe5 s ARG 86 Ca 0.13 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.77 1qe5 s ARG 86 Cb -0.10 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 1qe5 s ARG 86 CO 0.03 -0.12 0.09 0.08 -0.81 0.00 0.00 175.30 174.57 1qe5 s VAL 87 N 1.58 4.24 -0.17 7.11 1.01 0.80 -2.64 120.40 132.33 1qe5 s VAL 87 Ca 0.17 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 1qe5 s VAL 87 Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1qe5 s VAL 87 CO 0.08 0.18 0.76 -1.61 0.00 0.00 0.00 175.10 174.51 1qe5 s GLU 88 N 1.57 4.28 0.43 2.72 0.41 -1.26 -1.46 118.70 125.39 1qe5 s GLU 88 Ca 0.05 0.89 0.03 0.00 -0.41 0.00 0.00 54.97 55.52 1qe5 s GLU 88 Cb -0.16 -3.56 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 1qe5 s GLU 88 CO 0.04 -0.27 0.63 1.03 -0.49 0.00 0.00 175.26 176.19 1qe5 s ARG 89 N 1.97 2.97 0.27 1.61 0.52 0.98 -4.93 118.95 122.34 1qe5 s ARG 89 Ca 0.35 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1qe5 s ARG 89 Cb -0.16 -2.63 0.60 0.00 0.52 0.00 0.00 34.95 33.27 1qe5 s ARG 89 CO 0.12 -0.26 1.72 0.00 0.02 0.00 0.00 175.30 176.91 1qe5 h ALA 90 N 0.49 1.28 -0.15 2.13 0.00 -1.86 -0.67 119.26 120.49 1qe5 h ALA 90 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1qe5 h ALA 90 Cb 1.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1qe5 h ALA 90 CO 0.54 -0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 1qe5 n ASP 91 N -5.00 2.13 0.00 0.00 5.68 -1.26 -4.87 116.55 113.24 1qe5 n ASP 91 Ca 0.19 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1qe5 n ASP 91 Cb 0.53 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1qe5 n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qe5 n GLY 92 N 0.19 2.72 3.89 6.12 0.00 -0.26 -5.02 105.19 112.83 1qe5 n GLY 92 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1qe5 n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qe5 s SER 93 N -3.33 5.40 0.30 1.61 1.04 -1.26 -4.75 113.70 112.72 1qe5 s SER 93 Ca 0.00 1.08 0.08 0.00 0.48 0.00 0.00 55.95 57.59 1qe5 s SER 93 Cb 0.00 -1.87 -0.06 0.00 0.10 0.00 0.00 66.02 64.19 1qe5 s SER 93 CO 0.00 -1.35 -0.09 0.68 0.98 0.00 0.00 173.24 173.46 1qe5 s VAL 94 N -3.35 1.96 0.06 5.02 -7.23 -1.26 -0.01 120.40 115.58 1qe5 s VAL 94 Ca 0.58 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1qe5 s VAL 94 Cb -0.11 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1qe5 s VAL 94 CO 0.51 -0.28 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.85 1qe5 s ARG 95 N -3.66 0.62 -0.14 4.82 1.81 -0.54 -4.97 118.95 116.89 1qe5 s ARG 95 Ca 0.30 -1.13 0.02 0.00 -1.72 0.00 0.00 55.73 53.20 1qe5 s ARG 95 Cb 0.02 0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 1qe5 s ARG 95 CO 0.14 -0.07 -0.19 -1.01 -0.68 0.00 0.00 175.30 173.49 1qe5 s HIS 96 N -3.34 2.71 -0.12 -0.53 3.76 -1.26 -0.14 115.29 116.37 1qe5 s HIS 96 Ca 0.04 -1.10 -0.03 0.00 -0.15 0.00 0.00 55.06 53.82 1qe5 s HIS 96 Cb 0.04 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1qe5 s HIS 96 CO -0.07 -0.48 0.00 0.00 -0.85 0.00 0.00 174.74 173.34 1qe5 s ALA 97 N 0.69 3.22 -0.32 -1.40 0.00 0.78 -0.76 121.76 123.96 1qe5 s ALA 97 Ca -0.09 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 1qe5 s ALA 97 Cb -0.16 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1qe5 s ALA 97 CO 0.02 0.40 0.25 -1.17 0.00 0.00 0.00 175.76 175.26 1qe5 s LEU 98 N -0.29 4.38 -0.41 0.00 0.20 -0.20 -0.47 118.68 121.90 1qe5 s LEU 98 Ca 0.06 -0.28 -0.12 0.00 0.69 0.00 0.00 54.13 54.49 1qe5 s LEU 98 Cb -0.12 -2.17 0.05 0.00 -0.43 0.00 0.00 46.19 43.51 1qe5 s LEU 98 CO 0.02 -0.21 0.26 -0.69 -0.29 0.00 0.00 176.35 175.45 1qe5 s VAL 99 N 1.78 4.65 0.69 1.68 1.01 0.84 -1.03 120.40 130.02 1qe5 s VAL 99 Ca 0.07 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1qe5 s VAL 99 Cb -0.17 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1qe5 s VAL 99 CO 0.11 -0.38 1.20 -0.76 0.00 0.00 0.00 175.10 175.26 1qe5 s LEU 100 N 1.54 3.41 0.00 3.92 1.02 -0.33 -1.42 118.68 126.82 1qe5 s LEU 100 Ca 0.03 2.34 0.00 0.00 0.02 0.00 0.00 54.13 56.52 1qe5 s LEU 100 Cb -0.21 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.41 1qe5 s LEU 100 CO 0.06 -2.04 0.00 0.61 0.02 0.00 0.00 176.35 175.00 1qe5 n GLY 101 N 0.34 -3.54 0.00 -3.19 0.00 -1.25 -4.66 105.19 92.89 1qe5 n GLY 101 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1qe5 n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qe5 n SER 102 N 0.00 0.00 -3.67 1.61 3.41 -1.26 -4.73 113.62 108.97 1qe5 n SER 102 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1qe5 n SER 102 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1qe5 n SER 102 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1qe5 s ARG 103 N 0.00 0.64 -0.20 4.33 3.52 -1.26 -4.84 118.95 121.13 1qe5 s ARG 103 Ca 0.00 0.87 -0.15 0.00 -0.13 0.00 0.00 55.73 56.32 1qe5 s ARG 103 Cb 0.00 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 1qe5 s ARG 103 CO 0.00 -0.10 0.37 0.99 -0.81 0.00 0.00 175.30 175.74 1qe5 s THR 104 N 0.67 5.22 0.31 4.11 2.01 -1.26 -5.09 115.64 121.62 1qe5 s THR 104 Ca -0.03 0.64 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 1qe5 s THR 104 Cb -0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1qe5 s THR 104 CO -0.04 0.27 0.53 -1.00 -0.69 0.00 0.00 174.62 173.69 1qe5 s HIS 105 N 1.20 3.49 0.21 4.92 0.09 -1.26 -4.54 115.29 119.40 1qe5 s HIS 105 Ca 0.18 0.42 -0.10 0.00 -0.00 0.00 0.00 55.06 55.55 1qe5 s HIS 105 Cb -0.14 -1.94 0.17 0.00 -0.00 0.00 0.00 32.58 30.66 1qe5 s HIS 105 CO 0.07 0.17 1.86 1.25 -0.00 0.00 0.00 174.74 178.09 1qe5 h LEU 106 N 1.14 0.77 0.00 0.89 6.46 -1.87 -2.15 115.31 120.56 1qe5 h LEU 106 Ca -0.49 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1qe5 h LEU 106 Cb 1.21 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1qe5 h LEU 106 CO 0.63 0.55 0.00 0.00 -0.62 0.00 0.00 178.44 179.00 1qe5 n TYR 107 N -4.62 0.00 1.18 1.25 0.18 -1.26 -1.10 117.16 112.79 1qe5 n TYR 107 Ca 0.07 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.98 1qe5 n TYR 107 Cb 0.05 -0.47 0.65 0.00 -0.38 0.00 0.00 39.34 39.20 1qe5 n TYR 107 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1qe5 n GLU 108 N -1.47 0.27 -1.24 -3.48 1.02 -0.81 -4.88 120.64 110.05 1qe5 n GLU 108 Ca 0.01 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 1qe5 n GLU 108 Cb 0.03 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.92 1qe5 n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qe5 n GLY 109 N 1.12 0.99 1.20 0.62 0.00 -0.26 -4.89 105.19 103.97 1qe5 n GLY 109 Ca 0.11 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1qe5 n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qe5 n LYS 110 N -2.30 2.55 0.00 1.61 5.02 -1.26 -5.05 118.16 118.73 1qe5 n LYS 110 Ca -0.08 -2.32 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 1qe5 n LYS 110 Cb 0.33 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1qe5 n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qe5 n GLY 111 N 1.48 0.58 0.21 0.72 0.00 -1.26 -4.40 105.19 102.53 1qe5 n GLY 111 Ca 0.22 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.55 1qe5 n GLY 111 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qe5 h VAL 112 N 0.00 1.06 -0.86 1.61 3.04 -1.96 -2.86 116.25 116.29 1qe5 h VAL 112 Ca 0.00 -0.95 -0.02 0.00 -1.01 0.00 0.00 66.70 64.72 1qe5 h VAL 112 Cb 0.00 1.53 -0.04 0.00 -2.01 0.00 0.00 31.29 30.77 1qe5 h VAL 112 CO 0.00 0.26 0.44 0.03 -1.01 0.00 0.00 177.57 177.29 1qe5 h ARG 113 N 0.00 1.21 0.00 4.17 3.08 -1.92 -2.02 114.38 118.90 1qe5 h ARG 113 Ca -0.00 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1qe5 h ARG 113 Cb 0.51 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1qe5 h ARG 113 CO 0.03 0.91 -0.52 0.00 -1.07 0.00 0.00 179.97 179.32 1qe5 h ALA 114 N 1.27 1.10 -0.09 0.04 0.00 -1.71 -2.27 119.26 117.60 1qe5 h ALA 114 Ca 0.30 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1qe5 h ALA 114 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1qe5 h ALA 114 CO -0.04 0.65 -0.59 0.28 0.00 0.00 0.00 179.25 179.55 1qe5 h VAL 115 N 0.00 1.37 -0.30 0.00 2.07 -1.28 -3.28 116.25 114.83 1qe5 h VAL 115 Ca -0.01 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1qe5 h VAL 115 Cb 0.95 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1qe5 h VAL 115 CO 0.07 0.58 0.00 1.33 0.02 0.00 0.00 177.57 179.57 1qe5 n VAL 116 N -3.89 1.52 -0.21 2.57 0.24 -0.94 -4.59 118.33 113.02 1qe5 n VAL 116 Ca -0.03 -1.36 -0.08 0.00 -2.04 0.00 0.00 64.34 60.84 1qe5 n VAL 116 Cb 0.61 0.19 0.03 0.00 -1.47 0.00 0.00 33.84 33.20 1qe5 n VAL 116 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1qe5 h HIS 117 N 1.88 0.95 -0.41 6.34 2.76 -1.47 -2.37 115.15 122.83 1qe5 h HIS 117 Ca 0.00 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1qe5 h HIS 117 Cb 1.01 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 1qe5 h HIS 117 CO 0.33 0.78 0.17 0.78 -1.30 0.00 0.00 177.93 178.69 1qe5 h GLY 118 N 0.84 0.54 0.94 5.26 0.00 -1.82 0.21 103.07 109.03 1qe5 h GLY 118 Ca 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1qe5 h GLY 118 CO -0.01 0.05 0.57 -2.08 0.00 0.00 0.00 176.54 175.08 1qe5 h VAL 119 N 0.34 1.18 0.00 4.60 2.07 -1.81 -0.87 116.25 121.76 1qe5 h VAL 119 Ca 0.18 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 1qe5 h VAL 119 Cb 0.14 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1qe5 h VAL 119 CO -0.17 0.21 -0.75 0.03 0.02 0.00 0.00 177.57 176.92 1qe5 h ARG 120 N 1.14 0.00 -0.13 1.57 3.08 -0.85 -1.91 114.38 117.28 1qe5 h ARG 120 Ca 0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 1qe5 h ARG 120 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1qe5 h ARG 120 CO -0.09 0.75 0.03 1.15 -1.07 0.00 0.00 179.97 180.73 1qe5 h THR 121 N 0.00 1.20 -0.47 2.04 2.02 -0.32 -1.99 112.91 115.38 1qe5 h THR 121 Ca -0.01 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.64 1qe5 h THR 121 Cb 1.35 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 69.05 1qe5 h THR 121 CO 0.10 0.18 0.08 0.00 0.37 0.00 0.00 175.52 176.25 1qe5 h ALA 122 N 0.83 0.52 -0.66 6.16 0.00 -1.02 -0.45 119.26 124.64 1qe5 h ALA 122 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1qe5 h ALA 122 Cb 0.25 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1qe5 h ALA 122 CO 0.00 -0.32 0.34 0.00 0.00 0.00 0.00 179.25 179.27 1qe5 h ALA 123 N 1.38 1.35 0.00 0.00 0.00 -1.22 -1.81 119.26 118.96 1qe5 h ALA 123 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qe5 h ALA 123 Cb 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qe5 h ALA 123 CO -0.32 0.52 -0.07 0.00 0.00 0.00 0.00 179.25 179.38 1qe5 h ALA 124 N 1.45 1.15 -0.00 0.00 0.00 -0.31 -0.29 119.26 121.25 1qe5 h ALA 124 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qe5 h ALA 124 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qe5 h ALA 124 CO -0.03 0.09 -0.10 0.25 0.00 0.00 0.00 179.25 179.46 1qe5 n THR 125 N -3.38 0.00 0.00 0.00 -2.24 -0.69 -4.89 114.28 103.07 1qe5 n THR 125 Ca -0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1qe5 n THR 125 Cb 0.23 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1qe5 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qe5 n GLY 126 N 1.25 0.36 3.67 3.38 0.00 -0.12 -1.72 105.19 112.00 1qe5 n GLY 126 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1qe5 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe5 n ALA 127 N -1.84 0.94 0.58 4.61 0.00 -0.65 -4.72 120.51 119.44 1qe5 n ALA 127 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.88 1qe5 n ALA 127 Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.18 1qe5 n ALA 127 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qe5 n GLU 128 N 1.06 2.66 -4.49 0.00 1.02 -0.62 -4.66 120.64 115.61 1qe5 n GLU 128 Ca 0.08 -0.17 -0.21 0.00 -0.02 0.00 0.00 57.16 56.84 1qe5 n GLU 128 Cb 0.34 -1.11 -0.15 0.00 -0.02 0.00 0.00 31.44 30.50 1qe5 n GLU 128 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qe5 s THR 129 N -2.04 0.92 -0.04 2.62 2.01 -1.21 -1.36 115.64 116.53 1qe5 s THR 129 Ca 0.06 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1qe5 s THR 129 Cb 0.10 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1qe5 s THR 129 CO 0.47 0.27 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.33 1qe5 s LEU 130 N 0.01 1.80 -0.20 4.42 0.20 -0.12 -1.01 118.68 123.79 1qe5 s LEU 130 Ca -0.00 -0.26 -0.01 0.00 0.69 0.00 0.00 54.13 54.54 1qe5 s LEU 130 Cb -0.07 -0.75 0.01 0.00 -0.43 0.00 0.00 46.19 44.95 1qe5 s LEU 130 CO 0.00 0.09 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.39 1qe5 s ILE 131 N 0.22 2.56 -0.11 6.68 1.01 -0.29 -0.41 121.20 130.86 1qe5 s ILE 131 Ca -0.05 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 1qe5 s ILE 131 Cb -0.11 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1qe5 s ILE 131 CO 0.02 0.47 -0.08 -0.76 0.00 0.00 0.00 174.94 174.58 1qe5 s LEU 132 N 1.35 3.04 0.13 2.97 1.43 0.05 -1.80 118.68 125.84 1qe5 s LEU 132 Ca 0.05 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1qe5 s LEU 132 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1qe5 s LEU 132 CO -0.09 0.25 -0.15 0.42 0.23 0.00 0.00 176.35 177.02 1qe5 s THR 133 N -0.17 1.41 0.26 5.49 -4.23 -0.97 -1.15 115.64 116.30 1qe5 s THR 133 Ca 0.02 -1.73 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 1qe5 s THR 133 Cb -0.13 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.15 1qe5 s THR 133 CO 0.03 -0.38 0.58 0.54 -0.54 0.00 0.00 174.62 174.85 1qe5 s ASN 134 N -2.45 -0.16 -0.16 3.99 4.22 -0.99 -2.88 114.94 116.52 1qe5 s ASN 134 Ca 0.10 -0.79 -0.04 0.00 -2.14 0.00 0.00 52.86 49.98 1qe5 s ASN 134 Cb -0.05 0.65 -0.03 0.00 1.28 0.00 0.00 41.25 43.10 1qe5 s ASN 134 CO 0.04 -1.23 -0.04 -0.83 -2.04 0.00 0.00 177.10 173.00 1qe5 s GLY 135 N -2.98 1.72 0.32 0.45 0.00 -1.16 -0.80 107.32 104.87 1qe5 s GLY 135 Ca 0.18 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.13 1qe5 s GLY 135 CO 0.08 -0.06 0.25 0.00 0.00 0.00 0.00 173.10 173.38 1qe5 s GLY 137 N -3.36 2.36 0.16 0.00 0.00 0.52 -0.53 107.32 106.48 1qe5 s GLY 137 Ca 0.40 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 44.82 1qe5 s GLY 137 CO 0.25 -0.11 0.05 -0.32 0.00 0.00 0.00 173.10 172.97 1qe5 s GLY 138 N -1.56 1.74 0.00 0.20 0.00 -0.03 -1.56 107.32 106.12 1qe5 s GLY 138 Ca 0.30 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.74 1qe5 s GLY 138 CO 0.16 -1.30 0.53 1.04 0.00 0.00 0.00 173.10 173.53 1qe5 n LEU 139 N -0.14 1.10 -4.48 0.66 4.32 -0.60 -0.21 117.00 117.65 1qe5 n LEU 139 Ca -0.09 -0.97 -0.38 0.00 -0.02 0.00 0.00 56.01 54.55 1qe5 n LEU 139 Cb 0.55 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.23 1qe5 n LEU 139 CO 0.40 0.26 -0.21 0.21 -1.22 0.00 0.00 177.39 176.83 1qe5 s ASN 140 N -0.22 5.58 0.57 -1.43 3.84 -1.26 -4.98 114.94 117.04 1qe5 s ASN 140 Ca 0.02 -0.31 0.32 0.00 0.21 0.00 0.00 52.86 53.11 1qe5 s ASN 140 Cb 0.02 -2.02 1.74 0.00 -0.55 0.00 0.00 41.25 40.44 1qe5 s ASN 140 CO 0.03 -0.12 2.17 1.56 -2.79 0.00 0.00 177.10 177.95 1qe5 h GLN 141 N 8.33 0.00 0.00 0.43 4.20 -1.93 -1.82 115.11 124.33 1qe5 h GLN 141 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1qe5 h GLN 141 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1qe5 h GLN 141 CO 0.59 0.06 0.00 0.39 -0.67 0.00 0.00 178.83 179.20 1qe5 n GLU 142 N -3.52 0.06 -3.87 1.46 1.02 -1.26 -4.24 120.64 110.29 1qe5 n GLU 142 Ca -0.02 0.25 -0.33 0.00 -0.02 0.00 0.00 57.16 57.05 1qe5 n GLU 142 Cb 0.17 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 1qe5 n GLU 142 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1qe5 s TRP 143 N -2.86 3.31 0.99 -0.32 0.51 -0.68 -5.09 118.94 114.79 1qe5 s TRP 143 Ca 0.08 -2.98 -0.15 0.00 -2.12 0.00 0.00 56.10 50.93 1qe5 s TRP 143 Cb 0.08 -2.97 0.19 0.00 -0.81 0.00 0.00 33.47 29.95 1qe5 s TRP 143 CO 0.21 -0.80 1.18 0.20 -0.51 0.00 0.00 176.95 177.24 1qe5 s GLY 144 N 0.19 1.63 0.44 0.98 0.00 -1.26 -4.81 107.32 104.48 1qe5 s GLY 144 Ca 0.16 -0.81 -0.23 0.00 0.00 0.00 0.00 44.72 43.84 1qe5 s GLY 144 CO -0.02 -0.12 0.81 0.00 0.00 0.00 0.00 173.10 173.77 1qe5 n ALA 145 N -3.99 -0.55 0.00 3.20 0.00 -1.26 -1.37 120.51 116.53 1qe5 n ALA 145 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1qe5 n ALA 145 Cb 0.59 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1qe5 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qe5 n GLY 146 N 1.45 2.13 3.67 0.00 0.00 0.05 -4.89 105.19 107.61 1qe5 n GLY 146 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1qe5 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qe5 s THR 147 N -2.34 4.74 0.18 2.61 2.01 -0.47 -4.82 115.64 117.54 1qe5 s THR 147 Ca 0.00 2.01 -0.25 0.00 0.31 0.00 0.00 61.69 63.76 1qe5 s THR 147 Cb 0.00 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 1qe5 s THR 147 CO 0.00 -0.09 0.79 -2.16 -0.69 0.00 0.00 174.62 172.47 1qe5 s PRO 148 N 2.63 4.56 -0.03 4.92 0.04 -1.26 -1.13 135.00 144.73 1qe5 s PRO 148 Ca 0.45 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.67 1qe5 s PRO 148 Cb -0.16 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1qe5 s PRO 148 CO 0.11 0.54 -0.07 0.08 0.04 0.00 0.00 177.00 177.71 1qe5 s VAL 149 N -1.20 0.66 0.16 -0.36 1.01 0.36 -4.42 120.40 116.60 1qe5 s VAL 149 Ca 0.37 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1qe5 s VAL 149 Cb -0.23 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1qe5 s VAL 149 CO 0.26 0.23 1.01 -0.76 0.00 0.00 0.00 175.10 175.84 1qe5 s LEU 150 N 0.49 4.53 -0.28 3.92 1.43 0.12 0.13 118.68 129.01 1qe5 s LEU 150 Ca -0.07 1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 1qe5 s LEU 150 Cb -0.11 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1qe5 s LEU 150 CO 0.01 -0.07 1.17 -0.76 0.23 0.00 0.00 176.35 176.93 1qe5 s LEU 151 N -0.40 3.97 0.09 1.79 1.02 -0.58 -0.19 118.68 124.38 1qe5 s LEU 151 Ca 0.46 1.23 0.16 0.00 0.02 0.00 0.00 54.13 56.00 1qe5 s LEU 151 Cb -0.26 -3.54 -0.11 0.00 0.02 0.00 0.00 46.19 42.29 1qe5 s LEU 151 CO 0.32 -0.91 0.91 0.77 0.02 0.00 0.00 176.35 177.47 1qe5 h SER 152 N 8.44 0.00 -5.69 2.29 4.64 -1.32 -3.42 113.55 118.48 1qe5 h SER 152 Ca -0.23 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.38 1qe5 h SER 152 Cb 1.08 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.08 1qe5 h SER 152 CO 1.02 0.59 0.77 -0.62 -0.87 0.00 0.00 176.83 177.73 1qe5 s ASP 153 N -5.90 -0.05 0.24 4.97 -1.08 -1.25 -4.61 116.67 108.99 1qe5 s ASP 153 Ca -0.02 -0.26 -0.00 0.00 -0.52 0.00 0.00 52.55 51.75 1qe5 s ASP 153 Cb 0.09 0.24 -0.03 0.00 -1.46 0.00 0.00 42.92 41.76 1qe5 s ASP 153 CO 0.80 -0.47 0.20 -1.38 0.52 0.00 0.00 175.17 174.85 1qe5 s HIS 154 N -2.39 1.23 -0.14 -5.34 -3.43 -1.26 -2.00 115.29 101.96 1qe5 s HIS 154 Ca 0.19 -1.39 -0.02 0.00 -0.80 0.00 0.00 55.06 53.03 1qe5 s HIS 154 Cb 0.02 -0.52 0.05 0.00 -1.43 0.00 0.00 32.58 30.70 1qe5 s HIS 154 CO -0.01 -0.74 0.03 0.42 -2.00 0.00 0.00 174.74 172.44 1qe5 s ILE 155 N -3.94 0.38 -0.33 -5.38 1.01 0.15 -4.90 121.20 108.19 1qe5 s ILE 155 Ca 0.38 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.59 1qe5 s ILE 155 Cb 0.05 -0.77 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 1qe5 s ILE 155 CO 0.16 -0.03 0.67 0.21 0.00 0.00 0.00 174.94 175.95 1qe5 s ASN 156 N 1.94 6.49 -0.23 3.58 2.47 -1.26 -1.58 114.94 126.35 1qe5 s ASN 156 Ca 0.02 0.32 0.13 0.00 0.42 0.00 0.00 52.86 53.76 1qe5 s ASN 156 Cb -0.15 -2.35 0.52 0.00 -1.45 0.00 0.00 41.25 37.83 1qe5 s ASN 156 CO -0.07 -0.58 1.45 0.18 -3.72 0.00 0.00 177.10 174.37 1qe5 n LEU 157 N 6.06 4.07 0.01 3.21 4.77 -0.25 -4.55 117.00 130.31 1qe5 n LEU 157 Ca -0.00 -3.34 0.11 0.00 -0.03 0.00 0.00 56.01 52.75 1qe5 n LEU 157 Cb 0.49 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1qe5 n LEU 157 CO 0.49 0.92 0.10 0.35 -1.33 0.00 0.00 177.39 177.91 1qe5 n THR 158 N -0.80 0.05 -1.62 -5.08 -2.24 -1.24 -4.51 114.28 98.85 1qe5 n THR 158 Ca 0.27 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1qe5 n THR 158 Cb 0.98 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1qe5 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qe5 n ALA 159 N -1.62 -0.22 -2.43 6.98 0.00 -1.26 -4.91 120.51 117.05 1qe5 n ALA 159 Ca 0.04 0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1qe5 n ALA 159 Cb 0.37 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 1qe5 n ALA 159 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qe5 s ARG 160 N -3.48 1.56 -0.03 0.00 1.81 -1.26 -5.15 118.95 112.40 1qe5 s ARG 160 Ca 0.00 -1.81 -0.06 0.00 -1.72 0.00 0.00 55.73 52.13 1qe5 s ARG 160 Cb 0.00 -1.03 0.01 0.00 -0.45 0.00 0.00 34.95 33.48 1qe5 s ARG 160 CO 0.00 -0.04 0.15 0.45 -0.68 0.00 0.00 175.30 175.18 1qe5 s SER 161 N -3.44 -0.08 0.02 0.23 0.15 -1.26 -5.03 113.70 104.29 1qe5 s SER 161 Ca 0.31 0.08 0.26 0.00 0.70 0.00 0.00 55.95 57.30 1qe5 s SER 161 Cb 0.05 0.27 0.77 0.00 -1.71 0.00 0.00 66.02 65.40 1qe5 s SER 161 CO 0.12 -0.20 1.60 -0.81 1.20 0.00 0.00 173.24 175.16 1qe5 n PRO 162 N 2.27 0.03 -3.11 5.44 -0.04 -1.26 -4.87 135.00 133.46 1qe5 n PRO 162 Ca -0.17 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 1qe5 n PRO 162 Cb 0.57 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1qe5 n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qe5 s LEU 163 N -3.16 4.51 0.00 1.53 1.43 -1.26 -4.94 118.68 116.79 1qe5 s LEU 163 Ca 0.12 1.46 0.14 0.00 -1.03 0.00 0.00 54.13 54.82 1qe5 s LEU 163 Cb 0.18 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1qe5 s LEU 163 CO 0.64 0.18 0.80 -0.62 0.23 0.00 0.00 176.35 177.58 1qe5 n GLU 164 N 1.39 1.75 -0.75 1.70 1.02 -1.26 -5.03 120.64 119.46 1qe5 n GLU 164 Ca -0.06 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1qe5 n GLU 164 Cb 0.50 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1qe5 n GLU 164 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qe5 n GLY 165 N 1.06 3.55 3.45 0.62 0.00 -1.26 -4.97 105.19 107.64 1qe5 n GLY 165 Ca 0.06 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1qe5 n GLY 165 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qe5 n PRO 166 N 0.00 0.70 -3.38 1.61 -0.04 -1.26 -4.67 135.00 127.95 1qe5 n PRO 166 Ca 0.00 -1.69 -0.45 0.00 -0.04 0.00 0.00 63.50 61.32 1qe5 n PRO 166 Cb 0.00 -3.25 -0.05 0.00 -0.04 0.00 0.00 33.50 30.16 1qe5 n PRO 166 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qe5 s THR 167 N 10.31 5.13 -1.07 0.52 2.01 -1.26 -4.96 115.64 126.32 1qe5 s THR 167 Ca 0.70 -2.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.59 1qe5 s THR 167 Cb 0.06 -4.25 0.24 0.00 0.01 0.00 0.00 72.50 68.56 1qe5 s THR 167 CO 0.21 -0.92 1.10 -0.36 -0.69 0.00 0.00 174.62 173.97 1qe5 s PHE 168 N 0.92 4.01 -0.12 4.92 0.08 -1.26 -4.98 117.98 121.54 1qe5 s PHE 168 Ca 0.10 -2.42 -0.13 0.00 0.12 0.00 0.00 56.93 54.60 1qe5 s PHE 168 Cb -0.21 -3.93 -0.05 0.00 -0.57 0.00 0.00 43.02 38.26 1qe5 s PHE 168 CO -0.02 -1.05 0.29 0.54 -0.10 0.00 0.00 175.22 174.87 1qe5 s VAL 169 N -0.37 5.29 -0.12 -0.44 0.11 -1.26 -5.11 120.40 118.50 1qe5 s VAL 169 Ca 0.30 0.54 -0.26 0.00 -2.93 0.00 0.00 61.98 59.64 1qe5 s VAL 169 Cb -0.09 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.14 1qe5 s VAL 169 CO -0.07 0.46 0.84 -0.62 -3.33 0.00 0.00 175.10 172.38 1qe5 s ASP 170 N -0.07 7.05 -0.26 3.54 2.15 -1.26 -4.96 116.67 122.87 1qe5 s ASP 170 Ca 0.17 1.28 0.11 0.00 0.43 0.00 0.00 52.55 54.55 1qe5 s ASP 170 Cb -0.13 -2.47 0.51 0.00 -0.30 0.00 0.00 42.92 40.53 1qe5 s ASP 170 CO 0.06 -0.32 1.45 0.18 -0.17 0.00 0.00 175.17 176.37 1qe5 n LEU 171 N 4.68 4.06 0.30 -1.34 4.77 -1.26 -4.72 117.00 123.49 1qe5 n LEU 171 Ca 0.04 -3.51 0.18 0.00 -0.03 0.00 0.00 56.01 52.68 1qe5 n LEU 171 Cb 0.50 -0.61 0.93 0.00 -2.33 0.00 0.00 43.42 41.91 1qe5 n LEU 171 CO 0.49 1.05 1.08 0.74 -1.33 0.00 0.00 177.39 179.42 1qe5 h THR 172 N 1.21 0.27 -1.23 -5.08 2.02 -2.05 -3.25 112.91 104.79 1qe5 h THR 172 Ca 0.16 -0.25 -0.42 0.00 0.77 0.00 0.00 66.41 66.67 1qe5 h THR 172 Cb 1.61 1.19 -0.30 0.00 -1.74 0.00 0.00 68.15 68.91 1qe5 h THR 172 CO 0.34 0.04 -0.88 0.47 0.37 0.00 0.00 175.52 175.86 1qe5 n ASP 173 N -3.39 -0.86 -0.20 4.18 8.00 -1.26 -4.98 116.55 118.03 1qe5 n ASP 173 Ca -0.02 -3.01 -0.05 0.00 0.71 0.00 0.00 54.79 52.42 1qe5 n ASP 173 Cb 0.16 0.32 0.05 0.00 -0.02 0.00 0.00 41.12 41.64 1qe5 n ASP 173 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1qe5 h VAL 174 N 2.23 1.08 -3.30 2.53 2.07 -1.90 -3.37 116.25 115.60 1qe5 h VAL 174 Ca -0.01 -0.25 -0.74 0.00 0.82 0.00 0.00 66.70 66.53 1qe5 h VAL 174 Cb 0.96 0.29 -0.23 0.00 -1.52 0.00 0.00 31.29 30.79 1qe5 h VAL 174 CO 0.40 0.13 -0.33 -0.31 0.02 0.00 0.00 177.57 177.48 1qe5 s TYR 175 N -6.13 3.25 -0.32 1.57 2.02 -1.26 -4.21 117.35 112.26 1qe5 s TYR 175 Ca -0.13 -1.00 -0.42 0.00 -0.37 0.00 0.00 57.07 55.14 1qe5 s TYR 175 Cb 0.14 -3.20 -0.18 0.00 -0.40 0.00 0.00 41.96 38.33 1qe5 s TYR 175 CO 0.75 -0.82 1.62 0.45 -1.57 0.00 0.00 175.55 175.99 1qe5 n SER 176 N 5.18 1.76 -0.02 2.29 2.88 -0.92 -4.88 113.62 119.92 1qe5 n SER 176 Ca -0.12 1.13 0.01 0.00 -1.33 0.00 0.00 58.87 58.55 1qe5 n SER 176 Cb 0.43 -1.03 0.32 0.00 -0.75 0.00 0.00 64.21 63.18 1qe5 n SER 176 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1qe5 h PRO 177 N 5.96 0.56 -0.00 -1.46 0.11 -1.91 -1.76 132.00 133.50 1qe5 h PRO 177 Ca -0.46 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 65.58 1qe5 h PRO 177 Cb 1.35 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1qe5 h PRO 177 CO 0.94 0.52 -0.11 -0.09 -0.21 0.00 0.00 178.00 179.05 1qe5 h ARG 178 N 0.55 -0.18 -0.14 1.05 2.43 -1.98 0.12 114.38 116.23 1qe5 h ARG 178 Ca 0.13 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1qe5 h ARG 178 Cb 0.22 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1qe5 h ARG 178 CO -0.00 -0.12 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.02 1qe5 h LEU 179 N -0.19 0.25 -0.79 3.80 3.38 -1.85 -0.93 115.31 118.98 1qe5 h LEU 179 Ca 0.04 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1qe5 h LEU 179 Cb 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1qe5 h LEU 179 CO -0.12 0.50 -0.49 0.03 0.09 0.00 0.00 178.44 178.46 1qe5 h ARG 180 N 0.23 0.00 0.09 1.13 3.08 -0.68 -1.93 114.38 116.31 1qe5 h ARG 180 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1qe5 h ARG 180 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1qe5 h ARG 180 CO 0.04 0.49 -0.04 1.49 -1.07 0.00 0.00 179.97 180.87 1qe5 h GLU 181 N 0.00 -0.12 -0.90 0.04 4.22 -0.08 -1.67 114.58 116.07 1qe5 h GLU 181 Ca -0.00 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.50 1qe5 h GLU 181 Cb 1.02 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 1qe5 h GLU 181 CO 0.06 0.19 0.58 -0.07 -2.18 0.00 0.00 179.01 177.59 1qe5 h LEU 182 N -0.43 0.93 -1.83 1.64 3.38 -1.08 0.16 115.31 118.08 1qe5 h LEU 182 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1qe5 h LEU 182 Cb 0.36 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1qe5 h LEU 182 CO 0.02 0.61 -0.09 0.00 0.09 0.00 0.00 178.44 179.06 1qe5 h ALA 183 N 1.41 1.82 0.00 1.53 0.00 -1.20 0.57 119.26 123.38 1qe5 h ALA 183 Ca 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1qe5 h ALA 183 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qe5 h ALA 183 CO -0.16 0.12 -0.04 0.45 0.00 0.00 0.00 179.25 179.62 1qe5 h HIS 184 N 0.00 0.00 -0.07 0.00 3.86 0.26 -0.63 115.15 118.56 1qe5 h HIS 184 Ca -0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1qe5 h HIS 184 Cb 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1qe5 h HIS 184 CO 0.00 0.04 -0.72 0.00 0.86 0.00 0.00 177.93 178.11 1qe5 h ARG 185 N 0.00 0.37 -0.04 2.45 3.08 0.21 -1.50 114.38 118.95 1qe5 h ARG 185 Ca -0.00 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 1qe5 h ARG 185 Cb 0.97 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.09 1qe5 h ARG 185 CO 0.01 0.94 -0.36 0.28 -1.07 0.00 0.00 179.97 179.77 1qe5 h VAL 186 N 0.25 1.46 -2.26 2.04 2.07 -1.14 -3.42 116.25 115.26 1qe5 h VAL 186 Ca -0.03 -1.86 -0.48 0.00 0.82 0.00 0.00 66.70 65.15 1qe5 h VAL 186 Cb 1.29 2.51 -0.35 0.00 -1.52 0.00 0.00 31.29 33.22 1qe5 h VAL 186 CO 0.12 0.53 -0.79 -0.62 0.02 0.00 0.00 177.57 176.83 1qe5 s ASP 187 N -6.44 1.95 0.04 0.57 -1.08 -0.27 -5.00 116.67 106.44 1qe5 s ASP 187 Ca -0.14 -2.01 0.02 0.00 -0.52 0.00 0.00 52.55 49.89 1qe5 s ASP 187 Cb 0.03 0.06 0.10 0.00 -1.46 0.00 0.00 42.92 41.64 1qe5 s ASP 187 CO 0.77 -0.27 0.94 -0.81 0.52 0.00 0.00 175.17 176.32 1qe5 n PRO 188 N 3.98 0.01 0.00 4.34 -0.04 -0.57 -1.63 135.00 141.09 1qe5 n PRO 188 Ca 0.14 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 1qe5 n PRO 188 Cb 0.42 -1.67 0.25 0.00 -0.04 0.00 0.00 33.50 32.46 1qe5 n PRO 188 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qe5 n THR 189 N -1.46 0.00 -1.70 0.52 -2.24 -1.26 -4.93 114.28 103.22 1qe5 n THR 189 Ca -0.00 -0.04 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 1qe5 n THR 189 Cb 0.13 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1qe5 n THR 189 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qe5 n LEU 190 N -1.26 3.62 -4.96 3.22 4.77 -0.65 -4.99 117.00 116.75 1qe5 n LEU 190 Ca 0.07 1.07 -0.26 0.00 -0.03 0.00 0.00 56.01 56.86 1qe5 n LEU 190 Cb 0.34 -1.51 0.11 0.00 -2.33 0.00 0.00 43.42 40.03 1qe5 n LEU 190 CO 0.33 -0.02 0.64 -2.16 -1.33 0.00 0.00 177.39 174.85 1qe5 s PRO 191 N 1.13 1.64 0.16 3.23 0.04 -1.26 -4.84 135.00 135.10 1qe5 s PRO 191 Ca 0.77 -0.65 0.09 0.00 0.04 0.00 0.00 61.00 61.24 1qe5 s PRO 191 Cb -0.58 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1qe5 s PRO 191 CO 0.35 -1.57 -0.19 -1.21 0.04 0.00 0.00 177.00 174.42 1qe5 s GLU 192 N -5.33 1.28 0.22 4.56 2.02 -1.26 0.12 118.70 120.31 1qe5 s GLU 192 Ca 0.66 -1.38 -0.22 0.00 0.02 0.00 0.00 54.97 54.04 1qe5 s GLU 192 Cb -0.07 -1.40 0.04 0.00 0.10 0.00 0.00 34.13 32.80 1qe5 s GLU 192 CO 0.46 0.29 0.67 0.20 0.02 0.00 0.00 175.26 176.91 1qe5 s GLY 193 N -2.54 -0.34 -0.21 -1.39 0.00 0.74 -4.87 107.32 98.72 1qe5 s GLY 193 Ca 0.15 0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.84 1qe5 s GLY 193 CO 0.07 0.03 0.14 0.14 0.00 0.00 0.00 173.10 173.47 1qe5 s VAL 194 N -3.82 5.36 -0.17 1.40 1.01 -1.26 -0.82 120.40 122.11 1qe5 s VAL 194 Ca 0.06 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1qe5 s VAL 194 Cb -0.04 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1qe5 s VAL 194 CO -0.02 0.41 0.05 -0.47 0.00 0.00 0.00 175.10 175.07 1qe5 s TYR 195 N 0.58 3.24 -0.21 5.22 6.14 -0.85 0.19 117.35 131.65 1qe5 s TYR 195 Ca 0.08 0.07 -0.05 0.00 0.64 0.00 0.00 57.07 57.81 1qe5 s TYR 195 Cb -0.12 -2.03 -0.02 0.00 0.42 0.00 0.00 41.96 40.21 1qe5 s TYR 195 CO 0.00 0.19 -0.01 0.00 0.64 0.00 0.00 175.55 176.37 1qe5 s ALA 196 N 0.19 2.93 -0.17 3.97 0.00 0.72 -0.68 121.76 128.72 1qe5 s ALA 196 Ca 0.04 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1qe5 s ALA 196 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1qe5 s ALA 196 CO 0.01 -0.32 0.38 -1.14 0.00 0.00 0.00 175.76 174.68 1qe5 s GLN 197 N 1.30 4.23 0.03 0.00 0.74 -0.61 -2.01 119.66 123.35 1qe5 s GLN 197 Ca 0.04 0.22 0.02 0.00 0.05 0.00 0.00 55.36 55.69 1qe5 s GLN 197 Cb -0.14 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1qe5 s GLN 197 CO -0.00 0.09 0.02 -0.06 -0.55 0.00 0.00 175.29 174.79 1qe5 s PHE 198 N 0.91 3.10 0.44 1.67 0.40 0.40 -1.09 117.98 123.81 1qe5 s PHE 198 Ca 0.20 0.08 0.11 0.00 -0.60 0.00 0.00 56.93 56.71 1qe5 s PHE 198 Cb -0.14 -1.64 0.98 0.00 0.51 0.00 0.00 43.02 42.72 1qe5 s PHE 198 CO 0.07 0.49 2.04 -1.00 0.70 0.00 0.00 175.22 177.51 1qe5 h PRO 199 N 3.97 0.22 0.00 0.24 0.13 -1.86 -3.39 132.00 131.32 1qe5 h PRO 199 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1qe5 h PRO 199 Cb 1.17 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1qe5 h PRO 199 CO 0.60 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 1qe5 n GLY 200 N -1.26 -1.25 0.14 1.56 0.00 -1.26 -4.08 105.19 99.04 1qe5 n GLY 200 Ca -0.01 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 45.00 1qe5 n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qe5 h PRO 201 N 0.00 0.00 -7.09 1.61 0.13 -1.93 -3.44 132.00 121.27 1qe5 h PRO 201 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1qe5 h PRO 201 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1qe5 h PRO 201 CO 0.00 0.00 0.52 -3.38 -0.23 0.00 0.00 178.00 174.91 1qe5 s HIS 202 N -3.21 2.26 0.72 1.56 -3.43 -1.26 -5.02 115.29 106.92 1qe5 s HIS 202 Ca 0.08 1.48 -0.11 0.00 -0.80 0.00 0.00 55.06 55.71 1qe5 s HIS 202 Cb 0.10 -3.62 0.03 0.00 -1.43 0.00 0.00 32.58 27.66 1qe5 s HIS 202 CO 0.56 -2.60 1.09 0.71 -2.00 0.00 0.00 174.74 172.51 1qe5 s TYR 203 N -1.46 3.20 0.50 0.38 2.02 -1.26 -5.03 117.35 115.70 1qe5 s TYR 203 Ca 0.78 0.90 -0.19 0.00 -0.37 0.00 0.00 57.07 58.19 1qe5 s TYR 203 Cb -0.35 -3.16 -0.08 0.00 -0.40 0.00 0.00 41.96 37.97 1qe5 s TYR 203 CO 0.38 -1.31 1.02 -1.21 -1.57 0.00 0.00 175.55 172.86 1qe5 s GLU 204 N -5.37 3.80 0.65 -0.62 8.01 -1.26 -5.05 118.70 118.86 1qe5 s GLU 204 Ca 0.59 1.23 -0.10 0.00 0.01 0.00 0.00 54.97 56.70 1qe5 s GLU 204 Cb -0.11 -2.10 -0.01 0.00 -4.31 0.00 0.00 34.13 27.60 1qe5 s GLU 204 CO 0.50 -0.41 1.04 0.95 0.01 0.00 0.00 175.26 177.34 1qe5 s THR 205 N -2.20 4.02 0.42 3.63 -4.23 -1.26 -4.70 115.64 111.33 1qe5 s THR 205 Ca 0.64 0.56 0.14 0.00 -1.18 0.00 0.00 61.69 61.86 1qe5 s THR 205 Cb -0.14 -3.64 0.34 0.00 1.34 0.00 0.00 72.50 70.40 1qe5 s THR 205 CO 0.24 -0.81 1.94 -0.65 -0.54 0.00 0.00 174.62 174.79 1qe5 h PRO 206 N -0.44 0.43 -0.32 3.99 0.11 -1.97 0.69 132.00 134.49 1qe5 h PRO 206 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1qe5 h PRO 206 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1qe5 h PRO 206 CO 0.63 0.28 -0.08 0.00 -0.21 0.00 0.00 178.00 178.62 1qe5 h ALA 207 N 1.66 0.44 -0.48 -0.75 0.00 -1.92 -0.95 119.26 117.26 1qe5 h ALA 207 Ca 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qe5 h ALA 207 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1qe5 h ALA 207 CO -0.11 0.28 0.26 0.93 0.00 0.00 0.00 179.25 180.61 1qe5 h GLU 208 N 0.39 0.65 -0.29 0.00 5.08 -1.65 0.79 114.58 119.55 1qe5 h GLU 208 Ca 0.08 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1qe5 h GLU 208 Cb 0.58 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1qe5 h GLU 208 CO 0.03 0.48 -0.36 0.28 -1.00 0.00 0.00 179.01 178.44 1qe5 h VAL 209 N 0.66 1.30 -0.75 3.13 2.07 -0.66 -0.09 116.25 121.91 1qe5 h VAL 209 Ca 0.17 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 66.16 1qe5 h VAL 209 Cb 0.02 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1qe5 h VAL 209 CO -0.03 0.50 0.48 0.03 0.02 0.00 0.00 177.57 178.57 1qe5 h ARG 210 N 0.51 0.94 0.01 1.57 3.08 -0.79 -2.01 114.38 117.69 1qe5 h ARG 210 Ca 0.04 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1qe5 h ARG 210 Cb 0.95 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 1qe5 h ARG 210 CO 0.09 0.62 -0.30 1.98 -1.07 0.00 0.00 179.97 181.29 1qe5 h MET 211 N 0.97 -0.43 -0.93 0.04 4.05 -0.42 -0.09 114.93 118.12 1qe5 h MET 211 Ca 0.28 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.84 1qe5 h MET 211 Cb -0.06 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.77 1qe5 h MET 211 CO -0.08 -0.29 0.60 0.00 0.23 0.00 0.00 176.91 177.37 1qe5 h ALA 212 N 0.31 1.62 -0.48 0.39 0.00 -0.59 0.20 119.26 120.71 1qe5 h ALA 212 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1qe5 h ALA 212 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qe5 h ALA 212 CO -0.25 0.17 -0.11 0.78 0.00 0.00 0.00 179.25 179.85 1qe5 h GLY 213 N 0.90 0.99 1.12 0.00 0.00 -0.60 -1.51 103.07 103.98 1qe5 h GLY 213 Ca 0.45 -0.81 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1qe5 h GLY 213 CO -0.21 0.74 0.58 -2.22 0.00 0.00 0.00 176.54 175.44 1qe5 h ILE 214 N 0.76 1.22 0.00 2.60 2.04 -0.08 -1.62 117.51 122.43 1qe5 h ILE 214 Ca 0.12 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1qe5 h ILE 214 Cb 0.66 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1qe5 h ILE 214 CO 0.05 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.59 1qe5 n LEU 215 N -4.41 0.25 0.00 1.44 4.77 -0.03 -4.87 117.00 114.14 1qe5 n LEU 215 Ca 0.10 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1qe5 n LEU 215 Cb 0.03 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1qe5 n LEU 215 CO 0.36 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1qe5 n GLY 216 N 0.16 1.14 3.85 -0.72 0.00 -0.61 -5.09 105.19 103.92 1qe5 n GLY 216 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1qe5 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe5 s ALA 217 N -2.00 3.20 -0.03 4.61 0.00 -0.61 -4.72 121.76 122.21 1qe5 s ALA 217 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1qe5 s ALA 217 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1qe5 s ALA 217 CO 0.00 0.02 0.09 -0.25 0.00 0.00 0.00 175.76 175.62 1qe5 n ASP 218 N -1.07 3.52 -3.89 0.00 8.00 0.51 -4.46 116.55 119.16 1qe5 n ASP 218 Ca 0.05 -0.10 -0.11 0.00 0.71 0.00 0.00 54.79 55.34 1qe5 n ASP 218 Cb 0.54 1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 42.64 1qe5 n ASP 218 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qe5 s LEU 219 N -3.06 2.03 -0.01 0.64 1.43 -0.65 -1.55 118.68 117.50 1qe5 s LEU 219 Ca -0.01 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1qe5 s LEU 219 Cb 0.02 0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 1qe5 s LEU 219 CO 0.15 -0.06 -0.20 0.68 0.23 0.00 0.00 176.35 177.14 1qe5 s VAL 220 N -0.30 1.59 0.00 -1.59 -7.23 -0.60 -0.20 120.40 112.07 1qe5 s VAL 220 Ca -0.03 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 1qe5 s VAL 220 Cb -0.02 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.60 1qe5 s VAL 220 CO -0.00 0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 1qe5 n GLY 221 N 2.56 2.81 0.92 2.32 0.00 -0.85 -0.35 105.19 112.59 1qe5 n GLY 221 Ca -0.15 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 45.02 1qe5 n GLY 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qe5 n MET 222 N 0.00 0.80 -1.04 1.61 2.81 -1.26 -0.45 117.12 119.58 1qe5 n MET 222 Ca 0.00 -2.56 0.00 0.00 -1.81 0.00 0.00 57.70 53.33 1qe5 n MET 222 Cb 0.00 -0.87 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 1qe5 n MET 222 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1qe5 n SER 223 N -0.40 0.00 0.00 7.83 3.41 -1.26 -4.63 113.62 118.57 1qe5 n SER 223 Ca 0.12 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1qe5 n SER 223 Cb 0.88 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1qe5 n SER 223 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qe5 n THR 224 N 0.00 0.00 -0.04 6.66 -1.04 -1.26 -4.71 114.28 113.89 1qe5 n THR 224 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1qe5 n THR 224 Cb 0.00 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.64 1qe5 n THR 224 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1qe5 h THR 225 N 0.00 1.28 -0.59 12.58 1.35 -1.96 0.46 112.91 126.02 1qe5 h THR 225 Ca 0.00 -1.37 -0.08 0.00 -0.55 0.00 0.00 66.41 64.41 1qe5 h THR 225 Cb 0.00 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 1qe5 h THR 225 CO 0.00 0.44 0.05 -0.07 -0.25 0.00 0.00 175.52 175.69 1qe5 h LEU 226 N 0.55 0.98 -0.48 3.87 3.38 -1.97 -1.79 115.31 119.86 1qe5 h LEU 226 Ca 0.07 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1qe5 h LEU 226 Cb 0.75 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1qe5 h LEU 226 CO 0.06 1.02 -0.13 -0.33 0.09 0.00 0.00 178.44 179.16 1qe5 h GLU 227 N 0.91 0.93 -0.59 1.13 5.08 -1.80 -0.85 114.58 119.40 1qe5 h GLU 227 Ca 0.17 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1qe5 h GLU 227 Cb 0.49 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1qe5 h GLU 227 CO 0.02 1.02 0.32 0.00 -1.00 0.00 0.00 179.01 179.38 1qe5 h ALA 228 N 0.88 1.47 -0.02 3.43 0.00 0.32 -0.56 119.26 124.78 1qe5 h ALA 228 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1qe5 h ALA 228 Cb 0.68 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qe5 h ALA 228 CO 0.05 0.44 -0.03 0.82 0.00 0.00 0.00 179.25 180.54 1qe5 h ILE 229 N 0.81 1.40 -0.09 0.00 2.04 -1.02 -1.71 117.51 118.95 1qe5 h ILE 229 Ca 0.21 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1qe5 h ILE 229 Cb 0.02 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1qe5 h ILE 229 CO -0.03 0.32 0.06 0.00 0.00 0.00 0.00 178.15 178.50 1qe5 h ALA 230 N 0.51 1.99 -0.15 1.87 0.00 -0.97 -1.46 119.26 121.05 1qe5 h ALA 230 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1qe5 h ALA 230 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qe5 h ALA 230 CO 0.01 -0.01 -0.49 0.00 0.00 0.00 0.00 179.25 178.76 1qe5 h ALA 231 N 1.95 0.27 -0.22 0.00 0.00 -0.77 -2.66 119.26 117.83 1qe5 h ALA 231 Ca 0.04 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1qe5 h ALA 231 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1qe5 h ALA 231 CO -0.00 0.44 -0.26 0.00 0.00 0.00 0.00 179.25 179.42 1qe5 h ARG 232 N 0.26 0.42 -0.07 0.00 2.47 -0.99 -1.04 114.38 115.43 1qe5 h ARG 232 Ca -0.02 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1qe5 h ARG 232 Cb 1.12 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1qe5 h ARG 232 CO 0.10 0.65 -0.12 1.25 0.56 0.00 0.00 179.97 182.42 1qe5 h HIS 233 N 0.37 0.11 -0.13 3.04 2.76 -1.20 -1.05 115.15 119.07 1qe5 h HIS 233 Ca 0.05 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1qe5 h HIS 233 Cb 0.66 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1qe5 h HIS 233 CO 0.02 0.23 0.00 0.00 -1.30 0.00 0.00 177.93 176.88 1qe5 n GLY 235 N 1.11 0.58 3.80 0.00 0.00 -0.40 -5.05 105.19 105.24 1qe5 n GLY 235 Ca 0.17 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1qe5 n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qe5 s LEU 236 N 0.00 4.19 0.13 0.99 1.02 -0.63 -4.99 118.68 119.39 1qe5 s LEU 236 Ca 0.00 1.72 -0.25 0.00 0.02 0.00 0.00 54.13 55.61 1qe5 s LEU 236 Cb 0.00 -4.15 -0.07 0.00 0.02 0.00 0.00 46.19 41.98 1qe5 s LEU 236 CO 0.00 -0.16 0.78 -1.61 0.02 0.00 0.00 176.35 175.38 1qe5 s GLU 237 N -2.47 4.56 -0.03 1.70 2.02 -0.47 -4.38 118.70 119.63 1qe5 s GLU 237 Ca 0.54 1.15 0.08 0.00 0.02 0.00 0.00 54.97 56.75 1qe5 s GLU 237 Cb -0.15 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1qe5 s GLU 237 CO 0.20 0.48 -0.26 0.08 0.02 0.00 0.00 175.26 175.77 1qe5 s VAL 238 N -0.79 2.05 -0.15 2.63 1.01 -1.26 -0.94 120.40 122.95 1qe5 s VAL 238 Ca 0.37 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1qe5 s VAL 238 Cb -0.22 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1qe5 s VAL 238 CO 0.26 0.58 -0.21 -0.22 0.00 0.00 0.00 175.10 175.50 1qe5 s LEU 239 N -0.53 2.09 -0.02 3.92 2.96 0.45 -2.16 118.68 125.39 1qe5 s LEU 239 Ca 0.08 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1qe5 s LEU 239 Cb -0.11 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1qe5 s LEU 239 CO -0.00 0.06 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.17 1qe5 s GLY 240 N 0.95 1.69 -0.04 7.98 0.00 -1.26 -0.77 107.32 115.86 1qe5 s GLY 240 Ca -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1qe5 s GLY 240 CO -0.05 -0.82 0.02 0.14 0.00 0.00 0.00 173.10 172.39 1qe5 s VAL 241 N -0.90 0.11 0.06 1.40 1.01 -0.30 -1.53 120.40 120.25 1qe5 s VAL 241 Ca 0.15 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1qe5 s VAL 241 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1qe5 s VAL 241 CO 0.05 0.17 0.08 -0.44 0.00 0.00 0.00 175.10 174.96 1qe5 s SER 242 N 1.55 5.55 -0.30 3.32 0.01 0.12 -2.34 113.70 121.61 1qe5 s SER 242 Ca -0.03 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 1qe5 s SER 242 Cb -0.13 -1.51 0.03 0.00 0.21 0.00 0.00 66.02 64.62 1qe5 s SER 242 CO -0.03 0.20 0.04 -0.22 0.41 0.00 0.00 173.24 173.64 1qe5 s LEU 243 N -2.21 3.84 -0.21 2.44 0.20 0.02 0.13 118.68 122.89 1qe5 s LEU 243 Ca 0.28 -0.95 -0.29 0.00 0.69 0.00 0.00 54.13 53.86 1qe5 s LEU 243 Cb -0.12 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 1qe5 s LEU 243 CO 0.20 -0.22 1.80 -0.69 -0.29 0.00 0.00 176.35 177.15 1qe5 s VAL 244 N 1.40 3.45 0.19 1.68 1.01 -0.28 -1.55 120.40 126.29 1qe5 s VAL 244 Ca -0.00 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1qe5 s VAL 244 Cb -0.18 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1qe5 s VAL 244 CO 0.00 -0.23 1.49 0.74 0.00 0.00 0.00 175.10 177.11 1qe5 h THR 245 N 6.39 1.33 0.00 3.92 2.02 -1.16 0.19 112.91 125.60 1qe5 h THR 245 Ca -0.37 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 64.96 1qe5 h THR 245 Cb 1.18 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1qe5 h THR 245 CO 0.99 0.57 0.00 -0.46 0.37 0.00 0.00 175.52 176.99 1qe5 n ASN 246 N -3.94 0.00 -4.77 4.18 6.94 -1.24 -4.66 115.26 111.77 1qe5 n ASN 246 Ca -0.03 0.00 -0.40 0.00 -0.02 0.00 0.00 54.58 54.13 1qe5 n ASN 246 Cb 0.62 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.01 1qe5 n ASN 246 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qe5 s LEU 247 N 0.00 4.39 0.73 -4.53 1.43 -1.26 -0.85 118.68 118.58 1qe5 s LEU 247 Ca 0.00 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1qe5 s LEU 247 Cb 0.00 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1qe5 s LEU 247 CO 0.00 -0.47 1.09 0.00 0.23 0.00 0.00 176.35 177.20 1qe5 s ALA 248 N -1.23 2.37 0.01 4.21 0.00 0.71 -4.68 121.76 123.15 1qe5 s ALA 248 Ca 0.50 0.35 -0.38 0.00 0.00 0.00 0.00 51.96 52.43 1qe5 s ALA 248 Cb -0.35 -3.28 -0.17 0.00 0.00 0.00 0.00 23.12 19.32 1qe5 s ALA 248 CO 0.45 -1.55 1.37 0.00 0.00 0.00 0.00 175.76 176.04 1qe5 n ALA 249 N -3.10 -1.20 -0.24 0.00 0.00 -1.26 -1.34 120.51 113.37 1qe5 n ALA 249 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1qe5 n ALA 249 Cb 0.53 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1qe5 n ALA 249 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qe5 n GLY 250 N 2.67 2.30 0.15 0.00 0.00 -1.26 -4.46 105.19 104.59 1qe5 n GLY 250 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1qe5 n GLY 250 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qe5 h ILE 251 N 0.00 1.28 -3.62 -0.61 1.08 -1.56 -3.44 117.51 110.64 1qe5 h ILE 251 Ca 0.00 -2.69 -0.62 0.00 -0.39 0.00 0.00 64.86 61.16 1qe5 h ILE 251 Cb 0.00 3.05 -0.13 0.00 -3.07 0.00 0.00 36.82 36.66 1qe5 h ILE 251 CO 0.00 0.81 -0.12 -0.55 -0.69 0.00 0.00 178.15 177.60 1qe5 s SER 252 N -7.58 6.37 0.23 1.72 0.15 -1.26 -4.94 113.70 108.38 1qe5 s SER 252 Ca -0.09 0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.92 1qe5 s SER 252 Cb 0.04 -2.25 0.19 0.00 -1.71 0.00 0.00 66.02 62.29 1qe5 s SER 252 CO 0.94 -0.22 1.83 -0.65 1.20 0.00 0.00 173.24 176.35 1qe5 h PRO 253 N 7.99 1.23 -4.06 5.44 0.11 -1.99 -3.34 132.00 137.38 1qe5 h PRO 253 Ca -0.31 -0.17 -0.70 0.00 0.11 0.00 0.00 66.00 64.93 1qe5 h PRO 253 Cb 1.15 -0.23 -0.34 0.00 0.11 0.00 0.00 31.00 31.69 1qe5 h PRO 253 CO 0.69 0.93 -0.42 0.95 -0.21 0.00 0.00 178.00 179.93 1qe5 s THR 254 N -5.76 3.70 0.13 -1.15 -4.23 -1.26 -5.09 115.64 101.97 1qe5 s THR 254 Ca -0.13 -2.41 -0.32 0.00 -1.18 0.00 0.00 61.69 57.65 1qe5 s THR 254 Cb 0.16 -3.45 -0.11 0.00 1.34 0.00 0.00 72.50 70.44 1qe5 s THR 254 CO 0.83 -0.80 1.79 -2.65 -0.54 0.00 0.00 174.62 173.26 1qe5 n PRO 255 N 4.15 2.67 -2.20 3.99 -0.02 -1.26 -4.99 135.00 137.35 1qe5 n PRO 255 Ca 0.02 0.97 -0.39 0.00 -2.02 0.00 0.00 63.50 62.07 1qe5 n PRO 255 Cb 0.40 -2.84 -0.02 0.00 -0.02 0.00 0.00 33.50 31.03 1qe5 n PRO 255 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qe5 s LEU 256 N 2.36 4.28 0.84 2.45 1.43 -1.26 -5.02 118.68 123.77 1qe5 s LEU 256 Ca 0.81 2.51 -0.12 0.00 -1.03 0.00 0.00 54.13 56.31 1qe5 s LEU 256 Cb -0.53 -3.87 0.10 0.00 0.03 0.00 0.00 46.19 41.92 1qe5 s LEU 256 CO 0.38 -0.65 1.10 -0.94 0.23 0.00 0.00 176.35 176.47 1qe5 s SER 257 N -0.85 4.06 0.11 2.29 1.04 -1.26 -4.81 113.70 114.28 1qe5 s SER 257 Ca 0.54 1.27 -0.21 0.00 0.48 0.00 0.00 55.95 58.03 1qe5 s SER 257 Cb -0.35 -1.96 -0.08 0.00 0.10 0.00 0.00 66.02 63.73 1qe5 s SER 257 CO 0.45 -2.24 1.72 -0.74 0.98 0.00 0.00 173.24 173.41 1qe5 h HIS 258 N -1.28 -0.05 -0.76 5.02 2.76 -2.00 -1.68 115.15 117.17 1qe5 h HIS 258 Ca -0.48 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 57.87 1qe5 h HIS 258 Cb 1.29 0.04 -0.12 0.00 1.55 0.00 0.00 27.41 30.16 1qe5 h HIS 258 CO 0.42 -0.04 0.11 0.00 -1.30 0.00 0.00 177.93 177.11 1qe5 h ALA 259 N 1.11 0.91 -0.22 5.26 0.00 -2.00 -0.10 119.26 124.22 1qe5 h ALA 259 Ca 0.06 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qe5 h ALA 259 Cb 0.08 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1qe5 h ALA 259 CO -0.11 -0.40 0.12 0.93 0.00 0.00 0.00 179.25 179.79 1qe5 h GLU 260 N 0.18 0.31 -0.30 0.00 5.08 -1.74 -1.46 114.58 116.65 1qe5 h GLU 260 Ca 0.43 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.78 1qe5 h GLU 260 Cb 0.76 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1qe5 h GLU 260 CO -0.59 0.29 0.11 0.28 -1.00 0.00 0.00 179.01 178.09 1qe5 h VAL 261 N 0.25 0.92 -0.87 3.13 2.07 -0.33 0.05 116.25 121.47 1qe5 h VAL 261 Ca 0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1qe5 h VAL 261 Cb 0.07 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1qe5 h VAL 261 CO -0.01 0.04 0.43 0.40 0.02 0.00 0.00 177.57 178.45 1qe5 h ILE 262 N 0.24 1.26 -0.24 4.57 2.04 -0.94 -2.12 117.51 122.32 1qe5 h ILE 262 Ca 0.14 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 1qe5 h ILE 262 Cb 0.10 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1qe5 h ILE 262 CO -0.14 0.31 -0.35 -0.08 0.00 0.00 0.00 178.15 177.89 1qe5 h GLU 263 N 1.23 0.52 -0.38 2.37 4.81 -0.87 -1.70 114.58 120.56 1qe5 h GLU 263 Ca 0.30 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1qe5 h GLU 263 Cb 0.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1qe5 h GLU 263 CO -0.04 0.80 -0.05 0.00 -0.73 0.00 0.00 179.01 178.99 1qe5 h ALA 264 N 1.18 1.21 -0.00 2.92 0.00 -0.64 -0.35 119.26 123.58 1qe5 h ALA 264 Ca 0.05 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1qe5 h ALA 264 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1qe5 h ALA 264 CO 0.07 0.52 -0.83 0.78 0.00 0.00 0.00 179.25 179.79 1qe5 h GLY 265 N 0.93 0.13 1.27 0.00 0.00 -0.93 -2.80 103.07 101.67 1qe5 h GLY 265 Ca 0.11 -0.23 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 1qe5 h GLY 265 CO 0.02 0.20 -0.89 1.46 0.00 0.00 0.00 176.54 177.34 1qe5 h GLN 266 N 0.07 0.69 -0.05 4.80 4.20 -1.05 -2.97 115.11 120.80 1qe5 h GLN 266 Ca -0.03 -0.64 0.01 0.00 0.06 0.00 0.00 58.65 58.06 1qe5 h GLN 266 Cb 1.44 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 1qe5 h GLN 266 CO 0.12 1.24 0.04 0.00 -0.67 0.00 0.00 178.83 179.56 1qe5 h ALA 267 N 0.55 1.94 0.00 3.87 0.00 -1.03 -1.27 119.26 123.31 1qe5 h ALA 267 Ca -0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1qe5 h ALA 267 Cb 1.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1qe5 h ALA 267 CO 0.17 -0.07 -0.58 0.00 0.00 0.00 0.00 179.25 178.78 1qe5 h ALA 268 N 1.97 0.65 -0.98 0.00 0.00 -1.36 -3.39 119.26 116.15 1qe5 h ALA 268 Ca 0.02 -0.53 0.14 0.00 0.00 0.00 0.00 54.91 54.54 1qe5 h ALA 268 Cb 0.10 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.65 1qe5 h ALA 268 CO -0.00 0.73 -0.44 0.78 0.00 0.00 0.00 179.25 180.32 1qe5 h GLY 269 N 3.26 -0.17 0.80 0.00 0.00 -1.08 -1.71 103.07 104.17 1qe5 h GLY 269 Ca -0.01 0.59 0.03 0.00 0.00 0.00 0.00 47.33 47.94 1qe5 h GLY 269 CO 0.08 -0.14 0.10 -0.56 0.00 0.00 0.00 176.54 176.01 1qe5 h PRO 270 N -0.01 0.21 -0.48 4.80 0.13 -1.77 -1.75 132.00 133.13 1qe5 h PRO 270 Ca 0.29 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.46 1qe5 h PRO 270 Cb 0.55 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1qe5 h PRO 270 CO -0.96 0.14 0.23 -0.09 -0.23 0.00 0.00 178.00 177.09 1qe5 h ARG 271 N 0.22 0.44 0.05 0.86 2.43 -1.58 -1.88 114.38 114.92 1qe5 h ARG 271 Ca 0.11 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1qe5 h ARG 271 Cb 0.07 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1qe5 h ARG 271 CO -0.11 0.29 -0.03 0.82 -1.51 0.00 0.00 179.97 179.44 1qe5 h ILE 272 N 0.46 1.09 -0.38 1.20 5.03 -1.28 -1.34 117.51 122.28 1qe5 h ILE 272 Ca 0.22 -0.47 -0.05 0.00 -0.12 0.00 0.00 64.86 64.43 1qe5 h ILE 272 Cb 0.14 1.40 -0.02 0.00 -3.03 0.00 0.00 36.82 35.31 1qe5 h ILE 272 CO -0.16 0.12 0.01 0.77 -0.68 0.00 0.00 178.15 178.20 1qe5 h SER 273 N -0.28 0.55 -0.54 1.72 4.64 -1.29 -1.59 113.55 116.77 1qe5 h SER 273 Ca -0.01 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1qe5 h SER 273 Cb 0.25 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1qe5 h SER 273 CO 0.01 0.62 -0.01 0.00 -0.87 0.00 0.00 176.83 176.58 1qe5 h ALA 274 N 1.45 0.72 0.09 5.18 0.00 -1.22 -2.18 119.26 123.31 1qe5 h ALA 274 Ca 0.12 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1qe5 h ALA 274 Cb 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1qe5 h ALA 274 CO 0.01 0.55 -0.30 1.25 0.00 0.00 0.00 179.25 180.77 1qe5 h LEU 275 N 0.83 -0.86 -0.83 0.00 5.85 -0.51 -0.70 115.31 119.09 1qe5 h LEU 275 Ca 0.15 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1qe5 h LEU 275 Cb 0.54 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1qe5 h LEU 275 CO 0.03 -0.38 0.33 -0.07 -0.34 0.00 0.00 178.44 178.01 1qe5 h LEU 276 N -0.50 1.09 -0.13 2.25 3.38 -1.29 0.06 115.31 120.18 1qe5 h LEU 276 Ca 0.04 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1qe5 h LEU 276 Cb 0.54 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1qe5 h LEU 276 CO -0.20 0.96 -0.01 0.00 0.09 0.00 0.00 178.44 179.28 1qe5 h ALA 277 N 1.19 0.10 -0.54 1.53 0.00 -1.24 0.25 119.26 120.56 1qe5 h ALA 277 Ca 0.27 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1qe5 h ALA 277 Cb 0.20 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1qe5 h ALA 277 CO -0.02 -0.46 0.00 -0.44 0.00 0.00 0.00 179.25 178.32 1qe5 h ASP 278 N 0.03 0.93 -0.19 0.00 3.32 -0.76 -3.10 116.42 116.64 1qe5 h ASP 278 Ca 0.06 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1qe5 h ASP 278 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1qe5 h ASP 278 CO -0.11 1.01 0.10 0.40 -1.72 0.00 0.00 179.24 178.91 1qe5 h ILE 279 N 0.83 1.13 -0.86 0.35 2.04 -0.66 -2.73 117.51 117.61 1qe5 h ILE 279 Ca 0.15 -0.37 0.25 0.00 1.00 0.00 0.00 64.86 65.89 1qe5 h ILE 279 Cb 0.53 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1qe5 h ILE 279 CO 0.03 0.12 0.74 0.00 0.00 0.00 0.00 178.15 179.04 1qe5 h ALA 280 N 0.96 2.72 -0.01 1.87 0.00 -0.44 0.99 119.26 125.35 1qe5 h ALA 280 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qe5 h ALA 280 Cb 0.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qe5 h ALA 280 CO -0.01 -1.18 -0.34 1.63 0.00 0.00 0.00 179.25 179.35 1qe5 n LYS 281 N -3.89 0.77 -0.97 0.00 5.02 -1.04 -5.04 118.16 113.00 1qe5 n LYS 281 Ca 0.18 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1qe5 n LYS 281 Cb 1.03 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1qe5 n LYS 281 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42