#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqm n SER 4 N 0.00 -2.28 0.00 1.62 7.64 -1.26 -5.02 113.62 114.32 1hqm n SER 4 Ca 0.00 -3.51 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1hqm n SER 4 Cb 0.00 1.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 1hqm n SER 4 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1hqm n LYS 5 N 0.20 0.00 0.00 1.43 4.01 -1.26 -4.82 118.16 117.72 1hqm n LYS 5 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1hqm n LYS 5 Cb 0.72 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.24 1hqm n LYS 5 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1hqm n LEU 6 N 0.00 0.00 -2.62 -0.35 4.77 -1.26 -2.15 117.00 115.39 1hqm n LEU 6 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1hqm n LEU 6 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1hqm n LEU 6 CO 0.00 0.00 1.52 0.29 -1.33 0.00 0.00 177.39 177.87 1hqm n LYS 7 N 11.71 2.57 -2.82 3.23 5.02 -1.26 -4.67 118.16 131.94 1hqm n LYS 7 Ca 0.00 -3.01 -0.02 0.00 -2.02 0.00 0.00 58.31 53.26 1hqm n LYS 7 Cb 0.00 -2.19 0.01 0.00 -0.02 0.00 0.00 35.03 32.84 1hqm n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqm s ALA 8 N -3.23 -3.25 1.00 7.82 0.00 -0.91 -5.16 121.76 118.02 1hqm s ALA 8 Ca 0.54 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 1hqm s ALA 8 Cb 0.42 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 1hqm s ALA 8 CO -0.26 -2.36 -0.33 -0.35 0.00 0.00 0.00 175.76 172.46 1hqm n PRO 9 N 3.25 -0.35 -3.53 0.00 -0.04 -1.26 -4.84 135.00 128.23 1hqm n PRO 9 Ca 0.13 -0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1hqm n PRO 9 Cb 0.60 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1hqm n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hqm s VAL 10 N -2.18 4.32 -0.20 0.52 1.01 -1.26 -4.82 120.40 117.78 1hqm s VAL 10 Ca 0.48 -1.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1hqm s VAL 10 Cb -0.15 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1hqm s VAL 10 CO 0.72 -0.75 1.26 0.12 0.00 0.00 0.00 175.10 176.46 1hqm s PHE 11 N 1.39 2.83 -0.09 5.22 5.36 -1.26 -2.71 117.98 128.72 1hqm s PHE 11 Ca 0.05 0.99 0.01 0.00 -0.96 0.00 0.00 56.93 57.02 1hqm s PHE 11 Cb -0.26 -3.59 0.02 0.00 -0.34 0.00 0.00 43.02 38.85 1hqm s PHE 11 CO 0.00 -1.65 -0.09 0.99 -1.46 0.00 0.00 175.22 173.01 1hqm s THR 12 N 3.71 0.99 0.00 0.12 2.01 -1.12 -4.90 115.64 116.45 1hqm s THR 12 Ca 0.55 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1hqm s THR 12 Cb -0.20 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1hqm s THR 12 CO 0.16 0.35 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 1hqm n ALA 13 N 4.50 0.00 0.00 7.40 0.00 -1.26 0.21 120.51 131.36 1hqm n ALA 13 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1hqm n ALA 13 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1hqm n ALA 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1hqm n THR 14 N -1.09 0.00 -1.09 0.00 -1.04 0.21 -4.77 114.28 106.50 1hqm n THR 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1hqm n THR 14 Cb 0.00 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1hqm n THR 14 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1hqm n THR 15 N -0.39 -0.02 -0.09 12.58 -2.24 -1.26 -4.78 114.28 118.07 1hqm n THR 15 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1hqm n THR 15 Cb 0.02 -0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 67.27 1hqm n THR 15 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1hqm n GLN 16 N 1.77 0.71 0.00 -0.78 -0.06 -1.17 -4.99 117.38 112.86 1hqm n GLN 16 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1hqm n GLN 16 Cb 0.00 -1.52 0.00 0.00 -4.06 0.00 0.00 30.24 24.66 1hqm n GLN 16 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hqm n GLY 17 N 1.72 1.24 0.00 1.69 0.00 -1.26 -4.89 105.19 103.69 1hqm n GLY 17 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1hqm n GLY 17 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hqm n ASP 18 N 0.00 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 117.61 1hqm n ASP 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1hqm n ASP 18 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1hqm n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hqm n HIS 19 N 0.00 0.00 0.00 2.11 1.44 -1.22 -3.99 115.22 113.56 1hqm n HIS 19 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1hqm n HIS 19 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1hqm n HIS 19 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1hqm n TYR 20 N 0.00 0.00 -3.39 -1.40 -0.00 -1.20 -4.27 117.16 106.91 1hqm n TYR 20 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.71 1hqm n TYR 20 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.25 1hqm n TYR 20 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1hqm s GLY 21 N 0.00 0.13 0.13 2.98 0.00 -1.20 -3.07 107.32 106.28 1hqm s GLY 21 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 44.72 43.35 1hqm s GLY 21 CO 0.00 2.60 1.78 1.18 0.00 0.00 0.00 173.10 178.66 1hqm n GLU 22 N 4.37 2.64 -5.15 2.90 1.02 -1.26 -4.29 120.64 120.87 1hqm n GLU 22 Ca 0.09 0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 57.87 1hqm n GLU 22 Cb 0.44 -2.82 -0.15 0.00 -0.02 0.00 0.00 31.44 28.88 1hqm n GLU 22 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1hqm s PHE 23 N 2.25 2.51 -0.39 -0.32 2.99 -0.09 0.66 117.98 125.58 1hqm s PHE 23 Ca 0.81 -0.56 0.04 0.00 0.00 0.00 0.00 56.93 57.23 1hqm s PHE 23 Cb -0.53 -1.61 0.16 0.00 0.00 0.00 0.00 43.02 41.03 1hqm s PHE 23 CO 0.38 -0.11 0.43 0.08 -0.00 0.00 0.00 175.22 176.00 1hqm s VAL 24 N -0.30 -0.44 0.74 -0.44 1.01 0.56 0.18 120.40 121.71 1hqm s VAL 24 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1hqm s VAL 24 Cb -0.13 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.74 1hqm s VAL 24 CO 0.02 -0.49 1.09 -1.48 0.00 0.00 0.00 175.10 174.24 1hqm s LEU 25 N 1.39 3.13 0.00 3.92 0.05 -1.25 -2.81 118.68 123.10 1hqm s LEU 25 Ca 0.18 1.83 0.00 0.00 0.05 0.00 0.00 54.13 56.19 1hqm s LEU 25 Cb -0.12 -4.52 0.00 0.00 -2.05 0.00 0.00 46.19 39.50 1hqm s LEU 25 CO -0.04 -1.86 0.00 -0.62 -0.55 0.00 0.00 176.35 173.28 1hqm n GLU 26 N -3.22 0.00 -1.71 1.48 -0.58 -1.10 -4.09 120.64 111.42 1hqm n GLU 26 Ca 0.09 0.00 -0.66 0.00 -0.42 0.00 0.00 57.16 56.17 1hqm n GLU 26 Cb 0.53 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.30 1hqm n GLU 26 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1hqm n PRO 27 N 0.00 0.06 -3.78 3.49 -0.02 -1.26 -4.57 135.00 128.92 1hqm n PRO 27 Ca 0.00 0.02 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 1hqm n PRO 27 Cb 0.00 -1.53 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 1hqm n PRO 27 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hqm s LEU 28 N 2.60 0.99 0.33 2.45 1.43 -1.10 -4.36 118.68 121.02 1hqm s LEU 28 Ca 1.03 0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 54.33 1hqm s LEU 28 Cb -1.44 0.75 -0.14 0.00 0.03 0.00 0.00 46.19 45.38 1hqm s LEU 28 CO 0.78 -0.10 0.72 1.21 0.23 0.00 0.00 176.35 179.19 1hqm n GLU 29 N 3.24 0.76 -1.65 1.70 4.07 -1.26 -1.89 120.64 125.61 1hqm n GLU 29 Ca -0.16 0.27 -0.47 0.00 -0.06 0.00 0.00 57.16 56.75 1hqm n GLU 29 Cb 0.57 -1.54 -0.04 0.00 -0.06 0.00 0.00 31.44 30.37 1hqm n GLU 29 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1hqm n ARG 30 N 0.71 2.21 0.00 5.31 1.85 -1.26 -3.33 116.66 122.15 1hqm n ARG 30 Ca 0.12 0.79 0.00 0.00 -1.00 0.00 0.00 57.85 57.76 1hqm n ARG 30 Cb 0.34 -2.75 0.00 0.00 -1.05 0.00 0.00 32.46 28.99 1hqm n ARG 30 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1hqm n GLY 31 N 4.72 0.70 0.00 2.89 0.00 -1.26 -4.96 105.19 107.28 1hqm n GLY 31 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.29 1hqm n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hqm n PHE 32 N 0.00 0.00 -0.16 1.61 3.72 -1.21 -3.51 117.46 117.91 1hqm n PHE 32 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1hqm n PHE 32 Cb 0.00 -0.11 0.06 0.00 -0.94 0.00 0.00 39.48 38.50 1hqm n PHE 32 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1hqm h GLY 33 N 1.22 0.57 0.22 1.37 0.00 -1.93 -0.65 103.07 103.87 1hqm h GLY 33 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1hqm h GLY 33 CO 0.00 -0.10 -0.11 -2.08 0.00 0.00 0.00 176.54 174.25 1hqm h VAL 34 N 0.18 0.00 0.00 4.60 2.07 -1.95 0.14 116.25 121.29 1hqm h VAL 34 Ca 0.25 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1hqm h VAL 34 Cb 0.36 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1hqm h VAL 34 CO -0.36 0.00 0.00 0.41 0.02 0.00 0.00 177.57 177.64 1hqm n THR 35 N -3.88 0.00 0.03 2.57 -1.04 -1.09 -2.37 114.28 108.51 1hqm n THR 35 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1hqm n THR 35 Cb 0.12 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1hqm n THR 35 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1hqm n LEU 36 N 0.97 -0.56 0.00 -4.42 -0.00 -0.27 -4.87 117.00 107.84 1hqm n LEU 36 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1hqm n LEU 36 Cb 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 43.42 44.30 1hqm n LEU 36 CO 0.00 -0.31 0.36 0.61 -0.00 0.00 0.00 177.39 178.05 1hqm n GLY 37 N -1.49 -0.20 0.07 -3.96 0.00 0.49 -2.73 105.19 97.36 1hqm n GLY 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1hqm n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hqm n ASN 38 N -1.15 1.76 -0.37 1.61 2.85 -1.00 -3.85 115.26 115.12 1hqm n ASN 38 Ca 0.00 0.55 0.29 0.00 -0.11 0.00 0.00 54.58 55.30 1hqm n ASN 38 Cb 0.07 -0.83 0.56 0.00 1.24 0.00 0.00 39.78 40.83 1hqm n ASN 38 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1hqm h PRO 39 N -0.96 0.25 0.65 1.20 0.11 -1.75 0.12 132.00 131.62 1hqm h PRO 39 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1hqm h PRO 39 Cb 0.60 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.66 1hqm h PRO 39 CO 0.00 0.17 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.57 1hqm h LEU 40 N 0.26 -0.74 -1.67 2.35 -0.00 -1.78 0.14 115.31 113.87 1hqm h LEU 40 Ca 0.70 -0.01 0.18 0.00 -0.00 0.00 0.00 57.88 58.74 1hqm h LEU 40 Cb 1.96 0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 42.78 1hqm h LEU 40 CO -0.37 -0.38 0.71 -0.09 -0.00 0.00 0.00 178.44 178.30 1hqm h ARG 41 N -1.12 0.00 0.00 1.13 1.12 -0.97 2.02 114.38 116.57 1hqm h ARG 41 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1hqm h ARG 41 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.67 1hqm h ARG 41 CO 0.15 0.00 0.00 -2.13 -3.11 0.00 0.00 179.97 174.88 1hqm n ARG 42 N -3.53 0.00 -0.33 0.20 0.63 -0.05 -3.04 116.66 110.54 1hqm n ARG 42 Ca 0.13 0.21 0.23 0.00 -0.92 0.00 0.00 57.85 57.50 1hqm n ARG 42 Cb 0.93 -0.76 0.46 0.00 0.45 0.00 0.00 32.46 33.54 1hqm n ARG 42 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1hqm h ILE 43 N 0.00 0.26 -0.83 5.15 2.04 0.07 1.06 117.51 125.26 1hqm h ILE 43 Ca 0.00 -0.09 0.18 0.00 1.00 0.00 0.00 64.86 65.95 1hqm h ILE 43 Cb 0.00 -0.03 -0.11 0.00 -0.74 0.00 0.00 36.82 35.94 1hqm h ILE 43 CO 0.00 0.05 0.32 -0.07 0.00 0.00 0.00 178.15 178.44 1hqm h LEU 44 N 0.26 0.24 -0.07 1.44 4.07 0.31 0.40 115.31 121.96 1hqm h LEU 44 Ca 0.73 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.83 1hqm h LEU 44 Cb 1.67 0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.55 1hqm h LEU 44 CO -0.64 0.02 0.00 0.18 -1.08 0.00 0.00 178.44 176.92 1hqm n LEU 45 N -5.06 0.26 0.00 1.67 4.77 0.36 -4.73 117.00 114.27 1hqm n LEU 45 Ca 0.18 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1hqm n LEU 45 Cb 0.54 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1hqm n LEU 45 CO 0.14 -0.15 0.00 -1.20 -1.33 0.00 0.00 177.39 174.85 1hqm n SER 46 N -1.75 0.00 -0.60 -1.43 7.64 0.14 -4.96 113.62 112.66 1hqm n SER 46 Ca 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.92 1hqm n SER 46 Cb 0.32 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.51 1hqm n SER 46 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1hqm n SER 47 N 0.00 -0.26 -3.55 6.43 7.64 -1.16 -4.68 113.62 118.03 1hqm n SER 47 Ca 0.00 -0.16 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 1hqm n SER 47 Cb 0.00 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 1hqm n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1hqm s ILE 48 N 0.00 -0.79 -0.04 0.44 -1.09 -1.26 -4.82 121.20 113.63 1hqm s ILE 48 Ca 0.06 0.07 -0.37 0.00 -2.23 0.00 0.00 60.65 58.18 1hqm s ILE 48 Cb -0.04 -0.83 -0.15 0.00 -1.58 0.00 0.00 42.46 39.86 1hqm s ILE 48 CO 0.03 0.01 1.62 -0.81 -1.23 0.00 0.00 174.94 174.56 1hqm n PRO 49 N 5.41 1.58 -4.21 2.79 -0.04 -1.26 -4.39 135.00 134.87 1hqm n PRO 49 Ca -0.08 0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1hqm n PRO 49 Cb 0.50 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 1hqm n PRO 49 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1hqm s GLY 50 N 2.22 1.47 -0.17 0.55 0.00 0.22 -4.52 107.32 107.09 1hqm s GLY 50 Ca 0.89 -1.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.85 1hqm s GLY 50 CO 0.51 -1.42 0.22 -0.51 0.00 0.00 0.00 173.10 171.90 1hqm s THR 51 N -4.12 -0.33 -0.03 0.90 -4.23 -1.26 -2.63 115.64 103.94 1hqm s THR 51 Ca 0.39 0.05 -0.18 0.00 -1.18 0.00 0.00 61.69 60.77 1hqm s THR 51 Cb 0.07 -0.56 0.03 0.00 1.34 0.00 0.00 72.50 73.38 1hqm s THR 51 CO 0.12 -0.08 0.39 0.00 -0.54 0.00 0.00 174.62 174.51 1hqm s ALA 52 N 2.34 -0.99 0.67 3.99 0.00 -1.25 -4.38 121.76 122.13 1hqm s ALA 52 Ca 0.05 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 1hqm s ALA 52 Cb -0.14 -0.00 -0.14 0.00 0.00 0.00 0.00 23.12 22.84 1hqm s ALA 52 CO -0.10 -0.28 -0.40 0.28 0.00 0.00 0.00 175.76 175.26 1hqm n VAL 53 N 1.34 0.00 -0.40 0.00 0.31 -1.26 -3.07 118.33 115.25 1hqm n VAL 53 Ca -0.20 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1hqm n VAL 53 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1hqm n VAL 53 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1hqm n THR 54 N -1.79 0.00 -3.63 2.52 5.66 -1.25 -4.66 114.28 111.13 1hqm n THR 54 Ca 0.03 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.92 1hqm n THR 54 Cb 0.47 0.43 -0.07 0.00 -1.55 0.00 0.00 70.33 69.61 1hqm n THR 54 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1hqm s SER 55 N 0.00 -0.67 -0.06 1.09 0.15 -1.26 -1.89 113.70 111.06 1hqm s SER 55 Ca 0.00 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.91 1hqm s SER 55 Cb 0.00 1.27 0.02 0.00 -1.71 0.00 0.00 66.02 65.60 1hqm s SER 55 CO 0.00 -0.21 -0.06 -0.69 1.20 0.00 0.00 173.24 173.48 1hqm s VAL 56 N 0.51 0.70 -0.20 4.45 1.01 0.28 -1.69 120.40 125.46 1hqm s VAL 56 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1hqm s VAL 56 Cb -0.05 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1hqm s VAL 56 CO -0.04 0.27 0.02 -0.47 0.00 0.00 0.00 175.10 174.88 1hqm s TYR 57 N 1.11 3.07 -0.39 5.22 6.04 -1.26 -3.39 117.35 127.75 1hqm s TYR 57 Ca -0.08 -0.39 0.09 0.00 0.04 0.00 0.00 57.07 56.74 1hqm s TYR 57 Cb -0.14 -2.10 0.28 0.00 -1.04 0.00 0.00 41.96 38.96 1hqm s TYR 57 CO -0.01 -0.21 0.60 -0.89 -1.54 0.00 0.00 175.55 173.51 1hqm n ILE 58 N 4.24 -0.37 -0.36 3.14 5.41 -1.26 0.18 119.36 130.34 1hqm n ILE 58 Ca -0.17 -4.27 0.00 0.00 1.00 0.00 0.00 62.75 59.32 1hqm n ILE 58 Cb 0.52 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 1hqm n ILE 58 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1hqm n GLU 59 N 0.99 0.00 0.00 0.38 4.07 -1.01 -4.67 120.64 120.40 1hqm n GLU 59 Ca 0.23 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1hqm n GLU 59 Cb 0.57 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 1hqm n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1hqm n ASP 60 N 1.30 0.00 -0.26 4.31 8.00 -1.26 -4.87 116.55 123.77 1hqm n ASP 60 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1hqm n ASP 60 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1hqm n ASP 60 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1hqm n VAL 61 N -0.08 0.00 0.00 2.53 0.31 -1.26 -4.95 118.33 114.88 1hqm n VAL 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hqm n VAL 61 Cb 0.00 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1hqm n VAL 61 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1hqm n LEU 62 N 1.55 0.00 0.00 7.52 4.77 -1.26 -4.85 117.00 124.72 1hqm n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1hqm n LEU 62 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1hqm n LEU 62 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.47 1hqm n HIS 63 N 0.00 0.00 0.26 -1.77 8.25 -1.26 -4.69 115.22 116.01 1hqm n HIS 63 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1hqm n HIS 63 Cb 0.00 0.00 0.63 0.00 1.12 0.00 0.00 29.99 31.74 1hqm n HIS 63 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1hqm h GLU 64 N 0.00 0.00 -5.30 -0.41 4.81 -1.93 -3.40 114.58 108.34 1hqm h GLU 64 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 1hqm h GLU 64 Cb 0.00 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.23 1hqm h GLU 64 CO 0.00 0.00 0.03 -0.59 -0.73 0.00 0.00 179.01 177.72 1hqm s PHE 65 N -3.55 3.13 -3.77 0.92 -0.12 -1.26 -4.05 117.98 109.28 1hqm s PHE 65 Ca -0.01 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 1hqm s PHE 65 Cb 0.08 -3.11 0.00 0.00 -0.63 0.00 0.00 43.02 39.36 1hqm s PHE 65 CO 0.30 -0.69 0.00 0.45 -0.05 0.00 0.00 175.22 175.22 1hqm n SER 66 N 5.97 0.00 -3.56 1.98 2.88 -1.26 -5.04 113.62 114.59 1hqm n SER 66 Ca -0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 1hqm n SER 66 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 1hqm n SER 66 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1hqm s THR 67 N -3.00 0.04 -0.00 2.46 2.01 -1.26 -3.81 115.64 112.08 1hqm s THR 67 Ca 0.00 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1hqm s THR 67 Cb 0.00 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1hqm s THR 67 CO 0.00 -0.20 -0.17 -0.63 -0.69 0.00 0.00 174.62 172.93 1hqm s ILE 68 N -3.66 1.32 0.47 1.82 1.09 -1.26 -4.99 121.20 115.99 1hqm s ILE 68 Ca 0.02 -0.78 -0.21 0.00 -1.10 0.00 0.00 60.65 58.58 1hqm s ILE 68 Cb 0.01 -1.11 -0.09 0.00 -1.06 0.00 0.00 42.46 40.20 1hqm s ILE 68 CO -0.11 0.32 1.02 -2.84 -0.10 0.00 0.00 174.94 173.23 1hqm s PRO 69 N -0.54 3.89 -0.71 2.79 0.02 -1.26 -3.83 135.00 135.36 1hqm s PRO 69 Ca 0.06 1.32 -0.03 0.00 0.02 0.00 0.00 61.00 62.37 1hqm s PRO 69 Cb -0.07 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1hqm s PRO 69 CO -0.00 -0.35 0.61 0.41 -0.33 0.00 0.00 177.00 177.34 1hqm n GLY 70 N -0.30 0.09 3.15 0.52 0.00 -1.26 -4.76 105.19 102.63 1hqm n GLY 70 Ca 0.09 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1hqm n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqm s VAL 71 N -3.18 -0.92 0.59 1.61 1.01 -1.25 -3.71 120.40 114.55 1hqm s VAL 71 Ca 0.21 0.00 0.29 0.00 0.00 0.00 0.00 61.98 62.48 1hqm s VAL 71 Cb -0.09 -0.96 0.39 0.00 0.00 0.00 0.00 36.38 35.72 1hqm s VAL 71 CO 0.40 0.00 1.84 0.50 0.00 0.00 0.00 175.10 177.84 1hqm h LYS 72 N 7.96 0.00 0.00 2.72 3.64 0.21 -3.43 116.57 127.67 1hqm h LYS 72 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1hqm h LYS 72 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1hqm h LYS 72 CO 0.17 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.74 1hqm n GLU 73 N -3.71 2.52 -4.25 1.90 4.71 -1.25 -5.00 120.64 115.55 1hqm n GLU 73 Ca 0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.11 1hqm n GLU 73 Cb 0.78 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 31.12 1hqm n GLU 73 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1hqm s ASP 74 N -1.00 0.79 0.00 1.62 -4.77 -1.26 -4.66 116.67 107.39 1hqm s ASP 74 Ca 0.00 -1.48 0.00 0.00 -3.30 0.00 0.00 52.55 47.77 1hqm s ASP 74 Cb 0.00 0.38 0.00 0.00 -1.09 0.00 0.00 42.92 42.21 1hqm s ASP 74 CO 0.00 -0.87 0.78 0.52 0.70 0.00 0.00 175.17 176.29 1hqm n VAL 75 N -0.41 0.00 -0.42 2.11 0.31 -1.25 -2.77 118.33 115.90 1hqm n VAL 75 Ca 0.03 1.28 0.34 0.00 -0.01 0.00 0.00 64.34 65.97 1hqm n VAL 75 Cb 0.65 -1.94 0.64 0.00 -0.91 0.00 0.00 33.84 32.28 1hqm n VAL 75 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1hqm h VAL 76 N 0.00 0.25 -0.77 2.52 2.07 -1.89 0.57 116.25 119.00 1hqm h VAL 76 Ca 0.00 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1hqm h VAL 76 Cb 0.00 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1hqm h VAL 76 CO 0.00 0.03 0.29 -0.08 0.02 0.00 0.00 177.57 177.82 1hqm h GLU 77 N 0.15 1.17 0.18 1.57 4.57 -1.91 0.30 114.58 120.61 1hqm h GLU 77 Ca 0.74 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.69 1hqm h GLU 77 Cb 2.35 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.76 1hqm h GLU 77 CO -0.30 0.96 -0.09 0.82 -1.18 0.00 0.00 179.01 179.22 1hqm h ILE 78 N 1.13 0.93 -0.86 2.32 5.03 -0.90 0.40 117.51 125.57 1hqm h ILE 78 Ca 0.26 -0.66 0.09 0.00 -0.12 0.00 0.00 64.86 64.43 1hqm h ILE 78 Cb 0.25 1.32 -0.11 0.00 -3.03 0.00 0.00 36.82 35.24 1hqm h ILE 78 CO -0.02 0.15 -0.46 -0.38 -0.68 0.00 0.00 178.15 176.76 1hqm n ILE 79 N -5.05 -0.55 -0.01 -0.67 2.08 -0.63 0.21 119.36 114.73 1hqm n ILE 79 Ca -0.09 2.07 -0.16 0.00 0.56 0.00 0.00 62.75 65.13 1hqm n ILE 79 Cb 0.23 -2.61 -0.11 0.00 -0.75 0.00 0.00 39.64 36.40 1hqm n ILE 79 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1hqm h LEU 80 N 0.00 0.42 -1.87 1.39 3.38 -0.45 -2.92 115.31 115.27 1hqm h LEU 80 Ca 0.19 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1hqm h LEU 80 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1hqm h LEU 80 CO -0.82 1.09 0.33 -1.13 0.09 0.00 0.00 178.44 178.00 1hqm h ASN 81 N -0.21 0.00 0.00 -0.43 -0.73 0.19 0.65 115.58 115.06 1hqm h ASN 81 Ca -0.05 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.12 1hqm h ASN 81 Cb 1.14 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.73 1hqm h ASN 81 CO 0.09 0.00 -0.02 0.25 -0.37 0.00 0.00 177.43 177.38 1hqm h LEU 82 N 0.00 0.00 -1.29 0.34 5.85 0.26 -3.31 115.31 117.15 1hqm h LEU 82 Ca 0.00 -0.98 0.15 0.00 0.84 0.00 0.00 57.88 57.89 1hqm h LEU 82 Cb 0.67 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1hqm h LEU 82 CO 0.00 1.00 0.82 0.11 -0.34 0.00 0.00 178.44 180.03 1hqm h LYS 83 N -1.00 0.00 -1.10 1.25 1.57 0.50 0.33 116.57 118.12 1hqm h LYS 83 Ca -0.01 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.41 1hqm h LYS 83 Cb 0.99 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.11 1hqm h LYS 83 CO -0.00 0.00 0.46 0.39 -0.57 0.00 0.00 179.45 179.73 1hqm n GLU 84 N -3.20 1.88 -3.78 3.15 1.02 -1.13 -4.90 120.64 113.68 1hqm n GLU 84 Ca 0.11 -1.97 -0.37 0.00 -0.02 0.00 0.00 57.16 54.91 1hqm n GLU 84 Cb 1.00 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 1hqm n GLU 84 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1hqm s LEU 85 N -2.20 4.40 -0.31 -4.62 2.96 0.12 -4.99 118.68 114.04 1hqm s LEU 85 Ca 0.38 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 1hqm s LEU 85 Cb 0.31 -2.30 0.09 0.00 0.50 0.00 0.00 46.19 44.79 1hqm s LEU 85 CO 0.05 0.36 0.03 -0.69 -1.32 0.00 0.00 176.35 174.78 1hqm s VAL 86 N -1.10 1.79 0.36 1.68 1.01 -1.26 -4.83 120.40 118.06 1hqm s VAL 86 Ca 0.19 -1.85 0.04 0.00 0.00 0.00 0.00 61.98 60.36 1hqm s VAL 86 Cb -0.13 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1hqm s VAL 86 CO 0.09 -0.48 0.52 0.54 0.00 0.00 0.00 175.10 175.77 1hqm s VAL 87 N 1.18 4.34 -0.31 2.92 0.11 -1.26 -0.74 120.40 126.64 1hqm s VAL 87 Ca 0.06 -0.78 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1hqm s VAL 87 Cb -0.19 -3.55 0.13 0.00 -1.53 0.00 0.00 36.38 31.25 1hqm s VAL 87 CO -0.12 -0.28 0.27 -0.60 -3.33 0.00 0.00 175.10 171.05 1hqm s ARG 88 N -4.28 0.37 -1.54 1.54 3.52 0.03 -4.67 118.95 113.93 1hqm s ARG 88 Ca 0.44 -0.44 -0.11 0.00 -0.13 0.00 0.00 55.73 55.48 1hqm s ARG 88 Cb -0.10 -0.81 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 1hqm s ARG 88 CO 0.33 -1.07 2.67 1.97 -0.81 0.00 0.00 175.30 178.39 1hqm n PHE 89 N 5.01 2.78 0.00 5.12 -0.00 -1.26 -2.46 117.46 126.64 1hqm n PHE 89 Ca 0.01 -3.01 0.00 0.00 -0.00 0.00 0.00 57.45 54.45 1hqm n PHE 89 Cb 0.45 -2.49 0.00 0.00 -0.00 0.00 0.00 39.48 37.44 1hqm n PHE 89 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1hqm n LEU 90 N 4.54 0.00 0.00 5.98 4.77 -1.24 -4.00 117.00 127.06 1hqm n LEU 90 Ca 0.68 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1hqm n LEU 90 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1hqm n LEU 90 CO 0.87 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.40 1hqm n ASP 91 N 1.49 0.00 0.00 -1.43 8.00 -1.26 -5.11 116.55 118.24 1hqm n ASP 91 Ca 0.00 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1hqm n ASP 91 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1hqm n ASP 91 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1hqm n PRO 92 N 0.00 0.00 0.00 -0.24 -0.04 -1.26 -4.94 135.00 128.52 1hqm n PRO 92 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1hqm n PRO 92 Cb 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 1hqm n PRO 92 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1hqm n ARG 93 N 0.00 2.01 0.00 0.54 0.63 -1.26 -5.15 116.66 113.44 1hqm n ARG 93 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1hqm n ARG 93 Cb 0.00 -0.70 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1hqm n ARG 93 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1hqm n TRP 94 N -0.99 0.00 0.00 -0.14 -0.00 -1.26 -5.02 117.44 110.03 1hqm n TRP 94 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1hqm n TRP 94 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 1hqm n TRP 94 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 177.69 180.58 1hqm n ARG 95 N 0.00 0.00 -0.91 5.87 -4.01 -1.26 -4.90 116.66 111.46 1hqm n ARG 95 Ca 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1hqm n ARG 95 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1hqm n ARG 95 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 1hqm n THR 96 N 0.00 0.00 -3.48 8.89 -2.24 -1.26 -4.90 114.28 111.29 1hqm n THR 96 Ca 0.00 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1hqm n THR 96 Cb 0.00 -1.11 0.01 0.00 -2.10 0.00 0.00 70.33 67.13 1hqm n THR 96 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1hqm n THR 97 N -1.13 0.00 -3.57 4.28 -1.04 -1.26 -2.28 114.28 109.28 1hqm n THR 97 Ca 0.00 -0.81 -0.14 0.00 -2.04 0.00 0.00 64.05 61.06 1hqm n THR 97 Cb 0.01 -0.45 -0.05 0.00 -1.82 0.00 0.00 70.33 68.02 1hqm n THR 97 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1hqm s LEU 98 N 0.00 -0.09 -0.04 -4.42 1.43 0.75 -4.87 118.68 111.44 1hqm s LEU 98 Ca 0.15 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1hqm s LEU 98 Cb -0.01 2.14 0.03 0.00 0.03 0.00 0.00 46.19 48.39 1hqm s LEU 98 CO 0.09 -0.73 0.08 -0.63 0.23 0.00 0.00 176.35 175.40 1hqm s ILE 99 N -2.48 -0.08 -0.05 -0.59 1.01 -1.25 -0.43 121.20 117.33 1hqm s ILE 99 Ca -0.05 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.79 1hqm s ILE 99 Cb -0.01 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 1hqm s ILE 99 CO -0.02 0.10 0.19 -0.22 0.00 0.00 0.00 174.94 174.99 1hqm s LEU 100 N 1.36 4.38 -0.65 2.97 2.96 -0.07 0.17 118.68 129.79 1hqm s LEU 100 Ca -0.06 0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1hqm s LEU 100 Cb -0.12 -2.42 0.17 0.00 0.50 0.00 0.00 46.19 44.32 1hqm s LEU 100 CO -0.04 0.32 0.52 0.00 -1.32 0.00 0.00 176.35 175.82 1hqm s ARG 101 N -1.54 2.85 -0.11 1.98 1.70 0.25 -3.91 118.95 120.16 1hqm s ARG 101 Ca 0.23 -2.37 -0.28 0.00 -0.47 0.00 0.00 55.73 52.84 1hqm s ARG 101 Cb -0.13 -3.97 -0.02 0.00 -0.57 0.00 0.00 34.95 30.27 1hqm s ARG 101 CO 0.13 -1.21 0.91 0.00 -1.08 0.00 0.00 175.30 174.05 1hqm s ALA 102 N 0.27 3.40 0.08 7.88 0.00 -1.21 -4.98 121.76 127.21 1hqm s ALA 102 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1hqm s ALA 102 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1hqm s ALA 102 CO -0.05 -0.51 0.00 0.39 0.00 0.00 0.00 175.76 175.59 1hqm n GLU 103 N 4.79 3.71 0.00 0.00 1.02 -1.26 -4.68 120.64 124.22 1hqm n GLU 103 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1hqm n GLU 103 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1hqm n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hqm n GLY 104 N 5.00 0.50 3.57 0.62 0.00 -1.26 -3.18 105.19 110.44 1hqm n GLY 104 Ca 0.00 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 1hqm n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hqm s PRO 105 N 0.00 3.33 0.33 1.61 0.04 -1.19 -4.21 135.00 134.91 1hqm s PRO 105 Ca 0.00 -1.19 -0.04 0.00 0.04 0.00 0.00 61.00 59.82 1hqm s PRO 105 Cb 0.00 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1hqm s PRO 105 CO 0.00 -2.71 0.46 0.15 0.04 0.00 0.00 177.00 174.94 1hqm s LYS 106 N 5.41 1.85 -0.51 4.56 -0.14 -0.97 -4.82 119.74 125.12 1hqm s LYS 106 Ca 0.56 -1.70 -0.20 0.00 -1.36 0.00 0.00 55.97 53.27 1hqm s LYS 106 Cb -0.00 0.44 0.06 0.00 -1.68 0.00 0.00 37.83 36.64 1hqm s LYS 106 CO -0.00 -0.76 0.67 -1.21 -0.76 0.00 0.00 175.35 173.28 1hqm s GLU 107 N -3.20 3.15 -0.70 1.68 2.02 -1.26 -3.47 118.70 116.92 1hqm s GLU 107 Ca 0.30 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 54.24 1hqm s GLU 107 Cb -0.00 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.09 1hqm s GLU 107 CO 0.19 -1.25 2.02 0.08 0.02 0.00 0.00 175.26 176.32 1hqm s VAL 108 N 2.81 3.30 0.10 2.63 1.01 -0.83 -4.95 120.40 124.46 1hqm s VAL 108 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1hqm s VAL 108 Cb -0.18 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1hqm s VAL 108 CO 0.13 -0.70 0.09 0.54 0.00 0.00 0.00 175.10 175.16 1hqm n ARG 109 N 9.02 -1.34 -2.61 2.72 5.12 -1.26 -3.38 116.66 124.93 1hqm n ARG 109 Ca 0.32 -0.14 -0.34 0.00 -1.93 0.00 0.00 57.85 55.76 1hqm n ARG 109 Cb 0.50 -0.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 1hqm n ARG 109 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hqm n ALA 110 N -3.16 5.54 0.00 7.54 0.00 -0.78 -4.14 120.51 125.51 1hqm n ALA 110 Ca -0.02 -4.53 0.00 0.00 0.00 0.00 0.00 53.44 48.89 1hqm n ALA 110 Cb 0.05 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1hqm n ALA 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hqm n VAL 111 N -0.26 0.00 0.14 0.00 0.31 -1.23 -4.54 118.33 112.76 1hqm n VAL 111 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 1hqm n VAL 111 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1hqm n VAL 111 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1hqm n ASP 112 N -0.03 0.13 -2.82 4.52 10.43 -1.26 -4.66 116.55 122.86 1hqm n ASP 112 Ca 0.00 -0.27 -0.09 0.00 2.57 0.00 0.00 54.79 57.00 1hqm n ASP 112 Cb 0.00 -0.06 0.05 0.00 1.84 0.00 0.00 41.12 42.95 1hqm n ASP 112 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1hqm n PHE 113 N 0.40 -3.48 -2.02 1.24 3.01 -1.26 -0.58 117.46 114.77 1hqm n PHE 113 Ca 0.00 -0.55 -0.38 0.00 1.01 0.00 0.00 57.45 57.53 1hqm n PHE 113 Cb 0.03 -0.29 -0.03 0.00 -0.01 0.00 0.00 39.48 39.18 1hqm n PHE 113 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1hqm s THR 114 N -1.29 3.34 0.00 4.37 2.01 0.44 -4.75 115.64 119.76 1hqm s THR 114 Ca 0.24 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1hqm s THR 114 Cb -0.01 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1hqm s THR 114 CO 0.16 -0.87 0.57 -0.81 -0.69 0.00 0.00 174.62 172.98 1hqm n PRO 115 N 9.17 0.00 -2.88 4.92 -0.04 -1.26 -4.79 135.00 140.12 1hqm n PRO 115 Ca 0.22 -0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.08 1hqm n PRO 115 Cb 0.52 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1hqm n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1hqm s SER 116 N 3.15 7.15 0.00 3.54 0.15 -1.26 -5.05 113.70 121.38 1hqm s SER 116 Ca 0.00 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1hqm s SER 116 Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1hqm s SER 116 CO 0.00 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.23 1hqm n ALA 117 N 4.01 0.00 -0.13 5.45 0.00 -1.26 -4.00 120.51 124.58 1hqm n ALA 117 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1hqm n ALA 117 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1hqm n ALA 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1hqm n ASP 118 N 0.00 -0.02 -3.18 0.00 5.75 -1.26 -4.57 116.55 113.27 1hqm n ASP 118 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 1hqm n ASP 118 Cb 0.00 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.43 1hqm n ASP 118 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1hqm s VAL 119 N -0.25 -0.82 0.43 2.12 1.01 -1.26 -3.62 120.40 118.02 1hqm s VAL 119 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1hqm s VAL 119 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1hqm s VAL 119 CO 0.00 -0.16 0.77 -0.70 0.00 0.00 0.00 175.10 175.01 1hqm s GLU 120 N 1.55 3.70 -0.35 2.72 2.12 -1.03 -4.82 118.70 122.59 1hqm s GLU 120 Ca 0.19 0.38 -0.07 0.00 0.36 0.00 0.00 54.97 55.83 1hqm s GLU 120 Cb -0.06 -2.39 0.04 0.00 0.26 0.00 0.00 34.13 31.99 1hqm s GLU 120 CO -0.06 -0.09 0.13 0.42 -0.54 0.00 0.00 175.26 175.12 1hqm s ILE 121 N -2.49 3.87 0.12 -3.70 1.09 -1.26 -0.79 121.20 118.04 1hqm s ILE 121 Ca 0.50 -1.16 -0.16 0.00 -1.10 0.00 0.00 60.65 58.73 1hqm s ILE 121 Cb -0.10 -3.22 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 1hqm s ILE 121 CO 0.36 -0.22 1.61 0.24 -0.10 0.00 0.00 174.94 176.82 1hqm h MET 122 N 8.25 0.58 -4.66 2.79 2.86 -1.27 -3.34 114.93 120.13 1hqm h MET 122 Ca -0.23 -0.14 -0.72 0.00 -2.06 0.00 0.00 59.70 56.54 1hqm h MET 122 Cb 1.08 -0.07 -0.20 0.00 0.06 0.00 0.00 31.60 32.47 1hqm h MET 122 CO 0.62 0.63 0.65 0.54 1.06 0.00 0.00 176.91 180.42 1hqm s ASN 123 N -5.96 6.70 0.08 1.22 4.22 -1.25 -4.89 114.94 115.07 1hqm s ASN 123 Ca -0.13 -2.30 -0.24 0.00 -2.14 0.00 0.00 52.86 48.05 1hqm s ASN 123 Cb 0.09 -2.34 -0.16 0.00 1.28 0.00 0.00 41.25 40.12 1hqm s ASN 123 CO 0.76 -0.90 1.70 1.55 -2.04 0.00 0.00 177.10 178.17 1hqm h PRO 124 N 8.42 -0.11 0.00 3.55 0.13 -1.80 -3.43 132.00 138.76 1hqm h PRO 124 Ca 0.15 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1hqm h PRO 124 Cb 1.02 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1hqm h PRO 124 CO 1.02 -0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.48 1hqm n ASP 125 N -5.13 0.00 -0.81 1.44 10.43 -1.26 -2.35 116.55 118.87 1hqm n ASP 125 Ca -0.08 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.28 1hqm n ASP 125 Cb 0.08 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.04 1hqm n ASP 125 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1hqm n LEU 126 N 0.00 -1.08 -0.01 0.64 7.94 -1.26 -1.87 117.00 121.36 1hqm n LEU 126 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1hqm n LEU 126 Cb 0.00 -0.54 -0.00 0.00 0.53 0.00 0.00 43.42 43.41 1hqm n LEU 126 CO 0.00 0.00 0.02 1.57 -1.11 0.00 0.00 177.39 177.87 1hqm n HIS 127 N 0.33 -0.01 0.00 1.96 -0.00 -1.26 -3.06 115.22 113.19 1hqm n HIS 127 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1hqm n HIS 127 Cb 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 29.99 29.48 1hqm n HIS 127 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1hqm n ILE 128 N -4.04 0.00 0.00 3.57 2.08 -1.26 -4.15 119.36 115.56 1hqm n ILE 128 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1hqm n ILE 128 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.90 1hqm n ILE 128 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1hqm n ALA 129 N 0.00 0.00 -2.94 -1.39 0.00 -1.22 -4.07 120.51 110.90 1hqm n ALA 129 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1hqm n ALA 129 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1hqm n ALA 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hqm s THR 130 N -2.00 1.42 -0.08 0.00 2.01 -1.26 -1.96 115.64 113.78 1hqm s THR 130 Ca 0.00 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 1hqm s THR 130 Cb 0.00 -1.23 0.05 0.00 0.01 0.00 0.00 72.50 71.33 1hqm s THR 130 CO 0.00 0.41 0.16 -1.48 -0.69 0.00 0.00 174.62 173.02 1hqm s LEU 131 N 0.07 0.04 0.45 4.42 2.34 -1.23 0.91 118.68 125.69 1hqm s LEU 131 Ca -0.05 0.32 0.04 0.00 0.06 0.00 0.00 54.13 54.51 1hqm s LEU 131 Cb -0.12 0.27 0.01 0.00 -0.56 0.00 0.00 46.19 45.80 1hqm s LEU 131 CO 0.02 -0.23 0.64 -0.70 -1.06 0.00 0.00 176.35 175.02 1hqm s GLU 132 N 2.14 2.82 0.00 1.48 2.12 -1.24 -2.29 118.70 123.73 1hqm s GLU 132 Ca 0.02 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1hqm s GLU 132 Cb -0.12 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.62 1hqm s GLU 132 CO -0.06 -0.36 0.00 -1.91 -0.54 0.00 0.00 175.26 172.39 1hqm n GLU 133 N -2.01 0.00 -0.17 4.30 2.13 -1.26 -2.44 120.64 121.19 1hqm n GLU 133 Ca 0.06 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.85 1hqm n GLU 133 Cb 0.59 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.28 1hqm n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hqm n GLY 134 N 0.00 1.47 3.55 8.31 0.00 -1.26 -3.17 105.19 114.09 1hqm n GLY 134 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1hqm n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqm n GLY 135 N 3.11 -0.19 0.00 -0.02 0.00 -1.02 -4.78 105.19 102.29 1hqm n GLY 135 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1hqm n GLY 135 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hqm n LYS 136 N 8.28 0.00 -2.19 1.61 4.81 -1.26 -4.13 118.16 125.28 1hqm n LYS 136 Ca 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1hqm n LYS 136 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 1hqm n LYS 136 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1hqm n LEU 137 N 0.00 -5.57 -3.60 3.14 7.94 -1.26 -4.31 117.00 113.34 1hqm n LEU 137 Ca 0.00 2.84 -0.22 0.00 -1.11 0.00 0.00 56.01 57.52 1hqm n LEU 137 Cb 0.00 -3.02 -0.16 0.00 0.53 0.00 0.00 43.42 40.77 1hqm n LEU 137 CO 0.00 -2.24 -0.29 -0.47 -1.11 0.00 0.00 177.39 173.28 1hqm s TYR 138 N -0.49 0.00 -0.03 1.96 5.04 -1.26 -3.31 117.35 119.26 1hqm s TYR 138 Ca 0.00 0.06 0.07 0.00 -2.44 0.00 0.00 57.07 54.75 1hqm s TYR 138 Cb 0.00 -0.51 -0.02 0.00 0.35 0.00 0.00 41.96 41.78 1hqm s TYR 138 CO 0.00 -0.44 -0.23 -1.64 -1.34 0.00 0.00 175.55 171.90 1hqm s MET 139 N 2.21 2.24 -0.60 4.97 -1.94 -1.25 -2.41 119.30 122.52 1hqm s MET 139 Ca 0.04 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.20 1hqm s MET 139 Cb -0.15 -2.13 0.33 0.00 2.01 0.00 0.00 34.83 34.89 1hqm s MET 139 CO -0.08 0.56 0.96 0.39 -0.01 0.00 0.00 175.02 176.84 1hqm n GLU 140 N 2.44 3.25 -1.91 2.03 1.02 0.13 -0.89 120.64 126.70 1hqm n GLU 140 Ca -0.16 -4.85 -0.42 0.00 -0.02 0.00 0.00 57.16 51.70 1hqm n GLU 140 Cb 0.51 -2.25 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1hqm n GLU 140 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1hqm s VAL 141 N -4.32 3.43 0.55 2.62 0.11 0.42 -4.00 120.40 119.21 1hqm s VAL 141 Ca 0.48 0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 59.96 1hqm s VAL 141 Cb 0.27 -3.33 0.12 0.00 -1.53 0.00 0.00 36.38 31.91 1hqm s VAL 141 CO -0.13 -0.05 0.74 -1.14 -3.33 0.00 0.00 175.10 171.20 1hqm n ARG 142 N 7.26 -0.65 -3.63 1.54 0.63 -0.68 -0.17 116.66 120.96 1hqm n ARG 142 Ca 0.18 -1.22 -0.12 0.00 -0.92 0.00 0.00 57.85 55.77 1hqm n ARG 142 Cb 0.42 -0.74 -0.07 0.00 0.45 0.00 0.00 32.46 32.52 1hqm n ARG 142 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1hqm s VAL 143 N -2.56 0.00 0.00 5.15 1.01 -0.96 -3.82 120.40 119.21 1hqm s VAL 143 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1hqm s VAL 143 Cb -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1hqm s VAL 143 CO 0.30 0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.73 1hqm n ASP 144 N 2.39 1.47 -3.67 3.32 4.64 -1.17 -4.01 116.55 119.52 1hqm n ASP 144 Ca -0.13 0.00 -0.20 0.00 -1.38 0.00 0.00 54.79 53.08 1hqm n ASP 144 Cb 0.55 0.00 -0.18 0.00 -1.04 0.00 0.00 41.12 40.45 1hqm n ASP 144 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 1hqm s ARG 145 N 1.11 -0.07 0.14 -0.67 3.52 -1.26 -3.88 118.95 117.84 1hqm s ARG 145 Ca 0.00 0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1hqm s ARG 145 Cb 0.00 -0.55 0.02 0.00 -1.56 0.00 0.00 34.95 32.86 1hqm s ARG 145 CO 0.00 -0.34 0.25 0.41 -0.81 0.00 0.00 175.30 174.81 1hqm n GLY 146 N 5.30 1.97 1.29 8.12 0.00 -1.08 -5.03 105.19 115.76 1hqm n GLY 146 Ca -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1hqm n GLY 146 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hqm n VAL 147 N -0.19 0.37 0.00 1.61 0.24 -1.22 -0.61 118.33 118.53 1hqm n VAL 147 Ca -0.02 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1hqm n VAL 147 Cb 0.21 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 1hqm n VAL 147 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hqm n GLY 148 N 2.95 -2.30 3.20 7.63 0.00 -1.25 -3.88 105.19 111.54 1hqm n GLY 148 Ca 0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 1hqm n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hqm s TYR 149 N 0.00 1.79 -0.05 1.61 5.04 -1.26 -4.07 117.35 120.42 1hqm s TYR 149 Ca 0.00 -0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.25 1hqm s TYR 149 Cb 0.00 -1.16 0.03 0.00 0.35 0.00 0.00 41.96 41.18 1hqm s TYR 149 CO 0.00 -0.05 0.06 0.08 -1.34 0.00 0.00 175.55 174.30 1hqm s VAL 150 N -0.42 -0.09 0.00 3.14 1.01 -0.38 -4.97 120.40 118.69 1hqm s VAL 150 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1hqm s VAL 150 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1hqm s VAL 150 CO -0.00 0.15 0.00 -0.81 0.00 0.00 0.00 175.10 174.44 1hqm n PRO 151 N 5.29 2.73 -1.64 2.72 -0.04 -1.26 0.28 135.00 143.08 1hqm n PRO 151 Ca -0.03 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.09 1hqm n PRO 151 Cb 0.50 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 1hqm n PRO 151 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hqm n ALA 152 N -3.00 2.20 0.00 0.55 0.00 -1.26 -3.64 120.51 115.37 1hqm n ALA 152 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1hqm n ALA 152 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 15.91 1hqm n ALA 152 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1hqm n GLU 153 N 7.81 0.62 -0.01 0.00 4.07 -1.26 -4.91 120.64 126.96 1hqm n GLU 153 Ca 0.46 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.44 1hqm n GLU 153 Cb 0.44 -0.42 -0.10 0.00 -0.06 0.00 0.00 31.44 31.30 1hqm n GLU 153 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hqm h ARG 154 N 0.00 -0.02 -0.61 5.31 2.47 -1.92 -3.50 114.38 116.11 1hqm h ARG 154 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1hqm h ARG 154 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1hqm h ARG 154 CO 0.00 0.48 0.00 0.72 0.56 0.00 0.00 179.97 181.73 1hqm n HIS 155 N -4.86 0.00 -1.43 3.04 8.25 -1.26 -4.90 115.22 114.07 1hqm n HIS 155 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 1hqm n HIS 155 Cb 0.26 -0.91 -0.03 0.00 1.12 0.00 0.00 29.99 30.44 1hqm n HIS 155 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqm n GLY 156 N 1.64 3.59 0.00 -1.41 0.00 -1.26 -4.82 105.19 102.93 1hqm n GLY 156 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1hqm n GLY 156 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hqm n ILE 157 N 5.37 0.00 0.00 -0.61 2.08 -1.26 -4.50 119.36 120.44 1hqm n ILE 157 Ca 0.52 0.93 0.00 0.00 0.56 0.00 0.00 62.75 64.76 1hqm n ILE 157 Cb 0.38 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1hqm n ILE 157 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1hqm n LYS 158 N -0.65 0.00 -0.62 0.38 4.76 -1.26 -0.20 118.16 120.57 1hqm n LYS 158 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1hqm n LYS 158 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1hqm n LYS 158 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1hqm n ASP 159 N 0.69 4.21 0.00 4.39 2.03 -1.26 -4.88 116.55 121.72 1hqm n ASP 159 Ca 0.00 -2.21 0.00 0.00 0.52 0.00 0.00 54.79 53.10 1hqm n ASP 159 Cb 0.00 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1hqm n ASP 159 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1hqm n ARG 160 N 2.17 0.00 -3.18 -0.67 0.63 0.73 -4.07 116.66 112.26 1hqm n ARG 160 Ca 0.19 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.74 1hqm n ARG 160 Cb 0.59 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.44 1hqm n ARG 160 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1hqm s ILE 161 N 0.00 4.62 0.09 5.15 1.01 -1.26 -4.79 121.20 126.01 1hqm s ILE 161 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1hqm s ILE 161 Cb 0.00 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1hqm s ILE 161 CO 0.00 0.52 0.00 0.59 0.00 0.00 0.00 174.94 176.05 1hqm n ASN 162 N 1.60 -5.22 0.00 3.58 3.02 -1.26 -5.05 115.26 111.93 1hqm n ASN 162 Ca -0.08 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1hqm n ASN 162 Cb 0.50 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.80 1hqm n ASN 162 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqm n ALA 163 N 0.87 0.00 -4.37 5.41 0.00 -1.25 -4.62 120.51 116.55 1hqm n ALA 163 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1hqm n ALA 163 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1hqm n ALA 163 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1hqm n ILE 164 N -0.86 -0.42 -1.54 0.00 -5.35 -1.22 0.10 119.36 110.07 1hqm n ILE 164 Ca 0.00 -0.21 -0.59 0.00 -0.27 0.00 0.00 62.75 61.68 1hqm n ILE 164 Cb 0.00 -0.69 -0.08 0.00 -1.74 0.00 0.00 39.64 37.13 1hqm n ILE 164 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1hqm n PRO 165 N -4.18 0.15 -1.13 6.28 -0.04 -1.26 -4.07 135.00 130.75 1hqm n PRO 165 Ca -0.07 0.06 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1hqm n PRO 165 Cb 0.54 -1.58 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1hqm n PRO 165 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1hqm n VAL 166 N 1.97 0.00 -3.89 0.52 0.24 -0.79 -4.92 118.33 111.46 1hqm n VAL 166 Ca 0.21 -0.43 -0.24 0.00 -2.04 0.00 0.00 64.34 61.85 1hqm n VAL 166 Cb 0.08 -1.27 -0.02 0.00 -1.47 0.00 0.00 33.84 31.16 1hqm n VAL 166 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1hqm s ASP 167 N -2.13 6.33 -1.31 -1.34 1.01 -1.26 -4.64 116.67 113.34 1hqm s ASP 167 Ca 0.18 0.17 -0.15 0.00 0.71 0.00 0.00 52.55 53.46 1hqm s ASP 167 Cb -0.01 -1.91 0.10 0.00 1.01 0.00 0.00 42.92 42.11 1hqm s ASP 167 CO 0.12 -0.04 1.77 0.00 0.21 0.00 0.00 175.17 177.24 1hqm n ALA 168 N -1.03 4.15 -0.17 5.23 0.00 0.80 -4.68 120.51 124.80 1hqm n ALA 168 Ca -0.07 -3.99 -0.08 0.00 0.00 0.00 0.00 53.44 49.30 1hqm n ALA 168 Cb 0.55 -3.41 0.03 0.00 0.00 0.00 0.00 19.45 16.63 1hqm n ALA 168 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1hqm n ILE 169 N 5.46 2.01 -2.90 0.00 -5.35 -1.26 -1.25 119.36 116.08 1hqm n ILE 169 Ca 0.46 -0.82 -0.43 0.00 -0.27 0.00 0.00 62.75 61.69 1hqm n ILE 169 Cb 0.43 -1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 37.13 1hqm n ILE 169 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1hqm s PHE 170 N -0.90 2.88 -0.30 4.28 -0.12 -1.26 -4.85 117.98 117.71 1hqm s PHE 170 Ca 0.15 0.03 -0.16 0.00 -0.05 0.00 0.00 56.93 56.90 1hqm s PHE 170 Cb 0.13 -3.91 0.18 0.00 -0.63 0.00 0.00 43.02 38.78 1hqm s PHE 170 CO 0.01 -1.21 1.18 -1.12 -0.05 0.00 0.00 175.22 174.03 1hqm s SER 171 N 2.59 -0.05 0.33 1.98 0.01 -1.25 -3.45 113.70 113.86 1hqm s SER 171 Ca 0.30 0.00 0.28 0.00 1.31 0.00 0.00 55.95 57.84 1hqm s SER 171 Cb -0.13 0.89 1.07 0.00 0.21 0.00 0.00 66.02 68.06 1hqm s SER 171 CO 0.20 -0.01 1.01 -2.65 0.41 0.00 0.00 173.24 172.21 1hqm n PRO 172 N 4.80 -0.01 -3.21 12.44 -0.02 -1.25 -4.45 135.00 143.30 1hqm n PRO 172 Ca 0.10 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 61.97 1hqm n PRO 172 Cb 0.60 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.40 1hqm n PRO 172 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hqm s VAL 173 N -4.38 4.69 -0.00 -1.45 -7.23 -1.26 -2.09 120.40 108.68 1hqm s VAL 173 Ca -0.04 1.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.20 1hqm s VAL 173 Cb 0.18 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1hqm s VAL 173 CO 0.56 0.19 0.81 0.54 -0.31 0.00 0.00 175.10 176.89 1hqm n ARG 174 N 0.67 1.81 0.00 4.82 1.74 0.30 -4.89 116.66 121.11 1hqm n ARG 174 Ca -0.03 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 1hqm n ARG 174 Cb 0.51 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 1hqm n ARG 174 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1hqm n ARG 175 N -0.32 0.00 -3.44 5.56 0.63 -0.99 -4.95 116.66 113.15 1hqm n ARG 175 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1hqm n ARG 175 Cb 0.35 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.15 1hqm n ARG 175 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1hqm s VAL 176 N -0.56 -0.40 0.29 5.15 1.01 -1.26 0.38 120.40 125.01 1hqm s VAL 176 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.88 1hqm s VAL 176 Cb 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 1hqm s VAL 176 CO 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 175.10 174.71 1hqm s ALA 177 N 2.38 2.68 -0.30 5.51 0.00 -1.21 -5.01 121.76 125.81 1hqm s ALA 177 Ca 0.09 -1.93 -0.14 0.00 0.00 0.00 0.00 51.96 49.98 1hqm s ALA 177 Cb -0.15 -0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.01 1hqm s ALA 177 CO -0.18 0.14 0.93 -0.59 0.00 0.00 0.00 175.76 176.06 1hqm s PHE 178 N -2.66 -0.78 0.26 0.00 -0.12 -1.26 -2.42 117.98 110.99 1hqm s PHE 178 Ca 0.30 1.37 0.06 0.00 -0.05 0.00 0.00 56.93 58.60 1hqm s PHE 178 Cb -0.01 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1hqm s PHE 178 CO 0.14 -0.39 0.33 1.14 -0.05 0.00 0.00 175.22 176.39 1hqm s GLN 179 N 2.42 3.26 -0.40 1.99 -2.07 -1.24 -5.04 119.66 118.58 1hqm s GLN 179 Ca -0.04 -0.87 0.12 0.00 -1.82 0.00 0.00 55.36 52.75 1hqm s GLN 179 Cb -0.07 -2.79 0.40 0.00 -1.09 0.00 0.00 33.01 29.46 1hqm s GLN 179 CO -0.18 0.38 0.92 1.55 -1.32 0.00 0.00 175.29 176.64 1hqm n VAL 180 N -1.38 1.27 -1.58 3.63 3.14 -1.26 -3.88 118.33 118.27 1hqm n VAL 180 Ca -0.08 -4.22 -0.39 0.00 -2.96 0.00 0.00 64.34 56.69 1hqm n VAL 180 Cb 0.57 -0.28 0.04 0.00 -1.06 0.00 0.00 33.84 33.11 1hqm n VAL 180 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1hqm n GLU 181 N -0.08 0.96 -4.10 1.45 2.13 -1.25 -4.26 120.64 115.48 1hqm n GLU 181 Ca 0.23 0.36 -0.35 0.00 0.66 0.00 0.00 57.16 58.06 1hqm n GLU 181 Cb 0.68 -2.04 -0.07 0.00 0.27 0.00 0.00 31.44 30.28 1hqm n GLU 181 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1hqm s ASP 182 N -1.08 5.81 0.27 4.31 -4.77 -1.26 -2.12 116.67 117.83 1hqm s ASP 182 Ca 0.71 0.25 0.03 0.00 -3.30 0.00 0.00 52.55 50.24 1hqm s ASP 182 Cb -0.46 -1.74 -0.04 0.00 -1.09 0.00 0.00 42.92 39.59 1hqm s ASP 182 CO 0.51 0.34 0.20 0.42 0.70 0.00 0.00 175.17 177.34 1hqm s THR 183 N -1.07 0.03 -0.35 2.11 -4.23 -0.88 -4.88 115.64 106.38 1hqm s THR 183 Ca 0.18 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.84 1hqm s THR 183 Cb -0.12 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 71.62 1hqm s THR 183 CO 0.08 0.00 0.84 0.54 -0.54 0.00 0.00 174.62 175.55 1hqm n ARG 184 N -0.45 1.06 0.28 3.99 1.74 -1.26 -1.70 116.66 120.31 1hqm n ARG 184 Ca 0.04 -3.30 0.18 0.00 -0.77 0.00 0.00 57.85 54.00 1hqm n ARG 184 Cb 0.64 -1.47 0.95 0.00 -1.02 0.00 0.00 32.46 31.57 1hqm n ARG 184 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1hqm h LEU 185 N 3.00 0.00 -7.53 0.55 3.38 -1.93 -2.44 115.31 110.34 1hqm h LEU 185 Ca -0.00 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 57.19 1hqm h LEU 185 Cb 1.08 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.53 1hqm h LEU 185 CO 0.50 0.00 0.29 -0.83 0.09 0.00 0.00 178.44 178.49 1hqm s GLY 186 N -4.01 3.15 0.00 0.83 0.00 -1.26 -4.84 107.32 101.19 1hqm s GLY 186 Ca -0.05 -3.80 0.00 0.00 0.00 0.00 0.00 44.72 40.88 1hqm s GLY 186 CO 0.45 1.29 0.00 -0.18 0.00 0.00 0.00 173.10 174.66 1hqm n GLN 187 N 2.73 0.00 -0.19 2.90 0.00 -0.92 -4.58 117.38 117.31 1hqm n GLN 187 Ca 0.22 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.17 1hqm n GLN 187 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.61 1hqm n GLN 187 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1hqm n ARG 188 N 0.00 0.00 0.00 3.69 0.63 -1.26 -4.67 116.66 115.05 1hqm n ARG 188 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1hqm n ARG 188 Cb 0.00 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 32.72 1hqm n ARG 188 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1hqm n THR 189 N 0.96 0.00 -3.02 5.15 -2.24 -1.26 -4.10 114.28 109.78 1hqm n THR 189 Ca 0.09 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1hqm n THR 189 Cb 0.00 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 1hqm n THR 189 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hqm n ASP 190 N -0.15 -1.36 -4.15 3.42 5.75 -1.26 -4.69 116.55 114.12 1hqm n ASP 190 Ca 0.00 -2.89 -0.33 0.00 -0.01 0.00 0.00 54.79 51.55 1hqm n ASP 190 Cb 0.00 0.48 -0.16 0.00 -1.03 0.00 0.00 41.12 40.42 1hqm n ASP 190 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1hqm s LEU 191 N -0.66 2.38 0.43 -2.12 1.43 -0.69 -4.46 118.68 114.99 1hqm s LEU 191 Ca 0.33 -0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 52.57 1hqm s LEU 191 Cb 0.16 -1.53 -0.15 0.00 0.03 0.00 0.00 46.19 44.70 1hqm s LEU 191 CO -0.16 -0.02 -0.02 0.47 0.23 0.00 0.00 176.35 176.85 1hqm n ASP 192 N 4.63 -3.10 -3.02 2.29 9.92 -0.79 -2.06 116.55 124.42 1hqm n ASP 192 Ca -0.20 0.70 -0.13 0.00 -0.53 0.00 0.00 54.79 54.63 1hqm n ASP 192 Cb 0.49 -0.82 -0.03 0.00 -0.64 0.00 0.00 41.12 40.12 1hqm n ASP 192 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1hqm s LYS 193 N -0.95 0.99 0.00 -1.24 2.20 -0.90 -2.72 119.74 117.13 1hqm s LYS 193 Ca 0.55 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1hqm s LYS 193 Cb -0.54 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.23 1hqm s LYS 193 CO 0.61 -1.34 0.00 -0.11 -0.36 0.00 0.00 175.35 174.15 1hqm n LEU 194 N 2.99 0.00 0.00 5.43 -0.00 -1.26 -3.80 117.00 120.36 1hqm n LEU 194 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 1hqm n LEU 194 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1hqm n LEU 194 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 177.82 1hqm n THR 195 N 0.00 0.00 -4.33 1.96 -1.04 -1.24 -4.27 114.28 105.36 1hqm n THR 195 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 1hqm n THR 195 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1hqm n THR 195 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1hqm s LEU 196 N 0.00 2.48 -0.42 -4.42 1.02 0.49 -3.71 118.68 114.12 1hqm s LEU 196 Ca 0.00 -0.91 0.05 0.00 0.02 0.00 0.00 54.13 53.28 1hqm s LEU 196 Cb 0.00 -0.76 0.18 0.00 0.02 0.00 0.00 46.19 45.63 1hqm s LEU 196 CO 0.00 -0.09 0.41 -2.11 0.02 0.00 0.00 176.35 174.58 1hqm n ARG 197 N 0.06 0.28 -2.79 1.70 1.85 -1.02 -0.92 116.66 115.82 1hqm n ARG 197 Ca -0.11 -3.03 -0.42 0.00 -1.00 0.00 0.00 57.85 53.29 1hqm n ARG 197 Cb 0.58 -1.60 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 1hqm n ARG 197 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1hqm s ILE 198 N 0.04 4.82 -0.15 8.89 1.09 -1.26 -3.35 121.20 131.28 1hqm s ILE 198 Ca 0.33 1.82 -0.04 0.00 -1.10 0.00 0.00 60.65 61.66 1hqm s ILE 198 Cb 0.05 -4.22 -0.03 0.00 -1.06 0.00 0.00 42.46 37.20 1hqm s ILE 198 CO -0.18 -0.00 -0.02 0.26 -0.10 0.00 0.00 174.94 174.90 1hqm s TRP 199 N 2.21 3.07 -0.20 3.97 0.52 0.16 -3.23 118.94 125.45 1hqm s TRP 199 Ca 0.42 -0.18 -0.24 0.00 0.02 0.00 0.00 56.10 56.13 1hqm s TRP 199 Cb -0.17 -1.95 0.06 0.00 -1.15 0.00 0.00 33.47 30.27 1hqm s TRP 199 CO 0.14 0.06 0.64 0.95 0.02 0.00 0.00 176.95 178.76 1hqm s THR 200 N 0.18 0.00 0.00 2.01 -4.23 -1.26 0.11 115.64 112.45 1hqm s THR 200 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 1hqm s THR 200 Cb -0.13 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1hqm s THR 200 CO 0.02 -0.01 0.00 -0.67 -0.54 0.00 0.00 174.62 173.42 1hqm n ASP 201 N 2.35 0.00 -3.36 3.99 4.64 -0.89 -3.46 116.55 119.83 1hqm n ASP 201 Ca -0.15 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 52.96 1hqm n ASP 201 Cb 0.56 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.60 1hqm n ASP 201 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1hqm n GLY 202 N 0.00 2.65 5.03 0.27 0.00 -0.94 -4.70 105.19 107.51 1hqm n GLY 202 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1hqm n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqm n SER 203 N 5.83 0.00 -4.67 1.61 3.41 -1.26 -3.92 113.62 114.62 1hqm n SER 203 Ca 0.43 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.59 1hqm n SER 203 Cb 0.24 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1hqm n SER 203 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1hqm n VAL 204 N 0.00 0.64 -1.18 -3.33 0.31 -1.26 -4.98 118.33 108.53 1hqm n VAL 204 Ca 0.00 -0.11 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 1hqm n VAL 204 Cb 0.00 -2.11 0.09 0.00 -0.91 0.00 0.00 33.84 30.91 1hqm n VAL 204 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1hqm n THR 205 N 5.25 1.71 0.00 2.52 -2.24 -1.26 -4.62 114.28 115.64 1hqm n THR 205 Ca 0.21 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1hqm n THR 205 Cb 0.36 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1hqm n THR 205 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1hqm n PRO 206 N -1.48 0.00 -0.29 -0.78 -0.02 -1.26 -1.38 135.00 129.79 1hqm n PRO 206 Ca 0.11 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 1hqm n PRO 206 Cb 0.50 -1.29 0.24 0.00 -0.02 0.00 0.00 33.50 32.94 1hqm n PRO 206 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hqm h LEU 207 N 0.00 -0.23 -0.80 2.45 5.85 -1.90 0.84 115.31 121.52 1hqm h LEU 207 Ca 0.00 0.22 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1hqm h LEU 207 Cb 0.00 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1hqm h LEU 207 CO 0.00 -0.21 0.44 -0.33 -0.34 0.00 0.00 178.44 178.00 1hqm h GLU 208 N 0.13 0.72 0.00 1.25 5.08 -1.89 -0.74 114.58 119.13 1hqm h GLU 208 Ca 0.51 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.85 1hqm h GLU 208 Cb 1.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1hqm h GLU 208 CO -0.72 0.47 -0.11 0.00 -1.00 0.00 0.00 179.01 177.65 1hqm h ALA 209 N 1.45 -0.13 -2.19 3.43 0.00 0.19 -2.37 119.26 119.64 1hqm h ALA 209 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1hqm h ALA 209 Cb 0.37 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1hqm h ALA 209 CO -0.26 -0.61 0.00 -0.11 0.00 0.00 0.00 179.25 178.28 1hqm n LEU 210 N -5.24 0.00 -0.32 0.00 7.94 -0.31 -1.13 117.00 117.94 1hqm n LEU 210 Ca -0.05 0.64 0.17 0.00 -1.11 0.00 0.00 56.01 55.65 1hqm n LEU 210 Cb 0.16 -0.14 0.35 0.00 0.53 0.00 0.00 43.42 44.33 1hqm n LEU 210 CO 0.28 -0.14 0.94 0.78 -1.11 0.00 0.00 177.39 178.14 1hqm h ASN 211 N 0.00 -0.03 -0.16 1.96 2.35 -1.56 0.64 115.58 118.78 1hqm h ASN 211 Ca 0.00 0.23 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 1hqm h ASN 211 Cb 0.00 0.31 -0.07 0.00 0.05 0.00 0.00 38.32 38.61 1hqm h ASN 211 CO 0.00 -0.24 -0.41 -0.61 -1.65 0.00 0.00 177.43 174.51 1hqm h GLN 212 N 0.14 -0.45 0.22 0.81 4.15 -1.07 0.82 115.11 119.74 1hqm h GLN 212 Ca 0.62 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 60.06 1hqm h GLN 212 Cb 1.35 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1hqm h GLN 212 CO -0.74 -0.30 -0.11 0.00 -1.93 0.00 0.00 178.83 175.75 1hqm h ALA 213 N 0.17 -0.30 -0.98 3.38 0.00 0.16 0.47 119.26 122.16 1hqm h ALA 213 Ca 0.08 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.21 1hqm h ALA 213 Cb 0.62 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1hqm h ALA 213 CO -0.41 -0.67 0.81 0.28 0.00 0.00 0.00 179.25 179.26 1hqm h VAL 214 N -0.30 0.33 0.09 0.00 2.07 0.62 1.65 116.25 120.71 1hqm h VAL 214 Ca -0.03 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1hqm h VAL 214 Cb 0.24 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1hqm h VAL 214 CO 0.05 0.00 -0.69 0.00 0.02 0.00 0.00 177.57 176.95 1hqm h ALA 215 N 1.30 -0.01 -0.79 1.67 0.00 0.24 -3.07 119.26 118.60 1hqm h ALA 215 Ca 0.46 -0.72 0.20 0.00 0.00 0.00 0.00 54.91 54.85 1hqm h ALA 215 Cb 2.08 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.97 1hqm h ALA 215 CO -0.00 0.35 0.54 0.82 0.00 0.00 0.00 179.25 180.96 1hqm h ILE 216 N -0.57 0.68 0.00 0.00 2.04 0.69 1.26 117.51 121.60 1hqm h ILE 216 Ca -0.13 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1hqm h ILE 216 Cb 1.47 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1hqm h ILE 216 CO 0.08 0.04 -0.00 0.25 0.00 0.00 0.00 178.15 178.52 1hqm h LEU 217 N 0.20 -0.00 -0.12 1.44 5.85 -0.38 -2.62 115.31 119.67 1hqm h LEU 217 Ca 0.39 -0.85 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 1hqm h LEU 217 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1hqm h LEU 217 CO -0.08 0.85 -0.07 0.11 -0.34 0.00 0.00 178.44 178.91 1hqm h LYS 218 N -0.85 0.26 -0.98 1.25 1.57 -1.33 0.64 116.57 117.12 1hqm h LYS 218 Ca -0.00 -0.12 0.33 0.00 -1.87 0.00 0.00 60.65 58.99 1hqm h LYS 218 Cb 0.85 -0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.99 1hqm h LYS 218 CO 0.00 0.61 0.36 1.49 -0.57 0.00 0.00 179.45 181.34 1hqm h GLU 219 N -0.11 0.09 0.02 3.15 4.81 0.15 0.21 114.58 122.90 1hqm h GLU 219 Ca 0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1hqm h GLU 219 Cb 0.54 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1hqm h GLU 219 CO 0.02 0.06 -0.01 0.45 -0.73 0.00 0.00 179.01 178.80 1hqm h HIS 220 N 0.10 -0.02 -1.28 0.92 3.86 -1.02 -3.34 115.15 114.36 1hqm h HIS 220 Ca 0.71 -0.00 0.39 0.00 -1.16 0.00 0.00 60.37 60.32 1hqm h HIS 220 Cb 1.69 0.01 -0.11 0.00 1.06 0.00 0.00 27.41 30.05 1hqm h HIS 220 CO -0.18 0.74 0.84 -0.07 0.86 0.00 0.00 177.93 180.12 1hqm h LEU 221 N -0.85 0.26 -1.95 2.43 3.38 0.35 0.42 115.31 119.35 1hqm h LEU 221 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1hqm h LEU 221 Cb 0.77 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1hqm h LEU 221 CO 0.00 -0.08 0.00 0.78 0.09 0.00 0.00 178.44 179.23 1hqm h ASN 222 N 0.15 0.00 -0.06 -0.43 -0.26 -1.47 -2.25 115.58 111.27 1hqm h ASN 222 Ca 0.75 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.50 1hqm h ASN 222 Cb 2.35 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.61 1hqm h ASN 222 CO -0.32 0.00 0.09 1.88 -1.06 0.00 0.00 177.43 178.02 1hqm h TYR 223 N 0.00 0.00 -1.97 1.19 0.99 -0.37 -3.04 116.97 113.76 1hqm h TYR 223 Ca 0.00 0.00 -0.76 0.00 2.00 0.00 0.00 58.73 59.97 1hqm h TYR 223 Cb 0.03 0.00 -0.19 0.00 1.00 0.00 0.00 36.73 37.58 1hqm h TYR 223 CO 0.00 0.00 1.56 1.19 -0.00 0.00 0.00 178.16 180.91 1hqm n PHE 224 N -3.55 3.53 0.00 4.88 3.01 -0.85 -4.73 117.46 119.77 1hqm n PHE 224 Ca -0.01 -2.99 0.00 0.00 1.01 0.00 0.00 57.45 55.46 1hqm n PHE 224 Cb 0.18 -1.89 0.00 0.00 -0.01 0.00 0.00 39.48 37.76 1hqm n PHE 224 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hqm n ALA 225 N 3.86 0.41 -2.61 4.37 0.00 -1.15 -5.03 120.51 120.36 1hqm n ALA 225 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 1hqm n ALA 225 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1hqm n ALA 225 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1hqm s ASN 226 N 1.00 7.05 0.88 0.00 0.01 -1.26 -5.03 114.94 117.60 1hqm s ASN 226 Ca 0.00 1.40 -0.08 0.00 -0.71 0.00 0.00 52.86 53.47 1hqm s ASN 226 Cb 0.00 -2.54 0.15 0.00 0.41 0.00 0.00 41.25 39.27 1hqm s ASN 226 CO 0.00 -0.71 0.93 -0.81 -1.51 0.00 0.00 177.10 175.00 1hqm n PRO 227 N 6.43 -0.64 -2.93 -0.60 -0.04 -1.26 -5.10 135.00 130.87 1hqm n PRO 227 Ca 0.12 -1.75 -0.02 0.00 -0.04 0.00 0.00 63.50 61.82 1hqm n PRO 227 Cb 0.46 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1hqm n PRO 227 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1hqm s GLU 228 N -4.97 0.91 0.00 0.54 2.12 -1.26 -5.17 118.70 110.88 1hqm s GLU 228 Ca 0.55 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1hqm s GLU 228 Cb -0.02 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.38 1hqm s GLU 228 CO 0.38 -1.19 0.00 0.00 -0.54 0.00 0.00 175.26 173.91 1hqm n ALA 229 N 3.51 0.00 0.00 6.30 0.00 -1.26 -5.12 120.51 123.94 1hqm n ALA 229 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1hqm n ALA 229 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1hqm n ALA 229 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hqm n SER 230 N 0.00 0.00 0.00 0.00 7.64 -1.26 -5.37 113.62 114.63 1hqm n SER 230 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1hqm n SER 230 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1hqm n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03