#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cqs n LEU 3 N 0.00 0.00 -4.75 3.41 7.94 -1.26 -4.51 117.00 117.83 1cqs n LEU 3 Ca 0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.53 1cqs n LEU 3 Cb 0.00 0.00 0.04 0.00 0.53 0.00 0.00 43.42 43.99 1cqs n LEU 3 CO 0.00 0.00 0.88 -2.84 -1.11 0.00 0.00 177.39 174.32 1cqs s PRO 4 N -1.08 2.92 0.89 1.96 0.02 -1.26 -4.97 135.00 133.47 1cqs s PRO 4 Ca 0.00 1.95 -0.12 0.00 0.02 0.00 0.00 61.00 62.85 1cqs s PRO 4 Cb 0.00 -1.98 0.12 0.00 0.02 0.00 0.00 34.50 32.67 1cqs s PRO 4 CO 0.00 -1.28 1.13 0.95 -0.33 0.00 0.00 177.00 177.47 1cqs s THR 5 N -1.49 2.21 0.27 0.99 -4.23 -1.26 -4.27 115.64 107.87 1cqs s THR 5 Ca 0.77 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 61.33 1cqs s THR 5 Cb -0.34 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 70.95 1cqs s THR 5 CO 0.37 -0.09 1.92 0.00 -0.54 0.00 0.00 174.62 176.28 1cqs h ALA 6 N -1.42 1.39 -0.07 3.99 0.00 -1.92 1.00 119.26 122.24 1cqs h ALA 6 Ca -0.50 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1cqs h ALA 6 Cb 1.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1cqs h ALA 6 CO 0.61 0.51 -0.41 1.96 0.00 0.00 0.00 179.25 181.92 1cqs h GLN 7 N 1.19 0.14 -0.27 0.00 4.20 -1.91 -2.14 115.11 116.33 1cqs h GLN 7 Ca 0.39 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.90 1cqs h GLN 7 Cb 0.03 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1cqs h GLN 7 CO -0.12 0.53 -0.34 0.93 -0.67 0.00 0.00 178.83 179.16 1cqs h GLU 8 N 0.12 0.70 -0.52 1.46 5.08 -1.48 -2.82 114.58 117.12 1cqs h GLU 8 Ca 0.01 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1cqs h GLU 8 Cb 0.78 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 1cqs h GLU 8 CO 0.06 1.02 0.19 0.28 -1.00 0.00 0.00 179.01 179.56 1cqs h VAL 9 N 0.43 0.82 -0.79 3.13 2.07 -0.56 0.05 116.25 121.40 1cqs h VAL 9 Ca 0.03 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1cqs h VAL 9 Cb 0.92 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1cqs h VAL 9 CO 0.08 0.07 0.51 1.56 0.02 0.00 0.00 177.57 179.81 1cqs h GLN 10 N 0.37 0.97 -0.34 1.57 4.20 -1.36 -1.38 115.11 119.14 1cqs h GLN 10 Ca 0.25 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 1cqs h GLN 10 Cb 0.28 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1cqs h GLN 10 CO -0.26 0.64 -0.30 0.78 -0.67 0.00 0.00 178.83 179.03 1cqs h GLY 11 N 1.00 0.86 1.00 3.46 0.00 -1.09 -1.83 103.07 106.47 1cqs h GLY 11 Ca 0.31 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1cqs h GLY 11 CO -0.11 0.78 0.28 1.41 0.00 0.00 0.00 176.54 178.91 1cqs h LEU 12 N 0.57 0.50 -0.53 3.11 3.38 -0.77 -1.37 115.31 120.20 1cqs h LEU 12 Ca 0.06 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1cqs h LEU 12 Cb 0.87 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1cqs h LEU 12 CO 0.08 0.37 -0.36 0.24 0.09 0.00 0.00 178.44 178.85 1cqs h MET 13 N 0.58 0.80 0.00 1.13 2.86 -1.31 -2.14 114.93 116.86 1cqs h MET 13 Ca 0.16 -0.40 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 1cqs h MET 13 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1cqs h MET 13 CO -0.03 1.03 -0.48 0.00 1.06 0.00 0.00 176.91 178.49 1cqs h ALA 14 N 0.93 1.18 -0.56 6.32 0.00 -1.12 -2.88 119.26 123.12 1cqs h ALA 14 Ca 0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1cqs h ALA 14 Cb 0.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1cqs h ALA 14 CO 0.08 0.59 -0.07 -0.09 0.00 0.00 0.00 179.25 179.77 1cqs h ARG 15 N 0.00 1.02 -0.83 0.00 2.43 -0.91 -2.80 114.38 113.29 1cqs h ARG 15 Ca -0.00 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1cqs h ARG 15 Cb 0.86 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 1cqs h ARG 15 CO 0.06 1.04 0.54 -0.92 -1.51 0.00 0.00 179.97 179.18 1cqs h TYR 16 N 0.92 1.02 -0.38 2.20 3.20 -1.18 -0.46 116.97 122.29 1cqs h TYR 16 Ca 0.15 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1cqs h TYR 16 Cb 0.62 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1cqs h TYR 16 CO 0.04 0.63 -0.11 0.82 -1.64 0.00 0.00 178.16 177.90 1cqs h ILE 17 N 1.09 1.25 -0.30 1.81 1.08 -1.42 -1.26 117.51 119.76 1cqs h ILE 17 Ca 0.31 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1cqs h ILE 17 Cb -0.09 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1cqs h ILE 17 CO -0.08 0.38 0.14 -0.33 -0.69 0.00 0.00 178.15 177.57 1cqs h GLU 18 N 0.62 0.43 -0.27 2.37 5.08 -1.08 0.14 114.58 121.88 1cqs h GLU 18 Ca 0.11 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1cqs h GLU 18 Cb 0.55 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1cqs h GLU 18 CO 0.03 0.41 0.01 -0.07 -1.00 0.00 0.00 179.01 178.40 1cqs h LEU 19 N 0.34 0.45 -0.74 1.33 3.38 -0.93 -1.78 115.31 117.36 1cqs h LEU 19 Ca 0.10 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.85 1cqs h LEU 19 Cb 0.12 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1cqs h LEU 19 CO -0.01 0.63 0.42 0.58 0.09 0.00 0.00 178.44 180.15 1cqs h VAL 20 N 0.25 0.96 -0.66 1.22 2.07 -1.13 0.43 116.25 119.39 1cqs h VAL 20 Ca 0.08 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1cqs h VAL 20 Cb 0.39 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1cqs h VAL 20 CO 0.01 0.14 0.40 -0.78 0.02 0.00 0.00 177.57 177.36 1cqs h ASP 21 N 0.76 0.65 1.29 0.57 3.58 -0.58 -1.69 116.42 120.99 1cqs h ASP 21 Ca 0.34 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1cqs h ASP 21 Cb 0.23 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1cqs h ASP 21 CO -0.20 0.44 -0.16 1.33 -2.88 0.00 0.00 179.24 177.77 1cqs n VAL 22 N -4.71 0.50 -1.41 2.25 0.24 -0.66 -4.72 118.33 109.82 1cqs n VAL 22 Ca 0.07 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1cqs n VAL 22 Cb 0.10 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1cqs n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cqs n GLY 23 N 1.33 0.40 3.34 7.63 0.00 0.14 -4.95 105.19 113.08 1cqs n GLY 23 Ca 0.05 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1cqs n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cqs n ASP 24 N 1.96 4.27 0.03 1.61 -0.08 -0.95 -4.77 116.55 118.63 1cqs n ASP 24 Ca 0.00 -2.86 0.16 0.00 -1.51 0.00 0.00 54.79 50.58 1cqs n ASP 24 Cb 0.22 -1.69 0.63 0.00 2.34 0.00 0.00 41.12 42.62 1cqs n ASP 24 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1cqs h ILE 25 N 5.18 0.83 0.28 5.18 2.04 -1.92 -1.69 117.51 127.41 1cqs h ILE 25 Ca 0.45 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.26 1cqs h ILE 25 Cb 0.81 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1cqs h ILE 25 CO 1.57 0.02 -0.13 -0.33 0.00 0.00 0.00 178.15 179.28 1cqs h GLU 26 N 0.10 -0.36 -0.74 2.37 5.08 -2.00 -2.62 114.58 116.40 1cqs h GLU 26 Ca 0.21 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1cqs h GLU 26 Cb 0.69 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1cqs h GLU 26 CO -0.02 -0.02 0.49 0.00 -1.00 0.00 0.00 179.01 178.45 1cqs h ALA 27 N -0.19 1.62 0.19 3.43 0.00 -1.85 -2.82 119.26 119.63 1cqs h ALA 27 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1cqs h ALA 27 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cqs h ALA 27 CO 0.06 0.29 -0.09 0.82 0.00 0.00 0.00 179.25 180.33 1cqs h ILE 28 N 0.85 0.88 -0.55 0.00 2.04 -1.26 -2.98 117.51 116.48 1cqs h ILE 28 Ca 0.31 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1cqs h ILE 28 Cb 0.14 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1cqs h ILE 28 CO -0.10 0.07 0.37 0.58 0.00 0.00 0.00 178.15 179.07 1cqs h VAL 29 N -0.41 0.98 0.00 1.67 2.07 -1.26 0.35 116.25 119.65 1cqs h VAL 29 Ca -0.03 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1cqs h VAL 29 Cb 0.31 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1cqs h VAL 29 CO 0.04 0.09 0.00 1.67 0.02 0.00 0.00 177.57 179.39 1cqs n GLN 30 N -4.47 0.12 0.20 1.57 -0.06 -1.08 -2.32 117.38 111.34 1cqs n GLN 30 Ca 0.08 0.26 0.09 0.00 -2.00 0.00 0.00 57.00 55.43 1cqs n GLN 30 Cb 0.25 -1.70 0.26 0.00 -4.06 0.00 0.00 30.24 24.99 1cqs n GLN 30 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 1cqs h MET 31 N 0.00 0.00 -6.72 3.69 2.86 -0.14 -3.45 114.93 111.17 1cqs h MET 31 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1cqs h MET 31 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1cqs h MET 31 CO 0.00 0.24 0.06 0.71 1.06 0.00 0.00 176.91 178.99 1cqs s TYR 32 N -3.31 3.42 0.75 -0.22 1.51 -0.98 -1.56 117.35 116.96 1cqs s TYR 32 Ca 0.03 1.08 -0.13 0.00 -1.01 0.00 0.00 57.07 57.05 1cqs s TYR 32 Cb 0.08 -2.44 0.05 0.00 -0.11 0.00 0.00 41.96 39.53 1cqs s TYR 32 CO 0.67 0.05 1.13 0.00 -1.11 0.00 0.00 175.55 176.30 1cqs s ALA 33 N -2.10 2.16 0.26 3.71 0.00 -0.71 -4.77 121.76 120.31 1cqs s ALA 33 Ca 0.52 0.56 0.20 0.00 0.00 0.00 0.00 51.96 53.24 1cqs s ALA 33 Cb -0.10 -3.37 0.90 0.00 0.00 0.00 0.00 23.12 20.55 1cqs s ALA 33 CO 0.23 -1.81 1.84 0.38 0.00 0.00 0.00 175.76 176.41 1cqs h ASP 34 N -0.69 0.00 -0.23 0.00 2.03 -1.93 -2.92 116.42 112.67 1cqs h ASP 34 Ca -0.45 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.70 1cqs h ASP 34 Cb 1.26 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.66 1cqs h ASP 34 CO 0.50 0.29 -0.36 -0.90 -1.03 0.00 0.00 179.24 177.75 1cqs n ASP 35 N -3.64 2.45 -4.72 4.15 5.75 -1.26 -2.17 116.55 117.11 1cqs n ASP 35 Ca -0.01 -3.85 -0.34 0.00 -0.01 0.00 0.00 54.79 50.58 1cqs n ASP 35 Cb 0.42 -0.56 0.10 0.00 -1.03 0.00 0.00 41.12 40.04 1cqs n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cqs s ALA 36 N -3.30 2.10 0.06 2.12 0.00 -1.10 -4.46 121.76 117.17 1cqs s ALA 36 Ca 0.42 0.78 0.08 0.00 0.00 0.00 0.00 51.96 53.25 1cqs s ALA 36 Cb 0.39 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1cqs s ALA 36 CO -0.03 -1.89 -0.22 0.95 0.00 0.00 0.00 175.76 174.57 1cqs s THR 37 N -2.14 1.75 -0.02 0.00 -4.23 -0.80 -0.90 115.64 109.30 1cqs s THR 37 Ca 0.72 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1cqs s THR 37 Cb -0.27 -1.54 -0.00 0.00 1.34 0.00 0.00 72.50 72.03 1cqs s THR 37 CO 0.47 0.15 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.89 1cqs s VAL 38 N -0.90 0.97 -0.30 2.29 1.01 -0.58 -2.28 120.40 120.61 1cqs s VAL 38 Ca 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1cqs s VAL 38 Cb -0.09 -0.83 0.09 0.00 0.00 0.00 0.00 36.38 35.55 1cqs s VAL 38 CO 0.03 0.28 0.03 -1.61 0.00 0.00 0.00 175.10 173.83 1cqs s GLU 39 N -0.06 1.26 -0.25 2.72 2.02 -0.38 -1.63 118.70 122.39 1cqs s GLU 39 Ca 0.01 -1.34 -0.02 0.00 0.02 0.00 0.00 54.97 53.63 1cqs s GLU 39 Cb -0.07 -2.61 0.12 0.00 0.10 0.00 0.00 34.13 31.66 1cqs s GLU 39 CO 0.00 -0.85 0.28 1.21 0.02 0.00 0.00 175.26 175.92 1cqs s ASN 40 N 1.29 1.29 0.57 -0.19 2.47 -1.26 -0.89 114.94 118.22 1cqs s ASN 40 Ca 0.05 -0.36 -0.15 0.00 0.42 0.00 0.00 52.86 52.83 1cqs s ASN 40 Cb -0.18 0.57 -0.05 0.00 -1.45 0.00 0.00 41.25 40.13 1cqs s ASN 40 CO -0.13 -0.35 1.02 -2.16 -3.72 0.00 0.00 177.10 171.76 1cqs s PRO 41 N 2.38 3.63 0.42 0.43 0.04 -1.26 -4.97 135.00 135.67 1cqs s PRO 41 Ca 0.09 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 1cqs s PRO 41 Cb -0.15 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1cqs s PRO 41 CO -0.21 -0.54 1.40 0.12 0.04 0.00 0.00 177.00 177.80 1cqs s PHE 42 N -2.71 2.60 0.00 0.56 5.36 0.58 -0.83 117.98 123.55 1cqs s PHE 42 Ca 0.59 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 1cqs s PHE 42 Cb -0.12 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 1cqs s PHE 42 CO 0.39 -2.67 0.00 0.41 -1.46 0.00 0.00 175.22 171.89 1cqs n GLY 43 N 0.59 2.64 3.87 13.12 0.00 -1.26 -4.91 105.19 119.24 1cqs n GLY 43 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1cqs n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cqs s GLN 44 N -0.28 3.80 0.56 1.61 1.11 -0.01 -5.04 119.66 121.41 1cqs s GLN 44 Ca 0.00 0.41 -0.20 0.00 0.01 0.00 0.00 55.36 55.58 1cqs s GLN 44 Cb 0.00 -2.47 -0.05 0.00 -1.01 0.00 0.00 33.01 29.48 1cqs s GLN 44 CO 0.00 0.09 1.18 -2.14 0.01 0.00 0.00 175.29 174.43 1cqs s PRO 45 N -3.50 3.19 0.22 2.91 0.02 -1.26 -4.77 135.00 131.81 1cqs s PRO 45 Ca 0.50 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 62.98 1cqs s PRO 45 Cb -0.10 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 1cqs s PRO 45 CO 0.27 -1.02 1.51 -2.14 -0.33 0.00 0.00 177.00 175.29 1cqs s PRO 46 N -3.24 4.23 -0.21 5.54 0.02 -1.26 -4.81 135.00 135.27 1cqs s PRO 46 Ca 0.74 2.36 -0.11 0.00 0.02 0.00 0.00 61.00 64.02 1cqs s PRO 46 Cb -0.28 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 1cqs s PRO 46 CO 0.31 -0.52 0.18 0.96 -0.33 0.00 0.00 177.00 177.61 1cqs s ILE 47 N 0.42 5.36 -0.05 2.83 -4.36 -0.64 -4.93 121.20 119.83 1cqs s ILE 47 Ca 0.64 0.27 0.06 0.00 -0.26 0.00 0.00 60.65 61.36 1cqs s ILE 47 Cb -0.43 -3.52 -0.01 0.00 1.25 0.00 0.00 42.46 39.75 1cqs s ILE 47 CO 0.39 0.39 -0.23 -2.28 0.24 0.00 0.00 174.94 173.45 1cqs s HIS 48 N 0.67 2.21 0.00 1.37 2.46 -1.26 -1.53 115.29 119.21 1cqs s HIS 48 Ca 0.10 -0.62 0.00 0.00 0.47 0.00 0.00 55.06 55.01 1cqs s HIS 48 Cb -0.12 -1.45 0.00 0.00 -0.13 0.00 0.00 32.58 30.87 1cqs s HIS 48 CO 0.02 -0.18 0.00 0.41 -2.47 0.00 0.00 174.74 172.52 1cqs n GLY 49 N 2.93 -1.11 0.32 1.59 0.00 -0.08 -4.31 105.19 104.54 1cqs n GLY 49 Ca -0.17 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.53 1cqs n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1cqs h ARG 50 N 0.00 0.05 0.27 1.61 3.08 -1.67 -0.98 114.38 116.74 1cqs h ARG 50 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1cqs h ARG 50 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1cqs h ARG 50 CO 0.00 0.03 -0.13 1.49 -1.07 0.00 0.00 179.97 180.30 1cqs h GLU 51 N 0.05 -0.35 -0.22 0.04 4.81 -1.87 0.42 114.58 117.47 1cqs h GLU 51 Ca 0.13 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1cqs h GLU 51 Cb 0.47 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1cqs h GLU 51 CO -0.01 -0.01 0.04 1.96 -0.73 0.00 0.00 179.01 180.27 1cqs h GLN 52 N -0.76 0.13 -0.85 1.92 4.20 -1.65 -2.34 115.11 115.76 1cqs h GLN 52 Ca -0.04 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.74 1cqs h GLN 52 Cb 0.50 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 1cqs h GLN 52 CO 0.06 0.08 0.51 0.82 -0.67 0.00 0.00 178.83 179.64 1cqs h ILE 53 N 0.13 0.99 0.00 2.54 2.04 -1.18 -0.78 117.51 121.25 1cqs h ILE 53 Ca 0.10 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1cqs h ILE 53 Cb 0.09 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1cqs h ILE 53 CO -0.13 0.16 -0.19 0.00 0.00 0.00 0.00 178.15 178.00 1cqs h ALA 54 N 1.43 1.49 -0.53 1.87 0.00 -0.52 -2.01 119.26 120.98 1cqs h ALA 54 Ca 0.39 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1cqs h ALA 54 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1cqs h ALA 54 CO -0.20 0.24 -0.02 0.00 0.00 0.00 0.00 179.25 179.26 1cqs h ALA 55 N 1.81 0.95 0.05 0.00 0.00 -0.62 0.73 119.26 122.18 1cqs h ALA 55 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1cqs h ALA 55 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1cqs h ALA 55 CO 0.02 0.63 -0.20 0.35 0.00 0.00 0.00 179.25 180.06 1cqs h PHE 56 N 0.85 -0.52 -0.06 0.00 3.57 -1.24 -2.25 116.94 117.29 1cqs h PHE 56 Ca 0.15 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 1cqs h PHE 56 Cb 0.54 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1cqs h PHE 56 CO 0.03 -0.28 -0.54 1.88 -2.23 0.00 0.00 178.31 177.17 1cqs h TYR 57 N -0.35 0.22 0.54 0.41 -1.99 -1.40 0.26 116.97 114.66 1cqs h TYR 57 Ca 0.04 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 1cqs h TYR 57 Cb 0.40 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1cqs h TYR 57 CO -0.22 0.68 -0.41 0.00 -0.00 0.00 0.00 178.16 178.21 1cqs h ARG 58 N 0.14 -0.89 0.08 4.88 -0.00 -0.68 -1.89 114.38 116.02 1cqs h ARG 58 Ca 0.00 0.06 -0.26 0.00 -0.50 0.00 0.00 59.98 59.28 1cqs h ARG 58 Cb 1.00 0.20 0.01 0.00 0.00 0.00 0.00 29.97 31.18 1cqs h ARG 58 CO 0.08 -0.59 -1.12 1.96 0.00 0.00 0.00 179.97 180.29 1cqs h GLN 59 N -0.92 0.41 -0.07 0.04 4.20 -1.40 0.13 115.11 117.49 1cqs h GLN 59 Ca -0.06 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.10 1cqs h GLN 59 Cb 0.78 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1cqs h GLN 59 CO 0.01 1.21 0.02 0.78 -0.67 0.00 0.00 178.83 180.18 1cqs h GLY 60 N 1.13 0.12 -0.03 3.46 0.00 -0.51 -3.20 103.07 104.05 1cqs h GLY 60 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1cqs h GLY 60 CO 0.20 0.07 -0.67 1.04 0.00 0.00 0.00 176.54 177.17 1cqs n LEU 61 N -4.91 1.17 -2.32 3.11 4.77 -0.71 -4.96 117.00 113.15 1cqs n LEU 61 Ca -0.06 -0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1cqs n LEU 61 Cb 0.14 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1cqs n LEU 61 CO 0.34 0.25 1.41 0.61 -1.33 0.00 0.00 177.39 178.67 1cqs n GLY 62 N 1.46 2.43 0.00 -0.72 0.00 0.46 -4.84 105.19 103.98 1cqs n GLY 62 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1cqs n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cqs n LYS 65 N 2.88 0.00 -3.58 1.61 4.76 -1.26 -4.86 118.16 117.71 1cqs n LYS 65 Ca 0.31 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.39 1cqs n LYS 65 Cb 0.53 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.64 1cqs n LYS 65 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1cqs s VAL 66 N 0.00 5.33 0.14 -0.18 1.01 -1.26 -4.47 120.40 120.97 1cqs s VAL 66 Ca 0.00 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1cqs s VAL 66 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1cqs s VAL 66 CO 0.00 0.39 -0.15 -0.13 0.00 0.00 0.00 175.10 175.20 1cqs s ARG 67 N 0.56 1.87 -0.06 2.72 1.81 0.59 -4.82 118.95 121.62 1cqs s ARG 67 Ca 0.14 -1.23 -0.06 0.00 -1.72 0.00 0.00 55.73 52.85 1cqs s ARG 67 Cb -0.13 -2.12 0.01 0.00 -0.45 0.00 0.00 34.95 32.27 1cqs s ARG 67 CO 0.03 0.46 0.17 0.00 -0.68 0.00 0.00 175.30 175.28 1cqs s ALA 68 N -1.39 -0.42 -0.11 2.13 0.00 -1.26 0.13 121.76 120.83 1cqs s ALA 68 Ca 0.21 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 1cqs s ALA 68 Cb -0.10 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.83 1cqs s ALA 68 CO 0.12 -0.10 0.40 0.00 0.00 0.00 0.00 175.76 176.18 1cqs s LEU 70 N -0.28 4.16 -0.12 0.00 1.43 -1.26 -1.11 118.68 121.50 1cqs s LEU 70 Ca -0.04 2.38 0.16 0.00 -1.03 0.00 0.00 54.13 55.60 1cqs s LEU 70 Cb -0.03 -4.04 0.28 0.00 0.03 0.00 0.00 46.19 42.42 1cqs s LEU 70 CO 0.02 -0.75 1.14 0.35 0.23 0.00 0.00 176.35 177.35 1cqs n THR 71 N -0.02 1.71 0.00 5.49 -2.24 -0.39 -4.85 114.28 113.98 1cqs n THR 71 Ca 0.05 -2.15 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 1cqs n THR 71 Cb 0.46 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1cqs n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cqs n GLY 72 N -1.22 0.65 3.71 3.38 0.00 -1.25 -4.96 105.19 105.50 1cqs n GLY 72 Ca 0.15 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1cqs n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cqs s PRO 73 N -2.00 1.78 -0.08 1.61 0.04 -1.26 -4.60 135.00 130.49 1cqs s PRO 73 Ca 0.00 1.62 -0.23 0.00 0.04 0.00 0.00 61.00 62.44 1cqs s PRO 73 Cb 0.00 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1cqs s PRO 73 CO 0.00 -2.08 0.67 0.08 0.04 0.00 0.00 177.00 175.71 1cqs s VAL 74 N -2.31 5.06 -0.11 -0.36 1.01 -1.26 -4.49 120.40 117.95 1cqs s VAL 74 Ca 0.70 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.88 1cqs s VAL 74 Cb -0.26 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1cqs s VAL 74 CO 0.51 0.26 0.47 -0.13 0.00 0.00 0.00 175.10 176.21 1cqs s ARG 75 N 0.80 4.31 -0.02 2.72 3.00 0.16 -4.90 118.95 125.02 1cqs s ARG 75 Ca 0.36 0.45 0.04 0.00 0.00 0.00 0.00 55.73 56.57 1cqs s ARG 75 Cb -0.17 -3.42 -0.01 0.00 0.00 0.00 0.00 34.95 31.35 1cqs s ARG 75 CO 0.17 0.21 -0.13 0.00 0.00 0.00 0.00 175.30 175.55 1cqs s ALA 76 N 0.47 1.08 0.26 2.13 0.00 -1.26 -0.65 121.76 123.78 1cqs s ALA 76 Ca 0.26 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1cqs s ALA 76 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1cqs s ALA 76 CO 0.11 0.24 0.00 -1.13 0.00 0.00 0.00 175.76 174.97 1cqs n SER 77 N 2.92 0.00 -0.82 0.00 3.41 -0.16 -4.93 113.62 114.03 1cqs n SER 77 Ca -0.15 -0.99 0.09 0.00 -0.26 0.00 0.00 58.87 57.55 1cqs n SER 77 Cb 0.55 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.65 1cqs n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1cqs n HIS 78 N -1.24 0.33 -1.71 7.33 8.25 -1.26 -3.84 115.22 123.07 1cqs n HIS 78 Ca 0.00 -0.23 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 1cqs n HIS 78 Cb 0.00 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.24 1cqs n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cqs n ASN 79 N 1.01 3.14 0.00 0.41 2.04 -1.26 -4.92 115.26 115.68 1cqs n ASN 79 Ca 0.14 -3.83 0.00 0.00 -0.44 0.00 0.00 54.58 50.44 1cqs n ASN 79 Cb 0.47 -0.50 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 1cqs n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cqs n GLY 80 N -0.98 0.43 3.46 4.83 0.00 -1.26 -4.61 105.19 107.06 1cqs n GLY 80 Ca 0.32 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1cqs n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cqs s GLY 82 N -2.42 0.14 -0.06 0.00 0.00 -0.49 -0.99 107.32 103.50 1cqs s GLY 82 Ca 0.19 -0.57 -0.05 0.00 0.00 0.00 0.00 44.72 44.29 1cqs s GLY 82 CO 0.10 -0.68 0.15 0.00 0.00 0.00 0.00 173.10 172.67 1cqs s ALA 83 N -3.89 -0.36 -0.00 3.20 0.00 0.18 -1.08 121.76 119.81 1cqs s ALA 83 Ca 0.09 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 1cqs s ALA 83 Cb 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 1cqs s ALA 83 CO -0.07 -0.08 0.11 0.00 0.00 0.00 0.00 175.76 175.72 1cqs s MET 84 N 0.18 0.40 -0.13 0.00 0.23 -0.33 -0.67 119.30 118.98 1cqs s MET 84 Ca -0.01 -0.35 -0.06 0.00 -1.03 0.00 0.00 55.69 54.24 1cqs s MET 84 Cb -0.02 0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 1cqs s MET 84 CO -0.00 -0.09 0.09 -1.25 -2.03 0.00 0.00 175.02 171.74 1cqs s PRO 85 N -1.16 3.51 0.27 3.16 0.04 -1.26 -1.90 135.00 137.66 1cqs s PRO 85 Ca -0.13 -0.25 -0.15 0.00 0.04 0.00 0.00 61.00 60.51 1cqs s PRO 85 Cb -0.07 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.36 1cqs s PRO 85 CO 0.01 0.61 0.58 -0.59 0.04 0.00 0.00 177.00 177.65 1cqs s PHE 86 N -0.57 0.20 0.04 0.56 -0.12 -0.52 -1.27 117.98 116.30 1cqs s PHE 86 Ca 0.11 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.43 1cqs s PHE 86 Cb -0.12 0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1cqs s PHE 86 CO 0.02 -1.12 -0.13 0.50 -0.05 0.00 0.00 175.22 174.44 1cqs s ARG 87 N -3.81 0.84 -0.15 1.99 3.52 -0.26 -1.39 118.95 119.69 1cqs s ARG 87 Ca 0.19 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1cqs s ARG 87 Cb -0.03 -0.83 -0.01 0.00 -1.56 0.00 0.00 34.95 32.52 1cqs s ARG 87 CO 0.09 0.20 -0.11 0.08 -0.81 0.00 0.00 175.30 174.75 1cqs s VAL 88 N -0.94 3.17 -0.18 7.11 1.01 -0.05 -1.56 120.40 128.97 1cqs s VAL 88 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1cqs s VAL 88 Cb -0.08 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1cqs s VAL 88 CO 0.01 0.51 -0.09 -1.61 0.00 0.00 0.00 175.10 173.92 1cqs s GLU 89 N 0.53 3.34 0.00 2.72 2.02 0.12 -1.27 118.70 126.16 1cqs s GLU 89 Ca -0.07 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1cqs s GLU 89 Cb -0.15 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1cqs s GLU 89 CO 0.04 -0.05 0.00 0.00 0.02 0.00 0.00 175.26 175.27 1cqs n MET 90 N 4.30 0.99 -4.17 1.61 0.00 -1.20 -0.30 117.12 118.35 1cqs n MET 90 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.26 1cqs n MET 90 Cb 0.51 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.57 1cqs n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1cqs s VAL 91 N -0.38 1.03 -0.92 3.17 1.01 -1.26 -2.92 120.40 120.12 1cqs s VAL 91 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1cqs s VAL 91 Cb 0.00 -1.01 0.21 0.00 0.00 0.00 0.00 36.38 35.58 1cqs s VAL 91 CO 0.00 0.35 0.93 0.86 0.00 0.00 0.00 175.10 177.25 1cqs s TRP 92 N 1.27 3.71 0.00 5.22 -0.00 0.10 -4.80 118.94 124.45 1cqs s TRP 92 Ca -0.03 -2.00 0.00 0.00 -0.00 0.00 0.00 56.10 54.06 1cqs s TRP 92 Cb -0.14 -3.94 0.00 0.00 -0.00 0.00 0.00 33.47 29.39 1cqs s TRP 92 CO -0.03 -1.10 0.00 -1.71 -0.00 0.00 0.00 176.95 174.10 1cqs n ASN 93 N 4.35 -3.19 0.00 5.86 5.15 -1.26 -3.13 115.26 123.04 1cqs n ASN 93 Ca 0.19 0.78 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 1cqs n ASN 93 Cb 0.46 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 1cqs n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cqs n GLY 94 N 2.07 1.33 3.75 8.20 0.00 -1.26 -4.92 105.19 114.35 1cqs n GLY 94 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1cqs n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cqs s GLN 95 N 0.00 3.12 0.08 1.61 2.00 -1.18 -5.08 119.66 120.20 1cqs s GLN 95 Ca 0.00 -0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 52.73 1cqs s GLN 95 Cb 0.00 -2.91 -0.05 0.00 0.80 0.00 0.00 33.01 30.85 1cqs s GLN 95 CO 0.00 0.72 1.02 -1.25 -0.50 0.00 0.00 175.29 175.29 1cqs s PRO 96 N -0.98 4.60 0.39 1.67 0.04 -1.26 0.01 135.00 139.47 1cqs s PRO 96 Ca 0.14 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1cqs s PRO 96 Cb -0.12 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1cqs s PRO 96 CO 0.04 0.04 0.18 0.00 0.04 0.00 0.00 177.00 177.29 1cqs s ALA 98 N -3.26 -0.16 -0.05 0.00 0.00 0.68 -3.23 121.76 115.74 1cqs s ALA 98 Ca 0.28 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1cqs s ALA 98 Cb 0.02 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1cqs s ALA 98 CO 0.18 -0.22 -0.09 -1.17 0.00 0.00 0.00 175.76 174.46 1cqs s LEU 99 N -1.59 1.57 -0.20 0.00 0.20 -0.39 -1.01 118.68 117.25 1cqs s LEU 99 Ca -0.13 -0.21 -0.09 0.00 0.69 0.00 0.00 54.13 54.39 1cqs s LEU 99 Cb -0.07 -0.62 -0.05 0.00 -0.43 0.00 0.00 46.19 45.02 1cqs s LEU 99 CO -0.00 0.01 0.12 -1.81 -0.29 0.00 0.00 176.35 174.37 1cqs s ASP 100 N 0.64 6.03 0.07 3.68 1.01 -0.55 -0.87 116.67 126.69 1cqs s ASP 100 Ca -0.11 0.16 0.05 0.00 0.71 0.00 0.00 52.55 53.36 1cqs s ASP 100 Cb -0.14 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 1cqs s ASP 100 CO 0.02 0.15 -0.13 -0.69 0.21 0.00 0.00 175.17 174.73 1cqs s VAL 101 N 0.51 1.00 -0.08 -1.27 1.01 -0.48 -4.73 120.40 116.36 1cqs s VAL 101 Ca 0.07 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.74 1cqs s VAL 101 Cb -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1cqs s VAL 101 CO -0.00 -0.29 -0.11 -0.63 0.00 0.00 0.00 175.10 174.07 1cqs s ILE 102 N -1.45 1.12 -0.06 2.22 1.01 -1.04 -1.44 121.20 121.57 1cqs s ILE 102 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1cqs s ILE 102 Cb -0.09 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1cqs s ILE 102 CO 0.02 0.36 -0.12 -1.61 0.00 0.00 0.00 174.94 173.59 1cqs s GLU 103 N 1.04 2.62 -0.17 2.79 2.02 -0.80 -0.64 118.70 125.56 1cqs s GLU 103 Ca -0.07 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 1cqs s GLU 103 Cb -0.15 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 1cqs s GLU 103 CO -0.01 0.61 -0.08 0.08 0.02 0.00 0.00 175.26 175.88 1cqs s VAL 104 N -0.69 3.28 -0.02 2.63 1.01 -0.29 -1.19 120.40 125.14 1cqs s VAL 104 Ca 0.10 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1cqs s VAL 104 Cb -0.11 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1cqs s VAL 104 CO 0.01 0.48 -0.19 -0.04 0.00 0.00 0.00 175.10 175.35 1cqs s MET 105 N 0.84 1.62 -0.11 2.72 -1.94 -0.24 -1.64 119.30 120.55 1cqs s MET 105 Ca -0.03 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1cqs s MET 105 Cb -0.15 -1.55 -0.02 0.00 2.01 0.00 0.00 34.83 35.12 1cqs s MET 105 CO 0.01 0.41 -0.11 0.50 -0.01 0.00 0.00 175.02 175.81 1cqs s ARG 106 N -0.41 3.15 0.18 2.03 3.52 -0.78 -1.40 118.95 125.24 1cqs s ARG 106 Ca 0.06 -0.65 0.06 0.00 -0.13 0.00 0.00 55.73 55.07 1cqs s ARG 106 Cb -0.08 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 1cqs s ARG 106 CO -0.00 0.37 0.14 -0.06 -0.81 0.00 0.00 175.30 174.93 1cqs s PHE 107 N -0.04 3.12 0.31 5.12 0.40 0.35 -0.93 117.98 126.32 1cqs s PHE 107 Ca -0.02 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.32 1cqs s PHE 107 Cb -0.14 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 41.96 1cqs s PHE 107 CO 0.04 0.52 0.40 -0.40 0.70 0.00 0.00 175.22 176.48 1cqs n ASP 108 N -0.49 1.25 0.33 1.36 3.85 0.05 -1.74 116.55 121.16 1cqs n ASP 108 Ca -0.08 -1.86 0.21 0.00 -0.71 0.00 0.00 54.79 52.35 1cqs n ASP 108 Cb 0.55 -0.20 1.15 0.00 -1.35 0.00 0.00 41.12 41.27 1cqs n ASP 108 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1cqs h GLU 109 N 0.00 0.00 -0.24 0.11 9.09 -1.92 -0.80 114.58 120.82 1cqs h GLU 109 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.26 1cqs h GLU 109 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 1cqs h GLU 109 CO 0.22 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.00 1cqs n HIS 110 N -3.00 0.30 -1.69 2.06 8.25 -1.26 -4.84 115.22 115.04 1cqs n HIS 110 Ca -0.03 -0.15 -0.04 0.00 -0.26 0.00 0.00 57.72 57.24 1cqs n HIS 110 Cb 0.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1cqs n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cqs n GLY 111 N 1.34 0.39 3.55 -1.41 0.00 -0.31 -5.03 105.19 103.72 1cqs n GLY 111 Ca 0.18 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1cqs n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cqs s ARG 112 N -3.45 2.10 -0.28 1.61 0.52 -1.26 -4.84 118.95 113.35 1cqs s ARG 112 Ca 0.00 -1.02 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 1cqs s ARG 112 Cb 0.00 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 1cqs s ARG 112 CO 0.00 0.51 1.70 0.42 0.02 0.00 0.00 175.30 177.95 1cqs s ILE 113 N -1.15 3.59 0.00 1.52 1.01 -0.60 -0.77 121.20 124.80 1cqs s ILE 113 Ca 0.20 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1cqs s ILE 113 Cb -0.11 -3.70 -0.27 0.00 0.01 0.00 0.00 42.46 38.40 1cqs s ILE 113 CO 0.12 -0.38 0.86 -0.61 0.00 0.00 0.00 174.94 174.92 1cqs h GLN 114 N 11.80 0.20 -3.41 2.79 4.15 -1.34 -1.89 115.11 127.42 1cqs h GLN 114 Ca -0.34 -0.34 -0.18 0.00 0.77 0.00 0.00 58.65 58.57 1cqs h GLN 114 Cb 1.16 0.13 -0.25 0.00 0.21 0.00 0.00 27.48 28.73 1cqs h GLN 114 CO 1.02 1.04 -0.53 0.99 -1.93 0.00 0.00 178.83 179.42 1cqs s THR 115 N -2.62 0.02 -0.01 2.39 2.01 -1.15 -1.91 115.64 114.36 1cqs s THR 115 Ca -0.08 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1cqs s THR 115 Cb 0.07 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.31 1cqs s THR 115 CO 0.84 -0.11 0.03 -0.32 -0.69 0.00 0.00 174.62 174.37 1cqs s MET 116 N -0.33 0.01 -0.07 4.92 1.75 -0.96 -1.86 119.30 122.76 1cqs s MET 116 Ca -0.04 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.48 1cqs s MET 116 Cb -0.03 -0.05 0.02 0.00 2.84 0.00 0.00 34.83 37.61 1cqs s MET 116 CO 0.01 -0.04 -0.06 -0.65 -0.65 0.00 0.00 175.02 173.62 1cqs s GLN 117 N 0.27 1.13 -0.23 4.11 -0.21 -0.65 -1.25 119.66 122.82 1cqs s GLN 117 Ca -0.02 -0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.13 1cqs s GLN 117 Cb -0.03 -1.13 -0.02 0.00 1.00 0.00 0.00 33.01 32.83 1cqs s GLN 117 CO -0.01 -0.12 0.02 0.00 -2.12 0.00 0.00 175.29 173.06 1cqs s ALA 118 N 1.15 3.01 -0.28 6.09 0.00 -0.07 -1.14 121.76 130.52 1cqs s ALA 118 Ca -0.07 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 1cqs s ALA 118 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1cqs s ALA 118 CO -0.01 -0.42 0.16 0.71 0.00 0.00 0.00 175.76 176.20 1cqs s TYR 119 N 1.47 3.19 0.00 0.00 1.51 0.19 -0.31 117.35 123.40 1cqs s TYR 119 Ca 0.05 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1cqs s TYR 119 Cb -0.15 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.35 1cqs s TYR 119 CO 0.01 -0.26 0.00 -2.67 -1.11 0.00 0.00 175.55 171.52 1cqs n TRP 120 N 5.03 0.00 -3.41 2.71 4.27 -1.26 -2.49 117.44 122.29 1cqs n TRP 120 Ca -0.14 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.45 1cqs n TRP 120 Cb 0.51 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.47 1cqs n TRP 120 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1cqs n SER 121 N 0.00 -0.49 0.27 -0.67 3.41 -1.26 -4.78 113.62 110.10 1cqs n SER 121 Ca 0.00 -1.30 0.11 0.00 -0.26 0.00 0.00 58.87 57.42 1cqs n SER 121 Cb 0.00 0.81 0.76 0.00 -0.26 0.00 0.00 64.21 65.52 1cqs n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1cqs h GLU 122 N 0.00 0.00 0.00 4.33 3.07 -2.00 -1.57 114.58 118.41 1cqs h GLU 122 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1cqs h GLU 122 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1cqs h GLU 122 CO 0.10 0.02 0.00 -0.39 -1.40 0.00 0.00 179.01 177.34 1cqs h VAL 123 N 0.00 0.00 -0.36 3.13 -1.51 -2.01 -2.28 116.25 113.22 1cqs h VAL 123 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1cqs h VAL 123 Cb 0.04 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.05 1cqs h VAL 123 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1cqs n ASN 124 N -2.56 3.27 -4.72 4.19 4.13 -0.59 -4.92 115.26 114.06 1cqs n ASN 124 Ca -0.01 -1.97 -0.35 0.00 1.68 0.00 0.00 54.58 53.93 1cqs n ASN 124 Cb 0.12 -0.23 -0.08 0.00 -1.54 0.00 0.00 39.78 38.05 1cqs n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1cqs s LEU 125 N -1.51 4.19 -0.04 3.41 0.20 -0.86 -1.48 118.68 122.60 1cqs s LEU 125 Ca 0.38 0.22 0.02 0.00 0.69 0.00 0.00 54.13 55.44 1cqs s LEU 125 Cb 0.22 -2.10 0.01 0.00 -0.43 0.00 0.00 46.19 43.89 1cqs s LEU 125 CO 0.31 0.16 -0.09 -0.94 -0.29 0.00 0.00 176.35 175.50 1cqs s SER 126 N 0.48 1.29 0.00 3.68 1.04 -0.18 -4.97 113.70 115.04 1cqs s SER 126 Ca 0.08 -0.20 0.26 0.00 0.48 0.00 0.00 55.95 56.58 1cqs s SER 126 Cb -0.11 -0.45 0.72 0.00 0.10 0.00 0.00 66.02 66.28 1cqs s SER 126 CO -0.01 0.04 1.56 0.52 0.98 0.00 0.00 173.24 176.33