#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cqg s VAL 2 N 0.00 5.39 -0.06 2.03 1.01 -1.26 -3.31 120.40 124.20 1cqg s VAL 2 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1cqg s VAL 2 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1cqg s VAL 2 CO 0.00 0.56 -0.09 -0.75 0.00 0.00 0.00 175.10 174.82 1cqg s LYS 3 N -0.69 1.41 -0.26 2.72 2.47 -0.90 -5.03 119.74 119.46 1cqg s LYS 3 Ca 0.16 -0.30 -0.13 0.00 -1.56 0.00 0.00 55.97 54.14 1cqg s LYS 3 Cb -0.13 -1.24 -0.04 0.00 -1.46 0.00 0.00 37.83 34.96 1cqg s LYS 3 CO 0.05 -0.03 0.27 -1.14 0.16 0.00 0.00 175.35 174.65 1cqg s GLN 4 N 0.84 4.03 -0.37 4.03 0.74 -1.26 -1.33 119.66 126.33 1cqg s GLN 4 Ca -0.12 -0.12 -0.14 0.00 0.05 0.00 0.00 55.36 55.03 1cqg s GLN 4 Cb -0.15 -3.61 -0.00 0.00 1.10 0.00 0.00 33.01 30.35 1cqg s GLN 4 CO 0.02 -0.14 0.27 0.42 -0.55 0.00 0.00 175.29 175.31 1cqg s ILE 5 N 1.63 5.27 -2.85 -2.34 -1.09 -1.00 -4.92 121.20 115.91 1cqg s ILE 5 Ca 0.11 -0.42 0.25 0.00 -2.23 0.00 0.00 60.65 58.37 1cqg s ILE 5 Cb -0.15 -3.81 0.30 0.00 -1.58 0.00 0.00 42.46 37.21 1cqg s ILE 5 CO 0.09 -0.15 1.40 -0.62 -1.23 0.00 0.00 174.94 174.43 1cqg n GLU 6 N 5.13 2.13 -3.65 2.79 -0.58 -1.26 -4.50 120.64 120.70 1cqg n GLU 6 Ca -0.12 -1.64 -0.12 0.00 -0.42 0.00 0.00 57.16 54.86 1cqg n GLU 6 Cb 0.48 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.83 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1cqg s SER 7 N -2.00 -0.28 0.35 1.62 1.04 -1.26 -4.49 113.70 108.68 1cqg s SER 7 Ca 0.31 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.72 1cqg s SER 7 Cb 0.20 0.44 0.66 0.00 0.10 0.00 0.00 66.02 67.43 1cqg s SER 7 CO 0.31 -0.73 1.86 0.50 0.98 0.00 0.00 173.24 176.16 1cqg h LYS 8 N 2.79 0.34 -0.35 4.02 3.64 -1.92 -1.66 116.57 123.43 1cqg h LYS 8 Ca -0.32 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.02 1cqg h LYS 8 Cb 1.22 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1cqg h LYS 8 CO 0.44 0.48 0.09 1.15 -2.27 0.00 0.00 179.45 179.34 1cqg h THR 9 N 0.32 0.85 0.00 1.00 2.02 -1.99 0.17 112.91 115.27 1cqg h THR 9 Ca 0.06 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1cqg h THR 9 Cb 0.44 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1cqg h THR 9 CO 0.03 0.04 -0.52 0.00 0.37 0.00 0.00 175.52 175.44 1cqg h ALA 10 N 1.25 1.12 -0.60 6.16 0.00 -1.88 -2.80 119.26 122.50 1cqg h ALA 10 Ca 0.16 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1cqg h ALA 10 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 10 CO -0.20 0.65 0.39 0.35 0.00 0.00 0.00 179.25 180.44 1cqg h PHE 11 N 0.00 0.74 -0.38 0.00 3.57 -0.06 0.44 116.94 121.24 1cqg h PHE 11 Ca -0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1cqg h PHE 11 Cb 0.93 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1cqg h PHE 11 CO 0.00 0.46 0.02 1.96 -2.23 0.00 0.00 178.31 178.52 1cqg h GLN 12 N 0.80 0.67 -0.49 1.11 1.08 -1.08 -1.61 115.11 115.59 1cqg h GLN 12 Ca 0.23 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1cqg h GLN 12 Cb -0.07 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 1cqg h GLN 12 CO -0.06 0.75 0.11 0.93 -0.95 0.00 0.00 178.83 179.61 1cqg h GLU 13 N 0.50 0.75 -0.31 1.46 4.39 -1.14 -2.03 114.58 118.20 1cqg h GLU 13 Ca 0.11 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1cqg h GLU 13 Cb 0.44 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1cqg h GLU 13 CO 0.02 0.69 -0.12 0.00 -1.16 0.00 0.00 179.01 178.43 1cqg h ALA 14 N 1.40 0.43 -0.94 3.43 0.00 0.14 -1.38 119.26 122.34 1cqg h ALA 14 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1cqg h ALA 14 Cb 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1cqg h ALA 14 CO -0.00 0.30 0.57 -0.07 0.00 0.00 0.00 179.25 180.05 1cqg h LEU 15 N 0.39 1.13 -0.88 0.00 3.38 -1.01 -1.93 115.31 116.39 1cqg h LEU 15 Ca 0.07 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1cqg h LEU 15 Cb 0.63 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1cqg h LEU 15 CO 0.04 0.87 -0.44 -0.78 0.09 0.00 0.00 178.44 178.21 1cqg h ASP 16 N 1.30 0.27 -0.47 -0.43 1.82 -1.20 -2.98 116.42 114.72 1cqg h ASP 16 Ca 0.34 -0.12 -0.13 0.00 -0.39 0.00 0.00 57.03 56.73 1cqg h ASP 16 Cb -0.06 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 1cqg h ASP 16 CO -0.06 0.68 -0.20 0.00 -1.61 0.00 0.00 179.24 178.04 1cqg h ALA 17 N 1.33 0.72 -0.55 -0.78 0.00 -0.52 -2.82 119.26 116.64 1cqg h ALA 17 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1cqg h ALA 17 Cb 0.87 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1cqg h ALA 17 CO 0.07 0.67 0.25 0.00 0.00 0.00 0.00 179.25 180.25 1cqg h ALA 18 N 0.90 1.42 -0.58 0.00 0.00 -1.26 -3.47 119.26 116.28 1cqg h ALA 18 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cqg h ALA 18 Cb 0.78 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1cqg h ALA 18 CO 0.06 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1cqg n GLY 19 N -1.17 3.07 0.62 0.00 0.00 -1.07 -2.03 105.19 104.62 1cqg n GLY 19 Ca 0.05 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1cqg n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cqg n ASP 20 N 7.97 1.88 -4.80 1.61 8.00 -1.26 -2.78 116.55 127.16 1cqg n ASP 20 Ca 0.00 -1.72 -0.34 0.00 0.71 0.00 0.00 54.79 53.44 1cqg n ASP 20 Cb 0.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1cqg n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cqg s LYS 21 N -1.79 4.05 0.75 -1.24 1.02 -0.86 -4.75 119.74 116.92 1cqg s LYS 21 Ca 0.33 1.29 -0.15 0.00 0.02 0.00 0.00 55.97 57.46 1cqg s LYS 21 Cb 0.18 -2.22 0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1cqg s LYS 21 CO 0.28 -0.21 1.24 -1.17 -0.92 0.00 0.00 175.35 174.57 1cqg s LEU 22 N -3.18 3.30 -0.09 3.17 0.20 -1.26 -4.56 118.68 116.26 1cqg s LEU 22 Ca 0.63 2.47 -0.04 0.00 0.69 0.00 0.00 54.13 57.88 1cqg s LEU 22 Cb -0.14 -4.60 0.05 0.00 -0.43 0.00 0.00 46.19 41.06 1cqg s LEU 22 CO 0.18 -2.42 0.18 -0.69 -0.29 0.00 0.00 176.35 173.31 1cqg s VAL 23 N -1.86 -0.27 -0.08 1.68 1.01 -0.77 -2.24 120.40 117.88 1cqg s VAL 23 Ca 0.77 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1cqg s VAL 23 Cb -0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1cqg s VAL 23 CO 0.46 0.14 -0.02 -0.69 0.00 0.00 0.00 175.10 174.99 1cqg s VAL 24 N 2.23 4.12 -0.16 2.92 1.01 -0.47 -0.63 120.40 129.43 1cqg s VAL 24 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1cqg s VAL 24 Cb -0.12 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1cqg s VAL 24 CO -0.06 0.60 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 1cqg s VAL 25 N -0.86 1.71 -0.43 2.92 1.01 0.66 -0.07 120.40 125.32 1cqg s VAL 25 Ca 0.13 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1cqg s VAL 25 Cb -0.11 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1cqg s VAL 25 CO 0.02 0.48 0.43 -0.62 0.00 0.00 0.00 175.10 175.41 1cqg s ASP 26 N 1.43 6.18 -0.58 3.32 2.15 -0.01 -0.98 116.67 128.18 1cqg s ASP 26 Ca 0.05 -0.81 -0.22 0.00 0.43 0.00 0.00 52.55 52.00 1cqg s ASP 26 Cb -0.13 -2.22 0.06 0.00 -0.30 0.00 0.00 42.92 40.34 1cqg s ASP 26 CO -0.11 -0.60 0.84 -0.36 -0.17 0.00 0.00 175.17 174.76 1cqg s PHE 27 N 2.06 2.84 0.08 -5.34 0.08 0.11 -0.86 117.98 116.94 1cqg s PHE 27 Ca 0.10 -0.45 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1cqg s PHE 27 Cb -0.18 -4.01 -0.03 0.00 -0.57 0.00 0.00 43.02 38.23 1cqg s PHE 27 CO 0.12 -1.36 -0.15 -1.12 -0.10 0.00 0.00 175.22 172.61 1cqg s SER 28 N 3.19 1.77 -0.23 1.36 0.01 -0.72 -1.16 113.70 117.92 1cqg s SER 28 Ca 0.21 -0.63 -0.22 0.00 1.31 0.00 0.00 55.95 56.63 1cqg s SER 28 Cb -0.17 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1cqg s SER 28 CO 0.13 -0.06 0.71 0.00 0.41 0.00 0.00 173.24 174.42 1cqg s ALA 29 N -1.27 3.60 0.36 1.44 0.00 -1.26 -3.56 121.76 121.07 1cqg s ALA 29 Ca -0.01 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1cqg s ALA 29 Cb -0.10 -3.12 0.68 0.00 0.00 0.00 0.00 23.12 20.58 1cqg s ALA 29 CO 0.02 -0.78 1.85 0.00 0.00 0.00 0.00 175.76 176.85 1cqg h THR 30 N 5.35 1.22 0.00 0.00 1.03 -1.96 -1.89 112.91 116.66 1cqg h THR 30 Ca -0.27 -1.01 -0.04 0.00 -0.01 0.00 0.00 66.41 65.08 1cqg h THR 30 Cb 1.12 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.54 1cqg h THR 30 CO 0.81 0.31 -0.20 4.11 -0.01 0.00 0.00 175.52 180.54 1cqg h TRP 31 N 0.23 0.00 -3.46 0.00 5.08 -2.03 -3.42 115.95 112.35 1cqg h TRP 31 Ca 0.04 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.42 1cqg h TRP 31 Cb 0.51 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.58 1cqg h TRP 31 CO 0.01 0.20 0.57 0.00 -1.28 0.00 0.00 178.44 177.94 1cqg h GLY 33 N 9.92 -0.10 0.28 0.00 0.00 -1.83 -2.20 103.07 109.13 1cqg h GLY 33 Ca -0.23 0.04 0.20 0.00 0.00 0.00 0.00 47.33 47.34 1cqg h GLY 33 CO 0.96 -0.04 0.60 -2.55 0.00 0.00 0.00 176.54 175.51 1cqg h PRO 34 N -0.10 0.49 0.01 4.80 0.11 -1.94 0.23 132.00 135.60 1cqg h PRO 34 Ca -0.00 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 1cqg h PRO 34 Cb 0.09 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.09 1cqg h PRO 34 CO 0.00 0.33 -0.24 0.00 -0.21 0.00 0.00 178.00 177.88 1cqg h ALA 35 N 1.61 0.02 -0.56 -0.75 0.00 -1.79 -3.19 119.26 114.60 1cqg h ALA 35 Ca 0.49 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cqg h ALA 35 Cb 1.08 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1cqg h ALA 35 CO -0.22 0.08 0.36 -0.22 0.00 0.00 0.00 179.25 179.25 1cqg h LYS 36 N -0.57 0.75 -0.03 0.00 3.64 -0.79 -1.08 116.57 118.49 1cqg h LYS 36 Ca -0.03 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1cqg h LYS 36 Cb 1.03 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1cqg h LYS 36 CO 0.05 0.51 0.03 1.98 -2.27 0.00 0.00 179.45 179.74 1cqg h MET 37 N 0.77 0.00 -0.00 1.90 4.05 -0.59 -0.46 114.93 120.60 1cqg h MET 37 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1cqg h MET 37 Cb -0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1cqg h MET 37 CO -0.04 0.00 -0.02 -0.89 0.23 0.00 0.00 176.91 176.19 1cqg n ILE 38 N -4.44 0.00 0.24 1.77 5.41 -0.41 -4.12 119.36 117.81 1cqg n ILE 38 Ca -0.02 -0.06 0.07 0.00 1.00 0.00 0.00 62.75 63.74 1cqg n ILE 38 Cb 0.12 -0.24 0.60 0.00 -0.71 0.00 0.00 39.64 39.41 1cqg n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1cqg h LYS 39 N 0.55 0.02 -0.95 0.38 2.10 -1.10 -3.13 116.57 114.44 1cqg h LYS 39 Ca 0.00 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1cqg h LYS 39 Cb 0.18 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.46 1cqg h LYS 39 CO 0.00 0.06 0.63 -1.35 -2.00 0.00 0.00 179.45 176.78 1cqg h PRO 40 N 0.02 1.21 -0.02 0.07 0.11 -1.80 0.55 132.00 132.14 1cqg h PRO 40 Ca 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1cqg h PRO 40 Cb 0.08 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 1cqg h PRO 40 CO 0.01 0.80 -0.01 0.74 -0.21 0.00 0.00 178.00 179.33 1cqg h PHE 41 N 1.25 0.04 0.11 0.65 -1.00 -1.87 0.81 116.94 116.92 1cqg h PHE 41 Ca 0.36 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.13 1cqg h PHE 41 Cb -0.08 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1cqg h PHE 41 CO -0.01 0.46 -0.05 0.35 -1.61 0.00 0.00 178.31 177.46 1cqg h PHE 42 N -0.40 -0.13 -0.53 -0.55 3.57 -1.57 -0.41 116.94 116.92 1cqg h PHE 42 Ca 0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1cqg h PHE 42 Cb 0.45 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1cqg h PHE 42 CO 0.08 -0.07 -0.05 1.25 -2.23 0.00 0.00 178.31 177.29 1cqg h HIS 43 N -0.16 1.07 -0.72 0.41 2.76 0.09 -3.01 115.15 115.59 1cqg h HIS 43 Ca -0.01 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 57.90 1cqg h HIS 43 Cb 0.13 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 1cqg h HIS 43 CO -0.07 0.99 0.26 0.77 -1.30 0.00 0.00 177.93 178.58 1cqg h SER 44 N 0.84 1.00 0.20 3.26 0.02 0.85 -2.57 113.55 117.15 1cqg h SER 44 Ca 0.14 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1cqg h SER 44 Cb 0.60 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1cqg h SER 44 CO 0.04 0.91 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.53 1cqg h LEU 45 N 1.05 0.00 -1.40 5.07 3.38 -0.94 -2.24 115.31 120.24 1cqg h LEU 45 Ca 0.24 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1cqg h LEU 45 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1cqg h LEU 45 CO -0.01 0.04 0.50 0.28 0.09 0.00 0.00 178.44 179.33 1cqg h SER 46 N 0.00 0.61 0.86 -0.43 0.02 -1.45 0.31 113.55 113.47 1cqg h SER 46 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1cqg h SER 46 Cb 0.14 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1cqg h SER 46 CO 0.00 0.37 -0.70 -0.33 -1.14 0.00 0.00 176.83 175.04 1cqg h GLU 47 N 0.68 0.00 0.08 3.45 4.39 -1.58 -2.89 114.58 118.71 1cqg h GLU 47 Ca 0.35 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.80 1cqg h GLU 47 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1cqg h GLU 47 CO -0.13 0.00 -1.13 -0.22 -1.16 0.00 0.00 179.01 176.37 1cqg h LYS 48 N 0.00 0.22 -2.22 2.33 3.11 -0.52 -3.33 116.57 116.17 1cqg h LYS 48 Ca 0.00 -0.35 -0.59 0.00 -2.81 0.00 0.00 60.65 56.91 1cqg h LYS 48 Cb 0.78 0.12 -0.42 0.00 -1.00 0.00 0.00 32.23 31.71 1cqg h LYS 48 CO 0.00 1.14 -0.68 0.66 -2.81 0.00 0.00 179.45 177.76 1cqg n TYR 49 N -3.53 3.47 0.10 1.91 4.01 0.75 -4.85 117.16 119.02 1cqg n TYR 49 Ca -0.06 -4.03 0.01 0.00 -0.16 0.00 0.00 57.90 53.66 1cqg n TYR 49 Cb 0.97 -0.51 0.06 0.00 -0.31 0.00 0.00 39.34 39.55 1cqg n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1cqg n SER 50 N 0.29 0.00 -0.73 7.72 3.41 -1.09 -0.23 113.62 122.99 1cqg n SER 50 Ca 0.30 0.46 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 1cqg n SER 50 Cb 0.42 -0.46 0.22 0.00 -0.26 0.00 0.00 64.21 64.13 1cqg n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1cqg n ASN 51 N -1.46 2.14 -4.25 4.04 5.15 -1.26 -4.60 115.26 115.02 1cqg n ASN 51 Ca 0.01 -1.94 -0.20 0.00 -0.60 0.00 0.00 54.58 51.85 1cqg n ASN 51 Cb 0.03 -0.24 -0.12 0.00 -0.53 0.00 0.00 39.78 38.92 1cqg n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1cqg s VAL 52 N -1.52 1.42 -0.25 3.44 1.01 0.68 -4.66 120.40 120.52 1cqg s VAL 52 Ca 0.29 -1.61 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 1cqg s VAL 52 Cb 0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1cqg s VAL 52 CO 0.21 -0.29 0.12 -0.63 0.00 0.00 0.00 175.10 174.52 1cqg s ILE 53 N -1.73 4.89 -0.17 2.22 -1.09 -0.95 -4.21 121.20 120.15 1cqg s ILE 53 Ca 0.07 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.45 1cqg s ILE 53 Cb -0.07 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1cqg s ILE 53 CO 0.04 0.32 0.03 -0.36 -1.23 0.00 0.00 174.94 173.74 1cqg s PHE 54 N 1.41 3.18 0.00 3.97 0.40 -1.21 -1.37 117.98 124.37 1cqg s PHE 54 Ca 0.06 -0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1cqg s PHE 54 Cb -0.15 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 1cqg s PHE 54 CO 0.06 0.10 -0.14 -0.51 0.70 0.00 0.00 175.22 175.43 1cqg s LEU 55 N 0.35 2.78 -0.12 -0.37 1.02 0.89 -2.11 118.68 121.12 1cqg s LEU 55 Ca 0.01 -0.28 -0.00 0.00 0.02 0.00 0.00 54.13 53.87 1cqg s LEU 55 Cb -0.13 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 1cqg s LEU 55 CO 0.01 0.29 -0.12 -0.70 0.02 0.00 0.00 176.35 175.85 1cqg s GLU 56 N -1.19 3.32 -0.03 1.70 2.12 -0.44 -0.83 118.70 123.35 1cqg s GLU 56 Ca 0.14 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.84 1cqg s GLU 56 Cb -0.11 -2.63 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 1cqg s GLU 56 CO 0.04 0.26 -0.14 0.08 -0.54 0.00 0.00 175.26 174.96 1cqg s VAL 57 N 0.23 1.18 -0.28 3.70 1.01 -0.04 -2.37 120.40 123.82 1cqg s VAL 57 Ca -0.08 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1cqg s VAL 57 Cb -0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1cqg s VAL 57 CO 0.05 0.34 0.21 -0.62 0.00 0.00 0.00 175.10 175.09 1cqg s ASP 58 N 0.00 6.05 0.39 3.32 -1.08 -1.26 -1.75 116.67 122.33 1cqg s ASP 58 Ca -0.01 0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.32 1cqg s ASP 58 Cb -0.09 -2.13 1.23 0.00 -1.46 0.00 0.00 42.92 40.46 1cqg s ASP 58 CO 0.01 -0.07 1.84 -0.37 0.52 0.00 0.00 175.17 177.10 1cqg h VAL 59 N 5.37 0.00 0.07 1.11 -1.51 -1.80 0.98 116.25 120.46 1cqg h VAL 59 Ca -0.35 -0.28 -0.37 0.00 -1.23 0.00 0.00 66.70 64.47 1cqg h VAL 59 Cb 1.19 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 31.39 1cqg h VAL 59 CO 0.56 0.00 -2.18 0.47 -1.23 0.00 0.00 177.57 175.19 1cqg n ASP 60 N -2.56 2.05 0.02 4.19 9.92 -1.26 -3.06 116.55 125.85 1cqg n ASP 60 Ca 0.01 0.08 0.11 0.00 -0.53 0.00 0.00 54.79 54.46 1cqg n ASP 60 Cb 0.22 -0.69 -0.08 0.00 -0.64 0.00 0.00 41.12 39.93 1cqg n ASP 60 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1cqg n ASP 61 N -3.46 0.45 -2.19 -2.24 8.00 -1.17 -4.18 116.55 111.77 1cqg n ASP 61 Ca -0.38 -0.17 -0.20 0.00 0.71 0.00 0.00 54.79 54.74 1cqg n ASP 61 Cb 1.00 1.27 0.02 0.00 -0.02 0.00 0.00 41.12 43.40 1cqg n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cqg n ALA 62 N -2.00 4.59 0.34 2.24 0.00 0.34 -4.78 120.51 121.23 1cqg n ALA 62 Ca -0.00 -3.64 0.22 0.00 0.00 0.00 0.00 53.44 50.02 1cqg n ALA 62 Cb 0.49 -0.43 1.21 0.00 0.00 0.00 0.00 19.45 20.71 1cqg n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1cqg h GLN 63 N 2.28 0.00 -0.57 0.00 3.07 -1.47 -1.41 115.11 117.02 1cqg h GLN 63 Ca 0.27 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.93 1cqg h GLN 63 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.99 1cqg h GLN 63 CO 0.66 0.00 0.02 0.38 0.09 0.00 0.00 178.83 179.99 1cqg h ASP 64 N 0.00 0.93 -0.15 0.06 3.04 -1.87 0.31 116.42 118.74 1cqg h ASP 64 Ca -0.00 -0.24 -0.16 0.00 -3.24 0.00 0.00 57.03 53.39 1cqg h ASP 64 Cb 0.00 -0.25 0.01 0.00 -1.04 0.00 0.00 39.33 38.05 1cqg h ASP 64 CO 0.00 0.98 -0.53 0.58 -2.04 0.00 0.00 179.24 178.23 1cqg h VAL 65 N 0.89 1.33 -0.27 4.15 2.07 -1.61 -2.89 116.25 119.93 1cqg h VAL 65 Ca 0.17 -1.79 -0.14 0.00 0.82 0.00 0.00 66.70 65.75 1cqg h VAL 65 Cb 0.49 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1cqg h VAL 65 CO 0.02 0.55 -0.39 0.00 0.02 0.00 0.00 177.57 177.77 1cqg h ALA 66 N 0.53 0.41 -0.61 1.67 0.00 -1.38 -2.75 119.26 117.13 1cqg h ALA 66 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cqg h ALA 66 Cb 1.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1cqg h ALA 66 CO 0.11 0.50 0.40 0.66 0.00 0.00 0.00 179.25 180.92 1cqg h SER 67 N 0.47 0.70 -0.66 0.00 4.64 -0.46 0.28 113.55 118.53 1cqg h SER 67 Ca 0.03 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 1cqg h SER 67 Cb 0.98 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1cqg h SER 67 CO 0.09 0.52 0.16 -0.08 -0.87 0.00 0.00 176.83 176.65 1cqg h GLU 68 N 0.83 1.07 -0.02 4.77 4.81 -1.39 -2.36 114.58 122.30 1cqg h GLU 68 Ca 0.22 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1cqg h GLU 68 Cb -0.08 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.15 1cqg h GLU 68 CO -0.05 0.95 0.00 0.00 -0.73 0.00 0.00 179.01 179.18 1cqg n ALA 69 N -2.46 2.61 -3.69 2.92 0.00 -0.42 -4.93 120.51 114.53 1cqg n ALA 69 Ca 0.05 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1cqg n ALA 69 Cb 0.25 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.47 1cqg n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cqg n GLU 70 N -0.21 -4.94 -2.01 0.00 4.71 -0.05 -4.86 120.64 113.29 1cqg n GLU 70 Ca 0.20 0.63 -0.42 0.00 -0.01 0.00 0.00 57.16 57.56 1cqg n GLU 70 Cb 0.27 -5.20 -0.03 0.00 -1.01 0.00 0.00 31.44 25.47 1cqg n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1cqg s VAL 71 N -3.66 2.76 -0.47 2.62 1.01 -1.12 -4.88 120.40 116.67 1cqg s VAL 71 Ca 0.00 0.58 0.17 0.00 0.00 0.00 0.00 61.98 62.73 1cqg s VAL 71 Cb -0.00 -3.37 -0.23 0.00 0.00 0.00 0.00 36.38 32.78 1cqg s VAL 71 CO 0.81 0.06 0.58 0.29 0.00 0.00 0.00 175.10 176.84 1cqg n LYS 72 N 3.42 0.97 -3.52 2.72 4.76 -1.26 -5.01 118.16 120.23 1cqg n LYS 72 Ca 0.11 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 1cqg n LYS 72 Cb 0.40 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 32.18 1cqg n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cqg s ALA 73 N -2.89 -1.79 0.13 7.82 0.00 -1.26 -5.18 121.76 118.60 1cqg s ALA 73 Ca 0.01 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1cqg s ALA 73 Cb 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1cqg s ALA 73 CO 0.72 -0.44 -0.16 0.95 0.00 0.00 0.00 175.76 176.83 1cqg s THR 74 N -1.71 1.53 0.29 0.00 -4.23 -1.26 -4.10 115.64 106.16 1cqg s THR 74 Ca -0.06 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.40 1cqg s THR 74 Cb -0.00 -1.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 1cqg s THR 74 CO 0.03 -0.35 1.04 -2.16 -0.54 0.00 0.00 174.62 172.65 1cqg s PRO 75 N -2.64 4.62 -0.02 3.99 0.04 -1.26 -4.93 135.00 134.80 1cqg s PRO 75 Ca 0.11 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1cqg s PRO 75 Cb -0.06 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 1cqg s PRO 75 CO 0.04 0.24 -0.17 0.99 0.04 0.00 0.00 177.00 178.14 1cqg s THR 76 N -1.27 1.36 -0.12 1.26 2.01 -0.31 -3.00 115.64 115.57 1cqg s THR 76 Ca 0.46 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 1cqg s THR 76 Cb -0.28 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1cqg s THR 76 CO 0.36 0.39 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.21 1cqg s PHE 77 N -0.33 2.86 -0.02 4.92 0.08 -0.37 0.07 117.98 125.19 1cqg s PHE 77 Ca 0.05 -0.46 0.07 0.00 0.12 0.00 0.00 56.93 56.71 1cqg s PHE 77 Cb -0.07 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1cqg s PHE 77 CO -0.00 -0.08 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.16 1cqg s GLN 78 N 0.15 1.80 -0.16 0.44 -0.21 -0.16 -1.57 119.66 119.95 1cqg s GLN 78 Ca -0.05 -0.79 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 1cqg s GLN 78 Cb -0.15 -1.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.09 1cqg s GLN 78 CO 0.04 0.47 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.62 1cqg s PHE 79 N -0.51 3.08 0.03 0.91 0.40 0.55 -0.25 117.98 122.19 1cqg s PHE 79 Ca 0.08 -0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 1cqg s PHE 79 Cb -0.09 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 1cqg s PHE 79 CO -0.01 0.00 -0.23 -0.06 0.70 0.00 0.00 175.22 175.62 1cqg s PHE 80 N 0.40 2.03 -0.10 0.36 0.40 0.20 -1.48 117.98 119.79 1cqg s PHE 80 Ca -0.02 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1cqg s PHE 80 Cb -0.14 -1.24 0.04 0.00 0.51 0.00 0.00 43.02 42.19 1cqg s PHE 80 CO 0.02 0.07 0.24 0.21 0.70 0.00 0.00 175.22 176.45 1cqg s LYS 81 N -1.01 0.20 -1.72 0.44 2.20 0.16 -1.84 119.74 118.17 1cqg s LYS 81 Ca 0.09 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1cqg s LYS 81 Cb -0.09 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1cqg s LYS 81 CO 0.01 -0.16 0.00 1.63 -0.36 0.00 0.00 175.35 176.48 1cqg n LYS 82 N 4.15 -1.71 -1.08 4.03 5.02 -1.12 0.06 118.16 127.51 1cqg n LYS 82 Ca -0.25 0.97 -0.03 0.00 -2.02 0.00 0.00 58.31 56.99 1cqg n LYS 82 Cb 0.53 -5.56 -0.01 0.00 -0.02 0.00 0.00 35.03 29.97 1cqg n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cqg n GLY 83 N -0.83 0.61 3.22 0.72 0.00 -1.26 -5.02 105.19 102.62 1cqg n GLY 83 Ca -0.22 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1cqg n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cqg s GLN 84 N -1.79 1.88 -0.12 1.61 -1.52 0.11 -5.11 119.66 114.71 1cqg s GLN 84 Ca 0.00 -0.76 -0.29 0.00 -1.95 0.00 0.00 55.36 52.35 1cqg s GLN 84 Cb 0.00 -1.74 -0.01 0.00 -0.22 0.00 0.00 33.01 31.04 1cqg s GLN 84 CO 0.00 0.41 1.03 0.21 -0.25 0.00 0.00 175.29 176.70 1cqg s LYS 85 N -0.36 4.39 0.00 2.91 2.20 -1.26 0.35 119.74 127.97 1cqg s LYS 85 Ca 0.04 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1cqg s LYS 85 Cb -0.10 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1cqg s LYS 85 CO 0.00 -0.38 0.80 1.33 -0.36 0.00 0.00 175.35 176.74 1cqg n VAL 86 N 4.69 0.63 0.00 4.02 0.24 -0.55 -4.95 118.33 122.41 1cqg n VAL 86 Ca 0.10 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1cqg n VAL 86 Cb 0.48 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 1cqg n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cqg n GLY 87 N -0.31 0.85 3.55 7.63 0.00 -1.24 -4.98 105.19 110.69 1cqg n GLY 87 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1cqg n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cqg s GLU 88 N -2.00 0.83 0.11 1.61 2.12 -1.26 -0.33 118.70 119.78 1cqg s GLU 88 Ca 0.00 0.21 -0.25 0.00 0.36 0.00 0.00 54.97 55.29 1cqg s GLU 88 Cb 0.00 0.39 0.08 0.00 0.26 0.00 0.00 34.13 34.86 1cqg s GLU 88 CO 0.00 -0.26 0.74 -0.59 -0.54 0.00 0.00 175.26 174.61 1cqg s PHE 89 N -1.13 -0.40 0.23 5.30 -0.12 -0.61 -5.01 117.98 116.24 1cqg s PHE 89 Ca -0.06 0.19 0.07 0.00 -0.05 0.00 0.00 56.93 57.07 1cqg s PHE 89 Cb -0.00 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1cqg s PHE 89 CO 0.06 -0.78 -0.09 -1.54 -0.05 0.00 0.00 175.22 172.81 1cqg s SER 90 N -2.69 2.52 0.00 1.98 1.04 -1.26 -1.24 113.70 114.05 1cqg s SER 90 Ca 0.04 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1cqg s SER 90 Cb -0.02 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1cqg s SER 90 CO -0.08 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1cqg n GLY 91 N -0.45 3.40 2.66 7.32 0.00 -1.16 -4.86 105.19 112.09 1cqg n GLY 91 Ca -0.07 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 1cqg n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cqg n ALA 92 N 0.02 5.46 -3.91 4.61 0.00 -1.26 -4.78 120.51 120.66 1cqg n ALA 92 Ca 0.00 -3.22 -0.33 0.00 0.00 0.00 0.00 53.44 49.89 1cqg n ALA 92 Cb 0.00 -3.39 -0.13 0.00 0.00 0.00 0.00 19.45 15.93 1cqg n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1cqg s ASN 93 N 3.33 4.82 0.25 0.00 3.04 -1.26 -4.95 114.94 120.16 1cqg s ASN 93 Ca 0.54 -2.47 0.02 0.00 0.04 0.00 0.00 52.86 50.99 1cqg s ASN 93 Cb 0.14 -1.71 0.30 0.00 -1.54 0.00 0.00 41.25 38.45 1cqg s ASN 93 CO -0.03 -0.37 1.62 0.07 -3.04 0.00 0.00 177.10 175.35 1cqg h LYS 94 N 7.31 0.39 -0.01 0.43 -0.00 -1.97 -2.82 116.57 119.90 1cqg h LYS 94 Ca -0.07 -0.21 -0.02 0.00 -0.00 0.00 0.00 60.65 60.35 1cqg h LYS 94 Cb 0.98 0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 33.22 1cqg h LYS 94 CO 0.63 0.77 -0.11 0.93 -0.00 0.00 0.00 179.45 181.67 1cqg h GLU 95 N 0.32 0.01 -0.39 0.07 4.39 -2.00 -1.33 114.58 115.64 1cqg h GLU 95 Ca 0.02 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1cqg h GLU 95 Cb 0.92 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1cqg h GLU 95 CO 0.08 0.12 0.15 -0.22 -1.16 0.00 0.00 179.01 177.97 1cqg h LYS 96 N 0.01 0.55 -1.00 2.33 3.64 -1.92 -1.70 116.57 118.48 1cqg h LYS 96 Ca 0.00 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 96 Cb 0.20 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1cqg h LYS 96 CO 0.01 0.47 0.66 -0.07 -2.27 0.00 0.00 179.45 178.26 1cqg h LEU 97 N 0.55 1.15 -0.58 5.20 3.38 -1.32 -2.22 115.31 121.48 1cqg h LEU 97 Ca 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1cqg h LEU 97 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1cqg h LEU 97 CO -0.01 0.83 0.31 -0.08 0.09 0.00 0.00 178.44 179.58 1cqg h GLU 98 N 1.35 0.81 -0.29 1.13 4.22 -1.34 -1.64 114.58 118.82 1cqg h GLU 98 Ca 0.37 -0.10 -0.08 0.00 0.08 0.00 0.00 59.36 59.63 1cqg h GLU 98 Cb -0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1cqg h GLU 98 CO -0.08 0.62 -0.13 0.00 -2.18 0.00 0.00 179.01 177.23 1cqg h ALA 99 N 1.14 0.40 -0.67 2.92 0.00 -1.33 -2.01 119.26 119.72 1cqg h ALA 99 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1cqg h ALA 99 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1cqg h ALA 99 CO -0.03 0.28 0.09 1.15 0.00 0.00 0.00 179.25 180.74 1cqg h THR 100 N 0.34 1.27 -0.05 0.00 2.02 -1.31 0.12 112.91 115.30 1cqg h THR 100 Ca 0.06 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1cqg h THR 100 Cb 0.65 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1cqg h THR 100 CO 0.04 0.40 0.03 0.40 0.37 0.00 0.00 175.52 176.76 1cqg h ILE 101 N 1.04 1.05 -0.48 3.11 2.04 -1.27 0.51 117.51 123.51 1cqg h ILE 101 Ca 0.20 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1cqg h ILE 101 Cb 0.47 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1cqg h ILE 101 CO 0.02 0.04 0.31 -1.13 0.00 0.00 0.00 178.15 177.39 1cqg h ASN 102 N 0.02 0.55 -0.50 1.72 -0.73 -1.12 0.96 115.58 116.48 1cqg h ASN 102 Ca 0.02 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1cqg h ASN 102 Cb 0.04 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1cqg h ASN 102 CO -0.00 0.41 -0.18 -0.08 -0.37 0.00 0.00 177.43 177.20 1cqg h GLU 103 N 0.65 1.02 -0.02 6.67 4.81 0.31 -3.15 114.58 124.86 1cqg h GLU 103 Ca 0.17 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1cqg h GLU 103 Cb -0.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1cqg h GLU 103 CO -0.04 1.10 -0.35 1.28 -0.73 0.00 0.00 179.01 180.28 1cqg n LEU 104 N -4.12 2.12 0.00 1.64 4.77 0.07 -5.08 117.00 116.40 1cqg n LEU 104 Ca 0.00 -0.75 0.02 0.00 -0.03 0.00 0.00 56.01 55.25 1cqg n LEU 104 Cb 0.44 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.65 1cqg n LEU 104 CO 0.46 0.38 0.37 0.55 -1.33 0.00 0.00 177.39 177.83