#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 4.42 -0.08 2.03 1.01 -1.26 -4.65 120.40 121.86 1cqg s VAL 2 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1cqg s VAL 2 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1cqg s VAL 2 CO 0.00 -0.23 -0.09 -0.75 0.00 0.00 0.00 175.10 174.03 1cqg s LYS 3 N -4.16 1.48 -0.22 2.72 2.47 -1.17 -5.07 119.74 115.79 1cqg s LYS 3 Ca 0.42 -0.29 -0.15 0.00 -1.56 0.00 0.00 55.97 54.39 1cqg s LYS 3 Cb -0.09 -1.41 -0.04 0.00 -1.46 0.00 0.00 37.83 34.83 1cqg s LYS 3 CO 0.31 -0.13 0.38 -1.14 0.16 0.00 0.00 175.35 174.93 1cqg s GLN 4 N 1.21 4.12 -0.38 4.03 0.74 -1.26 -2.38 119.66 125.75 1cqg s GLN 4 Ca -0.05 0.13 -0.13 0.00 0.05 0.00 0.00 55.36 55.36 1cqg s GLN 4 Cb -0.14 -3.57 0.01 0.00 1.10 0.00 0.00 33.01 30.41 1cqg s GLN 4 CO -0.02 -0.10 0.26 0.42 -0.55 0.00 0.00 175.29 175.29 1cqg s ILE 5 N 1.52 5.13 -2.80 -2.34 -1.09 -1.09 -4.92 121.20 115.62 1cqg s ILE 5 Ca 0.17 -0.54 0.25 0.00 -2.23 0.00 0.00 60.65 58.30 1cqg s ILE 5 Cb -0.15 -3.78 0.30 0.00 -1.58 0.00 0.00 42.46 37.25 1cqg s ILE 5 CO 0.08 -0.19 1.42 -0.62 -1.23 0.00 0.00 174.94 174.40 1cqg n GLU 6 N 5.11 2.06 -3.59 2.79 -0.58 -1.26 -4.47 120.64 120.71 1cqg n GLU 6 Ca -0.12 -1.57 -0.12 0.00 -0.42 0.00 0.00 57.16 54.92 1cqg n GLU 6 Cb 0.48 -1.47 -0.05 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 -2.02 -0.37 0.37 1.62 1.04 -1.26 -4.51 113.70 108.57 1cqg s SER 7 Ca 0.31 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.80 1cqg s SER 7 Cb 0.20 0.49 0.74 0.00 0.10 0.00 0.00 66.02 67.55 1cqg s SER 7 CO 0.32 -0.78 1.91 0.50 0.98 0.00 0.00 173.24 176.17 1cqg h LYS 8 N 2.61 0.32 -0.33 4.02 3.64 -1.92 -1.91 116.57 123.00 1cqg h LYS 8 Ca -0.32 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.04 1cqg h LYS 8 Cb 1.24 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1cqg h LYS 8 CO 0.43 0.42 0.07 1.15 -2.27 0.00 0.00 179.45 179.25 1cqg h THR 9 N 0.31 0.84 -0.06 1.00 2.02 -1.99 -0.30 112.91 114.72 1cqg h THR 9 Ca 0.07 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 1cqg h THR 9 Cb 0.35 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1cqg h THR 9 CO 0.02 0.03 -0.40 0.00 0.37 0.00 0.00 175.52 175.54 1cqg h ALA 10 N 1.24 1.21 -0.56 6.16 0.00 -1.85 -2.93 119.26 122.53 1cqg h ALA 10 Ca 0.15 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 10 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1cqg h ALA 10 CO -0.20 0.55 0.35 0.35 0.00 0.00 0.00 179.25 180.30 1cqg h PHE 11 N 0.12 0.65 -0.67 0.00 3.57 -0.31 0.49 116.94 120.78 1cqg h PHE 11 Ca 0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1cqg h PHE 11 Cb 0.77 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1cqg h PHE 11 CO 0.01 0.38 0.20 1.96 -2.23 0.00 0.00 178.31 178.63 1cqg h GLN 12 N 0.69 1.05 -0.46 1.11 1.08 -1.16 -1.45 115.11 115.99 1cqg h GLN 12 Ca 0.22 -0.23 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 1cqg h GLN 12 Cb -0.00 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 1cqg h GLN 12 CO -0.09 0.92 -0.01 0.93 -0.95 0.00 0.00 178.83 179.63 1cqg h GLU 13 N 0.99 0.76 -0.32 1.46 4.39 -1.11 -1.82 114.58 118.92 1cqg h GLU 13 Ca 0.22 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1cqg h GLU 13 Cb 0.31 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1cqg h GLU 13 CO -0.01 0.77 -0.11 0.00 -1.16 0.00 0.00 179.01 178.51 1cqg h ALA 14 N 1.28 0.44 -0.92 3.43 0.00 0.40 0.04 119.26 123.94 1cqg h ALA 14 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cqg h ALA 14 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1cqg h ALA 14 CO 0.02 0.30 0.57 -0.07 0.00 0.00 0.00 179.25 180.07 1cqg h LEU 15 N 0.40 1.09 -0.90 0.00 3.38 -1.06 -0.36 115.31 117.86 1cqg h LEU 15 Ca 0.08 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1cqg h LEU 15 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1cqg h LEU 15 CO 0.04 0.83 -0.41 -0.78 0.09 0.00 0.00 178.44 178.21 1cqg h ASP 16 N 1.26 0.30 0.21 -0.43 1.82 -1.01 -3.07 116.42 115.50 1cqg h ASP 16 Ca 0.33 -0.13 -0.21 0.00 -0.39 0.00 0.00 57.03 56.64 1cqg h ASP 16 Cb -0.07 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.85 1cqg h ASP 16 CO -0.06 0.68 -0.81 0.00 -1.61 0.00 0.00 179.24 177.44 1cqg h ALA 17 N 1.33 0.46 -0.01 -0.78 0.00 0.04 -3.11 119.26 117.20 1cqg h ALA 17 Ca 0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1cqg h ALA 17 Cb 0.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cqg h ALA 17 CO 0.07 0.76 -0.07 0.00 0.00 0.00 0.00 179.25 180.01 1cqg h ALA 18 N 0.80 1.87 -0.61 0.00 0.00 -1.01 -3.47 119.26 116.84 1cqg h ALA 18 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1cqg h ALA 18 Cb 1.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1cqg h ALA 18 CO 0.15 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1cqg n GLY 19 N -1.32 2.63 0.73 0.00 0.00 -1.18 -2.21 105.19 103.84 1cqg n GLY 19 Ca -0.03 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 6.63 2.19 -4.80 1.61 8.00 -1.26 -3.19 116.55 125.73 1cqg n ASP 20 Ca 0.00 -1.79 -0.34 0.00 0.71 0.00 0.00 54.79 53.37 1cqg n ASP 20 Cb 0.00 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.73 3.73 0.80 -1.24 1.02 -0.94 -4.75 119.74 116.63 1cqg s LYS 21 Ca 0.34 1.29 -0.13 0.00 0.02 0.00 0.00 55.97 57.48 1cqg s LYS 21 Cb 0.19 -2.09 0.08 0.00 -0.52 0.00 0.00 37.83 35.49 1cqg s LYS 21 CO 0.28 -0.48 1.20 -1.17 -0.92 0.00 0.00 175.35 174.26 1cqg s LEU 22 N -3.73 3.15 -0.08 3.17 0.20 -1.26 -4.58 118.68 115.55 1cqg s LEU 22 Ca 0.66 2.32 -0.03 0.00 0.69 0.00 0.00 54.13 57.77 1cqg s LEU 22 Cb -0.15 -4.58 0.04 0.00 -0.43 0.00 0.00 46.19 41.07 1cqg s LEU 22 CO 0.24 -2.58 0.14 -0.69 -0.29 0.00 0.00 176.35 173.17 1cqg s VAL 23 N -2.18 -0.23 -0.09 1.68 1.01 -0.78 -1.92 120.40 117.89 1cqg s VAL 23 Ca 0.72 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 1cqg s VAL 23 Cb -0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1cqg s VAL 23 CO 0.50 0.14 0.02 -0.69 0.00 0.00 0.00 175.10 175.07 1cqg s VAL 24 N 2.27 4.49 -0.15 2.92 1.01 -0.58 -0.67 120.40 129.68 1cqg s VAL 24 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1cqg s VAL 24 Cb -0.12 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1cqg s VAL 24 CO -0.05 0.61 -0.15 -0.69 0.00 0.00 0.00 175.10 174.81 1cqg s VAL 25 N -0.88 1.67 -0.30 2.92 1.01 0.68 -0.26 120.40 125.24 1cqg s VAL 25 Ca 0.13 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1cqg s VAL 25 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1cqg s VAL 25 CO 0.03 0.48 0.27 -0.62 0.00 0.00 0.00 175.10 175.25 1cqg s ASP 26 N 1.42 6.11 -0.25 3.32 2.15 0.02 -1.19 116.67 128.25 1cqg s ASP 26 Ca 0.04 -0.04 0.07 0.00 0.43 0.00 0.00 52.55 53.05 1cqg s ASP 26 Cb -0.13 -2.16 0.55 0.00 -0.30 0.00 0.00 42.92 40.88 1cqg s ASP 26 CO -0.11 -0.16 1.54 0.49 -0.17 0.00 0.00 175.17 176.77 1cqg n PHE 27 N 5.18 1.89 -1.75 -5.34 3.72 0.34 0.49 117.46 121.99 1cqg n PHE 27 Ca -0.12 -1.00 -0.38 0.00 -0.05 0.00 0.00 57.45 55.91 1cqg n PHE 27 Cb 0.51 -0.58 0.05 0.00 -0.94 0.00 0.00 39.48 38.52 1cqg n PHE 27 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1cqg s SER 28 N -0.62 4.99 -0.16 4.37 0.01 -1.23 -4.34 113.70 116.71 1cqg s SER 28 Ca 0.41 2.73 -0.25 0.00 1.31 0.00 0.00 55.95 60.15 1cqg s SER 28 Cb 0.33 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 1cqg s SER 28 CO 0.10 -1.76 0.81 0.00 0.41 0.00 0.00 173.24 172.80 1cqg s ALA 29 N -1.33 3.51 0.37 1.44 0.00 -1.26 -4.15 121.76 120.34 1cqg s ALA 29 Ca 0.76 0.02 0.15 0.00 0.00 0.00 0.00 51.96 52.89 1cqg s ALA 29 Cb -0.40 -3.20 0.83 0.00 0.00 0.00 0.00 23.12 20.35 1cqg s ALA 29 CO 0.45 -0.61 1.87 0.00 0.00 0.00 0.00 175.76 177.47 1cqg h THR 30 N 5.17 1.15 0.00 0.00 1.03 -1.92 -1.83 112.91 116.51 1cqg h THR 30 Ca -0.30 -1.13 0.00 0.00 -0.01 0.00 0.00 66.41 64.97 1cqg h THR 30 Cb 1.14 1.62 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 1cqg h THR 30 CO 0.83 0.31 0.00 4.11 -0.01 0.00 0.00 175.52 180.76 1cqg h TRP 31 N 0.00 0.00 -3.60 0.00 5.08 -2.02 -3.42 115.95 112.00 1cqg h TRP 31 Ca -0.00 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.35 1cqg h TRP 31 Cb 0.59 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.64 1cqg h TRP 31 CO 0.00 0.00 0.41 0.00 -1.28 0.00 0.00 178.44 177.57 1cqg h GLY 33 N 10.08 -0.12 0.11 0.00 0.00 -1.83 -0.10 103.07 111.21 1cqg h GLY 33 Ca -0.25 0.05 0.23 0.00 0.00 0.00 0.00 47.33 47.37 1cqg h GLY 33 CO 0.96 -0.05 0.63 -2.55 0.00 0.00 0.00 176.54 175.53 1cqg h PRO 34 N -0.13 0.43 0.08 4.80 0.11 -1.94 0.25 132.00 135.60 1cqg h PRO 34 Ca -0.01 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.92 1cqg h PRO 34 Cb 0.11 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.14 1cqg h PRO 34 CO 0.01 0.28 -0.65 0.00 -0.21 0.00 0.00 178.00 177.43 1cqg h ALA 35 N 1.61 -0.03 -0.14 -0.75 0.00 -1.74 -3.24 119.26 114.98 1cqg h ALA 35 Ca 0.53 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cqg h ALA 35 Cb 1.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1cqg h ALA 35 CO -0.24 0.32 0.09 -0.22 0.00 0.00 0.00 179.25 179.20 1cqg h LYS 36 N -0.36 0.18 0.00 0.00 3.64 0.19 -0.18 116.57 120.04 1cqg h LYS 36 Ca -0.10 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1cqg h LYS 36 Cb 1.46 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1cqg h LYS 36 CO 0.12 0.12 -0.02 1.98 -2.27 0.00 0.00 179.45 179.38 1cqg h MET 37 N 0.18 0.00 -0.00 1.90 4.05 -0.58 -0.61 114.93 119.87 1cqg h MET 37 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1cqg h MET 37 Cb -0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1cqg h MET 37 CO -0.01 0.02 -0.03 -0.89 0.23 0.00 0.00 176.91 176.23 1cqg n ILE 38 N -4.46 0.00 0.20 1.77 5.41 -0.08 -4.12 119.36 118.08 1cqg n ILE 38 Ca -0.03 -0.01 0.07 0.00 1.00 0.00 0.00 62.75 63.78 1cqg n ILE 38 Cb 0.10 -0.40 0.58 0.00 -0.71 0.00 0.00 39.64 39.21 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 0.12 0.11 -0.86 0.38 2.10 -1.14 -2.86 116.57 114.43 1cqg h LYS 39 Ca 0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1cqg h LYS 39 Cb 0.30 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.56 1cqg h LYS 39 CO 0.00 0.10 0.57 -1.35 -2.00 0.00 0.00 179.45 176.76 1cqg h PRO 40 N 0.12 1.11 0.04 0.07 0.11 -1.80 0.92 132.00 132.56 1cqg h PRO 40 Ca 0.03 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1cqg h PRO 40 Cb 0.02 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 30.88 1cqg h PRO 40 CO -0.00 0.73 -0.02 0.74 -0.21 0.00 0.00 178.00 179.24 1cqg h PHE 41 N 1.14 -0.04 -0.15 0.65 -1.00 -1.82 0.69 116.94 116.40 1cqg h PHE 41 Ca 0.32 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.10 1cqg h PHE 41 Cb -0.10 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 1cqg h PHE 41 CO -0.00 0.50 0.09 0.35 -1.61 0.00 0.00 178.31 177.63 1cqg h PHE 42 N -0.62 0.17 -0.28 -0.55 3.57 -1.44 0.07 116.94 117.85 1cqg h PHE 42 Ca -0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1cqg h PHE 42 Cb 0.56 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1cqg h PHE 42 CO 0.12 0.10 -0.07 1.25 -2.23 0.00 0.00 178.31 177.47 1cqg h HIS 43 N 0.18 0.62 -0.56 0.41 2.76 0.84 -3.04 115.15 116.35 1cqg h HIS 43 Ca 0.06 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1cqg h HIS 43 Cb -0.01 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 1cqg h HIS 43 CO -0.08 0.75 0.24 0.77 -1.30 0.00 0.00 177.93 178.32 1cqg h SER 44 N 0.30 0.72 0.01 3.26 0.02 0.60 -2.17 113.55 116.29 1cqg h SER 44 Ca 0.07 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1cqg h SER 44 Cb 0.56 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1cqg h SER 44 CO 0.03 0.64 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.28 1cqg h LEU 45 N 0.80 0.00 -0.88 5.07 3.38 -0.86 -1.85 115.31 120.96 1cqg h LEU 45 Ca 0.19 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.29 1cqg h LEU 45 Cb 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1cqg h LEU 45 CO -0.02 0.00 0.50 0.28 0.09 0.00 0.00 178.44 179.29 1cqg h SER 46 N 0.00 0.67 1.17 -0.43 0.02 -1.41 0.25 113.55 113.83 1cqg h SER 46 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1cqg h SER 46 Cb 0.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1cqg h SER 46 CO 0.00 0.33 -0.51 -0.33 -1.14 0.00 0.00 176.83 175.18 1cqg h GLU 47 N 0.76 0.00 0.10 3.45 3.07 -1.51 -2.83 114.58 117.62 1cqg h GLU 47 Ca 0.46 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 59.05 1cqg h GLU 47 Cb 0.56 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1cqg h GLU 47 CO -0.31 0.00 -1.17 -0.22 -1.40 0.00 0.00 179.01 175.91 1cqg h LYS 48 N 0.00 0.45 -2.16 2.33 3.11 -0.56 -3.35 116.57 116.40 1cqg h LYS 48 Ca 0.00 -0.62 -0.59 0.00 -2.81 0.00 0.00 60.65 56.63 1cqg h LYS 48 Cb 0.84 0.21 -0.42 0.00 -1.00 0.00 0.00 32.23 31.86 1cqg h LYS 48 CO 0.00 1.26 -0.67 0.66 -2.81 0.00 0.00 179.45 177.89 1cqg n TYR 49 N -3.70 3.04 0.35 1.91 4.01 0.63 -4.87 117.16 118.53 1cqg n TYR 49 Ca -0.10 -4.07 0.04 0.00 -0.16 0.00 0.00 57.90 53.61 1cqg n TYR 49 Cb 0.96 -0.53 0.20 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.93 0.00 -0.48 7.72 3.41 -1.07 -0.68 113.62 123.46 1cqg n SER 50 Ca 0.29 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 1cqg n SER 50 Cb 0.43 -0.39 0.41 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.39 1.44 -4.22 4.04 5.15 -1.26 -4.80 115.26 114.21 1cqg n ASN 51 Ca 0.03 -1.65 -0.24 0.00 -0.60 0.00 0.00 54.58 52.13 1cqg n ASN 51 Cb 0.08 -0.08 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 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 -1.83 1.49 -0.26 3.44 1.01 0.15 -4.47 120.40 119.93 1cqg s VAL 52 Ca 0.32 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1cqg s VAL 52 Cb 0.17 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1cqg s VAL 52 CO 0.26 0.12 0.24 -0.63 0.00 0.00 0.00 175.10 175.09 1cqg s ILE 53 N -0.84 5.29 -0.24 2.22 -1.09 -0.81 -4.94 121.20 120.79 1cqg s ILE 53 Ca 0.05 0.30 -0.09 0.00 -2.23 0.00 0.00 60.65 58.68 1cqg s ILE 53 Cb -0.09 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1cqg s ILE 53 CO 0.02 0.26 0.12 -0.36 -1.23 0.00 0.00 174.94 173.74 1cqg s PHE 54 N 1.59 3.21 -0.07 3.97 0.40 -1.26 -1.52 117.98 124.30 1cqg s PHE 54 Ca 0.10 -0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1cqg s PHE 54 Cb -0.15 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.11 1cqg s PHE 54 CO 0.09 -0.07 -0.07 -0.51 0.70 0.00 0.00 175.22 175.35 1cqg s LEU 55 N 1.18 3.18 -0.15 -0.37 1.02 0.65 -3.05 118.68 121.13 1cqg s LEU 55 Ca 0.06 -0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.16 1cqg s LEU 55 Cb -0.14 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 1cqg s LEU 55 CO 0.05 0.36 -0.05 -0.70 0.02 0.00 0.00 176.35 176.02 1cqg s GLU 56 N -0.83 3.62 -0.03 1.70 2.12 -1.00 -0.80 118.70 123.47 1cqg s GLU 56 Ca 0.13 -0.55 0.05 0.00 0.36 0.00 0.00 54.97 54.95 1cqg s GLU 56 Cb -0.11 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 1cqg s GLU 56 CO 0.02 0.24 -0.18 0.08 -0.54 0.00 0.00 175.26 174.88 1cqg s VAL 57 N 0.35 1.44 -0.26 3.70 1.01 0.18 -2.66 120.40 124.15 1cqg s VAL 57 Ca -0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1cqg s VAL 57 Cb -0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1cqg s VAL 57 CO 0.03 0.41 0.23 -0.62 0.00 0.00 0.00 175.10 175.15 1cqg s ASP 58 N -0.11 6.11 0.43 3.32 -1.08 -1.26 -3.55 116.67 120.53 1cqg s ASP 58 Ca -0.01 0.11 0.30 0.00 -0.52 0.00 0.00 52.55 52.43 1cqg s ASP 58 Cb -0.10 -2.14 1.31 0.00 -1.46 0.00 0.00 42.92 40.53 1cqg s ASP 58 CO 0.01 -0.04 1.89 -0.37 0.52 0.00 0.00 175.17 177.18 1cqg h VAL 59 N 5.26 0.00 0.06 1.11 -1.51 -1.76 0.96 116.25 120.37 1cqg h VAL 59 Ca -0.35 -0.31 -0.37 0.00 -1.23 0.00 0.00 66.70 64.44 1cqg h VAL 59 Cb 1.18 1.16 -0.04 0.00 -2.13 0.00 0.00 31.29 31.46 1cqg h VAL 59 CO 0.60 0.00 -2.14 0.47 -1.23 0.00 0.00 177.57 175.28 1cqg n ASP 60 N -2.69 2.03 0.01 4.19 9.92 -1.26 -2.97 116.55 125.79 1cqg n ASP 60 Ca 0.01 0.12 0.11 0.00 -0.53 0.00 0.00 54.79 54.50 1cqg n ASP 60 Cb 0.23 -0.72 -0.05 0.00 -0.64 0.00 0.00 41.12 39.95 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 -3.58 0.62 -1.91 -2.24 8.00 -1.19 -4.10 116.55 112.16 1cqg n ASP 61 Ca -0.39 -0.43 -0.13 0.00 0.71 0.00 0.00 54.79 54.54 1cqg n ASP 61 Cb 0.97 1.06 0.06 0.00 -0.02 0.00 0.00 41.12 43.19 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 -1.78 4.22 0.32 2.24 0.00 0.33 -4.75 120.51 121.09 1cqg n ALA 62 Ca 0.02 -3.45 0.20 0.00 0.00 0.00 0.00 53.44 50.21 1cqg n ALA 62 Cb 0.42 -0.45 1.11 0.00 0.00 0.00 0.00 19.45 20.53 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 2.01 0.00 -0.68 0.00 3.07 -1.44 -0.60 115.11 117.47 1cqg h GLN 63 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.85 1cqg h GLN 63 Cb 1.42 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.95 1cqg h GLN 63 CO 0.50 0.00 0.13 0.38 0.09 0.00 0.00 178.83 179.93 1cqg h ASP 64 N 0.00 1.05 -0.09 0.06 3.04 -1.86 0.45 116.42 119.07 1cqg h ASP 64 Ca -0.00 -0.24 -0.13 0.00 -3.24 0.00 0.00 57.03 53.42 1cqg h ASP 64 Cb 0.02 -0.28 0.01 0.00 -1.04 0.00 0.00 39.33 38.04 1cqg h ASP 64 CO 0.00 1.02 -0.47 0.58 -2.04 0.00 0.00 179.24 178.34 1cqg h VAL 65 N 1.03 1.38 -0.25 4.15 2.07 -1.47 -2.98 116.25 120.19 1cqg h VAL 65 Ca 0.21 -1.82 -0.17 0.00 0.82 0.00 0.00 66.70 65.73 1cqg h VAL 65 Cb 0.41 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1cqg h VAL 65 CO 0.01 0.54 -0.54 0.00 0.02 0.00 0.00 177.57 177.60 1cqg h ALA 66 N 0.45 0.57 -0.27 1.67 0.00 -1.37 -2.97 119.26 117.35 1cqg h ALA 66 Ca -0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1cqg h ALA 66 Cb 1.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1cqg h ALA 66 CO 0.10 0.68 0.11 0.66 0.00 0.00 0.00 179.25 180.80 1cqg h SER 67 N 0.57 0.33 -0.71 0.00 4.64 -0.16 -1.59 113.55 116.63 1cqg h SER 67 Ca 0.01 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1cqg h SER 67 Cb 1.12 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1cqg h SER 67 CO 0.11 0.30 0.16 -0.08 -0.87 0.00 0.00 176.83 176.46 1cqg h GLU 68 N 0.37 1.14 -0.06 4.77 4.81 -1.36 -2.49 114.58 121.76 1cqg h GLU 68 Ca 0.09 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1cqg h GLU 68 Cb 0.07 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1cqg h GLU 68 CO -0.01 1.01 0.00 0.00 -0.73 0.00 0.00 179.01 179.28 1cqg n ALA 69 N -2.46 2.58 -3.62 2.92 0.00 -0.74 -4.93 120.51 114.25 1cqg n ALA 69 Ca 0.05 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 1cqg n ALA 69 Cb 0.27 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.01 -5.47 -1.96 0.00 -0.58 -0.67 -4.86 120.64 107.09 1cqg n GLU 70 Ca 0.18 0.69 -0.42 0.00 -0.42 0.00 0.00 57.16 57.19 1cqg n GLU 70 Cb 0.29 -5.40 -0.03 0.00 -0.57 0.00 0.00 31.44 25.74 1cqg n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1cqg s VAL 71 N -3.57 2.67 -0.71 2.62 1.01 -1.09 -4.87 120.40 116.46 1cqg s VAL 71 Ca 0.02 0.49 0.16 0.00 0.00 0.00 0.00 61.98 62.66 1cqg s VAL 71 Cb -0.01 -3.31 -0.18 0.00 0.00 0.00 0.00 36.38 32.87 1cqg s VAL 71 CO 0.79 0.04 0.67 0.29 0.00 0.00 0.00 175.10 176.89 1cqg n LYS 72 N 3.76 1.50 -3.48 2.72 4.76 -1.26 -5.00 118.16 121.16 1cqg n LYS 72 Ca 0.13 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 1cqg n LYS 72 Cb 0.39 -1.28 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 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 -2.60 -1.72 0.13 7.82 0.00 -1.26 -5.18 121.76 118.96 1cqg s ALA 73 Ca 0.05 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.00 1cqg s ALA 73 Cb 0.12 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1cqg s ALA 73 CO 0.68 -0.59 -0.13 0.95 0.00 0.00 0.00 175.76 176.67 1cqg s THR 74 N -2.59 1.32 0.26 0.00 -4.23 -1.26 -4.11 115.64 105.03 1cqg s THR 74 Ca -0.03 -1.83 -0.30 0.00 -1.18 0.00 0.00 61.69 58.36 1cqg s THR 74 Cb -0.01 -1.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.11 1cqg s THR 74 CO -0.04 -0.51 1.05 -2.16 -0.54 0.00 0.00 174.62 172.43 1cqg s PRO 75 N -2.98 4.70 -0.04 3.99 0.04 -1.26 -4.88 135.00 134.56 1cqg s PRO 75 Ca 0.12 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.91 1cqg s PRO 75 Cb -0.03 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1cqg s PRO 75 CO 0.03 0.29 -0.19 0.99 0.04 0.00 0.00 177.00 178.16 1cqg s THR 76 N -1.09 1.59 -0.12 1.26 2.01 -1.26 -2.80 115.64 115.23 1cqg s THR 76 Ca 0.44 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1cqg s THR 76 Cb -0.30 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1cqg s THR 76 CO 0.38 0.45 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.29 1cqg s PHE 77 N -0.05 2.84 -0.02 4.92 0.08 -0.68 -0.50 117.98 124.57 1cqg s PHE 77 Ca -0.03 -0.49 0.07 0.00 0.12 0.00 0.00 56.93 56.60 1cqg s PHE 77 Cb -0.12 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1cqg s PHE 77 CO 0.02 -0.11 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.16 1cqg s GLN 78 N 0.15 1.88 -0.13 0.44 -0.21 -0.33 -1.96 119.66 119.50 1cqg s GLN 78 Ca -0.06 -0.84 -0.03 0.00 0.02 0.00 0.00 55.36 54.45 1cqg s GLN 78 Cb -0.15 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 32.01 1cqg s GLN 78 CO 0.04 0.50 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.64 1cqg s PHE 79 N -0.55 3.10 0.08 0.91 0.40 0.81 -0.23 117.98 122.50 1cqg s PHE 79 Ca 0.09 -0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.42 1cqg s PHE 79 Cb -0.09 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1cqg s PHE 79 CO -0.01 0.16 -0.19 -0.06 0.70 0.00 0.00 175.22 175.82 1cqg s PHE 80 N -0.06 1.66 -0.14 0.36 0.40 0.15 -1.87 117.98 118.49 1cqg s PHE 80 Ca 0.03 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.89 1cqg s PHE 80 Cb -0.13 -0.94 0.06 0.00 0.51 0.00 0.00 43.02 42.52 1cqg s PHE 80 CO 0.02 0.15 0.31 0.21 0.70 0.00 0.00 175.22 176.61 1cqg s LYS 81 N -1.68 0.26 -1.77 0.44 2.20 0.13 -1.87 119.74 117.45 1cqg s LYS 81 Ca 0.05 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 1cqg s LYS 81 Cb -0.10 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 1cqg s LYS 81 CO 0.03 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.45 1cqg n LYS 82 N 4.60 -1.63 -1.01 4.03 5.02 -1.19 0.45 118.16 128.42 1cqg n LYS 82 Ca -0.19 0.99 -0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1cqg n LYS 82 Cb 0.52 -5.50 -0.00 0.00 -0.02 0.00 0.00 35.03 30.04 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 -0.67 0.44 3.37 0.72 0.00 -1.26 -5.03 105.19 102.76 1cqg n GLY 83 Ca -0.20 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.42 2.75 -0.18 1.61 -1.52 0.17 -5.10 119.66 115.98 1cqg s GLN 84 Ca 0.00 -0.77 -0.28 0.00 -1.95 0.00 0.00 55.36 52.36 1cqg s GLN 84 Cb 0.00 -2.37 -0.00 0.00 -0.22 0.00 0.00 33.01 30.42 1cqg s GLN 84 CO 0.00 0.43 0.96 0.21 -0.25 0.00 0.00 175.29 176.64 1cqg s LYS 85 N -0.24 4.31 0.00 2.91 2.20 -1.26 0.17 119.74 127.83 1cqg s LYS 85 Ca 0.00 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1cqg s LYS 85 Cb -0.13 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1cqg s LYS 85 CO 0.03 -0.45 0.91 1.33 -0.36 0.00 0.00 175.35 176.81 1cqg n VAL 86 N 4.94 0.82 0.00 4.02 0.24 -0.78 -4.97 118.33 122.60 1cqg n VAL 86 Ca 0.09 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 1cqg n VAL 86 Cb 0.48 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.41 1.08 3.54 7.63 0.00 -1.24 -4.97 105.19 110.82 1cqg n GLY 87 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 0.84 0.10 1.61 2.12 -1.26 -0.13 118.70 119.98 1cqg s GLU 88 Ca 0.00 0.13 -0.25 0.00 0.36 0.00 0.00 54.97 55.21 1cqg s GLU 88 Cb 0.00 0.40 0.08 0.00 0.26 0.00 0.00 34.13 34.87 1cqg s GLU 88 CO 0.00 -0.28 0.74 -0.59 -0.54 0.00 0.00 175.26 174.59 1cqg s PHE 89 N -1.42 -0.42 0.21 5.30 -0.12 -0.83 -5.02 117.98 115.69 1cqg s PHE 89 Ca -0.05 0.21 0.08 0.00 -0.05 0.00 0.00 56.93 57.12 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 0.04 -0.75 -0.15 -1.54 -0.05 0.00 0.00 175.22 172.76 1cqg s SER 90 N -2.67 2.67 0.00 1.98 1.04 -1.26 -1.69 113.70 113.77 1cqg s SER 90 Ca 0.04 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1cqg s SER 90 Cb -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1cqg s SER 90 CO -0.09 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1cqg n GLY 91 N -0.41 3.85 2.54 7.32 0.00 -1.12 -4.90 105.19 112.47 1cqg n GLY 91 Ca -0.08 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.63 6.44 -4.00 4.61 0.00 -1.26 -4.80 120.51 120.87 1cqg n ALA 92 Ca 0.00 -3.68 -0.31 0.00 0.00 0.00 0.00 53.44 49.44 1cqg n ALA 92 Cb 0.00 -3.46 -0.15 0.00 0.00 0.00 0.00 19.45 15.84 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 2.76 4.80 0.31 0.00 3.84 -1.26 -4.97 114.94 120.42 1cqg s ASN 93 Ca 0.58 -2.13 0.07 0.00 0.21 0.00 0.00 52.86 51.58 1cqg s ASN 93 Cb 0.16 -1.64 0.52 0.00 -0.55 0.00 0.00 41.25 39.73 1cqg s ASN 93 CO -0.07 -0.39 1.74 0.07 -2.79 0.00 0.00 177.10 175.66 1cqg h LYS 94 N 7.65 0.24 0.00 0.43 -0.00 -1.96 -2.71 116.57 120.22 1cqg h LYS 94 Ca -0.05 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.65 60.44 1cqg h LYS 94 Cb 1.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.24 1cqg h LYS 94 CO 0.53 0.57 -0.26 0.93 -0.00 0.00 0.00 179.45 181.22 1cqg h GLU 95 N 0.21 0.00 -0.83 0.07 4.39 -2.00 -2.41 114.58 114.01 1cqg h GLU 95 Ca 0.02 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1cqg h GLU 95 Cb 0.73 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 1cqg h GLU 95 CO 0.06 0.26 0.54 -0.22 -1.16 0.00 0.00 179.01 178.49 1cqg h LYS 96 N 0.00 1.10 -0.97 2.33 3.64 -1.91 -1.02 116.57 119.74 1cqg h LYS 96 Ca -0.00 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1cqg h LYS 96 Cb 0.48 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1cqg h LYS 96 CO 0.03 0.73 0.63 -0.07 -2.27 0.00 0.00 179.45 178.50 1cqg h LEU 97 N 1.13 0.98 -0.72 5.20 3.38 -1.51 -1.76 115.31 122.00 1cqg h LEU 97 Ca 0.30 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1cqg h LEU 97 Cb -0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1cqg h LEU 97 CO -0.06 0.62 0.39 -0.08 0.09 0.00 0.00 178.44 179.40 1cqg h GLU 98 N 1.11 1.01 -0.28 1.13 4.81 -1.25 -1.46 114.58 119.65 1cqg h GLU 98 Ca 0.42 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.45 1cqg h GLU 98 Cb 0.21 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1cqg h GLU 98 CO -0.17 0.76 -0.14 0.00 -0.73 0.00 0.00 179.01 178.73 1cqg h ALA 99 N 1.20 0.40 -0.62 2.92 0.00 -1.18 -2.12 119.26 119.86 1cqg h ALA 99 Ca 0.25 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1cqg h ALA 99 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1cqg h ALA 99 CO -0.04 0.28 0.00 1.15 0.00 0.00 0.00 179.25 180.65 1cqg h THR 100 N 0.33 1.27 -0.03 0.00 2.02 -1.27 0.14 112.91 115.38 1cqg h THR 100 Ca 0.06 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1cqg h THR 100 Cb 0.66 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1cqg h THR 100 CO 0.04 0.42 0.02 0.40 0.37 0.00 0.00 175.52 176.77 1cqg h ILE 101 N 0.99 1.04 -0.54 3.11 2.04 -1.25 0.76 117.51 123.67 1cqg h ILE 101 Ca 0.18 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1cqg h ILE 101 Cb 0.56 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1cqg h ILE 101 CO 0.03 0.03 0.36 -1.13 0.00 0.00 0.00 178.15 177.45 1cqg h ASN 102 N -0.01 0.62 -0.55 1.72 -0.73 -1.18 1.12 115.58 116.57 1cqg h ASN 102 Ca 0.01 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.05 1cqg h ASN 102 Cb 0.04 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1cqg h ASN 102 CO -0.00 0.45 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.32 1cqg h GLU 103 N 0.73 1.05 -0.02 6.67 4.81 0.34 -3.13 114.58 125.02 1cqg h GLU 103 Ca 0.20 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1cqg h GLU 103 Cb -0.08 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1cqg h GLU 103 CO -0.04 1.08 -0.18 1.28 -0.73 0.00 0.00 179.01 180.42 1cqg n LEU 104 N -4.14 2.60 0.00 1.64 4.77 0.16 -5.08 117.00 116.95 1cqg n LEU 104 Ca 0.02 -0.91 0.03 0.00 -0.03 0.00 0.00 56.01 55.12 1cqg n LEU 104 Cb 0.41 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.68 1cqg n LEU 104 CO 0.46 0.45 0.42 0.55 -1.33 0.00 0.00 177.39 177.93