#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 5.33 -0.07 1.12 1.01 -1.26 -3.79 120.40 122.74 1cqg s VAL 2 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1cqg s VAL 2 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1cqg s VAL 2 CO 0.00 0.33 -0.10 -0.75 0.00 0.00 0.00 175.10 174.58 1cqg s LYS 3 N -1.88 1.48 -0.22 2.72 2.47 -0.73 -5.03 119.74 118.56 1cqg s LYS 3 Ca 0.28 -0.32 -0.13 0.00 -1.56 0.00 0.00 55.97 54.24 1cqg s LYS 3 Cb -0.13 -1.31 -0.04 0.00 -1.46 0.00 0.00 37.83 34.88 1cqg s LYS 3 CO 0.18 -0.04 0.28 -1.14 0.16 0.00 0.00 175.35 174.78 1cqg s GLN 4 N 0.89 4.13 -0.31 4.03 0.74 -1.26 -1.08 119.66 126.79 1cqg s GLN 4 Ca -0.11 -0.02 -0.10 0.00 0.05 0.00 0.00 55.36 55.18 1cqg s GLN 4 Cb -0.15 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.41 1cqg s GLN 4 CO 0.01 0.01 0.16 0.42 -0.55 0.00 0.00 175.29 175.35 1cqg s ILE 5 N 1.18 4.71 -2.94 -2.34 -1.09 -0.93 -4.93 121.20 114.86 1cqg s ILE 5 Ca 0.13 -0.37 0.24 0.00 -2.23 0.00 0.00 60.65 58.42 1cqg s ILE 5 Cb -0.14 -3.40 0.21 0.00 -1.58 0.00 0.00 42.46 37.55 1cqg s ILE 5 CO 0.06 0.06 1.29 -0.62 -1.23 0.00 0.00 174.94 174.50 1cqg n GLU 6 N 5.00 2.25 -3.67 2.79 -0.58 -1.26 -4.45 120.64 120.72 1cqg n GLU 6 Ca -0.14 -1.84 -0.12 0.00 -0.42 0.00 0.00 57.16 54.65 1cqg n GLU 6 Cb 0.49 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 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 -0.26 0.39 1.62 1.04 -1.26 -4.47 113.70 108.74 1cqg s SER 7 Ca 0.28 -0.07 0.10 0.00 0.48 0.00 0.00 55.95 56.74 1cqg s SER 7 Cb 0.20 0.42 0.78 0.00 0.10 0.00 0.00 66.02 67.52 1cqg s SER 7 CO 0.31 -0.69 1.90 0.50 0.98 0.00 0.00 173.24 176.24 1cqg h LYS 8 N 2.93 0.17 -0.26 4.02 3.64 -1.92 -1.91 116.57 123.25 1cqg h LYS 8 Ca -0.32 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1cqg h LYS 8 Cb 1.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1cqg h LYS 8 CO 0.44 0.37 0.12 1.15 -2.27 0.00 0.00 179.45 179.26 1cqg h THR 9 N 0.16 0.98 0.00 1.00 2.02 -1.98 -0.83 112.91 114.25 1cqg h THR 9 Ca 0.03 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1cqg h THR 9 Cb 0.44 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1cqg h THR 9 CO 0.03 0.05 -0.42 0.00 0.37 0.00 0.00 175.52 175.54 1cqg h ALA 10 N 1.14 1.18 -0.57 6.16 0.00 -1.90 -2.78 119.26 122.49 1cqg h ALA 10 Ca 0.11 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1cqg h ALA 10 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1cqg h ALA 10 CO -0.08 0.53 0.37 0.35 0.00 0.00 0.00 179.25 180.42 1cqg h PHE 11 N 0.00 0.72 -0.49 0.00 3.57 -0.38 0.44 116.94 120.79 1cqg h PHE 11 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1cqg h PHE 11 Cb 0.81 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1cqg h PHE 11 CO 0.00 0.45 0.11 1.96 -2.23 0.00 0.00 178.31 178.60 1cqg h GLN 12 N 0.77 0.80 -0.45 1.11 1.08 -1.13 -1.73 115.11 115.55 1cqg h GLN 12 Ca 0.21 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1cqg h GLN 12 Cb -0.09 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 1cqg h GLN 12 CO -0.04 0.78 -0.00 0.93 -0.95 0.00 0.00 178.83 179.54 1cqg h GLU 13 N 0.68 0.74 -0.40 1.46 4.39 -1.11 -2.29 114.58 118.05 1cqg h GLU 13 Ca 0.15 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1cqg h GLU 13 Cb 0.35 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1cqg h GLU 13 CO 0.00 0.75 -0.16 0.00 -1.16 0.00 0.00 179.01 178.44 1cqg h ALA 14 N 1.30 0.55 -0.98 3.43 0.00 0.17 -1.08 119.26 122.65 1cqg h ALA 14 Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 14 Cb 0.43 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1cqg h ALA 14 CO 0.02 0.48 0.64 -0.07 0.00 0.00 0.00 179.25 180.31 1cqg h LEU 15 N 0.61 1.14 -0.73 0.00 3.38 -1.09 -1.49 115.31 117.15 1cqg h LEU 15 Ca 0.09 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1cqg h LEU 15 Cb 0.71 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1cqg h LEU 15 CO 0.05 0.84 -0.26 -0.78 0.09 0.00 0.00 178.44 178.39 1cqg h ASP 16 N 1.34 0.71 -0.45 -0.43 1.82 -1.17 -3.10 116.42 115.14 1cqg h ASP 16 Ca 0.36 -0.26 -0.12 0.00 -0.39 0.00 0.00 57.03 56.62 1cqg h ASP 16 Cb -0.13 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.67 1cqg h ASP 16 CO -0.07 0.94 -0.18 0.00 -1.61 0.00 0.00 179.24 178.31 1cqg h ALA 17 N 1.11 0.77 -0.21 -0.78 0.00 -0.37 -2.76 119.26 117.03 1cqg h ALA 17 Ca 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cqg h ALA 17 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1cqg h ALA 17 CO 0.06 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.06 1cqg h ALA 18 N 0.96 1.77 -0.55 0.00 0.00 -1.23 -3.47 119.26 116.74 1cqg h ALA 18 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cqg h ALA 18 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1cqg h ALA 18 CO 0.06 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1cqg n GLY 19 N -1.37 2.78 0.66 0.00 0.00 -1.04 -2.18 105.19 104.04 1cqg n GLY 19 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 7.48 2.00 -4.79 1.61 8.00 -1.26 -3.23 116.55 126.36 1cqg n ASP 20 Ca 0.00 -1.75 -0.35 0.00 0.71 0.00 0.00 54.79 53.39 1cqg n ASP 20 Cb 0.00 -0.12 -0.04 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 -1.76 4.08 0.89 -1.24 1.02 -0.92 -4.76 119.74 117.04 1cqg s LYS 21 Ca 0.33 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.60 1cqg s LYS 21 Cb 0.19 -2.35 0.12 0.00 -0.52 0.00 0.00 37.83 35.27 1cqg s LYS 21 CO 0.28 -0.20 1.10 -0.11 -0.92 0.00 0.00 175.35 175.50 1cqg n LEU 22 N -0.42 3.35 -3.53 3.17 0.00 -1.26 -4.60 117.00 113.70 1cqg n LEU 22 Ca 0.07 0.47 -0.16 0.00 0.00 0.00 0.00 56.01 56.38 1cqg n LEU 22 Cb 0.51 -1.46 -0.13 0.00 0.00 0.00 0.00 43.42 42.34 1cqg n LEU 22 CO 0.42 -2.15 -0.17 -0.69 0.00 0.00 0.00 177.39 174.79 1cqg s VAL 23 N -2.46 -0.37 -0.09 1.96 1.01 -0.80 -2.17 120.40 117.48 1cqg s VAL 23 Ca 0.68 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 1cqg s VAL 23 Cb -0.25 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1cqg s VAL 23 CO 0.57 -0.10 0.16 -0.69 0.00 0.00 0.00 175.10 175.04 1cqg s VAL 24 N 2.37 5.47 -0.13 2.92 1.01 -0.53 -0.90 120.40 130.62 1cqg s VAL 24 Ca 0.06 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1cqg s VAL 24 Cb -0.15 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1cqg s VAL 24 CO -0.11 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 174.69 1cqg s VAL 25 N -1.10 1.62 -0.32 2.92 1.01 0.43 -0.25 120.40 124.71 1cqg s VAL 25 Ca 0.18 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 1cqg s VAL 25 Cb -0.12 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1cqg s VAL 25 CO 0.08 0.47 0.21 -0.62 0.00 0.00 0.00 175.10 175.23 1cqg s ASP 26 N 1.11 5.93 -0.24 3.32 2.15 -0.22 -1.27 116.67 127.45 1cqg s ASP 26 Ca -0.03 -0.34 0.07 0.00 0.43 0.00 0.00 52.55 52.68 1cqg s ASP 26 Cb -0.14 -2.10 0.55 0.00 -0.30 0.00 0.00 42.92 40.92 1cqg s ASP 26 CO -0.04 -0.18 1.52 0.49 -0.17 0.00 0.00 175.17 176.78 1cqg n PHE 27 N 5.07 1.81 -1.72 -5.34 3.72 -0.09 0.36 117.46 121.27 1cqg n PHE 27 Ca -0.13 -0.92 -0.37 0.00 -0.05 0.00 0.00 57.45 55.97 1cqg n PHE 27 Cb 0.50 -0.55 0.06 0.00 -0.94 0.00 0.00 39.48 38.56 1cqg n PHE 27 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1cqg n SER 28 N -0.03 2.10 -4.68 4.37 7.64 -1.24 -4.35 113.62 117.44 1cqg n SER 28 Ca 0.30 0.86 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 1cqg n SER 28 Cb 1.11 -1.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.72 1cqg n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cqg s ALA 29 N -1.37 3.48 0.38 -0.43 0.00 -1.26 -4.11 121.76 118.45 1cqg s ALA 29 Ca 0.80 0.04 0.12 0.00 0.00 0.00 0.00 51.96 52.92 1cqg s ALA 29 Cb -0.39 -3.17 0.77 0.00 0.00 0.00 0.00 23.12 20.34 1cqg s ALA 29 CO 0.42 -0.54 1.86 0.00 0.00 0.00 0.00 175.76 177.50 1cqg h THR 30 N 5.11 1.23 0.00 0.00 1.03 -1.92 -1.55 112.91 116.81 1cqg h THR 30 Ca -0.32 -1.09 0.00 0.00 -0.01 0.00 0.00 66.41 64.99 1cqg h THR 30 Cb 1.15 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 1cqg h THR 30 CO 0.81 0.32 0.00 -2.67 -0.01 0.00 0.00 175.52 173.97 1cqg n TRP 31 N -4.16 0.72 -2.91 0.00 4.27 -1.26 -4.65 117.44 109.44 1cqg n TRP 31 Ca -0.02 0.24 -0.42 0.00 -3.89 0.00 0.00 57.50 53.41 1cqg n TRP 31 Cb 0.36 -0.89 -0.05 0.00 -1.36 0.00 0.00 31.31 29.38 1cqg n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1cqg h GLY 33 N 9.37 -0.54 2.00 0.00 0.00 -1.85 -0.99 103.07 111.06 1cqg h GLY 33 Ca -0.24 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1cqg h GLY 33 CO 0.88 -0.20 -0.02 -0.56 0.00 0.00 0.00 176.54 176.64 1cqg h PRO 34 N -0.59 0.00 0.00 4.80 0.13 -1.95 -1.59 132.00 132.80 1cqg h PRO 34 Ca -0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 1cqg h PRO 34 Cb 0.44 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.58 1cqg h PRO 34 CO 0.09 0.02 -0.24 0.00 -0.23 0.00 0.00 178.00 177.64 1cqg h ALA 35 N 1.98 0.02 -0.21 -0.56 0.00 -1.81 -3.23 119.26 115.44 1cqg h ALA 35 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cqg h ALA 35 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cqg h ALA 35 CO 0.00 0.08 0.14 -0.22 0.00 0.00 0.00 179.25 179.25 1cqg h LYS 36 N -0.54 0.28 -0.01 0.00 3.64 -0.93 -1.27 116.57 117.74 1cqg h LYS 36 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1cqg h LYS 36 Cb 1.02 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1cqg h LYS 36 CO 0.05 0.19 0.00 1.98 -2.27 0.00 0.00 179.45 179.40 1cqg h MET 37 N 0.29 0.00 0.00 1.90 4.05 -1.31 -0.62 114.93 119.24 1cqg h MET 37 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1cqg h MET 37 Cb -0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1cqg h MET 37 CO -0.02 0.00 0.00 -0.89 0.23 0.00 0.00 176.91 176.23 1cqg n ILE 38 N -4.44 0.01 0.18 1.77 5.41 -0.48 -4.11 119.36 117.70 1cqg n ILE 38 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.79 1cqg n ILE 38 Cb 0.10 -0.51 0.56 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.00 0.16 -0.90 0.38 2.10 -1.19 -2.96 116.57 114.17 1cqg h LYS 39 Ca 0.00 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1cqg h LYS 39 Cb 0.22 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.47 1cqg h LYS 39 CO 0.00 0.13 0.59 -1.35 -2.00 0.00 0.00 179.45 176.83 1cqg h PRO 40 N 0.17 1.16 0.03 0.07 0.11 -1.81 0.81 132.00 132.53 1cqg h PRO 40 Ca 0.04 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1cqg h PRO 40 Cb 0.03 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.88 1cqg h PRO 40 CO -0.01 0.76 -0.01 0.74 -0.21 0.00 0.00 178.00 179.27 1cqg h PHE 41 N 1.19 -0.04 -0.27 0.65 -1.00 -1.84 1.01 116.94 116.65 1cqg h PHE 41 Ca 0.34 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.12 1cqg h PHE 41 Cb -0.09 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1cqg h PHE 41 CO -0.00 0.50 0.18 0.35 -1.61 0.00 0.00 178.31 177.73 1cqg h PHE 42 N -0.60 0.34 -0.34 -0.55 3.57 -1.47 0.89 116.94 118.78 1cqg h PHE 42 Ca -0.00 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1cqg h PHE 42 Cb 0.55 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1cqg h PHE 42 CO 0.11 0.21 -0.22 1.25 -2.23 0.00 0.00 178.31 177.43 1cqg h HIS 43 N 0.36 0.88 -0.58 0.41 2.76 0.63 -3.19 115.15 116.42 1cqg h HIS 43 Ca 0.10 -0.24 -0.09 0.00 -2.20 0.00 0.00 60.37 57.94 1cqg h HIS 43 Cb -0.04 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1cqg h HIS 43 CO -0.06 0.98 0.00 0.77 -1.30 0.00 0.00 177.93 178.32 1cqg h SER 44 N 0.53 0.98 -0.00 3.26 0.02 0.13 -2.64 113.55 115.83 1cqg h SER 44 Ca 0.07 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1cqg h SER 44 Cb 0.78 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1cqg h SER 44 CO 0.06 1.03 0.00 -0.07 -1.14 0.00 0.00 176.83 176.72 1cqg h LEU 45 N 0.92 0.00 -1.48 5.07 3.38 -0.81 -1.70 115.31 120.69 1cqg h LEU 45 Ca 0.17 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1cqg h LEU 45 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1cqg h LEU 45 CO 0.03 0.00 0.45 0.28 0.09 0.00 0.00 178.44 179.29 1cqg h SER 46 N 0.00 0.54 0.66 -0.43 0.02 -1.49 0.21 113.55 113.06 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 0.01 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1cqg h SER 46 CO -0.00 0.33 -0.60 -0.62 -1.14 0.00 0.00 176.83 174.81 1cqg n GLU 47 N -4.48 0.16 0.09 3.45 4.71 -0.65 -2.87 120.64 121.05 1cqg n GLU 47 Ca 0.11 0.04 -0.18 0.00 -0.01 0.00 0.00 57.16 57.12 1cqg n GLU 47 Cb 0.31 -1.59 -0.14 0.00 -1.01 0.00 0.00 31.44 29.00 1cqg n GLU 47 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1cqg h LYS 48 N 0.00 0.30 -2.19 3.49 3.64 -0.70 -3.36 116.57 117.75 1cqg h LYS 48 Ca 0.00 -0.52 -0.59 0.00 -1.27 0.00 0.00 60.65 58.27 1cqg h LYS 48 Cb 0.63 0.19 -0.42 0.00 -0.41 0.00 0.00 32.23 32.23 1cqg h LYS 48 CO 0.00 1.21 -0.66 0.66 -2.27 0.00 0.00 179.45 178.39 1cqg n TYR 49 N -3.53 3.36 0.23 1.91 4.01 0.45 -4.84 117.16 118.75 1cqg n TYR 49 Ca -0.13 -4.07 0.03 0.00 -0.16 0.00 0.00 57.90 53.57 1cqg n TYR 49 Cb 1.04 -0.52 0.13 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.61 0.00 0.22 7.72 3.41 -1.14 -0.18 113.62 124.26 1cqg n SER 50 Ca 0.29 0.30 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1cqg n SER 50 Cb 0.42 -0.35 0.17 0.00 -0.26 0.00 0.00 64.21 64.19 1cqg n SER 50 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1cqg h ASN 51 N 0.00 0.00 -3.49 4.04 -0.73 -1.88 -3.45 115.58 110.06 1cqg h ASN 51 Ca 0.00 0.00 -0.66 0.00 1.87 0.00 0.00 56.30 57.51 1cqg h ASN 51 Cb 0.06 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 38.51 1cqg h ASN 51 CO 0.00 0.00 -0.70 -0.69 -0.37 0.00 0.00 177.43 175.68 1cqg s VAL 52 N -3.21 3.73 -0.28 2.57 1.01 0.75 -4.42 120.40 120.55 1cqg s VAL 52 Ca 0.07 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1cqg s VAL 52 Cb 0.05 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1cqg s VAL 52 CO 0.67 0.23 0.19 -0.63 0.00 0.00 0.00 175.10 175.55 1cqg s ILE 53 N -1.17 5.30 -0.21 2.22 -1.09 -0.92 -4.68 121.20 120.65 1cqg s ILE 53 Ca 0.21 0.17 -0.12 0.00 -2.23 0.00 0.00 60.65 58.68 1cqg s ILE 53 Cb -0.11 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 1cqg s ILE 53 CO 0.13 0.26 0.22 -0.36 -1.23 0.00 0.00 174.94 173.96 1cqg s PHE 54 N 1.69 3.37 -0.01 3.97 0.40 -1.25 -1.45 117.98 124.70 1cqg s PHE 54 Ca 0.07 0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.80 1cqg s PHE 54 Cb -0.16 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 1cqg s PHE 54 CO 0.10 0.13 -0.06 -0.51 0.70 0.00 0.00 175.22 175.59 1cqg s LEU 55 N 0.86 3.23 -0.14 -0.37 1.02 0.66 -1.78 118.68 122.15 1cqg s LEU 55 Ca 0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 1cqg s LEU 55 Cb -0.13 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 1cqg s LEU 55 CO 0.04 0.29 -0.10 -0.70 0.02 0.00 0.00 176.35 175.90 1cqg s GLU 56 N -1.35 3.48 -0.05 1.70 2.12 -0.24 -1.06 118.70 123.30 1cqg s GLU 56 Ca 0.17 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.91 1cqg s GLU 56 Cb -0.11 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.54 1cqg s GLU 56 CO 0.07 0.20 -0.15 0.08 -0.54 0.00 0.00 175.26 174.92 1cqg s VAL 57 N 0.42 1.33 -0.27 3.70 1.01 0.16 -2.18 120.40 124.56 1cqg s VAL 57 Ca -0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1cqg s VAL 57 Cb -0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1cqg s VAL 57 CO 0.04 0.39 0.32 -0.62 0.00 0.00 0.00 175.10 175.23 1cqg s ASP 58 N 0.26 6.19 0.51 3.32 2.15 -1.26 -3.61 116.67 124.23 1cqg s ASP 58 Ca -0.08 0.21 0.34 0.00 0.43 0.00 0.00 52.55 53.44 1cqg s ASP 58 Cb -0.13 -2.18 1.49 0.00 -0.30 0.00 0.00 42.92 41.79 1cqg s ASP 58 CO 0.03 -0.14 2.00 -0.37 -0.17 0.00 0.00 175.17 176.51 1cqg h VAL 59 N 5.38 0.00 0.08 1.11 -1.51 -1.76 1.05 116.25 120.59 1cqg h VAL 59 Ca -0.33 -0.35 -0.32 0.00 -1.23 0.00 0.00 66.70 64.47 1cqg h VAL 59 Cb 1.17 1.28 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 1cqg h VAL 59 CO 0.62 0.00 -1.75 0.47 -1.23 0.00 0.00 177.57 175.68 1cqg n ASP 60 N -2.91 2.03 0.04 4.19 9.92 -1.26 -2.87 116.55 125.68 1cqg n ASP 60 Ca 0.00 0.29 0.11 0.00 -0.53 0.00 0.00 54.79 54.66 1cqg n ASP 60 Cb 0.24 -0.90 -0.08 0.00 -0.64 0.00 0.00 41.12 39.74 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 -3.85 0.40 -1.85 -2.24 9.92 -1.18 -4.12 116.55 113.64 1cqg n ASP 61 Ca -0.33 0.06 -0.21 0.00 -0.53 0.00 0.00 54.79 53.79 1cqg n ASP 61 Cb 0.91 1.27 0.04 0.00 -0.64 0.00 0.00 41.12 42.71 1cqg n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cqg n ALA 62 N -2.16 4.88 0.32 2.24 0.00 0.36 -4.78 120.51 121.37 1cqg n ALA 62 Ca -0.02 -3.72 0.19 0.00 0.00 0.00 0.00 53.44 49.89 1cqg n ALA 62 Cb 0.54 -0.35 1.07 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 2.03 0.00 -0.55 0.00 3.07 -1.40 -0.94 115.11 117.31 1cqg h GLN 63 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.99 1cqg h GLN 63 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.00 1cqg h GLN 63 CO 0.68 0.00 0.02 0.38 0.09 0.00 0.00 178.83 180.01 1cqg h ASP 64 N 0.00 0.90 -0.17 0.06 3.04 -1.86 0.39 116.42 118.77 1cqg h ASP 64 Ca -0.00 -0.23 -0.11 0.00 -3.24 0.00 0.00 57.03 53.45 1cqg h ASP 64 Cb 0.00 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.06 1cqg h ASP 64 CO 0.00 0.94 -0.34 0.58 -2.04 0.00 0.00 179.24 178.39 1cqg h VAL 65 N 0.86 1.35 -0.32 4.15 2.07 -1.51 -2.86 116.25 119.99 1cqg h VAL 65 Ca 0.17 -1.58 -0.17 0.00 0.82 0.00 0.00 66.70 65.93 1cqg h VAL 65 Cb 0.48 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1cqg h VAL 65 CO 0.02 0.48 -0.48 0.00 0.02 0.00 0.00 177.57 177.61 1cqg h ALA 66 N 0.58 0.54 -0.38 1.67 0.00 -1.33 -3.01 119.26 117.32 1cqg h ALA 66 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1cqg h ALA 66 Cb 0.93 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1cqg h ALA 66 CO 0.07 0.68 0.21 0.66 0.00 0.00 0.00 179.25 180.87 1cqg h SER 67 N 0.69 0.46 -0.64 0.00 4.64 -0.25 -0.91 113.55 117.53 1cqg h SER 67 Ca 0.03 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1cqg h SER 67 Cb 1.08 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 1cqg h SER 67 CO 0.11 0.38 0.29 -0.08 -0.87 0.00 0.00 176.83 176.65 1cqg h GLU 68 N 0.53 0.96 -0.01 4.77 4.81 -1.37 -1.93 114.58 122.34 1cqg h GLU 68 Ca 0.14 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1cqg h GLU 68 Cb 0.02 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1cqg h GLU 68 CO -0.02 0.77 0.00 0.00 -0.73 0.00 0.00 179.01 179.02 1cqg n ALA 69 N -2.44 2.58 -3.72 2.92 0.00 -0.47 -4.94 120.51 114.44 1cqg n ALA 69 Ca 0.06 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1cqg n ALA 69 Cb 0.16 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 0.09 -4.83 -1.95 0.00 4.71 -0.48 -4.85 120.64 113.34 1cqg n GLU 70 Ca 0.19 0.61 -0.41 0.00 -0.01 0.00 0.00 57.16 57.54 1cqg n GLU 70 Cb 0.34 -5.14 -0.02 0.00 -1.01 0.00 0.00 31.44 25.60 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 -3.68 2.52 -0.53 2.62 1.01 -1.12 -4.89 120.40 116.32 1cqg s VAL 71 Ca 0.01 0.42 0.15 0.00 0.00 0.00 0.00 61.98 62.57 1cqg s VAL 71 Cb -0.01 -3.27 -0.19 0.00 0.00 0.00 0.00 36.38 32.91 1cqg s VAL 71 CO 0.82 0.06 0.57 0.29 0.00 0.00 0.00 175.10 176.84 1cqg n LYS 72 N 2.58 1.51 -3.50 2.72 4.76 -1.26 -5.01 118.16 119.96 1cqg n LYS 72 Ca 0.08 -0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 1cqg n LYS 72 Cb 0.39 -1.27 -0.04 0.00 -1.84 0.00 0.00 35.03 32.27 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 -2.64 -1.76 0.17 7.82 0.00 -1.26 -5.17 121.76 118.92 1cqg s ALA 73 Ca 0.03 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1cqg s ALA 73 Cb 0.11 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1cqg s ALA 73 CO 0.64 -0.52 -0.17 0.95 0.00 0.00 0.00 175.76 176.66 1cqg s THR 74 N -2.21 1.75 0.31 0.00 -4.23 -1.26 -4.14 115.64 105.86 1cqg s THR 74 Ca -0.04 -1.95 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1cqg s THR 74 Cb -0.01 -1.85 -0.09 0.00 1.34 0.00 0.00 72.50 71.89 1cqg s THR 74 CO -0.01 -0.38 1.00 -2.16 -0.54 0.00 0.00 174.62 172.53 1cqg s PRO 75 N -2.95 4.57 -0.04 3.99 0.04 -1.26 -4.87 135.00 134.47 1cqg s PRO 75 Ca 0.16 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1cqg s PRO 75 Cb -0.05 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1cqg s PRO 75 CO 0.06 0.23 -0.13 0.99 0.04 0.00 0.00 177.00 178.19 1cqg s THR 76 N -1.43 1.12 -0.14 1.26 2.01 -1.26 -2.72 115.64 114.49 1cqg s THR 76 Ca 0.49 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1cqg s THR 76 Cb -0.24 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1cqg s THR 76 CO 0.30 0.34 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.14 1cqg s PHE 77 N 0.26 2.95 -0.02 4.92 0.08 -0.69 -0.91 117.98 124.58 1cqg s PHE 77 Ca -0.06 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.68 1cqg s PHE 77 Cb -0.12 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1cqg s PHE 77 CO 0.02 -0.07 -0.25 -0.65 -0.10 0.00 0.00 175.22 174.17 1cqg s GLN 78 N 0.29 2.03 -0.14 0.44 -0.21 -0.40 -1.96 119.66 119.71 1cqg s GLN 78 Ca -0.06 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.37 1cqg s GLN 78 Cb -0.15 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 1cqg s GLN 78 CO 0.04 0.54 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.67 1cqg s PHE 79 N -0.60 3.09 0.03 0.91 0.40 0.62 -0.43 117.98 121.99 1cqg s PHE 79 Ca 0.10 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.37 1cqg s PHE 79 Cb -0.10 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1cqg s PHE 79 CO -0.01 0.11 -0.19 -0.06 0.70 0.00 0.00 175.22 175.77 1cqg s PHE 80 N 0.09 1.68 -0.11 0.36 0.40 -0.07 -1.38 117.98 118.95 1cqg s PHE 80 Ca 0.01 -0.36 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1cqg s PHE 80 Cb -0.13 -1.02 0.05 0.00 0.51 0.00 0.00 43.02 42.43 1cqg s PHE 80 CO 0.02 0.06 0.26 0.21 0.70 0.00 0.00 175.22 176.48 1cqg s LYS 81 N -1.03 0.21 -1.88 0.44 2.20 0.17 -1.90 119.74 117.95 1cqg s LYS 81 Ca 0.06 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1cqg s LYS 81 Cb -0.08 -0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 1cqg s LYS 81 CO 0.01 -0.18 0.00 1.63 -0.36 0.00 0.00 175.35 176.45 1cqg n LYS 82 N 4.40 -1.64 -1.28 4.03 5.02 -1.20 -0.43 118.16 127.07 1cqg n LYS 82 Ca -0.22 1.06 -0.04 0.00 -2.02 0.00 0.00 58.31 57.09 1cqg n LYS 82 Cb 0.53 -5.68 -0.01 0.00 -0.02 0.00 0.00 35.03 29.84 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 -0.90 0.61 3.10 0.72 0.00 -1.26 -5.03 105.19 102.43 1cqg n GLY 83 Ca -0.24 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.65 1.31 -0.08 1.61 -1.52 0.42 -5.11 119.66 113.64 1cqg s GLN 84 Ca 0.00 -0.50 -0.30 0.00 -1.95 0.00 0.00 55.36 52.61 1cqg s GLN 84 Cb 0.00 -1.21 -0.02 0.00 -0.22 0.00 0.00 33.01 31.56 1cqg s GLN 84 CO 0.00 0.25 1.12 0.21 -0.25 0.00 0.00 175.29 176.62 1cqg s LYS 85 N -0.12 4.38 0.00 2.91 2.20 -1.26 0.43 119.74 128.28 1cqg s LYS 85 Ca 0.01 1.55 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1cqg s LYS 85 Cb -0.08 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1cqg s LYS 85 CO 0.00 -0.39 0.86 1.33 -0.36 0.00 0.00 175.35 176.79 1cqg n VAL 86 N 4.59 0.73 0.00 4.02 0.24 -0.48 -4.94 118.33 122.48 1cqg n VAL 86 Ca 0.10 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1cqg n VAL 86 Cb 0.47 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.36 1.11 3.56 7.63 0.00 -1.23 -4.96 105.19 110.93 1cqg n GLY 87 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 0.72 0.09 1.61 2.12 -1.26 -0.28 118.70 119.70 1cqg s GLU 88 Ca 0.00 0.16 -0.26 0.00 0.36 0.00 0.00 54.97 55.23 1cqg s GLU 88 Cb 0.00 0.34 0.08 0.00 0.26 0.00 0.00 34.13 34.81 1cqg s GLU 88 CO 0.00 -0.23 0.79 -0.59 -0.54 0.00 0.00 175.26 174.70 1cqg s PHE 89 N -1.20 -0.37 0.20 5.30 -0.12 -0.83 -5.01 117.98 115.95 1cqg s PHE 89 Ca -0.04 0.17 0.08 0.00 -0.05 0.00 0.00 56.93 57.09 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 0.03 -0.73 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.79 1cqg s SER 90 N -2.66 2.56 0.00 1.98 1.04 -1.26 -1.70 113.70 113.66 1cqg s SER 90 Ca 0.05 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1cqg s SER 90 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1cqg s SER 90 CO -0.08 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1cqg n GLY 91 N -0.37 3.65 2.68 7.32 0.00 -1.10 -4.90 105.19 112.46 1cqg n GLY 91 Ca -0.08 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.46 5.73 -3.98 4.61 0.00 -1.26 -4.81 120.51 120.33 1cqg n ALA 92 Ca 0.00 -3.72 -0.31 0.00 0.00 0.00 0.00 53.44 49.41 1cqg n ALA 92 Cb 0.00 -3.50 -0.14 0.00 0.00 0.00 0.00 19.45 15.80 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 3.16 4.68 0.24 0.00 3.04 -1.26 -4.96 114.94 119.84 1cqg s ASN 93 Ca 0.52 -2.39 -0.00 0.00 0.04 0.00 0.00 52.86 51.03 1cqg s ASN 93 Cb 0.15 -1.65 0.29 0.00 -1.54 0.00 0.00 41.25 38.50 1cqg s ASN 93 CO -0.07 -0.35 1.64 0.07 -3.04 0.00 0.00 177.10 175.36 1cqg h LYS 94 N 7.33 0.54 0.00 0.43 -0.00 -1.96 -2.73 116.57 120.18 1cqg h LYS 94 Ca -0.05 -0.24 -0.02 0.00 -0.00 0.00 0.00 60.65 60.33 1cqg h LYS 94 Cb 0.99 -0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 33.20 1cqg h LYS 94 CO 0.58 0.81 -0.09 0.93 -0.00 0.00 0.00 179.45 181.67 1cqg h GLU 95 N 0.46 0.00 -0.31 0.07 4.39 -2.00 -1.46 114.58 115.73 1cqg h GLU 95 Ca 0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1cqg h GLU 95 Cb 0.80 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1cqg h GLU 95 CO 0.07 0.09 0.07 -0.22 -1.16 0.00 0.00 179.01 177.85 1cqg h LYS 96 N 0.00 0.45 -0.98 2.33 3.64 -1.91 -1.44 116.57 118.66 1cqg h LYS 96 Ca -0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1cqg h LYS 96 Cb 0.16 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1cqg h LYS 96 CO 0.01 0.42 0.65 -0.07 -2.27 0.00 0.00 179.45 178.19 1cqg h LEU 97 N 0.44 1.10 -0.57 5.20 3.38 -1.33 -2.07 115.31 121.46 1cqg h LEU 97 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1cqg h LEU 97 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1cqg h LEU 97 CO -0.00 0.77 0.34 -0.08 0.09 0.00 0.00 178.44 179.56 1cqg h GLU 98 N 1.28 0.77 -0.25 1.13 4.81 -1.32 -0.02 114.58 120.98 1cqg h GLU 98 Ca 0.38 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1cqg h GLU 98 Cb -0.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1cqg h GLU 98 CO -0.10 0.56 -0.10 0.00 -0.73 0.00 0.00 179.01 178.63 1cqg h ALA 99 N 1.17 0.36 -0.67 2.92 0.00 -1.34 0.26 119.26 121.97 1cqg h ALA 99 Ca 0.20 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1cqg h ALA 99 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1cqg h ALA 99 CO -0.04 0.20 0.15 1.15 0.00 0.00 0.00 179.25 180.71 1cqg h THR 100 N 0.25 1.26 -0.16 0.00 2.02 -1.25 0.69 112.91 115.73 1cqg h THR 100 Ca 0.06 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1cqg h THR 100 Cb 0.60 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1cqg h THR 100 CO 0.03 0.37 0.04 0.40 0.37 0.00 0.00 175.52 176.73 1cqg h ILE 101 N 1.00 1.20 -0.65 3.11 2.04 -0.91 0.81 117.51 124.12 1cqg h ILE 101 Ca 0.21 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1cqg h ILE 101 Cb 0.39 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1cqg h ILE 101 CO 0.01 0.19 0.43 -1.13 0.00 0.00 0.00 178.15 177.64 1cqg h ASN 102 N 0.06 0.74 -0.41 1.72 -0.00 -0.12 1.03 115.58 118.60 1cqg h ASN 102 Ca 0.05 -0.02 -0.15 0.00 -0.00 0.00 0.00 56.30 56.18 1cqg h ASN 102 Cb 0.25 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.38 1cqg h ASN 102 CO 0.00 0.54 -0.33 -0.08 -0.00 0.00 0.00 177.43 177.56 1cqg h GLU 103 N 0.88 0.94 -0.02 6.67 4.57 0.11 -3.21 114.58 124.52 1cqg h GLU 103 Ca 0.24 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1cqg h GLU 103 Cb -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1cqg h GLU 103 CO -0.05 1.13 -0.27 1.28 -1.18 0.00 0.00 179.01 179.92 1cqg n LEU 104 N -4.09 2.20 0.00 1.64 4.77 0.22 -5.07 117.00 116.66 1cqg n LEU 104 Ca -0.02 -0.77 0.04 0.00 -0.03 0.00 0.00 56.01 55.24 1cqg n LEU 104 Cb 0.52 -0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.84 1cqg n LEU 104 CO 0.48 0.39 0.48 0.55 -1.33 0.00 0.00 177.39 177.95