#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 4.33 -0.07 2.03 1.01 -1.26 -4.41 120.40 122.03 1cqg s VAL 2 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1cqg s VAL 2 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1cqg s VAL 2 CO 0.00 -0.23 -0.11 -0.75 0.00 0.00 0.00 175.10 174.01 1cqg s LYS 3 N -4.20 1.58 -0.25 2.72 2.47 -0.85 -5.02 119.74 116.19 1cqg s LYS 3 Ca 0.43 -0.36 -0.14 0.00 -1.56 0.00 0.00 55.97 54.34 1cqg s LYS 3 Cb -0.09 -1.37 -0.04 0.00 -1.46 0.00 0.00 37.83 34.87 1cqg s LYS 3 CO 0.32 -0.02 0.34 -1.14 0.16 0.00 0.00 175.35 175.01 1cqg s GLN 4 N 0.82 4.06 -0.30 4.03 0.74 -1.26 -1.26 119.66 126.49 1cqg s GLN 4 Ca -0.12 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.21 1cqg s GLN 4 Cb -0.15 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 1cqg s GLN 4 CO 0.02 -0.17 0.17 0.42 -0.55 0.00 0.00 175.29 175.18 1cqg s ILE 5 N 1.73 4.94 -2.82 -2.34 -1.09 -1.01 -4.94 121.20 115.68 1cqg s ILE 5 Ca 0.15 -0.16 0.24 0.00 -2.23 0.00 0.00 60.65 58.65 1cqg s ILE 5 Cb -0.15 -3.45 0.18 0.00 -1.58 0.00 0.00 42.46 37.46 1cqg s ILE 5 CO 0.09 0.14 1.26 -0.62 -1.23 0.00 0.00 174.94 174.58 1cqg n GLU 6 N 5.03 2.12 -3.60 2.79 4.71 -1.26 -4.46 120.64 125.96 1cqg n GLU 6 Ca -0.14 -1.73 -0.12 0.00 -0.01 0.00 0.00 57.16 55.17 1cqg n GLU 6 Cb 0.50 -1.46 -0.05 0.00 -1.01 0.00 0.00 31.44 29.42 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1cqg s SER 7 N -2.08 -0.32 0.39 1.62 1.04 -1.26 -4.44 113.70 108.65 1cqg s SER 7 Ca 0.27 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.65 1cqg s SER 7 Cb 0.20 0.48 0.80 0.00 0.10 0.00 0.00 66.02 67.60 1cqg s SER 7 CO 0.34 -0.81 1.95 0.50 0.98 0.00 0.00 173.24 176.21 1cqg h LYS 8 N 2.51 0.34 -0.31 4.02 3.64 -1.92 -1.43 116.57 123.42 1cqg h LYS 8 Ca -0.33 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1cqg h LYS 8 Cb 1.25 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1cqg h LYS 8 CO 0.44 0.38 0.11 1.15 -2.27 0.00 0.00 179.45 179.27 1cqg h THR 9 N 0.33 0.93 -0.06 1.00 2.02 -1.98 0.08 112.91 115.23 1cqg h THR 9 Ca 0.07 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1cqg h THR 9 Cb 0.25 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1cqg h THR 9 CO 0.01 0.05 -0.39 0.00 0.37 0.00 0.00 175.52 175.56 1cqg h ALA 10 N 1.19 1.25 -0.63 6.16 0.00 -1.84 -2.43 119.26 122.96 1cqg h ALA 10 Ca 0.13 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 10 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1cqg h ALA 10 CO -0.13 0.53 0.41 0.35 0.00 0.00 0.00 179.25 180.41 1cqg h PHE 11 N 0.10 0.76 -0.51 0.00 3.57 0.02 0.41 116.94 121.29 1cqg h PHE 11 Ca 0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 11 Cb 0.73 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1cqg h PHE 11 CO 0.01 0.46 0.01 1.96 -2.23 0.00 0.00 178.31 178.52 1cqg h GLN 12 N 0.82 0.90 -0.37 1.11 1.08 -0.81 -1.90 115.11 115.93 1cqg h GLN 12 Ca 0.24 -0.28 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1cqg h GLN 12 Cb -0.05 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 1cqg h GLN 12 CO -0.07 0.92 -0.08 0.93 -0.95 0.00 0.00 178.83 179.58 1cqg h GLU 13 N 0.76 0.63 -0.38 1.46 4.39 -0.88 -2.26 114.58 118.31 1cqg h GLU 13 Ca 0.15 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1cqg h GLU 13 Cb 0.50 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1cqg h GLU 13 CO 0.02 0.71 -0.26 0.00 -1.16 0.00 0.00 179.01 178.32 1cqg h ALA 14 N 1.33 0.54 -0.93 3.43 0.00 0.07 -0.73 119.26 122.97 1cqg h ALA 14 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cqg h ALA 14 Cb 0.49 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1cqg h ALA 14 CO 0.03 0.55 0.55 -0.07 0.00 0.00 0.00 179.25 180.30 1cqg h LEU 15 N 0.65 1.13 -0.73 0.00 3.38 -1.12 -1.26 115.31 117.37 1cqg h LEU 15 Ca 0.07 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1cqg h LEU 15 Cb 0.84 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1cqg h LEU 15 CO 0.07 0.88 -0.38 -0.78 0.09 0.00 0.00 178.44 178.32 1cqg h ASP 16 N 1.29 0.55 -0.04 -0.43 3.58 -1.19 -3.06 116.42 117.13 1cqg h ASP 16 Ca 0.33 -0.24 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 1cqg h ASP 16 Cb -0.03 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1cqg h ASP 16 CO -0.06 0.88 -0.41 0.00 -2.88 0.00 0.00 179.24 176.77 1cqg h ALA 17 N 1.15 0.85 -0.31 -0.78 0.00 -0.38 -2.95 119.26 116.84 1cqg h ALA 17 Ca 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1cqg h ALA 17 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1cqg h ALA 17 CO 0.07 0.65 0.05 0.00 0.00 0.00 0.00 179.25 180.02 1cqg h ALA 18 N 1.09 1.53 -0.60 0.00 0.00 -1.16 -3.47 119.26 116.66 1cqg h ALA 18 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cqg h ALA 18 Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1cqg h ALA 18 CO 0.08 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1cqg n GLY 19 N -1.09 2.76 0.61 0.00 0.00 -1.12 -2.13 105.19 104.22 1cqg n GLY 19 Ca 0.01 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 7.05 1.83 -4.80 1.61 8.00 -1.26 -3.13 116.55 125.86 1cqg n ASP 20 Ca 0.00 -1.71 -0.34 0.00 0.71 0.00 0.00 54.79 53.46 1cqg n ASP 20 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.81 3.80 0.88 -1.24 1.02 -0.91 -4.77 119.74 116.72 1cqg s LYS 21 Ca 0.34 1.32 -0.11 0.00 0.02 0.00 0.00 55.97 57.54 1cqg s LYS 21 Cb 0.19 -2.10 0.13 0.00 -0.52 0.00 0.00 37.83 35.53 1cqg s LYS 21 CO 0.28 -0.42 1.16 -1.17 -0.92 0.00 0.00 175.35 174.28 1cqg s LEU 22 N -3.54 2.92 -0.11 3.17 0.20 -1.26 -4.57 118.68 115.48 1cqg s LEU 22 Ca 0.66 2.22 -0.04 0.00 0.69 0.00 0.00 54.13 57.66 1cqg s LEU 22 Cb -0.16 -4.57 0.06 0.00 -0.43 0.00 0.00 46.19 41.09 1cqg s LEU 22 CO 0.21 -2.97 0.23 -0.69 -0.29 0.00 0.00 176.35 172.83 1cqg s VAL 23 N -2.54 -0.36 -0.03 1.68 1.01 -0.61 -2.18 120.40 117.36 1cqg s VAL 23 Ca 0.68 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.97 1cqg s VAL 23 Cb -0.24 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1cqg s VAL 23 CO 0.56 0.13 -0.02 -0.69 0.00 0.00 0.00 175.10 175.08 1cqg s VAL 24 N 2.37 4.07 -0.16 2.92 1.01 -0.80 -0.33 120.40 129.47 1cqg s VAL 24 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1cqg s VAL 24 Cb -0.12 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1cqg s VAL 24 CO -0.08 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.68 1cqg s VAL 25 N -0.98 1.56 -0.27 2.92 1.01 0.65 -0.37 120.40 124.93 1cqg s VAL 25 Ca 0.16 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1cqg s VAL 25 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1cqg s VAL 25 CO 0.06 0.39 0.30 -0.62 0.00 0.00 0.00 175.10 175.23 1cqg s ASP 26 N 1.48 6.17 -0.27 3.32 2.15 0.01 -1.29 116.67 128.25 1cqg s ASP 26 Ca 0.04 0.18 0.08 0.00 0.43 0.00 0.00 52.55 53.28 1cqg s ASP 26 Cb -0.14 -2.18 0.64 0.00 -0.30 0.00 0.00 42.92 40.95 1cqg s ASP 26 CO -0.10 -0.12 1.64 0.49 -0.17 0.00 0.00 175.17 176.90 1cqg n PHE 27 N 5.18 2.09 -1.72 -5.34 3.72 -0.28 0.50 117.46 121.61 1cqg n PHE 27 Ca -0.11 -1.02 -0.41 0.00 -0.05 0.00 0.00 57.45 55.86 1cqg n PHE 27 Cb 0.51 -0.61 0.01 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.04 2.86 -4.69 4.37 7.64 -1.23 -4.32 113.62 118.21 1cqg n SER 28 Ca 0.34 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.94 1cqg n SER 28 Cb 1.23 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.17 3.42 0.30 -0.43 0.00 -1.26 -4.25 121.76 118.35 1cqg s ALA 29 Ca 0.59 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.88 1cqg s ALA 29 Cb -0.50 -3.34 0.47 0.00 0.00 0.00 0.00 23.12 19.75 1cqg s ALA 29 CO 0.59 -0.56 1.73 0.00 0.00 0.00 0.00 175.76 177.52 1cqg h THR 30 N 5.08 1.27 0.00 0.00 1.03 -1.91 -2.39 112.91 116.00 1cqg h THR 30 Ca -0.32 -1.33 -0.05 0.00 -0.01 0.00 0.00 66.41 64.71 1cqg h THR 30 Cb 1.15 1.49 -0.01 0.00 -1.07 0.00 0.00 68.15 69.71 1cqg h THR 30 CO 0.84 0.41 -0.22 4.11 -0.01 0.00 0.00 175.52 180.64 1cqg h TRP 31 N 0.30 0.00 -3.29 0.00 5.08 -2.02 -3.42 115.95 112.60 1cqg h TRP 31 Ca 0.04 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.43 1cqg h TRP 31 Cb 0.70 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.79 1cqg h TRP 31 CO 0.02 0.22 0.43 0.00 -1.28 0.00 0.00 178.44 177.83 1cqg h GLY 33 N 8.47 -0.17 0.56 0.00 0.00 -1.83 -1.77 103.07 108.32 1cqg h GLY 33 Ca -0.28 0.06 0.17 0.00 0.00 0.00 0.00 47.33 47.29 1cqg h GLY 33 CO 0.85 -0.06 0.53 -2.55 0.00 0.00 0.00 176.54 175.31 1cqg h PRO 34 N -0.50 0.35 0.07 4.80 0.11 -1.93 0.24 132.00 135.14 1cqg h PRO 34 Ca -0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1cqg h PRO 34 Cb 0.40 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1cqg h PRO 34 CO 0.03 0.23 -0.03 0.00 -0.21 0.00 0.00 178.00 178.01 1cqg h ALA 35 N 1.64 -0.10 -0.70 -0.75 0.00 -1.81 -3.14 119.26 114.41 1cqg h ALA 35 Ca 0.39 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1cqg h ALA 35 Cb 1.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1cqg h ALA 35 CO -0.12 -0.14 0.46 -0.22 0.00 0.00 0.00 179.25 179.23 1cqg h LYS 36 N -0.92 0.92 -0.09 0.00 3.64 -0.95 -1.53 116.57 117.63 1cqg h LYS 36 Ca -0.01 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1cqg h LYS 36 Cb 0.57 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1cqg h LYS 36 CO 0.02 0.61 0.06 1.98 -2.27 0.00 0.00 179.45 179.84 1cqg h MET 37 N 0.95 0.13 -0.00 1.90 4.05 -0.61 -0.59 114.93 120.75 1cqg h MET 37 Ca 0.26 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1cqg h MET 37 Cb -0.10 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 1cqg h MET 37 CO -0.05 0.09 -0.03 -0.89 0.23 0.00 0.00 176.91 176.26 1cqg n ILE 38 N -4.52 0.00 0.22 1.77 5.41 -0.58 -4.10 119.36 117.57 1cqg n ILE 38 Ca -0.02 -0.02 0.06 0.00 1.00 0.00 0.00 62.75 63.78 1cqg n ILE 38 Cb 0.09 -0.38 0.52 0.00 -0.71 0.00 0.00 39.64 39.16 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 0.18 0.00 -0.99 0.38 2.10 -1.06 -3.24 116.57 113.95 1cqg h LYS 39 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.75 1cqg h LYS 39 Cb 0.26 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.52 1cqg h LYS 39 CO 0.00 0.21 0.63 -1.35 -2.00 0.00 0.00 179.45 176.94 1cqg h PRO 40 N 0.00 1.00 -0.27 0.07 0.11 -1.79 0.33 132.00 131.46 1cqg h PRO 40 Ca -0.00 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1cqg h PRO 40 Cb 0.41 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1cqg h PRO 40 CO 0.03 0.66 -0.11 0.74 -0.21 0.00 0.00 178.00 179.11 1cqg h PHE 41 N 1.03 0.62 0.48 0.65 -1.00 -1.89 0.68 116.94 117.52 1cqg h PHE 41 Ca 0.47 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 61.07 1cqg h PHE 41 Cb 0.38 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1cqg h PHE 41 CO -0.00 0.79 -0.23 0.35 -1.61 0.00 0.00 178.31 177.60 1cqg h PHE 42 N 0.28 -0.60 -0.46 -0.55 3.57 -1.48 -0.97 116.94 116.72 1cqg h PHE 42 Ca 0.06 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 1cqg h PHE 42 Cb 0.61 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1cqg h PHE 42 CO 0.06 -0.37 -0.14 1.25 -2.23 0.00 0.00 178.31 176.88 1cqg h HIS 43 N -0.67 1.03 -0.57 0.41 2.76 -0.37 -3.08 115.15 114.67 1cqg h HIS 43 Ca -0.07 -0.23 -0.03 0.00 -2.20 0.00 0.00 60.37 57.85 1cqg h HIS 43 Cb 0.51 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 1cqg h HIS 43 CO -0.04 1.01 0.25 0.77 -1.30 0.00 0.00 177.93 178.62 1cqg h SER 44 N 0.76 0.73 0.37 3.26 0.02 0.46 -1.87 113.55 117.29 1cqg h SER 44 Ca 0.11 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cqg h SER 44 Cb 0.69 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1cqg h SER 44 CO 0.05 0.64 0.00 -0.07 -1.14 0.00 0.00 176.83 176.31 1cqg h LEU 45 N 0.80 0.00 -1.05 5.07 3.38 -1.08 -2.38 115.31 120.05 1cqg h LEU 45 Ca 0.20 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.32 1cqg h LEU 45 Cb 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 1cqg h LEU 45 CO -0.02 0.00 0.62 0.28 0.09 0.00 0.00 178.44 179.41 1cqg h SER 46 N 0.00 0.83 1.40 -0.43 0.02 -1.38 0.67 113.55 114.65 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 0.19 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1cqg h SER 46 CO 0.00 0.38 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.49 1cqg h GLU 47 N 0.85 0.00 0.06 3.45 3.07 -1.61 -2.57 114.58 117.82 1cqg h GLU 47 Ca 0.53 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.11 1cqg h GLU 47 Cb 0.71 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.64 1cqg h GLU 47 CO -0.30 0.00 -1.13 -0.22 -1.40 0.00 0.00 179.01 175.96 1cqg h LYS 48 N 0.00 0.60 -2.17 2.33 1.63 0.17 -3.34 116.57 115.78 1cqg h LYS 48 Ca 0.00 -0.73 -0.59 0.00 -0.85 0.00 0.00 60.65 58.49 1cqg h LYS 48 Cb 0.82 0.22 -0.41 0.00 -0.60 0.00 0.00 32.23 32.26 1cqg h LYS 48 CO 0.00 1.31 -0.70 0.66 -3.45 0.00 0.00 179.45 177.27 1cqg n TYR 49 N -3.79 3.02 0.16 1.91 4.01 0.54 -4.87 117.16 118.13 1cqg n TYR 49 Ca -0.11 -4.03 0.02 0.00 -0.16 0.00 0.00 57.90 53.62 1cqg n TYR 49 Cb 0.93 -0.51 0.09 0.00 -0.31 0.00 0.00 39.34 39.54 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 0.71 0.00 -0.63 7.72 3.41 -0.97 0.03 113.62 123.88 1cqg n SER 50 Ca 0.29 0.44 0.09 0.00 -0.26 0.00 0.00 58.87 59.42 1cqg n SER 50 Cb 0.43 -0.45 0.28 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.45 1.87 -4.24 4.04 5.15 -1.26 -4.81 115.26 114.55 1cqg n ASN 51 Ca 0.01 -1.85 -0.25 0.00 -0.60 0.00 0.00 54.58 51.89 1cqg n ASN 51 Cb 0.05 -0.17 -0.14 0.00 -0.53 0.00 0.00 39.78 38.98 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 -1.65 1.63 -0.26 3.44 1.01 0.10 -4.44 120.40 120.24 1cqg s VAL 52 Ca 0.29 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1cqg s VAL 52 Cb 0.16 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1cqg s VAL 52 CO 0.22 0.18 0.17 -0.63 0.00 0.00 0.00 175.10 175.04 1cqg s ILE 53 N -0.82 5.34 -0.21 2.22 -1.09 -0.93 -4.92 121.20 120.79 1cqg s ILE 53 Ca 0.07 0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.59 1cqg s ILE 53 Cb -0.09 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1cqg s ILE 53 CO 0.02 0.30 0.09 -0.36 -1.23 0.00 0.00 174.94 173.76 1cqg s PHE 54 N 1.37 3.25 -0.06 3.97 0.40 -1.26 -1.91 117.98 123.72 1cqg s PHE 54 Ca 0.07 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1cqg s PHE 54 Cb -0.15 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 1cqg s PHE 54 CO 0.07 0.05 -0.09 -0.51 0.70 0.00 0.00 175.22 175.45 1cqg s LEU 55 N 0.76 3.07 -0.15 -0.37 1.02 0.50 -2.01 118.68 121.51 1cqg s LEU 55 Ca 0.05 -0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.11 1cqg s LEU 55 Cb -0.13 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1cqg s LEU 55 CO 0.02 0.36 -0.06 -0.70 0.02 0.00 0.00 176.35 175.99 1cqg s GLU 56 N -0.79 3.60 -0.03 1.70 2.12 -0.39 -0.80 118.70 124.10 1cqg s GLU 56 Ca 0.12 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.93 1cqg s GLU 56 Cb -0.11 -2.85 -0.00 0.00 0.26 0.00 0.00 34.13 31.43 1cqg s GLU 56 CO 0.01 0.24 -0.15 0.08 -0.54 0.00 0.00 175.26 174.91 1cqg s VAL 57 N 0.34 1.25 -0.27 3.70 1.01 0.18 -2.39 120.40 124.21 1cqg s VAL 57 Ca -0.06 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1cqg s VAL 57 Cb -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1cqg s VAL 57 CO 0.04 0.36 0.24 -0.62 0.00 0.00 0.00 175.10 175.12 1cqg s ASP 58 N 0.00 6.10 0.49 3.32 -1.08 -1.26 -3.57 116.67 120.67 1cqg s ASP 58 Ca -0.02 0.09 0.33 0.00 -0.52 0.00 0.00 52.55 52.43 1cqg s ASP 58 Cb -0.10 -2.15 1.51 0.00 -1.46 0.00 0.00 42.92 40.72 1cqg s ASP 58 CO 0.01 -0.08 1.98 -0.37 0.52 0.00 0.00 175.17 177.23 1cqg h VAL 59 N 5.35 0.00 0.05 1.11 -1.51 -1.75 1.10 116.25 120.60 1cqg h VAL 59 Ca -0.34 -0.28 -0.35 0.00 -1.23 0.00 0.00 66.70 64.50 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 0.58 0.00 -2.01 0.47 -1.23 0.00 0.00 177.57 175.38 1cqg n ASP 60 N -2.81 2.00 0.02 4.19 9.92 -1.26 -2.82 116.55 125.80 1cqg n ASP 60 Ca -0.00 0.21 0.11 0.00 -0.53 0.00 0.00 54.79 54.58 1cqg n ASP 60 Cb 0.21 -0.78 0.04 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 -3.79 0.63 -2.01 -2.24 9.92 -1.18 -4.00 116.55 113.89 1cqg n ASP 61 Ca -0.39 -0.29 -0.14 0.00 -0.53 0.00 0.00 54.79 53.45 1cqg n ASP 61 Cb 0.92 0.72 0.05 0.00 -0.64 0.00 0.00 41.12 42.17 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 -1.75 4.21 0.31 2.24 0.00 0.38 -4.75 120.51 121.15 1cqg n ALA 62 Ca 0.03 -3.44 0.17 0.00 0.00 0.00 0.00 53.44 50.20 1cqg n ALA 62 Cb 0.41 -0.46 1.00 0.00 0.00 0.00 0.00 19.45 20.40 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 2.08 0.00 -0.49 0.00 3.07 -1.41 -0.94 115.11 117.42 1cqg h GLN 63 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.83 1cqg h GLN 63 Cb 1.43 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.97 1cqg h GLN 63 CO 0.51 0.00 -0.08 0.38 0.09 0.00 0.00 178.83 179.73 1cqg h ASP 64 N 0.00 0.88 -0.23 0.06 3.04 -1.87 0.44 116.42 118.74 1cqg h ASP 64 Ca 0.00 -0.26 -0.10 0.00 -3.24 0.00 0.00 57.03 53.43 1cqg h ASP 64 Cb 0.01 -0.24 -0.00 0.00 -1.04 0.00 0.00 39.33 38.06 1cqg h ASP 64 CO -0.00 0.99 -0.24 0.58 -2.04 0.00 0.00 179.24 178.52 1cqg h VAL 65 N 0.80 1.32 -0.07 4.15 2.07 -1.51 -3.04 116.25 119.98 1cqg h VAL 65 Ca 0.14 -1.42 -0.21 0.00 0.82 0.00 0.00 66.70 66.03 1cqg h VAL 65 Cb 0.60 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1cqg h VAL 65 CO 0.04 0.44 -0.81 0.00 0.02 0.00 0.00 177.57 177.26 1cqg h ALA 66 N 0.66 0.46 -0.77 1.67 0.00 -1.34 -3.19 119.26 116.75 1cqg h ALA 66 Ca 0.03 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1cqg h ALA 66 Cb 0.80 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1cqg h ALA 66 CO 0.06 0.76 0.51 0.66 0.00 0.00 0.00 179.25 181.24 1cqg h SER 67 N 0.32 0.90 -0.62 0.00 4.64 -0.15 0.03 113.55 118.67 1cqg h SER 67 Ca -0.05 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1cqg h SER 67 Cb 1.41 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1cqg h SER 67 CO 0.14 0.65 0.23 -0.08 -0.87 0.00 0.00 176.83 176.91 1cqg h GLU 68 N 1.05 0.98 -0.01 4.77 4.22 -1.52 -1.87 114.58 122.21 1cqg h GLU 68 Ca 0.28 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1cqg h GLU 68 Cb -0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 28.98 1cqg h GLU 68 CO -0.06 0.82 -0.10 0.00 -2.18 0.00 0.00 179.01 177.49 1cqg n ALA 69 N -2.45 2.76 -3.67 2.92 0.00 -0.59 -4.93 120.51 114.55 1cqg n ALA 69 Ca 0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1cqg n ALA 69 Cb 0.20 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.77 -5.17 -1.97 0.00 4.71 -0.10 -4.86 120.64 112.48 1cqg n GLU 70 Ca 0.16 0.65 -0.42 0.00 -0.01 0.00 0.00 57.16 57.54 1cqg n GLU 70 Cb 0.28 -5.28 -0.03 0.00 -1.01 0.00 0.00 31.44 25.40 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 -3.62 2.64 -0.67 2.62 1.01 -1.10 -4.89 120.40 116.40 1cqg s VAL 71 Ca 0.03 0.49 0.18 0.00 0.00 0.00 0.00 61.98 62.67 1cqg s VAL 71 Cb -0.01 -3.32 -0.21 0.00 0.00 0.00 0.00 36.38 32.84 1cqg s VAL 71 CO 0.80 0.06 0.68 0.29 0.00 0.00 0.00 175.10 176.92 1cqg n LYS 72 N 3.24 1.09 -3.47 2.72 5.02 -1.26 -5.01 118.16 120.49 1cqg n LYS 72 Ca 0.11 -0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.23 1cqg n LYS 72 Cb 0.39 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1cqg n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cqg s ALA 73 N -2.77 -1.69 0.12 7.82 0.00 -1.26 -5.17 121.76 118.81 1cqg s ALA 73 Ca 0.04 0.86 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1cqg s ALA 73 Cb 0.13 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1cqg s ALA 73 CO 0.73 -0.61 -0.15 0.95 0.00 0.00 0.00 175.76 176.67 1cqg s THR 74 N -2.74 1.40 0.27 0.00 -4.23 -1.26 -3.99 115.64 105.10 1cqg s THR 74 Ca -0.03 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 1cqg s THR 74 Cb -0.01 -1.50 -0.09 0.00 1.34 0.00 0.00 72.50 72.24 1cqg s THR 74 CO -0.04 -0.33 1.03 -2.16 -0.54 0.00 0.00 174.62 172.58 1cqg s PRO 75 N -2.44 4.70 -0.06 3.99 0.04 -1.26 -4.91 135.00 135.06 1cqg s PRO 75 Ca 0.08 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1cqg s PRO 75 Cb -0.06 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1cqg s PRO 75 CO 0.03 0.32 -0.18 0.99 0.04 0.00 0.00 177.00 178.21 1cqg s THR 76 N -1.21 1.54 -0.13 1.26 2.01 -1.26 -3.00 115.64 114.85 1cqg s THR 76 Ca 0.44 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1cqg s THR 76 Cb -0.29 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1cqg s THR 76 CO 0.36 0.44 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.30 1cqg s PHE 77 N 0.26 2.93 0.02 4.92 0.08 -0.67 -1.13 117.98 124.40 1cqg s PHE 77 Ca -0.10 -0.35 0.08 0.00 0.12 0.00 0.00 56.93 56.68 1cqg s PHE 77 Cb -0.14 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1cqg s PHE 77 CO 0.04 -0.02 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.26 1cqg s GLN 78 N 0.12 1.69 -0.13 0.44 -0.21 -0.41 -2.11 119.66 119.04 1cqg s GLN 78 Ca -0.03 -0.96 -0.03 0.00 0.02 0.00 0.00 55.36 54.36 1cqg s GLN 78 Cb -0.14 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 1cqg s GLN 78 CO 0.04 0.47 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.57 1cqg s PHE 79 N -0.72 3.02 0.06 0.91 0.40 0.19 -0.25 117.98 121.59 1cqg s PHE 79 Ca 0.09 -0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 1cqg s PHE 79 Cb -0.09 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 1cqg s PHE 79 CO 0.01 0.08 -0.17 -0.06 0.70 0.00 0.00 175.22 175.77 1cqg s PHE 80 N 0.03 1.52 -0.14 0.36 0.40 0.55 -1.29 117.98 119.40 1cqg s PHE 80 Ca 0.00 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.87 1cqg s PHE 80 Cb -0.13 -0.87 0.06 0.00 0.51 0.00 0.00 43.02 42.58 1cqg s PHE 80 CO 0.03 0.10 0.32 0.21 0.70 0.00 0.00 175.22 176.58 1cqg s LYS 81 N -1.44 0.26 -1.86 0.44 2.20 0.11 -1.58 119.74 117.88 1cqg s LYS 81 Ca 0.04 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1cqg s LYS 81 Cb -0.09 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1cqg s LYS 81 CO 0.02 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.44 1cqg n LYS 82 N 4.66 -1.65 -1.03 4.03 5.02 -1.18 -1.10 118.16 126.90 1cqg n LYS 82 Ca -0.18 1.05 -0.01 0.00 -2.02 0.00 0.00 58.31 57.15 1cqg n LYS 82 Cb 0.52 -5.67 -0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -0.92 0.47 3.13 0.72 0.00 -1.26 -5.04 105.19 102.29 1cqg n GLY 83 Ca -0.24 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.09 0.92 -0.07 1.61 -0.21 -0.26 -5.12 119.66 114.44 1cqg s GLN 84 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.37 1cqg s GLN 84 Cb 0.00 -0.91 -0.02 0.00 1.00 0.00 0.00 33.01 33.08 1cqg s GLN 84 CO 0.00 0.23 1.00 0.21 -2.12 0.00 0.00 175.29 174.61 1cqg s LYS 85 N -1.04 4.46 0.00 2.91 2.20 -1.26 0.09 119.74 127.11 1cqg s LYS 85 Ca 0.01 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 1cqg s LYS 85 Cb -0.07 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1cqg s LYS 85 CO 0.01 -0.24 0.76 1.33 -0.36 0.00 0.00 175.35 176.85 1cqg n VAL 86 N 4.35 0.55 -3.63 4.02 0.24 -0.41 -4.94 118.33 118.51 1cqg n VAL 86 Ca 0.08 -0.74 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 1cqg n VAL 86 Cb 0.49 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.59 1cqg n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cqg s GLY 87 N -0.55 -0.15 -0.15 7.63 0.00 -1.22 -4.96 107.32 107.91 1cqg s GLY 87 Ca 0.00 2.08 -0.29 0.00 0.00 0.00 0.00 44.72 46.50 1cqg s GLY 87 CO 0.00 0.75 0.87 1.85 0.00 0.00 0.00 173.10 176.57 1cqg s GLU 88 N -1.84 0.76 -0.10 2.90 2.56 -1.26 -0.64 118.70 121.07 1cqg s GLU 88 Ca 0.10 0.34 -0.30 0.00 0.00 0.00 0.00 54.97 55.10 1cqg s GLU 88 Cb -0.01 0.36 0.12 0.00 2.00 0.00 0.00 34.13 36.60 1cqg s GLU 88 CO -0.04 -0.20 0.99 -0.59 -0.56 0.00 0.00 175.26 174.86 1cqg s PHE 89 N -0.78 -0.31 0.25 5.30 -0.12 -0.90 -5.03 117.98 116.39 1cqg s PHE 89 Ca -0.04 0.35 0.07 0.00 -0.05 0.00 0.00 56.93 57.26 1cqg s PHE 89 Cb -0.01 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 1cqg s PHE 89 CO 0.03 -0.40 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.17 1cqg s SER 90 N -1.86 2.66 0.00 1.98 1.04 -1.26 -1.66 113.70 114.59 1cqg s SER 90 Ca 0.03 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1cqg s SER 90 Cb -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1cqg s SER 90 CO -0.04 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1cqg n GLY 91 N -0.49 3.66 2.62 7.32 0.00 -1.16 -4.89 105.19 112.24 1cqg n GLY 91 Ca -0.06 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.19 5.67 -3.98 4.61 0.00 -1.26 -4.79 120.51 120.56 1cqg n ALA 92 Ca 0.00 -3.19 -0.32 0.00 0.00 0.00 0.00 53.44 49.93 1cqg n ALA 92 Cb 0.00 -3.36 -0.14 0.00 0.00 0.00 0.00 19.45 15.94 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 3.20 4.85 0.32 0.00 3.84 -1.26 -4.96 114.94 120.92 1cqg s ASN 93 Ca 0.55 -2.14 0.11 0.00 0.21 0.00 0.00 52.86 51.59 1cqg s ASN 93 Cb 0.14 -1.66 0.54 0.00 -0.55 0.00 0.00 41.25 39.72 1cqg s ASN 93 CO -0.03 -0.41 1.72 0.07 -2.79 0.00 0.00 177.10 175.66 1cqg h LYS 94 N 7.68 0.01 0.00 0.43 -0.00 -1.95 -2.89 116.57 119.86 1cqg h LYS 94 Ca -0.06 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.65 60.52 1cqg h LYS 94 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.25 1cqg h LYS 94 CO 0.55 0.50 -0.33 0.93 -0.00 0.00 0.00 179.45 181.10 1cqg h GLU 95 N 0.01 0.00 -0.35 0.07 4.39 -2.00 -2.44 114.58 114.26 1cqg h GLU 95 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1cqg h GLU 95 Cb 0.87 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1cqg h GLU 95 CO 0.06 0.33 0.13 -0.22 -1.16 0.00 0.00 179.01 178.15 1cqg h LYS 96 N 0.00 0.49 -1.01 2.33 3.64 -1.94 -1.55 116.57 118.54 1cqg h LYS 96 Ca -0.00 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1cqg h LYS 96 Cb 0.58 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1cqg h LYS 96 CO 0.04 0.42 0.67 -0.07 -2.27 0.00 0.00 179.45 178.24 1cqg h LEU 97 N 0.49 1.14 -0.50 5.20 3.38 -1.53 -1.85 115.31 121.64 1cqg h LEU 97 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1cqg h LEU 97 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1cqg h LEU 97 CO -0.01 0.81 0.22 -0.08 0.09 0.00 0.00 178.44 179.46 1cqg h GLU 98 N 1.33 0.73 -0.31 1.13 4.81 -1.36 -1.11 114.58 119.80 1cqg h GLU 98 Ca 0.38 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1cqg h GLU 98 Cb -0.10 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1cqg h GLU 98 CO -0.10 0.64 -0.13 0.00 -0.73 0.00 0.00 179.01 178.70 1cqg h ALA 99 N 1.06 0.43 -0.71 2.92 0.00 -1.35 0.30 119.26 121.92 1cqg h ALA 99 Ca 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 99 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1cqg h ALA 99 CO -0.02 0.31 0.16 1.15 0.00 0.00 0.00 179.25 180.85 1cqg h THR 100 N 0.39 1.26 -0.19 0.00 2.02 -1.27 0.79 112.91 115.92 1cqg h THR 100 Ca 0.07 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1cqg h THR 100 Cb 0.64 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1cqg h THR 100 CO 0.04 0.38 0.03 0.40 0.37 0.00 0.00 175.52 176.74 1cqg h ILE 101 N 1.08 1.23 -0.53 3.11 2.04 -1.07 0.14 117.51 123.49 1cqg h ILE 101 Ca 0.22 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1cqg h ILE 101 Cb 0.40 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1cqg h ILE 101 CO 0.01 0.23 0.32 -1.13 0.00 0.00 0.00 178.15 177.58 1cqg h ASN 102 N 0.11 0.63 -0.31 1.72 -0.00 0.00 1.37 115.58 119.11 1cqg h ASN 102 Ca 0.06 -0.03 -0.16 0.00 -0.00 0.00 0.00 56.30 56.17 1cqg h ASN 102 Cb 0.32 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.48 1cqg h ASN 102 CO 0.00 0.48 -0.42 -0.08 -0.00 0.00 0.00 177.43 177.42 1cqg h GLU 103 N 0.73 0.87 -0.02 6.67 4.22 0.13 -3.21 114.58 123.98 1cqg h GLU 103 Ca 0.19 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 59.16 1cqg h GLU 103 Cb -0.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1cqg h GLU 103 CO -0.04 1.11 -0.41 1.28 -2.18 0.00 0.00 179.01 178.78 1cqg n LEU 104 N -4.04 1.93 0.00 1.64 4.77 0.41 -5.07 117.00 116.64 1cqg n LEU 104 Ca -0.02 -0.69 0.04 0.00 -0.03 0.00 0.00 56.01 55.30 1cqg n LEU 104 Cb 0.56 -0.02 0.24 0.00 -2.33 0.00 0.00 43.42 41.87 1cqg n LEU 104 CO 0.48 0.36 0.47 0.55 -1.33 0.00 0.00 177.39 177.92