#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 2.36 -0.07 2.03 1.01 -1.26 -4.39 120.40 120.09 1cqg s VAL 2 Ca 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 59.88 1cqg s VAL 2 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1cqg s VAL 2 CO 0.00 -0.19 -0.10 -0.75 0.00 0.00 0.00 175.10 174.06 1cqg s LYS 3 N -2.86 1.49 -0.23 2.72 2.47 -1.07 -5.05 119.74 117.21 1cqg s LYS 3 Ca 0.23 -0.33 -0.13 0.00 -1.56 0.00 0.00 55.97 54.18 1cqg s LYS 3 Cb -0.07 -1.30 -0.04 0.00 -1.46 0.00 0.00 37.83 34.95 1cqg s LYS 3 CO 0.11 -0.03 0.26 -1.14 0.16 0.00 0.00 175.35 174.71 1cqg s GLN 4 N 0.83 4.09 -0.34 4.03 0.74 -1.26 -1.91 119.66 125.84 1cqg s GLN 4 Ca -0.12 -0.08 -0.11 0.00 0.05 0.00 0.00 55.36 55.10 1cqg s GLN 4 Cb -0.15 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.40 1cqg s GLN 4 CO 0.02 -0.02 0.19 0.42 -0.55 0.00 0.00 175.29 175.35 1cqg s ILE 5 N 1.28 4.76 -2.62 -2.34 -1.09 -0.92 -4.93 121.20 115.35 1cqg s ILE 5 Ca 0.12 -0.51 0.25 0.00 -2.23 0.00 0.00 60.65 58.28 1cqg s ILE 5 Cb -0.14 -3.51 0.28 0.00 -1.58 0.00 0.00 42.46 37.51 1cqg s ILE 5 CO 0.07 -0.05 1.41 -0.62 -1.23 0.00 0.00 174.94 174.52 1cqg n GLU 6 N 5.02 1.85 -3.59 2.79 4.71 -1.26 -4.44 120.64 125.73 1cqg n GLU 6 Ca -0.13 -1.39 -0.13 0.00 -0.01 0.00 0.00 57.16 55.51 1cqg n GLU 6 Cb 0.48 -1.47 -0.05 0.00 -1.01 0.00 0.00 31.44 29.39 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 -2.10 -0.37 0.39 1.62 1.04 -1.26 -4.38 113.70 108.63 1cqg s SER 7 Ca 0.30 -0.00 0.10 0.00 0.48 0.00 0.00 55.95 56.82 1cqg s SER 7 Cb 0.20 0.49 0.80 0.00 0.10 0.00 0.00 66.02 67.61 1cqg s SER 7 CO 0.37 -0.77 1.93 0.50 0.98 0.00 0.00 173.24 176.24 1cqg h LYS 8 N 2.63 0.23 -0.24 4.02 3.64 -1.91 -1.44 116.57 123.49 1cqg h LYS 8 Ca -0.32 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1cqg h LYS 8 Cb 1.23 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1cqg h LYS 8 CO 0.43 0.36 0.02 1.15 -2.27 0.00 0.00 179.45 179.14 1cqg h THR 9 N 0.22 0.86 -0.03 1.00 2.02 -2.00 -0.21 112.91 114.77 1cqg h THR 9 Ca 0.05 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 1cqg h THR 9 Cb 0.35 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1cqg h THR 9 CO 0.02 0.02 -0.45 0.00 0.37 0.00 0.00 175.52 175.48 1cqg h ALA 10 N 1.19 1.20 -0.76 6.16 0.00 -1.86 -2.78 119.26 122.41 1cqg h ALA 10 Ca 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1cqg h ALA 10 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1cqg h ALA 10 CO -0.17 0.58 0.50 0.35 0.00 0.00 0.00 179.25 180.51 1cqg h PHE 11 N 0.06 0.94 -0.48 0.00 3.57 -0.02 0.50 116.94 121.50 1cqg h PHE 11 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1cqg h PHE 11 Cb 0.82 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1cqg h PHE 11 CO 0.00 0.58 0.04 1.96 -2.23 0.00 0.00 178.31 178.66 1cqg h GLN 12 N 1.01 0.83 -0.54 1.11 1.08 -0.96 -1.43 115.11 116.20 1cqg h GLN 12 Ca 0.28 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1cqg h GLN 12 Cb -0.09 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 1cqg h GLN 12 CO -0.07 0.85 0.10 0.93 -0.95 0.00 0.00 178.83 179.69 1cqg h GLU 13 N 0.69 0.85 -0.30 1.46 4.39 -1.06 -1.57 114.58 119.04 1cqg h GLU 13 Ca 0.14 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1cqg h GLU 13 Cb 0.46 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1cqg h GLU 13 CO 0.02 0.79 -0.12 0.00 -1.16 0.00 0.00 179.01 178.54 1cqg h ALA 14 N 1.29 0.42 -0.89 3.43 0.00 0.29 0.80 119.26 124.60 1cqg h ALA 14 Ca 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1cqg h ALA 14 Cb 0.35 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1cqg h ALA 14 CO 0.01 0.29 0.54 -0.07 0.00 0.00 0.00 179.25 180.02 1cqg h LEU 15 N 0.38 1.06 -0.59 0.00 3.38 -1.02 -0.94 115.31 117.58 1cqg h LEU 15 Ca 0.07 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1cqg h LEU 15 Cb 0.63 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1cqg h LEU 15 CO 0.04 0.81 -0.30 -0.78 0.09 0.00 0.00 178.44 178.30 1cqg h ASP 16 N 1.22 0.83 -0.33 -0.43 1.82 -1.06 -2.99 116.42 115.48 1cqg h ASP 16 Ca 0.32 -0.34 -0.10 0.00 -0.39 0.00 0.00 57.03 56.52 1cqg h ASP 16 Cb -0.07 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.70 1cqg h ASP 16 CO -0.06 1.07 -0.14 0.00 -1.61 0.00 0.00 179.24 178.50 1cqg h ALA 17 N 0.98 0.96 -0.13 -0.78 0.00 -0.17 -2.62 119.26 117.50 1cqg h ALA 17 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1cqg h ALA 17 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cqg h ALA 17 CO 0.07 0.61 -0.17 0.00 0.00 0.00 0.00 179.25 179.76 1cqg h ALA 18 N 1.14 1.48 -0.64 0.00 0.00 -1.11 -3.47 119.26 116.67 1cqg h ALA 18 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1cqg h ALA 18 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1cqg h ALA 18 CO 0.04 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1cqg n GLY 19 N -0.81 3.08 0.65 0.00 0.00 -0.99 -1.90 105.19 105.21 1cqg n GLY 19 Ca -0.01 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 7.54 1.94 -4.79 1.61 8.00 -1.26 -3.26 116.55 126.32 1cqg n ASP 20 Ca 0.00 -1.76 -0.35 0.00 0.71 0.00 0.00 54.79 53.39 1cqg n ASP 20 Cb 0.00 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.75 4.06 0.91 -1.24 1.02 -0.80 -4.76 119.74 117.19 1cqg s LYS 21 Ca 0.33 1.41 -0.11 0.00 0.02 0.00 0.00 55.97 57.62 1cqg s LYS 21 Cb 0.18 -2.36 0.12 0.00 -0.52 0.00 0.00 37.83 35.25 1cqg s LYS 21 CO 0.27 -0.22 1.01 -0.11 -0.92 0.00 0.00 175.35 175.38 1cqg n LEU 22 N -0.42 2.76 -3.62 3.17 0.00 -1.26 -4.65 117.00 112.99 1cqg n LEU 22 Ca 0.07 0.42 -0.12 0.00 0.00 0.00 0.00 56.01 56.37 1cqg n LEU 22 Cb 0.51 -1.43 -0.12 0.00 0.00 0.00 0.00 43.42 42.38 1cqg n LEU 22 CO 0.42 -2.40 -0.09 -0.69 0.00 0.00 0.00 177.39 174.63 1cqg s VAL 23 N -2.54 -0.49 -0.04 1.96 1.01 -1.01 -2.42 120.40 116.88 1cqg s VAL 23 Ca 0.66 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 1cqg s VAL 23 Cb -0.23 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1cqg s VAL 23 CO 0.59 0.06 0.02 -0.69 0.00 0.00 0.00 175.10 175.08 1cqg s VAL 24 N 2.47 4.38 -0.12 2.92 1.01 -0.48 -0.80 120.40 129.78 1cqg s VAL 24 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1cqg s VAL 24 Cb -0.13 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1cqg s VAL 24 CO -0.11 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.65 1cqg s VAL 25 N -1.02 1.42 -0.29 2.92 1.01 0.87 0.01 120.40 125.32 1cqg s VAL 25 Ca 0.17 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1cqg s VAL 25 Cb -0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1cqg s VAL 25 CO 0.07 0.43 0.24 -0.62 0.00 0.00 0.00 175.10 175.23 1cqg s ASP 26 N 1.31 6.08 -0.19 3.32 2.15 0.15 -1.02 116.67 128.47 1cqg s ASP 26 Ca -0.00 -0.05 0.10 0.00 0.43 0.00 0.00 52.55 53.03 1cqg s ASP 26 Cb -0.14 -2.14 0.61 0.00 -0.30 0.00 0.00 42.92 40.95 1cqg s ASP 26 CO -0.06 -0.13 1.44 0.49 -0.17 0.00 0.00 175.17 176.75 1cqg n PHE 27 N 5.14 1.60 -1.65 -5.34 3.72 -0.06 0.28 117.46 121.14 1cqg n PHE 27 Ca -0.12 -0.59 -0.38 0.00 -0.05 0.00 0.00 57.45 56.30 1cqg n PHE 27 Cb 0.51 -0.43 0.04 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.41 1.33 -4.69 4.37 7.64 -1.24 -4.31 113.62 117.14 1cqg n SER 28 Ca 0.22 0.88 -0.41 0.00 1.01 0.00 0.00 58.87 60.57 1cqg n SER 28 Cb 0.98 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.42 3.43 0.30 -0.43 0.00 -1.26 -4.16 121.76 118.22 1cqg s ALA 29 Ca 0.73 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1cqg s ALA 29 Cb -0.44 -3.17 0.47 0.00 0.00 0.00 0.00 23.12 19.99 1cqg s ALA 29 CO 0.49 -0.46 1.71 0.00 0.00 0.00 0.00 175.76 177.50 1cqg h THR 30 N 5.03 1.32 0.00 0.00 1.03 -1.91 -2.42 112.91 115.96 1cqg h THR 30 Ca -0.34 -1.54 -0.03 0.00 -0.01 0.00 0.00 66.41 64.50 1cqg h THR 30 Cb 1.16 1.72 -0.00 0.00 -1.07 0.00 0.00 68.15 69.96 1cqg h THR 30 CO 0.80 0.46 -0.13 4.11 -0.01 0.00 0.00 175.52 180.75 1cqg h TRP 31 N 0.16 0.00 -3.46 0.00 5.08 -2.02 -3.42 115.95 112.30 1cqg h TRP 31 Ca 0.01 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.39 1cqg h TRP 31 Cb 0.82 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.89 1cqg h TRP 31 CO 0.01 0.13 0.54 0.00 -1.28 0.00 0.00 178.44 177.84 1cqg h GLY 33 N 9.86 -0.25 0.27 0.00 0.00 -1.84 -0.78 103.07 110.32 1cqg h GLY 33 Ca -0.23 0.09 0.20 0.00 0.00 0.00 0.00 47.33 47.40 1cqg h GLY 33 CO 0.95 -0.09 0.60 -2.55 0.00 0.00 0.00 176.54 175.45 1cqg h PRO 34 N -0.31 0.43 0.00 4.80 0.11 -1.94 0.21 132.00 135.30 1cqg h PRO 34 Ca -0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1cqg h PRO 34 Cb 0.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1cqg h PRO 34 CO 0.04 0.28 -0.00 0.00 -0.21 0.00 0.00 178.00 178.11 1cqg h ALA 35 N 1.61 -0.01 -0.51 -0.75 0.00 -1.77 -3.22 119.26 114.61 1cqg h ALA 35 Ca 0.49 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1cqg h ALA 35 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1cqg h ALA 35 CO -0.20 -0.08 0.34 -0.22 0.00 0.00 0.00 179.25 179.09 1cqg h LYS 36 N -0.86 0.65 -0.06 0.00 3.64 -0.52 0.24 116.57 119.67 1cqg h LYS 36 Ca -0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 36 Cb 0.83 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1cqg h LYS 36 CO 0.00 0.43 0.05 1.98 -2.27 0.00 0.00 179.45 179.64 1cqg h MET 37 N 0.67 0.00 -0.01 1.90 4.05 -0.66 -0.35 114.93 120.54 1cqg h MET 37 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1cqg h MET 37 Cb -0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1cqg h MET 37 CO -0.04 0.00 -0.05 -0.89 0.23 0.00 0.00 176.91 176.16 1cqg n ILE 38 N -4.19 0.00 0.20 1.77 5.41 0.07 -4.16 119.36 118.46 1cqg n ILE 38 Ca -0.02 -0.10 0.04 0.00 1.00 0.00 0.00 62.75 63.67 1cqg n ILE 38 Cb 0.15 -0.03 0.43 0.00 -0.71 0.00 0.00 39.64 39.48 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 0.93 0.01 -1.00 0.38 2.10 -1.04 -3.19 116.57 114.76 1cqg h LYS 39 Ca 0.00 -0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.76 1cqg h LYS 39 Cb 0.30 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.54 1cqg h LYS 39 CO 0.00 0.28 0.63 -1.35 -2.00 0.00 0.00 179.45 177.01 1cqg h PRO 40 N 0.01 1.00 -0.24 0.07 0.11 -1.79 0.69 132.00 131.85 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 0.48 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1cqg h PRO 40 CO 0.04 0.66 -0.11 0.74 -0.21 0.00 0.00 178.00 179.11 1cqg h PHE 41 N 1.03 0.57 0.15 0.65 -1.00 -1.88 0.80 116.94 117.26 1cqg h PHE 41 Ca 0.49 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 61.12 1cqg h PHE 41 Cb 0.43 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1cqg h PHE 41 CO -0.00 0.76 -0.07 0.35 -1.61 0.00 0.00 178.31 177.74 1cqg h PHE 42 N 0.22 -0.19 -0.44 -0.55 3.57 -1.39 -0.42 116.94 117.74 1cqg h PHE 42 Ca 0.05 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 42 Cb 0.61 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1cqg h PHE 42 CO 0.06 -0.03 -0.10 1.25 -2.23 0.00 0.00 178.31 177.27 1cqg h HIS 43 N -0.31 0.96 -0.86 0.41 2.76 0.38 -3.05 115.15 115.43 1cqg h HIS 43 Ca -0.02 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 57.92 1cqg h HIS 43 Cb 0.24 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 1cqg h HIS 43 CO -0.03 0.95 0.43 0.77 -1.30 0.00 0.00 177.93 178.74 1cqg h SER 44 N 0.69 1.12 0.06 3.26 0.02 0.72 -2.05 113.55 117.36 1cqg h SER 44 Ca 0.11 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1cqg h SER 44 Cb 0.64 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1cqg h SER 44 CO 0.04 0.93 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.58 1cqg h LEU 45 N 1.23 0.00 -1.47 5.07 3.38 -0.96 -2.05 115.31 120.51 1cqg h LEU 45 Ca 0.30 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.44 1cqg h LEU 45 Cb 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1cqg h LEU 45 CO -0.04 0.01 0.56 0.28 0.09 0.00 0.00 178.44 179.34 1cqg h SER 46 N 0.00 0.47 0.74 -0.43 0.02 -1.37 0.68 113.55 113.66 1cqg h SER 46 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1cqg h SER 46 Cb 0.05 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1cqg h SER 46 CO 0.00 0.22 -0.59 -0.62 -1.14 0.00 0.00 176.83 174.70 1cqg n GLU 47 N -4.52 0.20 0.09 3.45 4.71 -0.78 -2.78 120.64 121.02 1cqg n GLU 47 Ca 0.17 0.05 -0.22 0.00 -0.01 0.00 0.00 57.16 57.15 1cqg n GLU 47 Cb 0.58 -1.62 -0.13 0.00 -1.01 0.00 0.00 31.44 29.25 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 0.63 -2.16 3.49 1.63 0.26 -3.35 116.57 117.08 1cqg h LYS 48 Ca 0.00 -0.84 -0.59 0.00 -0.85 0.00 0.00 60.65 58.37 1cqg h LYS 48 Cb 0.67 0.28 -0.41 0.00 -0.60 0.00 0.00 32.23 32.16 1cqg h LYS 48 CO 0.00 1.38 -0.69 0.66 -3.45 0.00 0.00 179.45 177.35 1cqg n TYR 49 N -3.79 2.90 0.18 1.91 4.01 0.17 -4.87 117.16 117.67 1cqg n TYR 49 Ca -0.14 -4.04 0.02 0.00 -0.16 0.00 0.00 57.90 53.59 1cqg n TYR 49 Cb 0.99 -0.52 0.11 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.91 0.00 -0.63 7.72 3.41 -1.12 0.02 113.62 123.94 1cqg n SER 50 Ca 0.28 0.44 0.07 0.00 -0.26 0.00 0.00 58.87 59.41 1cqg n SER 50 Cb 0.43 -0.45 0.23 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.84 -4.19 4.04 5.15 -1.26 -4.80 115.26 114.59 1cqg n ASN 51 Ca 0.01 -1.90 -0.24 0.00 -0.60 0.00 0.00 54.58 51.85 1cqg n ASN 51 Cb 0.05 -0.19 -0.15 0.00 -0.53 0.00 0.00 39.78 38.96 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 -1.61 1.44 -0.26 3.44 1.01 0.10 -4.45 120.40 120.07 1cqg s VAL 52 Ca 0.27 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1cqg s VAL 52 Cb 0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1cqg s VAL 52 CO 0.20 0.26 0.27 -0.63 0.00 0.00 0.00 175.10 175.20 1cqg s ILE 53 N -0.63 5.26 -0.23 2.22 -1.09 -1.01 -4.87 121.20 120.85 1cqg s ILE 53 Ca 0.06 0.37 -0.09 0.00 -2.23 0.00 0.00 60.65 58.76 1cqg s ILE 53 Cb -0.08 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1cqg s ILE 53 CO 0.01 0.23 0.13 -0.36 -1.23 0.00 0.00 174.94 173.71 1cqg s PHE 54 N 1.72 3.27 0.01 3.97 0.40 -1.26 -1.38 117.98 124.70 1cqg s PHE 54 Ca 0.11 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1cqg s PHE 54 Cb -0.15 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1cqg s PHE 54 CO 0.09 0.03 -0.05 -0.51 0.70 0.00 0.00 175.22 175.48 1cqg s LEU 55 N 0.99 3.25 -0.13 -0.37 1.02 0.10 -2.60 118.68 120.94 1cqg s LEU 55 Ca 0.06 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.08 1cqg s LEU 55 Cb -0.13 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 1cqg s LEU 55 CO 0.04 0.27 -0.10 -0.70 0.02 0.00 0.00 176.35 175.87 1cqg s GLU 56 N -1.52 3.35 -0.06 1.70 2.12 -0.80 -0.67 118.70 122.81 1cqg s GLU 56 Ca 0.18 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.91 1cqg s GLU 56 Cb -0.11 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.60 1cqg s GLU 56 CO 0.09 0.29 -0.13 0.08 -0.54 0.00 0.00 175.26 175.04 1cqg s VAL 57 N 0.18 1.19 -0.27 3.70 1.01 0.14 -2.17 120.40 124.19 1cqg s VAL 57 Ca -0.06 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1cqg s VAL 57 Cb -0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1cqg s VAL 57 CO 0.04 0.36 0.40 -0.62 0.00 0.00 0.00 175.10 175.28 1cqg s ASP 58 N 0.44 6.28 0.60 3.32 2.15 -1.26 -3.72 116.67 124.48 1cqg s ASP 58 Ca -0.11 0.33 0.39 0.00 0.43 0.00 0.00 52.55 53.59 1cqg s ASP 58 Cb -0.14 -2.22 1.90 0.00 -0.30 0.00 0.00 42.92 42.16 1cqg s ASP 58 CO 0.03 -0.20 2.17 -0.37 -0.17 0.00 0.00 175.17 176.63 1cqg h VAL 59 N 5.39 0.00 0.08 1.11 -1.51 -1.75 0.67 116.25 120.24 1cqg h VAL 59 Ca -0.31 -0.25 -0.36 0.00 -1.23 0.00 0.00 66.70 64.55 1cqg h VAL 59 Cb 1.16 1.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.52 1cqg h VAL 59 CO 0.66 0.00 -2.03 0.47 -1.23 0.00 0.00 177.57 175.43 1cqg n ASP 60 N -3.06 2.06 0.03 4.19 9.92 -1.26 -3.02 116.55 125.41 1cqg n ASP 60 Ca -0.01 0.17 0.11 0.00 -0.53 0.00 0.00 54.79 54.53 1cqg n ASP 60 Cb 0.18 -0.78 -0.07 0.00 -0.64 0.00 0.00 41.12 39.81 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 -3.59 0.44 -2.20 -2.24 8.00 -1.15 -4.16 116.55 111.65 1cqg n ASP 61 Ca -0.36 -0.00 -0.20 0.00 0.71 0.00 0.00 54.79 54.94 1cqg n ASP 61 Cb 0.98 1.21 0.02 0.00 -0.02 0.00 0.00 41.12 43.32 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 -2.10 4.57 0.31 2.24 0.00 0.23 -4.77 120.51 121.00 1cqg n ALA 62 Ca -0.01 -3.63 0.21 0.00 0.00 0.00 0.00 53.44 50.01 1cqg n ALA 62 Cb 0.52 -0.44 1.11 0.00 0.00 0.00 0.00 19.45 20.64 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 2.29 0.00 -0.82 0.00 3.07 -1.44 -1.42 115.11 116.79 1cqg h GLN 63 Ca 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.98 1cqg h GLN 63 Cb 1.45 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.97 1cqg h GLN 63 CO 0.66 0.00 0.40 0.38 0.09 0.00 0.00 178.83 180.36 1cqg h ASP 64 N 0.00 1.06 -0.08 0.06 3.04 -1.87 0.36 116.42 118.99 1cqg h ASP 64 Ca 0.00 -0.12 -0.14 0.00 -3.24 0.00 0.00 57.03 53.53 1cqg h ASP 64 Cb 0.01 -0.27 0.01 0.00 -1.04 0.00 0.00 39.33 38.03 1cqg h ASP 64 CO 0.00 0.89 -0.49 0.58 -2.04 0.00 0.00 179.24 178.18 1cqg h VAL 65 N 1.16 1.38 -0.45 4.15 2.07 -1.62 -2.96 116.25 119.98 1cqg h VAL 65 Ca 0.28 -1.84 -0.13 0.00 0.82 0.00 0.00 66.70 65.83 1cqg h VAL 65 Cb 0.11 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1cqg h VAL 65 CO -0.04 0.55 -0.22 0.00 0.02 0.00 0.00 177.57 177.88 1cqg h ALA 66 N 0.45 0.63 -0.92 1.67 0.00 -1.44 -2.68 119.26 116.98 1cqg h ALA 66 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1cqg h ALA 66 Cb 1.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1cqg h ALA 66 CO 0.10 0.62 0.59 0.66 0.00 0.00 0.00 179.25 181.22 1cqg h SER 67 N 0.79 1.07 -0.72 0.00 4.64 -0.35 0.46 113.55 119.43 1cqg h SER 67 Ca 0.10 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1cqg h SER 67 Cb 0.80 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1cqg h SER 67 CO 0.07 0.79 0.30 -0.08 -0.87 0.00 0.00 176.83 177.04 1cqg h GLU 68 N 1.25 1.09 -0.01 4.77 4.81 -1.35 -2.27 114.58 122.88 1cqg h GLU 68 Ca 0.33 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1cqg h GLU 68 Cb -0.11 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.09 1cqg h GLU 68 CO -0.07 0.88 -0.08 0.00 -0.73 0.00 0.00 179.01 179.01 1cqg n ALA 69 N -2.44 2.75 -3.62 2.92 0.00 -0.68 -4.94 120.51 114.50 1cqg n ALA 69 Ca 0.07 -0.34 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 1cqg n ALA 69 Cb 0.18 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.54 -5.59 -1.87 0.00 -0.58 0.07 -4.86 120.64 107.26 1cqg n GLU 70 Ca 0.17 0.70 -0.42 0.00 -0.42 0.00 0.00 57.16 57.19 1cqg n GLU 70 Cb 0.29 -5.44 -0.02 0.00 -0.57 0.00 0.00 31.44 25.70 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 -3.54 2.38 -0.58 2.62 1.01 -1.07 -4.87 120.40 116.34 1cqg s VAL 71 Ca 0.05 0.29 0.16 0.00 0.00 0.00 0.00 61.98 62.48 1cqg s VAL 71 Cb -0.03 -3.19 -0.19 0.00 0.00 0.00 0.00 36.38 32.98 1cqg s VAL 71 CO 0.78 0.03 0.60 0.29 0.00 0.00 0.00 175.10 176.80 1cqg n LYS 72 N 3.14 1.55 -3.49 2.72 4.76 -1.26 -5.01 118.16 120.56 1cqg n LYS 72 Ca 0.11 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.40 1cqg n LYS 72 Cb 0.38 -1.27 -0.03 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 -2.61 -1.77 0.15 7.82 0.00 -1.26 -5.18 121.76 118.92 1cqg s ALA 73 Ca 0.03 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.09 1cqg s ALA 73 Cb 0.11 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1cqg s ALA 73 CO 0.65 -0.58 -0.15 0.95 0.00 0.00 0.00 175.76 176.63 1cqg s THR 74 N -2.56 1.54 0.35 0.00 -4.23 -1.26 -4.10 115.64 105.38 1cqg s THR 74 Ca -0.01 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.34 1cqg s THR 74 Cb -0.01 -1.75 -0.09 0.00 1.34 0.00 0.00 72.50 71.99 1cqg s THR 74 CO -0.04 -0.45 1.08 -2.16 -0.54 0.00 0.00 174.62 172.51 1cqg s PRO 75 N -2.98 4.34 -0.05 3.99 0.04 -1.26 -4.88 135.00 134.20 1cqg s PRO 75 Ca 0.14 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1cqg s PRO 75 Cb -0.04 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1cqg s PRO 75 CO 0.05 -0.02 -0.14 0.99 0.04 0.00 0.00 177.00 177.92 1cqg s THR 76 N -1.43 1.19 -0.13 1.26 2.01 -1.26 -2.76 115.64 114.53 1cqg s THR 76 Ca 0.52 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1cqg s THR 76 Cb -0.27 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1cqg s THR 76 CO 0.34 0.36 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.18 1cqg s PHE 77 N 0.27 2.91 -0.01 4.92 0.08 -0.47 -0.88 117.98 124.81 1cqg s PHE 77 Ca -0.07 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.66 1cqg s PHE 77 Cb -0.12 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1cqg s PHE 77 CO 0.02 -0.05 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.22 1cqg s GLN 78 N 0.16 1.76 -0.11 0.44 -0.21 -0.19 -1.74 119.66 119.76 1cqg s GLN 78 Ca -0.04 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.50 1cqg s GLN 78 Cb -0.14 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 1cqg s GLN 78 CO 0.04 0.47 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.59 1cqg s PHE 79 N -0.56 3.07 0.09 0.91 0.40 0.63 -0.09 117.98 122.42 1cqg s PHE 79 Ca 0.09 -0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.45 1cqg s PHE 79 Cb -0.09 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1cqg s PHE 79 CO -0.00 0.23 -0.19 -0.06 0.70 0.00 0.00 175.22 175.89 1cqg s PHE 80 N -0.32 1.66 -0.12 0.36 0.40 0.02 -1.83 117.98 118.15 1cqg s PHE 80 Ca 0.06 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1cqg s PHE 80 Cb -0.12 -0.92 0.05 0.00 0.51 0.00 0.00 43.02 42.53 1cqg s PHE 80 CO 0.02 0.16 0.26 0.21 0.70 0.00 0.00 175.22 176.56 1cqg s LYS 81 N -1.75 0.19 -1.37 0.44 2.47 0.19 -2.40 119.74 117.51 1cqg s LYS 81 Ca 0.05 0.61 -0.06 0.00 -1.56 0.00 0.00 55.97 55.02 1cqg s LYS 81 Cb -0.10 -0.09 0.03 0.00 -1.46 0.00 0.00 37.83 36.21 1cqg s LYS 81 CO 0.03 -0.21 0.41 1.63 0.16 0.00 0.00 175.35 177.38 1cqg n LYS 82 N 4.63 -3.61 -1.29 4.03 5.02 -1.20 0.54 118.16 126.29 1cqg n LYS 82 Ca -0.18 0.68 -0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1cqg n LYS 82 Cb 0.52 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 30.08 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 -1.22 0.91 3.15 0.72 0.00 -1.26 -5.01 105.19 102.48 1cqg n GLY 83 Ca -0.09 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.78 2.11 -0.12 1.61 -1.52 0.19 -5.11 119.66 114.05 1cqg s GLN 84 Ca 0.00 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.44 1cqg s GLN 84 Cb 0.00 -1.75 -0.01 0.00 -0.22 0.00 0.00 33.01 31.02 1cqg s GLN 84 CO 0.00 0.22 1.08 0.21 -0.25 0.00 0.00 175.29 176.55 1cqg s LYS 85 N 0.16 4.36 -0.01 2.91 2.20 -1.26 0.57 119.74 128.68 1cqg s LYS 85 Ca -0.08 1.48 0.01 0.00 -0.36 0.00 0.00 55.97 57.02 1cqg s LYS 85 Cb -0.14 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1cqg s LYS 85 CO 0.04 -0.43 0.92 1.33 -0.36 0.00 0.00 175.35 176.84 1cqg n VAL 86 N 4.76 0.86 -3.63 4.02 0.24 -0.76 -4.95 118.33 118.86 1cqg n VAL 86 Ca 0.10 -0.88 -0.03 0.00 -2.04 0.00 0.00 64.34 61.49 1cqg n VAL 86 Cb 0.47 0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.94 0.02 -0.14 7.63 0.00 -1.24 -4.97 107.32 107.68 1cqg s GLY 87 Ca 0.02 2.63 -0.29 0.00 0.00 0.00 0.00 44.72 47.08 1cqg s GLY 87 CO 0.00 1.04 0.87 1.85 0.00 0.00 0.00 173.10 176.86 1cqg s GLU 88 N -1.17 0.77 0.05 2.90 -6.30 -1.26 -0.27 118.70 113.41 1cqg s GLU 88 Ca 0.08 0.31 -0.27 0.00 -2.50 0.00 0.00 54.97 52.59 1cqg s GLU 88 Cb -0.01 0.36 0.09 0.00 0.00 0.00 0.00 34.13 34.57 1cqg s GLU 88 CO -0.06 -0.21 0.77 -0.59 0.02 0.00 0.00 175.26 175.18 1cqg s PHE 89 N -0.86 -0.44 0.21 5.30 -0.12 -0.71 -5.01 117.98 116.35 1cqg s PHE 89 Ca -0.04 0.32 0.08 0.00 -0.05 0.00 0.00 56.93 57.24 1cqg s PHE 89 Cb -0.01 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.87 1cqg s PHE 89 CO 0.04 -0.65 -0.15 -1.54 -0.05 0.00 0.00 175.22 172.87 1cqg s SER 90 N -2.45 2.62 0.00 1.98 1.04 -1.26 -1.37 113.70 114.26 1cqg s SER 90 Ca 0.02 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1cqg s SER 90 Cb -0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1cqg s SER 90 CO -0.09 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1cqg n GLY 91 N -0.39 3.74 2.72 7.32 0.00 -1.11 -4.89 105.19 112.58 1cqg n GLY 91 Ca -0.08 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.59 5.28 -3.96 4.61 0.00 -1.26 -4.77 120.51 119.82 1cqg n ALA 92 Ca 0.00 -3.40 -0.30 0.00 0.00 0.00 0.00 53.44 49.74 1cqg n ALA 92 Cb 0.00 -3.46 -0.14 0.00 0.00 0.00 0.00 19.45 15.85 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 3.47 4.44 0.31 0.00 3.04 -1.26 -4.95 114.94 120.00 1cqg s ASN 93 Ca 0.53 -2.80 0.07 0.00 0.04 0.00 0.00 52.86 50.70 1cqg s ASN 93 Cb 0.14 -1.64 0.51 0.00 -1.54 0.00 0.00 41.25 38.72 1cqg s ASN 93 CO -0.02 -0.27 1.74 0.07 -3.04 0.00 0.00 177.10 175.58 1cqg h LYS 94 N 6.78 0.26 -0.06 0.43 -0.00 -1.95 -2.74 116.57 119.28 1cqg h LYS 94 Ca -0.07 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.65 60.43 1cqg h LYS 94 Cb 0.92 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.14 1cqg h LYS 94 CO 0.65 0.58 -0.16 0.93 -0.00 0.00 0.00 179.45 181.45 1cqg h GLU 95 N 0.22 0.09 -0.53 0.07 4.39 -2.00 -2.09 114.58 114.75 1cqg h GLU 95 Ca 0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1cqg h GLU 95 Cb 0.72 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1cqg h GLU 95 CO 0.05 0.26 0.33 -0.22 -1.16 0.00 0.00 179.01 178.27 1cqg h LYS 96 N 0.09 0.70 -0.90 2.33 3.64 -1.91 -0.91 116.57 119.61 1cqg h LYS 96 Ca 0.02 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 96 Cb 0.34 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1cqg h LYS 96 CO 0.02 0.48 0.59 -0.07 -2.27 0.00 0.00 179.45 178.21 1cqg h LEU 97 N 0.72 1.02 -0.57 5.20 3.38 -1.47 -2.12 115.31 121.48 1cqg h LEU 97 Ca 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1cqg h LEU 97 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1cqg h LEU 97 CO -0.04 0.74 0.32 -0.08 0.09 0.00 0.00 178.44 179.47 1cqg h GLU 98 N 1.21 0.80 -0.24 1.13 4.81 -1.22 -1.88 114.58 119.18 1cqg h GLU 98 Ca 0.33 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1cqg h GLU 98 Cb -0.12 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.10 1cqg h GLU 98 CO -0.08 0.60 -0.25 0.00 -0.73 0.00 0.00 179.01 178.56 1cqg h ALA 99 N 1.15 0.35 -0.74 2.92 0.00 -1.30 -2.54 119.26 119.09 1cqg h ALA 99 Ca 0.20 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1cqg h ALA 99 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1cqg h ALA 99 CO -0.03 0.32 0.22 1.15 0.00 0.00 0.00 179.25 180.91 1cqg h THR 100 N 0.29 1.26 -0.09 0.00 2.02 -1.30 0.11 112.91 115.19 1cqg h THR 100 Ca 0.04 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1cqg h THR 100 Cb 0.80 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1cqg h THR 100 CO 0.06 0.37 0.05 0.40 0.37 0.00 0.00 175.52 176.77 1cqg h ILE 101 N 1.11 1.08 -0.45 3.11 2.04 -1.34 0.42 117.51 123.48 1cqg h ILE 101 Ca 0.24 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1cqg h ILE 101 Cb 0.33 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1cqg h ILE 101 CO -0.00 0.07 0.26 -1.13 0.00 0.00 0.00 178.15 177.34 1cqg h ASN 102 N 0.07 0.53 -0.49 1.72 -0.73 -1.17 0.64 115.58 116.14 1cqg h ASN 102 Ca 0.03 -0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.05 1cqg h ASN 102 Cb 0.06 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1cqg h ASN 102 CO -0.01 0.42 -0.20 -0.08 -0.37 0.00 0.00 177.43 177.19 1cqg h GLU 103 N 0.62 1.01 -0.05 6.67 4.57 0.29 -3.17 114.58 124.52 1cqg h GLU 103 Ca 0.16 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1cqg h GLU 103 Cb -0.01 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1cqg h GLU 103 CO -0.03 1.10 0.00 1.28 -1.18 0.00 0.00 179.01 180.18 1cqg n LEU 104 N -4.11 3.00 0.00 1.64 4.77 0.04 -5.08 117.00 117.25 1cqg n LEU 104 Ca 0.00 -1.02 0.05 0.00 -0.03 0.00 0.00 56.01 55.01 1cqg n LEU 104 Cb 0.45 -0.01 0.30 0.00 -2.33 0.00 0.00 43.42 41.83 1cqg n LEU 104 CO 0.47 0.51 0.52 0.55 -1.33 0.00 0.00 177.39 178.10