#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 5.41 -0.04 2.03 1.01 -1.26 -2.12 120.40 125.44 1cqg s VAL 2 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1cqg s VAL 2 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1cqg s VAL 2 CO 0.00 0.47 -0.08 -0.75 0.00 0.00 0.00 175.10 174.74 1cqg s LYS 3 N 0.07 1.03 -0.23 2.72 2.47 -0.87 -5.03 119.74 119.90 1cqg s LYS 3 Ca 0.11 -0.27 -0.13 0.00 -1.56 0.00 0.00 55.97 54.12 1cqg s LYS 3 Cb -0.12 -0.95 -0.05 0.00 -1.46 0.00 0.00 37.83 35.26 1cqg s LYS 3 CO 0.00 0.05 0.26 -1.14 0.16 0.00 0.00 175.35 174.68 1cqg s GLN 4 N 0.43 4.09 -0.33 4.03 0.74 -1.26 -1.47 119.66 125.89 1cqg s GLN 4 Ca -0.07 -0.10 -0.12 0.00 0.05 0.00 0.00 55.36 55.13 1cqg s GLN 4 Cb -0.11 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 1cqg s GLN 4 CO 0.01 -0.03 0.21 0.42 -0.55 0.00 0.00 175.29 175.35 1cqg s ILE 5 N 1.31 5.08 -2.81 -2.34 -1.09 -1.02 -4.92 121.20 115.42 1cqg s ILE 5 Ca 0.12 -0.24 0.24 0.00 -2.23 0.00 0.00 60.65 58.53 1cqg s ILE 5 Cb -0.14 -3.59 0.16 0.00 -1.58 0.00 0.00 42.46 37.31 1cqg s ILE 5 CO 0.07 0.04 1.24 -0.62 -1.23 0.00 0.00 174.94 174.44 1cqg n GLU 6 N 5.07 2.10 -3.71 2.79 -0.58 -1.26 -4.43 120.64 120.62 1cqg n GLU 6 Ca -0.13 -1.73 -0.13 0.00 -0.42 0.00 0.00 57.16 54.75 1cqg n GLU 6 Cb 0.50 -1.46 -0.07 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 -2.09 -0.22 0.40 1.62 1.04 -1.26 -4.50 113.70 108.68 1cqg s SER 7 Ca 0.27 -0.03 0.11 0.00 0.48 0.00 0.00 55.95 56.77 1cqg s SER 7 Cb 0.20 0.39 0.82 0.00 0.10 0.00 0.00 66.02 67.53 1cqg s SER 7 CO 0.35 -0.61 1.93 0.50 0.98 0.00 0.00 173.24 176.39 1cqg h LYS 8 N 3.22 0.18 -0.35 4.02 3.64 -1.92 -1.81 116.57 123.55 1cqg h LYS 8 Ca -0.31 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1cqg h LYS 8 Cb 1.20 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1cqg h LYS 8 CO 0.44 0.34 0.17 1.15 -2.27 0.00 0.00 179.45 179.27 1cqg h THR 9 N 0.17 0.97 -0.04 1.00 2.02 -1.98 -0.35 112.91 114.70 1cqg h THR 9 Ca 0.03 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1cqg h THR 9 Cb 0.37 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1cqg h THR 9 CO 0.02 0.06 -0.39 0.00 0.37 0.00 0.00 175.52 175.59 1cqg h ALA 10 N 1.19 1.27 -0.61 6.16 0.00 -1.85 -2.65 119.26 122.77 1cqg h ALA 10 Ca 0.15 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 10 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1cqg h ALA 10 CO -0.11 0.52 0.39 0.35 0.00 0.00 0.00 179.25 180.41 1cqg h PHE 11 N 0.08 0.74 -0.54 0.00 3.57 -0.27 0.40 116.94 120.91 1cqg h PHE 11 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 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 0.00 0.45 0.07 1.96 -2.23 0.00 0.00 178.31 178.56 1cqg h GLN 12 N 0.79 0.91 -0.55 1.11 1.08 -1.06 -1.64 115.11 115.76 1cqg h GLN 12 Ca 0.24 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1cqg h GLN 12 Cb -0.04 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 1cqg h GLN 12 CO -0.07 0.89 0.09 0.93 -0.95 0.00 0.00 178.83 179.72 1cqg h GLU 13 N 0.80 0.87 -0.37 1.46 4.39 -0.98 -2.21 114.58 118.54 1cqg h GLU 13 Ca 0.16 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1cqg h GLU 13 Cb 0.44 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1cqg h GLU 13 CO 0.01 0.81 -0.19 0.00 -1.16 0.00 0.00 179.01 178.48 1cqg h ALA 14 N 1.27 0.52 -0.94 3.43 0.00 0.07 -0.67 119.26 122.95 1cqg h ALA 14 Ca 0.17 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 14 Cb 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1cqg h ALA 14 CO 0.01 0.47 0.61 -0.07 0.00 0.00 0.00 179.25 180.27 1cqg h LEU 15 N 0.58 1.08 -0.67 0.00 3.38 -1.07 -0.91 115.31 117.71 1cqg h LEU 15 Ca 0.08 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1cqg h LEU 15 Cb 0.75 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1cqg h LEU 15 CO 0.06 0.79 -0.30 -0.78 0.09 0.00 0.00 178.44 178.30 1cqg h ASP 16 N 1.27 0.73 -0.20 -0.43 3.58 -1.20 -3.06 116.42 117.12 1cqg h ASP 16 Ca 0.34 -0.29 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 1cqg h ASP 16 Cb -0.13 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.70 1cqg h ASP 16 CO -0.07 0.98 -0.27 0.00 -2.88 0.00 0.00 179.24 177.00 1cqg h ALA 17 N 1.06 0.91 -0.25 -0.78 0.00 -0.25 -2.75 119.26 117.21 1cqg h ALA 17 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1cqg h ALA 17 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cqg h ALA 17 CO 0.07 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 1cqg h ALA 18 N 1.12 1.51 -0.61 0.00 0.00 -1.10 -3.47 119.26 116.71 1cqg h ALA 18 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1cqg h ALA 18 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1cqg h ALA 18 CO 0.06 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1cqg n GLY 19 N -1.00 3.03 0.49 0.00 0.00 -1.04 -2.10 105.19 104.57 1cqg n GLY 19 Ca 0.01 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 7.65 1.51 -4.78 1.61 8.00 -1.26 -2.66 116.55 126.62 1cqg n ASP 20 Ca 0.00 -1.52 -0.36 0.00 0.71 0.00 0.00 54.79 53.62 1cqg n ASP 20 Cb 0.00 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.97 3.94 0.92 -1.24 1.02 -0.89 -4.72 119.74 116.78 1cqg s LYS 21 Ca 0.37 1.51 -0.10 0.00 0.02 0.00 0.00 55.97 57.77 1cqg s LYS 21 Cb 0.21 -2.34 0.13 0.00 -0.52 0.00 0.00 37.83 35.31 1cqg s LYS 21 CO 0.33 -0.34 1.08 -0.11 -0.92 0.00 0.00 175.35 175.38 1cqg n LEU 22 N -0.50 3.04 -3.67 3.17 0.00 -1.26 -4.57 117.00 113.22 1cqg n LEU 22 Ca 0.07 0.42 -0.14 0.00 0.00 0.00 0.00 56.01 56.37 1cqg n LEU 22 Cb 0.50 -1.45 -0.13 0.00 0.00 0.00 0.00 43.42 42.34 1cqg n LEU 22 CO 0.43 -2.28 -0.14 -0.69 0.00 0.00 0.00 177.39 174.71 1cqg s VAL 23 N -2.58 -0.35 -0.07 1.96 1.01 -0.53 -2.05 120.40 117.78 1cqg s VAL 23 Ca 0.66 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1cqg s VAL 23 Cb -0.23 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1cqg s VAL 23 CO 0.59 0.11 -0.05 -0.69 0.00 0.00 0.00 175.10 175.06 1cqg s VAL 24 N 2.26 3.85 -0.15 2.92 1.01 -0.78 -0.40 120.40 129.12 1cqg s VAL 24 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1cqg s VAL 24 Cb -0.12 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1cqg s VAL 24 CO -0.08 0.60 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 1cqg s VAL 25 N -0.83 1.67 -0.31 2.92 1.01 0.47 -0.27 120.40 125.07 1cqg s VAL 25 Ca 0.13 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1cqg s VAL 25 Cb -0.11 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1cqg s VAL 25 CO 0.02 0.48 0.28 -0.62 0.00 0.00 0.00 175.10 175.26 1cqg s ASP 26 N 1.32 6.12 -0.26 3.32 2.15 -0.08 -1.30 116.67 127.93 1cqg s ASP 26 Ca 0.02 -0.11 0.06 0.00 0.43 0.00 0.00 52.55 52.95 1cqg s ASP 26 Cb -0.13 -2.16 0.53 0.00 -0.30 0.00 0.00 42.92 40.86 1cqg s ASP 26 CO -0.09 -0.20 1.56 0.49 -0.17 0.00 0.00 175.17 176.76 1cqg n PHE 27 N 5.21 1.93 -1.73 -5.34 3.72 -0.12 0.36 117.46 121.49 1cqg n PHE 27 Ca -0.11 -1.07 -0.38 0.00 -0.05 0.00 0.00 57.45 55.83 1cqg n PHE 27 Cb 0.50 -0.61 0.04 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.20 2.50 -4.69 4.37 7.64 -1.23 -4.33 113.62 117.68 1cqg n SER 28 Ca 0.34 0.96 -0.42 0.00 1.01 0.00 0.00 58.87 60.76 1cqg n SER 28 Cb 1.18 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.30 3.37 0.33 -0.43 0.00 -1.26 -4.15 121.76 118.31 1cqg s ALA 29 Ca 0.72 0.28 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1cqg s ALA 29 Cb -0.42 -3.27 0.56 0.00 0.00 0.00 0.00 23.12 19.99 1cqg s ALA 29 CO 0.49 -0.44 1.76 0.00 0.00 0.00 0.00 175.76 177.56 1cqg h THR 30 N 4.99 1.29 0.00 0.00 1.03 -1.91 -2.52 112.91 115.79 1cqg h THR 30 Ca -0.35 -1.39 -0.04 0.00 -0.01 0.00 0.00 66.41 64.63 1cqg h THR 30 Cb 1.17 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.89 1cqg h THR 30 CO 0.81 0.41 -0.17 4.11 -0.01 0.00 0.00 175.52 180.67 1cqg h TRP 31 N 0.14 0.00 -3.66 0.00 5.08 -2.02 -3.42 115.95 112.07 1cqg h TRP 31 Ca 0.01 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.40 1cqg h TRP 31 Cb 0.73 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.80 1cqg h TRP 31 CO 0.01 0.17 0.69 0.00 -1.28 0.00 0.00 178.44 178.03 1cqg h GLY 33 N 10.73 -0.01 0.38 0.00 0.00 -1.84 -0.77 103.07 111.56 1cqg h GLY 33 Ca -0.24 0.04 0.19 0.00 0.00 0.00 0.00 47.33 47.32 1cqg h GLY 33 CO 1.06 -0.04 0.58 -2.55 0.00 0.00 0.00 176.54 175.59 1cqg h PRO 34 N -0.05 0.40 0.01 4.80 0.11 -1.94 0.25 132.00 135.58 1cqg h PRO 34 Ca 0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cqg h PRO 34 Cb 0.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1cqg h PRO 34 CO -0.05 0.27 -0.00 0.00 -0.21 0.00 0.00 178.00 178.00 1cqg h ALA 35 N 1.62 -0.01 -0.53 -0.75 0.00 -1.70 -3.25 119.26 114.65 1cqg h ALA 35 Ca 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cqg h ALA 35 Cb 1.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1cqg h ALA 35 CO -0.17 -0.06 0.34 -0.22 0.00 0.00 0.00 179.25 179.15 1cqg h LYS 36 N -0.91 0.70 -0.10 0.00 3.64 -0.69 -0.66 116.57 118.54 1cqg h LYS 36 Ca -0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 36 Cb 0.84 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1cqg h LYS 36 CO 0.00 0.47 0.09 1.98 -2.27 0.00 0.00 179.45 179.72 1cqg h MET 37 N 0.72 0.00 -0.00 1.90 4.05 -0.59 0.69 114.93 121.69 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 -0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1cqg h MET 37 CO -0.04 0.00 -0.09 -0.89 0.23 0.00 0.00 176.91 176.12 1cqg n ILE 38 N -4.11 0.00 0.22 1.77 5.41 -0.26 -4.15 119.36 118.24 1cqg n ILE 38 Ca -0.01 -0.08 0.08 0.00 1.00 0.00 0.00 62.75 63.74 1cqg n ILE 38 Cb 0.20 -0.04 0.52 0.00 -0.71 0.00 0.00 39.64 39.60 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 0.74 0.00 -0.97 0.38 2.10 -0.86 -3.20 116.57 114.76 1cqg h LYS 39 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 1cqg h LYS 39 Cb 0.34 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.61 1cqg h LYS 39 CO 0.00 0.24 0.62 -1.35 -2.00 0.00 0.00 179.45 176.97 1cqg h PRO 40 N 0.00 1.02 -0.19 0.07 0.11 -1.78 0.67 132.00 131.90 1cqg h PRO 40 Ca -0.00 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1cqg h PRO 40 Cb 0.54 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1cqg h PRO 40 CO 0.03 0.67 -0.08 0.74 -0.21 0.00 0.00 178.00 179.15 1cqg h PHE 41 N 1.05 0.46 0.21 0.65 -1.00 -1.88 1.13 116.94 117.56 1cqg h PHE 41 Ca 0.44 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 61.10 1cqg h PHE 41 Cb 0.30 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1cqg h PHE 41 CO -0.00 0.69 -0.10 0.35 -1.61 0.00 0.00 178.31 177.63 1cqg h PHE 42 N 0.10 -0.27 -0.24 -0.55 3.57 -1.44 0.17 116.94 118.28 1cqg h PHE 42 Ca 0.04 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1cqg h PHE 42 Cb 0.56 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1cqg h PHE 42 CO 0.06 -0.16 -0.05 1.25 -2.23 0.00 0.00 178.31 177.18 1cqg h HIS 43 N -0.29 0.52 -0.84 0.41 2.76 0.35 -3.06 115.15 115.00 1cqg h HIS 43 Ca -0.03 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.04 1cqg h HIS 43 Cb 0.22 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 1cqg h HIS 43 CO -0.06 0.68 0.54 0.77 -1.30 0.00 0.00 177.93 178.56 1cqg h SER 44 N 0.21 0.97 0.24 3.26 0.02 0.15 -1.83 113.55 116.57 1cqg h SER 44 Ca 0.06 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1cqg h SER 44 Cb 0.51 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1cqg h SER 44 CO 0.02 0.71 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.29 1cqg h LEU 45 N 1.14 0.00 -1.38 5.07 3.38 -0.55 -2.49 115.31 120.48 1cqg h LEU 45 Ca 0.31 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.44 1cqg h LEU 45 Cb -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1cqg h LEU 45 CO -0.06 0.07 0.57 0.28 0.09 0.00 0.00 178.44 179.39 1cqg h SER 46 N 0.00 0.55 1.17 -0.43 0.02 -1.30 0.80 113.55 114.37 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 0.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1cqg h SER 46 CO 0.01 0.26 -0.42 -0.33 -1.14 0.00 0.00 176.83 175.21 1cqg h GLU 47 N 0.57 0.00 0.15 3.45 3.07 -1.61 -2.61 114.58 117.60 1cqg h GLU 47 Ca 0.45 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.01 1cqg h GLU 47 Cb 0.87 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.80 1cqg h GLU 47 CO -0.19 0.00 -1.28 -0.22 -1.40 0.00 0.00 179.01 175.92 1cqg h LYS 48 N 0.00 0.45 -2.16 2.33 3.64 0.43 -3.35 116.57 117.90 1cqg h LYS 48 Ca 0.00 -0.68 -0.59 0.00 -1.27 0.00 0.00 60.65 58.11 1cqg h LYS 48 Cb 0.80 0.24 -0.41 0.00 -0.41 0.00 0.00 32.23 32.45 1cqg h LYS 48 CO 0.00 1.31 -0.69 0.66 -2.27 0.00 0.00 179.45 178.46 1cqg n TYR 49 N -3.67 2.97 0.29 1.91 4.01 0.90 -4.86 117.16 118.71 1cqg n TYR 49 Ca -0.12 -4.04 0.09 0.00 -0.16 0.00 0.00 57.90 53.67 1cqg n TYR 49 Cb 1.02 -0.52 0.44 0.00 -0.31 0.00 0.00 39.34 39.97 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 0.84 0.46 -0.07 7.72 3.41 -0.99 -0.23 113.62 124.77 1cqg n SER 50 Ca 0.28 0.65 0.15 0.00 -0.26 0.00 0.00 58.87 59.69 1cqg n SER 50 Cb 0.43 -0.73 0.74 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.05 0.25 -4.37 4.04 5.15 -1.26 -4.38 115.26 112.65 1cqg n ASN 51 Ca 0.01 -0.57 -0.31 0.00 -0.60 0.00 0.00 54.58 53.11 1cqg n ASN 51 Cb 0.13 -0.12 -0.15 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 -2.37 2.35 -0.25 3.44 1.01 0.69 -4.39 120.40 120.88 1cqg s VAL 52 Ca 0.34 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1cqg s VAL 52 Cb 0.21 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1cqg s VAL 52 CO 0.44 0.50 0.26 -0.63 0.00 0.00 0.00 175.10 175.67 1cqg s ILE 53 N -0.72 5.27 -0.18 2.22 -1.09 -0.87 -3.74 121.20 122.08 1cqg s ILE 53 Ca 0.11 0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 1cqg s ILE 53 Cb -0.10 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1cqg s ILE 53 CO 0.01 0.26 0.11 -0.36 -1.23 0.00 0.00 174.94 173.73 1cqg s PHE 54 N 1.55 3.39 -0.02 3.97 0.40 -0.90 -1.86 117.98 124.51 1cqg s PHE 54 Ca 0.11 0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.79 1cqg s PHE 54 Cb -0.15 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 1cqg s PHE 54 CO 0.08 0.32 -0.19 -0.51 0.70 0.00 0.00 175.22 175.63 1cqg s LEU 55 N 0.15 2.50 -0.15 -0.37 1.02 0.63 -2.05 118.68 120.41 1cqg s LEU 55 Ca 0.08 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 53.88 1cqg s LEU 55 Cb -0.11 -1.48 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 1cqg s LEU 55 CO -0.01 0.32 -0.06 -0.70 0.02 0.00 0.00 176.35 175.93 1cqg s GLU 56 N -0.83 3.61 -0.04 1.70 2.12 -0.54 -0.90 118.70 123.82 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 -0.10 -2.85 -0.00 0.00 0.26 0.00 0.00 34.13 31.44 1cqg s GLU 56 CO 0.01 0.24 -0.14 0.08 -0.54 0.00 0.00 175.26 174.90 1cqg s VAL 57 N 0.35 1.22 -0.28 3.70 1.01 0.16 -2.42 120.40 124.14 1cqg s VAL 57 Ca -0.06 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1cqg s VAL 57 Cb -0.15 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1cqg s VAL 57 CO 0.04 0.36 0.32 -0.62 0.00 0.00 0.00 175.10 175.19 1cqg s ASP 58 N 0.12 6.18 0.43 3.32 -1.08 -1.26 -3.53 116.67 120.85 1cqg s ASP 58 Ca -0.04 0.17 0.30 0.00 -0.52 0.00 0.00 52.55 52.46 1cqg s ASP 58 Cb -0.11 -2.18 1.29 0.00 -1.46 0.00 0.00 42.92 40.46 1cqg s ASP 58 CO 0.02 -0.15 1.89 -0.37 0.52 0.00 0.00 175.17 177.08 1cqg h VAL 59 N 5.39 0.00 0.07 1.11 -1.51 -1.75 0.87 116.25 120.42 1cqg h VAL 59 Ca -0.32 -0.34 -0.37 0.00 -1.23 0.00 0.00 66.70 64.44 1cqg h VAL 59 Cb 1.17 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 31.50 1cqg h VAL 59 CO 0.62 0.00 -2.16 0.47 -1.23 0.00 0.00 177.57 175.27 1cqg n ASP 60 N -2.71 2.05 0.02 4.19 9.92 -1.26 -2.98 116.55 125.78 1cqg n ASP 60 Ca 0.01 0.10 0.11 0.00 -0.53 0.00 0.00 54.79 54.48 1cqg n ASP 60 Cb 0.24 -0.70 -0.08 0.00 -0.64 0.00 0.00 41.12 39.94 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 -3.49 0.47 -2.17 -2.24 8.00 -1.19 -4.18 116.55 111.74 1cqg n ASP 61 Ca -0.38 -0.20 -0.19 0.00 0.71 0.00 0.00 54.79 54.74 1cqg n ASP 61 Cb 1.00 1.25 0.03 0.00 -0.02 0.00 0.00 41.12 43.38 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 -1.98 4.51 0.30 2.24 0.00 0.30 -4.81 120.51 121.07 1cqg n ALA 62 Ca -0.00 -3.57 0.16 0.00 0.00 0.00 0.00 53.44 50.03 1cqg n ALA 62 Cb 0.48 -0.43 0.96 0.00 0.00 0.00 0.00 19.45 20.46 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 2.25 0.00 -0.57 0.00 3.07 -1.42 -1.09 115.11 117.35 1cqg h GLN 63 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.95 1cqg h GLN 63 Cb 1.48 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.02 1cqg h GLN 63 CO 0.63 0.00 0.15 0.38 0.09 0.00 0.00 178.83 180.08 1cqg h ASP 64 N 0.00 0.81 -0.21 0.06 3.04 -1.87 0.50 116.42 118.75 1cqg h ASP 64 Ca -0.00 -0.14 -0.10 0.00 -3.24 0.00 0.00 57.03 53.55 1cqg h ASP 64 Cb 0.01 -0.21 -0.00 0.00 -1.04 0.00 0.00 39.33 38.08 1cqg h ASP 64 CO 0.00 0.78 -0.27 0.58 -2.04 0.00 0.00 179.24 178.30 1cqg h VAL 65 N 0.84 1.33 -0.15 4.15 2.07 -1.54 -3.04 116.25 119.91 1cqg h VAL 65 Ca 0.18 -1.46 -0.19 0.00 0.82 0.00 0.00 66.70 66.05 1cqg h VAL 65 Cb 0.29 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1cqg h VAL 65 CO -0.00 0.45 -0.69 0.00 0.02 0.00 0.00 177.57 177.34 1cqg h ALA 66 N 0.64 0.50 -0.57 1.67 0.00 -1.32 -3.15 119.26 117.03 1cqg h ALA 66 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1cqg h ALA 66 Cb 0.83 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1cqg h ALA 66 CO 0.06 0.71 0.36 0.66 0.00 0.00 0.00 179.25 181.05 1cqg h SER 67 N 0.44 0.66 -0.48 0.00 4.64 -0.04 -0.04 113.55 118.73 1cqg h SER 67 Ca -0.03 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1cqg h SER 67 Cb 1.28 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1cqg h SER 67 CO 0.13 0.49 0.13 -0.08 -0.87 0.00 0.00 176.83 176.64 1cqg h GLU 68 N 0.77 0.82 -0.01 4.77 4.22 -1.49 -2.15 114.58 121.52 1cqg h GLU 68 Ca 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1cqg h GLU 68 Cb -0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1cqg h GLU 68 CO -0.04 0.74 -0.09 0.00 -2.18 0.00 0.00 179.01 177.43 1cqg n ALA 69 N -2.46 2.76 -3.65 2.92 0.00 -0.45 -4.94 120.51 114.69 1cqg n ALA 69 Ca 0.04 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 1cqg n ALA 69 Cb 0.22 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.34 -5.43 -1.94 0.00 -0.58 -0.16 -4.86 120.64 107.34 1cqg n GLU 70 Ca 0.17 0.68 -0.42 0.00 -0.42 0.00 0.00 57.16 57.17 1cqg n GLU 70 Cb 0.32 -5.37 -0.02 0.00 -0.57 0.00 0.00 31.44 25.79 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 2.53 -0.58 2.62 1.01 -1.13 -4.88 120.40 116.41 1cqg s VAL 71 Ca 0.06 0.42 0.16 0.00 0.00 0.00 0.00 61.98 62.62 1cqg s VAL 71 Cb -0.03 -3.27 -0.19 0.00 0.00 0.00 0.00 36.38 32.89 1cqg s VAL 71 CO 0.79 0.05 0.61 0.29 0.00 0.00 0.00 175.10 176.84 1cqg n LYS 72 N 2.97 1.42 -3.48 2.72 4.76 -1.26 -5.01 118.16 120.27 1cqg n LYS 72 Ca 0.10 -0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 1cqg n LYS 72 Cb 0.39 -1.29 -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 -2.66 -1.73 0.13 7.82 0.00 -1.26 -5.18 121.76 118.87 1cqg s ALA 73 Ca 0.03 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.02 1cqg s ALA 73 Cb 0.12 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1cqg s ALA 73 CO 0.67 -0.58 -0.14 0.95 0.00 0.00 0.00 175.76 176.65 1cqg s THR 74 N -2.58 1.35 0.30 0.00 -4.23 -1.26 -4.13 115.64 105.10 1cqg s THR 74 Ca -0.02 -1.79 -0.28 0.00 -1.18 0.00 0.00 61.69 58.42 1cqg s THR 74 Cb -0.01 -1.60 -0.09 0.00 1.34 0.00 0.00 72.50 72.14 1cqg s THR 74 CO -0.04 -0.46 1.05 -2.16 -0.54 0.00 0.00 174.62 172.47 1cqg s PRO 75 N -2.84 4.56 -0.03 3.99 0.04 -1.26 -4.91 135.00 134.56 1cqg s PRO 75 Ca 0.11 1.64 0.04 0.00 0.04 0.00 0.00 61.00 62.83 1cqg s PRO 75 Cb -0.04 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 1cqg s PRO 75 CO 0.03 0.19 -0.16 0.99 0.04 0.00 0.00 177.00 178.09 1cqg s THR 76 N -1.32 1.29 -0.13 1.26 2.01 -1.26 -2.85 115.64 114.64 1cqg s THR 76 Ca 0.47 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1cqg s THR 76 Cb -0.27 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1cqg s THR 76 CO 0.35 0.37 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.16 1cqg s PHE 77 N -0.11 2.83 -0.02 4.92 0.08 -0.47 -0.95 117.98 124.26 1cqg s PHE 77 Ca 0.00 -0.62 0.08 0.00 0.12 0.00 0.00 56.93 56.52 1cqg s PHE 77 Cb -0.09 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1cqg s PHE 77 CO 0.01 -0.20 -0.25 -0.65 -0.10 0.00 0.00 175.22 174.03 1cqg s GLN 78 N 0.34 2.05 -0.14 0.44 -0.21 -0.42 -1.98 119.66 119.74 1cqg s GLN 78 Ca -0.10 -0.90 -0.04 0.00 0.02 0.00 0.00 55.36 54.33 1cqg s GLN 78 Cb -0.16 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1cqg s GLN 78 CO 0.06 0.54 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.70 1cqg s PHE 79 N -0.59 3.10 0.04 0.91 0.40 0.16 -0.39 117.98 121.61 1cqg s PHE 79 Ca 0.10 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.40 1cqg s PHE 79 Cb -0.10 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1cqg s PHE 79 CO -0.01 0.15 -0.16 -0.06 0.70 0.00 0.00 175.22 175.84 1cqg s PHE 80 N -0.02 1.39 -0.12 0.36 0.08 0.47 -0.91 117.98 119.23 1cqg s PHE 80 Ca 0.02 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 1cqg s PHE 80 Cb -0.13 -0.82 0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1cqg s PHE 80 CO 0.02 0.06 0.29 0.21 -0.10 0.00 0.00 175.22 175.69 1cqg s LYS 81 N -1.21 0.26 -1.51 0.44 2.20 0.13 -1.46 119.74 118.59 1cqg s LYS 81 Ca 0.03 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1cqg s LYS 81 Cb -0.08 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1cqg s LYS 81 CO 0.02 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.49 1cqg n LYS 82 N 4.08 -1.82 -1.00 4.03 5.02 -1.09 -0.23 118.16 127.15 1cqg n LYS 82 Ca -0.23 0.85 -0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1cqg n LYS 82 Cb 0.54 -5.42 -0.00 0.00 -0.02 0.00 0.00 35.03 30.13 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 -0.79 0.44 3.21 0.72 0.00 -1.26 -5.04 105.19 102.48 1cqg n GLY 83 Ca -0.19 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.07 1.51 -0.05 1.61 -0.21 0.68 -5.11 119.66 117.02 1cqg s GLN 84 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.32 1cqg s GLN 84 Cb 0.00 -1.50 -0.02 0.00 1.00 0.00 0.00 33.01 32.48 1cqg s GLN 84 CO 0.00 0.40 1.06 0.21 -2.12 0.00 0.00 175.29 174.84 1cqg s LYS 85 N -0.68 4.44 -0.02 2.91 2.20 -1.26 0.17 119.74 127.51 1cqg s LYS 85 Ca 0.07 1.49 0.03 0.00 -0.36 0.00 0.00 55.97 57.20 1cqg s LYS 85 Cb -0.08 -3.51 0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1cqg s LYS 85 CO 0.00 -0.27 0.94 1.33 -0.36 0.00 0.00 175.35 176.99 1cqg n VAL 86 N 4.34 0.93 -3.63 4.02 0.24 -0.09 -4.94 118.33 119.21 1cqg n VAL 86 Ca 0.08 -0.98 -0.03 0.00 -2.04 0.00 0.00 64.34 61.37 1cqg n VAL 86 Cb 0.49 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.10 -0.06 -0.28 7.63 0.00 -1.21 -4.92 107.32 107.38 1cqg s GLY 87 Ca 0.05 2.36 -0.22 0.00 0.00 0.00 0.00 44.72 46.91 1cqg s GLY 87 CO 0.00 0.89 0.89 1.85 0.00 0.00 0.00 173.10 176.74 1cqg s GLU 88 N -1.50 0.59 0.06 2.90 2.56 -1.26 -0.67 118.70 121.38 1cqg s GLU 88 Ca 0.09 0.80 -0.26 0.00 0.00 0.00 0.00 54.97 55.60 1cqg s GLU 88 Cb -0.01 0.23 0.09 0.00 2.00 0.00 0.00 34.13 36.44 1cqg s GLU 88 CO -0.05 -0.09 0.74 -0.59 -0.56 0.00 0.00 175.26 174.71 1cqg s PHE 89 N 0.70 -0.47 0.19 5.30 -0.12 -0.84 -5.02 117.98 117.73 1cqg s PHE 89 Ca -0.02 0.38 0.07 0.00 -0.05 0.00 0.00 56.93 57.30 1cqg s PHE 89 Cb -0.05 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.83 1cqg s PHE 89 CO -0.08 -0.68 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.74 1cqg s SER 90 N -2.41 2.36 0.00 1.98 1.04 -1.26 -1.36 113.70 114.04 1cqg s SER 90 Ca 0.01 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1cqg s SER 90 Cb -0.01 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1cqg s SER 90 CO -0.08 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1cqg n GLY 91 N -0.34 3.98 2.67 7.32 0.00 -1.13 -4.90 105.19 112.79 1cqg n GLY 91 Ca -0.08 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.78 5.47 -4.00 4.61 0.00 -1.26 -4.78 120.51 119.76 1cqg n ALA 92 Ca 0.00 -3.27 -0.31 0.00 0.00 0.00 0.00 53.44 49.86 1cqg n ALA 92 Cb 0.00 -3.40 -0.15 0.00 0.00 0.00 0.00 19.45 15.90 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 3.34 4.67 0.28 0.00 3.04 -1.26 -4.96 114.94 120.04 1cqg s ASN 93 Ca 0.54 -2.35 0.05 0.00 0.04 0.00 0.00 52.86 51.13 1cqg s ASN 93 Cb 0.14 -1.63 0.40 0.00 -1.54 0.00 0.00 41.25 38.62 1cqg s ASN 93 CO -0.03 -0.35 1.67 0.07 -3.04 0.00 0.00 177.10 175.43 1cqg h LYS 94 N 7.36 0.32 -0.01 0.43 -0.00 -1.94 -2.85 116.57 119.89 1cqg h LYS 94 Ca -0.05 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.65 60.39 1cqg h LYS 94 Cb 0.99 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.21 1cqg h LYS 94 CO 0.56 0.68 -0.26 0.93 -0.00 0.00 0.00 179.45 181.36 1cqg h GLU 95 N 0.27 0.01 -0.46 0.07 4.39 -2.00 -2.24 114.58 114.62 1cqg h GLU 95 Ca 0.02 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1cqg h GLU 95 Cb 0.83 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1cqg h GLU 95 CO 0.07 0.26 0.27 -0.22 -1.16 0.00 0.00 179.01 178.24 1cqg h LYS 96 N 0.01 0.62 -1.00 2.33 3.64 -1.93 -1.16 116.57 119.08 1cqg h LYS 96 Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 96 Cb 0.46 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1cqg h LYS 96 CO 0.03 0.44 0.66 -0.07 -2.27 0.00 0.00 179.45 178.24 1cqg h LEU 97 N 0.63 1.13 -0.50 5.20 3.38 -1.49 -1.39 115.31 122.27 1cqg h LEU 97 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1cqg h LEU 97 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1cqg h LEU 97 CO -0.03 0.80 0.21 -0.08 0.09 0.00 0.00 178.44 179.43 1cqg h GLU 98 N 1.32 0.74 -0.27 1.13 4.81 -1.28 -0.17 114.58 120.85 1cqg h GLU 98 Ca 0.38 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1cqg h GLU 98 Cb -0.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1cqg h GLU 98 CO -0.10 0.64 -0.08 0.00 -0.73 0.00 0.00 179.01 178.75 1cqg h ALA 99 N 1.06 0.38 -0.73 2.92 0.00 -1.21 0.40 119.26 122.08 1cqg h ALA 99 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 99 Cb 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1cqg h ALA 99 CO -0.02 0.20 0.20 1.15 0.00 0.00 0.00 179.25 180.79 1cqg h THR 100 N 0.29 1.26 -0.23 0.00 2.02 -1.17 0.85 112.91 115.93 1cqg h THR 100 Ca 0.07 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1cqg h THR 100 Cb 0.56 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1cqg h THR 100 CO 0.03 0.37 0.05 0.40 0.37 0.00 0.00 175.52 176.73 1cqg h ILE 101 N 1.10 1.22 -0.60 3.11 2.04 -0.87 0.43 117.51 123.94 1cqg h ILE 101 Ca 0.23 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1cqg h ILE 101 Cb 0.34 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1cqg h ILE 101 CO -0.00 0.23 0.39 -1.13 0.00 0.00 0.00 178.15 177.64 1cqg h ASN 102 N 0.20 0.69 -0.45 1.72 -0.00 0.29 1.15 115.58 119.17 1cqg h ASN 102 Ca 0.07 -0.02 -0.14 0.00 -0.00 0.00 0.00 56.30 56.21 1cqg h ASN 102 Cb 0.31 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.44 1cqg h ASN 102 CO 0.00 0.50 -0.27 -0.08 -0.00 0.00 0.00 177.43 177.59 1cqg h GLU 103 N 0.81 0.98 -0.02 6.67 4.22 0.15 -3.19 114.58 124.19 1cqg h GLU 103 Ca 0.22 -0.45 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1cqg h GLU 103 Cb -0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1cqg h GLU 103 CO -0.05 1.12 -0.25 1.28 -2.18 0.00 0.00 179.01 178.94 1cqg n LEU 104 N -4.10 2.24 0.00 1.64 4.77 0.07 -5.07 117.00 116.55 1cqg n LEU 104 Ca -0.01 -0.78 0.04 0.00 -0.03 0.00 0.00 56.01 55.24 1cqg n LEU 104 Cb 0.49 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.80 1cqg n LEU 104 CO 0.47 0.39 0.47 0.55 -1.33 0.00 0.00 177.39 177.94