#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 5.26 -0.06 3.17 1.01 -1.26 -4.46 120.40 124.06 1cqg s VAL 2 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1cqg s VAL 2 Cb 0.00 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1cqg s VAL 2 CO 0.00 -0.29 -0.10 -0.75 0.00 0.00 0.00 175.10 173.96 1cqg s LYS 3 N -3.81 1.49 -0.23 2.72 2.47 -1.14 -5.05 119.74 116.20 1cqg s LYS 3 Ca 0.35 -0.34 -0.14 0.00 -1.56 0.00 0.00 55.97 54.28 1cqg s LYS 3 Cb -0.10 -1.28 -0.04 0.00 -1.46 0.00 0.00 37.83 34.95 1cqg s LYS 3 CO 0.29 -0.01 0.32 -1.14 0.16 0.00 0.00 175.35 174.97 1cqg s GLN 4 N 0.76 4.11 -0.36 4.03 0.74 -1.26 -2.11 119.66 125.57 1cqg s GLN 4 Ca -0.13 0.02 -0.13 0.00 0.05 0.00 0.00 55.36 55.17 1cqg s GLN 4 Cb -0.15 -3.56 -0.00 0.00 1.10 0.00 0.00 33.01 30.39 1cqg s GLN 4 CO 0.02 -0.06 0.24 0.42 -0.55 0.00 0.00 175.29 175.37 1cqg s ILE 5 N 1.40 5.16 -2.25 -2.34 -1.09 -1.04 -4.91 121.20 116.13 1cqg s ILE 5 Ca 0.14 -0.38 0.23 0.00 -2.23 0.00 0.00 60.65 58.41 1cqg s ILE 5 Cb -0.15 -3.72 0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1cqg s ILE 5 CO 0.07 -0.09 1.14 -0.62 -1.23 0.00 0.00 174.94 174.22 1cqg n GLU 6 N 5.10 1.46 -3.68 2.79 1.02 -1.26 -4.43 120.64 121.64 1cqg n GLU 6 Ca -0.12 -1.20 -0.12 0.00 -0.02 0.00 0.00 57.16 55.70 1cqg n GLU 6 Cb 0.49 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1cqg s SER 7 N -2.37 -0.23 0.39 1.62 1.04 -1.26 -4.43 113.70 108.45 1cqg s SER 7 Ca 0.21 -0.11 0.10 0.00 0.48 0.00 0.00 55.95 56.62 1cqg s SER 7 Cb 0.19 0.42 0.78 0.00 0.10 0.00 0.00 66.02 67.51 1cqg s SER 7 CO 0.51 -0.69 1.91 0.50 0.98 0.00 0.00 173.24 176.44 1cqg h LYS 8 N 2.92 0.21 -0.39 4.02 3.64 -1.92 -2.27 116.57 122.79 1cqg h LYS 8 Ca -0.32 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1cqg h LYS 8 Cb 1.21 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1cqg h LYS 8 CO 0.45 0.37 0.09 1.15 -2.27 0.00 0.00 179.45 179.25 1cqg h THR 9 N 0.20 0.83 -0.01 1.00 2.02 -1.99 0.28 112.91 115.23 1cqg h THR 9 Ca 0.04 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1cqg h THR 9 Cb 0.40 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1cqg h THR 9 CO 0.02 0.04 -0.40 0.00 0.37 0.00 0.00 175.52 175.56 1cqg h ALA 10 N 1.28 1.32 -0.49 6.16 0.00 -1.87 -2.83 119.26 122.83 1cqg h ALA 10 Ca 0.18 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 10 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1cqg h ALA 10 CO -0.23 0.51 0.32 0.35 0.00 0.00 0.00 179.25 180.20 1cqg h PHE 11 N 0.02 0.60 -0.66 0.00 3.57 -0.42 0.38 116.94 120.43 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 0.72 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1cqg h PHE 11 CO 0.00 0.37 0.22 1.96 -2.23 0.00 0.00 178.31 178.63 1cqg h GLN 12 N 0.64 1.01 -0.50 1.11 1.08 -1.12 -1.23 115.11 116.11 1cqg h GLN 12 Ca 0.18 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1cqg h GLN 12 Cb -0.05 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1cqg h GLN 12 CO -0.05 0.88 0.03 0.93 -0.95 0.00 0.00 178.83 179.66 1cqg h GLU 13 N 0.95 0.82 -0.37 1.46 4.39 -1.13 -2.24 114.58 118.46 1cqg h GLU 13 Ca 0.21 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1cqg h GLU 13 Cb 0.28 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1cqg h GLU 13 CO -0.01 0.81 -0.15 0.00 -1.16 0.00 0.00 179.01 178.49 1cqg h ALA 14 N 1.26 0.52 -0.98 3.43 0.00 0.21 -0.26 119.26 123.44 1cqg h ALA 14 Ca 0.15 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 14 Cb 0.43 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1cqg h ALA 14 CO 0.02 0.44 0.64 -0.07 0.00 0.00 0.00 179.25 180.27 1cqg h LEU 15 N 0.56 1.14 -0.72 0.00 3.38 -1.01 -0.76 115.31 117.91 1cqg h LEU 15 Ca 0.09 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1cqg h LEU 15 Cb 0.69 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1cqg h LEU 15 CO 0.05 0.84 -0.44 -0.78 0.09 0.00 0.00 178.44 178.19 1cqg h ASP 16 N 1.34 0.48 -0.46 -0.43 1.82 -1.17 -3.06 116.42 114.94 1cqg h ASP 16 Ca 0.36 -0.22 -0.10 0.00 -0.39 0.00 0.00 57.03 56.68 1cqg h ASP 16 Cb -0.13 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.73 1cqg h ASP 16 CO -0.08 0.86 -0.08 0.00 -1.61 0.00 0.00 179.24 178.34 1cqg h ALA 17 N 1.16 0.63 -0.17 -0.78 0.00 0.01 -2.81 119.26 117.29 1cqg h ALA 17 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1cqg h ALA 17 Cb 0.93 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1cqg h ALA 17 CO 0.08 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.87 1cqg h ALA 18 N 0.89 1.75 -0.60 0.00 0.00 -1.12 -3.47 119.26 116.70 1cqg h ALA 18 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cqg h ALA 18 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cqg h ALA 18 CO 0.04 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1cqg n GLY 19 N -1.29 3.10 0.63 0.00 0.00 -1.06 -1.91 105.19 104.66 1cqg n GLY 19 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 7.88 1.91 -4.80 1.61 8.00 -1.26 -3.14 116.55 126.76 1cqg n ASP 20 Ca 0.00 -1.69 -0.34 0.00 0.71 0.00 0.00 54.79 53.46 1cqg n ASP 20 Cb 0.00 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.85 3.96 0.91 -1.24 1.02 -0.80 -4.75 119.74 116.99 1cqg s LYS 21 Ca 0.35 1.34 -0.10 0.00 0.02 0.00 0.00 55.97 57.58 1cqg s LYS 21 Cb 0.19 -2.21 0.14 0.00 -0.52 0.00 0.00 37.83 35.44 1cqg s LYS 21 CO 0.30 -0.29 1.14 -0.11 -0.92 0.00 0.00 175.35 175.47 1cqg n LEU 22 N -0.71 3.38 -3.45 3.17 0.00 -1.26 -4.57 117.00 113.56 1cqg n LEU 22 Ca 0.08 0.44 -0.16 0.00 0.00 0.00 0.00 56.01 56.37 1cqg n LEU 22 Cb 0.52 -1.48 -0.11 0.00 0.00 0.00 0.00 43.42 42.35 1cqg n LEU 22 CO 0.40 -2.14 -0.16 -0.69 0.00 0.00 0.00 177.39 174.80 1cqg s VAL 23 N -2.58 -0.40 -0.05 1.96 1.01 -0.65 -2.41 120.40 117.28 1cqg s VAL 23 Ca 0.67 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 1cqg s VAL 23 Cb -0.24 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1cqg s VAL 23 CO 0.57 -0.19 0.22 -0.69 0.00 0.00 0.00 175.10 175.02 1cqg s VAL 24 N 2.39 5.37 -0.14 2.92 1.01 -0.73 -0.24 120.40 130.98 1cqg s VAL 24 Ca 0.09 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1cqg s VAL 24 Cb -0.16 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1cqg s VAL 24 CO -0.13 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 174.63 1cqg s VAL 25 N -1.16 1.52 -0.28 2.92 1.01 0.88 -0.45 120.40 124.84 1cqg s VAL 25 Ca 0.22 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1cqg s VAL 25 Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1cqg s VAL 25 CO 0.11 0.45 0.25 -0.62 0.00 0.00 0.00 175.10 175.29 1cqg s ASP 26 N 1.41 6.09 -0.22 3.32 2.15 -0.30 -1.15 116.67 127.97 1cqg s ASP 26 Ca 0.03 0.06 0.10 0.00 0.43 0.00 0.00 52.55 53.17 1cqg s ASP 26 Cb -0.13 -2.15 0.65 0.00 -0.30 0.00 0.00 42.92 40.99 1cqg s ASP 26 CO -0.09 -0.10 1.56 0.49 -0.17 0.00 0.00 175.17 176.86 1cqg n PHE 27 N 5.15 1.84 -1.70 -5.34 3.72 -0.01 0.68 117.46 121.80 1cqg n PHE 27 Ca -0.12 -0.76 -0.40 0.00 -0.05 0.00 0.00 57.45 56.12 1cqg n PHE 27 Cb 0.51 -0.50 0.03 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.28 2.24 -4.70 4.37 7.64 -1.24 -4.27 113.62 117.95 1cqg n SER 28 Ca 0.27 1.01 -0.41 0.00 1.01 0.00 0.00 58.87 60.75 1cqg n SER 28 Cb 1.10 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.28 3.35 0.32 -0.43 0.00 -1.26 -4.18 121.76 118.26 1cqg s ALA 29 Ca 0.67 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.98 1cqg s ALA 29 Cb -0.46 -3.23 0.53 0.00 0.00 0.00 0.00 23.12 19.95 1cqg s ALA 29 CO 0.53 -0.38 1.73 0.00 0.00 0.00 0.00 175.76 177.65 1cqg h THR 30 N 4.95 1.30 0.00 0.00 1.03 -1.91 -2.43 112.91 115.85 1cqg h THR 30 Ca -0.36 -1.47 -0.01 0.00 -0.01 0.00 0.00 66.41 64.56 1cqg h THR 30 Cb 1.18 1.69 -0.00 0.00 -1.07 0.00 0.00 68.15 69.94 1cqg h THR 30 CO 0.79 0.43 -0.05 4.11 -0.01 0.00 0.00 175.52 180.79 1cqg h TRP 31 N 0.14 0.00 -3.22 0.00 5.08 -2.02 -3.43 115.95 112.50 1cqg h TRP 31 Ca 0.01 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.41 1cqg h TRP 31 Cb 0.77 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.87 1cqg h TRP 31 CO 0.01 0.05 0.57 0.00 -1.28 0.00 0.00 178.44 177.80 1cqg h GLY 33 N 8.67 -0.48 2.00 0.00 0.00 -1.85 -1.07 103.07 110.34 1cqg h GLY 33 Ca -0.26 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1cqg h GLY 33 CO 0.89 -0.17 -0.03 -0.56 0.00 0.00 0.00 176.54 176.67 1cqg h PRO 34 N -0.63 0.00 0.06 4.80 0.13 -1.94 0.15 132.00 134.56 1cqg h PRO 34 Ca -0.05 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1cqg h PRO 34 Cb 0.45 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1cqg h PRO 34 CO 0.08 0.03 -0.03 0.00 -0.23 0.00 0.00 178.00 177.85 1cqg h ALA 35 N 1.97 -0.07 -0.75 -0.56 0.00 -1.81 -3.11 119.26 114.92 1cqg h ALA 35 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1cqg h ALA 35 Cb 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1cqg h ALA 35 CO 0.00 -0.11 0.41 -0.22 0.00 0.00 0.00 179.25 179.34 1cqg h LYS 36 N -0.94 1.04 -0.01 0.00 3.64 -1.11 -1.50 116.57 117.69 1cqg h LYS 36 Ca -0.01 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1cqg h LYS 36 Cb 0.56 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1cqg h LYS 36 CO 0.01 0.76 0.01 1.98 -2.27 0.00 0.00 179.45 179.94 1cqg h MET 37 N 1.05 0.00 -0.00 1.90 4.05 -0.80 0.92 114.93 122.05 1cqg h MET 37 Ca 0.27 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 1cqg h MET 37 Cb 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1cqg h MET 37 CO -0.04 0.00 -0.02 -0.89 0.23 0.00 0.00 176.91 176.19 1cqg n ILE 38 N -4.27 0.00 0.25 1.77 5.41 -0.57 -4.03 119.36 117.93 1cqg n ILE 38 Ca -0.03 -0.01 0.11 0.00 1.00 0.00 0.00 62.75 63.82 1cqg n ILE 38 Cb 0.10 -0.42 0.68 0.00 -0.71 0.00 0.00 39.64 39.29 1cqg n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1cqg h LYS 39 N 0.12 0.00 -0.98 0.38 2.10 -0.79 -3.19 116.57 114.21 1cqg h LYS 39 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1cqg h LYS 39 Cb 0.25 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.51 1cqg h LYS 39 CO 0.00 0.13 0.63 -1.35 -2.00 0.00 0.00 179.45 176.87 1cqg h PRO 40 N 0.00 1.12 -0.20 0.07 0.11 -1.79 0.52 132.00 131.85 1cqg h PRO 40 Ca -0.00 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1cqg h PRO 40 Cb 0.32 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1cqg h PRO 40 CO 0.02 0.74 -0.07 0.74 -0.21 0.00 0.00 178.00 179.22 1cqg h PHE 41 N 1.16 0.45 0.39 0.65 -1.00 -1.88 1.01 116.94 117.72 1cqg h PHE 41 Ca 0.42 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 61.08 1cqg h PHE 41 Cb 0.15 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1cqg h PHE 41 CO -0.01 0.67 -0.19 0.35 -1.61 0.00 0.00 178.31 177.52 1cqg h PHE 42 N 0.10 -0.49 -0.49 -0.55 3.57 -1.50 -0.88 116.94 116.69 1cqg h PHE 42 Ca 0.05 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 1cqg h PHE 42 Cb 0.54 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1cqg h PHE 42 CO 0.06 -0.30 -0.20 1.25 -2.23 0.00 0.00 178.31 176.89 1cqg h HIS 43 N -0.54 1.14 -0.78 0.41 2.76 0.04 -3.12 115.15 115.06 1cqg h HIS 43 Ca -0.05 -0.27 -0.03 0.00 -2.20 0.00 0.00 60.37 57.81 1cqg h HIS 43 Cb 0.41 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 1cqg h HIS 43 CO -0.05 1.10 0.36 0.77 -1.30 0.00 0.00 177.93 178.81 1cqg h SER 44 N 0.85 1.03 0.17 3.26 0.02 0.12 -2.20 113.55 116.80 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 0.78 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1cqg h SER 44 CO 0.06 0.88 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.55 1cqg h LEU 45 N 1.11 0.00 -1.51 5.07 3.38 -1.09 -2.20 115.31 120.08 1cqg h LEU 45 Ca 0.27 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.40 1cqg h LEU 45 Cb 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1cqg h LEU 45 CO -0.03 0.02 0.55 0.28 0.09 0.00 0.00 178.44 179.34 1cqg h SER 46 N 0.00 0.44 0.84 -0.43 0.02 -1.44 0.66 113.55 113.64 1cqg h SER 46 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cqg h SER 46 Cb 0.11 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1cqg h SER 46 CO 0.00 0.21 -0.65 -0.62 -1.14 0.00 0.00 176.83 174.63 1cqg n GLU 47 N -4.50 0.29 0.11 3.45 4.71 -0.83 -2.79 120.64 121.09 1cqg n GLU 47 Ca 0.16 0.08 -0.20 0.00 -0.01 0.00 0.00 57.16 57.19 1cqg n GLU 47 Cb 0.58 -1.68 -0.13 0.00 -1.01 0.00 0.00 31.44 29.19 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 0.45 -2.17 3.49 3.64 0.17 -3.35 116.57 118.81 1cqg h LYS 48 Ca 0.00 -0.70 -0.59 0.00 -1.27 0.00 0.00 60.65 58.09 1cqg h LYS 48 Cb 0.74 0.25 -0.42 0.00 -0.41 0.00 0.00 32.23 32.40 1cqg h LYS 48 CO 0.00 1.32 -0.68 0.66 -2.27 0.00 0.00 179.45 178.48 1cqg n TYR 49 N -3.67 3.09 0.19 1.91 4.01 0.41 -4.87 117.16 118.23 1cqg n TYR 49 Ca -0.12 -4.06 0.02 0.00 -0.16 0.00 0.00 57.90 53.59 1cqg n TYR 49 Cb 1.03 -0.52 0.11 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.80 0.00 -0.73 7.72 3.41 -1.12 -0.34 113.62 123.36 1cqg n SER 50 Ca 0.29 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 1cqg n SER 50 Cb 0.43 -0.43 0.21 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.43 2.14 -4.19 4.04 5.15 -1.26 -4.81 115.26 114.89 1cqg n ASN 51 Ca 0.02 -1.95 -0.23 0.00 -0.60 0.00 0.00 54.58 51.81 1cqg n ASN 51 Cb 0.05 -0.25 -0.14 0.00 -0.53 0.00 0.00 39.78 38.92 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 -1.51 1.39 -0.25 3.44 1.01 0.54 -4.54 120.40 120.47 1cqg s VAL 52 Ca 0.28 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1cqg s VAL 52 Cb 0.15 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1cqg s VAL 52 CO 0.20 0.12 0.18 -0.63 0.00 0.00 0.00 175.10 174.97 1cqg s ILE 53 N -0.79 5.34 -0.21 2.22 -1.09 -1.01 -4.88 121.20 120.77 1cqg s ILE 53 Ca 0.05 0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.59 1cqg s ILE 53 Cb -0.08 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1cqg s ILE 53 CO 0.01 0.32 0.07 -0.36 -1.23 0.00 0.00 174.94 173.75 1cqg s PHE 54 N 1.26 3.16 -0.03 3.97 0.40 -1.26 -1.78 117.98 123.71 1cqg s PHE 54 Ca 0.08 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1cqg s PHE 54 Cb -0.14 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 1cqg s PHE 54 CO 0.06 -0.09 -0.05 -0.51 0.70 0.00 0.00 175.22 175.33 1cqg s LEU 55 N 0.97 3.25 -0.14 -0.37 1.02 0.40 -2.86 118.68 120.96 1cqg s LEU 55 Ca 0.04 -0.06 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 1cqg s LEU 55 Cb -0.14 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 1cqg s LEU 55 CO 0.03 0.31 -0.05 -0.70 0.02 0.00 0.00 176.35 175.96 1cqg s GLU 56 N -1.22 3.48 -0.02 1.70 2.12 -0.89 -1.15 118.70 122.72 1cqg s GLU 56 Ca 0.16 -0.54 0.04 0.00 0.36 0.00 0.00 54.97 54.98 1cqg s GLU 56 Cb -0.11 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 1cqg s GLU 56 CO 0.06 0.31 -0.15 0.08 -0.54 0.00 0.00 175.26 175.02 1cqg s VAL 57 N 0.15 1.20 -0.29 3.70 1.01 0.21 -2.51 120.40 123.87 1cqg s VAL 57 Ca -0.02 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1cqg s VAL 57 Cb -0.14 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1cqg s VAL 57 CO 0.03 0.35 0.20 -0.62 0.00 0.00 0.00 175.10 175.05 1cqg s ASP 58 N -0.13 6.01 0.44 3.32 -1.08 -1.26 -3.61 116.67 120.34 1cqg s ASP 58 Ca 0.01 -0.10 0.30 0.00 -0.52 0.00 0.00 52.55 52.24 1cqg s ASP 58 Cb -0.08 -2.12 1.34 0.00 -1.46 0.00 0.00 42.92 40.60 1cqg s ASP 58 CO 0.00 -0.09 1.90 -0.37 0.52 0.00 0.00 175.17 177.14 1cqg h VAL 59 N 5.40 0.00 0.09 1.11 -1.51 -1.74 1.20 116.25 120.80 1cqg h VAL 59 Ca -0.34 -0.30 -0.33 0.00 -1.23 0.00 0.00 66.70 64.50 1cqg h VAL 59 Cb 1.18 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 1cqg h VAL 59 CO 0.57 0.00 -1.79 0.47 -1.23 0.00 0.00 177.57 175.58 1cqg n ASP 60 N -2.70 2.06 -0.00 4.19 9.92 -1.26 -3.05 116.55 125.71 1cqg n ASP 60 Ca 0.01 0.27 0.07 0.00 -0.53 0.00 0.00 54.79 54.61 1cqg n ASP 60 Cb 0.22 -0.90 -0.14 0.00 -0.64 0.00 0.00 41.12 39.67 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 -3.75 0.20 -1.90 -2.24 8.00 -1.15 -4.18 116.55 111.54 1cqg n ASP 61 Ca -0.32 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.04 1cqg n ASP 61 Cb 0.95 1.44 0.06 0.00 -0.02 0.00 0.00 41.12 43.55 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 -2.34 5.09 0.33 2.24 0.00 0.41 -4.73 120.51 121.51 1cqg n ALA 62 Ca -0.09 -3.65 0.22 0.00 0.00 0.00 0.00 53.44 49.93 1cqg n ALA 62 Cb 0.69 -0.61 1.18 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 1.96 0.00 -0.61 0.00 -0.00 -1.44 -1.25 115.11 113.77 1cqg h GLN 63 Ca 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.97 1cqg h GLN 63 Cb 1.39 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.84 1cqg h GLN 63 CO 0.82 0.00 0.17 0.38 -0.00 0.00 0.00 178.83 180.20 1cqg h ASP 64 N 0.00 0.87 -0.06 0.06 3.04 -1.87 0.37 116.42 118.84 1cqg h ASP 64 Ca -0.00 -0.16 -0.16 0.00 -3.24 0.00 0.00 57.03 53.48 1cqg h ASP 64 Cb 0.02 -0.23 0.01 0.00 -1.04 0.00 0.00 39.33 38.09 1cqg h ASP 64 CO 0.00 0.84 -0.57 0.58 -2.04 0.00 0.00 179.24 178.05 1cqg h VAL 65 N 0.90 1.38 -0.41 4.15 2.07 -1.59 -3.03 116.25 119.73 1cqg h VAL 65 Ca 0.20 -1.94 -0.15 0.00 0.82 0.00 0.00 66.70 65.63 1cqg h VAL 65 Cb 0.29 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1cqg h VAL 65 CO -0.00 0.58 -0.33 0.00 0.02 0.00 0.00 177.57 177.83 1cqg h ALA 66 N 0.42 0.63 -0.48 1.67 0.00 -1.37 -2.92 119.26 117.21 1cqg h ALA 66 Ca -0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1cqg h ALA 66 Cb 1.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1cqg h ALA 66 CO 0.12 0.68 0.16 0.66 0.00 0.00 0.00 179.25 180.86 1cqg h SER 67 N 0.78 0.64 -0.63 0.00 4.64 -0.34 -1.15 113.55 117.48 1cqg h SER 67 Ca 0.08 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1cqg h SER 67 Cb 0.92 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 1cqg h SER 67 CO 0.09 0.60 0.21 -0.08 -0.87 0.00 0.00 176.83 176.78 1cqg h GLU 68 N 0.69 1.01 -0.01 4.77 4.81 -1.39 -2.35 114.58 122.10 1cqg h GLU 68 Ca 0.16 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1cqg h GLU 68 Cb 0.19 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1cqg h GLU 68 CO -0.01 0.86 -0.01 0.00 -0.73 0.00 0.00 179.01 179.12 1cqg n ALA 69 N -2.45 2.61 -3.65 2.92 0.00 -0.76 -4.94 120.51 114.24 1cqg n ALA 69 Ca 0.05 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 1cqg n ALA 69 Cb 0.21 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.12 -5.07 -2.01 0.00 4.71 -0.51 -4.87 120.64 112.77 1cqg n GLU 70 Ca 0.20 0.66 -0.42 0.00 -0.01 0.00 0.00 57.16 57.59 1cqg n GLU 70 Cb 0.30 -5.27 -0.03 0.00 -1.01 0.00 0.00 31.44 25.43 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 2.76 -0.66 2.62 1.01 -1.12 -4.89 120.40 116.50 1cqg s VAL 71 Ca 0.01 0.58 0.17 0.00 0.00 0.00 0.00 61.98 62.75 1cqg s VAL 71 Cb -0.00 -3.37 -0.20 0.00 0.00 0.00 0.00 36.38 32.80 1cqg s VAL 71 CO 0.80 0.07 0.66 0.29 0.00 0.00 0.00 175.10 176.92 1cqg n LYS 72 N 3.24 1.18 -3.50 2.72 4.76 -1.26 -5.02 118.16 120.28 1cqg n LYS 72 Ca 0.10 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 1cqg n LYS 72 Cb 0.40 -1.33 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.74 -1.78 0.16 7.82 0.00 -1.26 -5.18 121.76 118.79 1cqg s ALA 73 Ca 0.04 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.16 1cqg s ALA 73 Cb 0.13 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1cqg s ALA 73 CO 0.71 -0.54 -0.16 0.95 0.00 0.00 0.00 175.76 176.71 1cqg s THR 74 N -2.34 1.64 0.35 0.00 -4.23 -1.26 -4.15 115.64 105.65 1cqg s THR 74 Ca -0.02 -1.91 -0.26 0.00 -1.18 0.00 0.00 61.69 58.33 1cqg s THR 74 Cb -0.01 -1.78 -0.09 0.00 1.34 0.00 0.00 72.50 71.96 1cqg s THR 74 CO -0.03 -0.40 1.04 -2.16 -0.54 0.00 0.00 174.62 172.53 1cqg s PRO 75 N -2.92 4.39 -0.04 3.99 0.04 -1.26 -4.88 135.00 134.31 1cqg s PRO 75 Ca 0.15 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1cqg s PRO 75 Cb -0.04 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1cqg s PRO 75 CO 0.05 0.05 -0.13 0.99 0.04 0.00 0.00 177.00 178.00 1cqg s THR 76 N -1.50 1.13 -0.12 1.26 2.01 -1.26 -2.75 115.64 114.41 1cqg s THR 76 Ca 0.52 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 1cqg s THR 76 Cb -0.24 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1cqg s THR 76 CO 0.31 0.34 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.10 1cqg s PHE 77 N 0.28 2.83 0.00 4.92 0.08 -0.81 -0.83 117.98 124.46 1cqg s PHE 77 Ca -0.07 -0.52 0.07 0.00 0.12 0.00 0.00 56.93 56.53 1cqg s PHE 77 Cb -0.12 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1cqg s PHE 77 CO 0.02 -0.12 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.14 1cqg s GLN 78 N 0.19 1.75 -0.14 0.44 -0.21 -0.30 -2.25 119.66 119.13 1cqg s GLN 78 Ca -0.07 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 54.39 1cqg s GLN 78 Cb -0.15 -1.76 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 1cqg s GLN 78 CO 0.05 0.47 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.61 1cqg s PHE 79 N -0.63 3.09 0.07 0.91 0.40 -0.57 -0.08 117.98 121.17 1cqg s PHE 79 Ca 0.09 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.38 1cqg s PHE 79 Cb -0.09 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 1cqg s PHE 79 CO 0.00 0.12 -0.20 -0.06 0.70 0.00 0.00 175.22 175.78 1cqg s PHE 80 N 0.03 1.75 -0.14 0.36 0.40 0.67 -1.64 117.98 119.41 1cqg s PHE 80 Ca 0.02 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.89 1cqg s PHE 80 Cb -0.13 -1.01 0.06 0.00 0.51 0.00 0.00 43.02 42.46 1cqg s PHE 80 CO 0.02 0.14 0.31 0.21 0.70 0.00 0.00 175.22 176.60 1cqg s LYS 81 N -1.52 0.23 -1.81 0.44 2.20 0.29 -1.64 119.74 117.93 1cqg s LYS 81 Ca 0.06 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1cqg s LYS 81 Cb -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1cqg s LYS 81 CO 0.03 -0.23 0.00 1.63 -0.36 0.00 0.00 175.35 176.42 1cqg n LYS 82 N 4.88 -1.68 -1.17 4.03 5.02 -1.19 0.15 118.16 128.20 1cqg n LYS 82 Ca -0.15 1.02 -0.04 0.00 -2.02 0.00 0.00 58.31 57.13 1cqg n LYS 82 Cb 0.51 -5.66 -0.02 0.00 -0.02 0.00 0.00 35.03 29.85 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 -0.95 0.66 3.19 0.72 0.00 -1.26 -5.03 105.19 102.52 1cqg n GLY 83 Ca -0.24 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.44 1.88 -0.09 1.61 -1.52 0.12 -5.11 119.66 114.12 1cqg s GLN 84 Ca 0.00 -0.71 -0.30 0.00 -1.95 0.00 0.00 55.36 52.40 1cqg s GLN 84 Cb 0.00 -1.69 -0.02 0.00 -0.22 0.00 0.00 33.01 31.08 1cqg s GLN 84 CO 0.00 0.34 1.06 0.21 -0.25 0.00 0.00 175.29 176.66 1cqg s LYS 85 N -0.19 4.40 -0.04 2.91 2.20 -1.26 0.10 119.74 127.87 1cqg s LYS 85 Ca 0.01 1.48 0.06 0.00 -0.36 0.00 0.00 55.97 57.15 1cqg s LYS 85 Cb -0.11 -3.54 0.09 0.00 -1.51 0.00 0.00 37.83 32.76 1cqg s LYS 85 CO 0.01 -0.35 0.97 1.33 -0.36 0.00 0.00 175.35 176.96 1cqg n VAL 86 N 4.56 1.04 0.00 4.02 0.24 -0.65 -4.93 118.33 122.60 1cqg n VAL 86 Ca 0.09 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 1cqg n VAL 86 Cb 0.48 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.67 1.03 3.57 7.63 0.00 -1.24 -4.96 105.19 110.55 1cqg n GLY 87 Ca 0.05 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.06 1.61 2.56 -1.26 -1.51 118.70 118.77 1cqg s GLU 88 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 54.97 54.94 1cqg s GLU 88 Cb 0.00 0.34 0.11 0.00 2.00 0.00 0.00 34.13 36.58 1cqg s GLU 88 CO 0.00 -0.21 0.94 -0.59 -0.56 0.00 0.00 175.26 174.84 1cqg s PHE 89 N -0.92 -0.33 0.20 5.30 -0.12 -0.95 -5.03 117.98 116.13 1cqg s PHE 89 Ca -0.04 0.31 0.08 0.00 -0.05 0.00 0.00 56.93 57.23 1cqg s PHE 89 Cb -0.01 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1cqg s PHE 89 CO 0.03 -0.47 -0.15 -1.54 -0.05 0.00 0.00 175.22 173.05 1cqg s SER 90 N -2.12 2.58 0.00 1.98 1.04 -1.26 -1.92 113.70 114.00 1cqg s SER 90 Ca 0.04 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1cqg s SER 90 Cb -0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1cqg s SER 90 CO -0.06 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1cqg n GLY 91 N -0.36 3.62 2.59 7.32 0.00 -1.11 -4.88 105.19 112.36 1cqg n GLY 91 Ca -0.08 -1.56 -0.38 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 -0.53 6.02 -3.89 4.61 0.00 -1.26 -4.78 120.51 120.68 1cqg n ALA 92 Ca 0.00 -3.44 -0.33 0.00 0.00 0.00 0.00 53.44 49.67 1cqg n ALA 92 Cb 0.00 -3.42 -0.13 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 3.00 4.77 0.33 0.00 3.04 -1.26 -4.95 114.94 119.87 1cqg s ASN 93 Ca 0.56 -2.61 0.09 0.00 0.04 0.00 0.00 52.86 50.94 1cqg s ASN 93 Cb 0.15 -1.71 0.57 0.00 -1.54 0.00 0.00 41.25 38.73 1cqg s ASN 93 CO -0.05 -0.35 1.76 0.07 -3.04 0.00 0.00 177.10 175.50 1cqg h LYS 94 N 7.13 0.15 0.00 0.43 -0.00 -1.95 -2.66 116.57 119.66 1cqg h LYS 94 Ca -0.06 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.65 60.47 1cqg h LYS 94 Cb 0.96 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.18 1cqg h LYS 94 CO 0.65 0.51 -0.26 0.93 -0.00 0.00 0.00 179.45 181.28 1cqg h GLU 95 N 0.13 0.00 -0.42 0.07 4.39 -2.00 -2.10 114.58 114.65 1cqg h GLU 95 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1cqg h GLU 95 Cb 0.73 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1cqg h GLU 95 CO 0.05 0.26 0.26 -0.22 -1.16 0.00 0.00 179.01 178.20 1cqg h LYS 96 N 0.00 0.57 -0.89 2.33 3.64 -1.90 -0.64 116.57 119.68 1cqg h LYS 96 Ca -0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 96 Cb 0.46 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1cqg h LYS 96 CO 0.03 0.40 0.59 -0.07 -2.27 0.00 0.00 179.45 178.13 1cqg h LEU 97 N 0.58 1.01 -0.55 5.20 3.38 -1.47 -2.36 115.31 121.11 1cqg h LEU 97 Ca 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1cqg h LEU 97 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1cqg h LEU 97 CO -0.03 0.72 0.27 -0.08 0.09 0.00 0.00 178.44 179.41 1cqg h GLU 98 N 1.19 0.78 -0.27 1.13 4.57 -1.17 -2.00 114.58 118.80 1cqg h GLU 98 Ca 0.34 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.32 1cqg h GLU 98 Cb -0.10 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1cqg h GLU 98 CO -0.08 0.63 -0.17 0.00 -1.18 0.00 0.00 179.01 178.22 1cqg h ALA 99 N 1.11 0.39 -0.70 2.92 0.00 -1.31 -2.25 119.26 119.41 1cqg h ALA 99 Ca 0.19 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 99 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1cqg h ALA 99 CO -0.03 0.29 0.15 1.15 0.00 0.00 0.00 179.25 180.82 1cqg h THR 100 N 0.32 1.26 -0.04 0.00 2.02 -1.39 0.17 112.91 115.25 1cqg h THR 100 Ca 0.06 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 1cqg h THR 100 Cb 0.70 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1cqg h THR 100 CO 0.05 0.38 0.02 0.40 0.37 0.00 0.00 175.52 176.74 1cqg h ILE 101 N 1.07 1.04 -0.51 3.11 2.04 -1.34 0.11 117.51 123.03 1cqg h ILE 101 Ca 0.22 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1cqg h ILE 101 Cb 0.40 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1cqg h ILE 101 CO 0.01 0.03 0.32 -1.13 0.00 0.00 0.00 178.15 177.38 1cqg h ASN 102 N 0.02 0.60 -0.54 1.72 -0.73 -1.14 0.96 115.58 116.47 1cqg h ASN 102 Ca 0.01 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.05 1cqg h ASN 102 Cb 0.03 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1cqg h ASN 102 CO -0.00 0.45 -0.08 -0.08 -0.37 0.00 0.00 177.43 177.35 1cqg h GLU 103 N 0.70 1.02 -0.02 6.67 4.22 0.40 -3.12 114.58 124.45 1cqg h GLU 103 Ca 0.19 -0.36 0.00 0.00 0.08 0.00 0.00 59.36 59.27 1cqg h GLU 103 Cb -0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1cqg h GLU 103 CO -0.04 1.04 -0.28 1.28 -2.18 0.00 0.00 179.01 178.84 1cqg n LEU 104 N -4.15 2.38 0.00 1.64 4.77 0.28 -5.08 117.00 116.84 1cqg n LEU 104 Ca 0.02 -0.84 0.04 0.00 -0.03 0.00 0.00 56.01 55.20 1cqg n LEU 104 Cb 0.38 -0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.69 1cqg n LEU 104 CO 0.45 0.42 0.44 0.55 -1.33 0.00 0.00 177.39 177.92