#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 5.35 -0.06 3.17 1.01 -1.26 -4.23 120.40 124.38 1cqg s VAL 2 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1cqg s VAL 2 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1cqg s VAL 2 CO 0.00 0.20 -0.10 -0.75 0.00 0.00 0.00 175.10 174.44 1cqg s LYS 3 N -2.30 1.49 -0.23 2.72 2.47 -1.13 -5.05 119.74 117.70 1cqg s LYS 3 Ca 0.33 -0.34 -0.12 0.00 -1.56 0.00 0.00 55.97 54.29 1cqg s LYS 3 Cb -0.13 -1.29 -0.05 0.00 -1.46 0.00 0.00 37.83 34.91 1cqg s LYS 3 CO 0.24 -0.01 0.22 -1.14 0.16 0.00 0.00 175.35 174.81 1cqg s GLN 4 N 0.77 4.09 -0.34 4.03 0.74 -1.26 -2.25 119.66 125.44 1cqg s GLN 4 Ca -0.13 -0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.01 1cqg s GLN 4 Cb -0.15 -3.54 0.01 0.00 1.10 0.00 0.00 33.01 30.42 1cqg s GLN 4 CO 0.02 0.03 0.20 0.42 -0.55 0.00 0.00 175.29 175.41 1cqg s ILE 5 N 1.13 4.74 -2.91 -2.34 -1.09 -1.04 -4.93 121.20 114.77 1cqg s ILE 5 Ca 0.10 -0.56 0.25 0.00 -2.23 0.00 0.00 60.65 58.21 1cqg s ILE 5 Cb -0.14 -3.52 0.25 0.00 -1.58 0.00 0.00 42.46 37.48 1cqg s ILE 5 CO 0.05 -0.08 1.34 -0.62 -1.23 0.00 0.00 174.94 174.41 1cqg n GLU 6 N 5.02 2.21 -3.71 2.79 -0.58 -1.26 -4.45 120.64 120.67 1cqg n GLU 6 Ca -0.13 -1.76 -0.12 0.00 -0.42 0.00 0.00 57.16 54.73 1cqg n GLU 6 Cb 0.48 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 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 -2.00 -0.20 0.38 1.62 1.04 -1.26 -4.38 113.70 108.91 1cqg s SER 7 Ca 0.30 -0.13 0.10 0.00 0.48 0.00 0.00 55.95 56.69 1cqg s SER 7 Cb 0.20 0.40 0.76 0.00 0.10 0.00 0.00 66.02 67.48 1cqg s SER 7 CO 0.31 -0.66 1.90 0.50 0.98 0.00 0.00 173.24 176.26 1cqg h LYS 8 N 3.03 0.21 -0.14 4.02 3.64 -1.92 -1.90 116.57 123.52 1cqg h LYS 8 Ca -0.32 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1cqg h LYS 8 Cb 1.21 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1cqg h LYS 8 CO 0.45 0.39 -0.02 1.15 -2.27 0.00 0.00 179.45 179.15 1cqg h THR 9 N 0.20 0.88 0.00 1.00 2.02 -1.98 -0.46 112.91 114.56 1cqg h THR 9 Ca 0.04 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1cqg h THR 9 Cb 0.42 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1cqg h THR 9 CO 0.03 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.49 1cqg h ALA 10 N 1.13 1.25 -0.61 6.16 0.00 -1.91 -2.82 119.26 122.46 1cqg h ALA 10 Ca 0.07 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1cqg h ALA 10 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1cqg h ALA 10 CO -0.13 0.54 0.40 0.35 0.00 0.00 0.00 179.25 180.40 1cqg h PHE 11 N 0.00 0.75 -0.49 0.00 3.57 -0.32 0.41 116.94 120.85 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 0.78 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1cqg h PHE 11 CO 0.00 0.47 0.11 1.96 -2.23 0.00 0.00 178.31 178.62 1cqg h GLN 12 N 0.81 0.79 -0.52 1.11 1.08 -1.00 -1.51 115.11 115.87 1cqg h GLN 12 Ca 0.23 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1cqg h GLN 12 Cb -0.08 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 1cqg h GLN 12 CO -0.06 0.78 0.03 0.93 -0.95 0.00 0.00 178.83 179.56 1cqg h GLU 13 N 0.67 0.85 -0.47 1.46 3.07 -1.15 -2.35 114.58 116.67 1cqg h GLU 13 Ca 0.15 -0.22 -0.11 0.00 -0.50 0.00 0.00 59.36 58.68 1cqg h GLU 13 Cb 0.35 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1cqg h GLU 13 CO 0.00 0.83 -0.12 0.00 -1.40 0.00 0.00 179.01 178.32 1cqg h ALA 14 N 1.23 0.64 -0.98 3.43 0.00 0.11 -0.70 119.26 122.99 1cqg h ALA 14 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 14 Cb 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1cqg h ALA 14 CO 0.02 0.55 0.63 -0.07 0.00 0.00 0.00 179.25 180.38 1cqg h LEU 15 N 0.75 1.14 -0.64 0.00 3.38 -1.03 -1.28 115.31 117.63 1cqg h LEU 15 Ca 0.12 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1cqg h LEU 15 Cb 0.67 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1cqg h LEU 15 CO 0.05 0.84 -0.40 -0.78 0.09 0.00 0.00 178.44 178.23 1cqg h ASP 16 N 1.34 0.64 -0.05 -0.43 1.82 -1.09 -3.12 116.42 115.53 1cqg h ASP 16 Ca 0.36 -0.29 -0.13 0.00 -0.39 0.00 0.00 57.03 56.58 1cqg h ASP 16 Cb -0.13 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.69 1cqg h ASP 16 CO -0.07 0.97 -0.40 0.00 -1.61 0.00 0.00 179.24 178.13 1cqg h ALA 17 N 1.06 0.85 -0.08 -0.78 0.00 -0.44 -2.81 119.26 117.06 1cqg h ALA 17 Ca 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1cqg h ALA 17 Cb 0.92 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1cqg h ALA 17 CO 0.08 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.91 1cqg h ALA 18 N 1.10 1.74 -0.64 0.00 0.00 -1.19 -3.47 119.26 116.79 1cqg h ALA 18 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cqg h ALA 18 Cb 0.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1cqg h ALA 18 CO 0.08 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1cqg n GLY 19 N -1.18 2.92 0.72 0.00 0.00 -1.06 -1.99 105.19 104.59 1cqg n GLY 19 Ca -0.02 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 7.08 2.14 -4.79 1.61 8.00 -1.26 -3.38 116.55 125.95 1cqg n ASP 20 Ca 0.00 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.34 1cqg n ASP 20 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.69 3.88 0.92 -1.24 1.02 -0.84 -4.78 119.74 117.00 1cqg s LYS 21 Ca 0.33 1.42 -0.10 0.00 0.02 0.00 0.00 55.97 57.64 1cqg s LYS 21 Cb 0.18 -2.21 0.14 0.00 -0.52 0.00 0.00 37.83 35.42 1cqg s LYS 21 CO 0.27 -0.38 1.14 -0.11 -0.92 0.00 0.00 175.35 175.35 1cqg n LEU 22 N -0.73 3.30 -3.46 3.17 0.00 -1.26 -4.64 117.00 113.37 1cqg n LEU 22 Ca 0.08 0.43 -0.15 0.00 0.00 0.00 0.00 56.01 56.37 1cqg n LEU 22 Cb 0.52 -1.47 -0.11 0.00 0.00 0.00 0.00 43.42 42.35 1cqg n LEU 22 CO 0.41 -2.17 -0.15 -0.69 0.00 0.00 0.00 177.39 174.79 1cqg s VAL 23 N -2.61 -0.43 -0.04 1.96 1.01 -0.86 -2.24 120.40 117.19 1cqg s VAL 23 Ca 0.67 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 1cqg s VAL 23 Cb -0.23 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1cqg s VAL 23 CO 0.58 -0.15 0.14 -0.69 0.00 0.00 0.00 175.10 174.98 1cqg s VAL 24 N 2.41 5.24 -0.12 2.92 1.01 -0.85 -0.43 120.40 130.57 1cqg s VAL 24 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1cqg s VAL 24 Cb -0.15 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1cqg s VAL 24 CO -0.13 0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 174.58 1cqg s VAL 25 N -1.20 1.34 -0.28 2.92 1.01 0.48 -0.34 120.40 124.33 1cqg s VAL 25 Ca 0.23 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1cqg s VAL 25 Cb -0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1cqg s VAL 25 CO 0.13 0.42 0.22 -0.62 0.00 0.00 0.00 175.10 175.25 1cqg s ASP 26 N 1.42 6.06 -0.22 3.32 2.15 -0.09 -1.38 116.67 127.93 1cqg s ASP 26 Ca 0.02 0.04 0.09 0.00 0.43 0.00 0.00 52.55 53.12 1cqg s ASP 26 Cb -0.13 -2.14 0.62 0.00 -0.30 0.00 0.00 42.92 40.97 1cqg s ASP 26 CO -0.07 -0.07 1.52 0.49 -0.17 0.00 0.00 175.17 176.87 1cqg n PHE 27 N 5.11 1.78 -1.64 -5.34 3.72 -0.17 0.38 117.46 121.30 1cqg n PHE 27 Ca -0.13 -0.76 -0.38 0.00 -0.05 0.00 0.00 57.45 56.13 1cqg n PHE 27 Cb 0.52 -0.50 0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.24 1.30 -4.69 4.37 7.64 -1.24 -4.26 113.62 116.99 1cqg n SER 28 Ca 0.27 0.88 -0.40 0.00 1.01 0.00 0.00 58.87 60.63 1cqg n SER 28 Cb 1.08 -1.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.80 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 3.44 0.36 -0.43 0.00 -1.26 -4.11 121.76 118.33 1cqg s ALA 29 Ca 0.73 0.01 0.12 0.00 0.00 0.00 0.00 51.96 52.82 1cqg s ALA 29 Cb -0.44 -3.04 0.67 0.00 0.00 0.00 0.00 23.12 20.31 1cqg s ALA 29 CO 0.49 -0.37 1.80 0.00 0.00 0.00 0.00 175.76 177.68 1cqg h THR 30 N 4.98 1.28 0.00 0.00 1.03 -1.91 -2.15 112.91 116.15 1cqg h THR 30 Ca -0.35 -1.36 0.00 0.00 -0.01 0.00 0.00 66.41 64.69 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 0.78 0.39 0.00 4.11 -0.01 0.00 0.00 175.52 180.79 1cqg h TRP 31 N 0.02 0.00 -3.26 0.00 5.08 -2.02 -3.43 115.95 112.34 1cqg h TRP 31 Ca -0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.38 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 0.00 0.00 0.49 0.00 -1.28 0.00 0.00 178.44 177.65 1cqg h GLY 33 N 8.84 -0.60 2.00 0.00 0.00 -1.84 -0.97 103.07 110.50 1cqg h GLY 33 Ca -0.25 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1cqg h GLY 33 CO 0.87 -0.22 -0.03 -0.56 0.00 0.00 0.00 176.54 176.60 1cqg h PRO 34 N -0.74 0.00 -0.00 4.80 0.13 -1.94 0.38 132.00 134.62 1cqg h PRO 34 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1cqg h PRO 34 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1cqg h PRO 34 CO 0.10 0.03 -0.02 0.00 -0.23 0.00 0.00 178.00 177.88 1cqg h ALA 35 N 1.97 0.01 -0.23 -0.56 0.00 -1.83 -3.04 119.26 115.57 1cqg h ALA 35 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1cqg h ALA 35 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cqg h ALA 35 CO 0.00 -0.11 0.13 -0.22 0.00 0.00 0.00 179.25 179.05 1cqg h LYS 36 N -0.70 0.31 -0.17 0.00 3.64 -0.80 -0.74 116.57 118.11 1cqg h LYS 36 Ca -0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1cqg h LYS 36 Cb 0.75 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1cqg h LYS 36 CO 0.00 0.22 0.14 1.98 -2.27 0.00 0.00 179.45 179.53 1cqg h MET 37 N 0.32 0.00 -0.01 1.90 4.05 -0.14 -0.17 114.93 120.88 1cqg h MET 37 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1cqg h MET 37 Cb -0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1cqg h MET 37 CO -0.02 0.00 -0.02 -0.89 0.23 0.00 0.00 176.91 176.21 1cqg n ILE 38 N -4.19 0.00 0.20 1.77 5.41 -0.28 -4.18 119.36 118.09 1cqg n ILE 38 Ca 0.01 -0.12 0.06 0.00 1.00 0.00 0.00 62.75 63.70 1cqg n ILE 38 Cb 0.27 0.01 0.54 0.00 -0.71 0.00 0.00 39.64 39.75 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 1.12 0.09 -0.59 0.38 2.10 -1.10 -3.10 116.57 115.48 1cqg h LYS 39 Ca 0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1cqg h LYS 39 Cb 0.28 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.56 1cqg h LYS 39 CO 0.00 0.15 0.39 -1.35 -2.00 0.00 0.00 179.45 176.64 1cqg h PRO 40 N 0.09 0.76 -0.19 0.07 0.11 -1.80 0.71 132.00 131.75 1cqg h PRO 40 Ca 0.02 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1cqg h PRO 40 Cb 0.15 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1cqg h PRO 40 CO 0.01 0.50 -0.17 0.74 -0.21 0.00 0.00 178.00 178.87 1cqg h PHE 41 N 0.78 0.53 0.22 0.65 -1.00 -1.86 0.88 116.94 117.13 1cqg h PHE 41 Ca 0.22 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1cqg h PHE 41 Cb -0.07 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1cqg h PHE 41 CO -0.04 0.80 -0.10 0.35 -1.61 0.00 0.00 178.31 177.70 1cqg h PHE 42 N 0.11 -0.27 -0.37 -0.55 3.57 -1.46 -1.22 116.94 116.74 1cqg h PHE 42 Ca 0.03 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1cqg h PHE 42 Cb 0.70 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1cqg h PHE 42 CO 0.08 -0.12 -0.15 1.25 -2.23 0.00 0.00 178.31 177.14 1cqg h HIS 43 N -0.36 0.87 -0.82 0.41 2.76 0.43 -3.17 115.15 115.27 1cqg h HIS 43 Ca -0.03 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 57.89 1cqg h HIS 43 Cb 0.27 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 1cqg h HIS 43 CO -0.04 0.93 0.37 0.77 -1.30 0.00 0.00 177.93 178.66 1cqg h SER 44 N 0.56 1.10 0.11 3.26 0.02 0.85 -2.44 113.55 117.01 1cqg h SER 44 Ca 0.09 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1cqg h SER 44 Cb 0.69 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1cqg h SER 44 CO 0.05 0.95 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.59 1cqg h LEU 45 N 1.19 0.00 -1.47 5.07 3.38 -1.19 -2.23 115.31 120.06 1cqg h LEU 45 Ca 0.28 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.40 1cqg h LEU 45 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1cqg h LEU 45 CO -0.03 0.02 0.53 0.28 0.09 0.00 0.00 178.44 179.33 1cqg h SER 46 N 0.00 0.49 0.76 -0.43 0.02 -1.47 0.67 113.55 113.59 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 0.09 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1cqg h SER 46 CO 0.00 0.25 -0.54 -0.62 -1.14 0.00 0.00 176.83 174.79 1cqg n GLU 47 N -4.51 0.18 0.12 3.45 4.71 -0.84 -2.77 120.64 120.98 1cqg n GLU 47 Ca 0.15 0.05 -0.20 0.00 -0.01 0.00 0.00 57.16 57.15 1cqg n GLU 47 Cb 0.50 -1.61 -0.15 0.00 -1.01 0.00 0.00 31.44 29.17 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 0.40 -2.19 3.49 3.64 0.18 -3.35 116.57 118.74 1cqg h LYS 48 Ca 0.00 -0.69 -0.59 0.00 -1.27 0.00 0.00 60.65 58.10 1cqg h LYS 48 Cb 0.65 0.26 -0.42 0.00 -0.41 0.00 0.00 32.23 32.31 1cqg h LYS 48 CO 0.00 1.32 -0.65 0.66 -2.27 0.00 0.00 179.45 178.51 1cqg n TYR 49 N -3.62 3.36 0.21 1.91 4.01 0.69 -4.85 117.16 118.87 1cqg n TYR 49 Ca -0.14 -4.08 0.03 0.00 -0.16 0.00 0.00 57.90 53.55 1cqg n TYR 49 Cb 1.07 -0.53 0.13 0.00 -0.31 0.00 0.00 39.34 39.69 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 0.70 0.00 -0.67 7.72 3.41 -1.12 -0.05 113.62 123.61 1cqg n SER 50 Ca 0.29 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.46 1cqg n SER 50 Cb 0.42 -0.49 0.25 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.49 1.98 -4.18 4.04 5.15 -1.26 -4.70 115.26 114.79 1cqg n ASN 51 Ca 0.02 -1.89 -0.23 0.00 -0.60 0.00 0.00 54.58 51.87 1cqg n ASN 51 Cb 0.07 -0.20 -0.14 0.00 -0.53 0.00 0.00 39.78 38.97 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 -1.60 1.37 -0.25 3.44 1.01 0.93 -4.43 120.40 120.88 1cqg s VAL 52 Ca 0.29 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1cqg s VAL 52 Cb 0.15 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1cqg s VAL 52 CO 0.21 0.21 0.17 -0.63 0.00 0.00 0.00 175.10 175.06 1cqg s ILE 53 N -0.66 5.34 -0.20 2.22 -1.09 -0.95 -4.73 121.20 121.13 1cqg s ILE 53 Ca 0.05 0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.60 1cqg s ILE 53 Cb -0.08 -3.51 -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 1.19 3.21 -0.07 3.97 0.40 -1.26 -2.02 117.98 123.40 1cqg s PHE 54 Ca 0.08 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1cqg s PHE 54 Cb -0.14 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 1cqg s PHE 54 CO 0.06 0.03 -0.07 -0.51 0.70 0.00 0.00 175.22 175.42 1cqg s LEU 55 N 0.71 3.17 -0.15 -0.37 1.02 0.54 -2.84 118.68 120.76 1cqg s LEU 55 Ca 0.04 -0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.13 1cqg s LEU 55 Cb -0.13 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 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 -0.80 3.59 -0.04 1.70 2.12 -0.95 -0.91 118.70 123.40 1cqg s GLU 56 Ca 0.12 -0.55 0.03 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 0.25 -0.14 0.08 -0.54 0.00 0.00 175.26 174.93 1cqg s VAL 57 N 0.31 1.19 -0.28 3.70 1.01 0.16 -2.50 120.40 123.99 1cqg s VAL 57 Ca -0.05 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1cqg s VAL 57 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1cqg s VAL 57 CO 0.03 0.36 0.37 -0.62 0.00 0.00 0.00 175.10 175.24 1cqg s ASP 58 N 0.24 6.24 0.37 3.32 -1.08 -1.26 -3.62 116.67 120.88 1cqg s ASP 58 Ca -0.06 0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.46 1cqg s ASP 58 Cb -0.12 -2.21 1.19 0.00 -1.46 0.00 0.00 42.92 40.33 1cqg s ASP 58 CO 0.02 -0.20 1.82 -0.37 0.52 0.00 0.00 175.17 176.96 1cqg h VAL 59 N 5.41 0.00 0.07 1.11 -1.51 -1.74 0.98 116.25 120.57 1cqg h VAL 59 Ca -0.31 -0.26 -0.37 0.00 -1.23 0.00 0.00 66.70 64.53 1cqg h VAL 59 Cb 1.16 1.05 -0.04 0.00 -2.13 0.00 0.00 31.29 31.33 1cqg h VAL 59 CO 0.65 0.00 -2.12 0.47 -1.23 0.00 0.00 177.57 175.34 1cqg n ASP 60 N -2.51 2.05 0.02 4.19 9.92 -1.26 -3.10 116.55 125.85 1cqg n ASP 60 Ca 0.01 0.13 0.07 0.00 -0.53 0.00 0.00 54.79 54.46 1cqg n ASP 60 Cb 0.22 -0.73 -0.11 0.00 -0.64 0.00 0.00 41.12 39.86 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 -3.54 0.37 -2.03 -2.24 9.92 -1.17 -4.18 116.55 113.68 1cqg n ASP 61 Ca -0.38 0.15 -0.25 0.00 -0.53 0.00 0.00 54.79 53.79 1cqg n ASP 61 Cb 0.99 1.16 0.03 0.00 -0.64 0.00 0.00 41.12 42.65 1cqg n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cqg n ALA 62 N -2.32 5.11 0.32 2.24 0.00 0.34 -4.78 120.51 121.42 1cqg n ALA 62 Ca -0.08 -3.76 0.20 0.00 0.00 0.00 0.00 53.44 49.80 1cqg n ALA 62 Cb 0.68 -0.43 1.10 0.00 0.00 0.00 0.00 19.45 20.80 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 2.16 0.00 -0.43 0.00 3.07 -1.47 -1.14 115.11 117.30 1cqg h GLN 63 Ca 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.05 1cqg h GLN 63 Cb 1.48 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.02 1cqg h GLN 63 CO 0.82 0.00 -0.04 0.38 0.09 0.00 0.00 178.83 180.08 1cqg h ASP 64 N 0.00 0.70 -0.09 0.06 3.04 -1.87 0.39 116.42 118.65 1cqg h ASP 64 Ca -0.00 -0.17 -0.14 0.00 -3.24 0.00 0.00 57.03 53.48 1cqg h ASP 64 Cb 0.00 -0.19 0.01 0.00 -1.04 0.00 0.00 39.33 38.12 1cqg h ASP 64 CO 0.00 0.79 -0.49 0.58 -2.04 0.00 0.00 179.24 178.08 1cqg h VAL 65 N 0.67 1.38 -0.37 4.15 2.07 -1.55 -2.96 116.25 119.64 1cqg h VAL 65 Ca 0.13 -1.84 -0.16 0.00 0.82 0.00 0.00 66.70 65.65 1cqg h VAL 65 Cb 0.47 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1cqg h VAL 65 CO 0.02 0.55 -0.41 0.00 0.02 0.00 0.00 177.57 177.75 1cqg h ALA 66 N 0.45 0.56 -0.33 1.67 0.00 -1.36 -2.92 119.26 117.33 1cqg h ALA 66 Ca -0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1cqg h ALA 66 Cb 1.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1cqg h ALA 66 CO 0.10 0.68 0.18 0.66 0.00 0.00 0.00 179.25 180.87 1cqg h SER 67 N 0.76 0.40 -0.87 0.00 4.64 -0.28 -1.21 113.55 116.99 1cqg h SER 67 Ca 0.06 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1cqg h SER 67 Cb 1.00 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 1cqg h SER 67 CO 0.10 0.33 0.44 -0.08 -0.87 0.00 0.00 176.83 176.75 1cqg h GLU 68 N 0.46 1.23 -0.06 4.77 4.81 -1.34 -2.11 114.58 122.35 1cqg h GLU 68 Ca 0.12 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1cqg h GLU 68 Cb 0.02 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1cqg h GLU 68 CO -0.02 0.93 0.00 0.00 -0.73 0.00 0.00 179.01 179.19 1cqg n ALA 69 N -2.42 2.57 -3.66 2.92 0.00 -0.56 -4.93 120.51 114.43 1cqg n ALA 69 Ca 0.09 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 1cqg n ALA 69 Cb 0.12 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.44 1cqg n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cqg n GLU 70 N 0.09 -5.26 -1.91 0.00 -0.58 -0.58 -4.84 120.64 107.55 1cqg n GLU 70 Ca 0.18 0.66 -0.42 0.00 -0.42 0.00 0.00 57.16 57.17 1cqg n GLU 70 Cb 0.32 -5.32 -0.03 0.00 -0.57 0.00 0.00 31.44 25.84 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 -3.60 2.53 -0.68 2.62 1.01 -1.09 -4.86 120.40 116.33 1cqg s VAL 71 Ca 0.02 0.39 0.18 0.00 0.00 0.00 0.00 61.98 62.57 1cqg s VAL 71 Cb -0.01 -3.25 -0.22 0.00 0.00 0.00 0.00 36.38 32.90 1cqg s VAL 71 CO 0.80 0.03 0.69 0.29 0.00 0.00 0.00 175.10 176.92 1cqg n LYS 72 N 3.74 0.91 -3.48 2.72 4.76 -1.26 -4.99 118.16 120.56 1cqg n LYS 72 Ca 0.13 -0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 1cqg n LYS 72 Cb 0.38 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.84 -1.73 0.16 7.82 0.00 -1.26 -5.17 121.76 118.74 1cqg s ALA 73 Ca 0.04 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.02 1cqg s ALA 73 Cb 0.13 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1cqg s ALA 73 CO 0.75 -0.60 -0.19 0.95 0.00 0.00 0.00 175.76 176.67 1cqg s THR 74 N -2.66 1.86 0.37 0.00 -4.23 -1.26 -4.08 115.64 105.63 1cqg s THR 74 Ca -0.02 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.36 1cqg s THR 74 Cb -0.01 -1.84 -0.09 0.00 1.34 0.00 0.00 72.50 71.90 1cqg s THR 74 CO -0.05 -0.27 1.01 -2.16 -0.54 0.00 0.00 174.62 172.61 1cqg s PRO 75 N -2.70 4.34 -0.06 3.99 0.04 -1.26 -4.87 135.00 134.48 1cqg s PRO 75 Ca 0.15 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1cqg s PRO 75 Cb -0.06 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.86 1cqg s PRO 75 CO 0.07 0.03 -0.13 0.99 0.04 0.00 0.00 177.00 178.00 1cqg s THR 76 N -1.67 1.17 -0.15 1.26 2.01 -1.26 -2.74 115.64 114.26 1cqg s THR 76 Ca 0.55 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1cqg s THR 76 Cb -0.20 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1cqg s THR 76 CO 0.25 0.36 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.13 1cqg s PHE 77 N 0.54 2.99 -0.01 4.92 0.08 -0.40 -1.00 117.98 125.10 1cqg s PHE 77 Ca -0.13 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.66 1cqg s PHE 77 Cb -0.15 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1cqg s PHE 77 CO 0.03 -0.05 -0.25 -0.65 -0.10 0.00 0.00 175.22 174.20 1cqg s GLN 78 N 0.33 2.01 -0.14 0.44 -0.21 -0.48 -1.87 119.66 119.74 1cqg s GLN 78 Ca -0.05 -0.92 -0.04 0.00 0.02 0.00 0.00 55.36 54.37 1cqg s GLN 78 Cb -0.14 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 1cqg s GLN 78 CO 0.03 0.54 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.67 1cqg s PHE 79 N -0.61 3.08 0.05 0.91 0.40 0.58 -0.39 117.98 122.00 1cqg s PHE 79 Ca 0.10 -0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.36 1cqg s PHE 79 Cb -0.10 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1cqg s PHE 79 CO -0.01 0.09 -0.21 -0.06 0.70 0.00 0.00 175.22 175.74 1cqg s PHE 80 N 0.11 1.79 -0.11 0.36 0.40 0.43 -0.21 117.98 120.75 1cqg s PHE 80 Ca 0.00 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1cqg s PHE 80 Cb -0.13 -1.05 0.05 0.00 0.51 0.00 0.00 43.02 42.39 1cqg s PHE 80 CO 0.02 0.11 0.24 0.21 0.70 0.00 0.00 175.22 176.50 1cqg s LYS 81 N -1.31 0.18 -1.39 0.44 2.47 0.15 -2.03 119.74 118.25 1cqg s LYS 81 Ca 0.07 0.57 -0.04 0.00 -1.56 0.00 0.00 55.97 55.01 1cqg s LYS 81 Cb -0.09 -0.11 0.02 0.00 -1.46 0.00 0.00 37.83 36.19 1cqg s LYS 81 CO 0.02 -0.20 0.34 1.63 0.16 0.00 0.00 175.35 177.30 1cqg n LYS 82 N 4.53 -3.36 -1.27 4.03 5.02 -1.22 -0.60 118.16 125.29 1cqg n LYS 82 Ca -0.20 0.73 -0.04 0.00 -2.02 0.00 0.00 58.31 56.77 1cqg n LYS 82 Cb 0.52 -5.46 -0.02 0.00 -0.02 0.00 0.00 35.03 30.06 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 -1.18 0.63 3.08 0.72 0.00 -1.26 -5.03 105.19 102.16 1cqg n GLY 83 Ca -0.11 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.64 0.93 -0.05 1.61 -0.21 0.23 -5.12 119.66 114.40 1cqg s GLN 84 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 1cqg s GLN 84 Cb 0.00 -0.90 -0.03 0.00 1.00 0.00 0.00 33.01 33.08 1cqg s GLN 84 CO 0.00 0.24 1.09 0.21 -2.12 0.00 0.00 175.29 174.71 1cqg s LYS 85 N -0.49 4.43 -0.02 2.91 2.20 -1.26 0.33 119.74 127.83 1cqg s LYS 85 Ca 0.03 1.54 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 1cqg s LYS 85 Cb -0.05 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1cqg s LYS 85 CO -0.00 -0.30 0.98 1.33 -0.36 0.00 0.00 175.35 177.00 1cqg n VAL 86 N 4.37 1.05 -3.64 4.02 0.24 0.70 -4.92 118.33 120.15 1cqg n VAL 86 Ca 0.09 -1.12 -0.02 0.00 -2.04 0.00 0.00 64.34 61.25 1cqg n VAL 86 Cb 0.48 0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 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 -1.26 0.04 -0.28 7.63 0.00 -1.19 -4.91 107.32 107.36 1cqg s GLY 87 Ca 0.06 2.68 -0.23 0.00 0.00 0.00 0.00 44.72 47.23 1cqg s GLY 87 CO 0.01 1.02 0.82 1.85 0.00 0.00 0.00 173.10 176.80 1cqg s GLU 88 N -1.22 0.68 0.06 2.90 2.56 -1.26 -0.31 118.70 122.12 1cqg s GLU 88 Ca 0.10 0.90 -0.26 0.00 0.00 0.00 0.00 54.97 55.70 1cqg s GLU 88 Cb -0.01 0.29 0.09 0.00 2.00 0.00 0.00 34.13 36.50 1cqg s GLU 88 CO -0.07 -0.10 0.74 -0.59 -0.56 0.00 0.00 175.26 174.69 1cqg s PHE 89 N 0.63 -0.46 0.23 5.30 -0.12 -0.78 -5.01 117.98 117.77 1cqg s PHE 89 Ca -0.02 0.35 0.08 0.00 -0.05 0.00 0.00 56.93 57.29 1cqg s PHE 89 Cb -0.05 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.83 1cqg s PHE 89 CO -0.06 -0.68 -0.12 -1.54 -0.05 0.00 0.00 175.22 172.77 1cqg s SER 90 N -2.45 2.68 0.00 1.98 1.04 -1.26 -1.27 113.70 114.42 1cqg s SER 90 Ca 0.02 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.37 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 -0.09 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1cqg n GLY 91 N -0.46 3.77 2.63 7.32 0.00 -1.11 -4.90 105.19 112.44 1cqg n GLY 91 Ca -0.07 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.50 6.00 -4.01 4.61 0.00 -1.26 -4.79 120.51 120.55 1cqg n ALA 92 Ca 0.00 -3.75 -0.31 0.00 0.00 0.00 0.00 53.44 49.38 1cqg n ALA 92 Cb 0.00 -3.49 -0.15 0.00 0.00 0.00 0.00 19.45 15.81 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 2.99 4.73 0.24 0.00 3.04 -1.26 -4.97 114.94 119.70 1cqg s ASN 93 Ca 0.53 -2.24 0.00 0.00 0.04 0.00 0.00 52.86 51.19 1cqg s ASN 93 Cb 0.15 -1.63 0.27 0.00 -1.54 0.00 0.00 41.25 38.50 1cqg s ASN 93 CO -0.07 -0.37 1.61 0.07 -3.04 0.00 0.00 177.10 175.30 1cqg h LYS 94 N 7.50 0.48 -0.00 0.43 -0.00 -1.96 -2.87 116.57 120.15 1cqg h LYS 94 Ca -0.04 -0.24 -0.04 0.00 -0.00 0.00 0.00 60.65 60.32 1cqg h LYS 94 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.23 1cqg h LYS 94 CO 0.54 0.81 -0.20 0.93 -0.00 0.00 0.00 179.45 181.53 1cqg h GLU 95 N 0.40 0.00 -0.70 0.07 4.39 -2.00 -2.29 114.58 114.44 1cqg h GLU 95 Ca 0.03 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1cqg h GLU 95 Cb 0.89 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1cqg h GLU 95 CO 0.08 0.21 0.41 -0.22 -1.16 0.00 0.00 179.01 178.32 1cqg h LYS 96 N 0.00 0.96 -0.88 2.33 3.64 -1.93 -1.45 116.57 119.24 1cqg h LYS 96 Ca -0.00 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 96 Cb 0.37 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1cqg h LYS 96 CO 0.03 0.68 0.58 -0.07 -2.27 0.00 0.00 179.45 178.40 1cqg h LEU 97 N 0.97 0.94 -0.70 5.20 3.38 -1.49 -2.00 115.31 121.61 1cqg h LEU 97 Ca 0.25 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1cqg h LEU 97 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1cqg h LEU 97 CO -0.04 0.65 0.22 -0.08 0.09 0.00 0.00 178.44 179.27 1cqg h GLU 98 N 1.09 1.09 -0.26 1.13 4.57 -1.31 -2.27 114.58 118.62 1cqg h GLU 98 Ca 0.35 -0.23 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 1cqg h GLU 98 Cb 0.03 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1cqg h GLU 98 CO -0.10 0.94 -0.19 0.00 -1.18 0.00 0.00 179.01 178.48 1cqg h ALA 99 N 1.10 0.38 -0.67 2.92 0.00 -1.18 -2.51 119.26 119.30 1cqg h ALA 99 Ca 0.23 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1cqg h ALA 99 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1cqg h ALA 99 CO -0.01 0.31 0.10 1.15 0.00 0.00 0.00 179.25 180.80 1cqg h THR 100 N 0.32 1.27 0.15 0.00 2.02 -1.39 -0.13 112.91 115.14 1cqg h THR 100 Ca 0.05 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1cqg h THR 100 Cb 0.73 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1cqg h THR 100 CO 0.05 0.40 -0.07 0.40 0.37 0.00 0.00 175.52 176.66 1cqg h ILE 101 N 1.05 0.88 -0.42 3.11 2.04 -1.39 0.15 117.51 122.92 1cqg h ILE 101 Ca 0.20 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1cqg h ILE 101 Cb 0.46 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1cqg h ILE 101 CO 0.02 0.03 0.26 -1.13 0.00 0.00 0.00 178.15 177.33 1cqg h ASN 102 N -0.28 0.49 -0.49 1.72 -1.24 -1.34 0.91 115.58 115.36 1cqg h ASN 102 Ca -0.02 -0.02 -0.13 0.00 0.71 0.00 0.00 56.30 56.84 1cqg h ASN 102 Cb 0.22 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1cqg h ASN 102 CO 0.03 0.37 -0.20 -0.08 -1.29 0.00 0.00 177.43 176.27 1cqg h GLU 103 N 0.57 1.01 -0.02 6.67 4.57 -0.21 -3.16 114.58 124.01 1cqg h GLU 103 Ca 0.15 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1cqg h GLU 103 Cb -0.03 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1cqg h GLU 103 CO -0.03 1.10 -0.19 1.28 -1.18 0.00 0.00 179.01 179.99 1cqg n LEU 104 N -4.11 2.55 0.00 1.64 4.77 0.44 -5.08 117.00 117.21 1cqg n LEU 104 Ca 0.00 -0.88 0.05 0.00 -0.03 0.00 0.00 56.01 55.15 1cqg n LEU 104 Cb 0.45 -0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.82 1cqg n LEU 104 CO 0.47 0.44 0.50 0.55 -1.33 0.00 0.00 177.39 178.02