#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cqg s VAL 2 N 0.00 4.79 -0.06 2.03 1.01 -1.26 -4.60 120.40 122.32 1cqg s VAL 2 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1cqg s VAL 2 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1cqg s VAL 2 CO 0.00 -0.28 -0.10 -0.75 0.00 0.00 0.00 175.10 173.96 1cqg s LYS 3 N -4.09 1.49 -0.24 2.72 2.47 -1.13 -5.06 119.74 115.90 1cqg s LYS 3 Ca 0.39 -0.34 -0.12 0.00 -1.56 0.00 0.00 55.97 54.34 1cqg s LYS 3 Cb -0.09 -1.27 -0.05 0.00 -1.46 0.00 0.00 37.83 34.96 1cqg s LYS 3 CO 0.30 -0.00 0.22 -1.14 0.16 0.00 0.00 175.35 174.90 1cqg s GLN 4 N 0.73 4.07 -0.36 4.03 0.74 -1.26 -2.01 119.66 125.60 1cqg s GLN 4 Ca -0.14 -0.16 -0.13 0.00 0.05 0.00 0.00 55.36 54.98 1cqg s GLN 4 Cb -0.15 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 1cqg s GLN 4 CO 0.03 -0.01 0.25 0.42 -0.55 0.00 0.00 175.29 175.43 1cqg s ILE 5 N 1.26 5.24 -2.83 -2.34 -1.09 -1.02 -4.92 121.20 115.50 1cqg s ILE 5 Ca 0.10 -0.34 0.24 0.00 -2.23 0.00 0.00 60.65 58.42 1cqg s ILE 5 Cb -0.14 -3.75 0.22 0.00 -1.58 0.00 0.00 42.46 37.21 1cqg s ILE 5 CO 0.06 -0.08 1.31 -0.62 -1.23 0.00 0.00 174.94 174.38 1cqg n GLU 6 N 5.11 2.12 -3.59 2.79 -0.58 -1.26 -4.42 120.64 120.82 1cqg n GLU 6 Ca -0.12 -1.71 -0.12 0.00 -0.42 0.00 0.00 57.16 54.79 1cqg n GLU 6 Cb 0.49 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.85 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 -2.05 -0.35 0.40 1.62 1.04 -1.26 -4.50 113.70 108.60 1cqg s SER 7 Ca 0.28 -0.10 0.12 0.00 0.48 0.00 0.00 55.95 56.73 1cqg s SER 7 Cb 0.20 0.49 0.81 0.00 0.10 0.00 0.00 66.02 67.62 1cqg s SER 7 CO 0.33 -0.81 1.90 0.50 0.98 0.00 0.00 173.24 176.15 1cqg h LYS 8 N 2.51 0.11 -0.30 4.02 3.64 -1.91 -1.84 116.57 122.79 1cqg h LYS 8 Ca -0.33 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1cqg h LYS 8 Cb 1.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1cqg h LYS 8 CO 0.44 0.33 0.17 1.15 -2.27 0.00 0.00 179.45 179.26 1cqg h THR 9 N 0.10 1.01 0.00 1.00 2.02 -1.97 -0.43 112.91 114.65 1cqg h THR 9 Ca 0.02 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1cqg h THR 9 Cb 0.46 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1cqg h THR 9 CO 0.03 0.06 -0.40 0.00 0.37 0.00 0.00 175.52 175.59 1cqg h ALA 10 N 1.14 1.32 -0.53 6.16 0.00 -1.86 -2.75 119.26 122.74 1cqg h ALA 10 Ca 0.12 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1cqg h ALA 10 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1cqg h ALA 10 CO -0.07 0.49 0.35 0.35 0.00 0.00 0.00 179.25 180.37 1cqg h PHE 11 N 0.00 0.66 -0.47 0.00 3.57 -0.28 0.45 116.94 120.86 1cqg h PHE 11 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1cqg h PHE 11 Cb 0.71 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1cqg h PHE 11 CO 0.00 0.41 0.13 1.96 -2.23 0.00 0.00 178.31 178.58 1cqg h GLN 12 N 0.70 0.74 -0.50 1.11 1.08 -1.07 -1.72 115.11 115.45 1cqg h GLN 12 Ca 0.20 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1cqg h GLN 12 Cb -0.06 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1cqg h GLN 12 CO -0.05 0.71 0.01 0.93 -0.95 0.00 0.00 178.83 179.48 1cqg h GLU 13 N 0.63 0.83 -0.43 1.46 4.39 -1.12 -2.31 114.58 118.02 1cqg h GLU 13 Ca 0.15 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1cqg h GLU 13 Cb 0.29 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1cqg h GLU 13 CO -0.00 0.82 -0.14 0.00 -1.16 0.00 0.00 179.01 178.53 1cqg h ALA 14 N 1.24 0.59 -0.96 3.43 0.00 0.14 -0.62 119.26 123.09 1cqg h ALA 14 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1cqg h ALA 14 Cb 0.45 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1cqg h ALA 14 CO 0.02 0.51 0.60 -0.07 0.00 0.00 0.00 179.25 180.30 1cqg h LEU 15 N 0.67 1.13 -0.82 0.00 3.38 -1.09 -1.12 115.31 117.46 1cqg h LEU 15 Ca 0.10 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1cqg h LEU 15 Cb 0.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1cqg h LEU 15 CO 0.05 0.85 -0.49 -0.78 0.09 0.00 0.00 178.44 178.15 1cqg h ASP 16 N 1.31 0.25 -0.40 -0.43 3.58 -1.14 -3.03 116.42 116.56 1cqg h ASP 16 Ca 0.35 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.55 1cqg h ASP 16 Cb -0.09 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1cqg h ASP 16 CO -0.07 0.71 -0.21 0.00 -2.88 0.00 0.00 179.24 176.79 1cqg h ALA 17 N 1.30 0.57 -0.58 -0.78 0.00 -0.11 -2.87 119.26 116.79 1cqg h ALA 17 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1cqg h ALA 17 Cb 0.94 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1cqg h ALA 17 CO 0.08 0.54 0.37 0.00 0.00 0.00 0.00 179.25 180.24 1cqg h ALA 18 N 0.81 1.56 -0.56 0.00 0.00 -1.17 -3.47 119.26 116.44 1cqg h ALA 18 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cqg h ALA 18 Cb 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cqg h ALA 18 CO 0.06 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1cqg n GLY 19 N -1.41 2.93 0.50 0.00 0.00 -1.08 -2.22 105.19 103.91 1cqg n GLY 19 Ca 0.06 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 7.78 1.52 -4.79 1.61 8.00 -1.26 -2.90 116.55 126.51 1cqg n ASP 20 Ca 0.00 -1.59 -0.35 0.00 0.71 0.00 0.00 54.79 53.56 1cqg n ASP 20 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.89 3.90 0.90 -1.24 1.02 -0.94 -4.74 119.74 116.75 1cqg s LYS 21 Ca 0.35 1.45 -0.11 0.00 0.02 0.00 0.00 55.97 57.69 1cqg s LYS 21 Cb 0.19 -2.26 0.14 0.00 -0.52 0.00 0.00 37.83 35.38 1cqg s LYS 21 CO 0.30 -0.36 1.16 -1.17 -0.92 0.00 0.00 175.35 174.35 1cqg s LEU 22 N -3.19 2.89 -0.19 3.17 0.20 -1.26 -4.56 118.68 115.74 1cqg s LEU 22 Ca 0.64 2.22 -0.04 0.00 0.69 0.00 0.00 54.13 57.64 1cqg s LEU 22 Cb -0.19 -4.57 0.09 0.00 -0.43 0.00 0.00 46.19 41.09 1cqg s LEU 22 CO 0.24 -3.05 0.27 -0.69 -0.29 0.00 0.00 176.35 172.82 1cqg s VAL 23 N -2.57 -0.41 -0.08 1.68 1.01 -0.62 -2.25 120.40 117.15 1cqg s VAL 23 Ca 0.68 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1cqg s VAL 23 Cb -0.24 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1cqg s VAL 23 CO 0.57 -0.08 0.12 -0.69 0.00 0.00 0.00 175.10 175.02 1cqg s VAL 24 N 2.40 5.26 -0.14 2.92 1.01 -0.72 -0.25 120.40 130.87 1cqg s VAL 24 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1cqg s VAL 24 Cb -0.14 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1cqg s VAL 24 CO -0.12 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1cqg s VAL 25 N -1.09 1.56 -0.30 2.92 1.01 0.58 -0.68 120.40 124.41 1cqg s VAL 25 Ca 0.18 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1cqg s VAL 25 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1cqg s VAL 25 CO 0.08 0.46 0.23 -0.62 0.00 0.00 0.00 175.10 175.24 1cqg s ASP 26 N 1.43 6.06 -0.25 3.32 2.15 -0.25 -1.43 116.67 127.71 1cqg s ASP 26 Ca 0.04 -0.09 0.07 0.00 0.43 0.00 0.00 52.55 53.00 1cqg s ASP 26 Cb -0.13 -2.14 0.57 0.00 -0.30 0.00 0.00 42.92 40.93 1cqg s ASP 26 CO -0.10 -0.12 1.55 0.49 -0.17 0.00 0.00 175.17 176.82 1cqg n PHE 27 N 5.11 1.89 -1.73 -5.34 3.72 -0.30 0.21 117.46 121.02 1cqg n PHE 27 Ca -0.13 -0.95 -0.39 0.00 -0.05 0.00 0.00 57.45 55.93 1cqg n PHE 27 Cb 0.51 -0.57 0.03 0.00 -0.94 0.00 0.00 39.48 38.52 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 -0.03 2.69 -4.67 4.37 7.64 -1.24 -4.39 113.62 117.98 1cqg n SER 28 Ca 0.31 1.02 -0.41 0.00 1.01 0.00 0.00 58.87 60.80 1cqg n SER 28 Cb 1.15 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.27 3.51 0.33 -0.43 0.00 -1.26 -4.24 121.76 118.39 1cqg s ALA 29 Ca 0.68 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.72 1cqg s ALA 29 Cb -0.44 -3.17 0.57 0.00 0.00 0.00 0.00 23.12 20.08 1cqg s ALA 29 CO 0.52 -0.60 1.77 0.00 0.00 0.00 0.00 175.76 177.45 1cqg h THR 30 N 5.16 1.28 0.00 0.00 1.03 -1.91 -2.18 112.91 116.29 1cqg h THR 30 Ca -0.30 -1.34 -0.03 0.00 -0.01 0.00 0.00 66.41 64.72 1cqg h THR 30 Cb 1.14 1.61 -0.00 0.00 -1.07 0.00 0.00 68.15 69.82 1cqg h THR 30 CO 0.82 0.40 -0.16 4.11 -0.01 0.00 0.00 175.52 180.68 1cqg h TRP 31 N 0.16 0.00 -3.40 0.00 5.08 -2.01 -3.41 115.95 112.37 1cqg h TRP 31 Ca 0.02 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.40 1cqg h TRP 31 Cb 0.71 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.78 1cqg h TRP 31 CO 0.01 0.16 0.58 0.00 -1.28 0.00 0.00 178.44 177.91 1cqg h GLY 33 N 9.76 -0.10 0.69 0.00 0.00 -1.83 -0.59 103.07 110.99 1cqg h GLY 33 Ca -0.23 0.05 0.14 0.00 0.00 0.00 0.00 47.33 47.29 1cqg h GLY 33 CO 0.95 -0.05 0.51 -2.55 0.00 0.00 0.00 176.54 175.40 1cqg h PRO 34 N -0.11 0.49 0.04 4.80 0.11 -1.93 0.26 132.00 135.65 1cqg h PRO 34 Ca -0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1cqg h PRO 34 Cb 0.10 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.11 1cqg h PRO 34 CO -0.00 0.32 -0.29 0.00 -0.21 0.00 0.00 178.00 177.82 1cqg h ALA 35 N 1.63 -0.02 -0.31 -0.75 0.00 -1.74 -3.18 119.26 114.89 1cqg h ALA 35 Ca 0.38 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cqg h ALA 35 Cb 0.77 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1cqg h ALA 35 CO -0.14 0.12 0.20 -0.22 0.00 0.00 0.00 179.25 179.22 1cqg h LYS 36 N -0.68 0.41 -0.04 0.00 3.64 -0.69 -0.09 116.57 119.12 1cqg h LYS 36 Ca -0.05 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1cqg h LYS 36 Cb 1.17 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1cqg h LYS 36 CO 0.06 0.28 0.03 1.98 -2.27 0.00 0.00 179.45 179.52 1cqg h MET 37 N 0.43 0.02 -0.00 1.90 4.05 -0.51 -0.52 114.93 120.29 1cqg h MET 37 Ca 0.11 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1cqg h MET 37 Cb -0.04 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1cqg h MET 37 CO -0.02 0.01 -0.04 -0.89 0.23 0.00 0.00 176.91 176.20 1cqg n ILE 38 N -4.53 0.00 0.20 1.77 5.41 -0.05 -4.14 119.36 118.02 1cqg n ILE 38 Ca -0.02 -0.08 0.07 0.00 1.00 0.00 0.00 62.75 63.72 1cqg n ILE 38 Cb 0.11 -0.13 0.57 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 0.73 0.10 -0.79 0.38 2.10 -1.07 -3.09 116.57 114.93 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 0.26 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.52 1cqg h LYS 39 CO 0.00 0.11 0.52 -1.35 -2.00 0.00 0.00 179.45 176.73 1cqg h PRO 40 N 0.11 1.04 -0.19 0.07 0.11 -1.80 0.67 132.00 132.01 1cqg h PRO 40 Ca 0.03 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 1cqg h PRO 40 Cb 0.05 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 1cqg h PRO 40 CO -0.00 0.69 -0.10 0.74 -0.21 0.00 0.00 178.00 179.11 1cqg h PHE 41 N 1.07 0.46 0.17 0.65 -1.00 -1.86 0.92 116.94 117.35 1cqg h PHE 41 Ca 0.29 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 1cqg h PHE 41 Cb -0.12 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.34 1cqg h PHE 41 CO -0.02 0.71 -0.08 0.35 -1.61 0.00 0.00 178.31 177.66 1cqg h PHE 42 N 0.09 -0.21 -0.53 -0.55 3.57 -1.50 -1.43 116.94 116.37 1cqg h PHE 42 Ca 0.04 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 1cqg h PHE 42 Cb 0.59 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1cqg h PHE 42 CO 0.07 -0.01 -0.13 1.25 -2.23 0.00 0.00 178.31 177.26 1cqg h HIS 43 N -0.38 1.16 -0.48 0.41 2.76 0.35 -3.05 115.15 115.91 1cqg h HIS 43 Ca -0.02 -0.25 -0.05 0.00 -2.20 0.00 0.00 60.37 57.84 1cqg h HIS 43 Cb 0.30 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1cqg h HIS 43 CO -0.02 1.08 0.09 0.77 -1.30 0.00 0.00 177.93 178.55 1cqg h SER 44 N 0.90 0.69 0.34 3.26 0.02 0.95 -2.43 113.55 117.30 1cqg h SER 44 Ca 0.13 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cqg h SER 44 Cb 0.71 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1cqg h SER 44 CO 0.05 0.71 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.37 1cqg h LEU 45 N 0.71 0.00 -1.36 5.07 3.38 -1.14 -2.36 115.31 119.61 1cqg h LEU 45 Ca 0.16 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1cqg h LEU 45 Cb 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1cqg h LEU 45 CO 0.00 0.01 0.54 0.28 0.09 0.00 0.00 178.44 179.37 1cqg h SER 46 N 0.00 0.61 0.94 -0.43 0.02 -1.48 0.22 113.55 113.43 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 0.19 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1cqg h SER 46 CO 0.00 0.33 -0.65 -0.33 -1.14 0.00 0.00 176.83 175.04 1cqg h GLU 47 N 0.66 0.00 0.16 3.45 3.07 -1.62 -2.77 114.58 117.53 1cqg h GLU 47 Ca 0.40 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.97 1cqg h GLU 47 Cb 0.63 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.56 1cqg h GLU 47 CO -0.17 0.00 -1.30 -0.22 -1.40 0.00 0.00 179.01 175.93 1cqg h LYS 48 N 0.00 0.43 -2.18 2.33 3.64 -0.69 -3.35 116.57 116.74 1cqg h LYS 48 Ca 0.00 -0.68 -0.59 0.00 -1.27 0.00 0.00 60.65 58.12 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 -0.71 0.66 -2.27 0.00 0.00 179.45 178.44 1cqg n TYR 49 N -3.65 3.04 0.24 1.91 4.01 0.39 -4.86 117.16 118.24 1cqg n TYR 49 Ca -0.12 -4.02 0.02 0.00 -0.16 0.00 0.00 57.90 53.62 1cqg n TYR 49 Cb 1.03 -0.51 0.13 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.62 0.00 0.21 7.72 3.41 -1.05 -0.40 113.62 124.14 1cqg n SER 50 Ca 0.29 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 59.22 1cqg n SER 50 Cb 0.44 -0.29 0.16 0.00 -0.26 0.00 0.00 64.21 64.26 1cqg n SER 50 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1cqg h ASN 51 N 0.00 0.00 -3.26 4.04 -0.73 -1.89 -3.45 115.58 110.29 1cqg h ASN 51 Ca 0.00 0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.52 1cqg h ASN 51 Cb 0.05 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 38.53 1cqg h ASN 51 CO 0.00 0.04 -0.63 -0.69 -0.37 0.00 0.00 177.43 175.78 1cqg s VAL 52 N -3.19 4.29 -0.28 2.57 1.01 0.47 -4.50 120.40 120.77 1cqg s VAL 52 Ca 0.07 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1cqg s VAL 52 Cb 0.05 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1cqg s VAL 52 CO 0.68 0.15 0.20 -0.63 0.00 0.00 0.00 175.10 175.49 1cqg s ILE 53 N -1.33 5.30 -0.23 2.22 -1.09 -0.95 -4.96 121.20 120.17 1cqg s ILE 53 Ca 0.27 0.19 -0.11 0.00 -2.23 0.00 0.00 60.65 58.77 1cqg s ILE 53 Cb -0.12 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1cqg s ILE 53 CO 0.19 0.25 0.17 -0.36 -1.23 0.00 0.00 174.94 173.96 1cqg s PHE 54 N 1.77 3.34 -0.04 3.97 0.40 -1.26 -1.76 117.98 124.40 1cqg s PHE 54 Ca 0.07 0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.70 1cqg s PHE 54 Cb -0.16 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 1cqg s PHE 54 CO 0.11 0.11 -0.09 -0.51 0.70 0.00 0.00 175.22 175.54 1cqg s LEU 55 N 0.92 3.07 -0.14 -0.37 1.02 0.15 -2.83 118.68 120.50 1cqg s LEU 55 Ca 0.08 -0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 1cqg s LEU 55 Cb -0.13 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 1cqg s LEU 55 CO 0.03 0.33 -0.04 -0.70 0.02 0.00 0.00 176.35 175.99 1cqg s GLU 56 N -1.02 3.49 -0.06 1.70 2.12 -0.85 -1.09 118.70 122.98 1cqg s GLU 56 Ca 0.14 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.98 1cqg s GLU 56 Cb -0.11 -2.85 0.01 0.00 0.26 0.00 0.00 34.13 31.44 1cqg s GLU 56 CO 0.03 0.34 -0.14 0.08 -0.54 0.00 0.00 175.26 175.03 1cqg s VAL 57 N 0.10 1.23 -0.26 3.70 1.01 0.13 -2.43 120.40 123.88 1cqg s VAL 57 Ca -0.01 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1cqg s VAL 57 Cb -0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1cqg s VAL 57 CO 0.03 0.37 0.43 -0.62 0.00 0.00 0.00 175.10 175.31 1cqg s ASP 58 N 0.52 6.34 0.56 3.32 -1.08 -1.26 -3.71 116.67 121.35 1cqg s ASP 58 Ca -0.13 0.40 0.36 0.00 -0.52 0.00 0.00 52.55 52.65 1cqg s ASP 58 Cb -0.15 -2.24 1.60 0.00 -1.46 0.00 0.00 42.92 40.68 1cqg s ASP 58 CO 0.04 -0.22 2.06 -0.37 0.52 0.00 0.00 175.17 177.20 1cqg h VAL 59 N 5.37 0.00 0.05 1.11 -1.51 -1.77 1.30 116.25 120.81 1cqg h VAL 59 Ca -0.31 -0.36 -0.33 0.00 -1.23 0.00 0.00 66.70 64.48 1cqg h VAL 59 Cb 1.15 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 1cqg h VAL 59 CO 0.68 0.00 -1.81 0.47 -1.23 0.00 0.00 177.57 175.68 1cqg n ASP 60 N -3.01 1.99 0.02 4.19 9.92 -1.26 -2.68 116.55 125.72 1cqg n ASP 60 Ca -0.00 0.28 0.11 0.00 -0.53 0.00 0.00 54.79 54.65 1cqg n ASP 60 Cb 0.24 -0.86 0.04 0.00 -0.64 0.00 0.00 41.12 39.90 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 -3.92 0.63 -1.76 -2.24 8.00 -1.19 -4.00 116.55 112.07 1cqg n ASP 61 Ca -0.36 -0.28 -0.12 0.00 0.71 0.00 0.00 54.79 54.75 1cqg n ASP 61 Cb 0.88 0.73 0.07 0.00 -0.02 0.00 0.00 41.12 42.78 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 -1.76 4.19 0.30 2.24 0.00 0.45 -4.74 120.51 121.19 1cqg n ALA 62 Ca 0.03 -3.44 0.16 0.00 0.00 0.00 0.00 53.44 50.19 1cqg n ALA 62 Cb 0.41 -0.43 0.97 0.00 0.00 0.00 0.00 19.45 20.40 1cqg n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1cqg h GLN 63 N 1.88 0.00 -0.50 0.00 3.07 -1.39 -0.03 115.11 118.13 1cqg h GLN 63 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.81 1cqg h GLN 63 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.93 1cqg h GLN 63 CO 0.46 0.00 -0.09 0.38 0.09 0.00 0.00 178.83 179.67 1cqg h ASP 64 N 0.00 0.91 -0.23 0.06 3.04 -1.87 0.44 116.42 118.77 1cqg h ASP 64 Ca -0.00 -0.28 -0.08 0.00 -3.24 0.00 0.00 57.03 53.43 1cqg h ASP 64 Cb 0.00 -0.25 -0.00 0.00 -1.04 0.00 0.00 39.33 38.04 1cqg h ASP 64 CO 0.00 1.02 -0.18 0.58 -2.04 0.00 0.00 179.24 178.62 1cqg h VAL 65 N 0.83 1.31 -0.15 4.15 2.07 -1.34 -2.94 116.25 120.18 1cqg h VAL 65 Ca 0.14 -1.31 -0.19 0.00 0.82 0.00 0.00 66.70 66.16 1cqg h VAL 65 Cb 0.62 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1cqg h VAL 65 CO 0.04 0.41 -0.67 0.00 0.02 0.00 0.00 177.57 177.37 1cqg h ALA 66 N 0.69 0.53 -0.74 1.67 0.00 -1.30 -3.15 119.26 116.96 1cqg h ALA 66 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cqg h ALA 66 Cb 0.71 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1cqg h ALA 66 CO 0.05 0.71 0.47 0.66 0.00 0.00 0.00 179.25 181.14 1cqg h SER 67 N 0.44 0.86 -0.69 0.00 4.64 -0.13 -0.62 113.55 118.05 1cqg h SER 67 Ca -0.02 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1cqg h SER 67 Cb 1.25 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1cqg h SER 67 CO 0.13 0.63 0.27 -0.08 -0.87 0.00 0.00 176.83 176.91 1cqg h GLU 68 N 1.00 1.05 -0.01 4.77 4.22 -1.48 -1.93 114.58 122.21 1cqg h GLU 68 Ca 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1cqg h GLU 68 Cb -0.09 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 28.98 1cqg h GLU 68 CO -0.06 0.86 -0.03 0.00 -2.18 0.00 0.00 179.01 177.60 1cqg n ALA 69 N -2.44 2.68 -3.74 2.92 0.00 -0.56 -4.93 120.51 114.44 1cqg n ALA 69 Ca 0.06 -0.30 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 1cqg n ALA 69 Cb 0.18 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.60 -5.03 -1.90 0.00 4.71 -0.35 -4.85 120.64 112.62 1cqg n GLU 70 Ca 0.19 0.62 -0.41 0.00 -0.01 0.00 0.00 57.16 57.55 1cqg n GLU 70 Cb 0.24 -5.23 -0.02 0.00 -1.01 0.00 0.00 31.44 25.42 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 -3.61 2.41 -0.51 2.62 1.01 -1.11 -4.88 120.40 116.33 1cqg s VAL 71 Ca 0.11 0.33 0.14 0.00 0.00 0.00 0.00 61.98 62.57 1cqg s VAL 71 Cb -0.06 -3.21 -0.17 0.00 0.00 0.00 0.00 36.38 32.94 1cqg s VAL 71 CO 0.81 0.05 0.53 0.29 0.00 0.00 0.00 175.10 176.78 1cqg n LYS 72 N 2.50 1.96 -3.49 2.72 4.76 -1.26 -5.01 118.16 120.34 1cqg n LYS 72 Ca 0.08 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 1cqg n LYS 72 Cb 0.39 -1.20 -0.04 0.00 -1.84 0.00 0.00 35.03 32.34 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 -2.47 -1.75 0.13 7.82 0.00 -1.26 -5.17 121.76 119.07 1cqg s ALA 73 Ca 0.03 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.12 1cqg s ALA 73 Cb 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1cqg s ALA 73 CO 0.57 -0.53 -0.16 0.95 0.00 0.00 0.00 175.76 176.60 1cqg s THR 74 N -2.24 1.52 0.32 0.00 -4.23 -1.26 -4.08 115.64 105.66 1cqg s THR 74 Ca -0.04 -1.77 -0.27 0.00 -1.18 0.00 0.00 61.69 58.43 1cqg s THR 74 Cb -0.01 -1.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 1cqg s THR 74 CO -0.01 -0.36 1.00 -2.16 -0.54 0.00 0.00 174.62 172.56 1cqg s PRO 75 N -2.66 4.53 -0.05 3.99 0.04 -1.26 -4.89 135.00 134.70 1cqg s PRO 75 Ca 0.11 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1cqg s PRO 75 Cb -0.06 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1cqg s PRO 75 CO 0.04 0.19 -0.14 0.99 0.04 0.00 0.00 177.00 178.13 1cqg s THR 76 N -1.47 1.18 -0.14 1.26 2.01 -1.26 -2.73 115.64 114.49 1cqg s THR 76 Ca 0.50 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1cqg s THR 76 Cb -0.23 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1cqg s THR 76 CO 0.29 0.35 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.15 1cqg s PHE 77 N 0.26 2.95 -0.01 4.92 0.08 -0.26 -1.15 117.98 124.78 1cqg s PHE 77 Ca -0.07 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 56.69 1cqg s PHE 77 Cb -0.12 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1cqg s PHE 77 CO 0.02 -0.05 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.22 1cqg s GLN 78 N 0.23 1.84 -0.14 0.44 -0.21 -0.51 -1.62 119.66 119.68 1cqg s GLN 78 Ca -0.05 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.47 1cqg s GLN 78 Cb -0.14 -1.79 -0.03 0.00 1.00 0.00 0.00 33.01 32.05 1cqg s GLN 78 CO 0.04 0.49 0.01 -0.06 -2.12 0.00 0.00 175.29 173.64 1cqg s PHE 79 N -0.55 3.14 0.05 0.91 0.40 0.35 -0.31 117.98 121.97 1cqg s PHE 79 Ca 0.09 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1cqg s PHE 79 Cb -0.09 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1cqg s PHE 79 CO -0.01 0.18 -0.18 -0.06 0.70 0.00 0.00 175.22 175.85 1cqg s PHE 80 N -0.01 1.57 -0.10 0.36 0.40 0.65 -1.80 117.98 119.06 1cqg s PHE 80 Ca 0.03 -0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1cqg s PHE 80 Cb -0.13 -0.93 0.05 0.00 0.51 0.00 0.00 43.02 42.52 1cqg s PHE 80 CO 0.02 0.08 0.22 0.21 0.70 0.00 0.00 175.22 176.45 1cqg s LYS 81 N -1.23 0.18 -1.56 0.44 2.20 0.16 -1.59 119.74 118.33 1cqg s LYS 81 Ca 0.05 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1cqg s LYS 81 Cb -0.09 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1cqg s LYS 81 CO 0.02 -0.17 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 1cqg n LYS 82 N 4.29 -1.80 -1.60 4.03 5.02 -1.14 0.20 118.16 127.15 1cqg n LYS 82 Ca -0.24 0.88 -0.04 0.00 -2.02 0.00 0.00 58.31 56.88 1cqg n LYS 82 Cb 0.52 -5.46 -0.01 0.00 -0.02 0.00 0.00 35.03 30.07 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 -0.81 0.45 3.08 0.72 0.00 -1.26 -5.03 105.19 102.34 1cqg n GLY 83 Ca -0.20 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.29 1.39 -0.04 1.61 -1.52 0.13 -5.12 119.66 112.83 1cqg s GLN 84 Ca 0.00 -0.48 -0.30 0.00 -1.95 0.00 0.00 55.36 52.63 1cqg s GLN 84 Cb 0.00 -1.25 -0.03 0.00 -0.22 0.00 0.00 33.01 31.51 1cqg s GLN 84 CO 0.00 0.21 1.02 0.21 -0.25 0.00 0.00 175.29 176.47 1cqg s LYS 85 N 0.04 4.49 0.00 2.91 2.20 -1.26 0.35 119.74 128.47 1cqg s LYS 85 Ca -0.02 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1cqg s LYS 85 Cb -0.10 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1cqg s LYS 85 CO 0.01 -0.18 0.60 1.33 -0.36 0.00 0.00 175.35 176.75 1cqg n VAL 86 N 4.17 0.32 -3.64 4.02 0.24 -0.74 -4.95 118.33 117.74 1cqg n VAL 86 Ca 0.07 -0.56 -0.02 0.00 -2.04 0.00 0.00 64.34 61.79 1cqg n VAL 86 Cb 0.50 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.32 -0.08 -0.12 7.63 0.00 -1.24 -4.98 107.32 108.21 1cqg s GLY 87 Ca 0.00 2.29 -0.30 0.00 0.00 0.00 0.00 44.72 46.71 1cqg s GLY 87 CO 0.00 0.83 0.83 1.85 0.00 0.00 0.00 173.10 176.61 1cqg s GLU 88 N -1.63 0.82 0.02 2.90 -6.30 -1.26 -0.50 118.70 112.75 1cqg s GLU 88 Ca 0.11 0.28 -0.28 0.00 -2.50 0.00 0.00 54.97 52.58 1cqg s GLU 88 Cb -0.01 0.39 0.09 0.00 0.00 0.00 0.00 34.13 34.60 1cqg s GLU 88 CO -0.05 -0.24 0.79 -0.59 0.02 0.00 0.00 175.26 175.19 1cqg s PHE 89 N -0.96 -0.45 0.22 5.30 -0.12 -0.64 -5.01 117.98 116.32 1cqg s PHE 89 Ca -0.06 0.42 0.08 0.00 -0.05 0.00 0.00 56.93 57.33 1cqg s PHE 89 Cb -0.01 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1cqg s PHE 89 CO 0.05 -0.61 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.92 1cqg s SER 90 N -2.20 2.70 0.00 1.98 1.04 -1.26 -1.10 113.70 114.85 1cqg s SER 90 Ca 0.01 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1cqg s SER 90 Cb -0.01 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1cqg s SER 90 CO -0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1cqg n GLY 91 N -0.42 3.80 2.70 7.32 0.00 -1.11 -4.89 105.19 112.59 1cqg n GLY 91 Ca -0.07 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.54 5.32 -4.00 4.61 0.00 -1.26 -4.78 120.51 119.86 1cqg n ALA 92 Ca 0.00 -3.30 -0.31 0.00 0.00 0.00 0.00 53.44 49.84 1cqg n ALA 92 Cb 0.00 -3.42 -0.15 0.00 0.00 0.00 0.00 19.45 15.88 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 3.44 4.63 0.29 0.00 3.04 -1.26 -4.96 114.94 120.12 1cqg s ASN 93 Ca 0.53 -2.42 0.07 0.00 0.04 0.00 0.00 52.86 51.09 1cqg s ASN 93 Cb 0.14 -1.63 0.44 0.00 -1.54 0.00 0.00 41.25 38.66 1cqg s ASN 93 CO -0.02 -0.33 1.68 0.07 -3.04 0.00 0.00 177.10 175.45 1cqg h LYS 94 N 7.27 0.19 0.00 0.43 -0.00 -1.97 -2.83 116.57 119.65 1cqg h LYS 94 Ca -0.05 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.65 60.46 1cqg h LYS 94 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.21 1cqg h LYS 94 CO 0.57 0.62 -0.21 0.93 -0.00 0.00 0.00 179.45 181.36 1cqg h GLU 95 N 0.15 0.00 -0.54 0.07 4.39 -2.00 -2.02 114.58 114.63 1cqg h GLU 95 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1cqg h GLU 95 Cb 0.88 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1cqg h GLU 95 CO 0.07 0.21 0.30 -0.22 -1.16 0.00 0.00 179.01 178.21 1cqg h LYS 96 N 0.00 0.74 -1.00 2.33 3.64 -1.93 -1.25 116.57 119.10 1cqg h LYS 96 Ca -0.00 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 96 Cb 0.38 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1cqg h LYS 96 CO 0.03 0.54 0.66 -0.07 -2.27 0.00 0.00 179.45 178.34 1cqg h LEU 97 N 0.75 1.14 -0.55 5.20 3.38 -1.46 -2.36 115.31 121.41 1cqg h LEU 97 Ca 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1cqg h LEU 97 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1cqg h LEU 97 CO -0.03 0.82 0.28 -0.08 0.09 0.00 0.00 178.44 179.52 1cqg h GLU 98 N 1.34 0.78 -0.26 1.13 4.22 -1.27 -1.80 114.58 118.73 1cqg h GLU 98 Ca 0.37 -0.10 -0.09 0.00 0.08 0.00 0.00 59.36 59.62 1cqg h GLU 98 Cb -0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1cqg h GLU 98 CO -0.08 0.62 -0.17 0.00 -2.18 0.00 0.00 179.01 177.20 1cqg h ALA 99 N 1.12 0.37 -0.61 2.92 0.00 -1.26 -2.53 119.26 119.27 1cqg h ALA 99 Ca 0.19 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1cqg h ALA 99 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1cqg h ALA 99 CO -0.03 0.29 0.01 1.15 0.00 0.00 0.00 179.25 180.67 1cqg h THR 100 N 0.30 1.27 0.01 0.00 2.02 -1.37 0.15 112.91 115.29 1cqg h THR 100 Ca 0.05 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1cqg h THR 100 Cb 0.71 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1cqg h THR 100 CO 0.05 0.42 -0.01 0.40 0.37 0.00 0.00 175.52 176.75 1cqg h ILE 101 N 0.97 1.00 -0.65 3.11 2.04 -1.33 0.17 117.51 122.82 1cqg h ILE 101 Ca 0.17 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1cqg h ILE 101 Cb 0.55 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1cqg h ILE 101 CO 0.03 0.01 0.43 -1.13 0.00 0.00 0.00 178.15 177.49 1cqg h ASN 102 N -0.03 0.74 -0.51 1.72 -0.73 -1.30 1.11 115.58 116.57 1cqg h ASN 102 Ca -0.00 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.03 1cqg h ASN 102 Cb 0.03 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 1cqg h ASN 102 CO 0.00 0.53 -0.17 -0.08 -0.37 0.00 0.00 177.43 177.35 1cqg h GLU 103 N 0.87 1.02 -0.01 6.67 4.22 -0.03 -3.13 114.58 124.19 1cqg h GLU 103 Ca 0.24 -0.41 0.00 0.00 0.08 0.00 0.00 59.36 59.27 1cqg h GLU 103 Cb -0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1cqg h GLU 103 CO -0.05 1.09 -0.40 1.28 -2.18 0.00 0.00 179.01 178.75 1cqg n LEU 104 N -4.12 1.84 0.00 1.64 4.77 0.50 -5.08 117.00 116.54 1cqg n LEU 104 Ca 0.01 -0.65 0.05 0.00 -0.03 0.00 0.00 56.01 55.39 1cqg n LEU 104 Cb 0.43 -0.03 0.31 0.00 -2.33 0.00 0.00 43.42 41.81 1cqg n LEU 104 CO 0.46 0.34 0.53 0.55 -1.33 0.00 0.00 177.39 177.94