#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 5.28 -0.08 1.12 1.01 -1.26 -4.45 120.40 122.02 1cqg s VAL 2 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.60 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 -0.04 -0.09 -0.75 0.00 0.00 0.00 175.10 174.22 1cqg s LYS 3 N -2.98 1.46 -0.24 2.72 2.47 -1.15 -5.06 119.74 116.96 1cqg s LYS 3 Ca 0.37 -0.29 -0.12 0.00 -1.56 0.00 0.00 55.97 54.37 1cqg s LYS 3 Cb -0.12 -1.37 -0.05 0.00 -1.46 0.00 0.00 37.83 34.84 1cqg s LYS 3 CO 0.28 -0.11 0.24 -1.14 0.16 0.00 0.00 175.35 174.79 1cqg s GLN 4 N 1.12 4.08 -0.37 4.03 0.74 -1.26 -2.30 119.66 125.70 1cqg s GLN 4 Ca -0.06 -0.13 -0.13 0.00 0.05 0.00 0.00 55.36 55.09 1cqg s GLN 4 Cb -0.14 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.41 1cqg s GLN 4 CO -0.01 -0.02 0.25 0.42 -0.55 0.00 0.00 175.29 175.37 1cqg s ILE 5 N 1.29 5.09 -2.74 -2.34 -1.09 -1.05 -4.91 121.20 115.45 1cqg s ILE 5 Ca 0.11 -0.50 0.26 0.00 -2.23 0.00 0.00 60.65 58.29 1cqg s ILE 5 Cb -0.14 -3.73 0.34 0.00 -1.58 0.00 0.00 42.46 37.35 1cqg s ILE 5 CO 0.07 -0.14 1.47 -0.62 -1.23 0.00 0.00 174.94 174.48 1cqg n GLU 6 N 5.10 1.99 -3.56 2.79 4.71 -1.26 -4.42 120.64 125.99 1cqg n GLU 6 Ca -0.12 -1.47 -0.11 0.00 -0.01 0.00 0.00 57.16 55.45 1cqg n GLU 6 Cb 0.48 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 29.40 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1cqg s SER 7 N -2.02 -0.37 0.37 1.62 1.04 -1.26 -4.42 113.70 108.66 1cqg s SER 7 Ca 0.32 -0.15 0.09 0.00 0.48 0.00 0.00 55.95 56.69 1cqg s SER 7 Cb 0.20 0.52 0.72 0.00 0.10 0.00 0.00 66.02 67.56 1cqg s SER 7 CO 0.33 -0.87 1.87 0.50 0.98 0.00 0.00 173.24 176.04 1cqg h LYS 8 N 2.30 0.21 -0.15 4.02 3.64 -1.91 -1.86 116.57 122.83 1cqg h LYS 8 Ca -0.34 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1cqg h LYS 8 Cb 1.27 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1cqg h LYS 8 CO 0.43 0.42 0.01 1.15 -2.27 0.00 0.00 179.45 179.19 1cqg h THR 9 N 0.20 0.91 -0.01 1.00 2.02 -1.98 -0.75 112.91 114.30 1cqg h THR 9 Ca 0.04 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.11 1cqg h THR 9 Cb 0.48 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1cqg h THR 9 CO 0.03 0.01 -0.41 0.00 0.37 0.00 0.00 175.52 175.53 1cqg h ALA 10 N 1.12 1.30 -0.68 6.16 0.00 -1.90 -2.74 119.26 122.52 1cqg h ALA 10 Ca 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1cqg h ALA 10 Cb 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1cqg h ALA 10 CO -0.10 0.52 0.42 0.35 0.00 0.00 0.00 179.25 180.43 1cqg h PHE 11 N 0.02 0.78 -0.44 0.00 3.57 -0.34 0.43 116.94 120.96 1cqg h PHE 11 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 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 0.44 0.11 1.96 -2.23 0.00 0.00 178.31 178.59 1cqg h GLN 12 N 0.81 0.71 -0.45 1.11 1.08 -0.98 -1.39 115.11 116.00 1cqg h GLN 12 Ca 0.27 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 1cqg h GLN 12 Cb 0.03 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1cqg h GLN 12 CO -0.11 0.71 0.02 0.93 -0.95 0.00 0.00 178.83 179.43 1cqg h GLU 13 N 0.58 0.72 -0.39 1.46 4.39 -1.10 -2.08 114.58 118.17 1cqg h GLU 13 Ca 0.14 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1cqg h GLU 13 Cb 0.32 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1cqg h GLU 13 CO 0.00 0.72 -0.15 0.00 -1.16 0.00 0.00 179.01 178.42 1cqg h ALA 14 N 1.34 0.54 -0.83 3.43 0.00 0.16 -0.60 119.26 123.30 1cqg h ALA 14 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 14 Cb 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1cqg h ALA 14 CO 0.01 0.45 0.48 -0.07 0.00 0.00 0.00 179.25 180.13 1cqg h LEU 15 N 0.58 1.01 -0.80 0.00 3.38 -0.96 -1.53 115.31 116.99 1cqg h LEU 15 Ca 0.09 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1cqg h LEU 15 Cb 0.69 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1cqg h LEU 15 CO 0.05 0.79 -0.33 -0.78 0.09 0.00 0.00 178.44 178.26 1cqg h ASP 16 N 1.14 0.54 -0.43 -0.43 1.82 -1.19 -3.07 116.42 114.81 1cqg h ASP 16 Ca 0.29 -0.21 -0.14 0.00 -0.39 0.00 0.00 57.03 56.58 1cqg h ASP 16 Cb -0.02 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1cqg h ASP 16 CO -0.05 0.84 -0.26 0.00 -1.61 0.00 0.00 179.24 178.16 1cqg h ALA 17 N 1.20 0.69 -0.44 -0.78 0.00 -0.41 -2.89 119.26 116.63 1cqg h ALA 17 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1cqg h ALA 17 Cb 0.79 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1cqg h ALA 17 CO 0.06 0.67 0.24 0.00 0.00 0.00 0.00 179.25 180.23 1cqg h ALA 18 N 0.88 1.60 -0.61 0.00 0.00 -1.23 -3.47 119.26 116.43 1cqg h ALA 18 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cqg h ALA 18 Cb 0.83 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1cqg h ALA 18 CO 0.07 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1cqg n GLY 19 N -1.34 3.00 0.44 0.00 0.00 -1.09 -2.05 105.19 104.14 1cqg n GLY 19 Ca 0.03 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 7.52 1.45 -4.80 1.61 8.00 -1.26 -3.02 116.55 126.05 1cqg n ASP 20 Ca 0.00 -1.35 -0.34 0.00 0.71 0.00 0.00 54.79 53.81 1cqg n ASP 20 Cb 0.00 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.15 3.81 0.93 -1.24 1.02 -0.87 -4.75 119.74 116.48 1cqg s LYS 21 Ca 0.33 1.36 -0.10 0.00 0.02 0.00 0.00 55.97 57.58 1cqg s LYS 21 Cb 0.20 -2.10 0.13 0.00 -0.52 0.00 0.00 37.83 35.55 1cqg s LYS 21 CO 0.39 -0.43 1.03 1.28 -0.92 0.00 0.00 175.35 176.71 1cqg n LEU 22 N -0.96 2.75 -3.47 3.17 4.77 -1.26 -4.61 117.00 117.40 1cqg n LEU 22 Ca 0.09 0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 1cqg n LEU 22 Cb 0.52 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.07 1cqg n LEU 22 CO 0.40 -2.40 -0.13 -0.69 -1.33 0.00 0.00 177.39 173.24 1cqg s VAL 23 N -2.60 -0.46 -0.03 4.08 1.01 -0.83 -2.34 120.40 119.23 1cqg s VAL 23 Ca 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1cqg s VAL 23 Cb -0.23 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1cqg s VAL 23 CO 0.60 -0.12 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 1cqg s VAL 24 N 2.43 4.85 -0.13 2.92 1.01 -0.77 -0.44 120.40 130.28 1cqg s VAL 24 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1cqg s VAL 24 Cb -0.15 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1cqg s VAL 24 CO -0.13 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.55 1cqg s VAL 25 N -1.15 1.48 -0.31 2.92 1.01 0.98 -0.49 120.40 124.83 1cqg s VAL 25 Ca 0.21 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1cqg s VAL 25 Cb -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1cqg s VAL 25 CO 0.12 0.44 0.24 -0.62 0.00 0.00 0.00 175.10 175.28 1cqg s ASP 26 N 1.32 6.07 -0.27 3.32 2.15 -0.13 -1.07 116.67 128.05 1cqg s ASP 26 Ca 0.01 -0.21 0.05 0.00 0.43 0.00 0.00 52.55 52.83 1cqg s ASP 26 Cb -0.14 -2.14 0.51 0.00 -0.30 0.00 0.00 42.92 40.86 1cqg s ASP 26 CO -0.07 -0.17 1.56 0.49 -0.17 0.00 0.00 175.17 176.81 1cqg n PHE 27 N 5.12 1.93 -1.77 -5.34 3.72 0.13 0.21 117.46 121.47 1cqg n PHE 27 Ca -0.13 -1.12 -0.39 0.00 -0.05 0.00 0.00 57.45 55.76 1cqg n PHE 27 Cb 0.51 -0.62 0.03 0.00 -0.94 0.00 0.00 39.48 38.46 1cqg n PHE 27 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1cqg s SER 28 N -0.60 5.53 -0.13 4.37 0.01 -1.24 -4.38 113.70 117.25 1cqg s SER 28 Ca 0.40 2.86 -0.25 0.00 1.31 0.00 0.00 55.95 60.27 1cqg s SER 28 Cb 0.32 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1cqg s SER 28 CO 0.09 -1.41 0.81 0.00 0.41 0.00 0.00 173.24 173.15 1cqg s ALA 29 N -1.25 3.45 0.35 1.44 0.00 -1.26 -4.22 121.76 120.27 1cqg s ALA 29 Ca 0.67 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1cqg s ALA 29 Cb -0.42 -3.18 0.65 0.00 0.00 0.00 0.00 23.12 20.17 1cqg s ALA 29 CO 0.52 -0.50 1.84 0.00 0.00 0.00 0.00 175.76 177.63 1cqg h THR 30 N 5.07 1.22 0.00 0.00 1.03 -1.92 -1.97 112.91 116.34 1cqg h THR 30 Ca -0.33 -1.00 -0.04 0.00 -0.01 0.00 0.00 66.41 65.04 1cqg h THR 30 Cb 1.15 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 69.52 1cqg h THR 30 CO 0.81 0.31 -0.19 4.11 -0.01 0.00 0.00 175.52 180.55 1cqg h TRP 31 N 0.28 0.00 -3.21 0.00 5.08 -2.02 -3.43 115.95 112.65 1cqg h TRP 31 Ca 0.05 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.45 1cqg h TRP 31 Cb 0.49 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.60 1cqg h TRP 31 CO 0.01 0.19 0.60 0.00 -1.28 0.00 0.00 178.44 177.97 1cqg h GLY 33 N 8.56 -0.84 1.99 0.00 0.00 -1.84 -1.21 103.07 109.73 1cqg h GLY 33 Ca -0.27 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1cqg h GLY 33 CO 0.89 -0.31 0.00 -0.56 0.00 0.00 0.00 176.54 176.57 1cqg h PRO 34 N -0.90 0.00 0.07 4.80 0.13 -1.94 0.73 132.00 134.88 1cqg h PRO 34 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1cqg h PRO 34 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1cqg h PRO 34 CO 0.14 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 177.87 1cqg h ALA 35 N 2.00 -0.10 -0.93 -0.56 0.00 -1.81 -3.03 119.26 114.83 1cqg h ALA 35 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1cqg h ALA 35 Cb 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1cqg h ALA 35 CO -0.00 -0.12 0.60 -0.22 0.00 0.00 0.00 179.25 179.50 1cqg h LYS 36 N -0.96 1.23 -0.02 0.00 3.64 -1.13 -1.51 116.57 117.82 1cqg h LYS 36 Ca -0.01 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1cqg h LYS 36 Cb 0.50 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1cqg h LYS 36 CO 0.02 0.83 0.02 1.98 -2.27 0.00 0.00 179.45 180.02 1cqg h MET 37 N 1.26 0.00 -0.00 1.90 4.05 -0.94 0.61 114.93 121.81 1cqg h MET 37 Ca 0.34 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1cqg h MET 37 Cb -0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1cqg h MET 37 CO -0.07 0.00 -0.01 -0.89 0.23 0.00 0.00 176.91 176.17 1cqg n ILE 38 N -4.37 0.00 0.23 1.77 5.41 -0.57 -4.02 119.36 117.81 1cqg n ILE 38 Ca -0.02 -0.01 0.08 0.00 1.00 0.00 0.00 62.75 63.79 1cqg n ILE 38 Cb 0.11 -0.43 0.57 0.00 -0.71 0.00 0.00 39.64 39.18 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 0.11 0.00 -0.96 0.38 2.10 -0.84 -3.24 116.57 114.11 1cqg h LYS 39 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.75 1cqg h LYS 39 Cb 0.21 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.47 1cqg h LYS 39 CO 0.00 0.19 0.62 -1.35 -2.00 0.00 0.00 179.45 176.91 1cqg h PRO 40 N 0.00 0.98 -0.22 0.07 0.11 -1.79 0.44 132.00 131.61 1cqg h PRO 40 Ca -0.00 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1cqg h PRO 40 Cb 0.41 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1cqg h PRO 40 CO 0.03 0.65 -0.16 0.74 -0.21 0.00 0.00 178.00 179.05 1cqg h PHE 41 N 1.01 0.57 0.27 0.65 -1.00 -1.89 1.16 116.94 117.71 1cqg h PHE 41 Ca 0.45 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 1cqg h PHE 41 Cb 0.36 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1cqg h PHE 41 CO -0.00 0.80 -0.13 0.35 -1.61 0.00 0.00 178.31 177.72 1cqg h PHE 42 N 0.18 -0.33 -0.47 -0.55 3.57 -1.51 -0.78 116.94 117.04 1cqg h PHE 42 Ca 0.04 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1cqg h PHE 42 Cb 0.68 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1cqg h PHE 42 CO 0.07 -0.16 -0.21 1.25 -2.23 0.00 0.00 178.31 177.03 1cqg h HIS 43 N -0.43 1.13 -0.81 0.41 2.76 -0.13 -3.15 115.15 114.93 1cqg h HIS 43 Ca -0.04 -0.27 -0.04 0.00 -2.20 0.00 0.00 60.37 57.82 1cqg h HIS 43 Cb 0.32 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 1cqg h HIS 43 CO -0.04 1.10 0.37 0.77 -1.30 0.00 0.00 177.93 178.83 1cqg h SER 44 N 0.83 1.08 0.38 3.26 0.02 0.15 -2.31 113.55 116.96 1cqg h SER 44 Ca 0.11 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1cqg h SER 44 Cb 0.79 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1cqg h SER 44 CO 0.07 0.92 0.00 -0.07 -1.14 0.00 0.00 176.83 176.61 1cqg h LEU 45 N 1.16 0.00 -1.16 5.07 3.38 -1.10 -2.57 115.31 120.10 1cqg h LEU 45 Ca 0.28 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.36 1cqg h LEU 45 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1cqg h LEU 45 CO -0.03 0.00 0.59 0.28 0.09 0.00 0.00 178.44 179.37 1cqg h SER 46 N 0.00 0.81 1.48 -0.43 0.02 -1.45 0.30 113.55 114.27 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 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1cqg h SER 46 CO 0.00 0.45 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.53 1cqg h GLU 47 N 0.88 0.00 0.08 3.45 4.39 -1.64 -2.74 114.58 119.00 1cqg h GLU 47 Ca 0.45 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.89 1cqg h GLU 47 Cb 0.50 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1cqg h GLU 47 CO -0.21 0.00 -1.11 -0.22 -1.16 0.00 0.00 179.01 176.31 1cqg h LYS 48 N 0.00 0.37 -2.18 2.33 3.64 -0.58 -3.34 116.57 116.81 1cqg h LYS 48 Ca 0.00 -0.50 -0.59 0.00 -1.27 0.00 0.00 60.65 58.29 1cqg h LYS 48 Cb 0.88 0.17 -0.42 0.00 -0.41 0.00 0.00 32.23 32.45 1cqg h LYS 48 CO 0.00 1.19 -0.66 0.66 -2.27 0.00 0.00 179.45 178.36 1cqg n TYR 49 N -3.66 3.25 0.32 1.91 4.01 0.29 -4.85 117.16 118.43 1cqg n TYR 49 Ca -0.08 -4.07 0.04 0.00 -0.16 0.00 0.00 57.90 53.63 1cqg n TYR 49 Cb 0.94 -0.52 0.19 0.00 -0.31 0.00 0.00 39.34 39.64 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 0.71 0.00 -0.55 7.72 3.41 -1.03 -0.43 113.62 123.44 1cqg n SER 50 Ca 0.29 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.45 1cqg n SER 50 Cb 0.42 -0.48 0.29 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.48 1.63 -4.21 4.04 5.15 -1.26 -4.76 115.26 114.37 1cqg n ASN 51 Ca 0.02 -1.81 -0.23 0.00 -0.60 0.00 0.00 54.58 51.96 1cqg n ASN 51 Cb 0.10 -0.15 -0.13 0.00 -0.53 0.00 0.00 39.78 39.07 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 -1.70 1.44 -0.25 3.44 1.01 0.43 -4.61 120.40 120.16 1cqg s VAL 52 Ca 0.28 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1cqg s VAL 52 Cb 0.15 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1cqg s VAL 52 CO 0.21 0.06 0.17 -0.63 0.00 0.00 0.00 175.10 174.91 1cqg s ILE 53 N -0.91 5.35 -0.21 2.22 -1.09 -0.99 -4.83 121.20 120.74 1cqg s ILE 53 Ca 0.05 0.18 -0.07 0.00 -2.23 0.00 0.00 60.65 58.58 1cqg s ILE 53 Cb -0.09 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1cqg s ILE 53 CO 0.02 0.32 0.05 -0.36 -1.23 0.00 0.00 174.94 173.74 1cqg s PHE 54 N 1.22 3.13 -0.05 3.97 0.40 -1.26 -1.84 117.98 123.56 1cqg s PHE 54 Ca 0.07 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1cqg s PHE 54 Cb -0.14 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1cqg s PHE 54 CO 0.06 -0.10 -0.06 -0.51 0.70 0.00 0.00 175.22 175.30 1cqg s LEU 55 N 0.92 3.20 -0.13 -0.37 1.02 0.35 -2.94 118.68 120.72 1cqg s LEU 55 Ca 0.03 -0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.12 1cqg s LEU 55 Cb -0.14 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.31 1cqg s LEU 55 CO 0.02 0.34 -0.07 -0.70 0.02 0.00 0.00 176.35 175.96 1cqg s GLU 56 N -0.99 3.43 -0.03 1.70 2.12 -0.97 -0.96 118.70 123.00 1cqg s GLU 56 Ca 0.14 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.94 1cqg s GLU 56 Cb -0.11 -2.77 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 1cqg s GLU 56 CO 0.03 0.31 -0.17 0.08 -0.54 0.00 0.00 175.26 174.97 1cqg s VAL 57 N 0.16 1.38 -0.29 3.70 1.01 0.13 -2.53 120.40 123.96 1cqg s VAL 57 Ca -0.04 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1cqg s VAL 57 Cb -0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1cqg s VAL 57 CO 0.04 0.40 0.24 -0.62 0.00 0.00 0.00 175.10 175.15 1cqg s ASP 58 N -0.17 6.08 0.50 3.32 -1.08 -1.26 -3.67 116.67 120.39 1cqg s ASP 58 Ca 0.01 -0.01 0.33 0.00 -0.52 0.00 0.00 52.55 52.36 1cqg s ASP 58 Cb -0.09 -2.14 1.46 0.00 -1.46 0.00 0.00 42.92 40.69 1cqg s ASP 58 CO 0.01 -0.11 1.98 -0.37 0.52 0.00 0.00 175.17 177.20 1cqg h VAL 59 N 5.40 0.00 0.08 1.11 -1.51 -1.76 1.03 116.25 120.60 1cqg h VAL 59 Ca -0.34 -0.35 -0.36 0.00 -1.23 0.00 0.00 66.70 64.42 1cqg h VAL 59 Cb 1.18 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.58 1cqg h VAL 59 CO 0.58 0.00 -2.06 0.47 -1.23 0.00 0.00 177.57 175.34 1cqg n ASP 60 N -2.88 2.07 0.03 4.19 9.92 -1.26 -2.77 116.55 125.84 1cqg n ASP 60 Ca 0.00 0.16 0.11 0.00 -0.53 0.00 0.00 54.79 54.53 1cqg n ASP 60 Cb 0.24 -0.78 -0.09 0.00 -0.64 0.00 0.00 41.12 39.85 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 -1.88 -2.24 9.92 -1.18 -4.13 116.55 113.87 1cqg n ASP 61 Ca -0.36 0.01 -0.20 0.00 -0.53 0.00 0.00 54.79 53.71 1cqg n ASP 61 Cb 1.00 1.36 0.04 0.00 -0.64 0.00 0.00 41.12 42.88 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 -2.14 4.82 0.31 2.24 0.00 0.36 -4.79 120.51 121.30 1cqg n ALA 62 Ca -0.02 -3.71 0.18 0.00 0.00 0.00 0.00 53.44 49.89 1cqg n ALA 62 Cb 0.53 -0.34 1.01 0.00 0.00 0.00 0.00 19.45 20.65 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 2.05 0.00 -0.57 0.00 3.07 -1.41 -1.29 115.11 116.97 1cqg h GLN 63 Ca 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.99 1cqg h GLN 63 Cb 1.48 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.01 1cqg h GLN 63 CO 0.66 0.01 0.08 0.38 0.09 0.00 0.00 178.83 180.05 1cqg h ASP 64 N 0.00 0.88 -0.19 0.06 3.04 -1.86 0.34 116.42 118.70 1cqg h ASP 64 Ca -0.00 -0.20 -0.11 0.00 -3.24 0.00 0.00 57.03 53.49 1cqg h ASP 64 Cb 0.02 -0.23 -0.00 0.00 -1.04 0.00 0.00 39.33 38.08 1cqg h ASP 64 CO 0.00 0.90 -0.30 0.58 -2.04 0.00 0.00 179.24 178.39 1cqg h VAL 65 N 0.87 1.34 -0.30 4.15 2.07 -1.57 -2.93 116.25 119.88 1cqg h VAL 65 Ca 0.18 -1.52 -0.18 0.00 0.82 0.00 0.00 66.70 66.00 1cqg h VAL 65 Cb 0.41 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1cqg h VAL 65 CO 0.01 0.46 -0.52 0.00 0.02 0.00 0.00 177.57 177.55 1cqg h ALA 66 N 0.60 0.50 -0.26 1.67 0.00 -1.31 -2.95 119.26 117.51 1cqg h ALA 66 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1cqg h ALA 66 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1cqg h ALA 66 CO 0.07 0.68 0.17 0.66 0.00 0.00 0.00 179.25 180.83 1cqg h SER 67 N 0.68 0.29 -0.77 0.00 4.64 -0.35 -0.03 113.55 118.02 1cqg h SER 67 Ca 0.02 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1cqg h SER 67 Cb 1.12 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 1cqg h SER 67 CO 0.12 0.21 0.37 -0.08 -0.87 0.00 0.00 176.83 176.58 1cqg h GLU 68 N 0.35 1.12 -0.02 4.77 4.81 -1.34 -2.03 114.58 122.24 1cqg h GLU 68 Ca 0.10 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1cqg h GLU 68 Cb -0.04 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1cqg h GLU 68 CO -0.02 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 179.12 1cqg n ALA 69 N -2.43 2.57 -3.73 2.92 0.00 -0.23 -4.95 120.51 114.66 1cqg n ALA 69 Ca 0.08 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 1cqg n ALA 69 Cb 0.14 -1.15 0.03 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 0.21 -4.72 -1.94 0.00 4.71 -0.19 -4.85 120.64 113.85 1cqg n GLU 70 Ca 0.19 0.59 -0.42 0.00 -0.01 0.00 0.00 57.16 57.52 1cqg n GLU 70 Cb 0.36 -5.10 -0.02 0.00 -1.01 0.00 0.00 31.44 25.66 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 -3.70 2.55 -0.77 2.62 1.01 -1.15 -4.88 120.40 116.07 1cqg s VAL 71 Ca 0.00 0.43 0.18 0.00 0.00 0.00 0.00 61.98 62.59 1cqg s VAL 71 Cb -0.00 -3.28 -0.20 0.00 0.00 0.00 0.00 36.38 32.90 1cqg s VAL 71 CO 0.82 0.06 0.72 0.29 0.00 0.00 0.00 175.10 176.99 1cqg n LYS 72 N 2.93 1.07 -3.48 2.72 4.76 -1.26 -5.01 118.16 119.89 1cqg n LYS 72 Ca 0.10 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.40 1cqg n LYS 72 Cb 0.39 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 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 -2.73 -1.74 0.13 7.82 0.00 -1.26 -5.17 121.76 118.81 1cqg s ALA 73 Ca 0.06 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.00 1cqg s ALA 73 Cb 0.13 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1cqg s ALA 73 CO 0.73 -0.62 -0.15 0.95 0.00 0.00 0.00 175.76 176.68 1cqg s THR 74 N -2.80 1.43 0.29 0.00 -4.23 -1.26 -4.07 115.64 105.00 1cqg s THR 74 Ca -0.00 -1.78 -0.29 0.00 -1.18 0.00 0.00 61.69 58.44 1cqg s THR 74 Cb -0.01 -1.62 -0.09 0.00 1.34 0.00 0.00 72.50 72.12 1cqg s THR 74 CO -0.06 -0.41 1.06 -2.16 -0.54 0.00 0.00 174.62 172.51 1cqg s PRO 75 N -2.76 4.62 -0.03 3.99 0.04 -1.26 -4.90 135.00 134.70 1cqg s PRO 75 Ca 0.11 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1cqg s PRO 75 Cb -0.05 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 1cqg s PRO 75 CO 0.04 0.23 -0.18 0.99 0.04 0.00 0.00 177.00 178.12 1cqg s THR 76 N -1.24 1.43 -0.11 1.26 2.01 -1.26 -2.78 115.64 114.95 1cqg s THR 76 Ca 0.46 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1cqg s THR 76 Cb -0.29 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1cqg s THR 76 CO 0.37 0.41 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.19 1cqg s PHE 77 N -0.16 2.72 0.04 4.92 0.08 -0.70 -0.69 117.98 124.19 1cqg s PHE 77 Ca 0.01 -0.71 0.08 0.00 0.12 0.00 0.00 56.93 56.42 1cqg s PHE 77 Cb -0.10 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1cqg s PHE 77 CO 0.01 -0.23 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.03 1cqg s GLN 78 N 0.23 1.46 -0.14 0.44 -0.21 -0.24 -2.18 119.66 119.02 1cqg s GLN 78 Ca -0.11 -0.96 -0.03 0.00 0.02 0.00 0.00 55.36 54.28 1cqg s GLN 78 Cb -0.16 -1.58 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 1cqg s GLN 78 CO 0.06 0.40 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.55 1cqg s PHE 79 N -0.79 3.06 0.02 0.91 0.40 -0.61 -0.02 117.98 120.96 1cqg s PHE 79 Ca 0.08 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 1cqg s PHE 79 Cb -0.09 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1cqg s PHE 79 CO 0.02 0.10 -0.18 -0.06 0.70 0.00 0.00 175.22 175.80 1cqg s PHE 80 N 0.05 1.56 -0.11 0.36 0.40 0.41 -1.53 117.98 119.12 1cqg s PHE 80 Ca 0.01 -0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1cqg s PHE 80 Cb -0.13 -0.95 0.05 0.00 0.51 0.00 0.00 43.02 42.50 1cqg s PHE 80 CO 0.02 0.04 0.25 0.21 0.70 0.00 0.00 175.22 176.44 1cqg s LYS 81 N -0.89 0.20 -1.80 0.44 2.20 0.18 -1.97 119.74 118.09 1cqg s LYS 81 Ca 0.06 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1cqg s LYS 81 Cb -0.08 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 1cqg s LYS 81 CO 0.01 -0.18 0.00 1.63 -0.36 0.00 0.00 175.35 176.44 1cqg n LYS 82 N 4.42 -1.68 -1.11 4.03 5.02 -1.17 -0.14 118.16 127.53 1cqg n LYS 82 Ca -0.22 1.02 -0.04 0.00 -2.02 0.00 0.00 58.31 57.05 1cqg n LYS 82 Cb 0.52 -5.63 -0.02 0.00 -0.02 0.00 0.00 35.03 29.89 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 -0.89 0.67 3.23 0.72 0.00 -1.26 -5.02 105.19 102.63 1cqg n GLY 83 Ca -0.23 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.14 1.73 -0.15 1.61 -1.52 0.80 -5.11 119.66 114.87 1cqg s GLN 84 Ca 0.00 -0.76 -0.29 0.00 -1.95 0.00 0.00 55.36 52.36 1cqg s GLN 84 Cb 0.00 -1.66 -0.00 0.00 -0.22 0.00 0.00 33.01 31.12 1cqg s GLN 84 CO 0.00 0.45 1.02 0.21 -0.25 0.00 0.00 175.29 176.72 1cqg s LYS 85 N -0.49 4.36 0.00 2.91 2.20 -1.26 0.47 119.74 127.93 1cqg s LYS 85 Ca 0.08 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1cqg s LYS 85 Cb -0.08 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1cqg s LYS 85 CO -0.01 -0.44 0.89 1.33 -0.36 0.00 0.00 175.35 176.77 1cqg n VAL 86 N 4.85 0.79 -3.61 4.02 0.24 -0.58 -4.95 118.33 119.08 1cqg n VAL 86 Ca 0.10 -0.82 -0.03 0.00 -2.04 0.00 0.00 64.34 61.55 1cqg n VAL 86 Cb 0.48 0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.79 -0.26 -0.19 7.63 0.00 -1.24 -4.96 107.32 107.52 1cqg s GLY 87 Ca 0.00 1.71 -0.29 0.00 0.00 0.00 0.00 44.72 46.14 1cqg s GLY 87 CO 0.00 0.57 1.02 1.85 0.00 0.00 0.00 173.10 176.53 1cqg s GLU 88 N -2.26 0.56 -0.07 2.90 2.56 -1.26 -1.57 118.70 119.56 1cqg s GLU 88 Ca 0.10 0.22 -0.30 0.00 0.00 0.00 0.00 54.97 55.00 1cqg s GLU 88 Cb -0.01 0.26 0.11 0.00 2.00 0.00 0.00 34.13 36.50 1cqg s GLU 88 CO -0.04 -0.16 0.96 -0.59 -0.56 0.00 0.00 175.26 174.87 1cqg s PHE 89 N -0.84 -0.32 0.18 5.30 -0.12 -0.93 -5.03 117.98 116.22 1cqg s PHE 89 Ca -0.01 0.31 0.06 0.00 -0.05 0.00 0.00 56.93 57.25 1cqg s PHE 89 Cb -0.01 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 1cqg s PHE 89 CO -0.00 -0.45 -0.13 -1.54 -0.05 0.00 0.00 175.22 173.05 1cqg s SER 90 N -2.08 2.28 0.00 1.98 1.04 -1.26 -1.72 113.70 113.94 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 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1cqg s SER 90 CO -0.06 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1cqg n GLY 91 N -0.31 3.73 2.74 7.32 0.00 -1.12 -4.90 105.19 112.65 1cqg n GLY 91 Ca -0.09 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.63 5.29 -3.97 4.61 0.00 -1.26 -4.80 120.51 119.75 1cqg n ALA 92 Ca 0.00 -3.55 -0.30 0.00 0.00 0.00 0.00 53.44 49.59 1cqg n ALA 92 Cb 0.00 -3.50 -0.14 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 3.47 4.50 0.29 0.00 3.04 -1.26 -4.97 114.94 120.02 1cqg s ASN 93 Ca 0.52 -2.53 0.07 0.00 0.04 0.00 0.00 52.86 50.96 1cqg s ASN 93 Cb 0.14 -1.58 0.44 0.00 -1.54 0.00 0.00 41.25 38.71 1cqg s ASN 93 CO -0.03 -0.31 1.68 0.07 -3.04 0.00 0.00 177.10 175.47 1cqg h LYS 94 N 7.11 0.21 0.00 0.43 -0.00 -1.95 -2.87 116.57 119.50 1cqg h LYS 94 Ca -0.06 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.65 60.43 1cqg h LYS 94 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.18 1cqg h LYS 94 CO 0.59 0.62 -0.24 0.93 -0.00 0.00 0.00 179.45 181.36 1cqg h GLU 95 N 0.17 0.00 -0.54 0.07 4.39 -2.00 -2.27 114.58 114.41 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 0.86 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1cqg h GLU 95 CO 0.07 0.24 0.34 -0.22 -1.16 0.00 0.00 179.01 178.27 1cqg h LYS 96 N 0.00 0.72 -1.00 2.33 3.64 -1.93 -1.06 116.57 119.27 1cqg h LYS 96 Ca -0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 96 Cb 0.43 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1cqg h LYS 96 CO 0.03 0.49 0.66 -0.07 -2.27 0.00 0.00 179.45 178.29 1cqg h LEU 97 N 0.74 1.11 -0.54 5.20 3.38 -1.51 -2.14 115.31 121.55 1cqg h LEU 97 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1cqg h LEU 97 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1cqg h LEU 97 CO -0.04 0.78 0.26 -0.08 0.09 0.00 0.00 178.44 179.45 1cqg h GLU 98 N 1.30 0.78 -0.29 1.13 4.57 -1.27 -1.87 114.58 118.94 1cqg h GLU 98 Ca 0.38 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1cqg h GLU 98 Cb -0.07 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1cqg h GLU 98 CO -0.10 0.64 -0.23 0.00 -1.18 0.00 0.00 179.01 178.14 1cqg h ALA 99 N 1.10 0.42 -0.69 2.92 0.00 -1.29 -2.59 119.26 119.12 1cqg h ALA 99 Ca 0.19 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1cqg h ALA 99 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1cqg h ALA 99 CO -0.02 0.38 0.13 1.15 0.00 0.00 0.00 179.25 180.89 1cqg h THR 100 N 0.40 1.26 -0.07 0.00 2.02 -1.31 0.30 112.91 115.52 1cqg h THR 100 Ca 0.05 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1cqg h THR 100 Cb 0.78 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1cqg h THR 100 CO 0.06 0.39 0.04 0.40 0.37 0.00 0.00 175.52 176.78 1cqg h ILE 101 N 1.06 1.07 -0.47 3.11 2.04 -1.33 0.16 117.51 123.14 1cqg h ILE 101 Ca 0.21 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1cqg h ILE 101 Cb 0.42 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1cqg h ILE 101 CO 0.01 0.06 0.28 -1.13 0.00 0.00 0.00 178.15 177.37 1cqg h ASN 102 N 0.04 0.56 -0.51 1.72 -0.73 -1.28 1.06 115.58 116.45 1cqg h ASN 102 Ca 0.02 -0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1cqg h ASN 102 Cb 0.06 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1cqg h ASN 102 CO -0.00 0.44 -0.18 -0.08 -0.37 0.00 0.00 177.43 177.23 1cqg h GLU 103 N 0.65 1.02 -0.02 6.67 4.22 -0.03 -3.20 114.58 123.90 1cqg h GLU 103 Ca 0.17 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1cqg h GLU 103 Cb -0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1cqg h GLU 103 CO -0.03 1.10 -0.46 1.28 -2.18 0.00 0.00 179.01 178.72 1cqg n LEU 104 N -4.12 2.06 0.00 1.64 4.77 -0.04 -5.09 117.00 116.22 1cqg n LEU 104 Ca 0.01 -0.77 0.03 0.00 -0.03 0.00 0.00 56.01 55.25 1cqg n LEU 104 Cb 0.44 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.73 1cqg n LEU 104 CO 0.46 0.38 0.43 0.55 -1.33 0.00 0.00 177.39 177.88