#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtg n LYS 2 N 0.00 0.00 -3.84 3.17 0.00 -1.26 -3.50 118.16 112.73 1qtg n LYS 2 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 58.31 58.27 1qtg n LYS 2 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 35.03 33.40 1qtg n LYS 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1qtg s GLY 3 N -1.62 0.04 0.00 3.14 0.00 -1.26 -4.90 107.32 102.73 1qtg s GLY 3 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1qtg s GLY 3 CO 0.00 -0.27 0.00 1.03 0.00 0.00 0.00 173.10 173.86 1qtg n MET 4 N -0.40 -0.33 -0.21 2.90 2.81 -1.26 -4.37 117.12 116.26 1qtg n MET 4 Ca -0.06 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.76 1qtg n MET 4 Cb 0.61 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.11 1qtg n MET 4 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1qtg n SER 5 N 0.14 1.31 0.00 7.83 3.41 -1.23 -3.86 113.62 121.21 1qtg n SER 5 Ca 0.00 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1qtg n SER 5 Cb 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 1qtg n SER 5 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qtg n LYS 6 N 4.89 0.00 -1.14 4.33 5.02 -1.26 -4.76 118.16 125.24 1qtg n LYS 6 Ca 0.13 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.26 1qtg n LYS 6 Cb 0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.89 1qtg n LYS 6 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1qtg n MET 7 N -0.24 0.00 -1.89 1.97 1.56 -1.25 -4.80 117.12 112.47 1qtg n MET 7 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.10 1qtg n MET 7 Cb 0.00 -0.77 0.03 0.00 2.15 0.00 0.00 33.22 34.62 1qtg n MET 7 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1qtg s PRO 8 N 5.33 3.10 0.00 2.12 0.04 -1.26 -4.88 135.00 139.45 1qtg s PRO 8 Ca 0.96 1.24 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1qtg s PRO 8 Cb -0.62 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 31.95 1qtg s PRO 8 CO 0.42 -0.99 0.48 1.04 0.04 0.00 0.00 177.00 177.98 1qtg n GLN 9 N -2.29 0.45 -0.11 4.56 6.02 -1.26 -2.78 117.38 121.98 1qtg n GLN 9 Ca 0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.90 1qtg n GLN 9 Cb 0.53 -1.02 -0.09 0.00 1.02 0.00 0.00 30.24 30.68 1qtg n GLN 9 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1qtg n PHE 10 N -0.52 0.00 0.50 1.08 7.35 -1.26 -4.43 117.46 120.18 1qtg n PHE 10 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.82 1qtg n PHE 10 Cb 0.00 -0.80 0.46 0.00 0.35 0.00 0.00 39.48 39.49 1qtg n PHE 10 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1qtg n LEU 11 N -3.47 0.73 -0.04 -2.13 4.77 -1.12 -3.40 117.00 112.34 1qtg n LEU 11 Ca -0.40 0.63 0.23 0.00 -0.03 0.00 0.00 56.01 56.44 1qtg n LEU 11 Cb 0.86 -0.46 0.52 0.00 -2.33 0.00 0.00 43.42 42.00 1qtg n LEU 11 CO 0.13 -0.40 1.21 -1.13 -1.33 0.00 0.00 177.39 175.87 1qtg h ASN 12 N 0.00 0.00 0.04 -1.43 -0.73 -1.76 3.16 115.58 114.86 1qtg h ASN 12 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1qtg h ASN 12 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.12 1qtg h ASN 12 CO 0.00 0.00 -0.05 0.54 -0.37 0.00 0.00 177.43 177.55 1qtg n ARG 13 N -3.29 1.47 -3.66 6.67 1.74 -1.22 -4.88 116.66 113.48 1qtg n ARG 13 Ca 0.15 -0.82 -0.31 0.00 -0.77 0.00 0.00 57.85 56.10 1qtg n ARG 13 Cb 1.14 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 31.05 1qtg n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1qtg s TRP 14 N -2.10 3.48 0.28 -1.55 0.52 1.05 -5.06 118.94 115.56 1qtg s TRP 14 Ca 0.36 0.52 -0.29 0.00 0.02 0.00 0.00 56.10 56.70 1qtg s TRP 14 Cb 0.21 -1.98 -0.10 0.00 -1.15 0.00 0.00 33.47 30.45 1qtg s TRP 14 CO 0.37 0.41 1.14 -1.25 0.02 0.00 0.00 176.95 177.65 1qtg s PRO 15 N -2.82 4.58 0.56 4.98 0.04 -1.26 -4.84 135.00 136.25 1qtg s PRO 15 Ca 0.41 1.88 0.42 0.00 0.04 0.00 0.00 61.00 63.74 1qtg s PRO 15 Cb -0.12 -3.17 1.55 0.00 0.04 0.00 0.00 34.50 32.80 1qtg s PRO 15 CO 0.26 0.12 1.62 -0.09 0.04 0.00 0.00 177.00 178.95 1qtg h ARG 16 N 3.86 0.00 -0.48 4.56 2.43 -1.97 0.35 114.38 123.13 1qtg h ARG 16 Ca -0.47 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1qtg h ARG 16 Cb 1.21 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 1qtg h ARG 16 CO 0.67 0.00 0.16 0.93 -1.51 0.00 0.00 179.97 180.23 1qtg h GLU 17 N 0.00 0.33 0.00 0.20 3.07 -2.01 -2.56 114.58 113.61 1qtg h GLU 17 Ca 0.72 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 1qtg h GLU 17 Cb 3.06 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 30.90 1qtg h GLU 17 CO -0.01 0.22 0.00 0.28 -1.40 0.00 0.00 179.01 178.10 1qtg n VAL 18 N -5.01 0.00 -0.09 3.13 0.31 0.12 -3.41 118.33 113.38 1qtg n VAL 18 Ca 0.05 0.62 -0.02 0.00 -0.01 0.00 0.00 64.34 64.98 1qtg n VAL 18 Cb 0.19 -1.39 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 1qtg n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1qtg n LEU 19 N -1.50 -0.24 -0.30 7.52 4.32 -1.19 0.43 117.00 126.04 1qtg n LEU 19 Ca 0.00 0.40 0.14 0.00 -0.02 0.00 0.00 56.01 56.52 1qtg n LEU 19 Cb 0.00 -0.05 0.31 0.00 -1.62 0.00 0.00 43.42 42.06 1qtg n LEU 19 CO 0.00 -0.32 1.03 0.44 -1.22 0.00 0.00 177.39 177.31 1qtg h ASP 20 N 0.00 0.26 -0.59 -1.43 3.32 -1.59 0.29 116.42 116.68 1qtg h ASP 20 Ca 0.04 0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1qtg h ASP 20 Cb 0.09 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1qtg h ASP 20 CO -0.21 -0.05 0.10 0.25 -1.72 0.00 0.00 179.24 177.62 1qtg h LEU 21 N 0.35 0.93 0.40 1.55 6.46 0.89 -2.10 115.31 123.79 1qtg h LEU 21 Ca 0.57 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 1qtg h LEU 21 Cb 1.11 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1qtg h LEU 21 CO -0.56 0.95 -0.19 0.58 -0.62 0.00 0.00 178.44 178.60 1qtg h VAL 22 N 0.88 0.37 -0.68 1.05 2.07 0.07 0.24 116.25 120.25 1qtg h VAL 22 Ca 0.18 -0.62 0.20 0.00 0.82 0.00 0.00 66.70 67.27 1qtg h VAL 22 Cb 0.41 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1qtg h VAL 22 CO 0.01 0.08 0.59 0.03 0.02 0.00 0.00 177.57 178.30 1qtg h ARG 23 N -1.00 0.00 0.02 1.57 3.08 -0.75 0.42 114.38 117.72 1qtg h ARG 23 Ca -0.06 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1qtg h ARG 23 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1qtg h ARG 23 CO 0.09 0.00 -0.59 -0.22 -1.07 0.00 0.00 179.97 178.18 1qtg h LYS 24 N 0.00 0.04 0.00 0.04 3.64 -1.23 -3.29 116.57 115.77 1qtg h LYS 24 Ca 0.32 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1qtg h LYS 24 Cb 1.51 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1qtg h LYS 24 CO -0.00 1.03 0.00 0.28 -2.27 0.00 0.00 179.45 178.49 1qtg h VAL 25 N -0.91 0.00 0.00 2.00 2.07 0.11 -1.17 116.25 118.35 1qtg h VAL 25 Ca -0.15 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1qtg h VAL 25 Cb 1.20 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1qtg h VAL 25 CO -0.06 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 177.07 1qtg h ALA 26 N 2.01 0.75 0.17 1.67 0.00 -1.05 -2.85 119.26 119.96 1qtg h ALA 26 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 1qtg h ALA 26 Cb 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.87 1qtg h ALA 26 CO 0.00 0.58 -1.23 1.49 0.00 0.00 0.00 179.25 180.09 1qtg h GLU 27 N 0.00 0.54 0.00 0.00 4.81 -1.28 -1.60 114.58 117.05 1qtg h GLU 27 Ca -0.00 -0.80 -0.10 0.00 -0.13 0.00 0.00 59.36 58.32 1qtg h GLU 27 Cb 1.26 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1qtg h GLU 27 CO 0.06 1.37 -0.48 1.05 -0.73 0.00 0.00 179.01 180.28 1qtg h GLU 28 N 0.11 0.00 0.00 1.92 4.11 -1.60 -2.82 114.58 116.30 1qtg h GLU 28 Ca -0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.21 1qtg h GLU 28 Cb 1.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 1qtg h GLU 28 CO 0.23 0.48 -0.27 -0.91 0.07 0.00 0.00 179.01 178.62 1qtg h ASN 29 N 0.00 0.00 -2.30 3.06 2.35 -1.56 -3.48 115.58 113.65 1qtg h ASN 29 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qtg h ASN 29 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1qtg h ASN 29 CO 0.06 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1qtg n GLY 30 N 1.14 0.66 3.82 2.83 0.00 -0.98 -5.08 105.19 107.58 1qtg n GLY 30 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 1qtg n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qtg s ARG 31 N -3.33 1.60 0.41 1.61 1.70 -0.64 -5.05 118.95 115.24 1qtg s ARG 31 Ca 0.00 -0.97 -0.06 0.00 -0.47 0.00 0.00 55.73 54.23 1qtg s ARG 31 Cb 0.00 0.48 0.09 0.00 -0.57 0.00 0.00 34.95 34.95 1qtg s ARG 31 CO 0.00 -0.74 0.55 -1.13 -1.08 0.00 0.00 175.30 172.90 1qtg n SER 32 N -0.96 0.14 -0.03 -2.89 3.41 -1.26 -4.39 113.62 107.64 1qtg n SER 32 Ca -0.05 -1.26 -0.15 0.00 -0.26 0.00 0.00 58.87 57.14 1qtg n SER 32 Cb 0.60 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 1qtg n SER 32 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1qtg h VAL 33 N -1.18 1.63 -0.94 -3.33 2.07 -1.92 -3.13 116.25 109.45 1qtg h VAL 33 Ca -0.18 -2.13 0.16 0.00 0.82 0.00 0.00 66.70 65.37 1qtg h VAL 33 Cb 0.52 3.03 -0.08 0.00 -1.52 0.00 0.00 31.29 33.24 1qtg h VAL 33 CO 0.14 0.57 0.60 -1.13 0.02 0.00 0.00 177.57 177.77 1qtg h ASN 34 N -0.67 0.71 0.24 0.57 -0.73 -1.96 0.14 115.58 113.88 1qtg h ASN 34 Ca -0.03 0.05 -0.09 0.00 1.87 0.00 0.00 56.30 58.10 1qtg h ASN 34 Cb 1.06 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 1qtg h ASN 34 CO 0.04 0.33 -0.35 0.28 -0.37 0.00 0.00 177.43 177.36 1qtg h SER 35 N 0.73 0.17 -0.19 1.15 0.02 -1.95 -1.99 113.55 111.50 1qtg h SER 35 Ca 0.49 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 61.20 1qtg h SER 35 Cb 0.78 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.27 1qtg h SER 35 CO -0.25 0.51 -0.59 -0.08 -1.14 0.00 0.00 176.83 175.28 1qtg h GLU 36 N 0.15 0.73 -0.45 3.45 4.57 -0.69 -2.09 114.58 120.25 1qtg h GLU 36 Ca 0.02 -0.53 -0.11 0.00 -1.18 0.00 0.00 59.36 57.56 1qtg h GLU 36 Cb 0.69 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1qtg h GLU 36 CO 0.05 1.15 -0.13 0.82 -1.18 0.00 0.00 179.01 179.72 1qtg h ILE 37 N 0.44 1.27 -0.57 2.32 2.04 -1.19 -2.09 117.51 119.74 1qtg h ILE 37 Ca -0.02 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 1qtg h ILE 37 Cb 1.21 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1qtg h ILE 37 CO 0.13 0.43 -0.01 0.22 0.00 0.00 0.00 178.15 178.92 1qtg h TYR 38 N 0.72 1.10 -0.50 1.37 3.20 -1.39 0.98 116.97 122.44 1qtg h TYR 38 Ca 0.11 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 1qtg h TYR 38 Cb 0.68 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1qtg h TYR 38 CO 0.05 0.99 0.15 1.96 -1.64 0.00 0.00 178.16 179.67 1qtg h GLN 39 N 0.89 0.78 -0.05 1.82 1.08 -1.28 -1.47 115.11 116.87 1qtg h GLN 39 Ca 0.16 -0.17 -0.17 0.00 -1.45 0.00 0.00 58.65 57.02 1qtg h GLN 39 Cb 0.56 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1qtg h GLN 39 CO 0.03 0.74 -0.71 0.00 -0.95 0.00 0.00 178.83 177.94 1qtg h ARG 40 N 0.68 0.27 -0.18 1.46 3.08 -1.25 -2.79 114.38 115.65 1qtg h ARG 40 Ca 0.16 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1qtg h ARG 40 Cb 0.28 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1qtg h ARG 40 CO -0.00 0.87 -0.33 0.28 -1.07 0.00 0.00 179.97 179.72 1qtg h VAL 41 N 0.18 1.28 0.00 2.04 2.07 -0.58 -2.56 116.25 118.68 1qtg h VAL 41 Ca -0.02 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1qtg h VAL 41 Cb 1.27 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1qtg h VAL 41 CO 0.11 0.42 0.00 0.24 0.02 0.00 0.00 177.57 178.36 1qtg h MET 42 N 0.31 0.00 -0.00 1.57 2.86 -1.21 -3.13 114.93 115.33 1qtg h MET 42 Ca 0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1qtg h MET 42 Cb 0.73 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.40 1qtg h MET 42 CO 0.06 0.00 -0.33 1.49 1.06 0.00 0.00 176.91 179.19 1qtg h GLU 43 N 0.00 0.22 0.00 1.72 4.22 -1.19 -3.08 114.58 116.47 1qtg h GLU 43 Ca 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1qtg h GLU 43 Cb 0.94 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1qtg h GLU 43 CO 0.00 0.96 0.00 0.66 -2.18 0.00 0.00 179.01 178.45 1qtg h SER 44 N -0.42 0.00 1.15 1.04 4.64 -1.58 -2.62 113.55 115.75 1qtg h SER 44 Ca -0.04 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 1qtg h SER 44 Cb 1.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 1qtg h SER 44 CO 0.06 0.00 -0.86 -0.26 -0.87 0.00 0.00 176.83 174.90 1qtg h PHE 45 N 0.00 0.00 -0.02 4.77 -1.00 -1.52 -3.26 116.94 115.90 1qtg h PHE 45 Ca 0.00 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 1qtg h PHE 45 Cb 0.39 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1qtg h PHE 45 CO 0.00 0.82 -0.63 0.87 -1.61 0.00 0.00 178.31 177.76 1qtg h LYS 46 N 0.00 0.09 0.00 1.51 1.57 -1.38 -2.76 116.57 115.61 1qtg h LYS 46 Ca -0.02 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1qtg h LYS 46 Cb 1.64 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 1qtg h LYS 46 CO 0.10 0.69 -0.31 0.87 -0.57 0.00 0.00 179.45 180.24 1qtg h LYS 47 N 0.07 0.00 0.00 3.15 1.57 -1.60 -2.87 116.57 116.89 1qtg h LYS 47 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1qtg h LYS 47 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1qtg h LYS 47 CO 0.09 0.31 -1.17 0.93 -0.57 0.00 0.00 179.45 179.04 1qtg h GLU 48 N 0.00 0.00 0.00 3.15 5.08 -1.60 -3.48 114.58 117.74 1qtg h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qtg h GLU 48 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1qtg h GLU 48 CO 0.04 0.68 0.00 0.41 -1.00 0.00 0.00 179.01 179.14 1qtg n GLY 49 N 1.39 0.87 0.18 -3.84 0.00 -1.06 -4.96 105.19 97.78 1qtg n GLY 49 Ca -0.06 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.88 1qtg n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qtg n ARG 50 N -2.22 0.82 0.00 1.61 1.74 -1.14 -4.12 116.66 113.35 1qtg n ARG 50 Ca 0.00 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.71 1qtg n ARG 50 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1qtg n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1qtg n ILE 51 N -0.77 0.00 -2.70 0.55 5.41 -1.26 -5.05 119.36 115.55 1qtg n ILE 51 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1qtg n ILE 51 Cb 0.30 0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 1qtg n ILE 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qtg n GLY 52 N 0.95 2.35 0.00 7.39 0.00 -1.26 -5.07 105.19 109.54 1qtg n GLY 52 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1qtg n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32