#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrd n TRP 2 N 0.00 -1.57 -3.62 1.12 8.01 -1.26 -0.28 117.44 119.84 1xrd n TRP 2 Ca 0.00 0.27 -0.26 0.00 -1.31 0.00 0.00 57.50 56.19 1xrd n TRP 2 Cb 0.00 -1.28 0.04 0.00 -2.01 0.00 0.00 31.31 28.07 1xrd n TRP 2 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1xrd n ARG 3 N -2.97 -2.21 -2.27 -0.99 1.74 -1.26 -0.86 116.66 107.84 1xrd n ARG 3 Ca 0.05 0.56 -0.07 0.00 -0.77 0.00 0.00 57.85 57.61 1xrd n ARG 3 Cb 0.45 -4.65 -0.01 0.00 -1.02 0.00 0.00 32.46 27.23 1xrd n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1xrd n ILE 4 N -4.04 -0.29 -2.53 0.55 -0.00 0.62 -1.25 119.36 112.42 1xrd n ILE 4 Ca -0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.52 1xrd n ILE 4 Cb 0.62 -0.98 -0.02 0.00 -0.00 0.00 0.00 39.64 39.26 1xrd n ILE 4 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.55 178.42 1xrd n TRP 5 N -2.78 -1.33 -1.43 1.39 -0.00 -0.04 -4.32 117.44 108.93 1xrd n TRP 5 Ca -0.08 0.15 -0.00 0.00 -0.00 0.00 0.00 57.50 57.56 1xrd n TRP 5 Cb 0.51 -0.94 -0.00 0.00 -0.00 0.00 0.00 31.31 30.88 1xrd n TRP 5 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1xrd n GLN 6 N -2.26 0.00 -0.06 5.87 6.02 -0.71 -4.93 117.38 121.31 1xrd n GLN 6 Ca 0.03 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.98 1xrd n GLN 6 Cb 0.37 0.01 -0.02 0.00 1.02 0.00 0.00 30.24 31.62 1xrd n GLN 6 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1xrd h LEU 7 N 0.00 0.00 -6.50 1.08 3.38 -1.37 -3.45 115.31 108.46 1xrd h LEU 7 Ca -0.00 -0.07 -0.59 0.00 0.09 0.00 0.00 57.88 57.30 1xrd h LEU 7 Cb 0.43 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.79 1xrd h LEU 7 CO -0.00 0.63 -0.91 -0.36 0.09 0.00 0.00 178.44 177.89 1xrd s PHE 8 N -1.81 1.20 0.21 1.13 0.40 -1.26 -4.92 117.98 112.93 1xrd s PHE 8 Ca -0.06 -2.22 0.00 0.00 -0.60 0.00 0.00 56.93 54.05 1xrd s PHE 8 Cb 0.01 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.45 1xrd s PHE 8 CO 0.12 -0.81 0.00 -0.25 0.70 0.00 0.00 175.22 174.98 1xrd n ASP 9 N 3.13 -1.92 0.03 1.36 8.00 -1.26 -4.94 116.55 120.95 1xrd n ASP 9 Ca 0.24 0.47 -0.10 0.00 0.71 0.00 0.00 54.79 56.10 1xrd n ASP 9 Cb 0.44 2.00 -0.04 0.00 -0.02 0.00 0.00 41.12 43.50 1xrd n ASP 9 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1xrd h PRO 10 N 0.00 -0.32 0.24 -0.24 0.13 -1.91 0.38 132.00 130.29 1xrd h PRO 10 Ca 0.00 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1xrd h PRO 10 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 1xrd h PRO 10 CO 0.00 -0.21 -0.33 -0.09 -0.23 0.00 0.00 178.00 177.14 1xrd h ARG 11 N -0.33 -0.61 -0.15 0.86 2.43 -1.92 -1.24 114.38 113.42 1xrd h ARG 11 Ca 0.08 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1xrd h ARG 11 Cb 0.44 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1xrd h ARG 11 CO -0.25 -0.41 0.10 1.96 -1.51 0.00 0.00 179.97 179.86 1xrd h GLN 12 N -0.63 0.09 -0.07 0.20 4.20 -1.88 -1.45 115.11 115.57 1xrd h GLN 12 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xrd h GLN 12 Cb 0.61 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1xrd h GLN 12 CO -0.12 0.06 0.02 0.00 -0.67 0.00 0.00 178.83 178.13 1xrd h ALA 13 N 1.92 0.09 -0.38 3.87 0.00 0.83 0.27 119.26 125.86 1xrd h ALA 13 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1xrd h ALA 13 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xrd h ALA 13 CO -0.01 -0.32 -0.11 -0.07 0.00 0.00 0.00 179.25 178.75 1xrd h LEU 14 N -0.07 0.66 -1.36 0.00 -0.00 -0.70 -1.76 115.31 112.08 1xrd h LEU 14 Ca 0.02 -0.18 -0.06 0.00 -0.00 0.00 0.00 57.88 57.66 1xrd h LEU 14 Cb 0.19 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 1xrd h LEU 14 CO -0.00 0.80 -0.30 0.58 -0.00 0.00 0.00 178.44 179.52 1xrd h VAL 15 N 0.61 0.98 -0.08 1.22 2.07 -1.09 -1.76 116.25 118.21 1xrd h VAL 15 Ca 0.11 -1.12 -0.18 0.00 0.82 0.00 0.00 66.70 66.34 1xrd h VAL 15 Cb 0.54 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1xrd h VAL 15 CO 0.03 0.29 -0.64 1.23 0.02 0.00 0.00 177.57 178.51 1xrd h GLY 16 N 1.27 0.64 0.71 2.17 0.00 -0.12 -1.56 103.07 106.18 1xrd h GLY 16 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 1xrd h GLY 16 CO 0.04 0.86 -0.34 1.41 0.00 0.00 0.00 176.54 178.51 1xrd h LEU 17 N 0.20 -0.80 -0.59 3.11 3.38 -1.13 0.28 115.31 119.76 1xrd h LEU 17 Ca -0.06 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1xrd h LEU 17 Cb 1.29 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.19 1xrd h LEU 17 CO 0.13 -0.50 0.25 0.00 0.09 0.00 0.00 178.44 178.41 1xrd h ALA 18 N -1.41 0.76 -0.36 1.53 0.00 -1.45 -0.03 119.26 118.30 1xrd h ALA 18 Ca -0.10 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1xrd h ALA 18 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xrd h ALA 18 CO 0.16 -0.15 -0.15 1.15 0.00 0.00 0.00 179.25 180.26 1xrd h THR 19 N 0.45 1.28 -0.06 0.00 2.02 -1.31 -1.41 112.91 113.89 1xrd h THR 19 Ca 0.29 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1xrd h THR 19 Cb 0.31 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1xrd h THR 19 CO -0.26 0.41 0.04 0.15 0.37 0.00 0.00 175.52 176.23 1xrd h PHE 20 N 0.53 0.08 0.05 3.16 3.04 0.08 0.57 116.94 124.46 1xrd h PHE 20 Ca 0.08 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 1xrd h PHE 20 Cb 0.68 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1xrd h PHE 20 CO 0.06 0.09 -0.02 1.37 -2.02 0.00 0.00 178.31 177.78 1xrd h LEU 21 N 0.05 -0.06 -0.23 0.59 8.10 -1.04 -1.07 115.31 121.65 1xrd h LEU 21 Ca 0.02 -0.26 0.05 0.00 0.11 0.00 0.00 57.88 57.79 1xrd h LEU 21 Cb 0.03 0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 40.22 1xrd h LEU 21 CO -0.00 0.24 -0.06 0.15 -4.11 0.00 0.00 178.44 174.66 1xrd h PHE 22 N -0.35 -0.12 0.05 0.17 3.04 -1.21 0.25 116.94 118.77 1xrd h PHE 22 Ca -0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1xrd h PHE 22 Cb 0.32 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1xrd h PHE 22 CO 0.02 -0.10 -0.02 -0.39 -2.02 0.00 0.00 178.31 175.80 1xrd h VAL 23 N 0.00 1.07 -0.51 1.41 -1.51 -0.89 -1.79 116.25 114.03 1xrd h VAL 23 Ca 0.11 -0.39 0.02 0.00 -1.23 0.00 0.00 66.70 65.21 1xrd h VAL 23 Cb 0.17 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.62 1xrd h VAL 23 CO -0.23 0.10 0.34 0.25 -1.23 0.00 0.00 177.57 176.79 1xrd h LEU 24 N -0.24 0.54 0.33 4.19 6.46 -1.01 -0.94 115.31 124.63 1xrd h LEU 24 Ca -0.01 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1xrd h LEU 24 Cb 0.21 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1xrd h LEU 24 CO 0.01 0.38 -0.16 0.00 -0.62 0.00 0.00 178.44 178.06 1xrd h ALA 25 N 1.70 -0.44 -0.30 1.25 0.00 -0.16 -1.43 119.26 119.88 1xrd h ALA 25 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xrd h ALA 25 Cb 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xrd h ALA 25 CO -0.05 -0.70 0.03 1.37 0.00 0.00 0.00 179.25 179.91 1xrd h LEU 26 N -0.54 0.40 -0.13 0.00 8.10 -0.96 -1.61 115.31 120.57 1xrd h LEU 26 Ca -0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 57.88 57.88 1xrd h LEU 26 Cb 0.40 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 1xrd h LEU 26 CO 0.07 0.44 0.06 -0.07 -4.11 0.00 0.00 178.44 174.84 1xrd h LEU 27 N 0.43 0.18 0.36 0.17 -0.00 -0.94 0.26 115.31 115.77 1xrd h LEU 27 Ca 0.10 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1xrd h LEU 27 Cb 0.23 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1xrd h LEU 27 CO 0.00 0.26 -0.18 0.40 -0.00 0.00 0.00 178.44 178.93 1xrd h ILE 28 N 0.08 0.65 -1.01 1.22 2.04 -0.96 0.04 117.51 119.57 1xrd h ILE 28 Ca 0.05 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1xrd h ILE 28 Cb 0.14 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1xrd h ILE 28 CO -0.01 0.06 0.66 -0.74 0.00 0.00 0.00 178.15 178.12 1xrd h HIS 29 N -0.66 1.24 -0.38 1.37 2.76 -1.30 0.09 115.15 118.27 1xrd h HIS 29 Ca -0.05 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1xrd h HIS 29 Cb 0.47 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1xrd h HIS 29 CO -0.01 0.73 0.07 0.35 -1.30 0.00 0.00 177.93 177.77 1xrd h PHE 30 N 1.29 0.66 -0.10 5.26 3.04 -0.38 0.28 116.94 127.00 1xrd h PHE 30 Ca 0.39 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 62.22 1xrd h PHE 30 Cb -0.04 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 1xrd h PHE 30 CO -0.00 0.66 -0.05 0.97 -2.02 0.00 0.00 178.31 177.87 1xrd h ILE 31 N 0.47 1.33 -0.08 1.41 6.09 -0.56 0.28 117.51 126.45 1xrd h ILE 31 Ca 0.12 -1.10 -0.01 0.00 -1.37 0.00 0.00 64.86 62.50 1xrd h ILE 31 Cb 0.35 1.85 -0.00 0.00 0.47 0.00 0.00 36.82 39.49 1xrd h ILE 31 CO 0.01 0.31 0.01 0.17 -3.07 0.00 0.00 178.15 175.58 1xrd h LEU 32 N -0.16 0.14 -0.77 2.19 8.10 -1.00 0.55 115.31 124.36 1xrd h LEU 32 Ca 0.02 -0.27 -0.01 0.00 0.11 0.00 0.00 57.88 57.73 1xrd h LEU 32 Cb 0.52 -0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 40.66 1xrd h LEU 32 CO 0.02 0.38 0.44 0.17 -4.11 0.00 0.00 178.44 175.33 1xrd h LEU 33 N -0.11 0.94 0.84 0.17 8.10 -0.48 0.22 115.31 124.99 1xrd h LEU 33 Ca 0.03 -0.08 -0.04 0.00 0.11 0.00 0.00 57.88 57.89 1xrd h LEU 33 Cb 0.30 -0.24 0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1xrd h LEU 33 CO 0.00 0.75 -0.40 -1.28 -4.11 0.00 0.00 178.44 173.41 1xrd h SER 34 N 1.06 -0.95 -0.20 0.17 0.87 -0.28 0.22 113.55 114.43 1xrd h SER 34 Ca 0.27 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1xrd h SER 34 Cb 0.01 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1xrd h SER 34 CO -0.05 -0.61 0.12 0.74 -0.53 0.00 0.00 176.83 176.50 1xrd h THR 35 N -1.26 1.02 -0.57 2.23 2.02 -0.84 0.20 112.91 115.71 1xrd h THR 35 Ca -0.11 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1xrd h THR 35 Cb 0.87 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1xrd h THR 35 CO 0.19 0.04 0.28 1.05 0.37 0.00 0.00 175.52 177.46 1xrd h GLU 36 N 0.24 0.81 -0.41 6.66 -0.00 -0.61 -1.53 114.58 119.74 1xrd h GLU 36 Ca 0.08 -0.11 -0.09 0.00 -0.00 0.00 0.00 59.36 59.23 1xrd h GLU 36 Cb -0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 28.58 1xrd h GLU 36 CO -0.04 0.65 -0.13 -0.09 -0.00 0.00 0.00 179.01 179.40 1xrd h ARG 37 N 0.77 0.73 0.40 1.06 9.65 -0.32 -1.33 114.38 125.33 1xrd h ARG 37 Ca 0.20 -0.25 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1xrd h ARG 37 Cb 0.10 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1xrd h ARG 37 CO -0.03 0.83 -0.19 0.35 2.80 0.00 0.00 179.97 183.74 1xrd h PHE 38 N 0.66 -0.49 -0.05 2.20 3.57 -0.19 -1.60 116.94 121.04 1xrd h PHE 38 Ca 0.11 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1xrd h PHE 38 Cb 0.60 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1xrd h PHE 38 CO 0.03 -0.31 0.13 -0.91 -2.23 0.00 0.00 178.31 175.02 1xrd h ASN 39 N -0.57 0.00 0.00 0.41 2.35 -1.35 0.81 115.58 117.23 1xrd h ASN 39 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1xrd h ASN 39 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1xrd h ASN 39 CO 0.09 0.00 0.00 1.87 -1.65 0.00 0.00 177.43 177.74 1xrd n TRP 40 N -3.31 0.00 0.27 1.19 -0.00 -0.50 -1.87 117.44 113.21 1xrd n TRP 40 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.60 1xrd n TRP 40 Cb 0.21 -0.47 0.55 0.00 -0.00 0.00 0.00 31.31 31.60 1xrd n TRP 40 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 177.69 179.16 1xrd n LEU 41 N -1.91 0.62 0.12 5.87 -0.00 -0.62 -2.99 117.00 118.09 1xrd n LEU 41 Ca 0.00 0.72 -0.05 0.00 -0.00 0.00 0.00 56.01 56.69 1xrd n LEU 41 Cb 0.00 -0.72 -0.02 0.00 -0.00 0.00 0.00 43.42 42.67 1xrd n LEU 41 CO 0.00 -0.79 0.42 -0.08 -0.00 0.00 0.00 177.39 176.95 1xrd h GLU 42 N 0.00 -0.30 0.00 1.47 4.81 0.77 -3.49 114.58 117.83 1xrd h GLU 42 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xrd h GLU 42 Cb 0.16 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1xrd h GLU 42 CO 0.00 -0.20 0.00 0.41 -0.73 0.00 0.00 179.01 178.49 1xrd n GLY 43 N -0.66 -1.85 5.97 1.92 0.00 -0.78 -4.96 105.19 104.83 1xrd n GLY 43 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1xrd n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrd n ALA 44 N -2.55 0.00 0.17 4.61 0.00 -1.20 0.13 120.51 121.67 1xrd n ALA 44 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1xrd n ALA 44 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 1xrd n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xrd h SER 45 N 0.00 0.00 0.90 0.00 4.64 -1.88 -2.82 113.55 114.38 1xrd h SER 45 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xrd h SER 45 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xrd h SER 45 CO 0.00 0.46 -0.49 0.35 -0.87 0.00 0.00 176.83 176.28 1xrd n THR 46 N -3.79 0.31 -2.63 2.95 -2.24 0.35 -4.88 114.28 104.34 1xrd n THR 46 Ca -0.01 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.17 1xrd n THR 46 Cb 0.51 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 1xrd n THR 46 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1xrd s LYS 47 N -3.12 4.55 0.08 -0.78 2.20 -1.07 -4.96 119.74 116.64 1xrd s LYS 47 Ca 0.08 1.54 -0.35 0.00 -0.36 0.00 0.00 55.97 56.88 1xrd s LYS 47 Cb 0.14 -2.94 -0.15 0.00 -1.51 0.00 0.00 37.83 33.37 1xrd s LYS 47 CO 0.69 0.21 1.55 -2.30 -0.36 0.00 0.00 175.35 175.14 1xrd n PRO 48 N 0.77 1.78 0.00 4.03 -0.02 -1.26 -4.81 135.00 135.49 1xrd n PRO 48 Ca 0.01 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1xrd n PRO 48 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1xrd n PRO 48 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xrd n VAL 49 N 3.44 0.00 -2.89 -1.45 0.31 -1.26 -5.06 118.33 111.42 1xrd n VAL 49 Ca 0.19 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.50 1xrd n VAL 49 Cb 0.25 -0.36 0.01 0.00 -0.91 0.00 0.00 33.84 32.82 1xrd n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xrd s GLN 50 N -1.84 0.76 -0.28 5.55 -2.07 -1.26 -5.05 119.66 115.47 1xrd s GLN 50 Ca 0.00 -0.57 -0.09 0.00 -1.82 0.00 0.00 55.36 52.89 1xrd s GLN 50 Cb 0.00 0.01 0.01 0.00 -1.09 0.00 0.00 33.01 31.94 1xrd s GLN 50 CO 0.00 -1.00 0.22 0.25 -1.32 0.00 0.00 175.29 173.44 1xrd n THR 51 N 3.44 -8.34 -1.48 3.63 -2.24 -1.26 -5.26 114.28 102.78 1xrd n THR 51 Ca 0.13 1.08 0.00 0.00 -2.27 0.00 0.00 64.05 63.00 1xrd n THR 51 Cb 0.58 -5.61 0.00 0.00 -2.10 0.00 0.00 70.33 63.20 1xrd n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26