#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 -1.71 -2.44 2.03 8.01 -1.26 -0.72 117.44 121.35 1xrd n TRP 2 Ca 0.00 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.13 1xrd n TRP 2 Cb 0.00 -1.71 -0.00 0.00 -2.01 0.00 0.00 31.31 27.58 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 -2.56 -2.62 -3.89 -0.99 1.74 -1.26 -0.59 116.66 106.49 1xrd n ARG 3 Ca -0.06 0.27 -0.26 0.00 -0.77 0.00 0.00 57.85 57.03 1xrd n ARG 3 Cb 0.53 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 27.16 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 -2.86 -3.17 -3.20 0.55 2.08 0.10 -1.53 119.36 111.32 1xrd n ILE 4 Ca -0.07 -0.38 -0.23 0.00 0.56 0.00 0.00 62.75 62.63 1xrd n ILE 4 Cb 0.54 -2.94 -0.04 0.00 -0.75 0.00 0.00 39.64 36.45 1xrd n ILE 4 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1xrd n TRP 5 N -4.40 -0.95 -3.09 1.39 7.02 0.24 -0.64 117.44 117.02 1xrd n TRP 5 Ca -0.22 0.36 -0.21 0.00 -1.02 0.00 0.00 57.50 56.42 1xrd n TRP 5 Cb 0.64 -1.15 -0.04 0.00 -2.42 0.00 0.00 31.31 28.35 1xrd n TRP 5 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1xrd n GLN 6 N -2.67 -1.31 -0.01 -0.99 7.27 -0.58 -4.78 117.38 114.31 1xrd n GLN 6 Ca 0.06 0.07 -0.00 0.00 0.07 0.00 0.00 57.00 57.20 1xrd n GLN 6 Cb 0.32 -3.26 -0.00 0.00 2.41 0.00 0.00 30.24 29.71 1xrd n GLN 6 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1xrd h LEU 7 N -0.42 0.00 -6.36 1.69 3.38 -1.13 -3.46 115.31 109.01 1xrd h LEU 7 Ca -0.29 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.10 1xrd h LEU 7 Cb 0.89 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.26 1xrd h LEU 7 CO 0.43 0.10 -0.95 -0.36 0.09 0.00 0.00 178.44 177.74 1xrd s PHE 8 N -1.14 0.97 0.20 1.13 0.40 -1.26 -4.92 117.98 113.37 1xrd s PHE 8 Ca -0.01 -2.20 0.00 0.00 -0.60 0.00 0.00 56.93 54.12 1xrd s PHE 8 Cb 0.00 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1xrd s PHE 8 CO 0.02 -0.84 0.00 -0.25 0.70 0.00 0.00 175.22 174.85 1xrd n ASP 9 N 3.01 -1.83 0.29 1.36 9.92 -1.26 -4.94 116.55 123.09 1xrd n ASP 9 Ca 0.27 0.50 -0.18 0.00 -0.53 0.00 0.00 54.79 54.86 1xrd n ASP 9 Cb 0.47 1.92 -0.09 0.00 -0.64 0.00 0.00 41.12 42.77 1xrd n ASP 9 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1xrd h PRO 10 N 0.00 -0.91 -0.18 -0.24 0.11 -1.91 0.31 132.00 129.17 1xrd h PRO 10 Ca 0.00 0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.20 1xrd h PRO 10 Cb 0.00 0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1xrd h PRO 10 CO 0.00 -0.61 -0.01 0.07 -0.21 0.00 0.00 178.00 177.24 1xrd h ARG 11 N -0.95 0.05 -0.64 1.05 0.11 -1.94 -1.35 114.38 110.72 1xrd h ARG 11 Ca -0.05 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.04 1xrd h ARG 11 Cb 0.83 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.86 1xrd h ARG 11 CO -0.05 0.03 0.43 0.37 0.10 0.00 0.00 179.97 180.84 1xrd h GLN 12 N 0.05 0.79 -0.26 0.08 5.75 -1.89 -0.36 115.11 119.26 1xrd h GLN 12 Ca 0.09 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1xrd h GLN 12 Cb 0.11 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1xrd h GLN 12 CO -0.15 0.52 0.07 0.00 -2.65 0.00 0.00 178.83 176.62 1xrd h ALA 13 N 1.61 0.34 -0.33 3.38 0.00 0.43 0.41 119.26 125.10 1xrd h ALA 13 Ca 0.25 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xrd h ALA 13 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xrd h ALA 13 CO -0.06 -0.02 -0.19 -0.07 0.00 0.00 0.00 179.25 178.91 1xrd h LEU 14 N 0.25 0.60 -1.07 0.00 3.38 -0.77 -1.86 115.31 115.84 1xrd h LEU 14 Ca 0.08 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1xrd h LEU 14 Cb 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xrd h LEU 14 CO -0.00 0.80 -0.39 0.58 0.09 0.00 0.00 178.44 179.52 1xrd h VAL 15 N 0.54 1.01 -0.01 1.22 2.07 -0.85 -1.49 116.25 118.74 1xrd h VAL 15 Ca 0.09 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1xrd h VAL 15 Cb 0.63 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1xrd h VAL 15 CO 0.04 0.38 -0.08 1.23 0.02 0.00 0.00 177.57 179.16 1xrd h GLY 16 N 1.72 0.07 0.83 2.17 0.00 -0.32 -1.53 103.07 106.02 1xrd h GLY 16 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1xrd h GLY 16 CO 0.05 0.10 -0.31 1.41 0.00 0.00 0.00 176.54 177.79 1xrd h LEU 17 N -0.63 -0.74 -0.41 3.11 3.38 -1.36 0.26 115.31 118.92 1xrd h LEU 17 Ca -0.01 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1xrd h LEU 17 Cb 0.81 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1xrd h LEU 17 CO 0.02 -0.42 0.01 0.00 0.09 0.00 0.00 178.44 178.14 1xrd h ALA 18 N -0.83 0.39 -0.37 1.53 0.00 -1.41 -0.69 119.26 117.89 1xrd h ALA 18 Ca -0.09 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1xrd h ALA 18 Cb 0.71 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xrd h ALA 18 CO 0.15 -0.38 -0.27 1.15 0.00 0.00 0.00 179.25 179.89 1xrd h THR 19 N 0.12 1.28 0.27 0.00 2.02 -1.28 -1.30 112.91 114.02 1xrd h THR 19 Ca 0.20 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 1xrd h THR 19 Cb 0.29 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1xrd h THR 19 CO -0.33 0.46 -0.13 0.15 0.37 0.00 0.00 175.52 176.04 1xrd h PHE 20 N 0.65 -0.34 -0.05 3.16 3.04 0.29 0.82 116.94 124.51 1xrd h PHE 20 Ca 0.08 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1xrd h PHE 20 Cb 0.79 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 1xrd h PHE 20 CO 0.04 -0.21 -0.00 1.37 -2.02 0.00 0.00 178.31 177.49 1xrd h LEU 21 N -0.37 0.09 -0.35 0.59 8.10 -1.17 -1.49 115.31 120.72 1xrd h LEU 21 Ca -0.04 -0.32 0.06 0.00 0.11 0.00 0.00 57.88 57.69 1xrd h LEU 21 Cb 0.28 -0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 40.42 1xrd h LEU 21 CO 0.06 0.39 -0.02 0.15 -4.11 0.00 0.00 178.44 174.92 1xrd h PHE 22 N -0.22 -0.05 -0.09 0.17 3.57 -1.20 -1.45 116.94 117.67 1xrd h PHE 22 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xrd h PHE 22 Cb 0.35 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1xrd h PHE 22 CO 0.04 -0.08 0.01 -0.39 -2.23 0.00 0.00 178.31 175.65 1xrd h VAL 23 N 0.08 1.24 0.12 1.41 -1.51 -0.84 -1.16 116.25 115.59 1xrd h VAL 23 Ca 0.17 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1xrd h VAL 23 Cb 0.24 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 1xrd h VAL 23 CO -0.30 0.21 -0.26 0.25 -1.23 0.00 0.00 177.57 176.24 1xrd h LEU 24 N -0.10 -0.77 -1.83 4.19 7.12 -1.02 0.11 115.31 123.02 1xrd h LEU 24 Ca 0.03 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.18 1xrd h LEU 24 Cb 0.32 0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 1xrd h LEU 24 CO 0.00 -0.30 0.25 0.00 -0.13 0.00 0.00 178.44 178.27 1xrd h ALA 25 N -1.14 2.08 -0.04 1.25 0.00 -1.36 -1.62 119.26 118.43 1xrd h ALA 25 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xrd h ALA 25 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xrd h ALA 25 CO -0.11 -0.16 0.01 -0.07 0.00 0.00 0.00 179.25 178.93 1xrd h LEU 26 N 0.21 0.06 -1.02 0.00 3.38 -0.51 -1.43 115.31 116.01 1xrd h LEU 26 Ca 0.17 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1xrd h LEU 26 Cb 0.39 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1xrd h LEU 26 CO -0.03 0.25 0.26 -0.07 0.09 0.00 0.00 178.44 178.93 1xrd h LEU 27 N -0.13 0.88 0.61 1.67 3.38 -0.09 0.18 115.31 121.82 1xrd h LEU 27 Ca 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1xrd h LEU 27 Cb 0.21 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xrd h LEU 27 CO -0.00 0.79 -0.29 0.40 0.09 0.00 0.00 178.44 179.43 1xrd h ILE 28 N 0.94 0.00 -0.87 1.22 2.04 -1.15 0.12 117.51 119.82 1xrd h ILE 28 Ca 0.22 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1xrd h ILE 28 Cb 0.19 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1xrd h ILE 28 CO -0.02 0.00 0.58 0.45 0.00 0.00 0.00 178.15 179.16 1xrd h HIS 29 N -0.93 1.09 -0.34 1.37 3.86 -1.26 -0.93 115.15 118.01 1xrd h HIS 29 Ca -0.08 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1xrd h HIS 29 Cb 0.63 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1xrd h HIS 29 CO 0.06 0.68 0.08 0.35 0.86 0.00 0.00 177.93 179.96 1xrd h PHE 30 N 1.17 0.57 -0.11 2.45 3.57 -0.62 0.30 116.94 124.28 1xrd h PHE 30 Ca 0.32 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1xrd h PHE 30 Cb -0.13 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 1xrd h PHE 30 CO -0.00 0.59 -0.06 0.97 -2.23 0.00 0.00 178.31 177.57 1xrd h ILE 31 N 0.39 1.33 -0.14 1.41 6.09 -0.43 0.23 117.51 126.38 1xrd h ILE 31 Ca 0.11 -1.12 -0.02 0.00 -1.37 0.00 0.00 64.86 62.45 1xrd h ILE 31 Cb 0.31 1.84 -0.01 0.00 0.47 0.00 0.00 36.82 39.43 1xrd h ILE 31 CO 0.00 0.32 0.01 0.17 -3.07 0.00 0.00 178.15 175.58 1xrd h LEU 32 N -0.13 0.25 -0.40 2.19 8.10 -1.19 0.10 115.31 124.22 1xrd h LEU 32 Ca 0.02 -0.30 -0.01 0.00 0.11 0.00 0.00 57.88 57.70 1xrd h LEU 32 Cb 0.54 -0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 40.67 1xrd h LEU 32 CO 0.02 0.48 0.21 0.17 -4.11 0.00 0.00 178.44 175.21 1xrd h LEU 33 N 0.00 0.51 0.48 0.17 8.10 -0.44 0.24 115.31 124.37 1xrd h LEU 33 Ca 0.04 -0.10 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1xrd h LEU 33 Cb 0.35 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1xrd h LEU 33 CO 0.01 0.47 -0.23 -1.28 -4.11 0.00 0.00 178.44 173.30 1xrd h SER 34 N 0.52 -0.55 -0.82 0.17 0.87 -0.47 0.38 113.55 113.66 1xrd h SER 34 Ca 0.14 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1xrd h SER 34 Cb 0.08 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1xrd h SER 34 CO -0.02 -0.31 0.39 0.74 -0.53 0.00 0.00 176.83 177.09 1xrd h THR 35 N -0.75 1.26 0.60 2.23 2.02 -0.76 0.29 112.91 117.80 1xrd h THR 35 Ca -0.07 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1xrd h THR 35 Cb 0.55 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1xrd h THR 35 CO 0.11 0.31 -0.29 -0.08 0.37 0.00 0.00 175.52 175.94 1xrd h GLU 36 N 1.17 -0.78 -0.56 6.66 4.81 -0.46 -1.19 114.58 124.23 1xrd h GLU 36 Ca 0.28 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1xrd h GLU 36 Cb 0.13 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1xrd h GLU 36 CO -0.03 -0.47 0.12 -0.09 -0.73 0.00 0.00 179.01 177.80 1xrd h ARG 37 N -1.04 0.87 0.29 1.92 9.65 -0.90 -1.22 114.38 123.95 1xrd h ARG 37 Ca -0.08 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 1xrd h ARG 37 Cb 0.67 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1xrd h ARG 37 CO 0.14 0.79 -0.14 0.35 2.80 0.00 0.00 179.97 183.91 1xrd h PHE 38 N 0.83 -0.36 -0.01 2.20 3.57 -0.41 -1.59 116.94 121.16 1xrd h PHE 38 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1xrd h PHE 38 Cb 0.33 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1xrd h PHE 38 CO 0.02 -0.22 0.11 -0.97 -2.23 0.00 0.00 178.31 175.02 1xrd h ASN 39 N -0.41 0.00 0.00 0.41 -0.73 -1.26 0.73 115.58 114.32 1xrd h ASN 39 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1xrd h ASN 39 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1xrd h ASN 39 CO 0.07 0.00 0.00 1.87 -0.37 0.00 0.00 177.43 179.00 1xrd n TRP 40 N -3.08 0.00 0.28 0.67 -0.00 -0.46 -1.74 117.44 113.10 1xrd n TRP 40 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.64 1xrd n TRP 40 Cb 0.18 -0.47 0.80 0.00 -0.00 0.00 0.00 31.31 31.82 1xrd n TRP 40 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1xrd h LEU 41 N 0.00 0.00 0.29 5.87 5.85 -1.08 -2.48 115.31 123.76 1xrd h LEU 41 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xrd h LEU 41 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1xrd h LEU 41 CO 0.00 0.00 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.88 1xrd h GLU 42 N 0.00 -0.38 -0.79 1.25 4.57 0.54 -3.50 114.58 116.28 1xrd h GLU 42 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1xrd h GLU 42 Cb 0.15 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1xrd h GLU 42 CO 0.00 -0.14 0.00 0.41 -1.18 0.00 0.00 179.01 178.10 1xrd n GLY 43 N -0.78 -0.85 2.69 1.92 0.00 -0.71 -4.99 105.19 102.48 1xrd n GLY 43 Ca -0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 1.65 -3.11 -1.40 4.61 0.00 -1.26 -4.88 120.51 116.12 1xrd n ALA 44 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1xrd n ALA 44 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.69 1xrd n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xrd n SER 45 N 2.03 -1.34 0.15 0.00 2.88 -1.26 -4.88 113.62 111.21 1xrd n SER 45 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1xrd n SER 45 Cb 0.66 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1xrd n SER 45 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xrd n THR 46 N -3.28 0.00 -0.01 2.46 -2.24 -1.26 -5.00 114.28 104.95 1xrd n THR 46 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1xrd n THR 46 Cb 0.29 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1xrd n THR 46 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xrd h LYS 47 N 0.00 -0.09 -5.24 -0.78 1.57 -1.90 -3.39 116.57 106.73 1xrd h LYS 47 Ca 0.00 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.19 1xrd h LYS 47 Cb 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1xrd h LYS 47 CO 0.00 -0.06 2.12 -0.35 -0.57 0.00 0.00 179.45 180.59 1xrd n PRO 48 N -4.75 2.54 -3.41 3.15 -0.04 -1.26 -4.94 135.00 126.29 1xrd n PRO 48 Ca -0.01 -2.78 -0.38 0.00 -0.04 0.00 0.00 63.50 60.29 1xrd n PRO 48 Cb 0.04 -3.45 -0.07 0.00 -0.04 0.00 0.00 33.50 29.98 1xrd n PRO 48 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xrd s VAL 49 N 5.81 5.21 0.00 0.52 -7.23 -1.26 -4.69 120.40 118.76 1xrd s VAL 49 Ca 0.57 0.70 0.00 0.00 -1.81 0.00 0.00 61.98 61.43 1xrd s VAL 49 Cb 0.06 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1xrd s VAL 49 CO 0.07 0.28 0.00 0.00 -0.31 0.00 0.00 175.10 175.13 1xrd n GLN 50 N 4.29 0.00 -3.65 4.82 10.64 -1.26 -4.13 117.38 128.10 1xrd n GLN 50 Ca -0.09 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.04 1xrd n GLN 50 Cb 0.51 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.83 1xrd n GLN 50 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1xrd s THR 51 N 0.00 -0.45 0.00 -0.39 -4.23 -1.26 -5.27 115.64 104.04 1xrd s THR 51 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1xrd s THR 51 Cb 0.00 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1xrd s THR 51 CO 0.00 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.84