#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 -1.22 -3.65 3.17 7.02 -1.26 0.91 117.44 122.41 1xrd n TRP 2 Ca 0.00 0.19 -0.26 0.00 -1.02 0.00 0.00 57.50 56.41 1xrd n TRP 2 Cb 0.00 -2.54 0.05 0.00 -2.42 0.00 0.00 31.31 26.39 1xrd n TRP 2 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1xrd n ARG 3 N -4.64 -6.39 -3.82 -0.99 1.74 -1.26 -1.46 116.66 99.84 1xrd n ARG 3 Ca -0.16 0.72 -0.30 0.00 -0.77 0.00 0.00 57.85 57.34 1xrd n ARG 3 Cb 0.55 -5.68 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 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 -4.77 -1.45 -3.03 0.55 2.08 0.26 -1.57 119.36 111.43 1xrd n ILE 4 Ca 0.01 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.14 1xrd n ILE 4 Cb 0.55 -2.26 -0.03 0.00 -0.75 0.00 0.00 39.64 37.15 1xrd n ILE 4 CO 0.00 0.00 0.00 -2.67 0.56 0.00 0.00 176.55 174.44 1xrd n TRP 5 N -4.40 -1.17 0.00 1.39 2.14 -0.53 -4.04 117.44 110.84 1xrd n TRP 5 Ca 0.03 0.29 0.00 0.00 2.07 0.00 0.00 57.50 59.90 1xrd n TRP 5 Cb 0.52 -1.13 0.00 0.00 -0.81 0.00 0.00 31.31 29.89 1xrd n TRP 5 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1xrd n GLN 6 N -2.63 0.00 0.00 -2.67 7.27 -0.61 -5.07 117.38 113.66 1xrd n GLN 6 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 1xrd n GLN 6 Cb 0.36 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.01 1xrd n GLN 6 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xrd n LEU 7 N -0.34 0.00 -3.49 1.69 4.77 -1.08 -3.17 117.00 115.37 1xrd n LEU 7 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1xrd n LEU 7 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1xrd n LEU 7 CO 0.00 0.00 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.43 1xrd s PHE 8 N 0.00 1.52 0.06 -1.77 0.40 -1.26 -4.97 117.98 111.96 1xrd s PHE 8 Ca 0.00 -2.48 -0.17 0.00 -0.60 0.00 0.00 56.93 53.68 1xrd s PHE 8 Cb 0.00 -1.25 -0.15 0.00 0.51 0.00 0.00 43.02 42.13 1xrd s PHE 8 CO 0.00 -0.78 1.30 -0.44 0.70 0.00 0.00 175.22 176.01 1xrd h ASP 9 N 5.69 0.62 -0.86 1.36 5.19 -1.97 -3.23 116.42 123.22 1xrd h ASP 9 Ca 0.23 -0.57 0.14 0.00 -0.62 0.00 0.00 57.03 56.21 1xrd h ASP 9 Cb 0.89 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 40.15 1xrd h ASP 9 CO 0.43 1.07 0.56 -0.65 -3.12 0.00 0.00 179.24 177.53 1xrd h PRO 10 N 0.19 0.65 0.04 3.56 0.11 -1.93 -1.12 132.00 133.51 1xrd h PRO 10 Ca -0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1xrd h PRO 10 Cb 0.99 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1xrd h PRO 10 CO 0.08 0.43 -0.03 -0.09 -0.21 0.00 0.00 178.00 178.18 1xrd h ARG 11 N 0.67 -0.07 -0.48 1.05 1.12 -1.98 0.78 114.38 115.46 1xrd h ARG 11 Ca 0.42 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 59.36 1xrd h ARG 11 Cb 0.69 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.61 1xrd h ARG 11 CO -0.18 -0.05 0.18 -0.56 -3.11 0.00 0.00 179.97 176.25 1xrd h GLN 12 N -0.07 0.34 -0.01 0.20 -0.00 -1.63 -0.38 115.11 113.56 1xrd h GLN 12 Ca -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1xrd h GLN 12 Cb 0.06 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 27.46 1xrd h GLN 12 CO 0.00 0.23 -0.11 0.00 -0.00 0.00 0.00 178.83 178.95 1xrd h ALA 13 N 1.32 1.80 -0.20 0.06 0.00 -1.19 -1.45 119.26 119.60 1xrd h ALA 13 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1xrd h ALA 13 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xrd h ALA 13 CO -0.23 0.15 -0.21 -0.07 0.00 0.00 0.00 179.25 178.89 1xrd h LEU 14 N 0.01 0.53 -1.27 0.00 3.38 0.22 -1.70 115.31 116.48 1xrd h LEU 14 Ca 0.00 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1xrd h LEU 14 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xrd h LEU 14 CO 0.01 0.90 -0.32 1.62 0.09 0.00 0.00 178.44 180.75 1xrd h VAL 15 N 0.16 0.94 0.18 1.22 3.04 -0.91 -0.34 116.25 120.53 1xrd h VAL 15 Ca 0.03 -1.21 -0.01 0.00 -1.01 0.00 0.00 66.70 64.50 1xrd h VAL 15 Cb 0.76 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1xrd h VAL 15 CO 0.05 0.31 -0.08 1.23 -1.01 0.00 0.00 177.57 178.07 1xrd h GLY 16 N 1.47 -0.25 0.94 3.17 0.00 -1.15 -1.76 103.07 105.49 1xrd h GLY 16 Ca -0.00 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xrd h GLY 16 CO 0.04 -0.09 0.10 0.17 0.00 0.00 0.00 176.54 176.77 1xrd h LEU 17 N -0.91 0.24 -1.26 3.11 8.10 -1.32 -1.62 115.31 121.66 1xrd h LEU 17 Ca -0.02 -0.09 0.04 0.00 0.11 0.00 0.00 57.88 57.92 1xrd h LEU 17 Cb 0.50 -0.06 -0.05 0.00 -0.44 0.00 0.00 40.66 40.61 1xrd h LEU 17 CO 0.04 0.26 0.52 0.00 -4.11 0.00 0.00 178.44 175.15 1xrd h ALA 18 N 0.99 1.55 0.35 0.17 0.00 -1.17 0.77 119.26 121.92 1xrd h ALA 18 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xrd h ALA 18 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xrd h ALA 18 CO -0.01 0.36 -0.17 1.15 0.00 0.00 0.00 179.25 180.58 1xrd h THR 19 N 0.95 0.60 -0.58 0.00 2.02 -0.94 0.20 112.91 115.16 1xrd h THR 19 Ca 0.32 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1xrd h THR 19 Cb 0.10 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1xrd h THR 19 CO -0.10 0.10 0.38 0.15 0.37 0.00 0.00 175.52 176.42 1xrd h PHE 20 N -0.82 0.71 0.51 3.16 3.57 -1.11 0.07 116.94 123.03 1xrd h PHE 20 Ca -0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1xrd h PHE 20 Cb 0.53 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.03 1xrd h PHE 20 CO 0.02 0.44 -0.25 1.25 -2.23 0.00 0.00 178.31 177.54 1xrd h LEU 21 N 0.76 -0.58 -0.52 0.59 6.46 -0.89 -1.18 115.31 119.95 1xrd h LEU 21 Ca 0.22 -0.06 0.10 0.00 -0.12 0.00 0.00 57.88 58.02 1xrd h LEU 21 Cb -0.06 0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 39.93 1xrd h LEU 21 CO -0.06 -0.20 -0.05 0.15 -0.62 0.00 0.00 178.44 177.65 1xrd h PHE 22 N -1.04 -0.13 0.02 1.25 3.57 -0.54 -0.28 116.94 119.79 1xrd h PHE 22 Ca -0.07 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1xrd h PHE 22 Cb 0.61 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1xrd h PHE 22 CO 0.01 -0.17 -0.01 -0.39 -2.23 0.00 0.00 178.31 175.52 1xrd h VAL 23 N 0.06 1.13 0.14 1.41 -1.51 -1.03 -0.94 116.25 115.52 1xrd h VAL 23 Ca 0.26 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1xrd h VAL 23 Cb 0.40 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 1xrd h VAL 23 CO -0.48 0.12 -0.25 0.25 -1.23 0.00 0.00 177.57 175.99 1xrd h LEU 24 N -0.24 -0.72 -2.24 4.19 5.85 -0.72 -0.49 115.31 120.93 1xrd h LEU 24 Ca -0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1xrd h LEU 24 Cb 0.23 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1xrd h LEU 24 CO 0.01 -0.29 0.25 0.00 -0.34 0.00 0.00 178.44 178.06 1xrd h ALA 25 N -1.20 1.57 0.24 1.25 0.00 -1.14 -1.28 119.26 118.70 1xrd h ALA 25 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xrd h ALA 25 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xrd h ALA 25 CO -0.09 -0.31 -0.12 -0.07 0.00 0.00 0.00 179.25 178.66 1xrd h LEU 26 N 0.00 -0.27 -0.25 0.00 -0.00 0.32 0.42 115.31 115.52 1xrd h LEU 26 Ca 0.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.73 1xrd h LEU 26 Cb 0.55 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 1xrd h LEU 26 CO -0.00 0.07 0.10 0.17 -0.00 0.00 0.00 178.44 178.78 1xrd h LEU 27 N -0.64 0.35 0.73 1.67 8.10 -0.16 0.27 115.31 125.63 1xrd h LEU 27 Ca -0.03 -0.16 -0.04 0.00 0.11 0.00 0.00 57.88 57.76 1xrd h LEU 27 Cb 0.45 -0.09 0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1xrd h LEU 27 CO 0.05 0.41 -0.35 0.40 -4.11 0.00 0.00 178.44 174.85 1xrd h ILE 28 N 0.26 0.00 -0.76 0.15 1.08 -1.39 -1.65 117.51 115.20 1xrd h ILE 28 Ca 0.08 -0.16 0.09 0.00 -0.39 0.00 0.00 64.86 64.49 1xrd h ILE 28 Cb 0.17 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.85 1xrd h ILE 28 CO -0.01 0.00 0.42 -0.74 -0.69 0.00 0.00 178.15 177.13 1xrd h HIS 29 N -1.13 0.75 -0.14 1.37 2.76 -0.21 -0.24 115.15 118.31 1xrd h HIS 29 Ca -0.10 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1xrd h HIS 29 Cb 0.75 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1xrd h HIS 29 CO 0.03 0.30 0.02 0.35 -1.30 0.00 0.00 177.93 177.32 1xrd h PHE 30 N 0.71 0.20 -0.05 5.26 3.04 -0.45 0.16 116.94 125.80 1xrd h PHE 30 Ca 0.37 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.26 1xrd h PHE 30 Cb 0.35 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1xrd h PHE 30 CO -0.08 0.20 -0.20 0.97 -2.02 0.00 0.00 178.31 177.18 1xrd h ILE 31 N 0.20 1.45 0.33 1.41 2.10 -0.07 -0.42 117.51 122.51 1xrd h ILE 31 Ca 0.05 -1.62 -0.02 0.00 1.08 0.00 0.00 64.86 64.35 1xrd h ILE 31 Cb 0.12 2.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 1xrd h ILE 31 CO 0.00 0.45 -0.16 -0.07 -1.08 0.00 0.00 178.15 177.29 1xrd h LEU 32 N -0.30 -0.37 -1.11 2.19 3.38 -1.01 -0.90 115.31 117.19 1xrd h LEU 32 Ca -0.01 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1xrd h LEU 32 Cb 0.84 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1xrd h LEU 32 CO 0.04 -0.08 0.61 0.25 0.09 0.00 0.00 178.44 179.35 1xrd h LEU 33 N -0.68 0.91 0.10 1.67 6.46 -0.80 0.14 115.31 123.11 1xrd h LEU 33 Ca -0.05 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1xrd h LEU 33 Cb 0.48 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1xrd h LEU 33 CO 0.07 0.55 -0.05 0.28 -0.62 0.00 0.00 178.44 178.67 1xrd h SER 34 N 1.01 -0.12 -0.65 1.25 0.02 -0.88 0.51 113.55 114.70 1xrd h SER 34 Ca 0.43 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1xrd h SER 34 Cb 0.32 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1xrd h SER 34 CO -0.19 -0.05 0.27 0.74 -1.14 0.00 0.00 176.83 176.46 1xrd h THR 35 N -0.17 1.23 -0.33 -2.27 2.02 -0.39 -1.26 112.91 111.74 1xrd h THR 35 Ca -0.01 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1xrd h THR 35 Cb 0.14 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1xrd h THR 35 CO 0.02 0.29 0.11 -0.08 0.37 0.00 0.00 175.52 176.24 1xrd h GLU 36 N 0.97 0.51 -0.52 6.66 4.81 -0.44 -1.63 114.58 124.95 1xrd h GLU 36 Ca 0.23 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1xrd h GLU 36 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1xrd h GLU 36 CO -0.02 0.53 0.10 -0.09 -0.73 0.00 0.00 179.01 178.81 1xrd h ARG 37 N 0.38 0.80 0.52 1.92 9.65 -0.63 0.44 114.38 127.47 1xrd h ARG 37 Ca 0.11 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1xrd h ARG 37 Cb 0.23 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1xrd h ARG 37 CO -0.00 0.74 -0.25 0.74 2.80 0.00 0.00 179.97 184.00 1xrd h PHE 38 N 0.77 -0.65 0.00 2.20 -1.00 -0.93 -1.73 116.94 115.61 1xrd h PHE 38 Ca 0.17 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1xrd h PHE 38 Cb 0.32 0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1xrd h PHE 38 CO 0.02 -0.40 0.00 -0.91 -1.61 0.00 0.00 178.31 175.41 1xrd h ASN 39 N -0.73 0.00 0.00 2.17 2.35 -1.29 0.27 115.58 118.34 1xrd h ASN 39 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1xrd h ASN 39 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1xrd h ASN 39 CO 0.12 0.00 0.00 1.87 -1.65 0.00 0.00 177.43 177.77 1xrd n TRP 40 N -2.78 0.00 0.26 1.19 -0.00 0.14 -1.05 117.44 115.20 1xrd n TRP 40 Ca -0.02 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 57.63 1xrd n TRP 40 Cb 0.07 -0.32 0.76 0.00 -0.00 0.00 0.00 31.31 31.82 1xrd n TRP 40 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 177.69 179.06 1xrd h LEU 41 N 0.00 0.00 0.08 5.87 8.10 -1.27 -2.37 115.31 125.72 1xrd h LEU 41 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1xrd h LEU 41 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1xrd h LEU 41 CO 0.00 0.00 -0.04 -0.33 -4.11 0.00 0.00 178.44 173.96 1xrd h GLU 42 N 0.00 -0.10 0.00 0.17 4.39 -0.46 -3.45 114.58 115.13 1xrd h GLU 42 Ca 0.00 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1xrd h GLU 42 Cb 0.12 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.71 1xrd h GLU 42 CO 0.00 -0.06 -0.17 0.41 -1.16 0.00 0.00 179.01 178.03 1xrd n GLY 43 N -0.34 0.37 3.62 -3.84 0.00 -0.76 -4.91 105.19 99.34 1xrd n GLY 43 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1xrd n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrd s ALA 44 N 0.03 3.13 0.00 4.61 0.00 -0.22 -0.46 121.76 128.85 1xrd s ALA 44 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1xrd s ALA 44 Cb 0.10 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1xrd s ALA 44 CO -0.03 -2.19 0.00 0.45 0.00 0.00 0.00 175.76 173.99 1xrd n SER 45 N 9.30 -1.66 0.00 0.00 2.88 -1.26 -4.84 113.62 118.03 1xrd n SER 45 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1xrd n SER 45 Cb 0.45 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 -3.59 0.00 -1.62 2.46 -2.24 -0.76 -5.16 114.28 103.36 1xrd n THR 46 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xrd n THR 46 Cb 0.32 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1xrd n THR 46 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xrd n LYS 47 N -2.18 -4.54 -1.48 -0.78 4.76 0.40 -4.69 118.16 109.64 1xrd n LYS 47 Ca 0.00 3.28 -0.48 0.00 -2.87 0.00 0.00 58.31 58.24 1xrd n LYS 47 Cb 0.00 -3.61 -0.06 0.00 -1.84 0.00 0.00 35.03 29.51 1xrd n LYS 47 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1xrd n PRO 48 N 0.37 1.23 -0.60 1.97 -0.02 -1.26 -4.67 135.00 132.02 1xrd n PRO 48 Ca 0.00 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1xrd n PRO 48 Cb 0.00 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 30.80 1xrd n PRO 48 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1xrd n VAL 49 N 7.38 0.00 -1.64 -1.45 3.14 -1.26 -5.01 118.33 119.49 1xrd n VAL 49 Ca 0.39 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.77 1xrd n VAL 49 Cb 0.29 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 1xrd n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xrd n GLN 50 N -2.56 -0.17 -2.75 1.45 6.02 -1.26 -5.03 117.38 113.08 1xrd n GLN 50 Ca 0.00 0.62 -0.40 0.00 -0.01 0.00 0.00 57.00 57.22 1xrd n GLN 50 Cb 0.27 -1.91 -0.06 0.00 1.02 0.00 0.00 30.24 29.56 1xrd n GLN 50 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1xrd s THR 51 N -2.23 4.11 0.00 5.09 -1.32 -1.26 -5.03 115.64 115.00 1xrd s THR 51 Ca 0.01 2.08 0.00 0.00 -1.21 0.00 0.00 61.69 62.57 1xrd s THR 51 Cb -0.00 -4.33 0.00 0.00 -1.51 0.00 0.00 72.50 66.66 1xrd s THR 51 CO 0.07 0.48 0.00 -1.20 -2.21 0.00 0.00 174.62 171.77