#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5j h THR 3 N 0.00 0.02 -0.82 0.44 2.02 -2.05 1.20 112.91 113.72 3i5j h THR 3 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 3i5j h THR 3 Cb 0.00 0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 66.31 3i5j h THR 3 CO 0.00 0.00 0.24 0.25 0.37 0.00 0.00 175.52 176.38 3i5j h LEU 4 N -0.84 0.08 -0.08 2.58 5.85 -2.05 -1.02 115.31 119.82 3i5j h LEU 4 Ca -0.02 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 3i5j h LEU 4 Cb 0.80 0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.04 3i5j h LEU 4 CO -0.20 -0.06 -0.57 0.00 -0.34 0.00 0.00 178.44 177.26 3i5j h ALA 5 N 1.68 0.18 -0.40 1.25 0.00 -1.81 -1.36 119.26 118.81 3i5j h ALA 5 Ca 0.49 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3i5j h ALA 5 Cb 0.90 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3i5j h ALA 5 CO -0.56 0.42 -0.05 -0.44 0.00 0.00 0.00 179.25 178.62 3i5j h ASP 6 N 0.13 -0.27 0.03 0.00 3.32 0.16 0.97 116.42 120.76 3i5j h ASP 6 Ca -0.05 0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 3i5j h ASP 6 Cb 1.23 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 3i5j h ASP 6 CO 0.12 -0.09 -0.41 1.56 -1.72 0.00 0.00 179.24 178.69 3i5j h GLN 7 N 0.05 0.49 -0.51 3.56 4.20 -1.13 -0.46 115.11 121.30 3i5j h GLN 7 Ca 0.19 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 3i5j h GLN 7 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3i5j h GLN 7 CO -0.37 0.82 -0.17 0.00 -0.67 0.00 0.00 178.83 178.44 3i5j h ALA 8 N 1.16 0.72 -0.42 3.87 0.00 -0.57 -3.23 119.26 120.79 3i5j h ALA 8 Ca 0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3i5j h ALA 8 Cb 0.89 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3i5j h ALA 8 CO 0.08 0.68 -0.03 1.25 0.00 0.00 0.00 179.25 181.22 3i5j h LEU 9 N 0.89 0.75 -6.31 0.00 5.85 -0.38 -3.35 115.31 112.76 3i5j h LEU 9 Ca 0.13 -0.32 -0.73 0.00 0.84 0.00 0.00 57.88 57.79 3i5j h LEU 9 Cb 0.75 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 3i5j h LEU 9 CO 0.06 0.89 2.57 1.41 -0.34 0.00 0.00 178.44 183.04 3i5j n HIS 10 N -4.39 3.36 -4.45 1.25 8.25 -0.22 -4.86 115.22 114.17 3i5j n HIS 10 Ca -0.01 -2.90 -0.22 0.00 -0.26 0.00 0.00 57.72 54.33 3i5j n HIS 10 Cb 0.31 -2.29 -0.10 0.00 1.12 0.00 0.00 29.99 29.03 3i5j n HIS 10 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i5j s ASN 11 N 2.22 3.11 -0.25 0.41 4.22 -1.26 -4.93 114.94 118.46 3i5j s ASN 11 Ca 0.44 -1.12 0.11 0.00 -2.14 0.00 0.00 52.86 50.14 3i5j s ASN 11 Cb 0.11 -0.23 0.45 0.00 1.28 0.00 0.00 41.25 42.86 3i5j s ASN 11 CO -0.04 -0.20 1.19 0.59 -2.04 0.00 0.00 177.10 176.61 3i5j n ASN 12 N -0.60 3.38 -4.72 3.54 4.13 -1.26 -4.66 115.26 115.07 3i5j n ASN 12 Ca -0.06 -3.54 -0.42 0.00 1.68 0.00 0.00 54.58 52.25 3i5j n ASN 12 Cb 0.62 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 3i5j n ASN 12 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3i5j s ASN 13 N -3.42 7.21 0.08 6.41 0.02 -1.26 -0.54 114.94 123.44 3i5j s ASN 13 Ca 0.44 1.95 0.02 0.00 -1.02 0.00 0.00 52.86 54.25 3i5j s ASN 13 Cb 0.39 -2.58 -0.03 0.00 0.02 0.00 0.00 41.25 39.04 3i5j s ASN 13 CO -0.01 -0.34 -0.08 0.68 0.02 0.00 0.00 177.10 177.37 3i5j s VAL 14 N 0.65 0.67 0.00 1.60 -7.23 -0.11 -4.40 120.40 111.59 3i5j s VAL 14 Ca 0.54 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3i5j s VAL 14 Cb -0.27 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.46 3i5j s VAL 14 CO 0.30 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 3i5j n GLY 15 N 0.65 2.47 3.81 2.32 0.00 0.04 -1.36 105.19 113.11 3i5j n GLY 15 Ca -0.17 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 3i5j n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i5j s PRO 16 N -1.83 4.10 -0.33 1.61 0.04 -1.17 -1.45 135.00 135.97 3i5j s PRO 16 Ca 0.00 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.18 3i5j s PRO 16 Cb 0.00 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.39 3i5j s PRO 16 CO 0.00 -0.16 0.12 0.42 0.04 0.00 0.00 177.00 177.42 3i5j s ILE 17 N -2.09 4.00 -0.25 0.56 1.09 0.13 -1.58 121.20 123.07 3i5j s ILE 17 Ca 0.63 -0.95 -0.10 0.00 -1.10 0.00 0.00 60.65 59.13 3i5j s ILE 17 Cb -0.12 -3.20 -0.05 0.00 -1.06 0.00 0.00 42.46 38.03 3i5j s ILE 17 CO 0.16 -0.12 0.16 -0.63 -0.10 0.00 0.00 174.94 174.41 3i5j s ILE 18 N 1.46 5.32 0.59 2.92 -1.09 -0.02 -1.28 121.20 129.10 3i5j s ILE 18 Ca 0.00 0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 58.41 3i5j s ILE 18 Cb -0.19 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 3i5j s ILE 18 CO 0.04 0.33 1.15 0.00 -1.23 0.00 0.00 174.94 175.22 3i5j s ARG 19 N 1.16 3.08 0.09 2.79 1.70 -0.37 -0.60 118.95 126.81 3i5j s ARG 19 Ca 0.07 1.62 -0.36 0.00 -0.47 0.00 0.00 55.73 56.59 3i5j s ARG 19 Cb -0.14 -1.97 -0.17 0.00 -0.57 0.00 0.00 34.95 32.10 3i5j s ARG 19 CO 0.05 -1.07 1.18 0.00 -1.08 0.00 0.00 175.30 174.39 3i5j n ALA 20 N -1.69 -1.82 0.00 7.88 0.00 0.14 -4.58 120.51 120.44 3i5j n ALA 20 Ca 0.12 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3i5j n ALA 20 Cb 0.51 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3i5j n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5j n GLY 21 N 2.08 -0.32 0.04 0.00 0.00 -1.26 -4.95 105.19 100.79 3i5j n GLY 21 Ca 0.18 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 45.07 3i5j n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i5j n ASP 22 N 0.46 0.15 0.03 1.61 3.85 -1.26 -3.11 116.55 118.27 3i5j n ASP 22 Ca 0.00 -0.47 0.11 0.00 -0.71 0.00 0.00 54.79 53.72 3i5j n ASP 22 Cb 0.00 -0.16 0.06 0.00 -1.35 0.00 0.00 41.12 39.67 3i5j n ASP 22 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3i5j n LEU 23 N -1.11 0.63 0.42 -2.12 7.99 -1.26 -4.51 117.00 117.04 3i5j n LEU 23 Ca 0.17 -0.01 -0.19 0.00 -0.01 0.00 0.00 56.01 55.97 3i5j n LEU 23 Cb 0.22 -0.12 -0.09 0.00 -0.11 0.00 0.00 43.42 43.32 3i5j n LEU 23 CO 0.22 0.05 0.61 0.58 -1.51 0.00 0.00 177.39 177.34 3i5j h VAL 24 N 0.00 0.21 -0.45 4.08 2.07 -1.79 -0.96 116.25 119.42 3i5j h VAL 24 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 3i5j h VAL 24 Cb 0.69 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3i5j h VAL 24 CO 0.00 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 177.03 3i5j h GLU 25 N -1.06 0.92 -0.83 1.57 4.39 -1.83 -2.22 114.58 115.51 3i5j h GLU 25 Ca -0.10 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.22 3i5j h GLU 25 Cb 0.82 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.39 3i5j h GLU 25 CO 0.16 1.04 0.55 -1.35 -1.16 0.00 0.00 179.01 178.26 3i5j h PRO 26 N 0.79 1.08 -0.25 2.33 0.11 -1.78 0.37 132.00 134.65 3i5j h PRO 26 Ca 0.10 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.01 3i5j h PRO 26 Cb 0.78 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 3i5j h PRO 26 CO 0.07 0.71 -0.40 0.28 -0.21 0.00 0.00 178.00 178.45 3i5j h VAL 27 N 1.11 1.31 -0.11 3.15 2.07 -0.89 0.15 116.25 123.04 3i5j h VAL 27 Ca 0.31 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.26 3i5j h VAL 27 Cb -0.11 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3i5j h VAL 27 CO -0.07 0.51 -0.07 0.40 0.02 0.00 0.00 177.57 178.36 3i5j h ILE 28 N 0.45 0.79 -0.49 4.57 2.04 -0.94 0.22 117.51 124.15 3i5j h ILE 28 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3i5j h ILE 28 Cb 0.99 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3i5j h ILE 28 CO 0.09 0.00 0.30 -0.33 0.00 0.00 0.00 178.15 178.22 3i5j h GLU 29 N -0.07 0.65 -0.64 2.37 5.08 -0.86 -2.08 114.58 119.03 3i5j h GLU 29 Ca 0.07 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3i5j h GLU 29 Cb 0.17 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3i5j h GLU 29 CO -0.15 0.46 0.40 1.15 -1.00 0.00 0.00 179.01 179.87 3i5j h THR 30 N 0.65 1.10 -0.70 1.13 2.02 -0.49 -1.91 112.91 114.72 3i5j h THR 30 Ca 0.18 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.14 3i5j h THR 30 Cb -0.04 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 3i5j h THR 30 CO -0.04 0.15 0.46 0.00 0.37 0.00 0.00 175.52 176.46 3i5j h ALA 31 N 1.27 1.73 -0.10 6.16 0.00 -0.24 -0.11 119.26 127.97 3i5j h ALA 31 Ca 0.25 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 3i5j h ALA 31 Cb -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i5j h ALA 31 CO -0.09 0.16 -0.80 0.93 0.00 0.00 0.00 179.25 179.45 3i5j h GLU 32 N 0.72 0.71 -0.13 0.00 5.08 -0.93 -2.98 114.58 117.04 3i5j h GLU 32 Ca 0.30 -0.63 -0.19 0.00 -1.00 0.00 0.00 59.36 57.84 3i5j h GLU 32 Cb 0.26 0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.67 3i5j h GLU 32 CO -0.10 1.24 -0.65 0.82 -1.00 0.00 0.00 179.01 179.32 3i5j h ILE 33 N 0.40 1.32 -0.01 3.13 2.04 -0.95 -3.25 117.51 120.19 3i5j h ILE 33 Ca -0.07 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.89 3i5j h ILE 33 Cb 1.44 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 3i5j h ILE 33 CO 0.16 0.59 -0.05 0.47 0.00 0.00 0.00 178.15 179.32 3i5j n ASP 34 N -4.07 0.63 -3.10 1.72 8.00 -0.09 -3.83 116.55 115.81 3i5j n ASP 34 Ca -0.08 -0.97 -0.22 0.00 0.71 0.00 0.00 54.79 54.23 3i5j n ASP 34 Cb 0.68 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 3i5j n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i5j n ASN 35 N -0.64 2.44 -4.74 -2.24 4.13 -1.13 -4.71 115.26 108.37 3i5j n ASN 35 Ca 0.19 -3.29 -0.37 0.00 1.68 0.00 0.00 54.58 52.78 3i5j n ASN 35 Cb 0.25 -0.60 0.05 0.00 -1.54 0.00 0.00 39.78 37.94 3i5j n ASN 35 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i5j s PRO 36 N -2.80 2.82 -1.55 3.52 0.04 -1.25 -1.47 135.00 134.32 3i5j s PRO 36 Ca 0.43 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3i5j s PRO 36 Cb 0.30 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.89 3i5j s PRO 36 CO -0.10 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 175.98 3i5j n GLY 37 N 0.73 -0.47 3.27 0.56 0.00 -1.26 -4.99 105.19 103.02 3i5j n GLY 37 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3i5j n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5j s LYS 38 N -5.03 1.35 0.06 1.61 1.02 -0.54 -5.12 119.74 113.09 3i5j s LYS 38 Ca 0.00 -1.01 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 3i5j s LYS 38 Cb 0.00 -1.51 -0.05 0.00 -0.52 0.00 0.00 37.83 35.75 3i5j s LYS 38 CO 0.00 0.38 0.89 -2.00 -0.92 0.00 0.00 175.35 173.69 3i5j s GLU 39 N -1.37 4.59 -0.20 1.68 2.12 -1.26 -4.99 118.70 119.27 3i5j s GLU 39 Ca 0.08 1.28 -0.08 0.00 0.36 0.00 0.00 54.97 56.61 3i5j s GLU 39 Cb -0.09 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 3i5j s GLU 39 CO 0.02 0.17 0.08 0.42 -0.54 0.00 0.00 175.26 175.42 3i5j s ILE 40 N 0.23 4.79 0.09 -3.70 -1.09 -1.26 -4.52 121.20 115.73 3i5j s ILE 40 Ca 0.45 -0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 3i5j s ILE 40 Cb -0.22 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 3i5j s ILE 40 CO 0.27 0.42 0.12 0.42 -1.23 0.00 0.00 174.94 174.93 3i5j s THR 41 N 0.73 4.69 -0.06 2.92 -4.23 0.45 -4.94 115.64 115.20 3i5j s THR 41 Ca 0.04 -0.76 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 3i5j s THR 41 Cb -0.13 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.44 3i5j s THR 41 CO 0.02 0.08 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.48 3i5j s VAL 42 N -1.48 0.39 -0.22 2.29 1.01 -1.26 -1.02 120.40 120.12 3i5j s VAL 42 Ca 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 3i5j s VAL 42 Cb -0.12 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.79 3i5j s VAL 42 CO 0.23 0.23 -0.11 -1.61 0.00 0.00 0.00 175.10 173.84 3i5j s GLU 43 N 1.48 2.96 -0.36 2.72 2.02 -0.07 -4.97 118.70 122.48 3i5j s GLU 43 Ca -0.03 -0.88 -0.19 0.00 0.02 0.00 0.00 54.97 53.90 3i5j s GLU 43 Cb -0.13 -2.83 -0.00 0.00 0.10 0.00 0.00 34.13 31.27 3i5j s GLU 43 CO -0.03 -0.30 0.56 0.34 0.02 0.00 0.00 175.26 175.85 3i5j s ASP 44 N 1.33 6.35 -0.16 -0.19 3.68 -1.26 -1.10 116.67 125.31 3i5j s ASP 44 Ca 0.02 0.00 0.17 0.00 2.13 0.00 0.00 52.55 54.87 3i5j s ASP 44 Cb -0.15 -2.29 0.48 0.00 -1.45 0.00 0.00 42.92 39.51 3i5j s ASP 44 CO -0.07 -0.53 1.37 0.54 0.13 0.00 0.00 175.17 176.60 3i5j n ARG 45 N 5.85 2.64 0.00 4.34 5.12 0.23 -5.01 116.66 129.84 3i5j n ARG 45 Ca -0.04 -2.76 0.00 0.00 -1.93 0.00 0.00 57.85 53.12 3i5j n ARG 45 Cb 0.49 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 3i5j n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i5j n ARG 46 N -0.64 0.00 0.24 5.56 0.63 -1.26 -4.01 116.66 117.18 3i5j n ARG 46 Ca 0.20 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.27 3i5j n ARG 46 Cb 0.83 0.00 0.38 0.00 0.45 0.00 0.00 32.46 34.12 3i5j n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i5j h ALA 47 N 0.00 0.99 -2.83 5.13 0.00 -1.96 -3.40 119.26 117.19 3i5j h ALA 47 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i5j h ALA 47 Cb 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 3i5j h ALA 47 CO 0.00 0.03 -0.02 1.52 0.00 0.00 0.00 179.25 180.78 3i5j s TYR 48 N -3.40 -0.10 -0.06 0.00 -0.85 -1.26 -0.68 117.35 111.00 3i5j s TYR 48 Ca 0.04 -0.23 0.03 0.00 -0.52 0.00 0.00 57.07 56.39 3i5j s TYR 48 Cb 0.07 0.33 0.01 0.00 0.38 0.00 0.00 41.96 42.75 3i5j s TYR 48 CO 0.62 -0.85 -0.14 0.08 -1.52 0.00 0.00 175.55 173.74 3i5j s VAL 49 N -3.86 1.24 -0.39 -3.49 1.01 0.23 -0.60 120.40 114.54 3i5j s VAL 49 Ca 0.08 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 3i5j s VAL 49 Cb -0.00 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3i5j s VAL 49 CO -0.05 0.37 0.46 -0.60 0.00 0.00 0.00 175.10 175.29 3i5j s ARG 50 N 0.50 3.33 -0.15 2.72 3.52 -0.26 -0.84 118.95 127.77 3i5j s ARG 50 Ca -0.12 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 3i5j s ARG 50 Cb -0.15 -3.90 -0.02 0.00 -1.56 0.00 0.00 34.95 29.33 3i5j s ARG 50 CO 0.04 -0.76 -0.10 0.42 -0.81 0.00 0.00 175.30 174.09 3i5j s ILE 51 N 2.25 3.26 0.05 4.11 1.01 -0.62 -0.90 121.20 130.37 3i5j s ILE 51 Ca 0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3i5j s ILE 51 Cb -0.16 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3i5j s ILE 51 CO 0.14 0.51 0.06 0.00 0.00 0.00 0.00 174.94 175.65 3i5j s ALA 52 N 0.48 0.10 0.26 9.38 0.00 -0.19 -3.01 121.76 128.79 3i5j s ALA 52 Ca -0.07 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3i5j s ALA 52 Cb -0.15 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3i5j s ALA 52 CO 0.04 -0.36 0.18 0.00 0.00 0.00 0.00 175.76 175.61 3i5j s ALA 53 N -3.20 1.56 -0.25 0.00 0.00 -0.46 -0.41 121.76 119.00 3i5j s ALA 53 Ca 0.00 -1.82 -0.28 0.00 0.00 0.00 0.00 51.96 49.86 3i5j s ALA 53 Cb 0.02 1.35 0.01 0.00 0.00 0.00 0.00 23.12 24.50 3i5j s ALA 53 CO -0.07 -0.59 0.99 -1.21 0.00 0.00 0.00 175.76 174.88 3i5j s GLU 54 N -3.88 4.21 0.00 0.00 0.41 -1.26 -0.94 118.70 117.24 3i5j s GLU 54 Ca 0.39 1.21 0.00 0.00 -0.41 0.00 0.00 54.97 56.16 3i5j s GLU 54 Cb 0.05 -3.66 0.00 0.00 -1.78 0.00 0.00 34.13 28.75 3i5j s GLU 54 CO 0.18 -0.65 0.00 0.41 -0.49 0.00 0.00 175.26 174.71 3i5j n GLY 55 N 3.51 1.36 3.47 -1.39 0.00 0.30 -4.80 105.19 107.65 3i5j n GLY 55 Ca 0.10 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3i5j n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i5j s GLU 56 N 0.00 0.76 -0.12 1.61 2.12 -1.26 -2.11 118.70 119.70 3i5j s GLU 56 Ca 0.00 0.62 -0.04 0.00 0.36 0.00 0.00 54.97 55.91 3i5j s GLU 56 Cb 0.00 0.36 0.06 0.00 0.26 0.00 0.00 34.13 34.81 3i5j s GLU 56 CO 0.00 -0.14 0.17 -1.17 -0.54 0.00 0.00 175.26 173.58 3i5j s LEU 57 N -0.13 -0.06 -0.14 2.70 0.20 -0.15 -4.76 118.68 116.33 3i5j s LEU 57 Ca -0.03 0.13 -0.08 0.00 0.69 0.00 0.00 54.13 54.83 3i5j s LEU 57 Cb -0.03 0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.96 3i5j s LEU 57 CO 0.03 -0.27 0.15 -0.63 -0.29 0.00 0.00 176.35 175.33 3i5j s ILE 58 N 2.29 5.46 -0.25 6.68 1.01 -1.26 -0.48 121.20 134.65 3i5j s ILE 58 Ca 0.04 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3i5j s ILE 58 Cb -0.13 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.94 3i5j s ILE 58 CO -0.08 0.55 -0.09 -0.76 0.00 0.00 0.00 174.94 174.57 3i5j s LEU 59 N -0.52 3.24 0.14 2.97 1.43 -0.03 -4.63 118.68 121.29 3i5j s LEU 59 Ca 0.13 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.00 3i5j s LEU 59 Cb -0.12 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 3i5j s LEU 59 CO 0.02 -0.15 0.54 0.42 0.23 0.00 0.00 176.35 177.41 3i5j s THR 60 N 1.23 4.86 0.18 5.49 -4.23 -1.26 -0.80 115.64 121.10 3i5j s THR 60 Ca -0.03 0.83 -0.14 0.00 -1.18 0.00 0.00 61.69 61.17 3i5j s THR 60 Cb -0.18 -3.74 0.07 0.00 1.34 0.00 0.00 72.50 70.00 3i5j s THR 60 CO -0.05 0.26 1.75 -0.09 -0.54 0.00 0.00 174.62 175.94 3i5j h ARG 61 N 3.61 0.33 -0.53 3.99 2.43 -1.02 -0.99 114.38 122.19 3i5j h ARG 61 Ca -0.49 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3i5j h ARG 61 Cb 1.19 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3i5j h ARG 61 CO 0.66 0.22 0.33 -0.22 -1.51 0.00 0.00 179.97 179.44 3i5j h LYS 62 N 0.34 0.72 -0.45 0.20 3.64 -1.93 0.15 116.57 119.23 3i5j h LYS 62 Ca 0.22 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3i5j h LYS 62 Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3i5j h LYS 62 CO -0.22 0.51 -0.09 1.15 -2.27 0.00 0.00 179.45 178.53 3i5j h THR 63 N 0.72 1.27 -0.87 1.00 2.02 -1.88 -1.97 112.91 113.20 3i5j h THR 63 Ca 0.19 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 3i5j h THR 63 Cb -0.03 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3i5j h THR 63 CO -0.04 0.41 0.43 0.25 0.37 0.00 0.00 175.52 176.95 3i5j h LEU 64 N 0.70 1.12 -0.61 2.58 5.85 -0.90 0.24 115.31 124.29 3i5j h LEU 64 Ca 0.12 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i5j h LEU 64 Cb 0.62 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3i5j h LEU 64 CO 0.04 0.93 0.37 -0.08 -0.34 0.00 0.00 178.44 179.36 3i5j h GLU 65 N 1.23 0.83 -0.54 1.25 4.81 -0.56 0.16 114.58 121.76 3i5j h GLU 65 Ca 0.30 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3i5j h GLU 65 Cb 0.09 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3i5j h GLU 65 CO -0.04 0.59 0.13 1.49 -0.73 0.00 0.00 179.01 180.46 3i5j h GLU 66 N 0.83 0.82 0.08 1.92 4.81 -0.52 -1.08 114.58 121.43 3i5j h GLU 66 Ca 0.22 -0.16 -0.26 0.00 -0.13 0.00 0.00 59.36 59.03 3i5j h GLU 66 Cb -0.02 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.24 3i5j h GLU 66 CO -0.04 0.73 -1.13 1.96 -0.73 0.00 0.00 179.01 179.80 3i5j h GLN 67 N 0.79 0.40 -0.39 1.92 1.08 -0.72 -3.16 115.11 115.03 3i5j h GLN 67 Ca 0.18 -0.54 -0.10 0.00 -1.45 0.00 0.00 58.65 56.73 3i5j h GLN 67 Cb 0.28 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3i5j h GLN 67 CO -0.00 1.21 -0.17 1.25 -0.95 0.00 0.00 178.83 180.17 3i5j h LEU 68 N 0.18 0.72 0.00 1.46 5.85 -0.96 -3.43 115.31 119.13 3i5j h LEU 68 Ca -0.13 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3i5j h LEU 68 Cb 1.81 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.64 3i5j h LEU 68 CO 0.20 0.89 0.00 0.61 -0.34 0.00 0.00 178.44 179.80 3i5j n GLY 69 N -0.38 0.51 3.26 3.75 0.00 -0.41 -5.05 105.19 106.87 3i5j n GLY 69 Ca 0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 3i5j n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i5j s ARG 70 N -1.41 0.91 0.30 1.61 1.70 -1.23 -5.07 118.95 115.77 3i5j s ARG 70 Ca 0.00 -0.72 -0.29 0.00 -0.47 0.00 0.00 55.73 54.25 3i5j s ARG 70 Cb 0.00 0.39 -0.13 0.00 -0.57 0.00 0.00 34.95 34.64 3i5j s ARG 70 CO 0.00 -0.32 1.26 -2.30 -1.08 0.00 0.00 175.30 172.86 3i5j n PRO 71 N 0.10 1.92 -3.70 3.89 -0.02 -1.26 -4.75 135.00 131.17 3i5j n PRO 71 Ca -0.17 0.68 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3i5j n PRO 71 Cb 0.62 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 3i5j n PRO 71 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i5j s PHE 72 N -0.80 -0.47 -0.11 6.00 5.36 -1.26 -5.08 117.98 121.63 3i5j s PHE 72 Ca 0.60 1.03 -0.05 0.00 -0.96 0.00 0.00 56.93 57.55 3i5j s PHE 72 Cb -0.62 0.12 -0.04 0.00 -0.34 0.00 0.00 43.02 42.13 3i5j s PHE 72 CO 0.58 -0.31 0.09 -0.80 -1.46 0.00 0.00 175.22 173.32 3i5j s ASN 73 N 1.65 5.96 0.26 6.13 0.01 -1.26 -4.86 114.94 122.82 3i5j s ASN 73 Ca -0.07 0.35 -0.04 0.00 -0.71 0.00 0.00 52.86 52.39 3i5j s ASN 73 Cb -0.10 -1.84 0.34 0.00 0.41 0.00 0.00 41.25 40.05 3i5j s ASN 73 CO -0.10 0.40 1.90 -0.03 -1.51 0.00 0.00 177.10 177.76 3i5j h MET 74 N 5.03 1.21 -0.30 -0.60 4.05 -1.89 -1.57 114.93 120.87 3i5j h MET 74 Ca -0.53 -0.07 0.09 0.00 -0.28 0.00 0.00 59.70 58.90 3i5j h MET 74 Cb 1.22 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 3i5j h MET 74 CO 0.57 0.80 0.27 0.37 0.23 0.00 0.00 176.91 179.15 3i5j h GLN 75 N 1.25 0.00 0.00 0.39 5.75 -1.91 -1.61 115.11 118.98 3i5j h GLN 75 Ca 0.40 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 3i5j h GLN 75 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 3i5j h GLN 75 CO -0.13 0.00 0.00 0.93 -2.65 0.00 0.00 178.83 176.98 3i5j h GLU 76 N 0.00 0.00 -0.25 1.69 5.08 -1.70 -2.74 114.58 116.66 3i5j h GLU 76 Ca 0.14 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3i5j h GLU 76 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3i5j h GLU 76 CO -0.00 0.00 0.21 1.25 -1.00 0.00 0.00 179.01 179.47 3i5j h LEU 77 N 0.00 0.00 -1.99 1.33 5.85 -1.43 -1.43 115.31 117.63 3i5j h LEU 77 Ca 0.00 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.90 3i5j h LEU 77 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3i5j h LEU 77 CO 0.00 0.00 0.49 -0.08 -0.34 0.00 0.00 178.44 178.51 3i5j h GLU 78 N 0.00 0.00 -0.01 1.25 4.81 -1.71 0.70 114.58 119.62 3i5j h GLU 78 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3i5j h GLU 78 Cb 0.54 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3i5j h GLU 78 CO -0.00 0.00 0.00 0.82 -0.73 0.00 0.00 179.01 179.10 3i5j h ILE 79 N 0.00 0.83 0.00 2.32 2.04 -1.50 -3.22 117.51 117.97 3i5j h ILE 79 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 3i5j h ILE 79 Cb 1.28 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3i5j h ILE 79 CO -0.00 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.74 3i5j n ASN 80 N -4.29 0.89 -4.48 1.72 3.02 0.03 -4.93 115.26 107.23 3i5j n ASN 80 Ca -0.03 -1.06 -0.43 0.00 -0.03 0.00 0.00 54.58 53.03 3i5j n ASN 80 Cb 0.09 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 3i5j n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3i5j s LEU 81 N -0.06 4.65 0.22 3.41 2.96 -0.03 -1.24 118.68 128.60 3i5j s LEU 81 Ca 0.00 -1.83 0.12 0.00 -0.22 0.00 0.00 54.13 52.20 3i5j s LEU 81 Cb 0.00 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 3i5j s LEU 81 CO 0.00 -1.19 1.39 0.00 -1.32 0.00 0.00 176.35 175.22 3i5j h ALA 82 N 9.11 0.56 -2.32 5.97 0.00 -1.51 -3.47 119.26 127.59 3i5j h ALA 82 Ca 0.13 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.48 3i5j h ALA 82 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3i5j h ALA 82 CO 1.18 0.86 0.31 0.45 0.00 0.00 0.00 179.25 182.05 3i5j n SER 83 N -3.28 -1.20 -3.51 0.00 2.88 -1.10 -5.01 113.62 102.41 3i5j n SER 83 Ca 0.01 -1.70 -0.13 0.00 -1.33 0.00 0.00 58.87 55.72 3i5j n SER 83 Cb 0.81 1.97 -0.04 0.00 -0.75 0.00 0.00 64.21 66.19 3i5j n SER 83 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3i5j s PHE 84 N -3.92 -0.50 -0.02 0.66 -0.12 -1.26 -0.69 117.98 112.13 3i5j s PHE 84 Ca 0.13 0.66 -0.02 0.00 -0.05 0.00 0.00 56.93 57.65 3i5j s PHE 84 Cb -0.02 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 3i5j s PHE 84 CO 0.05 -0.58 0.13 0.00 -0.05 0.00 0.00 175.22 174.77 3i5j s ALA 85 N -2.07 3.78 0.00 1.99 0.00 -0.53 -4.94 121.76 120.00 3i5j s ALA 85 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3i5j s ALA 85 Cb -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3i5j s ALA 85 CO -0.01 0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.87 3i5j n GLY 86 N 1.21 1.25 3.81 0.00 0.00 -1.26 -0.78 105.19 109.42 3i5j n GLY 86 Ca -0.13 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 3i5j n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i5j s GLN 87 N -2.46 3.36 -0.06 1.61 -0.21 0.78 -4.72 119.66 117.98 3i5j s GLN 87 Ca 0.00 1.14 0.05 0.00 0.02 0.00 0.00 55.36 56.58 3i5j s GLN 87 Cb 0.00 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.95 3i5j s GLN 87 CO 0.00 -0.77 -0.22 -1.50 -2.12 0.00 0.00 175.29 170.68 3i5j s ILE 88 N -2.54 2.34 -0.06 1.08 2.07 -1.26 -0.60 121.20 122.23 3i5j s ILE 88 Ca 0.62 -0.97 0.02 0.00 -1.41 0.00 0.00 60.65 58.91 3i5j s ILE 88 Cb -0.15 -1.87 0.01 0.00 0.13 0.00 0.00 42.46 40.58 3i5j s ILE 88 CO 0.38 0.57 -0.12 0.00 -1.91 0.00 0.00 174.94 173.87 3i5j s GLN 89 N -0.31 1.59 -0.02 3.50 -2.07 0.34 -5.00 119.66 117.69 3i5j s GLN 89 Ca 0.01 -0.40 0.05 0.00 -1.82 0.00 0.00 55.36 53.20 3i5j s GLN 89 Cb -0.13 -1.34 -0.01 0.00 -1.09 0.00 0.00 33.01 30.45 3i5j s GLN 89 CO 0.02 0.04 -0.16 0.00 -1.32 0.00 0.00 175.29 173.87 3i5j s ALA 90 N 0.61 1.36 0.00 2.60 0.00 -1.26 -0.75 121.76 124.31 3i5j s ALA 90 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3i5j s ALA 90 Cb -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3i5j s ALA 90 CO 0.03 0.30 0.00 -0.40 0.00 0.00 0.00 175.76 175.69 3i5j n ASP 91 N 2.86 0.00 0.23 0.00 5.75 0.23 -5.01 116.55 120.61 3i5j n ASP 91 Ca -0.16 -0.70 0.16 0.00 -0.01 0.00 0.00 54.79 54.08 3i5j n ASP 91 Cb 0.54 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.22 3i5j n ASP 91 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3i5j h GLU 92 N 0.00 0.00 0.00 0.11 4.11 -2.00 -3.23 114.58 113.57 3i5j h GLU 92 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 3i5j h GLU 92 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3i5j h GLU 92 CO 0.00 0.00 -1.93 -0.25 0.07 0.00 0.00 179.01 176.90 3i5j n ASP 93 N -2.86 0.93 -3.69 3.06 8.00 -1.26 -4.41 116.55 116.32 3i5j n ASP 93 Ca 0.01 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.47 3i5j n ASP 93 Cb 0.31 1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 42.88 3i5j n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i5j s GLN 94 N -2.93 1.02 -0.07 -1.24 -2.07 -1.22 -0.38 119.66 112.77 3i5j s GLN 94 Ca -0.07 -0.53 0.03 0.00 -1.82 0.00 0.00 55.36 52.97 3i5j s GLN 94 Cb 0.09 0.37 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 3i5j s GLN 94 CO 0.72 -0.46 -0.15 -1.50 -1.32 0.00 0.00 175.29 172.57 3i5j s ILE 95 N -3.14 1.37 -0.19 3.63 2.07 0.02 -0.60 121.20 124.35 3i5j s ILE 95 Ca 0.11 -0.63 -0.03 0.00 -1.41 0.00 0.00 60.65 58.69 3i5j s ILE 95 Cb -0.01 -1.21 -0.01 0.00 0.13 0.00 0.00 42.46 41.35 3i5j s ILE 95 CO -0.01 0.40 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.77 3i5j s ARG 96 N 0.47 3.46 -0.18 3.50 3.52 0.07 -0.85 118.95 128.95 3i5j s ARG 96 Ca -0.13 -0.61 -0.09 0.00 -0.13 0.00 0.00 55.73 54.78 3i5j s ARG 96 Cb -0.15 -2.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 3i5j s ARG 96 CO 0.04 -0.01 0.12 -0.06 -0.81 0.00 0.00 175.30 174.58 3i5j s PHE 97 N 1.00 3.41 0.14 5.12 0.40 0.37 -0.50 117.98 127.92 3i5j s PHE 97 Ca 0.00 0.32 -0.24 0.00 -0.60 0.00 0.00 56.93 56.42 3i5j s PHE 97 Cb -0.15 -2.10 0.07 0.00 0.51 0.00 0.00 43.02 41.36 3i5j s PHE 97 CO 0.00 0.36 0.64 1.52 0.70 0.00 0.00 175.22 178.44 3i5j s TYR 98 N 0.08 -0.51 0.06 0.36 -0.85 0.23 -0.97 117.35 115.75 3i5j s TYR 98 Ca 0.09 0.30 0.08 0.00 -0.52 0.00 0.00 57.07 57.02 3i5j s TYR 98 Cb -0.11 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 3i5j s TYR 98 CO -0.00 -0.82 -0.20 -0.06 -1.52 0.00 0.00 175.55 172.95 3i5j s PHE 99 N -3.67 2.50 0.15 -3.49 0.08 -0.90 -0.15 117.98 112.50 3i5j s PHE 99 Ca 0.02 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 3i5j s PHE 99 Cb -0.01 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 3i5j s PHE 99 CO -0.12 0.26 1.35 -0.44 -0.10 0.00 0.00 175.22 176.17 3i5j h ASP 100 N 4.39 0.38 -1.91 1.36 3.32 -1.99 -3.47 116.42 118.49 3i5j h ASP 100 Ca -0.48 -0.30 -0.49 0.00 0.02 0.00 0.00 57.03 55.77 3i5j h ASP 100 Cb 1.16 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 3i5j h ASP 100 CO 0.46 1.10 -0.46 -0.54 -1.72 0.00 0.00 179.24 178.08 3i5j s LYS 101 N -3.25 2.78 -0.29 3.56 1.02 -1.26 -5.10 119.74 117.21 3i5j s LYS 101 Ca -0.04 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 54.72 3i5j s LYS 101 Cb 0.10 -2.51 0.06 0.00 -0.52 0.00 0.00 37.83 34.96 3i5j s LYS 101 CO 0.84 0.15 -0.04 0.99 -0.92 0.00 0.00 175.35 176.38 3i5j s THR 102 N -2.27 2.53 -2.62 2.17 2.01 -1.26 -5.03 115.64 111.17 3i5j s THR 102 Ca 0.39 -1.63 0.27 0.00 0.31 0.00 0.00 61.69 61.03 3i5j s THR 102 Cb -0.06 -2.52 0.46 0.00 0.01 0.00 0.00 72.50 70.38 3i5j s THR 102 CO 0.26 -0.14 1.62 0.23 -0.69 0.00 0.00 174.62 175.91