#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orl n GLU -4 N 0.00 0.58 -2.89 -2.82 0.00 -1.26 -5.13 120.64 109.13 2orl n GLU -4 Ca 0.00 -2.20 -0.42 0.00 0.00 0.00 0.00 57.16 54.54 2orl n GLU -4 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 31.44 29.93 2orl n GLU -4 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2orl s PHE -3 N 0.51 3.36 -0.19 4.31 5.36 -1.26 -4.80 117.98 125.27 2orl s PHE -3 Ca 0.32 1.19 -0.01 0.00 -0.96 0.00 0.00 56.93 57.47 2orl s PHE -3 Cb 0.09 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.74 2orl s PHE -3 CO -0.14 -0.34 -0.13 0.15 -1.46 0.00 0.00 175.22 173.31 2orl s LYS -2 N 2.57 3.21 0.42 10.12 1.02 -1.26 -5.10 119.74 130.71 2orl s LYS -2 Ca 0.36 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 55.38 2orl s LYS -2 Cb -0.16 -2.75 -0.10 0.00 -0.52 0.00 0.00 37.83 34.30 2orl s LYS -2 CO 0.09 -0.14 1.19 0.00 -0.92 0.00 0.00 175.35 175.57 2orl n ALA -1 N 4.52 0.93 -2.55 5.17 0.00 -1.26 -4.15 120.51 123.17 2orl n ALA -1 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2orl n ALA -1 Cb 0.51 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2orl n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2orl n GLY 1 N 0.93 3.71 3.56 0.00 0.00 -1.26 -4.85 105.19 107.27 2orl n GLY 1 Ca 0.08 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 2orl n GLY 1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2orl s SER 2 N 0.10 -0.51 0.32 1.61 0.01 -1.26 -4.99 113.70 108.98 2orl s SER 2 Ca 0.00 0.59 0.08 0.00 1.31 0.00 0.00 55.95 57.93 2orl s SER 2 Cb 0.00 0.47 0.81 0.00 0.21 0.00 0.00 66.02 67.51 2orl s SER 2 CO 0.00 -0.45 1.78 0.00 0.41 0.00 0.00 173.24 174.98 2orl h ALA 3 N 2.89 1.77 0.00 1.44 0.00 -1.90 -0.92 119.26 122.55 2orl h ALA 3 Ca -0.23 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2orl h ALA 3 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2orl h ALA 3 CO 0.33 -0.15 0.00 1.17 0.00 0.00 0.00 179.25 180.60 2orl n LYS 4 N -4.75 0.89 0.00 0.00 4.81 -1.26 -2.81 118.16 115.05 2orl n LYS 4 Ca 0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.64 2orl n LYS 4 Cb 0.62 -1.34 -0.01 0.00 0.02 0.00 0.00 35.03 34.32 2orl n LYS 4 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2orl n LYS 5 N -0.84 0.10 0.21 1.64 5.02 -0.40 -4.64 118.16 119.25 2orl n LYS 5 Ca 0.15 0.04 0.16 0.00 -2.02 0.00 0.00 58.31 56.64 2orl n LYS 5 Cb 0.07 -0.68 0.80 0.00 -0.02 0.00 0.00 35.03 35.20 2orl n LYS 5 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2orl h GLY 6 N -0.19 0.00 0.93 0.72 0.00 -1.54 -2.61 103.07 100.38 2orl h GLY 6 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2orl h GLY 6 CO -0.04 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.60 2orl h ALA 7 N 1.85 0.24 -1.02 3.60 0.00 -1.76 -2.84 119.26 119.33 2orl h ALA 7 Ca 0.07 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.17 2orl h ALA 7 Cb 0.37 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 2orl h ALA 7 CO -0.00 -0.21 0.65 1.79 0.00 0.00 0.00 179.25 181.48 2orl h THR 8 N 0.19 0.55 0.00 0.00 1.35 -1.72 -0.86 112.91 112.42 2orl h THR 8 Ca 0.07 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2orl h THR 8 Cb 0.09 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.58 2orl h THR 8 CO -0.01 0.08 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 2orl n LEU 9 N -4.66 1.10 -0.33 3.87 7.99 -1.08 -3.50 117.00 120.40 2orl n LEU 9 Ca 0.25 0.30 0.32 0.00 -0.01 0.00 0.00 56.01 56.87 2orl n LEU 9 Cb 0.82 0.00 0.59 0.00 -0.11 0.00 0.00 43.42 44.72 2orl n LEU 9 CO 0.25 0.00 1.05 0.33 -1.51 0.00 0.00 177.39 177.51 2orl n PHE 10 N -0.48 1.11 0.27 -1.77 -0.00 -1.17 -0.14 117.46 115.27 2orl n PHE 10 Ca 0.00 1.12 0.14 0.00 -0.00 0.00 0.00 57.45 58.70 2orl n PHE 10 Cb 0.00 -1.52 0.66 0.00 -0.00 0.00 0.00 39.48 38.62 2orl n PHE 10 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2orl h LYS 11 N 0.00 0.00 0.00 -4.13 3.64 -1.24 0.24 116.57 115.08 2orl h LYS 11 Ca 0.84 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 60.09 2orl h LYS 11 Cb 2.26 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 33.82 2orl h LYS 11 CO -0.73 0.00 -0.83 -2.37 -2.27 0.00 0.00 179.45 173.25 2orl n THR 12 N -2.45 0.00 0.00 1.00 5.66 0.80 -4.50 114.28 114.79 2orl n THR 12 Ca -0.00 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 2orl n THR 12 Cb 0.12 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 2orl n THR 12 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2orl n ARG 13 N 0.32 1.46 0.00 1.09 5.12 -0.78 -4.95 116.66 118.93 2orl n ARG 13 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2orl n ARG 13 Cb 0.99 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 2orl n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2orl h LEU 15 N 0.00 0.77 -1.39 0.00 5.85 -0.88 -1.87 115.31 117.79 2orl h LEU 15 Ca 0.00 0.10 0.48 0.00 0.84 0.00 0.00 57.88 59.30 2orl h LEU 15 Cb 0.60 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.45 2orl h LEU 15 CO 0.00 0.26 0.88 0.06 -0.34 0.00 0.00 178.44 179.30 2orl h GLN 16 N 0.74 0.01 0.00 1.25 3.07 -1.86 -3.16 115.11 115.16 2orl h GLN 16 Ca 0.58 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.32 2orl h GLN 16 Cb 0.94 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.50 2orl h GLN 16 CO -0.38 0.00 -0.73 0.00 0.09 0.00 0.00 178.83 177.81 2orl n HIS 18 N -1.82 -2.76 -3.71 0.00 8.25 -0.73 -1.27 115.22 113.18 2orl n HIS 18 Ca 0.00 -1.43 -0.19 0.00 -0.26 0.00 0.00 57.72 55.84 2orl n HIS 18 Cb 0.37 -0.47 -0.17 0.00 1.12 0.00 0.00 29.99 30.83 2orl n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2orl s THR 19 N -1.94 -0.07 -0.39 1.59 -4.23 -1.26 -4.56 115.64 104.78 2orl s THR 19 Ca 0.47 0.36 0.22 0.00 -1.18 0.00 0.00 61.69 61.56 2orl s THR 19 Cb -0.03 -0.15 0.30 0.00 1.34 0.00 0.00 72.50 73.96 2orl s THR 19 CO 0.31 0.16 1.60 1.62 -0.54 0.00 0.00 174.62 177.76 2orl h VAL 20 N 6.39 0.12 -5.00 2.29 3.04 -1.96 -2.86 116.25 118.28 2orl h VAL 20 Ca -0.22 -1.15 -0.46 0.00 -1.01 0.00 0.00 66.70 63.85 2orl h VAL 20 Cb 1.12 2.05 -0.07 0.00 -2.01 0.00 0.00 31.29 32.38 2orl h VAL 20 CO 0.25 0.07 -0.30 -1.84 -1.01 0.00 0.00 177.57 174.74 2orl n GLU 21 N -3.12 1.02 -0.85 4.17 -0.00 -1.26 -4.17 120.64 116.43 2orl n GLU 21 Ca 0.04 -2.65 0.03 0.00 -0.00 0.00 0.00 57.16 54.58 2orl n GLU 21 Cb 0.55 0.56 0.35 0.00 -0.00 0.00 0.00 31.44 32.90 2orl n GLU 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2orl n LYS 22 N -1.13 4.13 -0.03 3.44 5.02 -1.26 -4.45 118.16 123.88 2orl n LYS 22 Ca -0.10 -3.09 0.02 0.00 -2.02 0.00 0.00 58.31 53.12 2orl n LYS 22 Cb 0.47 -2.17 -0.14 0.00 -0.02 0.00 0.00 35.03 33.17 2orl n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2orl n GLY 23 N 0.14 -1.06 3.69 0.72 0.00 -1.26 -4.92 105.19 102.49 2orl n GLY 23 Ca 0.31 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2orl n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2orl s GLY 24 N -4.88 2.29 0.85 -0.02 0.00 -1.26 -5.07 107.32 99.24 2orl s GLY 24 Ca -0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 2orl s GLY 24 CO 0.86 1.26 1.15 2.56 0.00 0.00 0.00 173.10 178.92 2orl s PRO 25 N 1.41 1.46 -0.39 2.90 0.04 -1.26 -4.84 135.00 134.33 2orl s PRO 25 Ca 0.33 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 2orl s PRO 25 Cb -0.16 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2orl s PRO 25 CO 0.13 -2.30 2.33 0.72 0.04 0.00 0.00 177.00 177.93 2orl n HIS 26 N -3.81 1.61 0.00 0.56 8.25 -1.26 -4.91 115.22 115.66 2orl n HIS 26 Ca 0.12 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2orl n HIS 26 Cb 0.52 -2.64 0.00 0.00 1.12 0.00 0.00 29.99 28.98 2orl n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2orl n LYS 27 N 8.77 3.21 0.30 -0.41 5.02 -1.25 -4.86 118.16 128.94 2orl n LYS 27 Ca 0.37 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.83 2orl n LYS 27 Cb 0.43 0.00 0.96 0.00 -0.02 0.00 0.00 35.03 36.40 2orl n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2orl h VAL 28 N 0.00 0.31 -3.38 -0.18 2.07 -1.80 -3.43 116.25 109.84 2orl h VAL 28 Ca 0.00 -0.18 -0.44 0.00 0.82 0.00 0.00 66.70 66.90 2orl h VAL 28 Cb 0.00 1.13 -0.17 0.00 -1.52 0.00 0.00 31.29 30.73 2orl h VAL 28 CO 0.00 0.03 -0.76 -0.83 0.02 0.00 0.00 177.57 176.03 2orl s GLY 29 N -4.15 1.21 0.78 2.17 0.00 -0.40 -4.98 107.32 101.95 2orl s GLY 29 Ca -0.04 -1.42 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 2orl s GLY 29 CO 0.51 -1.49 1.09 2.56 0.00 0.00 0.00 173.10 175.77 2orl s PRO 30 N -2.97 2.16 -0.09 2.90 0.04 -1.26 -4.50 135.00 131.28 2orl s PRO 30 Ca 0.14 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 2orl s PRO 30 Cb -0.04 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2orl s PRO 30 CO 0.04 -1.71 1.49 1.21 0.04 0.00 0.00 177.00 178.07 2orl s ASN 31 N -3.37 6.78 0.13 6.66 3.84 -1.26 -4.31 114.94 123.41 2orl s ASN 31 Ca 0.61 2.04 0.25 0.00 0.21 0.00 0.00 52.86 55.97 2orl s ASN 31 Cb -0.17 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.45 2orl s ASN 31 CO 0.56 -0.85 1.43 0.18 -2.79 0.00 0.00 177.10 175.64 2orl n LEU 32 N 6.74 0.70 -4.56 3.21 4.77 -1.08 -4.82 117.00 121.97 2orl n LEU 32 Ca 0.16 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 56.15 2orl n LEU 32 Cb 0.44 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2orl n LEU 32 CO 0.60 -0.07 1.51 -2.28 -1.33 0.00 0.00 177.39 175.81 2orl s HIS 33 N -3.14 1.46 0.00 -1.77 2.46 -1.25 -2.37 115.29 110.67 2orl s HIS 33 Ca 0.08 1.20 0.00 0.00 0.47 0.00 0.00 55.06 56.80 2orl s HIS 33 Cb 0.13 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 2orl s HIS 33 CO 0.69 -1.99 0.00 0.41 -2.47 0.00 0.00 174.74 171.38 2orl n GLY 34 N 6.40 1.61 0.12 1.59 0.00 -1.26 -4.94 105.19 108.70 2orl n GLY 34 Ca 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 2orl n GLY 34 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2orl h ILE 35 N 0.00 1.53 -1.95 -0.61 3.07 -1.79 -3.44 117.51 114.31 2orl h ILE 35 Ca 0.00 -2.61 -0.59 0.00 1.55 0.00 0.00 64.86 63.20 2orl h ILE 35 Cb 0.00 2.43 0.01 0.00 -0.27 0.00 0.00 36.82 38.98 2orl h ILE 35 CO 0.00 0.75 1.36 0.49 -1.05 0.00 0.00 178.15 179.71 2orl n PHE 36 N -3.64 2.10 0.00 0.16 3.72 -1.26 -1.46 117.46 117.08 2orl n PHE 36 Ca -0.02 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2orl n PHE 36 Cb 0.77 -2.71 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 2orl n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2orl n GLY 37 N 5.37 0.66 3.85 1.37 0.00 -0.26 -5.03 105.19 111.15 2orl n GLY 37 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2orl n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2orl s ARG 38 N -0.56 2.69 0.37 1.61 0.52 -0.53 -4.88 118.95 118.16 2orl s ARG 38 Ca 0.00 -1.34 -0.05 0.00 -0.52 0.00 0.00 55.73 53.83 2orl s ARG 38 Cb 0.00 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 2orl s ARG 38 CO 0.00 0.06 0.65 -1.01 0.02 0.00 0.00 175.30 175.02 2orl s HIS 39 N -2.33 3.50 0.19 -0.53 3.76 -1.26 -1.07 115.29 117.56 2orl s HIS 39 Ca 0.42 0.69 -0.32 0.00 -0.15 0.00 0.00 55.06 55.69 2orl s HIS 39 Cb -0.05 -2.16 -0.12 0.00 1.11 0.00 0.00 32.58 31.36 2orl s HIS 39 CO 0.27 -0.01 1.75 -1.12 -0.85 0.00 0.00 174.74 174.78 2orl s SER 40 N -3.61 6.38 0.00 1.40 0.01 0.98 -3.38 113.70 115.47 2orl s SER 40 Ca 0.45 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.56 2orl s SER 40 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2orl s SER 40 CO 0.36 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2orl n GLY 41 N 4.05 1.08 0.36 3.44 0.00 -1.26 -4.10 105.19 108.76 2orl n GLY 41 Ca 0.16 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.90 2orl n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2orl n GLN 42 N -0.55 1.37 -1.76 1.61 6.02 -1.22 -4.89 117.38 117.97 2orl n GLN 42 Ca 0.00 -2.87 -0.42 0.00 -0.01 0.00 0.00 57.00 53.70 2orl n GLN 42 Cb 0.23 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 2orl n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2orl n ALA 43 N -1.21 2.19 -1.84 -1.58 0.00 -1.26 -4.87 120.51 111.94 2orl n ALA 43 Ca 0.17 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 2orl n ALA 43 Cb 0.68 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 2orl n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2orl n GLU 44 N 0.75 1.39 0.00 0.00 4.71 -1.26 -3.07 120.64 123.16 2orl n GLU 44 Ca 0.03 -2.26 0.00 0.00 -0.01 0.00 0.00 57.16 54.92 2orl n GLU 44 Cb 0.38 -3.60 0.00 0.00 -1.01 0.00 0.00 31.44 27.21 2orl n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2orl n GLY 45 N 5.60 1.73 3.03 0.62 0.00 -1.26 -5.05 105.19 109.87 2orl n GLY 45 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 2orl n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2orl s TYR 46 N -2.00 0.69 -0.05 1.61 6.14 -1.18 -5.04 117.35 117.52 2orl s TYR 46 Ca 0.00 -0.31 -0.05 0.00 0.64 0.00 0.00 57.07 57.35 2orl s TYR 46 Cb 0.00 -0.42 -0.04 0.00 0.42 0.00 0.00 41.96 41.92 2orl s TYR 46 CO 0.00 -0.03 0.18 -1.54 0.64 0.00 0.00 175.55 174.80 2orl s SER 47 N -0.91 6.40 0.29 4.32 1.04 -1.26 -4.53 113.70 119.06 2orl s SER 47 Ca -0.03 0.43 0.09 0.00 0.48 0.00 0.00 55.95 56.92 2orl s SER 47 Cb -0.06 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 2orl s SER 47 CO 0.00 0.32 0.02 -0.31 0.98 0.00 0.00 173.24 174.25 2orl s TYR 48 N -1.20 2.66 0.97 5.02 1.51 -1.26 -5.04 117.35 120.01 2orl s TYR 48 Ca 0.22 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.86 2orl s TYR 48 Cb -0.12 -1.32 0.17 0.00 -0.11 0.00 0.00 41.96 40.58 2orl s TYR 48 CO 0.12 0.55 1.14 0.95 -1.11 0.00 0.00 175.55 177.21 2orl s THR 49 N -2.38 1.95 0.41 -0.71 -4.23 -1.26 -4.89 115.64 104.52 2orl s THR 49 Ca 0.33 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.91 2orl s THR 49 Cb -0.05 -2.70 0.27 0.00 1.34 0.00 0.00 72.50 71.37 2orl s THR 49 CO 0.20 0.00 2.05 -0.78 -0.54 0.00 0.00 174.62 175.55 2orl h ASP 50 N -1.71 0.49 0.57 3.99 1.82 -1.99 -2.94 116.42 116.65 2orl h ASP 50 Ca -0.50 -0.01 -0.28 0.00 -0.39 0.00 0.00 57.03 55.85 2orl h ASP 50 Cb 1.32 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.19 2orl h ASP 50 CO 0.56 0.35 -1.43 0.00 -1.61 0.00 0.00 179.24 177.10 2orl h ALA 51 N 1.72 0.34 -0.16 -0.78 0.00 -1.88 -3.25 119.26 115.25 2orl h ALA 51 Ca 0.17 -1.10 -0.19 0.00 0.00 0.00 0.00 54.91 53.79 2orl h ALA 51 Cb -0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2orl h ALA 51 CO -0.04 1.21 -0.67 -0.97 0.00 0.00 0.00 179.25 178.78 2orl h ASN 52 N 0.05 0.73 0.20 0.00 -0.73 -1.88 -3.17 115.58 110.78 2orl h ASN 52 Ca -0.20 -0.44 -0.01 0.00 1.87 0.00 0.00 56.30 57.52 2orl h ASN 52 Cb 1.97 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 40.34 2orl h ASN 52 CO 0.15 1.20 -0.10 0.40 -0.37 0.00 0.00 177.43 178.71 2orl h ILE 53 N 0.46 0.00 -0.33 2.57 2.04 -1.67 -2.77 117.51 117.81 2orl h ILE 53 Ca -0.02 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.85 2orl h ILE 53 Cb 1.25 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2orl h ILE 53 CO 0.13 0.00 0.91 0.29 0.00 0.00 0.00 178.15 179.48 2orl n LYS 54 N -2.95 0.02 0.11 2.37 5.02 -1.23 -0.65 118.16 120.85 2orl n LYS 54 Ca -0.03 0.82 -0.19 0.00 -2.02 0.00 0.00 58.31 56.88 2orl n LYS 54 Cb 0.11 -2.14 -0.15 0.00 -0.02 0.00 0.00 35.03 32.83 2orl n LYS 54 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2orl h LYS 55 N 0.00 0.35 -5.19 1.97 1.63 -1.46 -3.48 116.57 110.39 2orl h LYS 55 Ca 0.16 -0.61 -0.29 0.00 -0.85 0.00 0.00 60.65 59.06 2orl h LYS 55 Cb 1.97 0.23 -0.16 0.00 -0.60 0.00 0.00 32.23 33.66 2orl h LYS 55 CO -0.00 1.27 -0.43 0.09 -3.45 0.00 0.00 179.45 176.93 2orl n ASN 56 N -3.58 -0.58 -4.73 4.20 3.02 0.17 -4.87 115.26 108.90 2orl n ASN 56 Ca -0.13 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 2orl n ASN 56 Cb 1.05 -0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 2orl n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2orl s VAL 57 N -2.40 3.41 -0.70 2.41 0.11 -1.26 -4.22 120.40 117.75 2orl s VAL 57 Ca 0.31 1.10 -0.26 0.00 -2.93 0.00 0.00 61.98 60.21 2orl s VAL 57 Cb -0.18 -3.71 0.04 0.00 -1.53 0.00 0.00 36.38 31.01 2orl s VAL 57 CO 0.48 0.14 1.16 -0.22 -3.33 0.00 0.00 175.10 173.33 2orl s LEU 58 N 0.31 3.58 -0.24 2.54 0.20 -1.26 -0.02 118.68 123.80 2orl s LEU 58 Ca 0.58 -0.57 -0.34 0.00 0.69 0.00 0.00 54.13 54.50 2orl s LEU 58 Cb -0.35 -2.57 -0.10 0.00 -0.43 0.00 0.00 46.19 42.74 2orl s LEU 58 CO 0.35 -1.67 2.09 0.79 -0.29 0.00 0.00 176.35 177.61 2orl n TRP 59 N 8.73 1.92 -4.17 5.38 7.02 -0.23 -4.85 117.44 131.24 2orl n TRP 59 Ca 0.01 0.11 -0.08 0.00 -1.02 0.00 0.00 57.50 56.53 2orl n TRP 59 Cb 0.48 -2.61 -0.02 0.00 -2.42 0.00 0.00 31.31 26.74 2orl n TRP 59 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2orl n ASP 60 N 9.11 1.63 0.15 -0.99 2.03 -1.26 -1.10 116.55 126.12 2orl n ASP 60 Ca 0.32 -1.62 -0.12 0.00 0.52 0.00 0.00 54.79 53.90 2orl n ASP 60 Cb 0.29 0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2orl h GLU 61 N 0.00 -0.41 -0.08 -0.67 4.57 -2.01 -2.43 114.58 113.55 2orl h GLU 61 Ca -0.10 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2orl h GLU 61 Cb 0.35 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2orl h GLU 61 CO 0.17 -0.08 -0.04 -0.97 -1.18 0.00 0.00 179.01 176.91 2orl h ASN 62 N -0.88 0.17 -0.87 1.04 -1.24 -1.99 -3.27 115.58 108.55 2orl h ASN 62 Ca -0.04 -0.41 0.08 0.00 0.71 0.00 0.00 56.30 56.64 2orl h ASN 62 Cb 0.52 -0.05 -0.07 0.00 0.73 0.00 0.00 38.32 39.46 2orl h ASN 62 CO 0.07 0.55 0.53 -1.13 -1.29 0.00 0.00 177.43 176.16 2orl h ASN 63 N -0.20 0.80 -0.97 1.15 -0.73 -1.91 -2.54 115.58 111.18 2orl h ASN 63 Ca 0.02 0.03 0.19 0.00 1.87 0.00 0.00 56.30 58.40 2orl h ASN 63 Cb 0.48 -0.13 -0.11 0.00 0.27 0.00 0.00 38.32 38.83 2orl h ASN 63 CO 0.01 0.48 0.57 -0.03 -0.37 0.00 0.00 177.43 178.10 2orl h MET 64 N 0.92 0.70 -0.32 6.67 4.05 -1.48 -1.11 114.93 124.36 2orl h MET 64 Ca 0.40 -0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.64 2orl h MET 64 Cb 0.28 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 2orl h MET 64 CO -0.21 0.46 -0.35 0.77 0.23 0.00 0.00 176.91 177.81 2orl h SER 65 N 0.72 0.76 -0.63 1.39 0.02 -1.58 0.29 113.55 114.52 2orl h SER 65 Ca 0.56 -0.33 0.10 0.00 -0.84 0.00 0.00 61.79 61.28 2orl h SER 65 Cb 0.87 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 2orl h SER 65 CO -0.39 1.04 0.25 -0.08 -1.14 0.00 0.00 176.83 176.51 2orl h GLU 66 N 0.60 0.42 0.23 3.45 4.81 -1.11 -2.34 114.58 120.65 2orl h GLU 66 Ca 0.06 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.92 2orl h GLU 66 Cb 0.88 -0.10 0.03 0.00 0.63 0.00 0.00 28.75 30.20 2orl h GLU 66 CO 0.08 0.28 -1.54 -0.92 -0.73 0.00 0.00 179.01 176.17 2orl h TYR 67 N 0.44 0.90 -0.93 0.92 3.20 -1.44 -3.36 116.97 116.69 2orl h TYR 67 Ca 0.32 -0.66 0.05 0.00 3.14 0.00 0.00 58.73 61.59 2orl h TYR 67 Cb 0.40 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 2orl h TYR 67 CO -0.16 1.58 0.61 -0.07 -1.64 0.00 0.00 178.16 178.48 2orl h LEU 68 N 0.13 0.97 -1.51 2.82 3.38 -0.68 -2.08 115.31 118.34 2orl h LEU 68 Ca -0.27 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2orl h LEU 68 Cb 2.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 2orl h LEU 68 CO 0.25 0.64 0.36 0.74 0.09 0.00 0.00 178.44 180.52 2orl h THR 69 N 1.11 1.08 -0.77 0.22 2.02 -1.57 0.22 112.91 115.21 2orl h THR 69 Ca 0.39 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 2orl h THR 69 Cb 0.13 0.37 -0.19 0.00 -1.74 0.00 0.00 68.15 66.72 2orl h THR 69 CO -0.14 0.12 -0.35 0.21 0.37 0.00 0.00 175.52 175.73 2orl s ASN 70 N -6.49 -1.19 0.19 4.18 3.84 -0.99 -4.07 114.94 110.41 2orl s ASN 70 Ca -0.09 -0.60 -0.10 0.00 0.21 0.00 0.00 52.86 52.27 2orl s ASN 70 Cb 0.18 1.52 0.12 0.00 -0.55 0.00 0.00 41.25 42.52 2orl s ASN 70 CO 0.75 -0.13 1.79 1.55 -2.79 0.00 0.00 177.10 178.27 2orl h PRO 71 N 6.54 1.00 -0.46 0.43 0.13 -1.61 -2.49 132.00 135.53 2orl h PRO 71 Ca 0.02 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2orl h PRO 71 Cb 1.20 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2orl h PRO 71 CO 0.05 0.78 0.24 0.87 -0.23 0.00 0.00 178.00 179.71 2orl h LYS 72 N 0.97 0.63 0.02 0.86 1.57 -1.82 0.18 116.57 118.99 2orl h LYS 72 Ca 0.24 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.69 2orl h LYS 72 Cb 0.10 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.30 2orl h LYS 72 CO -0.03 0.48 -1.08 -0.22 -0.57 0.00 0.00 179.45 178.03 2orl h LYS 73 N 0.64 0.68 -0.07 3.15 1.63 -1.90 -3.03 116.57 117.67 2orl h LYS 73 Ca 0.16 -0.76 -0.10 0.00 -0.85 0.00 0.00 60.65 59.10 2orl h LYS 73 Cb 0.04 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2orl h LYS 73 CO -0.03 1.33 -0.35 -0.92 -3.45 0.00 0.00 179.45 176.03 2orl h TYR 74 N 0.37 0.49 -3.14 1.91 3.20 -1.25 -3.39 116.97 115.15 2orl h TYR 74 Ca -0.14 -0.22 -0.62 0.00 3.14 0.00 0.00 58.73 60.89 2orl h TYR 74 Cb 1.74 -0.07 -0.42 0.00 1.54 0.00 0.00 36.73 39.52 2orl h TYR 74 CO 0.10 0.96 -0.59 0.42 -1.64 0.00 0.00 178.16 177.41 2orl s ILE 75 N -3.61 2.77 -0.50 1.81 1.01 0.61 -5.07 121.20 118.21 2orl s ILE 75 Ca -0.14 -4.02 -0.27 0.00 0.00 0.00 0.00 60.65 56.22 2orl s ILE 75 Cb 0.04 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 2orl s ILE 75 CO 0.78 -0.96 1.82 -2.16 0.00 0.00 0.00 174.94 174.42 2orl s PRO 76 N -1.15 2.92 0.00 2.79 0.04 -1.15 -2.86 135.00 135.59 2orl s PRO 76 Ca 0.23 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2orl s PRO 76 Cb -0.09 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2orl s PRO 76 CO -0.13 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 174.95 2orl n GLY 77 N 5.57 1.69 3.88 0.56 0.00 -1.26 -4.83 105.19 110.80 2orl n GLY 77 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2orl n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2orl s THR 78 N -2.00 4.94 -0.46 2.61 -1.32 -1.14 -4.75 115.64 113.53 2orl s THR 78 Ca 0.00 0.36 0.20 0.00 -1.21 0.00 0.00 61.69 61.04 2orl s THR 78 Cb 0.00 -3.67 0.20 0.00 -1.51 0.00 0.00 72.50 67.52 2orl s THR 78 CO 0.00 -0.21 1.61 0.29 -2.21 0.00 0.00 174.62 174.10 2orl n LYS 79 N -0.55 0.14 -2.75 7.08 5.02 -1.26 -4.36 118.16 121.49 2orl n LYS 79 Ca 0.00 0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 56.36 2orl n LYS 79 Cb 0.53 -1.85 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 2orl n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2orl s MET 80 N -3.36 3.79 -0.06 1.97 1.75 -1.26 -4.82 119.30 117.30 2orl s MET 80 Ca 0.01 -1.80 0.08 0.00 -1.25 0.00 0.00 55.69 52.74 2orl s MET 80 Cb 0.07 -5.22 0.34 0.00 2.84 0.00 0.00 34.83 32.86 2orl s MET 80 CO 0.27 -2.01 1.13 0.00 -0.65 0.00 0.00 175.02 173.77 2orl n ALA 81 N 7.46 2.85 -0.28 4.11 0.00 -1.26 -4.54 120.51 128.84 2orl n ALA 81 Ca 0.35 -0.74 0.19 0.00 0.00 0.00 0.00 53.44 53.23 2orl n ALA 81 Cb 0.48 -1.02 0.47 0.00 0.00 0.00 0.00 19.45 19.38 2orl n ALA 81 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2orl h PHE 82 N 1.85 0.67 0.00 0.00 3.57 -1.96 -3.47 116.94 117.59 2orl h PHE 82 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2orl h PHE 82 Cb 0.87 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2orl h PHE 82 CO 0.38 0.15 0.00 0.41 -2.23 0.00 0.00 178.31 177.02 2orl n GLY 83 N -1.47 3.17 0.00 2.40 0.00 -1.26 -5.00 105.19 103.02 2orl n GLY 83 Ca 0.21 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2orl n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2orl n GLY 84 N 0.00 1.94 3.56 -0.02 0.00 -1.26 -4.67 105.19 104.73 2orl n GLY 84 Ca 0.00 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 2orl n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2orl s LEU 85 N 0.00 3.26 0.40 0.99 1.43 0.76 -4.81 118.68 120.72 2orl s LEU 85 Ca 0.00 -0.62 0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2orl s LEU 85 Cb 0.00 -2.56 0.86 0.00 0.03 0.00 0.00 46.19 44.52 2orl s LEU 85 CO 0.00 -2.32 1.88 0.11 0.23 0.00 0.00 176.35 176.25 2orl h LYS 86 N 11.60 0.00 -5.96 1.70 1.79 -1.83 -3.35 116.57 120.51 2orl h LYS 86 Ca 0.01 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.89 2orl h LYS 86 Cb 1.04 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.60 2orl h LYS 86 CO 1.27 0.31 0.53 0.15 -1.08 0.00 0.00 179.45 180.63 2orl s LYS 87 N -4.24 3.91 0.08 3.15 1.02 -1.26 -4.99 119.74 117.41 2orl s LYS 87 Ca -0.03 0.63 -0.27 0.00 0.02 0.00 0.00 55.97 56.32 2orl s LYS 87 Cb 0.14 -3.76 -0.17 0.00 -0.52 0.00 0.00 37.83 33.52 2orl s LYS 87 CO 0.70 -0.82 1.68 1.49 -0.92 0.00 0.00 175.35 177.47 2orl h GLU 88 N 8.27 -0.36 -0.84 1.68 4.81 -1.98 -2.82 114.58 123.34 2orl h GLU 88 Ca -0.23 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.15 2orl h GLU 88 Cb 1.08 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 2orl h GLU 88 CO 0.94 -0.23 0.46 0.87 -0.73 0.00 0.00 179.01 180.32 2orl h LYS 89 N -0.39 0.68 -0.49 1.92 1.79 -1.94 -1.23 116.57 116.91 2orl h LYS 89 Ca -0.04 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.45 2orl h LYS 89 Cb 0.30 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 2orl h LYS 89 CO 0.06 0.45 0.19 0.22 -1.08 0.00 0.00 179.45 179.29 2orl h ASP 90 N 0.70 0.22 0.11 0.86 3.58 -1.96 -2.36 116.42 117.57 2orl h ASP 90 Ca 0.44 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.78 2orl h ASP 90 Cb 0.54 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 2orl h ASP 90 CO -0.31 0.16 -0.58 0.03 -2.88 0.00 0.00 179.24 175.66 2orl h ARG 91 N 0.38 0.48 -0.57 0.28 3.08 -1.08 -3.17 114.38 113.79 2orl h ARG 91 Ca 0.23 -0.32 0.08 0.00 0.07 0.00 0.00 59.98 60.04 2orl h ARG 91 Cb 0.22 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.21 2orl h ARG 91 CO -0.22 0.93 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.22 2orl h ASN 92 N 0.37 -1.65 -0.59 7.04 2.35 -0.70 -0.54 115.58 121.86 2orl h ASN 92 Ca 0.00 0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 2orl h ASN 92 Cb 1.12 0.73 -0.02 0.00 0.05 0.00 0.00 38.32 40.19 2orl h ASN 92 CO 0.10 -0.35 0.05 -0.78 -1.65 0.00 0.00 177.43 174.80 2orl h ASP 93 N -0.25 1.00 -0.95 5.81 1.82 -1.65 -3.07 116.42 119.12 2orl h ASP 93 Ca 0.15 -0.26 0.10 0.00 -0.39 0.00 0.00 57.03 56.63 2orl h ASP 93 Cb 0.56 -0.27 -0.07 0.00 0.68 0.00 0.00 39.33 40.23 2orl h ASP 93 CO -0.69 1.02 0.61 -0.07 -1.61 0.00 0.00 179.24 178.51 2orl h LEU 94 N 0.96 0.89 0.01 2.28 3.38 -1.25 -2.55 115.31 119.02 2orl h LEU 94 Ca 0.18 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2orl h LEU 94 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2orl h LEU 94 CO 0.02 0.51 -0.00 0.40 0.09 0.00 0.00 178.44 179.46 2orl h ILE 95 N 0.97 1.11 -0.92 1.22 2.04 -1.04 -2.63 117.51 118.27 2orl h ILE 95 Ca 0.45 -0.37 0.11 0.00 1.00 0.00 0.00 64.86 66.05 2orl h ILE 95 Cb 0.40 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 2orl h ILE 95 CO -0.20 0.10 0.55 0.74 0.00 0.00 0.00 178.15 179.34 2orl h THR 96 N -0.17 0.91 0.71 -0.27 2.02 -1.49 0.28 112.91 114.91 2orl h THR 96 Ca -0.00 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 2orl h THR 96 Cb 0.16 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2orl h THR 96 CO 0.00 0.16 -0.34 0.22 0.37 0.00 0.00 175.52 175.93 2orl h TYR 97 N 0.90 -0.89 -0.19 3.16 3.20 -1.28 0.14 116.97 122.01 2orl h TYR 97 Ca 0.45 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.31 2orl h TYR 97 Cb 0.43 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2orl h TYR 97 CO -0.03 -0.54 0.11 1.25 -1.64 0.00 0.00 178.16 177.30 2orl h LEU 98 N -1.01 0.17 -0.86 2.82 5.85 -1.19 -2.45 115.31 118.64 2orl h LEU 98 Ca -0.10 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.75 2orl h LEU 98 Cb 0.75 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 2orl h LEU 98 CO 0.16 0.13 0.48 0.50 -0.34 0.00 0.00 178.44 179.37 2orl h LYS 99 N 0.22 0.71 -0.01 1.25 3.64 -0.44 -0.75 116.57 121.19 2orl h LYS 99 Ca 0.07 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2orl h LYS 99 Cb -0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2orl h LYS 99 CO -0.04 0.47 -0.43 -0.22 -2.27 0.00 0.00 179.45 176.97 2orl h LYS 100 N 0.73 0.02 0.15 1.90 1.63 -0.27 -1.37 116.57 119.36 2orl h LYS 100 Ca 0.45 -0.01 -0.29 0.00 -0.85 0.00 0.00 60.65 59.95 2orl h LYS 100 Cb 0.54 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2orl h LYS 100 CO -0.31 0.44 -1.33 0.00 -3.45 0.00 0.00 179.45 174.80 2orl h ALA 101 N 1.56 0.07 0.13 5.00 0.00 -1.02 -3.35 119.26 121.64 2orl h ALA 101 Ca -0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 54.91 53.71 2orl h ALA 101 Cb 0.76 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.66 2orl h ALA 101 CO 0.06 0.94 -1.20 1.15 0.00 0.00 0.00 179.25 180.20 2orl h THR 102 N 0.09 1.31 0.00 0.00 2.02 -1.07 -3.46 112.91 111.79 2orl h THR 102 Ca -0.17 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.54 2orl h THR 102 Cb 2.02 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 71.20 2orl h THR 102 CO 0.21 0.74 0.00 -1.84 0.37 0.00 0.00 175.52 175.01