#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 3.65 -1.65 -2.82 0.00 -1.26 -5.06 120.64 113.50 2orl n GLU -4 Ca 0.00 -4.41 -0.39 0.00 0.00 0.00 0.00 57.16 52.36 2orl n GLU -4 Cb 0.00 -2.30 0.04 0.00 0.00 0.00 0.00 31.44 29.18 2orl n GLU -4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2orl n PHE -3 N -0.34 1.38 -3.70 4.31 7.35 -1.26 -4.89 117.46 120.31 2orl n PHE -3 Ca 0.42 0.46 -0.11 0.00 -0.76 0.00 0.00 57.45 57.46 2orl n PHE -3 Cb 0.40 -2.23 -0.11 0.00 0.35 0.00 0.00 39.48 37.89 2orl n PHE -3 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2orl s LYS -2 N -2.60 0.35 0.43 -4.13 2.20 -1.26 -5.14 119.74 109.58 2orl s LYS -2 Ca 0.71 0.72 -0.25 0.00 -0.36 0.00 0.00 55.97 56.79 2orl s LYS -2 Cb -0.45 -0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 35.73 2orl s LYS -2 CO 0.50 -0.16 1.15 0.00 -0.36 0.00 0.00 175.35 176.49 2orl n ALA -1 N 4.21 0.77 -2.95 3.13 0.00 -1.26 -4.32 120.51 120.09 2orl n ALA -1 Ca -0.24 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2orl n ALA -1 Cb 0.55 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 0.99 5.00 3.51 0.00 0.00 -1.26 -4.87 105.19 108.56 2orl n GLY 1 Ca 0.08 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 0.90 -0.68 0.36 1.61 0.01 -1.26 -5.06 113.70 109.58 2orl s SER 2 Ca 0.00 1.25 0.15 0.00 1.31 0.00 0.00 55.95 58.66 2orl s SER 2 Cb 0.00 1.23 1.02 0.00 0.21 0.00 0.00 66.02 68.47 2orl s SER 2 CO 0.00 -0.22 1.74 0.00 0.41 0.00 0.00 173.24 175.18 2orl h ALA 3 N 5.70 2.04 0.00 1.44 0.00 -1.90 0.08 119.26 126.63 2orl h ALA 3 Ca -0.29 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2orl h ALA 3 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2orl h ALA 3 CO 0.14 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.53 2orl n LYS 4 N -4.76 0.93 -0.06 0.00 4.76 -1.26 -3.32 118.16 114.45 2orl n LYS 4 Ca 0.27 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.58 2orl n LYS 4 Cb 0.84 -1.37 -0.04 0.00 -1.84 0.00 0.00 35.03 32.62 2orl n LYS 4 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2orl n LYS 5 N -0.87 0.28 0.09 1.97 5.02 -0.01 -4.55 118.16 120.10 2orl n LYS 5 Ca 0.17 0.12 0.14 0.00 -2.02 0.00 0.00 58.31 56.71 2orl n LYS 5 Cb 0.08 -0.98 0.63 0.00 -0.02 0.00 0.00 35.03 34.74 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 -0.49 0.11 0.99 0.72 0.00 -1.61 -2.70 103.07 100.08 2orl h GLY 6 Ca -0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2orl h GLY 6 CO -0.17 0.02 -0.03 0.00 0.00 0.00 0.00 176.54 176.37 2orl h ALA 7 N 1.83 -0.07 -1.10 3.60 0.00 -1.80 -2.71 119.26 119.01 2orl h ALA 7 Ca 0.15 -0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.34 2orl h ALA 7 Cb 0.50 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2orl h ALA 7 CO -0.01 -0.53 0.74 1.79 0.00 0.00 0.00 179.25 181.23 2orl h THR 8 N -0.09 0.47 0.00 0.00 1.35 -1.72 0.67 112.91 113.59 2orl h THR 8 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2orl h THR 8 Cb 0.07 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 2orl h THR 8 CO 0.01 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.51 2orl n LEU 9 N -4.48 1.14 -0.31 3.87 7.99 -1.03 -2.93 117.00 121.26 2orl n LEU 9 Ca 0.26 0.28 0.15 0.00 -0.01 0.00 0.00 56.01 56.69 2orl n LEU 9 Cb 1.03 0.00 0.33 0.00 -0.11 0.00 0.00 43.42 44.67 2orl n LEU 9 CO 0.30 0.00 0.99 0.15 -1.51 0.00 0.00 177.39 177.33 2orl h PHE 10 N 0.00 0.51 0.00 -1.77 3.04 -1.53 0.35 116.94 117.55 2orl h PHE 10 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2orl h PHE 10 Cb 0.00 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.43 2orl h PHE 10 CO 0.00 -0.18 0.00 1.17 -2.02 0.00 0.00 178.31 177.28 2orl n LYS 11 N -5.17 0.77 0.00 1.11 4.81 0.22 -0.51 118.16 119.39 2orl n LYS 11 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2orl n LYS 11 Cb 0.75 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.51 2orl n LYS 11 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2orl n THR 12 N -0.79 0.00 -0.08 3.15 -1.04 0.02 -4.59 114.28 110.95 2orl n THR 12 Ca 0.11 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.03 2orl n THR 12 Cb 0.05 -0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.45 2orl n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2orl n ARG 13 N -0.37 1.35 -0.02 -2.82 5.12 0.10 -4.68 116.66 115.34 2orl n ARG 13 Ca 0.00 0.02 0.03 0.00 -1.93 0.00 0.00 57.85 55.97 2orl n ARG 13 Cb 0.02 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 29.85 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 0.63 -1.69 0.00 5.85 -1.05 -2.07 115.31 116.97 2orl h LEU 15 Ca -0.10 0.05 0.42 0.00 0.84 0.00 0.00 57.88 59.10 2orl h LEU 15 Cb 0.93 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 2orl h LEU 15 CO 0.01 0.28 0.96 0.06 -0.34 0.00 0.00 178.44 179.40 2orl h GLN 16 N 0.64 0.09 0.00 1.25 3.07 -1.86 -3.23 115.11 115.07 2orl h GLN 16 Ca 0.49 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.22 2orl h GLN 16 Cb 0.89 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.43 2orl h GLN 16 CO -0.24 0.06 -0.69 0.00 0.09 0.00 0.00 178.83 178.04 2orl n HIS 18 N -1.95 -3.07 -3.65 0.00 8.25 -0.80 -1.15 115.22 112.84 2orl n HIS 18 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2orl n HIS 18 Cb 0.35 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 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 0.62 -0.66 -0.21 1.59 -4.23 -1.26 -4.62 115.64 106.87 2orl s THR 19 Ca 0.00 0.03 0.21 0.00 -1.18 0.00 0.00 61.69 60.75 2orl s THR 19 Cb 0.00 -0.93 0.23 0.00 1.34 0.00 0.00 72.50 73.14 2orl s THR 19 CO 0.00 0.01 1.61 1.62 -0.54 0.00 0.00 174.62 177.32 2orl h VAL 20 N 5.77 0.40 -3.47 2.29 3.04 -1.96 -3.11 116.25 119.21 2orl h VAL 20 Ca -0.21 -1.43 -0.45 0.00 -1.01 0.00 0.00 66.70 63.59 2orl h VAL 20 Cb 1.14 2.09 0.07 0.00 -2.01 0.00 0.00 31.29 32.57 2orl h VAL 20 CO 0.13 0.22 0.17 -1.61 -1.01 0.00 0.00 177.57 175.46 2orl s GLU 21 N -3.22 2.26 -0.12 4.17 8.01 -1.26 -4.07 118.70 124.47 2orl s GLU 21 Ca 0.04 -0.38 -0.26 0.00 0.01 0.00 0.00 54.97 54.38 2orl s GLU 21 Cb 0.07 -2.24 -0.27 0.00 -4.31 0.00 0.00 34.13 27.38 2orl s GLU 21 CO 0.68 -1.13 0.76 0.87 0.01 0.00 0.00 175.26 176.45 2orl h LYS 22 N -0.46 0.09 -0.81 1.61 1.79 -1.92 -3.33 116.57 113.54 2orl h LYS 22 Ca -0.44 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2orl h LYS 22 Cb 1.31 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2orl h LYS 22 CO 0.58 1.07 0.00 0.41 -1.08 0.00 0.00 179.45 180.43 2orl n GLY 23 N 1.62 1.08 3.72 3.86 0.00 -1.26 -4.89 105.19 109.32 2orl n GLY 23 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.20 2.09 0.06 -0.02 0.00 -1.25 -4.97 107.32 103.03 2orl s GLY 24 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.51 2orl s GLY 24 CO 0.00 2.28 1.84 2.56 0.00 0.00 0.00 173.10 179.77 2orl s PRO 25 N 0.88 4.15 -0.16 2.90 0.04 -1.26 -4.91 135.00 136.65 2orl s PRO 25 Ca 0.63 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.89 2orl s PRO 25 Cb -0.36 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 2orl s PRO 25 CO 0.32 -0.87 1.64 -1.01 0.04 0.00 0.00 177.00 177.11 2orl s HIS 26 N 3.57 2.06 0.00 0.56 3.76 -1.26 -4.78 115.29 119.20 2orl s HIS 26 Ca 0.82 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.16 2orl s HIS 26 Cb -0.42 -3.93 0.00 0.00 1.11 0.00 0.00 32.58 29.33 2orl s HIS 26 CO 0.37 -3.26 0.00 1.63 -0.85 0.00 0.00 174.74 172.63 2orl n LYS 27 N 7.46 1.80 0.33 1.40 4.01 -1.08 -4.91 118.16 127.16 2orl n LYS 27 Ca 0.18 0.00 0.21 0.00 -0.51 0.00 0.00 58.31 58.19 2orl n LYS 27 Cb 0.44 0.00 1.12 0.00 -0.51 0.00 0.00 35.03 36.09 2orl n LYS 27 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2orl h VAL 28 N 0.00 0.10 -4.22 -0.18 2.07 -1.80 -3.41 116.25 108.80 2orl h VAL 28 Ca 0.00 -0.06 -0.61 0.00 0.82 0.00 0.00 66.70 66.85 2orl h VAL 28 Cb 0.00 1.05 -0.30 0.00 -1.52 0.00 0.00 31.29 30.52 2orl h VAL 28 CO 0.00 0.00 -0.86 -0.83 0.02 0.00 0.00 177.57 175.91 2orl s GLY 29 N -4.15 1.04 1.16 2.17 0.00 -0.30 -4.97 107.32 102.26 2orl s GLY 29 Ca -0.04 -0.87 -0.18 0.00 0.00 0.00 0.00 44.72 43.63 2orl s GLY 29 CO 0.45 -0.62 1.12 2.56 0.00 0.00 0.00 173.10 176.60 2orl s PRO 30 N -0.29 -0.85 0.44 2.90 0.04 -1.26 -3.95 135.00 132.02 2orl s PRO 30 Ca 0.03 0.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.83 2orl s PRO 30 Cb -0.10 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 2orl s PRO 30 CO 0.01 -3.48 1.23 1.21 0.04 0.00 0.00 177.00 176.01 2orl s ASN 31 N -3.88 6.19 -0.00 6.66 3.84 -1.26 -4.25 114.94 122.24 2orl s ASN 31 Ca 0.70 2.48 0.04 0.00 0.21 0.00 0.00 52.86 56.28 2orl s ASN 31 Cb -0.11 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 37.93 2orl s ASN 31 CO 0.56 -0.92 0.14 0.18 -2.79 0.00 0.00 177.10 174.27 2orl n LEU 32 N -0.23 0.14 -4.55 3.21 4.77 -1.17 -4.71 117.00 114.46 2orl n LEU 32 Ca 0.06 -0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 55.34 2orl n LEU 32 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2orl n LEU 32 CO 0.51 0.04 1.56 -2.28 -1.33 0.00 0.00 177.39 175.89 2orl s HIS 33 N -1.49 1.35 0.00 -1.77 2.46 -1.26 -2.43 115.29 112.16 2orl s HIS 33 Ca 0.01 1.36 0.00 0.00 0.47 0.00 0.00 55.06 56.90 2orl s HIS 33 Cb 0.03 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 2orl s HIS 33 CO 0.15 -2.04 0.00 0.41 -2.47 0.00 0.00 174.74 170.79 2orl n GLY 34 N 6.35 1.76 0.11 1.59 0.00 -1.26 -4.94 105.19 108.80 2orl n GLY 34 Ca 0.37 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 1.56 -1.84 -0.61 3.07 -1.86 -3.44 117.51 114.39 2orl h ILE 35 Ca 0.00 -2.75 -0.61 0.00 1.55 0.00 0.00 64.86 63.04 2orl h ILE 35 Cb 0.00 2.50 0.01 0.00 -0.27 0.00 0.00 36.82 39.06 2orl h ILE 35 CO 0.00 0.79 1.29 0.49 -1.05 0.00 0.00 178.15 179.67 2orl n PHE 36 N -3.59 2.09 -0.05 0.16 3.72 -1.26 -1.00 117.46 117.53 2orl n PHE 36 Ca -0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2orl n PHE 36 Cb 0.79 -2.67 0.00 0.00 -0.94 0.00 0.00 39.48 36.67 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 5.26 0.42 3.78 1.37 0.00 -0.38 -5.04 105.19 110.61 2orl n GLY 37 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.92 2.47 0.60 1.61 0.52 -0.17 -4.89 118.95 118.17 2orl s ARG 38 Ca 0.00 -1.50 -0.06 0.00 -0.52 0.00 0.00 55.73 53.65 2orl s ARG 38 Cb 0.00 -2.26 0.01 0.00 0.52 0.00 0.00 34.95 33.22 2orl s ARG 38 CO 0.00 0.06 0.91 -1.01 0.02 0.00 0.00 175.30 175.28 2orl s HIS 39 N -2.41 3.23 0.47 -0.53 3.76 -1.26 -1.58 115.29 116.97 2orl s HIS 39 Ca 0.40 0.63 -0.24 0.00 -0.15 0.00 0.00 55.06 55.70 2orl s HIS 39 Cb -0.03 -2.76 -0.07 0.00 1.11 0.00 0.00 32.58 30.82 2orl s HIS 39 CO 0.24 -0.86 1.30 -1.12 -0.85 0.00 0.00 174.74 173.45 2orl s SER 40 N -4.32 5.92 0.00 1.40 0.01 -0.05 -3.97 113.70 112.69 2orl s SER 40 Ca 0.54 2.63 0.00 0.00 1.31 0.00 0.00 55.95 60.43 2orl s SER 40 Cb -0.11 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2orl s SER 40 CO 0.45 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2orl n GLY 41 N 0.62 0.81 0.39 3.44 0.00 -1.26 -4.58 105.19 104.61 2orl n GLY 41 Ca 0.07 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.64 2.09 -1.68 1.61 6.02 -1.25 -4.93 117.38 118.59 2orl n GLN 42 Ca 0.00 -2.56 -0.44 0.00 -0.01 0.00 0.00 57.00 53.99 2orl n GLN 42 Cb 0.50 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 30.15 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 -0.93 1.65 -1.94 -1.58 0.00 -1.26 -4.87 120.51 111.58 2orl n ALA 43 Ca 0.16 0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 2orl n ALA 43 Cb 0.69 -2.54 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 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 5.76 1.44 0.00 0.00 4.71 -1.26 -2.70 120.64 128.59 2orl n GLU 44 Ca 0.19 -2.34 0.00 0.00 -0.01 0.00 0.00 57.16 55.00 2orl n GLU 44 Cb 0.34 -3.68 0.00 0.00 -1.01 0.00 0.00 31.44 27.09 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 5.71 1.33 2.98 0.62 0.00 -1.26 -5.05 105.19 109.51 2orl n GLY 45 Ca 0.45 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 0.82 0.64 1.61 6.14 -1.10 -5.14 117.35 118.32 2orl s TYR 46 Ca 0.00 -0.20 -0.09 0.00 0.64 0.00 0.00 57.07 57.42 2orl s TYR 46 Cb 0.00 -0.60 -0.00 0.00 0.42 0.00 0.00 41.96 41.78 2orl s TYR 46 CO 0.00 -0.09 1.00 -1.12 0.64 0.00 0.00 175.55 175.98 2orl s SER 47 N 0.24 5.72 0.38 4.32 0.01 -1.26 -4.41 113.70 118.69 2orl s SER 47 Ca -0.03 1.06 0.04 0.00 1.31 0.00 0.00 55.95 58.32 2orl s SER 47 Cb -0.08 -2.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2orl s SER 47 CO 0.00 -1.10 0.12 -0.31 0.41 0.00 0.00 173.24 172.37 2orl s TYR 48 N -3.17 1.79 0.64 2.43 2.02 -1.26 -4.97 117.35 114.84 2orl s TYR 48 Ca 0.55 -1.24 -0.07 0.00 -0.37 0.00 0.00 57.07 55.94 2orl s TYR 48 Cb -0.11 -1.14 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2orl s TYR 48 CO 0.50 -0.28 0.96 0.95 -1.57 0.00 0.00 175.55 176.11 2orl s THR 49 N -3.28 3.17 0.38 -0.71 -4.23 -1.26 -4.96 115.64 104.74 2orl s THR 49 Ca 0.27 -0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.80 2orl s THR 49 Cb 0.04 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.85 2orl s THR 49 CO 0.15 -0.33 2.02 -0.78 -0.54 0.00 0.00 174.62 175.15 2orl h ASP 50 N -0.38 0.60 0.57 3.99 1.82 -1.99 -2.86 116.42 118.17 2orl h ASP 50 Ca -0.45 -0.01 -0.29 0.00 -0.39 0.00 0.00 57.03 55.89 2orl h ASP 50 Cb 1.28 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.13 2orl h ASP 50 CO 0.61 0.43 -1.41 0.00 -1.61 0.00 0.00 179.24 177.25 2orl h ALA 51 N 1.67 0.29 -0.15 -0.78 0.00 -1.87 -3.22 119.26 115.19 2orl h ALA 51 Ca 0.21 -1.07 -0.18 0.00 0.00 0.00 0.00 54.91 53.87 2orl h ALA 51 Cb -0.02 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2orl h ALA 51 CO -0.05 1.16 -0.65 -0.97 0.00 0.00 0.00 179.25 178.73 2orl h ASN 52 N 0.05 0.67 0.03 0.00 -0.73 -1.87 -3.09 115.58 110.64 2orl h ASN 52 Ca -0.19 -0.40 -0.00 0.00 1.87 0.00 0.00 56.30 57.58 2orl h ASN 52 Cb 1.97 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 40.37 2orl h ASN 52 CO 0.16 1.15 -0.01 0.40 -0.37 0.00 0.00 177.43 178.75 2orl h ILE 53 N 0.42 0.00 -0.32 2.57 2.04 -1.66 -3.10 117.51 117.46 2orl h ILE 53 Ca -0.02 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2orl h ILE 53 Cb 1.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2orl h ILE 53 CO 0.12 0.00 0.86 0.29 0.00 0.00 0.00 178.15 179.42 2orl n LYS 54 N -2.17 0.02 0.09 2.37 5.02 -1.21 -0.70 118.16 121.58 2orl n LYS 54 Ca -0.00 0.77 -0.16 0.00 -2.02 0.00 0.00 58.31 56.89 2orl n LYS 54 Cb 0.01 -2.02 -0.10 0.00 -0.02 0.00 0.00 35.03 32.91 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 0.38 -7.13 1.97 1.63 -1.46 -3.48 116.57 108.48 2orl h LYS 55 Ca 0.15 -0.52 -0.62 0.00 -0.85 0.00 0.00 60.65 58.81 2orl h LYS 55 Cb 1.87 0.18 -0.36 0.00 -0.60 0.00 0.00 32.23 33.32 2orl h LYS 55 CO -0.00 1.21 -0.90 0.09 -3.45 0.00 0.00 179.45 176.40 2orl n ASN 56 N -3.66 -2.09 -4.69 4.20 3.02 0.12 -4.89 115.26 107.27 2orl n ASN 56 Ca -0.09 -1.21 -0.42 0.00 -0.03 0.00 0.00 54.58 52.83 2orl n ASN 56 Cb 0.95 -1.81 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 2orl n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2orl s VAL 57 N -3.26 3.09 -0.67 2.41 1.01 -1.26 -4.37 120.40 117.35 2orl s VAL 57 Ca 0.82 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 63.14 2orl s VAL 57 Cb -0.47 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.58 2orl s VAL 57 CO 1.01 0.01 1.09 -0.22 0.00 0.00 0.00 175.10 176.98 2orl s LEU 58 N 2.32 3.87 -0.27 3.92 0.20 -1.26 -0.87 118.68 126.60 2orl s LEU 58 Ca 0.71 -0.68 -0.30 0.00 0.69 0.00 0.00 54.13 54.55 2orl s LEU 58 Cb -0.39 -2.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.75 2orl s LEU 58 CO 0.31 -1.56 2.22 0.79 -0.29 0.00 0.00 176.35 177.82 2orl n TRP 59 N 8.32 1.83 -4.13 5.38 7.02 -0.62 -4.87 117.44 130.37 2orl n TRP 59 Ca -0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 2orl n TRP 59 Cb 0.47 -2.66 -0.02 0.00 -2.42 0.00 0.00 31.31 26.68 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 11.23 2.29 0.44 -0.99 -0.08 -1.26 -1.25 116.55 126.94 2orl n ASP 60 Ca 0.34 -1.72 -0.19 0.00 -1.51 0.00 0.00 54.79 51.71 2orl n ASP 60 Cb 0.38 0.09 -0.09 0.00 2.34 0.00 0.00 41.12 43.84 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2orl h GLU 61 N 0.00 -1.08 0.00 -0.67 4.57 -2.01 -2.58 114.58 112.80 2orl h GLU 61 Ca -0.14 0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 2orl h GLU 61 Cb 0.42 0.25 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2orl h GLU 61 CO 0.22 -0.71 -0.52 -0.97 -1.18 0.00 0.00 179.01 175.85 2orl h ASN 62 N -1.19 0.46 -0.62 1.04 -1.24 -1.99 -3.35 115.58 108.69 2orl h ASN 62 Ca -0.11 -0.77 0.13 0.00 0.71 0.00 0.00 56.30 56.26 2orl h ASN 62 Cb 0.87 -0.14 -0.11 0.00 0.73 0.00 0.00 38.32 39.67 2orl h ASN 62 CO 0.19 1.16 -0.05 -1.13 -1.29 0.00 0.00 177.43 176.31 2orl h ASN 63 N -0.20 -0.38 -0.97 1.15 -0.73 -1.90 -0.68 115.58 111.87 2orl h ASN 63 Ca -0.07 0.16 0.19 0.00 1.87 0.00 0.00 56.30 58.46 2orl h ASN 63 Cb 1.24 0.31 -0.09 0.00 0.27 0.00 0.00 38.32 40.05 2orl h ASN 63 CO 0.10 -0.15 0.61 -0.03 -0.37 0.00 0.00 177.43 177.60 2orl h MET 64 N 0.07 0.65 -0.53 6.67 4.05 -1.59 -1.29 114.93 122.97 2orl h MET 64 Ca 0.31 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.62 2orl h MET 64 Cb 0.51 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 2orl h MET 64 CO -0.57 0.43 0.01 0.77 0.23 0.00 0.00 176.91 177.79 2orl h SER 65 N 0.67 0.86 -0.57 1.39 0.02 -1.28 -1.49 113.55 113.15 2orl h SER 65 Ca 0.53 -0.21 0.11 0.00 -0.84 0.00 0.00 61.79 61.37 2orl h SER 65 Cb 0.95 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.17 2orl h SER 65 CO -0.30 0.91 0.10 -0.33 -1.14 0.00 0.00 176.83 176.07 2orl h GLU 66 N 0.83 0.22 -0.05 3.45 5.08 -1.04 -2.08 114.58 120.99 2orl h GLU 66 Ca 0.16 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 2orl h GLU 66 Cb 0.47 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2orl h GLU 66 CO 0.02 0.15 -0.78 -0.92 -1.00 0.00 0.00 179.01 176.47 2orl h TYR 67 N 0.23 0.88 -0.81 4.33 3.20 -1.48 -3.32 116.97 120.00 2orl h TYR 67 Ca 0.29 -0.45 0.06 0.00 3.14 0.00 0.00 58.73 61.78 2orl h TYR 67 Cb 0.43 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2orl h TYR 67 CO -0.26 1.27 0.53 -0.07 -1.64 0.00 0.00 178.16 177.99 2orl h LEU 68 N 0.24 0.79 -0.92 2.82 3.38 -0.85 -1.36 115.31 119.41 2orl h LEU 68 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2orl h LEU 68 Cb 1.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2orl h LEU 68 CO 0.16 0.51 -0.09 0.74 0.09 0.00 0.00 178.44 179.85 2orl h THR 69 N 0.90 1.25 -0.93 0.22 2.02 -1.48 -2.48 112.91 112.40 2orl h THR 69 Ca 0.34 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 2orl h THR 69 Cb 0.20 1.04 -0.19 0.00 -1.74 0.00 0.00 68.15 67.46 2orl h THR 69 CO -0.12 0.37 -0.42 0.21 0.37 0.00 0.00 175.52 175.93 2orl s ASN 70 N -6.71 -1.44 0.18 4.18 3.84 -0.98 -4.28 114.94 109.74 2orl s ASN 70 Ca -0.09 -0.67 -0.12 0.00 0.21 0.00 0.00 52.86 52.19 2orl s ASN 70 Cb 0.14 1.85 0.10 0.00 -0.55 0.00 0.00 41.25 42.79 2orl s ASN 70 CO 0.80 -0.17 1.83 1.55 -2.79 0.00 0.00 177.10 178.33 2orl h PRO 71 N 6.94 0.83 -0.43 0.43 0.13 -1.51 -1.63 132.00 136.76 2orl h PRO 71 Ca 0.04 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 2orl h PRO 71 Cb 1.18 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2orl h PRO 71 CO 0.09 0.59 0.03 0.87 -0.23 0.00 0.00 178.00 179.35 2orl h LYS 72 N 0.84 0.67 0.11 0.86 1.79 -1.79 -0.16 116.57 118.88 2orl h LYS 72 Ca 0.22 -0.15 -0.29 0.00 -2.18 0.00 0.00 60.65 58.25 2orl h LYS 72 Cb -0.04 -0.09 0.03 0.00 -1.58 0.00 0.00 32.23 30.54 2orl h LYS 72 CO -0.04 0.67 -1.22 -0.22 -1.08 0.00 0.00 179.45 177.55 2orl h LYS 73 N 0.64 0.60 -0.35 3.15 1.63 -1.91 -3.03 116.57 117.31 2orl h LYS 73 Ca 0.14 -0.79 -0.14 0.00 -0.85 0.00 0.00 60.65 59.00 2orl h LYS 73 Cb 0.35 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 2orl h LYS 73 CO 0.01 1.36 -0.32 -0.92 -3.45 0.00 0.00 179.45 176.13 2orl h TYR 74 N 0.27 0.99 -3.06 1.91 3.20 -1.21 -3.39 116.97 115.68 2orl h TYR 74 Ca -0.18 -0.29 -0.61 0.00 3.14 0.00 0.00 58.73 60.80 2orl h TYR 74 Cb 1.89 -0.21 -0.40 0.00 1.54 0.00 0.00 36.73 39.55 2orl h TYR 74 CO 0.11 1.08 -0.74 0.42 -1.64 0.00 0.00 178.16 177.38 2orl s ILE 75 N -4.41 1.29 -0.35 1.81 1.01 -0.08 -5.10 121.20 115.37 2orl s ILE 75 Ca -0.12 -2.24 -0.28 0.00 0.00 0.00 0.00 60.65 58.02 2orl s ILE 75 Cb 0.10 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2orl s ILE 75 CO 0.86 -0.83 1.87 -2.16 0.00 0.00 0.00 174.94 174.68 2orl s PRO 76 N 0.71 3.21 0.00 2.79 0.04 -1.14 -2.72 135.00 137.89 2orl s PRO 76 Ca 0.15 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2orl s PRO 76 Cb -0.22 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2orl s PRO 76 CO -0.06 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.38 2orl n GLY 77 N 5.50 1.18 3.78 0.56 0.00 -1.26 -4.77 105.19 110.17 2orl n GLY 77 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 3.91 0.28 2.61 -1.32 -1.10 -4.81 115.64 113.20 2orl s THR 78 Ca 0.00 1.61 0.23 0.00 -1.21 0.00 0.00 61.69 62.31 2orl s THR 78 Cb 0.00 -3.90 0.21 0.00 -1.51 0.00 0.00 72.50 67.30 2orl s THR 78 CO 0.00 0.15 1.89 0.11 -2.21 0.00 0.00 174.62 174.57 2orl h LYS 79 N 3.10 0.00 -5.99 7.08 1.57 -1.98 -3.43 116.57 116.92 2orl h LYS 79 Ca -0.47 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.79 2orl h LYS 79 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2orl h LYS 79 CO 0.64 0.24 1.41 1.41 -0.57 0.00 0.00 179.45 182.58 2orl s MET 80 N -3.91 2.77 -0.28 3.15 1.75 -1.26 -4.84 119.30 116.68 2orl s MET 80 Ca -0.01 1.17 0.11 0.00 -1.25 0.00 0.00 55.69 55.71 2orl s MET 80 Cb 0.12 -4.37 0.58 0.00 2.84 0.00 0.00 34.83 34.00 2orl s MET 80 CO 0.64 -2.53 1.57 0.00 -0.65 0.00 0.00 175.02 174.04 2orl n ALA 81 N 12.63 4.06 0.13 4.11 0.00 -1.26 -4.51 120.51 135.67 2orl n ALA 81 Ca 0.26 -2.69 0.09 0.00 0.00 0.00 0.00 53.44 51.10 2orl n ALA 81 Cb 0.50 -0.90 0.46 0.00 0.00 0.00 0.00 19.45 19.51 2orl n ALA 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2orl n PHE 82 N -0.73 0.58 0.00 0.00 7.35 -1.26 -4.89 117.46 118.50 2orl n PHE 82 Ca 0.34 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.33 2orl n PHE 82 Cb 1.13 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.98 2orl n PHE 82 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2orl n GLY 83 N -1.34 2.64 0.24 7.13 0.00 -1.26 -4.87 105.19 107.73 2orl n GLY 83 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.04 3.56 -0.02 0.00 -1.26 -4.76 105.19 101.68 2orl n GLY 84 Ca 0.00 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 3.32 0.44 0.99 1.43 -0.93 -4.84 118.68 119.09 2orl s LEU 85 Ca 0.00 -1.08 0.15 0.00 -1.03 0.00 0.00 54.13 52.17 2orl s LEU 85 Cb 0.00 -2.57 1.07 0.00 0.03 0.00 0.00 46.19 44.72 2orl s LEU 85 CO 0.00 -2.20 1.98 0.11 0.23 0.00 0.00 176.35 176.47 2orl h LYS 86 N 10.51 0.36 -5.99 1.70 1.79 -1.86 -3.41 116.57 119.67 2orl h LYS 86 Ca 0.15 -0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 58.10 2orl h LYS 86 Cb 1.00 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 2orl h LYS 86 CO 1.31 0.24 1.36 0.15 -1.08 0.00 0.00 179.45 181.43 2orl s LYS 87 N -5.35 2.69 0.26 3.15 -0.14 -1.26 -4.90 119.74 114.18 2orl s LYS 87 Ca -0.07 0.79 -0.03 0.00 -1.36 0.00 0.00 55.97 55.30 2orl s LYS 87 Cb 0.20 -4.37 0.43 0.00 -1.68 0.00 0.00 37.83 32.41 2orl s LYS 87 CO 0.75 -2.65 1.83 1.49 -0.76 0.00 0.00 175.35 176.01 2orl h GLU 88 N 15.02 0.89 -0.86 1.68 4.81 -2.00 -2.39 114.58 131.74 2orl h GLU 88 Ca -0.27 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2orl h GLU 88 Cb 1.17 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 2orl h GLU 88 CO 1.19 0.59 0.56 0.87 -0.73 0.00 0.00 179.01 181.49 2orl h LYS 89 N 0.92 1.13 -0.55 1.92 1.79 -1.90 -1.77 116.57 118.12 2orl h LYS 89 Ca 0.43 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.77 2orl h LYS 89 Cb 0.35 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2orl h LYS 89 CO -0.23 0.76 0.11 -0.44 -1.08 0.00 0.00 179.45 178.57 2orl h ASP 90 N 1.17 0.85 -0.06 0.86 5.19 -1.84 -3.00 116.42 119.59 2orl h ASP 90 Ca 0.31 -0.25 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 2orl h ASP 90 Cb -0.12 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.16 2orl h ASP 90 CO -0.07 0.88 -0.47 0.03 -3.12 0.00 0.00 179.24 176.49 2orl h ARG 91 N 0.78 0.61 -0.73 3.56 3.08 -1.19 -3.21 114.38 117.28 2orl h ARG 91 Ca 0.17 -0.35 0.14 0.00 0.07 0.00 0.00 59.98 60.01 2orl h ARG 91 Cb 0.37 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.31 2orl h ARG 91 CO 0.01 0.95 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.72 2orl h ASN 92 N 0.49 -0.85 -0.46 7.04 2.35 -1.18 0.06 115.58 123.03 2orl h ASN 92 Ca 0.03 0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 2orl h ASN 92 Cb 1.01 0.51 -0.02 0.00 0.05 0.00 0.00 38.32 39.87 2orl h ASN 92 CO 0.09 -0.26 -0.06 -0.78 -1.65 0.00 0.00 177.43 174.76 2orl h ASP 93 N -0.04 0.89 -0.96 5.81 1.82 -1.61 -3.11 116.42 119.22 2orl h ASP 93 Ca 0.33 -0.26 0.08 0.00 -0.39 0.00 0.00 57.03 56.80 2orl h ASP 93 Cb 0.56 -0.24 -0.07 0.00 0.68 0.00 0.00 39.33 40.25 2orl h ASP 93 CO -0.77 0.99 0.60 -0.07 -1.61 0.00 0.00 179.24 178.38 2orl h LEU 94 N 0.82 0.93 -0.02 2.28 3.38 -1.02 -2.67 115.31 119.01 2orl h LEU 94 Ca 0.14 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2orl h LEU 94 Cb 0.58 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2orl h LEU 94 CO 0.04 0.56 -0.02 0.40 0.09 0.00 0.00 178.44 179.51 2orl h ILE 95 N 1.05 0.95 -0.73 1.22 2.04 -1.25 -1.89 117.51 118.90 2orl h ILE 95 Ca 0.44 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.41 2orl h ILE 95 Cb 0.28 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 2orl h ILE 95 CO -0.21 0.00 0.34 0.74 0.00 0.00 0.00 178.15 179.02 2orl h THR 96 N -0.02 0.77 0.41 -0.27 2.02 -1.52 0.35 112.91 114.65 2orl h THR 96 Ca 0.01 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2orl h THR 96 Cb 0.04 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2orl h THR 96 CO -0.03 0.10 -0.20 0.22 0.37 0.00 0.00 175.52 175.98 2orl h TYR 97 N 0.54 -0.51 -0.90 3.16 3.20 -1.26 -1.52 116.97 119.68 2orl h TYR 97 Ca 0.38 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2orl h TYR 97 Cb 0.48 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2orl h TYR 97 CO -0.13 -0.20 0.53 1.25 -1.64 0.00 0.00 178.16 177.97 2orl h LEU 98 N -0.80 1.10 -1.06 2.82 5.85 -1.08 -2.19 115.31 119.95 2orl h LEU 98 Ca -0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2orl h LEU 98 Cb 0.54 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2orl h LEU 98 CO 0.09 0.86 0.42 0.50 -0.34 0.00 0.00 178.44 179.97 2orl h LYS 99 N 1.25 1.07 0.00 1.25 3.64 -0.33 -1.43 116.57 122.02 2orl h LYS 99 Ca 0.32 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 2orl h LYS 99 Cb -0.02 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2orl h LYS 99 CO -0.06 0.79 -0.62 -0.22 -2.27 0.00 0.00 179.45 177.07 2orl h LYS 100 N 1.08 0.00 0.15 1.90 1.63 -0.70 -2.06 116.57 118.56 2orl h LYS 100 Ca 0.27 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.79 2orl h LYS 100 Cb 0.04 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2orl h LYS 100 CO -0.04 0.62 -1.27 0.00 -3.45 0.00 0.00 179.45 175.30 2orl h ALA 101 N 1.38 0.06 0.21 5.00 0.00 -1.21 -3.36 119.26 121.34 2orl h ALA 101 Ca -0.01 -0.87 -0.34 0.00 0.00 0.00 0.00 54.91 53.69 2orl h ALA 101 Cb 1.20 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2orl h ALA 101 CO 0.08 0.92 -1.64 1.15 0.00 0.00 0.00 179.25 179.76 2orl h THR 102 N 0.09 1.06 0.00 0.00 2.02 -1.31 -3.48 112.91 111.28 2orl h THR 102 Ca -0.15 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.47 2orl h THR 102 Cb 1.99 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 71.26 2orl h THR 102 CO 0.22 0.83 0.00 -1.84 0.37 0.00 0.00 175.52 175.10