#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 3.31 -1.77 -2.82 0.00 -1.26 -5.05 120.64 113.06 2orl n GLU -4 Ca 0.00 -4.03 -0.37 0.00 0.00 0.00 0.00 57.16 52.76 2orl n GLU -4 Cb 0.00 -2.29 0.06 0.00 0.00 0.00 0.00 31.44 29.22 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 -3.92 2.12 -0.21 4.31 5.36 -1.26 -4.88 117.98 119.50 2orl s PHE -3 Ca 0.49 1.50 -0.10 0.00 -0.96 0.00 0.00 56.93 57.86 2orl s PHE -3 Cb 0.39 -3.65 0.08 0.00 -0.34 0.00 0.00 43.02 39.50 2orl s PHE -3 CO -0.30 -2.79 0.49 0.21 -1.46 0.00 0.00 175.22 171.37 2orl s LYS -2 N -3.41 0.45 0.43 10.12 2.20 -1.26 -5.14 119.74 123.13 2orl s LYS -2 Ca 0.81 1.03 -0.25 0.00 -0.36 0.00 0.00 55.97 57.20 2orl s LYS -2 Cb -0.36 0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.09 2orl s LYS -2 CO 0.39 -0.19 1.31 0.00 -0.36 0.00 0.00 175.35 176.50 2orl n ALA -1 N 4.77 1.47 -2.78 3.13 0.00 -1.26 -4.23 120.51 121.61 2orl n ALA -1 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2orl n ALA -1 Cb 0.53 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 0.76 4.46 3.44 0.00 0.00 -1.26 -4.87 105.19 107.71 2orl n GLY 1 Ca 0.06 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 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 0.56 -0.56 0.31 1.61 0.01 -1.26 -5.02 113.70 109.35 2orl s SER 2 Ca 0.00 1.04 0.07 0.00 1.31 0.00 0.00 55.95 58.37 2orl s SER 2 Cb 0.00 1.05 0.80 0.00 0.21 0.00 0.00 66.02 68.08 2orl s SER 2 CO 0.00 -0.22 1.74 0.00 0.41 0.00 0.00 173.24 175.17 2orl h ALA 3 N 5.11 1.69 0.00 1.44 0.00 -1.89 -1.24 119.26 124.38 2orl h ALA 3 Ca -0.28 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2orl h ALA 3 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2orl h ALA 3 CO 0.18 -0.19 0.00 1.17 0.00 0.00 0.00 179.25 180.42 2orl n LYS 4 N -4.86 0.65 -0.02 0.00 4.81 -1.26 -2.68 118.16 114.81 2orl n LYS 4 Ca 0.25 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.63 2orl n LYS 4 Cb 0.66 -1.34 -0.02 0.00 0.02 0.00 0.00 35.03 34.36 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 0.14 -0.28 1.64 5.02 -0.48 -4.51 118.16 118.85 2orl n LYS 5 Ca 0.10 0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.51 2orl n LYS 5 Cb 0.05 -0.74 0.29 0.00 -0.02 0.00 0.00 35.03 34.61 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 -0.24 1.26 0.99 0.72 0.00 -1.58 -2.73 103.07 101.49 2orl h GLY 6 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2orl h GLY 6 CO -0.07 0.24 0.03 0.00 0.00 0.00 0.00 176.54 176.74 2orl h ALA 7 N 1.55 0.07 -0.97 3.60 0.00 -1.78 -1.90 119.26 119.83 2orl h ALA 7 Ca 0.39 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.48 2orl h ALA 7 Cb 0.33 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2orl h ALA 7 CO -0.16 -0.44 0.61 1.79 0.00 0.00 0.00 179.25 181.05 2orl h THR 8 N 0.07 0.74 0.43 0.00 1.35 -1.71 0.23 112.91 114.01 2orl h THR 8 Ca 0.02 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 2orl h THR 8 Cb -0.00 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2orl h THR 8 CO -0.01 0.12 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.11 2orl h LEU 9 N 0.68 -0.49 -1.19 3.87 3.38 -1.50 -3.19 115.31 116.87 2orl h LEU 9 Ca 0.53 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.62 2orl h LEU 9 Cb 0.92 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 2orl h LEU 9 CO -0.29 -0.06 0.60 0.15 0.09 0.00 0.00 178.44 178.93 2orl h PHE 10 N -1.12 0.92 0.00 1.13 3.04 -1.15 -1.15 116.94 118.62 2orl h PHE 10 Ca -0.06 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2orl h PHE 10 Cb 0.48 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.70 2orl h PHE 10 CO 0.01 0.32 0.00 1.17 -2.02 0.00 0.00 178.31 177.79 2orl n LYS 11 N -4.60 0.01 -0.70 1.11 4.81 0.79 0.20 118.16 119.78 2orl n LYS 11 Ca 0.19 0.21 0.02 0.00 -0.87 0.00 0.00 58.31 57.85 2orl n LYS 11 Cb 0.47 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 34.04 2orl n LYS 11 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2orl n THR 12 N -1.49 0.18 0.00 3.15 5.66 -0.65 -4.55 114.28 116.59 2orl n THR 12 Ca 0.04 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2orl n THR 12 Cb 0.19 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 -0.01 0.00 -0.04 1.09 5.12 -0.53 -4.96 116.66 117.33 2orl n ARG 13 Ca 0.03 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.91 2orl n ARG 13 Cb 0.80 -0.32 -0.06 0.00 -1.16 0.00 0.00 32.46 31.72 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 0.85 -1.36 0.00 5.85 -0.48 -1.82 115.31 118.35 2orl h LEU 15 Ca -0.22 0.07 0.47 0.00 0.84 0.00 0.00 57.88 59.05 2orl h LEU 15 Cb 1.49 -0.09 -0.14 0.00 0.37 0.00 0.00 40.66 42.29 2orl h LEU 15 CO 0.01 0.38 0.86 0.06 -0.34 0.00 0.00 178.44 179.40 2orl h GLN 16 N 0.87 0.01 0.00 1.25 3.07 -1.84 -3.13 115.11 115.35 2orl h GLN 16 Ca 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.28 2orl h GLN 16 Cb 0.71 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.27 2orl h GLN 16 CO -0.33 0.01 -0.83 0.00 0.09 0.00 0.00 178.83 177.78 2orl s HIS 18 N -1.83 2.44 -0.10 0.00 3.76 -0.70 -1.33 115.29 117.52 2orl s HIS 18 Ca 0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2orl s HIS 18 Cb 0.00 -2.62 0.02 0.00 1.11 0.00 0.00 32.58 31.09 2orl s HIS 18 CO 0.00 -0.93 -0.09 0.95 -0.85 0.00 0.00 174.74 173.82 2orl s THR 19 N -2.70 1.10 -0.06 1.30 -4.23 -1.26 -4.51 115.64 105.28 2orl s THR 19 Ca 0.59 -0.37 0.17 0.00 -1.18 0.00 0.00 61.69 60.90 2orl s THR 19 Cb -0.09 -1.08 0.10 0.00 1.34 0.00 0.00 72.50 72.77 2orl s THR 19 CO 0.38 0.37 1.55 1.62 -0.54 0.00 0.00 174.62 178.00 2orl h VAL 20 N 6.11 0.83 -5.04 2.29 3.04 -1.96 -2.83 116.25 118.69 2orl h VAL 20 Ca -0.31 -1.96 -0.49 0.00 -1.01 0.00 0.00 66.70 62.93 2orl h VAL 20 Cb 1.15 2.25 -0.08 0.00 -2.01 0.00 0.00 31.29 32.60 2orl h VAL 20 CO 0.44 0.44 -0.32 -1.84 -1.01 0.00 0.00 177.57 175.27 2orl n GLU 21 N -3.30 0.98 -0.98 4.17 -0.00 -1.26 -4.08 120.64 116.16 2orl n GLU 21 Ca 0.01 -2.82 -0.08 0.00 -0.00 0.00 0.00 57.16 54.27 2orl n GLU 21 Cb 0.66 0.61 0.26 0.00 -0.00 0.00 0.00 31.44 32.96 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 -1.17 3.02 -0.01 3.44 5.02 -1.26 -4.44 118.16 122.77 2orl n LYS 22 Ca -0.11 -3.07 0.08 0.00 -2.02 0.00 0.00 58.31 53.18 2orl n LYS 22 Cb 0.50 -2.11 -0.12 0.00 -0.02 0.00 0.00 35.03 33.28 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 -0.57 -0.69 3.73 0.72 0.00 -1.26 -4.97 105.19 102.14 2orl n GLY 23 Ca 0.42 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.73 2.54 0.78 -0.02 0.00 -1.26 -5.07 107.32 100.56 2orl s GLY 24 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 2orl s GLY 24 CO 0.64 0.97 1.20 2.56 0.00 0.00 0.00 173.10 178.47 2orl s PRO 25 N 0.59 1.80 -0.24 2.90 0.04 -1.26 -4.87 135.00 133.95 2orl s PRO 25 Ca 0.32 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 2orl s PRO 25 Cb -0.17 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2orl s PRO 25 CO 0.15 -2.09 2.06 -1.01 0.04 0.00 0.00 177.00 176.15 2orl s HIS 26 N -2.12 1.40 0.00 0.56 3.76 -1.26 -4.89 115.29 112.73 2orl s HIS 26 Ca 0.73 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 2orl s HIS 26 Cb -0.29 -4.00 0.00 0.00 1.11 0.00 0.00 32.58 29.40 2orl s HIS 26 CO 0.49 -3.75 0.00 1.63 -0.85 0.00 0.00 174.74 172.26 2orl n LYS 27 N 8.58 3.00 0.31 1.40 5.02 -1.24 -4.86 118.16 130.37 2orl n LYS 27 Ca 0.27 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.75 2orl n LYS 27 Cb 0.45 0.00 0.99 0.00 -0.02 0.00 0.00 35.03 36.45 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 0.16 -3.46 -0.18 2.07 -1.82 -3.43 116.25 109.59 2orl h VAL 28 Ca 0.00 -0.21 -0.44 0.00 0.82 0.00 0.00 66.70 66.87 2orl h VAL 28 Cb 0.00 1.17 -0.18 0.00 -1.52 0.00 0.00 31.29 30.76 2orl h VAL 28 CO 0.00 0.02 -0.76 -0.83 0.02 0.00 0.00 177.57 176.02 2orl s GLY 29 N -4.16 1.18 1.12 2.17 0.00 -0.45 -4.99 107.32 102.20 2orl s GLY 29 Ca -0.03 -1.37 -0.16 0.00 0.00 0.00 0.00 44.72 43.15 2orl s GLY 29 CO 0.49 -1.43 1.10 2.56 0.00 0.00 0.00 173.10 175.82 2orl s PRO 30 N -2.79 -0.53 0.06 2.90 0.04 -1.26 -4.39 135.00 129.01 2orl s PRO 30 Ca 0.12 0.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.03 2orl s PRO 30 Cb -0.05 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2orl s PRO 30 CO 0.04 -3.30 0.99 1.21 0.04 0.00 0.00 177.00 175.98 2orl s ASN 31 N -3.71 7.40 -0.00 6.66 3.84 -1.26 -4.01 114.94 123.85 2orl s ASN 31 Ca 0.69 1.76 0.21 0.00 0.21 0.00 0.00 52.86 55.73 2orl s ASN 31 Cb -0.14 -2.58 -0.22 0.00 -0.55 0.00 0.00 41.25 37.77 2orl s ASN 31 CO 0.57 -0.19 0.82 0.18 -2.79 0.00 0.00 177.10 175.68 2orl n LEU 32 N 3.39 0.71 -4.56 3.21 4.77 -1.07 -4.75 117.00 118.70 2orl n LEU 32 Ca 0.05 -0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 55.44 2orl n LEU 32 Cb 0.50 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2orl n LEU 32 CO 0.52 0.17 1.46 -2.28 -1.33 0.00 0.00 177.39 175.93 2orl s HIS 33 N -3.14 1.43 0.00 -1.77 2.46 -1.25 -2.13 115.29 110.89 2orl s HIS 33 Ca 0.04 1.27 0.00 0.00 0.47 0.00 0.00 55.06 56.84 2orl s HIS 33 Cb 0.15 -3.77 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2orl s HIS 33 CO 0.87 -1.92 0.00 0.41 -2.47 0.00 0.00 174.74 171.63 2orl n GLY 34 N 6.50 1.37 0.29 1.59 0.00 -1.26 -4.92 105.19 108.75 2orl n GLY 34 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 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 1.26 -1.57 -0.61 3.07 -1.77 -3.43 117.51 114.45 2orl h ILE 35 Ca 0.00 -1.13 -0.65 0.00 1.55 0.00 0.00 64.86 64.63 2orl h ILE 35 Cb 0.00 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 2orl h ILE 35 CO 0.00 0.40 1.25 0.49 -1.05 0.00 0.00 178.15 179.24 2orl n PHE 36 N -4.18 1.95 0.00 0.16 3.72 -1.26 -0.89 117.46 116.97 2orl n PHE 36 Ca 0.02 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2orl n PHE 36 Cb 0.35 -2.59 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 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 5.42 0.39 3.79 1.37 0.00 -0.48 -5.05 105.19 110.63 2orl n GLY 37 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.83 2.35 0.42 1.61 0.52 -0.06 -4.89 118.95 118.06 2orl s ARG 38 Ca 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 2orl s ARG 38 Cb 0.00 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 2orl s ARG 38 CO 0.00 -0.14 0.64 -1.01 0.02 0.00 0.00 175.30 174.81 2orl s HIS 39 N -2.55 3.31 0.51 -0.53 3.76 -1.26 -1.08 115.29 117.46 2orl s HIS 39 Ca 0.44 0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 55.39 2orl s HIS 39 Cb 0.01 -2.19 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 2orl s HIS 39 CO 0.25 -0.21 1.37 0.43 -0.85 0.00 0.00 174.74 175.73 2orl n SER 40 N -1.99 2.86 -0.86 1.40 7.64 -0.13 -3.93 113.62 118.61 2orl n SER 40 Ca -0.00 1.03 -0.01 0.00 1.01 0.00 0.00 58.87 60.90 2orl n SER 40 Cb 0.57 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2orl n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2orl n GLY 41 N 0.71 0.65 0.23 0.23 0.00 -1.26 -4.48 105.19 101.26 2orl n GLY 41 Ca 0.09 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.90 1.21 -1.86 1.61 6.02 -1.25 -4.98 117.38 117.22 2orl n GLN 42 Ca -0.01 -2.57 -0.42 0.00 -0.01 0.00 0.00 57.00 54.00 2orl n GLN 42 Cb 0.50 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.33 2orl n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2orl s ALA 43 N -2.66 3.78 -1.23 -1.58 0.00 -1.26 -4.91 121.76 113.91 2orl s ALA 43 Ca 0.31 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 53.52 2orl s ALA 43 Cb 0.28 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2orl s ALA 43 CO 0.01 -0.86 1.86 -1.21 0.00 0.00 0.00 175.76 175.56 2orl s GLU 44 N 0.42 3.03 0.00 0.00 8.01 -1.26 -3.38 118.70 125.53 2orl s GLU 44 Ca 0.67 -1.48 0.00 0.00 0.01 0.00 0.00 54.97 54.17 2orl s GLU 44 Cb -0.46 -5.35 0.00 0.00 -4.31 0.00 0.00 34.13 24.01 2orl s GLU 44 CO 0.38 -3.37 0.00 0.41 0.01 0.00 0.00 175.26 172.69 2orl n GLY 45 N 5.65 1.98 3.14 -1.39 0.00 -1.26 -5.03 105.19 108.28 2orl n GLY 45 Ca 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.31 0.30 1.61 6.14 -1.22 -4.98 117.35 116.89 2orl s TYR 46 Ca 0.00 0.75 -0.17 0.00 0.64 0.00 0.00 57.07 58.29 2orl s TYR 46 Cb 0.00 0.10 -0.09 0.00 0.42 0.00 0.00 41.96 42.39 2orl s TYR 46 CO 0.00 -0.16 0.75 -1.12 0.64 0.00 0.00 175.55 175.66 2orl s SER 47 N 0.39 6.89 0.36 4.32 0.01 -1.26 -4.60 113.70 119.80 2orl s SER 47 Ca -0.02 1.36 0.09 0.00 1.31 0.00 0.00 55.95 58.69 2orl s SER 47 Cb -0.04 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 2orl s SER 47 CO -0.02 -0.14 0.00 -0.31 0.41 0.00 0.00 173.24 173.19 2orl s TYR 48 N -1.84 2.51 0.70 2.43 2.02 -1.26 -5.01 117.35 116.90 2orl s TYR 48 Ca 0.51 -0.51 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 2orl s TYR 48 Cb -0.12 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2orl s TYR 48 CO 0.18 0.47 1.09 0.95 -1.57 0.00 0.00 175.55 176.67 2orl s THR 49 N -2.58 3.60 0.41 -0.71 -4.23 -1.26 -4.95 115.64 105.92 2orl s THR 49 Ca 0.35 0.52 0.12 0.00 -1.18 0.00 0.00 61.69 61.50 2orl s THR 49 Cb 0.03 -3.51 0.32 0.00 1.34 0.00 0.00 72.50 70.68 2orl s THR 49 CO 0.19 -0.68 1.95 -0.78 -0.54 0.00 0.00 174.62 174.76 2orl h ASP 50 N -0.63 0.47 0.65 3.99 3.58 -1.96 -2.71 116.42 119.81 2orl h ASP 50 Ca -0.45 0.01 -0.27 0.00 0.42 0.00 0.00 57.03 56.74 2orl h ASP 50 Cb 1.25 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2orl h ASP 50 CO 0.64 0.28 -1.33 0.00 -2.88 0.00 0.00 179.24 175.94 2orl h ALA 51 N 1.66 0.30 -0.18 -0.78 0.00 -1.94 -3.24 119.26 115.09 2orl h ALA 51 Ca 0.32 -1.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.00 2orl h ALA 51 Cb 0.54 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2orl h ALA 51 CO -0.10 1.18 -0.65 -0.97 0.00 0.00 0.00 179.25 178.70 2orl h ASN 52 N 0.04 0.78 0.10 0.00 -0.73 -1.85 -3.10 115.58 110.82 2orl h ASN 52 Ca -0.16 -0.46 -0.00 0.00 1.87 0.00 0.00 56.30 57.55 2orl h ASN 52 Cb 1.94 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.30 2orl h ASN 52 CO 0.15 1.23 -0.05 0.40 -0.37 0.00 0.00 177.43 178.80 2orl h ILE 53 N 0.49 0.00 -0.34 2.57 2.04 -1.66 -2.93 117.51 117.69 2orl h ILE 53 Ca -0.02 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.88 2orl h ILE 53 Cb 1.25 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2orl h ILE 53 CO 0.13 0.00 0.89 0.29 0.00 0.00 0.00 178.15 179.46 2orl n LYS 54 N -2.52 0.02 0.11 2.37 5.02 -1.22 -0.72 118.16 121.22 2orl n LYS 54 Ca -0.02 0.80 -0.18 0.00 -2.02 0.00 0.00 58.31 56.89 2orl n LYS 54 Cb 0.05 -2.09 -0.14 0.00 -0.02 0.00 0.00 35.03 32.82 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 0.34 -5.96 1.97 1.63 -1.43 -3.48 116.57 109.62 2orl h LYS 55 Ca 0.16 -0.58 -0.38 0.00 -0.85 0.00 0.00 60.65 59.00 2orl h LYS 55 Cb 1.94 0.21 -0.18 0.00 -0.60 0.00 0.00 32.23 33.61 2orl h LYS 55 CO -0.00 1.26 -0.58 0.09 -3.45 0.00 0.00 179.45 176.77 2orl n ASN 56 N -3.57 -0.18 -4.74 4.20 3.02 0.10 -4.87 115.26 109.21 2orl n ASN 56 Ca -0.12 -0.78 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 2orl n ASN 56 Cb 1.05 -0.98 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 -3.19 2.78 -0.71 2.41 0.11 -1.26 -4.30 120.40 116.24 2orl s VAL 57 Ca 0.23 0.64 -0.26 0.00 -2.93 0.00 0.00 61.98 59.66 2orl s VAL 57 Cb -0.13 -3.41 0.04 0.00 -1.53 0.00 0.00 36.38 31.35 2orl s VAL 57 CO 0.62 0.10 1.18 -0.22 -3.33 0.00 0.00 175.10 173.45 2orl s LEU 58 N -0.16 3.54 -0.40 2.54 2.96 -1.26 -0.95 118.68 124.94 2orl s LEU 58 Ca 0.60 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.65 2orl s LEU 58 Cb -0.41 -2.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.66 2orl s LEU 58 CO 0.41 -1.70 2.34 0.79 -1.32 0.00 0.00 176.35 176.87 2orl n TRP 59 N 8.83 1.60 -4.09 5.38 5.03 -0.24 -4.86 117.44 129.08 2orl n TRP 59 Ca 0.01 0.05 -0.12 0.00 3.03 0.00 0.00 57.50 60.47 2orl n TRP 59 Cb 0.48 -2.65 -0.02 0.00 -1.03 0.00 0.00 31.31 28.09 2orl n TRP 59 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 2orl n ASP 60 N 13.69 2.28 0.24 -0.99 2.03 -1.26 -1.38 116.55 131.17 2orl n ASP 60 Ca 0.36 -1.85 -0.15 0.00 0.52 0.00 0.00 54.79 53.67 2orl n ASP 60 Cb 0.46 0.09 -0.08 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.59 0.01 -0.67 4.57 -2.01 -2.97 114.58 112.93 2orl h GLU 61 Ca -0.16 0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 2orl h GLU 61 Cb 0.51 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2orl h GLU 61 CO 0.26 -0.30 -0.32 -0.97 -1.18 0.00 0.00 179.01 176.51 2orl h ASN 62 N -0.85 0.25 -0.94 1.04 -1.24 -1.98 -3.35 115.58 108.51 2orl h ASN 62 Ca -0.06 -0.82 0.23 0.00 0.71 0.00 0.00 56.30 56.36 2orl h ASN 62 Cb 0.57 -0.08 -0.12 0.00 0.73 0.00 0.00 38.32 39.42 2orl h ASN 62 CO 0.10 1.04 0.48 -1.13 -1.29 0.00 0.00 177.43 176.64 2orl h ASN 63 N -0.51 0.48 -0.96 1.15 -0.73 -1.90 -1.23 115.58 111.88 2orl h ASN 63 Ca -0.04 0.14 0.16 0.00 1.87 0.00 0.00 56.30 58.43 2orl h ASN 63 Cb 1.10 0.09 -0.09 0.00 0.27 0.00 0.00 38.32 39.69 2orl h ASN 63 CO 0.06 0.05 0.61 -0.03 -0.37 0.00 0.00 177.43 177.75 2orl h MET 64 N 0.48 0.75 -0.33 6.67 4.05 -1.65 -0.78 114.93 124.13 2orl h MET 64 Ca 0.59 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.85 2orl h MET 64 Cb 1.12 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 2orl h MET 64 CO -0.50 0.50 -0.28 0.77 0.23 0.00 0.00 176.91 177.63 2orl h SER 65 N 0.77 0.71 -0.64 1.39 0.02 -1.42 -1.99 113.55 112.39 2orl h SER 65 Ca 0.51 -0.27 0.12 0.00 -0.84 0.00 0.00 61.79 61.31 2orl h SER 65 Cb 0.77 -0.20 -0.12 0.00 0.14 0.00 0.00 62.40 62.99 2orl h SER 65 CO -0.28 0.95 -0.25 -0.08 -1.14 0.00 0.00 176.83 176.04 2orl h GLU 66 N 0.59 -0.08 0.08 3.45 4.81 -1.07 -1.36 114.58 121.00 2orl h GLU 66 Ca 0.07 0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 59.04 2orl h GLU 66 Cb 0.78 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.20 2orl h GLU 66 CO 0.06 -0.05 -1.15 -0.92 -0.73 0.00 0.00 179.01 176.23 2orl h TYR 67 N -0.08 0.81 -0.90 0.92 3.20 -1.56 -3.34 116.97 116.03 2orl h TYR 67 Ca 0.28 -0.50 0.04 0.00 3.14 0.00 0.00 58.73 61.70 2orl h TYR 67 Cb 0.53 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2orl h TYR 67 CO -0.59 1.35 0.59 -0.07 -1.64 0.00 0.00 178.16 177.79 2orl h LEU 68 N 0.24 0.95 -1.08 2.82 3.38 -0.56 -1.94 115.31 119.12 2orl h LEU 68 Ca -0.14 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2orl h LEU 68 Cb 1.81 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.29 2orl h LEU 68 CO 0.21 0.64 0.62 0.74 0.09 0.00 0.00 178.44 180.74 2orl h THR 69 N 1.10 1.11 -1.06 0.22 2.02 -1.40 -2.68 112.91 112.22 2orl h THR 69 Ca 0.36 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 2orl h THR 69 Cb 0.07 -0.13 -0.20 0.00 -1.74 0.00 0.00 68.15 66.15 2orl h THR 69 CO -0.12 0.21 -0.47 0.21 0.37 0.00 0.00 175.52 175.72 2orl s ASN 70 N -6.00 -1.37 0.35 4.18 3.84 -1.02 -4.39 114.94 110.53 2orl s ASN 70 Ca -0.12 -0.84 0.04 0.00 0.21 0.00 0.00 52.86 52.16 2orl s ASN 70 Cb 0.20 1.88 0.66 0.00 -0.55 0.00 0.00 41.25 43.44 2orl s ASN 70 CO 0.81 -0.17 1.94 1.55 -2.79 0.00 0.00 177.10 178.43 2orl h PRO 71 N 6.99 0.60 -0.24 0.43 0.13 -1.58 -2.73 132.00 135.60 2orl h PRO 71 Ca 0.05 -0.09 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 2orl h PRO 71 Cb 1.17 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2orl h PRO 71 CO 0.11 0.52 -0.37 0.87 -0.23 0.00 0.00 178.00 178.89 2orl h LYS 72 N 0.60 0.54 -0.05 0.86 6.56 -1.84 -0.38 116.57 122.86 2orl h LYS 72 Ca 0.14 -0.26 -0.23 0.00 -1.06 0.00 0.00 60.65 59.24 2orl h LYS 72 Cb 0.15 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.82 2orl h LYS 72 CO -0.01 0.83 -0.90 -0.22 -2.06 0.00 0.00 179.45 177.09 2orl h LYS 73 N 0.46 0.58 0.14 3.15 1.63 -1.90 -3.16 116.57 117.46 2orl h LYS 73 Ca 0.05 -0.56 -0.22 0.00 -0.85 0.00 0.00 60.65 59.07 2orl h LYS 73 Cb 0.85 0.14 0.02 0.00 -0.60 0.00 0.00 32.23 32.65 2orl h LYS 73 CO 0.07 1.18 -0.94 -0.92 -3.45 0.00 0.00 179.45 175.39 2orl h TYR 74 N 0.35 0.68 -3.17 1.91 3.20 -1.49 -3.41 116.97 115.04 2orl h TYR 74 Ca -0.08 -0.47 -0.63 0.00 3.14 0.00 0.00 58.73 60.70 2orl h TYR 74 Cb 1.53 -0.04 -0.41 0.00 1.54 0.00 0.00 36.73 39.35 2orl h TYR 74 CO 0.07 1.35 -0.68 0.42 -1.64 0.00 0.00 178.16 177.68 2orl s ILE 75 N -2.63 2.06 -0.12 1.81 1.01 -0.15 -5.06 121.20 118.11 2orl s ILE 75 Ca -0.12 -3.05 -0.29 0.00 0.00 0.00 0.00 60.65 57.18 2orl s ILE 75 Cb 0.02 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 2orl s ILE 75 CO 0.86 -0.86 1.69 -2.16 0.00 0.00 0.00 174.94 174.47 2orl s PRO 76 N -0.09 3.97 0.00 2.79 0.04 -1.19 -2.62 135.00 137.90 2orl s PRO 76 Ca 0.18 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2orl s PRO 76 Cb -0.23 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2orl s PRO 76 CO -0.01 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.34 2orl n GLY 77 N 4.45 0.43 3.76 0.56 0.00 -1.26 -4.73 105.19 108.39 2orl n GLY 77 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2orl n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2orl n THR 78 N -1.54 3.29 0.27 2.61 5.66 -1.08 -4.94 114.28 118.56 2orl n THR 78 Ca 0.00 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.64 2orl n THR 78 Cb 0.00 -1.78 0.76 0.00 -1.55 0.00 0.00 70.33 67.76 2orl n THR 78 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2orl h LYS 79 N 1.91 0.00 -6.17 1.09 1.57 -1.98 -3.42 116.57 109.58 2orl h LYS 79 Ca -0.51 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.74 2orl h LYS 79 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 2orl h LYS 79 CO 0.59 0.10 1.26 1.41 -0.57 0.00 0.00 179.45 182.24 2orl s MET 80 N -4.10 2.97 -0.21 3.15 1.75 -1.26 -4.84 119.30 116.76 2orl s MET 80 Ca -0.02 0.70 0.15 0.00 -1.25 0.00 0.00 55.69 55.26 2orl s MET 80 Cb 0.12 -4.27 0.59 0.00 2.84 0.00 0.00 34.83 34.12 2orl s MET 80 CO 0.57 -2.32 1.51 0.00 -0.65 0.00 0.00 175.02 174.12 2orl n ALA 81 N 11.27 3.35 0.17 4.11 0.00 -1.26 -4.70 120.51 133.44 2orl n ALA 81 Ca 0.18 -2.32 0.19 0.00 0.00 0.00 0.00 53.44 51.48 2orl n ALA 81 Cb 0.50 -0.82 0.80 0.00 0.00 0.00 0.00 19.45 19.93 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 2.14 0.00 0.00 0.00 3.57 -1.97 -3.47 116.94 117.22 2orl h PHE 82 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2orl h PHE 82 Cb 1.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.35 2orl h PHE 82 CO 0.69 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.18 2orl n GLY 83 N -1.42 2.75 0.48 2.40 0.00 -1.26 -4.95 105.19 103.19 2orl n GLY 83 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.09 3.56 -0.02 0.00 -1.26 -4.84 105.19 100.53 2orl n GLY 84 Ca 0.00 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 0.37 0.99 1.43 -1.01 -4.82 118.68 118.96 2orl s LEU 85 Ca 0.00 -0.85 0.07 0.00 -1.03 0.00 0.00 54.13 52.32 2orl s LEU 85 Cb 0.00 -2.56 0.78 0.00 0.03 0.00 0.00 46.19 44.44 2orl s LEU 85 CO 0.00 -1.88 1.96 0.11 0.23 0.00 0.00 176.35 176.77 2orl h LYS 86 N 10.62 0.69 -6.37 1.70 1.79 -1.85 -3.39 116.57 119.77 2orl h LYS 86 Ca -0.01 -0.04 -0.55 0.00 -2.18 0.00 0.00 60.65 57.87 2orl h LYS 86 Cb 1.04 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 31.48 2orl h LYS 86 CO 1.33 0.46 1.14 0.15 -1.08 0.00 0.00 179.45 181.45 2orl s LYS 87 N -5.64 3.28 0.26 3.15 1.02 -1.26 -4.92 119.74 115.62 2orl s LYS 87 Ca -0.09 0.65 -0.04 0.00 0.02 0.00 0.00 55.97 56.50 2orl s LYS 87 Cb 0.19 -4.14 0.33 0.00 -0.52 0.00 0.00 37.83 33.69 2orl s LYS 87 CO 0.77 -1.95 1.91 1.49 -0.92 0.00 0.00 175.35 176.65 2orl h GLU 88 N 11.59 1.25 -0.94 1.68 4.81 -2.00 -2.69 114.58 128.28 2orl h GLU 88 Ca -0.27 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 2orl h GLU 88 Cb 1.11 -0.28 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 2orl h GLU 88 CO 1.15 0.83 0.61 0.87 -0.73 0.00 0.00 179.01 181.74 2orl h LYS 89 N 1.29 1.13 -0.56 1.92 1.79 -1.91 -0.64 116.57 119.58 2orl h LYS 89 Ca 0.39 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.70 2orl h LYS 89 Cb -0.03 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.35 2orl h LYS 89 CO -0.12 0.75 -0.00 -0.44 -1.08 0.00 0.00 179.45 178.56 2orl h ASP 90 N 1.16 0.98 0.05 0.86 5.19 -1.90 -3.11 116.42 119.64 2orl h ASP 90 Ca 0.38 -0.31 -0.17 0.00 -0.62 0.00 0.00 57.03 56.31 2orl h ASP 90 Cb 0.04 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.28 2orl h ASP 90 CO -0.12 1.05 -0.59 0.03 -3.12 0.00 0.00 179.24 176.49 2orl h ARG 91 N 0.88 0.55 -0.69 3.56 3.08 -1.09 -3.22 114.38 117.45 2orl h ARG 91 Ca 0.16 -0.37 0.11 0.00 0.07 0.00 0.00 59.98 59.95 2orl h ARG 91 Cb 0.55 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.52 2orl h ARG 91 CO 0.03 0.98 -0.38 -0.91 -1.07 0.00 0.00 179.97 178.62 2orl h ASN 92 N 0.42 -1.35 -0.75 7.04 2.35 -1.07 0.02 115.58 122.24 2orl h ASN 92 Ca -0.00 0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 2orl h ASN 92 Cb 1.14 0.66 -0.03 0.00 0.05 0.00 0.00 38.32 40.13 2orl h ASN 92 CO 0.11 -0.31 0.33 -0.78 -1.65 0.00 0.00 177.43 175.13 2orl h ASP 93 N -0.14 1.03 -0.96 5.81 1.82 -1.64 -2.92 116.42 119.42 2orl h ASP 93 Ca 0.24 -0.14 0.06 0.00 -0.39 0.00 0.00 57.03 56.80 2orl h ASP 93 Cb 0.56 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.24 2orl h ASP 93 CO -0.76 0.90 0.63 -0.07 -1.61 0.00 0.00 179.24 178.32 2orl h LEU 94 N 1.10 0.99 -0.33 2.28 3.38 -1.06 -2.77 115.31 118.91 2orl h LEU 94 Ca 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2orl h LEU 94 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2orl h LEU 94 CO -0.03 0.64 0.07 0.40 0.09 0.00 0.00 178.44 179.61 2orl h ILE 95 N 1.13 1.23 -0.57 1.22 2.04 -0.98 -2.77 117.51 118.81 2orl h ILE 95 Ca 0.41 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.56 2orl h ILE 95 Cb 0.15 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2orl h ILE 95 CO -0.15 0.26 0.24 0.74 0.00 0.00 0.00 178.15 179.24 2orl h THR 96 N 0.37 0.84 0.64 -0.27 2.02 -1.44 0.37 112.91 115.45 2orl h THR 96 Ca 0.10 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2orl h THR 96 Cb 0.32 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2orl h THR 96 CO 0.00 0.08 -0.31 0.22 0.37 0.00 0.00 175.52 175.88 2orl h TYR 97 N 0.44 -0.82 -0.60 3.16 3.20 -1.39 -0.53 116.97 120.43 2orl h TYR 97 Ca 0.28 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.16 2orl h TYR 97 Cb 0.28 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 2orl h TYR 97 CO -0.14 -0.50 0.36 1.25 -1.64 0.00 0.00 178.16 177.48 2orl h LEU 98 N -0.87 0.57 -0.87 2.82 5.85 -1.26 -2.09 115.31 119.46 2orl h LEU 98 Ca -0.09 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.76 2orl h LEU 98 Cb 0.67 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 2orl h LEU 98 CO 0.14 0.39 0.50 0.50 -0.34 0.00 0.00 178.44 179.63 2orl h LYS 99 N 0.69 0.76 0.00 1.25 3.64 -0.16 -0.95 116.57 121.81 2orl h LYS 99 Ca 0.25 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2orl h LYS 99 Cb 0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2orl h LYS 99 CO -0.12 0.50 -0.47 -0.22 -2.27 0.00 0.00 179.45 176.88 2orl h LYS 100 N 0.79 0.00 0.08 1.90 1.63 -0.41 -1.11 116.57 119.45 2orl h LYS 100 Ca 0.44 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.99 2orl h LYS 100 Cb 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2orl h LYS 100 CO -0.28 0.47 -1.12 0.00 -3.45 0.00 0.00 179.45 175.07 2orl h ALA 101 N 1.53 0.22 0.20 5.00 0.00 -1.03 -3.35 119.26 121.84 2orl h ALA 101 Ca -0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 54.91 53.75 2orl h ALA 101 Cb 0.83 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.62 2orl h ALA 101 CO 0.06 0.94 -1.60 1.15 0.00 0.00 0.00 179.25 179.79 2orl h THR 102 N 0.11 1.07 0.00 0.00 2.02 -1.13 -3.47 112.91 111.51 2orl h THR 102 Ca -0.11 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.52 2orl h THR 102 Cb 1.81 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 71.09 2orl h THR 102 CO 0.18 0.83 0.00 -1.84 0.37 0.00 0.00 175.52 175.06