#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 3.51 -1.91 -2.82 0.00 -1.26 -5.07 120.64 113.09 2orl n GLU -4 Ca 0.00 -4.64 -0.35 0.00 0.00 0.00 0.00 57.16 52.17 2orl n GLU -4 Cb 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 31.44 29.21 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 -3.63 2.43 -0.20 4.31 5.36 -1.26 -4.88 117.98 120.11 2orl s PHE -3 Ca 0.48 1.54 -0.11 0.00 -0.96 0.00 0.00 56.93 57.89 2orl s PHE -3 Cb 0.32 -3.38 0.07 0.00 -0.34 0.00 0.00 43.02 39.69 2orl s PHE -3 CO -0.17 -2.05 0.49 0.21 -1.46 0.00 0.00 175.22 172.23 2orl s LYS -2 N -3.58 0.47 0.43 10.12 2.47 -1.26 -5.14 119.74 123.23 2orl s LYS -2 Ca 0.74 0.94 -0.26 0.00 -1.56 0.00 0.00 55.97 55.82 2orl s LYS -2 Cb -0.27 0.07 -0.09 0.00 -1.46 0.00 0.00 37.83 36.08 2orl s LYS -2 CO 0.36 -0.17 1.44 0.00 0.16 0.00 0.00 175.35 177.14 2orl s ALA -1 N 1.61 3.34 0.00 3.13 0.00 -1.26 -4.19 121.76 124.39 2orl s ALA -1 Ca -0.09 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2orl s ALA -1 Cb -0.08 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2orl s ALA -1 CO -0.15 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2orl n GLY 1 N 0.55 3.95 3.52 0.00 0.00 -1.26 -4.86 105.19 107.10 2orl n GLY 1 Ca 0.04 -1.70 -0.11 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 0.25 -0.71 0.30 1.61 0.01 -1.26 -4.98 113.70 108.91 2orl s SER 2 Ca 0.00 1.27 0.05 0.00 1.31 0.00 0.00 55.95 58.58 2orl s SER 2 Cb 0.00 1.23 0.76 0.00 0.21 0.00 0.00 66.02 68.22 2orl s SER 2 CO 0.00 -0.22 1.70 0.00 0.41 0.00 0.00 173.24 175.13 2orl h ALA 3 N 5.92 1.50 0.00 1.44 0.00 -1.88 -1.02 119.26 125.22 2orl h ALA 3 Ca -0.30 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2orl h ALA 3 Cb 1.19 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2orl h ALA 3 CO 0.15 -0.34 0.00 1.17 0.00 0.00 0.00 179.25 180.23 2orl n LYS 4 N -5.02 0.42 -0.04 0.00 4.81 -1.26 -2.18 118.16 114.89 2orl n LYS 4 Ca 0.23 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.59 2orl n LYS 4 Cb 0.68 -1.34 -0.03 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 0.19 -0.07 1.64 5.02 -0.40 -4.53 118.16 119.17 2orl n LYS 5 Ca 0.07 0.07 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 2orl n LYS 5 Cb 0.03 -0.95 0.25 0.00 -0.02 0.00 0.00 35.03 34.35 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 0.07 0.74 1.03 0.72 0.00 -1.44 -2.91 103.07 101.28 2orl h GLY 6 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2orl h GLY 6 CO -0.09 0.39 0.62 0.00 0.00 0.00 0.00 176.54 177.47 2orl h ALA 7 N 1.44 1.27 -0.50 3.60 0.00 -1.71 -1.26 119.26 122.10 2orl h ALA 7 Ca 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2orl h ALA 7 Cb 0.28 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2orl h ALA 7 CO 0.00 0.66 -0.01 1.79 0.00 0.00 0.00 179.25 181.69 2orl h THR 8 N 1.33 1.25 0.11 0.00 1.35 -1.75 -1.91 112.91 113.29 2orl h THR 8 Ca 0.35 -1.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2orl h THR 8 Cb -0.12 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2orl h THR 8 CO -0.07 0.37 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.44 2orl h LEU 9 N 0.78 -0.13 -1.40 3.87 3.38 -1.48 -3.19 115.31 117.15 2orl h LEU 9 Ca 0.15 -0.40 0.12 0.00 0.09 0.00 0.00 57.88 57.83 2orl h LEU 9 Cb 0.48 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 2orl h LEU 9 CO 0.02 0.38 0.52 0.15 0.09 0.00 0.00 178.44 179.60 2orl h PHE 10 N -0.68 0.71 0.00 1.13 3.57 -1.28 -2.48 116.94 117.91 2orl h PHE 10 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2orl h PHE 10 Cb 0.52 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2orl h PHE 10 CO 0.09 0.31 0.09 -0.22 -2.23 0.00 0.00 178.31 176.34 2orl h LYS 11 N 0.64 0.00 0.00 1.11 3.64 -1.32 0.37 116.57 121.00 2orl h LYS 11 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2orl h LYS 11 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2orl h LYS 11 CO -0.15 0.00 -0.38 -2.37 -2.27 0.00 0.00 179.45 174.28 2orl n THR 12 N -2.52 0.23 0.00 1.00 5.66 -0.97 -4.44 114.28 113.24 2orl n THR 12 Ca -0.02 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 2orl n THR 12 Cb 0.13 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 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 -0.17 1.31 0.00 1.09 5.12 -0.80 -4.94 116.66 118.26 2orl n ARG 13 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2orl n ARG 13 Cb 0.66 -0.70 0.00 0.00 -1.16 0.00 0.00 32.46 31.26 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 0.68 -1.43 0.00 5.85 -1.04 -1.21 115.31 118.16 2orl h LEU 15 Ca 0.00 0.12 0.41 0.00 0.84 0.00 0.00 57.88 59.25 2orl h LEU 15 Cb 0.75 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.67 2orl h LEU 15 CO 0.00 0.15 0.84 0.06 -0.34 0.00 0.00 178.44 179.15 2orl h GLN 16 N 0.61 0.13 0.00 1.25 3.07 -1.83 -3.23 115.11 115.12 2orl h GLN 16 Ca 0.62 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.35 2orl h GLN 16 Cb 1.16 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.69 2orl h GLN 16 CO -0.43 0.09 -0.81 0.00 0.09 0.00 0.00 178.83 177.76 2orl n HIS 18 N -1.93 -2.52 -3.70 0.00 8.25 -0.50 -1.33 115.22 113.49 2orl n HIS 18 Ca 0.00 -1.68 -0.20 0.00 -0.26 0.00 0.00 57.72 55.58 2orl n HIS 18 Cb 0.41 -0.47 -0.18 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.02 -0.03 0.11 1.59 -4.23 -1.25 -4.57 115.64 105.24 2orl s THR 19 Ca 0.50 0.36 0.11 0.00 -1.18 0.00 0.00 61.69 61.49 2orl s THR 19 Cb -0.04 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.55 2orl s THR 19 CO 0.32 0.19 1.47 1.62 -0.54 0.00 0.00 174.62 177.68 2orl h VAL 20 N 6.41 1.34 -5.52 2.29 3.04 -1.95 0.51 116.25 122.37 2orl h VAL 20 Ca -0.16 -2.53 -0.55 0.00 -1.01 0.00 0.00 66.70 62.45 2orl h VAL 20 Cb 1.12 2.43 -0.06 0.00 -2.01 0.00 0.00 31.29 32.77 2orl h VAL 20 CO 0.19 0.68 -0.30 -1.84 -1.01 0.00 0.00 177.57 175.30 2orl n GLU 21 N -3.47 0.77 -0.93 4.17 -0.00 -1.26 -2.82 120.64 117.10 2orl n GLU 21 Ca 0.00 -3.23 0.03 0.00 -0.00 0.00 0.00 57.16 53.96 2orl n GLU 21 Cb 0.74 0.49 0.38 0.00 -0.00 0.00 0.00 31.44 33.05 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 -1.55 4.59 -0.02 3.44 5.02 -1.26 -4.39 118.16 123.98 2orl n LYS 22 Ca -0.07 -3.12 -0.05 0.00 -2.02 0.00 0.00 58.31 53.06 2orl n LYS 22 Cb 0.58 -2.26 -0.12 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.42 -1.07 3.69 0.72 0.00 -1.26 -4.89 105.19 102.80 2orl n GLY 23 Ca 0.31 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.04 2.26 0.87 -0.02 0.00 -1.26 -5.08 107.32 99.05 2orl s GLY 24 Ca -0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 2orl s GLY 24 CO 0.82 0.94 1.14 2.56 0.00 0.00 0.00 173.10 178.56 2orl s PRO 25 N 1.10 1.38 -0.07 2.90 0.04 -1.26 -4.87 135.00 134.22 2orl s PRO 25 Ca 0.26 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 2orl s PRO 25 Cb -0.15 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2orl s PRO 25 CO 0.10 -2.35 2.04 0.72 0.04 0.00 0.00 177.00 177.55 2orl n HIS 26 N -3.96 2.29 0.00 0.56 8.25 -1.26 -4.89 115.22 116.21 2orl n HIS 26 Ca 0.11 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2orl n HIS 26 Cb 0.52 -2.75 0.00 0.00 1.12 0.00 0.00 29.99 28.88 2orl n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2orl n LYS 27 N 7.79 0.00 0.27 -0.41 4.81 -1.26 -4.89 118.16 124.47 2orl n LYS 27 Ca 0.24 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.82 2orl n LYS 27 Cb 0.39 0.00 0.74 0.00 0.02 0.00 0.00 35.03 36.18 2orl n LYS 27 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2orl h VAL 28 N 0.00 0.41 -3.33 3.15 2.07 -1.74 -3.44 116.25 113.38 2orl h VAL 28 Ca 0.00 -0.56 -0.37 0.00 0.82 0.00 0.00 66.70 66.59 2orl h VAL 28 Cb 0.00 1.40 -0.14 0.00 -1.52 0.00 0.00 31.29 31.02 2orl h VAL 28 CO 0.00 0.10 -0.67 -0.83 0.02 0.00 0.00 177.57 176.19 2orl s GLY 29 N -4.20 1.46 1.16 2.17 0.00 -0.44 -4.98 107.32 102.48 2orl s GLY 29 Ca -0.02 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.82 2orl s GLY 29 CO 0.57 -1.65 1.09 2.56 0.00 0.00 0.00 173.10 175.67 2orl s PRO 30 N -3.84 -0.85 0.13 2.90 0.04 -1.26 -4.57 135.00 127.55 2orl s PRO 30 Ca 0.26 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 2orl s PRO 30 Cb 0.05 -1.62 -0.07 0.00 0.04 0.00 0.00 34.50 32.90 2orl s PRO 30 CO 0.07 -3.51 0.88 1.21 0.04 0.00 0.00 177.00 175.70 2orl s ASN 31 N -3.67 7.45 0.07 6.66 3.84 -1.26 -3.93 114.94 124.09 2orl s ASN 31 Ca 0.69 1.73 0.16 0.00 0.21 0.00 0.00 52.86 55.64 2orl s ASN 31 Cb -0.13 -2.55 -0.13 0.00 -0.55 0.00 0.00 41.25 37.88 2orl s ASN 31 CO 0.57 0.04 0.86 -0.07 -2.79 0.00 0.00 177.10 175.71 2orl h LEU 32 N 5.10 0.00 -8.41 3.21 3.38 -1.15 -3.45 115.31 113.99 2orl h LEU 32 Ca -0.44 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.27 2orl h LEU 32 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2orl h LEU 32 CO 0.70 0.63 0.97 1.57 0.09 0.00 0.00 178.44 182.40 2orl n HIS 33 N -2.94 1.16 -0.17 1.13 -0.00 -1.13 -1.93 115.22 111.34 2orl n HIS 33 Ca -0.09 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2orl n HIS 33 Cb 0.86 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.26 2orl n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2orl n GLY 34 N 6.36 1.82 0.17 1.57 0.00 -1.26 -4.95 105.19 108.89 2orl n GLY 34 Ca 0.46 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 1.32 -1.97 -0.61 3.07 -1.70 -3.44 117.51 114.18 2orl h ILE 35 Ca 0.00 -2.50 -0.59 0.00 1.55 0.00 0.00 64.86 63.33 2orl h ILE 35 Cb 0.08 2.64 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2orl h ILE 35 CO 0.00 0.76 1.41 0.49 -1.05 0.00 0.00 178.15 179.76 2orl n PHE 36 N -3.76 2.06 0.00 0.16 3.72 -1.26 -1.56 117.46 116.81 2orl n PHE 36 Ca -0.12 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2orl n PHE 36 Cb 0.96 -2.72 0.00 0.00 -0.94 0.00 0.00 39.48 36.77 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 5.52 1.27 3.83 1.37 0.00 -0.45 -5.03 105.19 111.70 2orl n GLY 37 Ca 0.29 0.00 -0.22 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 -0.18 2.79 0.45 1.61 0.52 -0.60 -4.87 118.95 118.66 2orl s ARG 38 Ca 0.00 -1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 53.99 2orl s ARG 38 Cb 0.00 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 2orl s ARG 38 CO 0.00 0.25 0.71 -1.01 0.02 0.00 0.00 175.30 175.28 2orl s HIS 39 N -2.23 3.50 0.15 -0.53 3.76 -1.26 -0.23 115.29 118.45 2orl s HIS 39 Ca 0.37 0.62 -0.34 0.00 -0.15 0.00 0.00 55.06 55.55 2orl s HIS 39 Cb -0.07 -2.21 -0.14 0.00 1.11 0.00 0.00 32.58 31.27 2orl s HIS 39 CO 0.25 -0.20 1.58 0.43 -0.85 0.00 0.00 174.74 175.95 2orl n SER 40 N -2.13 3.09 -0.44 1.40 7.64 0.50 -3.45 113.62 120.23 2orl n SER 40 Ca -0.01 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2orl n SER 40 Cb 0.56 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 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 3.43 0.76 0.58 0.23 0.00 -1.26 -4.15 105.19 104.78 2orl n GLY 41 Ca 0.17 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.44 1.33 -1.49 1.61 6.02 -1.22 -4.96 117.38 118.24 2orl n GLN 42 Ca 0.00 -2.98 -0.34 0.00 -0.01 0.00 0.00 57.00 53.68 2orl n GLN 42 Cb 0.31 -1.41 0.08 0.00 1.02 0.00 0.00 30.24 30.24 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 -2.77 2.19 -0.95 -1.58 0.00 -1.26 -4.89 121.76 112.50 2orl s ALA 43 Ca 0.35 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 52.87 2orl s ALA 43 Cb 0.34 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.93 2orl s ALA 43 CO -0.06 -1.75 1.95 0.39 0.00 0.00 0.00 175.76 176.29 2orl n GLU 44 N -2.71 1.73 0.00 0.00 4.71 -1.26 -3.77 120.64 119.33 2orl n GLU 44 Ca 0.12 -2.12 0.00 0.00 -0.01 0.00 0.00 57.16 55.15 2orl n GLU 44 Cb 0.51 -3.16 0.00 0.00 -1.01 0.00 0.00 31.44 27.77 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 4.82 1.38 3.78 0.62 0.00 -1.26 -5.04 105.19 109.49 2orl n GLY 45 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.32 3.67 -0.03 1.61 6.14 -1.25 -5.08 117.35 120.09 2orl s TYR 46 Ca 0.00 1.76 -0.06 0.00 0.64 0.00 0.00 57.07 59.41 2orl s TYR 46 Cb 0.00 -2.91 -0.04 0.00 0.42 0.00 0.00 41.96 39.43 2orl s TYR 46 CO 0.00 0.20 0.22 -1.12 0.64 0.00 0.00 175.55 175.49 2orl s SER 47 N -1.65 6.45 0.28 4.32 0.01 -1.26 -4.55 113.70 117.31 2orl s SER 47 Ca 0.51 0.51 0.10 0.00 1.31 0.00 0.00 55.95 58.37 2orl s SER 47 Cb -0.18 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2orl s SER 47 CO 0.23 0.30 -0.03 -0.31 0.41 0.00 0.00 173.24 173.84 2orl s TYR 48 N -1.22 2.59 0.91 2.43 1.51 -1.26 -5.02 117.35 117.30 2orl s TYR 48 Ca 0.24 -0.29 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 2orl s TYR 48 Cb -0.13 -1.23 0.14 0.00 -0.11 0.00 0.00 41.96 40.63 2orl s TYR 48 CO 0.13 0.60 1.09 0.95 -1.11 0.00 0.00 175.55 177.22 2orl s THR 49 N -2.40 2.53 0.43 -0.71 -4.23 -1.26 -4.86 115.64 105.14 2orl s THR 49 Ca 0.32 0.17 0.15 0.00 -1.18 0.00 0.00 61.69 61.15 2orl s THR 49 Cb -0.05 -2.68 0.34 0.00 1.34 0.00 0.00 72.50 71.45 2orl s THR 49 CO 0.19 -0.22 1.94 -0.78 -0.54 0.00 0.00 174.62 175.21 2orl h ASP 50 N -1.60 0.39 0.59 3.99 1.82 -1.98 -2.56 116.42 117.07 2orl h ASP 50 Ca -0.50 0.02 -0.28 0.00 -0.39 0.00 0.00 57.03 55.87 2orl h ASP 50 Cb 1.29 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 2orl h ASP 50 CO 0.56 0.22 -1.44 0.00 -1.61 0.00 0.00 179.24 176.96 2orl h ALA 51 N 1.66 0.41 -0.22 -0.78 0.00 -1.89 -3.25 119.26 115.20 2orl h ALA 51 Ca 0.33 -1.14 -0.19 0.00 0.00 0.00 0.00 54.91 53.91 2orl h ALA 51 Cb 0.71 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2orl h ALA 51 CO -0.10 1.27 -0.63 -0.97 0.00 0.00 0.00 179.25 178.82 2orl h ASN 52 N 0.04 0.87 0.26 0.00 -0.73 -1.83 -3.02 115.58 111.16 2orl h ASN 52 Ca -0.20 -0.50 -0.01 0.00 1.87 0.00 0.00 56.30 57.46 2orl h ASN 52 Cb 1.95 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 40.29 2orl h ASN 52 CO 0.13 1.28 -0.12 0.40 -0.37 0.00 0.00 177.43 178.75 2orl h ILE 53 N 0.56 0.00 -0.37 2.57 2.04 -1.66 -2.76 117.51 117.90 2orl h ILE 53 Ca -0.01 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.83 2orl h ILE 53 Cb 1.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2orl h ILE 53 CO 0.13 0.00 1.00 0.29 0.00 0.00 0.00 178.15 179.57 2orl n LYS 54 N -3.28 0.02 0.11 2.37 5.02 -1.22 -1.10 118.16 120.08 2orl n LYS 54 Ca -0.04 0.90 -0.20 0.00 -2.02 0.00 0.00 58.31 56.94 2orl n LYS 54 Cb 0.14 -2.36 -0.15 0.00 -0.02 0.00 0.00 35.03 32.64 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 0.39 -5.75 1.97 1.63 -1.35 -3.48 116.57 109.98 2orl h LYS 55 Ca 0.17 -0.67 -0.29 0.00 -0.85 0.00 0.00 60.65 59.01 2orl h LYS 55 Cb 2.18 0.25 -0.12 0.00 -0.60 0.00 0.00 32.23 33.93 2orl h LYS 55 CO -0.00 1.30 -0.45 0.09 -3.45 0.00 0.00 179.45 176.94 2orl n ASN 56 N -3.60 0.14 -4.70 4.20 3.02 -0.26 -4.88 115.26 109.18 2orl n ASN 56 Ca -0.15 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.38 2orl n ASN 56 Cb 1.07 -0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 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 -3.27 4.32 -0.61 2.41 1.01 -1.26 -4.27 120.40 118.73 2orl s VAL 57 Ca 0.10 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.46 2orl s VAL 57 Cb -0.06 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2orl s VAL 57 CO 0.48 0.04 1.70 -0.22 0.00 0.00 0.00 175.10 177.09 2orl s LEU 58 N 1.82 3.30 -0.55 3.92 0.20 -1.26 -0.37 118.68 125.74 2orl s LEU 58 Ca 0.55 0.26 -0.28 0.00 0.69 0.00 0.00 54.13 55.36 2orl s LEU 58 Cb -0.25 -2.67 -0.10 0.00 -0.43 0.00 0.00 46.19 42.74 2orl s LEU 58 CO 0.24 -2.15 2.44 0.79 -0.29 0.00 0.00 176.35 177.38 2orl n TRP 59 N 11.59 1.32 -3.67 5.38 5.03 0.68 -4.68 117.44 133.09 2orl n TRP 59 Ca 0.16 0.16 0.00 0.00 3.03 0.00 0.00 57.50 60.85 2orl n TRP 59 Cb 0.51 -2.59 0.00 0.00 -1.03 0.00 0.00 31.31 28.20 2orl n TRP 59 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 2orl n ASP 60 N 14.31 1.61 -0.15 -0.99 5.75 -1.26 -1.34 116.55 134.48 2orl n ASP 60 Ca 0.42 -0.67 -0.09 0.00 -0.01 0.00 0.00 54.79 54.44 2orl n ASP 60 Cb 0.43 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2orl h GLU 61 N 0.00 0.69 0.00 0.11 4.57 -2.00 -2.19 114.58 115.76 2orl h GLU 61 Ca 0.00 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2orl h GLU 61 Cb 0.00 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2orl h GLU 61 CO 0.00 0.67 -0.02 -0.97 -1.18 0.00 0.00 179.01 177.51 2orl h ASN 62 N 0.58 0.00 -0.77 1.04 -1.24 -1.97 -3.29 115.58 109.93 2orl h ASN 62 Ca 0.14 -0.70 0.07 0.00 0.71 0.00 0.00 56.30 56.52 2orl h ASN 62 Cb 0.27 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.26 2orl h ASN 62 CO -0.00 0.86 0.45 0.78 -1.29 0.00 0.00 177.43 178.23 2orl h ASN 63 N -1.00 0.68 -0.78 1.15 -0.26 -1.83 -2.21 115.58 111.33 2orl h ASN 63 Ca -0.01 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 2orl h ASN 63 Cb 0.71 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.83 2orl h ASN 63 CO -0.00 0.43 0.36 -0.03 -1.06 0.00 0.00 177.43 177.12 2orl h MET 64 N 0.81 1.14 -0.62 0.81 4.05 -1.56 -3.00 114.93 116.55 2orl h MET 64 Ca 0.35 -0.17 -0.07 0.00 -0.28 0.00 0.00 59.70 59.52 2orl h MET 64 Cb 0.21 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 2orl h MET 64 CO -0.19 0.89 0.10 0.77 0.23 0.00 0.00 176.91 178.71 2orl h SER 65 N 1.13 0.97 -0.45 1.39 0.02 -1.48 -1.49 113.55 113.63 2orl h SER 65 Ca 0.27 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2orl h SER 65 Cb 0.14 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 2orl h SER 65 CO -0.03 0.96 0.18 -0.33 -1.14 0.00 0.00 176.83 176.47 2orl h GLU 66 N 0.96 0.35 -0.23 3.45 5.08 -1.30 -2.46 114.58 120.42 2orl h GLU 66 Ca 0.19 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2orl h GLU 66 Cb 0.41 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2orl h GLU 66 CO 0.01 0.23 -0.34 -0.92 -1.00 0.00 0.00 179.01 177.00 2orl h TYR 67 N 0.36 0.79 -0.81 4.33 3.20 -1.44 -3.24 116.97 120.16 2orl h TYR 67 Ca 0.21 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 2orl h TYR 67 Cb 0.18 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2orl h TYR 67 CO -0.14 1.01 0.44 -0.07 -1.64 0.00 0.00 178.16 177.75 2orl h LEU 68 N 0.34 1.02 -0.72 2.82 3.38 -1.12 -1.64 115.31 119.40 2orl h LEU 68 Ca 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2orl h LEU 68 Cb 0.92 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2orl h LEU 68 CO 0.08 0.82 0.32 0.74 0.09 0.00 0.00 178.44 180.49 2orl h THR 69 N 1.14 1.24 -1.17 0.22 2.02 -1.49 -2.03 112.91 112.83 2orl h THR 69 Ca 0.29 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 2orl h THR 69 Cb 0.04 0.38 -0.21 0.00 -1.74 0.00 0.00 68.15 66.62 2orl h THR 69 CO -0.04 0.29 -0.50 0.21 0.37 0.00 0.00 175.52 175.85 2orl s ASN 70 N -6.19 -1.04 0.24 4.18 3.84 -1.14 -4.00 114.94 110.83 2orl s ASN 70 Ca -0.13 -1.01 -0.07 0.00 0.21 0.00 0.00 52.86 51.86 2orl s ASN 70 Cb 0.14 1.70 0.23 0.00 -0.55 0.00 0.00 41.25 42.77 2orl s ASN 70 CO 0.81 -0.18 1.90 1.55 -2.79 0.00 0.00 177.10 178.39 2orl h PRO 71 N 6.85 1.26 -0.50 0.43 0.13 -1.55 -1.97 132.00 136.66 2orl h PRO 71 Ca 0.05 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 2orl h PRO 71 Cb 1.15 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 2orl h PRO 71 CO 0.11 0.87 0.15 0.87 -0.23 0.00 0.00 178.00 179.77 2orl h LYS 72 N 1.29 0.74 0.15 0.86 1.57 -1.83 0.29 116.57 119.65 2orl h LYS 72 Ca 0.34 -0.13 -0.30 0.00 -1.87 0.00 0.00 60.65 58.69 2orl h LYS 72 Cb -0.09 -0.12 0.03 0.00 0.08 0.00 0.00 32.23 32.13 2orl h LYS 72 CO -0.07 0.65 -1.30 -0.22 -0.57 0.00 0.00 179.45 177.95 2orl h LYS 73 N 0.73 0.54 -0.20 3.15 1.63 -1.89 -3.14 116.57 117.39 2orl h LYS 73 Ca 0.17 -0.78 -0.16 0.00 -0.85 0.00 0.00 60.65 59.03 2orl h LYS 73 Cb 0.23 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2orl h LYS 73 CO -0.01 1.36 -0.49 -0.92 -3.45 0.00 0.00 179.45 175.94 2orl h TYR 74 N 0.21 0.87 -3.08 1.91 3.20 -1.26 -3.39 116.97 115.43 2orl h TYR 74 Ca -0.19 -0.33 -0.62 0.00 3.14 0.00 0.00 58.73 60.72 2orl h TYR 74 Cb 1.98 -0.15 -0.40 0.00 1.54 0.00 0.00 36.73 39.69 2orl h TYR 74 CO 0.11 1.12 -0.71 0.42 -1.64 0.00 0.00 178.16 177.46 2orl s ILE 75 N -3.97 1.74 -0.51 1.81 1.01 0.08 -5.09 121.20 116.28 2orl s ILE 75 Ca -0.12 -2.83 -0.27 0.00 0.00 0.00 0.00 60.65 57.44 2orl s ILE 75 Cb 0.08 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2orl s ILE 75 CO 0.85 -0.88 1.96 -2.16 0.00 0.00 0.00 174.94 174.71 2orl s PRO 76 N 0.11 2.71 0.00 2.79 0.04 -1.19 -2.41 135.00 137.05 2orl s PRO 76 Ca 0.18 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2orl s PRO 76 Cb -0.23 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2orl s PRO 76 CO -0.01 -2.61 0.00 0.41 0.04 0.00 0.00 177.00 174.83 2orl n GLY 77 N 5.69 1.21 3.79 0.56 0.00 -1.26 -4.77 105.19 110.41 2orl n GLY 77 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 3.70 -0.12 2.61 -1.32 -1.01 -4.87 115.64 112.63 2orl s THR 78 Ca 0.00 1.17 0.30 0.00 -1.21 0.00 0.00 61.69 61.95 2orl s THR 78 Cb 0.00 -3.54 0.33 0.00 -1.51 0.00 0.00 72.50 67.78 2orl s THR 78 CO 0.00 -0.12 1.88 0.11 -2.21 0.00 0.00 174.62 174.28 2orl h LYS 79 N 1.96 0.00 -5.93 7.08 1.57 -1.99 -3.40 116.57 115.86 2orl h LYS 79 Ca -0.49 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.74 2orl h LYS 79 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 2orl h LYS 79 CO 0.60 0.00 1.51 1.41 -0.57 0.00 0.00 179.45 182.40 2orl s MET 80 N -3.55 3.42 -0.05 3.15 1.75 -1.26 -4.81 119.30 117.96 2orl s MET 80 Ca 0.02 -1.20 0.03 0.00 -1.25 0.00 0.00 55.69 53.29 2orl s MET 80 Cb 0.09 -5.34 0.18 0.00 2.84 0.00 0.00 34.83 32.60 2orl s MET 80 CO 0.46 -2.56 0.81 0.00 -0.65 0.00 0.00 175.02 173.08 2orl n ALA 81 N 10.07 2.78 0.15 4.11 0.00 -1.26 -4.51 120.51 131.84 2orl n ALA 81 Ca 0.39 -0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2orl n ALA 81 Cb 0.49 -1.02 0.40 0.00 0.00 0.00 0.00 19.45 19.31 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 0.12 0.50 0.00 0.00 7.35 -1.26 -4.88 117.46 119.28 2orl n PHE 82 Ca 0.06 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 2orl n PHE 82 Cb 0.43 -0.79 0.00 0.00 0.35 0.00 0.00 39.48 39.47 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 -1.29 2.16 0.00 7.13 0.00 -1.26 -4.83 105.19 107.10 2orl n GLY 83 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.45 3.56 -0.02 0.00 -1.26 -4.64 105.19 104.29 2orl n GLY 84 Ca 0.00 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 3.39 0.52 0.99 1.43 -0.76 -4.80 118.68 119.44 2orl s LEU 85 Ca 0.00 -1.27 0.21 0.00 -1.03 0.00 0.00 54.13 52.04 2orl s LEU 85 Cb 0.00 -2.57 1.32 0.00 0.03 0.00 0.00 46.19 44.97 2orl s LEU 85 CO 0.00 -1.98 2.06 0.11 0.23 0.00 0.00 176.35 176.77 2orl h LYS 86 N 10.14 0.02 -6.29 1.70 1.79 -1.85 -3.41 116.57 118.68 2orl h LYS 86 Ca 0.18 -0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.11 2orl h LYS 86 Cb 0.99 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.59 2orl h LYS 86 CO 1.35 0.01 1.18 0.15 -1.08 0.00 0.00 179.45 181.06 2orl s LYS 87 N -5.06 3.15 0.22 3.15 -0.14 -1.26 -4.93 119.74 114.87 2orl s LYS 87 Ca -0.05 0.59 -0.08 0.00 -1.36 0.00 0.00 55.97 55.07 2orl s LYS 87 Cb 0.18 -4.20 0.30 0.00 -1.68 0.00 0.00 37.83 32.44 2orl s LYS 87 CO 0.71 -2.12 1.79 1.49 -0.76 0.00 0.00 175.35 176.46 2orl h GLU 88 N 12.15 0.62 -0.96 1.68 4.81 -2.00 -2.53 114.58 128.35 2orl h GLU 88 Ca -0.28 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.01 2orl h GLU 88 Cb 1.12 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 2orl h GLU 88 CO 1.17 0.41 0.60 0.87 -0.73 0.00 0.00 179.01 181.34 2orl h LYS 89 N 0.64 1.00 -0.50 1.92 1.79 -1.91 -0.09 116.57 119.41 2orl h LYS 89 Ca 0.33 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.71 2orl h LYS 89 Cb 0.30 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2orl h LYS 89 CO -0.24 0.66 0.18 -0.44 -1.08 0.00 0.00 179.45 178.53 2orl h ASP 90 N 1.03 0.71 -0.01 0.86 5.19 -1.86 -3.02 116.42 119.32 2orl h ASP 90 Ca 0.45 -0.19 -0.18 0.00 -0.62 0.00 0.00 57.03 56.49 2orl h ASP 90 Cb 0.32 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 2orl h ASP 90 CO -0.22 0.71 -0.62 0.03 -3.12 0.00 0.00 179.24 176.01 2orl h ARG 91 N 0.68 0.62 -0.91 3.56 3.08 -1.12 -3.19 114.38 117.10 2orl h ARG 91 Ca 0.16 -0.43 0.17 0.00 0.07 0.00 0.00 59.98 59.96 2orl h ARG 91 Cb 0.23 0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.18 2orl h ARG 91 CO -0.01 1.05 -0.27 -0.91 -1.07 0.00 0.00 179.97 178.76 2orl h ASN 92 N 0.46 -0.98 -0.15 7.04 2.35 -0.90 0.20 115.58 123.60 2orl h ASN 92 Ca -0.01 0.28 -0.22 0.00 -0.55 0.00 0.00 56.30 55.80 2orl h ASN 92 Cb 1.20 0.60 0.01 0.00 0.05 0.00 0.00 38.32 40.18 2orl h ASN 92 CO 0.12 -0.30 -0.77 -0.78 -1.65 0.00 0.00 177.43 174.05 2orl h ASP 93 N -0.01 0.93 -0.96 5.81 1.82 -1.65 -3.23 116.42 119.12 2orl h ASP 93 Ca 0.41 -0.63 0.05 0.00 -0.39 0.00 0.00 57.03 56.46 2orl h ASP 93 Cb 0.65 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.33 2orl h ASP 93 CO -0.93 1.41 0.63 -0.07 -1.61 0.00 0.00 179.24 178.67 2orl h LEU 94 N 0.51 1.03 0.11 2.28 3.38 -1.06 -2.75 115.31 118.81 2orl h LEU 94 Ca -0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2orl h LEU 94 Cb 1.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2orl h LEU 94 CO 0.16 0.69 -0.05 0.40 0.09 0.00 0.00 178.44 179.73 2orl h ILE 95 N 1.19 0.93 -0.95 1.22 2.04 -0.74 -2.73 117.51 118.48 2orl h ILE 95 Ca 0.39 -0.14 0.14 0.00 1.00 0.00 0.00 64.86 66.25 2orl h ILE 95 Cb 0.06 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 2orl h ILE 95 CO -0.13 0.04 0.60 0.74 0.00 0.00 0.00 178.15 179.40 2orl h THR 96 N -0.21 0.86 0.62 -0.27 2.02 -1.53 0.19 112.91 114.59 2orl h THR 96 Ca -0.01 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2orl h THR 96 Cb 0.17 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2orl h THR 96 CO 0.02 0.15 -0.30 0.22 0.37 0.00 0.00 175.52 175.99 2orl h TYR 97 N 0.83 -0.77 -0.26 3.16 3.20 -1.21 -0.36 116.97 121.56 2orl h TYR 97 Ca 0.48 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 2orl h TYR 97 Cb 0.63 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 2orl h TYR 97 CO -0.00 -0.44 0.12 1.25 -1.64 0.00 0.00 178.16 177.45 2orl h LEU 98 N -1.00 0.34 -0.84 2.82 5.85 -1.21 -2.50 115.31 118.77 2orl h LEU 98 Ca -0.09 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.63 2orl h LEU 98 Cb 0.68 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 2orl h LEU 98 CO 0.14 0.37 0.44 0.50 -0.34 0.00 0.00 178.44 179.55 2orl h LYS 99 N 0.28 0.64 0.00 1.25 3.64 -0.69 -0.92 116.57 120.77 2orl h LYS 99 Ca 0.09 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 2orl h LYS 99 Cb 0.13 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2orl h LYS 99 CO -0.01 0.43 -0.53 -0.22 -2.27 0.00 0.00 179.45 176.84 2orl h LYS 100 N 0.66 0.00 0.14 1.90 1.63 -0.77 -2.52 116.57 117.61 2orl h LYS 100 Ca 0.44 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.96 2orl h LYS 100 Cb 0.57 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2orl h LYS 100 CO -0.33 0.53 -1.26 0.00 -3.45 0.00 0.00 179.45 174.94 2orl h ALA 101 N 1.47 0.07 0.09 5.00 0.00 -0.99 -3.34 119.26 121.55 2orl h ALA 101 Ca -0.01 -0.87 -0.28 0.00 0.00 0.00 0.00 54.91 53.75 2orl h ALA 101 Cb 1.02 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.86 2orl h ALA 101 CO 0.07 0.92 -1.18 1.15 0.00 0.00 0.00 179.25 180.21 2orl h THR 102 N 0.09 1.32 0.00 0.00 2.02 -1.18 -3.46 112.91 111.70 2orl h THR 102 Ca -0.15 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2orl h THR 102 Cb 1.98 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 71.03 2orl h THR 102 CO 0.21 0.76 0.00 -1.84 0.37 0.00 0.00 175.52 175.02