#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 0.67 -2.46 -2.82 0.00 -1.26 -5.11 120.64 109.66 2orl n GLU -4 Ca 0.00 -2.85 -0.43 0.00 0.00 0.00 0.00 57.16 53.88 2orl n GLU -4 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 31.44 30.10 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 -0.59 2.80 -0.23 4.31 5.36 -1.26 -4.81 117.98 123.56 2orl s PHE -3 Ca 0.34 0.95 -0.05 0.00 -0.96 0.00 0.00 56.93 57.21 2orl s PHE -3 Cb 0.17 -3.81 -0.02 0.00 -0.34 0.00 0.00 43.02 39.02 2orl s PHE -3 CO -0.15 -1.53 0.01 0.15 -1.46 0.00 0.00 175.22 172.24 2orl s LYS -2 N 3.97 3.55 0.41 10.12 1.02 -1.26 -5.09 119.74 132.45 2orl s LYS -2 Ca 0.54 -0.54 -0.25 0.00 0.02 0.00 0.00 55.97 55.73 2orl s LYS -2 Cb -0.17 -3.15 -0.10 0.00 -0.52 0.00 0.00 37.83 33.89 2orl s LYS -2 CO 0.20 -0.14 1.19 0.00 -0.92 0.00 0.00 175.35 175.68 2orl n ALA -1 N 4.70 0.91 -2.64 5.17 0.00 -1.26 -4.11 120.51 123.28 2orl n ALA -1 Ca -0.17 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2orl n ALA -1 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 3.97 3.62 0.00 0.00 -1.26 -4.85 105.19 107.60 2orl n GLY 1 Ca 0.07 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 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 0.27 -0.70 0.28 1.61 0.01 -1.26 -5.03 113.70 108.89 2orl s SER 2 Ca 0.00 1.27 0.02 0.00 1.31 0.00 0.00 55.95 58.55 2orl s SER 2 Cb 0.00 1.26 0.69 0.00 0.21 0.00 0.00 66.02 68.19 2orl s SER 2 CO 0.00 -0.29 1.67 0.00 0.41 0.00 0.00 173.24 175.04 2orl h ALA 3 N 4.61 1.31 0.00 1.44 0.00 -1.90 0.12 119.26 124.84 2orl h ALA 3 Ca -0.28 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2orl h ALA 3 Cb 1.16 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2orl h ALA 3 CO 0.10 -0.40 0.00 1.17 0.00 0.00 0.00 179.25 180.12 2orl n LYS 4 N -5.14 0.90 -0.05 0.00 4.81 -1.26 -2.90 118.16 114.52 2orl n LYS 4 Ca 0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.55 2orl n LYS 4 Cb 0.65 -1.37 -0.03 0.00 0.02 0.00 0.00 35.03 34.30 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 -0.87 0.34 -0.09 1.64 5.02 -0.00 -4.46 118.16 119.74 2orl n LYS 5 Ca 0.16 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.66 2orl n LYS 5 Cb 0.07 -1.09 0.43 0.00 -0.02 0.00 0.00 35.03 34.42 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 -0.63 0.70 0.65 0.72 0.00 -1.59 -2.82 103.07 100.10 2orl h GLY 6 Ca -0.13 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.00 2orl h GLY 6 CO -0.08 0.18 -0.09 0.00 0.00 0.00 0.00 176.54 176.55 2orl h ALA 7 N 1.68 -0.02 -1.00 3.60 0.00 -1.78 -2.35 119.26 119.40 2orl h ALA 7 Ca 0.25 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.41 2orl h ALA 7 Cb 0.25 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 2orl h ALA 7 CO -0.07 -0.55 0.62 1.79 0.00 0.00 0.00 179.25 181.04 2orl h THR 8 N -0.11 0.63 0.40 0.00 1.35 -1.72 0.55 112.91 114.01 2orl h THR 8 Ca 0.07 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.70 2orl h THR 8 Cb 0.21 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 2orl h THR 8 CO -0.16 0.11 -0.19 -0.07 -0.25 0.00 0.00 175.52 174.96 2orl h LEU 9 N 0.61 -0.45 -1.08 3.87 3.38 -1.57 -3.22 115.31 116.85 2orl h LEU 9 Ca 0.58 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.47 2orl h LEU 9 Cb 1.12 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 2orl h LEU 9 CO -0.36 -0.02 0.62 0.15 0.09 0.00 0.00 178.44 178.92 2orl h PHE 10 N -1.02 1.17 0.00 1.13 3.04 -1.06 -2.15 116.94 118.04 2orl h PHE 10 Ca -0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2orl h PHE 10 Cb 0.53 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.64 2orl h PHE 10 CO 0.02 0.71 0.00 1.17 -2.02 0.00 0.00 178.31 178.19 2orl n LYS 11 N -4.42 0.38 -0.01 1.11 3.00 0.19 -0.24 118.16 118.17 2orl n LYS 11 Ca 0.12 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2orl n LYS 11 Cb 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.59 2orl n LYS 11 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2orl n THR 12 N -1.13 0.11 0.00 3.15 5.66 -1.02 -4.54 114.28 116.51 2orl n THR 12 Ca 0.10 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2orl n THR 12 Cb 0.09 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 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 -0.06 0.00 -0.05 1.09 5.12 -0.84 -4.91 116.66 117.01 2orl n ARG 13 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 2orl n ARG 13 Cb 0.48 -0.65 -0.10 0.00 -1.16 0.00 0.00 32.46 31.03 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 0.78 -1.57 0.00 5.85 -1.36 -1.11 115.31 117.90 2orl h LEU 15 Ca -0.29 0.08 0.40 0.00 0.84 0.00 0.00 57.88 58.90 2orl h LEU 15 Cb 1.63 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.49 2orl h LEU 15 CO 0.02 0.33 0.88 0.06 -0.34 0.00 0.00 178.44 179.38 2orl h GLN 16 N 0.79 0.13 0.00 1.25 3.07 -1.86 -3.16 115.11 115.33 2orl h GLN 16 Ca 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.27 2orl h GLN 16 Cb 0.81 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.34 2orl h GLN 16 CO -0.32 0.09 -0.85 0.00 0.09 0.00 0.00 178.83 177.83 2orl n HIS 18 N -1.88 -2.36 -3.66 0.00 8.25 -0.45 -0.97 115.22 114.14 2orl n HIS 18 Ca 0.00 -0.72 -0.06 0.00 -0.26 0.00 0.00 57.72 56.68 2orl n HIS 18 Cb 0.43 -0.17 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.38 -0.62 -0.05 1.59 -4.23 -1.26 -4.56 115.64 106.12 2orl s THR 19 Ca 0.18 0.08 0.16 0.00 -1.18 0.00 0.00 61.69 60.93 2orl s THR 19 Cb -0.01 -0.82 0.07 0.00 1.34 0.00 0.00 72.50 73.08 2orl s THR 19 CO 0.11 0.03 1.52 1.62 -0.54 0.00 0.00 174.62 177.36 2orl h VAL 20 N 5.90 0.90 -2.34 2.29 3.04 -1.94 -1.70 116.25 122.40 2orl h VAL 20 Ca -0.21 -2.08 -0.51 0.00 -1.01 0.00 0.00 66.70 62.90 2orl h VAL 20 Cb 1.13 2.31 -0.04 0.00 -2.01 0.00 0.00 31.29 32.68 2orl h VAL 20 CO 0.14 0.48 -0.49 -1.61 -1.01 0.00 0.00 177.57 175.08 2orl s GLU 21 N -3.12 3.17 0.00 4.17 8.01 -1.26 -3.17 118.70 126.50 2orl s GLU 21 Ca 0.03 -0.85 0.31 0.00 0.01 0.00 0.00 54.97 54.47 2orl s GLU 21 Cb 0.09 -2.75 1.70 0.00 -4.31 0.00 0.00 34.13 28.86 2orl s GLU 21 CO 0.73 0.44 2.13 1.63 0.01 0.00 0.00 175.26 180.21 2orl n LYS 22 N -1.01 0.75 0.13 1.61 5.02 -1.26 -3.60 118.16 119.80 2orl n LYS 22 Ca -0.08 -0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.31 2orl n LYS 22 Cb 0.56 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.45 2orl n LYS 22 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2orl h GLY 23 N 5.00 0.00 -6.66 0.72 0.00 -1.97 -3.44 103.07 96.72 2orl h GLY 23 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2orl h GLY 23 CO 0.00 0.00 0.03 -0.32 0.00 0.00 0.00 176.54 176.25 2orl s GLY 24 N -3.70 1.85 0.83 4.60 0.00 -1.24 -5.07 107.32 104.59 2orl s GLY 24 Ca 0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 44.72 44.16 2orl s GLY 24 CO 0.59 1.28 1.17 2.56 0.00 0.00 0.00 173.10 178.71 2orl s PRO 25 N 2.31 1.57 -0.31 2.90 0.04 -1.26 -4.86 135.00 135.38 2orl s PRO 25 Ca 0.23 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 2orl s PRO 25 Cb -0.16 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2orl s PRO 25 CO 0.09 -2.24 1.96 -1.01 0.04 0.00 0.00 177.00 175.84 2orl s HIS 26 N -2.39 1.56 0.00 0.56 3.76 -1.26 -4.86 115.29 112.66 2orl s HIS 26 Ca 0.70 0.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.24 2orl s HIS 26 Cb -0.25 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.40 2orl s HIS 26 CO 0.53 -3.30 0.00 1.63 -0.85 0.00 0.00 174.74 172.75 2orl n LYS 27 N 8.58 0.28 0.27 1.40 5.02 -1.24 -4.87 118.16 127.60 2orl n LYS 27 Ca 0.26 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.69 2orl n LYS 27 Cb 0.47 0.00 0.76 0.00 -0.02 0.00 0.00 35.03 36.24 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 0.42 -3.29 -0.18 2.07 -1.79 -3.44 116.25 110.04 2orl h VAL 28 Ca 0.00 -0.50 -0.46 0.00 0.82 0.00 0.00 66.70 66.56 2orl h VAL 28 Cb 0.00 1.35 -0.17 0.00 -1.52 0.00 0.00 31.29 30.96 2orl h VAL 28 CO 0.00 0.09 -0.76 -0.83 0.02 0.00 0.00 177.57 176.10 2orl s GLY 29 N -4.19 1.28 1.00 2.17 0.00 -0.15 -4.99 107.32 102.44 2orl s GLY 29 Ca -0.02 -1.47 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 2orl s GLY 29 CO 0.56 -1.54 1.09 2.56 0.00 0.00 0.00 173.10 175.78 2orl s PRO 30 N -3.03 0.41 0.06 2.90 0.04 -1.26 -4.47 135.00 129.65 2orl s PRO 30 Ca 0.15 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 2orl s PRO 30 Cb -0.04 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2orl s PRO 30 CO 0.05 -2.74 1.13 1.21 0.04 0.00 0.00 177.00 176.69 2orl s ASN 31 N -3.47 7.18 0.15 6.66 3.84 -1.26 -4.21 114.94 123.82 2orl s ASN 31 Ca 0.65 1.93 0.23 0.00 0.21 0.00 0.00 52.86 55.89 2orl s ASN 31 Cb -0.18 -2.58 0.15 0.00 -0.55 0.00 0.00 41.25 38.09 2orl s ASN 31 CO 0.57 -0.39 1.16 -0.07 -2.79 0.00 0.00 177.10 175.58 2orl h LEU 32 N 6.61 0.00 -8.46 3.21 3.38 -1.59 -3.46 115.31 115.00 2orl h LEU 32 Ca -0.42 -0.14 -0.25 0.00 0.09 0.00 0.00 57.88 57.16 2orl h LEU 32 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2orl h LEU 32 CO 0.79 0.07 0.85 -2.28 0.09 0.00 0.00 178.44 177.96 2orl s HIS 33 N -3.26 1.17 0.00 1.13 2.46 -1.19 -1.80 115.29 113.80 2orl s HIS 33 Ca 0.03 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.22 2orl s HIS 33 Cb 0.12 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 29.00 2orl s HIS 33 CO 0.76 -2.04 0.00 0.41 -2.47 0.00 0.00 174.74 171.40 2orl n GLY 34 N 6.40 1.30 0.24 1.59 0.00 -1.26 -4.92 105.19 108.53 2orl n GLY 34 Ca 0.40 0.00 -0.10 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 1.25 -1.79 -0.61 3.07 -1.68 -3.42 117.51 114.34 2orl h ILE 35 Ca 0.00 -0.97 -0.61 0.00 1.55 0.00 0.00 64.86 64.83 2orl h ILE 35 Cb 0.00 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 2orl h ILE 35 CO 0.00 0.34 1.34 0.49 -1.05 0.00 0.00 178.15 179.27 2orl n PHE 36 N -4.41 2.02 0.00 0.16 3.72 -1.26 -1.03 117.46 116.66 2orl n PHE 36 Ca 0.01 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2orl n PHE 36 Cb 0.27 -2.67 0.00 0.00 -0.94 0.00 0.00 39.48 36.14 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 5.48 0.49 3.73 1.37 0.00 0.20 -5.02 105.19 111.45 2orl n GLY 37 Ca 0.30 0.00 -0.24 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 -0.74 2.31 0.56 1.61 0.52 -0.20 -4.90 118.95 118.11 2orl s ARG 38 Ca 0.00 -1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 53.51 2orl s ARG 38 Cb 0.00 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 33.37 2orl s ARG 38 CO 0.00 0.02 0.84 -1.01 0.02 0.00 0.00 175.30 175.17 2orl s HIS 39 N -2.49 3.22 0.41 -0.53 3.76 -1.26 -1.02 115.29 117.37 2orl s HIS 39 Ca 0.39 0.50 -0.26 0.00 -0.15 0.00 0.00 55.06 55.54 2orl s HIS 39 Cb -0.00 -2.64 -0.09 0.00 1.11 0.00 0.00 32.58 30.96 2orl s HIS 39 CO 0.23 -0.72 1.37 -1.12 -0.85 0.00 0.00 174.74 173.65 2orl s SER 40 N -4.29 6.23 0.00 1.40 0.01 0.28 -3.91 113.70 113.42 2orl s SER 40 Ca 0.53 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.59 2orl s SER 40 Cb -0.10 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2orl s SER 40 CO 0.43 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2orl n GLY 41 N 0.62 0.89 0.47 3.44 0.00 -1.26 -4.35 105.19 104.99 2orl n GLY 41 Ca 0.03 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.54 1.54 -1.99 1.61 6.02 -1.25 -4.93 117.38 117.83 2orl n GLN 42 Ca 0.00 -3.05 -0.41 0.00 -0.01 0.00 0.00 57.00 53.53 2orl n GLN 42 Cb 0.47 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 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 -3.11 3.63 -1.19 -1.58 0.00 -1.26 -4.91 121.76 113.33 2orl s ALA 43 Ca 0.37 1.36 -0.18 0.00 0.00 0.00 0.00 51.96 53.50 2orl s ALA 43 Cb 0.34 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 2orl s ALA 43 CO -0.03 -0.77 2.01 0.39 0.00 0.00 0.00 175.76 177.36 2orl n GLU 44 N 2.14 2.37 0.00 0.00 4.71 -1.26 -3.37 120.64 125.22 2orl n GLU 44 Ca 0.06 -2.50 0.00 0.00 -0.01 0.00 0.00 57.16 54.71 2orl n GLU 44 Cb 0.40 -3.28 0.00 0.00 -1.01 0.00 0.00 31.44 27.55 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 4.69 1.49 3.11 0.62 0.00 -1.26 -5.05 105.19 108.79 2orl n GLY 45 Ca 0.50 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.82 1.08 -0.02 1.61 6.14 -1.22 -5.01 117.35 118.11 2orl s TYR 46 Ca 0.00 -0.32 -0.08 0.00 0.64 0.00 0.00 57.07 57.31 2orl s TYR 46 Cb 0.00 -0.65 -0.05 0.00 0.42 0.00 0.00 41.96 41.68 2orl s TYR 46 CO 0.00 0.01 0.25 -1.54 0.64 0.00 0.00 175.55 174.91 2orl s SER 47 N -0.98 6.51 0.31 4.32 1.04 -1.26 -4.56 113.70 119.08 2orl s SER 47 Ca 0.01 0.58 0.08 0.00 0.48 0.00 0.00 55.95 57.10 2orl s SER 47 Cb -0.07 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 2orl s SER 47 CO 0.01 0.30 0.14 -0.31 0.98 0.00 0.00 173.24 174.36 2orl s TYR 48 N -1.21 2.78 0.83 5.02 1.51 -1.26 -5.02 117.35 120.01 2orl s TYR 48 Ca 0.24 -0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 55.88 2orl s TYR 48 Cb -0.13 -1.54 0.09 0.00 -0.11 0.00 0.00 41.96 40.27 2orl s TYR 48 CO 0.13 0.40 1.11 0.95 -1.11 0.00 0.00 175.55 177.02 2orl s THR 49 N -2.35 2.79 0.43 -0.71 -4.23 -1.26 -4.89 115.64 105.41 2orl s THR 49 Ca 0.36 0.26 0.15 0.00 -1.18 0.00 0.00 61.69 61.28 2orl s THR 49 Cb -0.04 -2.98 0.35 0.00 1.34 0.00 0.00 72.50 71.16 2orl s THR 49 CO 0.23 -0.33 1.93 -0.78 -0.54 0.00 0.00 174.62 175.13 2orl h ASP 50 N -1.22 0.39 0.46 3.99 3.58 -1.97 -2.71 116.42 118.94 2orl h ASP 50 Ca -0.48 0.02 -0.30 0.00 0.42 0.00 0.00 57.03 56.69 2orl h ASP 50 Cb 1.28 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2orl h ASP 50 CO 0.59 0.21 -1.55 0.00 -2.88 0.00 0.00 179.24 175.62 2orl h ALA 51 N 1.66 0.33 -0.24 -0.78 0.00 -1.91 -3.25 119.26 115.06 2orl h ALA 51 Ca 0.35 -1.15 -0.15 0.00 0.00 0.00 0.00 54.91 53.95 2orl h ALA 51 Cb 0.77 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2orl h ALA 51 CO -0.11 1.20 -0.48 -0.97 0.00 0.00 0.00 179.25 178.89 2orl h ASN 52 N 0.06 0.70 0.12 0.00 -0.73 -1.84 -2.98 115.58 110.90 2orl h ASN 52 Ca -0.25 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 57.57 2orl h ASN 52 Cb 2.00 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 40.40 2orl h ASN 52 CO 0.15 1.06 -0.06 0.40 -0.37 0.00 0.00 177.43 178.61 2orl h ILE 53 N 0.51 0.00 -0.33 2.57 2.04 -1.66 -2.84 117.51 117.80 2orl h ILE 53 Ca 0.03 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.92 2orl h ILE 53 Cb 1.02 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2orl h ILE 53 CO 0.10 0.00 0.94 0.29 0.00 0.00 0.00 178.15 179.48 2orl n LYS 54 N -2.62 0.02 0.11 2.37 5.02 -1.23 -1.11 118.16 120.73 2orl n LYS 54 Ca -0.02 0.85 -0.19 0.00 -2.02 0.00 0.00 58.31 56.92 2orl n LYS 54 Cb 0.06 -2.22 -0.15 0.00 -0.02 0.00 0.00 35.03 32.70 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 0.37 -5.54 1.97 1.63 -1.34 -3.48 116.57 110.18 2orl h LYS 55 Ca 0.16 -0.63 -0.35 0.00 -0.85 0.00 0.00 60.65 58.98 2orl h LYS 55 Cb 2.04 0.23 -0.19 0.00 -0.60 0.00 0.00 32.23 33.71 2orl h LYS 55 CO -0.00 1.29 -0.51 0.09 -3.45 0.00 0.00 179.45 176.87 2orl n ASN 56 N -3.59 -0.59 -4.70 4.20 3.02 -0.27 -4.86 115.26 108.47 2orl n ASN 56 Ca -0.13 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 2orl n ASN 56 Cb 1.06 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 -2.65 3.53 -0.68 2.41 0.11 -1.26 -4.19 120.40 117.67 2orl s VAL 57 Ca 0.34 1.00 -0.27 0.00 -2.93 0.00 0.00 61.98 60.12 2orl s VAL 57 Cb -0.20 -3.64 0.03 0.00 -1.53 0.00 0.00 36.38 31.03 2orl s VAL 57 CO 0.56 0.03 1.31 -0.22 -3.33 0.00 0.00 175.10 173.45 2orl s LEU 58 N 1.95 3.25 -0.04 2.54 0.20 -1.26 -0.56 118.68 124.77 2orl s LEU 58 Ca 0.65 -0.21 -0.30 0.00 0.69 0.00 0.00 54.13 54.96 2orl s LEU 58 Cb -0.34 -2.74 -0.08 0.00 -0.43 0.00 0.00 46.19 42.61 2orl s LEU 58 CO 0.28 -1.79 2.05 0.79 -0.29 0.00 0.00 176.35 177.40 2orl n TRP 59 N 9.41 2.35 -4.13 5.38 7.02 -0.19 -4.88 117.44 132.41 2orl n TRP 59 Ca 0.06 -0.30 -0.06 0.00 -1.02 0.00 0.00 57.50 56.18 2orl n TRP 59 Cb 0.49 -2.78 -0.02 0.00 -2.42 0.00 0.00 31.31 26.58 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 8.76 1.31 0.32 -0.99 -0.08 -1.26 -0.63 116.55 123.98 2orl n ASP 60 Ca 0.23 -1.49 -0.16 0.00 -1.51 0.00 0.00 54.79 51.86 2orl n ASP 60 Cb 0.42 0.20 -0.08 0.00 2.34 0.00 0.00 41.12 43.99 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 -0.76 -0.07 -0.67 4.57 -2.01 -1.83 114.58 113.81 2orl h GLU 61 Ca -0.08 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2orl h GLU 61 Cb 0.28 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2orl h GLU 61 CO 0.12 -0.47 -0.09 -0.97 -1.18 0.00 0.00 179.01 176.43 2orl h ASN 62 N -0.90 0.20 -0.67 1.04 -1.24 -1.99 -3.31 115.58 108.71 2orl h ASN 62 Ca -0.08 -0.51 0.09 0.00 0.71 0.00 0.00 56.30 56.51 2orl h ASN 62 Cb 0.64 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.57 2orl h ASN 62 CO 0.13 0.67 0.32 -1.13 -1.29 0.00 0.00 177.43 176.13 2orl h ASN 63 N -0.27 0.40 -0.86 1.15 -0.73 -1.90 -1.83 115.58 111.54 2orl h ASN 63 Ca 0.01 0.06 0.13 0.00 1.87 0.00 0.00 56.30 58.37 2orl h ASN 63 Cb 0.62 -0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.14 2orl h ASN 63 CO 0.02 0.23 0.56 -0.03 -0.37 0.00 0.00 177.43 177.84 2orl h MET 64 N 0.55 0.69 -0.52 6.67 4.05 -1.41 -1.88 114.93 123.08 2orl h MET 64 Ca 0.33 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.61 2orl h MET 64 Cb 0.36 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 2orl h MET 64 CO -0.27 0.46 -0.08 0.77 0.23 0.00 0.00 176.91 178.02 2orl h SER 65 N 0.71 0.94 -0.18 1.39 0.02 -1.43 -2.78 113.55 112.23 2orl h SER 65 Ca 0.42 -0.29 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2orl h SER 65 Cb 0.61 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 2orl h SER 65 CO -0.18 1.04 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.93 2orl h GLU 66 N 0.86 -0.33 -0.72 3.45 5.08 -1.14 -2.64 114.58 119.14 2orl h GLU 66 Ca 0.14 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2orl h GLU 66 Cb 0.62 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2orl h GLU 66 CO 0.04 -0.22 0.27 -0.92 -1.00 0.00 0.00 179.01 177.18 2orl h TYR 67 N -0.34 1.11 -0.89 4.33 3.20 -1.54 -3.07 116.97 119.77 2orl h TYR 67 Ca 0.11 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2orl h TYR 67 Cb 0.52 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 2orl h TYR 67 CO -0.41 0.86 0.58 -0.07 -1.64 0.00 0.00 178.16 177.48 2orl h LEU 68 N 1.03 0.82 -0.90 2.82 3.38 -1.18 -1.91 115.31 119.37 2orl h LEU 68 Ca 0.24 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2orl h LEU 68 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2orl h LEU 68 CO -0.02 0.50 0.29 0.74 0.09 0.00 0.00 178.44 180.04 2orl h THR 69 N 0.92 1.25 -0.87 0.22 2.02 -1.42 0.81 112.91 115.84 2orl h THR 69 Ca 0.40 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2orl h THR 69 Cb 0.35 0.37 -0.19 0.00 -1.74 0.00 0.00 68.15 66.94 2orl h THR 69 CO -0.17 0.32 -0.38 0.21 0.37 0.00 0.00 175.52 175.87 2orl s ASN 70 N -6.41 -1.35 0.18 4.18 3.84 -0.99 -4.33 114.94 110.07 2orl s ASN 70 Ca -0.12 -0.52 -0.12 0.00 0.21 0.00 0.00 52.86 52.31 2orl s ASN 70 Cb 0.16 1.74 0.09 0.00 -0.55 0.00 0.00 41.25 42.69 2orl s ASN 70 CO 0.83 -0.17 1.79 1.55 -2.79 0.00 0.00 177.10 178.31 2orl h PRO 71 N 6.94 0.86 -0.42 0.43 0.13 -1.61 -2.22 132.00 136.10 2orl h PRO 71 Ca 0.02 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2orl h PRO 71 Cb 1.19 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 2orl h PRO 71 CO 0.08 0.65 0.09 0.87 -0.23 0.00 0.00 178.00 179.46 2orl h LYS 72 N 0.83 0.63 -0.05 0.86 1.57 -1.79 -0.74 116.57 117.89 2orl h LYS 72 Ca 0.22 -0.12 -0.23 0.00 -1.87 0.00 0.00 60.65 58.65 2orl h LYS 72 Cb 0.04 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.26 2orl h LYS 72 CO -0.03 0.59 -0.90 -0.22 -0.57 0.00 0.00 179.45 178.31 2orl h LYS 73 N 0.62 0.59 -0.27 3.15 1.63 -1.91 -3.19 116.57 117.18 2orl h LYS 73 Ca 0.14 -0.57 -0.18 0.00 -0.85 0.00 0.00 60.65 59.19 2orl h LYS 73 Cb 0.25 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2orl h LYS 73 CO -0.00 1.18 -0.55 -0.92 -3.45 0.00 0.00 179.45 175.71 2orl h TYR 74 N 0.36 1.04 -3.28 1.91 3.20 -1.19 -3.40 116.97 115.61 2orl h TYR 74 Ca -0.08 -0.37 -0.61 0.00 3.14 0.00 0.00 58.73 60.80 2orl h TYR 74 Cb 1.53 -0.19 -0.40 0.00 1.54 0.00 0.00 36.73 39.20 2orl h TYR 74 CO 0.08 1.19 -0.73 0.42 -1.64 0.00 0.00 178.16 177.47 2orl s ILE 75 N -4.10 1.52 -0.46 1.81 1.01 -0.30 -5.09 121.20 115.58 2orl s ILE 75 Ca -0.10 -2.09 -0.27 0.00 0.00 0.00 0.00 60.65 58.19 2orl s ILE 75 Cb 0.10 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2orl s ILE 75 CO 0.88 -0.72 2.00 -2.16 0.00 0.00 0.00 174.94 174.95 2orl s PRO 76 N 0.96 2.76 0.00 2.79 0.04 -1.21 -2.46 135.00 137.89 2orl s PRO 76 Ca 0.13 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2orl s PRO 76 Cb -0.20 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2orl s PRO 76 CO -0.12 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 174.78 2orl n GLY 77 N 5.69 1.12 3.77 0.56 0.00 -1.26 -4.71 105.19 110.36 2orl n GLY 77 Ca 0.26 0.00 -0.40 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 3.15 0.44 2.61 -1.32 -1.03 -4.92 115.64 112.56 2orl s THR 78 Ca 0.00 1.11 0.31 0.00 -1.21 0.00 0.00 61.69 61.90 2orl s THR 78 Cb 0.00 -3.68 0.33 0.00 -1.51 0.00 0.00 72.50 67.64 2orl s THR 78 CO 0.00 0.22 2.13 0.11 -2.21 0.00 0.00 174.62 174.87 2orl h LYS 79 N 3.36 0.00 -6.15 7.08 1.57 -1.99 -3.42 116.57 117.03 2orl h LYS 79 Ca -0.48 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.77 2orl h LYS 79 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 2orl h LYS 79 CO 0.65 0.08 1.28 1.41 -0.57 0.00 0.00 179.45 182.29 2orl s MET 80 N -4.17 2.95 -0.24 3.15 1.75 -1.26 -4.84 119.30 116.63 2orl s MET 80 Ca -0.03 0.75 0.13 0.00 -1.25 0.00 0.00 55.69 55.29 2orl s MET 80 Cb 0.13 -4.28 0.58 0.00 2.84 0.00 0.00 34.83 34.10 2orl s MET 80 CO 0.55 -2.35 1.53 0.00 -0.65 0.00 0.00 175.02 174.10 2orl n ALA 81 N 11.43 3.67 0.18 4.11 0.00 -1.26 -4.49 120.51 134.16 2orl n ALA 81 Ca 0.19 -2.50 0.18 0.00 0.00 0.00 0.00 53.44 51.31 2orl n ALA 81 Cb 0.50 -0.85 0.77 0.00 0.00 0.00 0.00 19.45 19.87 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 1.86 0.00 0.00 0.00 3.57 -1.97 -3.46 116.94 116.94 2orl h PHE 82 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2orl h PHE 82 Cb 1.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.45 2orl h PHE 82 CO 0.81 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.30 2orl n GLY 83 N -1.39 3.16 0.14 2.40 0.00 -1.26 -4.94 105.19 103.29 2orl n GLY 83 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.30 3.55 -0.02 0.00 -1.26 -4.82 105.19 102.94 2orl n GLY 84 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 3.90 0.00 0.99 1.43 0.28 -4.81 118.68 120.47 2orl s LEU 85 Ca 0.00 -2.08 0.00 0.00 -1.03 0.00 0.00 54.13 51.02 2orl s LEU 85 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2orl s LEU 85 CO 0.00 -1.26 0.45 0.29 0.23 0.00 0.00 176.35 176.06 2orl n LYS 86 N 8.23 0.61 -3.52 1.70 5.02 -1.26 -4.24 118.16 124.70 2orl n LYS 86 Ca 0.40 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 2orl n LYS 86 Cb 0.48 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.24 2orl n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2orl s LYS 87 N -1.46 2.71 0.13 1.97 1.02 -1.26 -5.00 119.74 117.84 2orl s LYS 87 Ca 0.00 -1.51 -0.24 0.00 0.02 0.00 0.00 55.97 54.24 2orl s LYS 87 Cb 0.00 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 2orl s LYS 87 CO 0.00 -1.05 1.64 1.49 -0.92 0.00 0.00 175.35 176.51 2orl h GLU 88 N 8.54 -0.31 -0.78 1.68 4.81 -1.99 -1.09 114.58 125.45 2orl h GLU 88 Ca -0.25 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2orl h GLU 88 Cb 1.09 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 2orl h GLU 88 CO 0.83 -0.21 0.35 0.87 -0.73 0.00 0.00 179.01 180.13 2orl h LYS 89 N -0.32 0.52 -0.11 1.92 1.79 -1.95 -0.32 116.57 118.10 2orl h LYS 89 Ca 0.09 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2orl h LYS 89 Cb 0.44 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2orl h LYS 89 CO -0.26 0.34 0.05 0.22 -1.08 0.00 0.00 179.45 178.72 2orl h ASP 90 N 0.53 0.15 -0.37 0.86 3.58 -1.89 -3.05 116.42 116.24 2orl h ASP 90 Ca 0.42 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 2orl h ASP 90 Cb 0.58 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2orl h ASP 90 CO -0.36 0.26 0.03 0.03 -2.88 0.00 0.00 179.24 176.31 2orl h ARG 91 N 0.04 0.72 -0.60 0.28 3.08 -0.40 -3.07 114.38 114.43 2orl h ARG 91 Ca 0.04 -0.17 0.09 0.00 0.07 0.00 0.00 59.98 60.01 2orl h ARG 91 Cb 0.15 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 29.99 2orl h ARG 91 CO -0.00 0.71 -0.41 -0.91 -1.07 0.00 0.00 179.97 178.29 2orl h ASN 92 N 0.68 -1.43 -0.58 7.04 2.35 -0.97 -0.24 115.58 122.43 2orl h ASN 92 Ca 0.14 0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 56.05 2orl h ASN 92 Cb 0.38 0.67 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 2orl h ASN 92 CO 0.01 -0.33 0.04 -0.78 -1.65 0.00 0.00 177.43 174.72 2orl h ASP 93 N -0.20 1.00 -1.00 5.81 1.82 -1.62 -3.08 116.42 119.15 2orl h ASP 93 Ca 0.20 -0.26 0.07 0.00 -0.39 0.00 0.00 57.03 56.64 2orl h ASP 93 Cb 0.56 -0.27 -0.07 0.00 0.68 0.00 0.00 39.33 40.24 2orl h ASP 93 CO -0.70 1.03 0.64 -0.07 -1.61 0.00 0.00 179.24 178.53 2orl h LEU 94 N 0.95 1.03 -0.19 2.28 3.38 -1.14 -2.54 115.31 119.08 2orl h LEU 94 Ca 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2orl h LEU 94 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2orl h LEU 94 CO 0.02 0.65 0.09 0.40 0.09 0.00 0.00 178.44 179.69 2orl h ILE 95 N 1.16 1.12 -0.81 1.22 2.04 -1.00 -2.21 117.51 119.02 2orl h ILE 95 Ca 0.43 -0.35 0.14 0.00 1.00 0.00 0.00 64.86 66.09 2orl h ILE 95 Cb 0.19 1.01 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 2orl h ILE 95 CO -0.17 0.12 0.39 0.74 0.00 0.00 0.00 178.15 179.22 2orl h THR 96 N 0.18 0.71 0.24 -0.27 2.02 -1.44 0.37 112.91 114.72 2orl h THR 96 Ca 0.06 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2orl h THR 96 Cb 0.10 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2orl h THR 96 CO -0.01 0.10 -0.12 0.22 0.37 0.00 0.00 175.52 176.09 2orl h TYR 97 N 0.56 -0.30 -0.37 3.16 3.20 -1.26 -1.59 116.97 120.37 2orl h TYR 97 Ca 0.44 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.31 2orl h TYR 97 Cb 0.64 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2orl h TYR 97 CO -0.12 0.05 0.24 1.25 -1.64 0.00 0.00 178.16 177.94 2orl h LEU 98 N -0.70 0.40 -1.06 2.82 7.12 -1.05 -2.38 115.31 120.46 2orl h LEU 98 Ca -0.03 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.02 2orl h LEU 98 Cb 0.48 -0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.46 2orl h LEU 98 CO 0.05 0.29 0.63 0.50 -0.13 0.00 0.00 178.44 179.79 2orl h LYS 99 N 0.49 1.14 0.00 1.25 3.64 -0.34 -1.85 116.57 120.90 2orl h LYS 99 Ca 0.14 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2orl h LYS 99 Cb -0.04 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 2orl h LYS 99 CO -0.04 0.75 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.17 2orl h LYS 100 N 1.17 0.00 0.18 1.90 1.63 -0.79 -2.02 116.57 118.64 2orl h LYS 100 Ca 0.40 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.90 2orl h LYS 100 Cb 0.09 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2orl h LYS 100 CO -0.14 0.50 -1.35 0.00 -3.45 0.00 0.00 179.45 175.01 2orl h ALA 101 N 1.50 -0.00 0.12 5.00 0.00 -1.17 -3.35 119.26 121.36 2orl h ALA 101 Ca -0.01 -0.89 -0.30 0.00 0.00 0.00 0.00 54.91 53.72 2orl h ALA 101 Cb 0.90 0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.81 2orl h ALA 101 CO 0.07 0.87 -1.25 1.15 0.00 0.00 0.00 179.25 180.09 2orl h THR 102 N 0.10 1.30 0.00 0.00 2.02 -1.32 -3.46 112.91 111.55 2orl h THR 102 Ca -0.19 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.49 2orl h THR 102 Cb 2.06 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 71.18 2orl h THR 102 CO 0.23 0.76 0.00 -1.84 0.37 0.00 0.00 175.52 175.04