#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 0.50 -3.10 -2.82 0.00 -1.26 -5.16 120.64 108.80 2orl n GLU -4 Ca 0.00 -1.85 -0.33 0.00 0.00 0.00 0.00 57.16 54.97 2orl n GLU -4 Cb 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 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 0.86 3.44 -0.15 4.31 5.36 -1.26 -4.78 117.98 125.76 2orl s PHE -3 Ca 0.29 1.30 -0.09 0.00 -0.96 0.00 0.00 56.93 57.47 2orl s PHE -3 Cb 0.03 -2.59 0.05 0.00 -0.34 0.00 0.00 43.02 40.18 2orl s PHE -3 CO -0.07 0.14 0.37 0.21 -1.46 0.00 0.00 175.22 174.41 2orl s LYS -2 N -2.74 0.37 0.42 10.12 2.20 -1.26 -5.14 119.74 123.71 2orl s LYS -2 Ca 0.52 0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 56.57 2orl s LYS -2 Cb -0.12 0.00 -0.10 0.00 -1.51 0.00 0.00 37.83 36.11 2orl s LYS -2 CO 0.18 -0.14 1.25 0.00 -0.36 0.00 0.00 175.35 176.28 2orl n ALA -1 N 4.00 1.19 -2.55 3.13 0.00 -1.26 -4.32 120.51 120.70 2orl n ALA -1 Ca -0.22 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2orl n ALA -1 Cb 0.55 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2orl n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2orl n GLY 1 N 0.85 3.69 3.47 0.00 0.00 -1.26 -4.86 105.19 107.08 2orl n GLY 1 Ca 0.07 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 0.09 -0.67 0.31 1.61 0.01 -1.26 -5.04 113.70 108.75 2orl s SER 2 Ca 0.00 1.19 0.09 0.00 1.31 0.00 0.00 55.95 58.54 2orl s SER 2 Cb 0.00 1.14 0.88 0.00 0.21 0.00 0.00 66.02 68.25 2orl s SER 2 CO 0.00 -0.21 1.70 0.00 0.41 0.00 0.00 173.24 175.14 2orl h ALA 3 N 6.09 1.71 0.00 1.44 0.00 -1.91 0.29 119.26 126.88 2orl h ALA 3 Ca -0.30 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2orl h ALA 3 Cb 1.19 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2orl h ALA 3 CO 0.18 -0.36 0.00 1.17 0.00 0.00 0.00 179.25 180.24 2orl n LYS 4 N -4.98 0.97 -0.08 0.00 4.81 -1.26 -3.31 118.16 114.31 2orl n LYS 4 Ca 0.26 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.54 2orl n LYS 4 Cb 0.77 -1.36 -0.05 0.00 0.02 0.00 0.00 35.03 34.41 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 -0.86 0.34 0.12 1.64 5.02 0.06 -4.55 118.16 119.94 2orl n LYS 5 Ca 0.17 0.15 0.17 0.00 -2.02 0.00 0.00 58.31 56.77 2orl n LYS 5 Cb 0.08 -1.08 0.72 0.00 -0.02 0.00 0.00 35.03 34.73 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 -0.59 0.00 0.87 0.72 0.00 -1.58 -2.63 103.07 99.85 2orl h GLY 6 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2orl h GLY 6 CO -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.22 2orl h ALA 7 N 1.79 -0.19 -0.97 3.60 0.00 -1.79 -2.45 119.26 119.25 2orl h ALA 7 Ca 0.14 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.25 2orl h ALA 7 Cb 0.63 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2orl h ALA 7 CO -0.00 -0.62 0.63 1.79 0.00 0.00 0.00 179.25 181.04 2orl h THR 8 N -0.22 0.63 0.00 0.00 1.35 -1.71 -1.30 112.91 111.66 2orl h THR 8 Ca 0.01 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2orl h THR 8 Cb 0.21 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 2orl h THR 8 CO -0.03 0.08 0.00 0.18 -0.25 0.00 0.00 175.52 175.50 2orl n LEU 9 N -4.57 0.84 -0.36 3.87 7.99 -0.95 -3.67 117.00 120.15 2orl n LEU 9 Ca 0.22 0.36 0.34 0.00 -0.01 0.00 0.00 56.01 56.92 2orl n LEU 9 Cb 0.75 -0.00 0.61 0.00 -0.11 0.00 0.00 43.42 44.68 2orl n LEU 9 CO 0.28 -0.00 1.11 0.15 -1.51 0.00 0.00 177.39 177.42 2orl h PHE 10 N 0.00 0.74 -0.71 -1.77 3.57 -1.53 -0.43 116.94 116.82 2orl h PHE 10 Ca 0.00 0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.74 2orl h PHE 10 Cb 0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 2orl h PHE 10 CO 0.00 -0.42 0.53 -0.22 -2.23 0.00 0.00 178.31 175.97 2orl h LYS 11 N 0.01 0.00 0.00 1.11 1.63 -1.30 0.23 116.57 118.25 2orl h LYS 11 Ca 0.86 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.56 2orl h LYS 11 Cb 2.41 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 33.82 2orl h LYS 11 CO -0.68 0.00 -0.76 -2.37 -3.45 0.00 0.00 179.45 172.19 2orl n THR 12 N -4.24 0.58 0.00 1.00 5.66 -0.21 -4.38 114.28 112.69 2orl n THR 12 Ca 0.14 -1.36 0.00 0.00 -3.05 0.00 0.00 64.05 59.78 2orl n THR 12 Cb 0.80 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 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 0.95 0.00 1.09 5.12 -0.83 -4.95 116.66 117.98 2orl n ARG 13 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2orl n ARG 13 Cb 0.94 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 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 0.62 -1.42 0.00 5.85 -0.88 -2.12 115.31 117.35 2orl h LEU 15 Ca 0.00 0.10 0.44 0.00 0.84 0.00 0.00 57.88 59.26 2orl h LEU 15 Cb 0.42 -0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.32 2orl h LEU 15 CO 0.00 0.15 0.86 0.06 -0.34 0.00 0.00 178.44 179.18 2orl h GLN 16 N 0.57 0.08 0.00 1.25 3.07 -1.83 -3.21 115.11 115.04 2orl h GLN 16 Ca 0.60 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.33 2orl h GLN 16 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2orl h GLN 16 CO -0.37 0.05 -0.78 0.00 0.09 0.00 0.00 178.83 177.82 2orl s HIS 18 N -1.78 1.44 -0.06 0.00 3.76 -0.83 -1.63 115.29 116.18 2orl s HIS 18 Ca 0.00 -0.44 -0.01 0.00 -0.15 0.00 0.00 55.06 54.46 2orl s HIS 18 Cb 0.00 -2.75 0.03 0.00 1.11 0.00 0.00 32.58 30.97 2orl s HIS 18 CO 0.00 -1.58 -0.00 0.95 -0.85 0.00 0.00 174.74 173.25 2orl s THR 19 N -3.01 0.35 0.21 1.30 -4.23 -1.25 -4.58 115.64 104.42 2orl s THR 19 Ca 0.65 0.09 0.10 0.00 -1.18 0.00 0.00 61.69 61.35 2orl s THR 19 Cb -0.05 -0.48 -0.08 0.00 1.34 0.00 0.00 72.50 73.23 2orl s THR 19 CO 0.43 0.23 1.50 1.62 -0.54 0.00 0.00 174.62 177.87 2orl h VAL 20 N 6.29 1.49 -5.46 2.29 3.04 -1.96 -1.98 116.25 119.96 2orl h VAL 20 Ca -0.26 -2.52 -0.60 0.00 -1.01 0.00 0.00 66.70 62.31 2orl h VAL 20 Cb 1.13 2.37 -0.08 0.00 -2.01 0.00 0.00 31.29 32.70 2orl h VAL 20 CO 0.32 0.71 -0.36 -1.84 -1.01 0.00 0.00 177.57 175.40 2orl n GLU 21 N -3.62 0.74 -0.84 4.17 -0.00 -1.26 -3.57 120.64 116.25 2orl n GLU 21 Ca -0.01 -3.47 0.07 0.00 -0.00 0.00 0.00 57.16 53.75 2orl n GLU 21 Cb 0.72 0.63 0.38 0.00 -0.00 0.00 0.00 31.44 33.18 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 -1.52 4.67 -0.00 3.44 5.02 -1.26 -4.38 118.16 124.12 2orl n LYS 22 Ca -0.10 -2.98 -0.03 0.00 -2.02 0.00 0.00 58.31 53.18 2orl n LYS 22 Cb 0.62 -2.22 -0.11 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.62 -1.11 3.68 0.72 0.00 -1.26 -4.88 105.19 102.96 2orl n GLY 23 Ca 0.26 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2orl n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2orl s GLY 24 N -4.94 2.26 0.90 -0.02 0.00 -1.26 -5.07 107.32 99.18 2orl s GLY 24 Ca -0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 44.72 44.44 2orl s GLY 24 CO 0.82 1.22 1.13 2.56 0.00 0.00 0.00 173.10 178.83 2orl s PRO 25 N 1.44 1.18 0.16 2.90 0.04 -1.26 -4.90 135.00 134.55 2orl s PRO 25 Ca 0.31 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.47 2orl s PRO 25 Cb -0.16 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 2orl s PRO 25 CO 0.12 -2.49 1.72 0.72 0.04 0.00 0.00 177.00 177.12 2orl n HIS 26 N -4.13 2.57 0.00 0.56 8.25 -1.26 -4.92 115.22 116.30 2orl n HIS 26 Ca 0.11 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2orl n HIS 26 Cb 0.52 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 28.98 2orl n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2orl n LYS 27 N 4.40 1.75 0.32 -0.41 4.81 -1.25 -4.94 118.16 122.84 2orl n LYS 27 Ca 0.17 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.81 2orl n LYS 27 Cb 0.34 0.00 1.09 0.00 0.02 0.00 0.00 35.03 36.48 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 0.17 -3.72 3.15 2.07 -1.82 -3.43 116.25 112.66 2orl h VAL 28 Ca 0.00 -0.06 -0.27 0.00 0.82 0.00 0.00 66.70 67.19 2orl h VAL 28 Cb 0.00 1.05 -0.15 0.00 -1.52 0.00 0.00 31.29 30.67 2orl h VAL 28 CO 0.00 0.01 -0.68 -0.83 0.02 0.00 0.00 177.57 176.08 2orl s GLY 29 N -4.14 1.03 1.14 2.17 0.00 -0.65 -4.98 107.32 101.88 2orl s GLY 29 Ca -0.05 -1.49 -0.17 0.00 0.00 0.00 0.00 44.72 43.02 2orl s GLY 29 CO 0.46 -1.51 1.10 2.56 0.00 0.00 0.00 173.10 175.71 2orl s PRO 30 N -3.86 -0.70 0.00 2.90 0.04 -1.26 -4.51 135.00 127.62 2orl s PRO 30 Ca 0.18 0.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.10 2orl s PRO 30 Cb 0.05 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 2orl s PRO 30 CO 0.00 -3.41 0.80 1.21 0.04 0.00 0.00 177.00 175.64 2orl s ASN 31 N -3.72 7.19 0.06 6.66 3.84 -1.26 -3.97 114.94 123.73 2orl s ASN 31 Ca 0.69 1.43 0.11 0.00 0.21 0.00 0.00 52.86 55.30 2orl s ASN 31 Cb -0.13 -2.48 -0.19 0.00 -0.55 0.00 0.00 41.25 37.91 2orl s ASN 31 CO 0.57 -0.09 0.98 -0.07 -2.79 0.00 0.00 177.10 175.70 2orl h LEU 32 N 6.25 0.00 -8.34 3.21 3.38 -1.66 -3.45 115.31 114.71 2orl h LEU 32 Ca -0.42 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.31 2orl h LEU 32 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2orl h LEU 32 CO 0.73 0.91 0.96 1.57 0.09 0.00 0.00 178.44 182.71 2orl n HIS 33 N -3.16 1.01 0.00 1.13 -0.00 -1.23 -1.20 115.22 111.77 2orl n HIS 33 Ca -0.08 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2orl n HIS 33 Cb 0.96 -2.29 0.00 0.00 -0.12 0.00 0.00 29.99 28.54 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 6.35 1.24 0.24 1.57 0.00 -1.26 -4.92 105.19 108.42 2orl n GLY 34 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 1.28 -1.97 -0.61 3.07 -1.47 -3.42 117.51 114.39 2orl h ILE 35 Ca 0.00 -1.46 -0.59 0.00 1.55 0.00 0.00 64.86 64.36 2orl h ILE 35 Cb 0.00 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 2orl h ILE 35 CO 0.00 0.47 1.48 0.49 -1.05 0.00 0.00 178.15 179.54 2orl n PHE 36 N -4.07 1.99 0.00 0.16 3.72 -1.26 -1.23 117.46 116.77 2orl n PHE 36 Ca -0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2orl n PHE 36 Cb 0.48 -2.73 0.00 0.00 -0.94 0.00 0.00 39.48 36.29 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 5.71 0.68 3.82 1.37 0.00 -0.66 -5.05 105.19 111.07 2orl n GLY 37 Ca 0.30 0.00 -0.23 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 -0.59 2.38 0.40 1.61 0.52 -0.37 -4.89 118.95 118.02 2orl s ARG 38 Ca 0.00 -1.71 -0.00 0.00 -0.52 0.00 0.00 55.73 53.50 2orl s ARG 38 Cb 0.00 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 2orl s ARG 38 CO 0.00 -0.21 0.62 -1.01 0.02 0.00 0.00 175.30 174.72 2orl s HIS 39 N -2.55 3.43 0.35 -0.53 3.76 -1.26 -1.00 115.29 117.49 2orl s HIS 39 Ca 0.44 0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 55.45 2orl s HIS 39 Cb -0.00 -2.07 -0.11 0.00 1.11 0.00 0.00 32.58 31.50 2orl s HIS 39 CO 0.25 -0.08 1.50 -1.12 -0.85 0.00 0.00 174.74 174.45 2orl s SER 40 N -4.10 6.39 -0.13 1.40 0.01 0.43 -3.73 113.70 113.97 2orl s SER 40 Ca 0.43 2.99 -0.00 0.00 1.31 0.00 0.00 55.95 60.68 2orl s SER 40 Cb -0.10 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2orl s SER 40 CO 0.38 -0.86 0.11 0.61 0.41 0.00 0.00 173.24 173.89 2orl n GLY 41 N 1.00 0.55 0.43 3.44 0.00 -1.26 -4.21 105.19 105.13 2orl n GLY 41 Ca 0.03 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.18 1.01 -1.72 1.61 6.02 -1.24 -4.95 117.38 116.92 2orl n GLN 42 Ca -0.02 -2.43 -0.38 0.00 -0.01 0.00 0.00 57.00 54.16 2orl n GLN 42 Cb 0.51 -1.20 0.05 0.00 1.02 0.00 0.00 30.24 30.62 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 -0.91 1.33 -2.05 -1.58 0.00 -1.26 -4.87 120.51 111.17 2orl n ALA 43 Ca 0.13 0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 2orl n ALA 43 Cb 0.71 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 2orl n ALA 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2orl s GLU 44 N -2.95 2.48 0.00 0.00 8.01 -1.26 -3.39 118.70 121.59 2orl s GLU 44 Ca 0.74 -0.81 0.00 0.00 0.01 0.00 0.00 54.97 54.91 2orl s GLU 44 Cb -0.41 -5.17 0.00 0.00 -4.31 0.00 0.00 34.13 24.24 2orl s GLU 44 CO 0.47 -3.80 0.00 0.41 0.01 0.00 0.00 175.26 172.36 2orl n GLY 45 N 6.21 1.05 3.14 -1.39 0.00 -1.26 -5.05 105.19 107.89 2orl n GLY 45 Ca 0.43 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 1.50 0.37 1.61 5.04 -1.22 -5.11 117.35 117.54 2orl s TYR 46 Ca 0.00 -0.31 -0.18 0.00 -2.44 0.00 0.00 57.07 54.14 2orl s TYR 46 Cb 0.00 -0.98 -0.10 0.00 0.35 0.00 0.00 41.96 41.23 2orl s TYR 46 CO 0.00 -0.05 0.83 -1.12 -1.34 0.00 0.00 175.55 173.87 2orl s SER 47 N -0.30 6.86 0.30 4.32 0.01 -1.26 -4.60 113.70 119.03 2orl s SER 47 Ca 0.05 1.47 0.06 0.00 1.31 0.00 0.00 55.95 58.83 2orl s SER 47 Cb -0.07 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 2orl s SER 47 CO -0.00 -0.26 -0.02 -0.31 0.41 0.00 0.00 173.24 173.05 2orl s TYR 48 N -2.05 2.00 0.76 2.43 2.02 -1.26 -5.00 117.35 116.24 2orl s TYR 48 Ca 0.57 -0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 56.40 2orl s TYR 48 Cb -0.10 -1.20 0.04 0.00 -0.40 0.00 0.00 41.96 40.30 2orl s TYR 48 CO 0.16 0.23 1.09 0.95 -1.57 0.00 0.00 175.55 176.40 2orl s THR 49 N -3.06 3.35 0.37 -0.71 -4.23 -1.26 -4.92 115.64 105.17 2orl s THR 49 Ca 0.32 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 61.33 2orl s THR 49 Cb 0.05 -3.25 0.30 0.00 1.34 0.00 0.00 72.50 70.94 2orl s THR 49 CO 0.13 -0.57 1.94 -0.78 -0.54 0.00 0.00 174.62 174.80 2orl h ASP 50 N -0.91 0.64 0.59 3.99 1.82 -1.95 -2.73 116.42 117.87 2orl h ASP 50 Ca -0.46 0.01 -0.28 0.00 -0.39 0.00 0.00 57.03 55.91 2orl h ASP 50 Cb 1.25 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 2orl h ASP 50 CO 0.60 0.40 -1.41 0.00 -1.61 0.00 0.00 179.24 177.22 2orl h ALA 51 N 1.61 0.32 -0.23 -0.78 0.00 -1.94 -3.23 119.26 115.01 2orl h ALA 51 Ca 0.33 -1.08 -0.18 0.00 0.00 0.00 0.00 54.91 53.98 2orl h ALA 51 Cb 0.36 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2orl h ALA 51 CO -0.12 1.19 -0.57 -0.97 0.00 0.00 0.00 179.25 178.78 2orl h ASN 52 N 0.05 0.82 0.13 0.00 -0.73 -1.86 -3.11 115.58 110.88 2orl h ASN 52 Ca -0.19 -0.45 -0.01 0.00 1.87 0.00 0.00 56.30 57.53 2orl h ASN 52 Cb 1.96 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.32 2orl h ASN 52 CO 0.15 1.22 -0.06 0.40 -0.37 0.00 0.00 177.43 178.76 2orl h ILE 53 N 0.56 0.00 -0.26 2.57 2.04 -1.64 -2.90 117.51 117.88 2orl h ILE 53 Ca 0.01 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.86 2orl h ILE 53 Cb 1.15 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2orl h ILE 53 CO 0.12 0.00 0.92 0.29 0.00 0.00 0.00 178.15 179.48 2orl n LYS 54 N -2.69 0.02 0.10 2.37 5.02 -1.22 -0.91 118.16 120.85 2orl n LYS 54 Ca -0.02 0.84 -0.21 0.00 -2.02 0.00 0.00 58.31 56.90 2orl n LYS 54 Cb 0.07 -2.21 -0.15 0.00 -0.02 0.00 0.00 35.03 32.72 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 -5.68 1.97 1.63 -1.44 -3.48 116.57 109.96 2orl h LYS 55 Ca 0.12 -0.67 -0.34 0.00 -0.85 0.00 0.00 60.65 58.92 2orl h LYS 55 Cb 1.96 0.25 -0.17 0.00 -0.60 0.00 0.00 32.23 33.67 2orl h LYS 55 CO -0.00 1.30 -0.51 0.09 -3.45 0.00 0.00 179.45 176.87 2orl n ASN 56 N -3.59 -0.31 -4.76 4.20 3.02 -0.09 -4.88 115.26 108.85 2orl n ASN 56 Ca -0.17 -0.69 -0.41 0.00 -0.03 0.00 0.00 54.58 53.28 2orl n ASN 56 Cb 1.07 -0.87 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.92 2.85 -0.72 2.41 0.11 -1.26 -4.13 120.40 116.73 2orl s VAL 57 Ca 0.25 0.83 -0.26 0.00 -2.93 0.00 0.00 61.98 59.87 2orl s VAL 57 Cb -0.15 -3.53 0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2orl s VAL 57 CO 0.55 0.19 1.18 -0.22 -3.33 0.00 0.00 175.10 173.47 2orl s LEU 58 N -1.51 3.56 -0.19 2.54 2.96 -1.26 -0.43 118.68 124.35 2orl s LEU 58 Ca 0.50 -0.63 -0.32 0.00 -0.22 0.00 0.00 54.13 53.46 2orl s LEU 58 Cb -0.39 -2.51 -0.09 0.00 0.50 0.00 0.00 46.19 43.70 2orl s LEU 58 CO 0.50 -1.71 2.11 0.79 -1.32 0.00 0.00 176.35 176.71 2orl n TRP 59 N 8.84 2.02 -4.35 5.38 5.03 -0.17 -4.91 117.44 129.28 2orl n TRP 59 Ca 0.01 -0.03 -0.16 0.00 3.03 0.00 0.00 57.50 60.36 2orl n TRP 59 Cb 0.48 -2.67 -0.04 0.00 -1.03 0.00 0.00 31.31 28.05 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 9.61 2.13 0.10 -0.99 2.03 -1.26 -1.65 116.55 126.53 2orl n ASP 60 Ca 0.30 -2.15 -0.12 0.00 0.52 0.00 0.00 54.79 53.33 2orl n ASP 60 Cb 0.35 0.32 -0.08 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.29 -0.08 -0.67 4.57 -2.01 -2.66 114.58 113.44 2orl h GLU 61 Ca -0.20 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 2orl h GLU 61 Cb 0.65 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2orl h GLU 61 CO 0.33 0.07 -0.13 -0.97 -1.18 0.00 0.00 179.01 177.13 2orl h ASN 62 N -0.74 0.25 -0.71 1.04 -1.24 -1.99 -3.31 115.58 108.88 2orl h ASN 62 Ca -0.03 -0.54 0.10 0.00 0.71 0.00 0.00 56.30 56.53 2orl h ASN 62 Cb 0.50 -0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.40 2orl h ASN 62 CO 0.05 0.75 0.35 -1.13 -1.29 0.00 0.00 177.43 176.15 2orl h ASN 63 N -0.24 0.45 -0.91 1.15 -0.73 -1.92 -2.36 115.58 111.02 2orl h ASN 63 Ca 0.01 0.06 0.18 0.00 1.87 0.00 0.00 56.30 58.42 2orl h ASN 63 Cb 0.70 -0.01 -0.11 0.00 0.27 0.00 0.00 38.32 39.17 2orl h ASN 63 CO 0.03 0.25 0.48 -0.03 -0.37 0.00 0.00 177.43 177.80 2orl h MET 64 N 0.59 0.60 -0.48 6.67 4.05 -1.56 -1.26 114.93 123.54 2orl h MET 64 Ca 0.35 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.62 2orl h MET 64 Cb 0.38 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 2orl h MET 64 CO -0.28 0.40 -0.15 0.77 0.23 0.00 0.00 176.91 177.88 2orl h SER 65 N 0.62 0.93 -0.94 1.39 0.02 -1.57 0.46 113.55 114.45 2orl h SER 65 Ca 0.52 -0.32 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 2orl h SER 65 Cb 0.83 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 2orl h SER 65 CO -0.41 1.07 0.58 -0.08 -1.14 0.00 0.00 176.83 176.85 2orl h GLU 66 N 0.81 0.92 0.21 3.45 4.81 -1.08 -2.28 114.58 121.43 2orl h GLU 66 Ca 0.12 -0.06 -0.34 0.00 -0.13 0.00 0.00 59.36 58.96 2orl h GLU 66 Cb 0.69 -0.21 0.02 0.00 0.63 0.00 0.00 28.75 29.89 2orl h GLU 66 CO 0.05 0.61 -1.60 -0.92 -0.73 0.00 0.00 179.01 176.43 2orl h TYR 67 N 0.95 0.82 -0.93 0.92 3.20 -1.35 -3.37 116.97 117.22 2orl h TYR 67 Ca 0.46 -0.60 0.01 0.00 3.14 0.00 0.00 58.73 61.73 2orl h TYR 67 Cb 0.40 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2orl h TYR 67 CO -0.02 1.59 0.61 -0.07 -1.64 0.00 0.00 178.16 178.63 2orl h LEU 68 N 0.12 1.08 -1.91 2.82 3.38 -0.56 -2.03 115.31 118.21 2orl h LEU 68 Ca -0.29 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2orl h LEU 68 Cb 2.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2orl h LEU 68 CO 0.23 0.79 0.18 0.74 0.09 0.00 0.00 178.44 180.46 2orl h THR 69 N 1.26 0.93 -0.72 0.22 2.02 -1.55 0.15 112.91 115.22 2orl h THR 69 Ca 0.34 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 2orl h THR 69 Cb -0.13 0.81 -0.18 0.00 -1.74 0.00 0.00 68.15 66.91 2orl h THR 69 CO -0.07 0.02 -0.34 0.21 0.37 0.00 0.00 175.52 175.71 2orl s ASN 70 N -6.71 -1.10 0.33 4.18 3.84 -1.04 -3.92 114.94 110.54 2orl s ASN 70 Ca -0.06 -0.72 0.03 0.00 0.21 0.00 0.00 52.86 52.32 2orl s ASN 70 Cb 0.18 1.41 0.59 0.00 -0.55 0.00 0.00 41.25 42.88 2orl s ASN 70 CO 0.70 -0.10 1.92 1.55 -2.79 0.00 0.00 177.10 178.38 2orl h PRO 71 N 6.05 0.68 -0.32 0.43 0.13 -1.58 -2.76 132.00 134.63 2orl h PRO 71 Ca 0.02 -0.10 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2orl h PRO 71 Cb 1.18 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2orl h PRO 71 CO 0.02 0.58 -0.07 0.87 -0.23 0.00 0.00 178.00 179.17 2orl h LYS 72 N 0.67 0.52 0.10 0.86 1.57 -1.82 0.33 116.57 118.80 2orl h LYS 72 Ca 0.16 -0.13 -0.28 0.00 -1.87 0.00 0.00 60.65 58.53 2orl h LYS 72 Cb 0.17 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.43 2orl h LYS 72 CO -0.01 0.60 -1.19 -0.22 -0.57 0.00 0.00 179.45 178.06 2orl h LYS 73 N 0.49 0.54 -0.01 3.15 1.63 -1.90 -3.12 116.57 117.34 2orl h LYS 73 Ca 0.10 -0.71 -0.23 0.00 -0.85 0.00 0.00 60.65 58.96 2orl h LYS 73 Cb 0.42 0.23 0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2orl h LYS 73 CO 0.02 1.31 -0.88 -0.92 -3.45 0.00 0.00 179.45 175.53 2orl h TYR 74 N 0.24 0.91 -3.02 1.91 3.20 -1.39 -3.40 116.97 115.42 2orl h TYR 74 Ca -0.16 -0.49 -0.61 0.00 3.14 0.00 0.00 58.73 60.61 2orl h TYR 74 Cb 1.86 -0.11 -0.40 0.00 1.54 0.00 0.00 36.73 39.62 2orl h TYR 74 CO 0.10 1.32 -0.73 0.42 -1.64 0.00 0.00 178.16 177.62 2orl s ILE 75 N -3.32 1.52 -0.10 1.81 1.01 0.10 -5.07 121.20 117.14 2orl s ILE 75 Ca -0.11 -2.66 -0.29 0.00 0.00 0.00 0.00 60.65 57.59 2orl s ILE 75 Cb 0.06 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2orl s ILE 75 CO 0.89 -0.89 1.69 -2.16 0.00 0.00 0.00 174.94 174.47 2orl s PRO 76 N 0.25 4.02 0.00 2.79 0.04 -1.18 -2.71 135.00 138.22 2orl s PRO 76 Ca 0.18 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2orl s PRO 76 Cb -0.24 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2orl s PRO 76 CO -0.00 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2orl n GLY 77 N 4.39 0.50 3.75 0.56 0.00 -1.26 -4.71 105.19 108.41 2orl n GLY 77 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 2.59 -0.75 2.61 -1.32 -1.10 -4.94 115.64 110.73 2orl s THR 78 Ca 0.00 0.38 0.19 0.00 -1.21 0.00 0.00 61.69 61.05 2orl s THR 78 Cb 0.00 -3.16 0.18 0.00 -1.51 0.00 0.00 72.50 68.01 2orl s THR 78 CO 0.00 -0.06 1.58 0.29 -2.21 0.00 0.00 174.62 174.22 2orl n LYS 79 N -1.43 0.09 -2.70 7.08 5.02 -1.26 -4.48 118.16 120.48 2orl n LYS 79 Ca 0.13 0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 2orl n LYS 79 Cb 0.49 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 2orl n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2orl s MET 80 N -3.15 3.68 -0.11 1.97 1.75 -1.26 -4.82 119.30 117.36 2orl s MET 80 Ca 0.06 -1.53 0.10 0.00 -1.25 0.00 0.00 55.69 53.07 2orl s MET 80 Cb 0.09 -5.23 0.49 0.00 2.84 0.00 0.00 34.83 33.02 2orl s MET 80 CO 0.33 -2.05 1.31 0.00 -0.65 0.00 0.00 175.02 173.95 2orl n ALA 81 N 7.88 3.11 -0.26 4.11 0.00 -1.26 -4.62 120.51 129.47 2orl n ALA 81 Ca 0.33 -1.10 0.33 0.00 0.00 0.00 0.00 53.44 52.99 2orl n ALA 81 Cb 0.49 -1.05 0.73 0.00 0.00 0.00 0.00 19.45 19.63 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 2.59 0.00 0.00 0.00 3.57 -1.98 -3.47 116.94 117.66 2orl h PHE 82 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2orl h PHE 82 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2orl h PHE 82 CO 0.59 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.08 2orl n GLY 83 N -1.73 3.29 0.00 2.40 0.00 -1.26 -4.99 105.19 102.90 2orl n GLY 83 Ca 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 2.80 3.56 -0.02 0.00 -1.25 -4.73 105.19 105.55 2orl n GLY 84 Ca 0.00 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 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 3.36 0.28 0.99 1.43 0.51 -4.80 118.68 120.45 2orl s LEU 85 Ca 0.00 -1.15 0.09 0.00 -1.03 0.00 0.00 54.13 52.04 2orl s LEU 85 Cb 0.00 -2.57 0.39 0.00 0.03 0.00 0.00 46.19 44.04 2orl s LEU 85 CO 0.00 -2.06 1.64 0.11 0.23 0.00 0.00 176.35 176.27 2orl h LYS 86 N 10.38 0.08 -6.25 1.70 1.79 -1.86 -3.35 116.57 119.06 2orl h LYS 86 Ca 0.16 -0.05 -0.59 0.00 -2.18 0.00 0.00 60.65 58.00 2orl h LYS 86 Cb 1.00 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.56 2orl h LYS 86 CO 1.33 0.62 0.72 0.15 -1.08 0.00 0.00 179.45 181.19 2orl s LYS 87 N -3.77 3.50 0.21 3.15 1.02 -1.26 -4.95 119.74 117.63 2orl s LYS 87 Ca -0.02 0.11 -0.10 0.00 0.02 0.00 0.00 55.97 55.98 2orl s LYS 87 Cb 0.13 -3.98 0.17 0.00 -0.52 0.00 0.00 37.83 33.62 2orl s LYS 87 CO 0.77 -1.43 1.89 1.49 -0.92 0.00 0.00 175.35 177.15 2orl h GLU 88 N 9.28 1.03 -0.89 1.68 4.81 -1.97 -2.75 114.58 125.76 2orl h GLU 88 Ca -0.25 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2orl h GLU 88 Cb 1.07 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 2orl h GLU 88 CO 1.10 0.68 0.59 0.87 -0.73 0.00 0.00 179.01 181.51 2orl h LYS 89 N 1.06 1.14 -0.50 1.92 1.79 -1.93 -1.77 116.57 118.28 2orl h LYS 89 Ca 0.29 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2orl h LYS 89 Cb -0.12 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.24 2orl h LYS 89 CO -0.06 0.76 0.32 -0.44 -1.08 0.00 0.00 179.45 178.94 2orl h ASP 90 N 1.18 0.59 -0.29 0.86 5.19 -1.94 -2.72 116.42 119.30 2orl h ASP 90 Ca 0.34 -0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.61 2orl h ASP 90 Cb -0.09 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.25 2orl h ASP 90 CO -0.09 0.46 -0.16 0.03 -3.12 0.00 0.00 179.24 176.36 2orl h ARG 91 N 0.68 0.73 -0.56 3.56 3.08 -1.17 -3.06 114.38 117.64 2orl h ARG 91 Ca 0.18 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 60.04 2orl h ARG 91 Cb -0.04 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 29.86 2orl h ARG 91 CO -0.04 0.85 -0.55 -0.91 -1.07 0.00 0.00 179.97 178.25 2orl h ASN 92 N 0.66 -1.88 -0.74 7.04 2.35 -1.00 -0.24 115.58 121.77 2orl h ASN 92 Ca 0.11 0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 56.06 2orl h ASN 92 Cb 0.63 0.80 -0.03 0.00 0.05 0.00 0.00 38.32 39.77 2orl h ASN 92 CO 0.04 -0.36 0.21 -0.78 -1.65 0.00 0.00 177.43 174.90 2orl h ASP 93 N -0.29 1.09 -0.96 5.81 1.82 -1.62 -3.06 116.42 119.21 2orl h ASP 93 Ca 0.11 -0.21 0.08 0.00 -0.39 0.00 0.00 57.03 56.62 2orl h ASP 93 Cb 0.55 -0.29 -0.07 0.00 0.68 0.00 0.00 39.33 40.21 2orl h ASP 93 CO -0.68 1.02 0.62 -0.07 -1.61 0.00 0.00 179.24 178.51 2orl h LEU 94 N 1.10 0.93 0.22 2.28 3.38 -1.19 -2.65 115.31 119.39 2orl h LEU 94 Ca 0.24 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2orl h LEU 94 Cb 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2orl h LEU 94 CO -0.00 0.57 -0.10 0.40 0.09 0.00 0.00 178.44 179.39 2orl h ILE 95 N 1.04 0.81 -0.94 1.22 2.04 -0.97 -1.93 117.51 118.78 2orl h ILE 95 Ca 0.43 -0.15 0.16 0.00 1.00 0.00 0.00 64.86 66.30 2orl h ILE 95 Cb 0.29 0.90 -0.10 0.00 -0.74 0.00 0.00 36.82 37.18 2orl h ILE 95 CO -0.18 0.03 0.54 0.74 0.00 0.00 0.00 178.15 179.28 2orl h THR 96 N -0.37 0.76 0.37 -0.27 2.02 -1.51 0.37 112.91 114.28 2orl h THR 96 Ca -0.03 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2orl h THR 96 Cb 0.28 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2orl h THR 96 CO 0.05 0.14 -0.18 0.22 0.37 0.00 0.00 175.52 176.12 2orl h TYR 97 N 0.75 -0.46 -0.39 3.16 3.20 -1.21 -1.13 116.97 120.90 2orl h TYR 97 Ca 0.51 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.37 2orl h TYR 97 Cb 0.71 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 2orl h TYR 97 CO -0.04 -0.14 0.22 1.25 -1.64 0.00 0.00 178.16 177.81 2orl h LEU 98 N -0.79 0.47 -1.12 2.82 5.85 -0.96 -2.55 115.31 119.02 2orl h LEU 98 Ca -0.05 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2orl h LEU 98 Cb 0.52 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 2orl h LEU 98 CO 0.08 0.40 0.60 0.50 -0.34 0.00 0.00 178.44 179.69 2orl h LYS 99 N 0.50 1.06 -0.10 1.25 3.64 -0.34 -0.96 116.57 121.62 2orl h LYS 99 Ca 0.14 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2orl h LYS 99 Cb 0.03 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2orl h LYS 99 CO -0.02 0.70 -0.40 -0.22 -2.27 0.00 0.00 179.45 177.24 2orl h LYS 100 N 1.09 0.21 0.17 1.90 1.63 -0.81 -1.27 116.57 119.50 2orl h LYS 100 Ca 0.38 -0.10 -0.30 0.00 -0.85 0.00 0.00 60.65 59.79 2orl h LYS 100 Cb 0.12 -0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2orl h LYS 100 CO -0.13 0.58 -1.32 0.00 -3.45 0.00 0.00 179.45 175.13 2orl h ALA 101 N 1.41 0.01 0.21 5.00 0.00 -1.10 -3.35 119.26 121.44 2orl h ALA 101 Ca 0.02 -0.87 -0.32 0.00 0.00 0.00 0.00 54.91 53.74 2orl h ALA 101 Cb 0.78 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.67 2orl h ALA 101 CO 0.06 0.86 -1.40 1.15 0.00 0.00 0.00 179.25 179.93 2orl h THR 102 N 0.11 1.34 0.00 0.00 2.02 -1.17 -3.47 112.91 111.73 2orl h THR 102 Ca -0.18 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.24 2orl h THR 102 Cb 2.03 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 71.42 2orl h THR 102 CO 0.23 0.82 0.00 -1.84 0.37 0.00 0.00 175.52 175.10