#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orl s GLU -4 N 0.00 0.49 0.18 -2.82 -6.30 -1.26 -5.16 118.70 103.83 2orl s GLU -4 Ca 0.00 -0.41 -0.25 0.00 -2.50 0.00 0.00 54.97 51.81 2orl s GLU -4 Cb 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 34.13 34.05 2orl s GLU -4 CO 0.00 -0.63 0.79 0.12 0.02 0.00 0.00 175.26 175.56 2orl s PHE -3 N 1.22 3.89 -0.03 5.30 5.36 -1.26 -4.74 117.98 127.72 2orl s PHE -3 Ca 0.23 1.65 -0.01 0.00 -0.96 0.00 0.00 56.93 57.84 2orl s PHE -3 Cb 0.06 -2.78 0.03 0.00 -0.34 0.00 0.00 43.02 39.99 2orl s PHE -3 CO -0.10 0.49 0.05 0.21 -1.46 0.00 0.00 175.22 174.42 2orl s LYS -2 N -1.24 -0.03 0.45 10.12 2.47 -1.26 -5.14 119.74 125.10 2orl s LYS -2 Ca 0.37 0.27 -0.25 0.00 -1.56 0.00 0.00 55.97 54.80 2orl s LYS -2 Cb -0.23 -0.30 -0.09 0.00 -1.46 0.00 0.00 37.83 35.75 2orl s LYS -2 CO 0.26 -0.21 1.27 0.00 0.16 0.00 0.00 175.35 176.83 2orl n ALA -1 N 4.50 1.31 -2.68 3.13 0.00 -1.26 -4.19 120.51 121.32 2orl n ALA -1 Ca -0.21 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2orl n ALA -1 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 0.82 4.12 3.58 0.00 0.00 -1.26 -4.86 105.19 107.58 2orl n GLY 1 Ca 0.07 -1.69 -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 0.35 -0.56 0.37 1.61 0.01 -1.26 -5.00 113.70 109.22 2orl s SER 2 Ca 0.00 0.79 0.14 0.00 1.31 0.00 0.00 55.95 58.20 2orl s SER 2 Cb 0.00 0.71 1.00 0.00 0.21 0.00 0.00 66.02 67.93 2orl s SER 2 CO 0.00 -0.39 1.76 0.00 0.41 0.00 0.00 173.24 175.02 2orl h ALA 3 N 3.45 2.04 -0.00 1.44 0.00 -1.90 -0.63 119.26 123.66 2orl h ALA 3 Ca -0.25 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2orl h ALA 3 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2orl h ALA 3 CO 0.26 -0.46 0.00 1.17 0.00 0.00 0.00 179.25 180.22 2orl n LYS 4 N -4.71 1.02 -0.00 0.00 4.81 -1.26 -3.00 118.16 115.01 2orl n LYS 4 Ca 0.25 -0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.63 2orl n LYS 4 Cb 0.80 -1.32 -0.01 0.00 0.02 0.00 0.00 35.03 34.51 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 -0.79 0.14 0.08 1.64 5.02 -0.28 -4.60 118.16 119.37 2orl n LYS 5 Ca 0.15 0.06 0.19 0.00 -2.02 0.00 0.00 58.31 56.70 2orl n LYS 5 Cb 0.08 -0.75 0.74 0.00 -0.02 0.00 0.00 35.03 35.08 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 -0.26 0.00 0.91 0.72 0.00 -1.59 -2.34 103.07 100.50 2orl h GLY 6 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2orl h GLY 6 CO -0.04 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.55 2orl h ALA 7 N 1.68 0.13 -0.98 3.60 0.00 -1.78 -2.83 119.26 119.07 2orl h ALA 7 Ca 0.19 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.27 2orl h ALA 7 Cb 0.89 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2orl h ALA 7 CO -0.00 -0.32 0.64 1.79 0.00 0.00 0.00 179.25 181.35 2orl h THR 8 N 0.04 0.61 0.00 0.00 1.35 -1.67 -1.12 112.91 112.12 2orl h THR 8 Ca 0.03 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2orl h THR 8 Cb 0.10 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 2orl h THR 8 CO -0.00 0.08 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 2orl n LEU 9 N -4.57 1.02 -0.32 3.87 7.99 -1.08 -3.34 117.00 120.57 2orl n LEU 9 Ca 0.22 0.34 0.30 0.00 -0.01 0.00 0.00 56.01 56.86 2orl n LEU 9 Cb 0.78 -0.01 0.55 0.00 -0.11 0.00 0.00 43.42 44.63 2orl n LEU 9 CO 0.28 -0.01 1.03 0.15 -1.51 0.00 0.00 177.39 177.33 2orl h PHE 10 N 0.00 0.73 0.00 -1.77 3.04 -1.56 0.19 116.94 117.57 2orl h PHE 10 Ca 0.00 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 2orl h PHE 10 Cb 0.00 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 2orl h PHE 10 CO 0.00 -0.47 -0.00 -0.22 -2.02 0.00 0.00 178.31 175.60 2orl h LYS 11 N 0.01 0.00 0.00 1.11 3.64 -1.29 0.32 116.57 120.36 2orl h LYS 11 Ca 0.82 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 60.10 2orl h LYS 11 Cb 2.13 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 33.72 2orl h LYS 11 CO -0.79 0.00 -0.78 -2.37 -2.27 0.00 0.00 179.45 173.24 2orl n THR 12 N -3.10 0.35 0.00 1.00 5.66 0.57 -4.46 114.28 114.31 2orl n THR 12 Ca -0.02 -1.07 0.00 0.00 -3.05 0.00 0.00 64.05 59.91 2orl n THR 12 Cb 0.13 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 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 0.08 0.00 0.00 1.09 5.12 -0.71 -4.96 116.66 117.28 2orl n ARG 13 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2orl n ARG 13 Cb 0.95 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 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 0.72 -1.55 0.00 5.85 -0.90 -1.57 115.31 117.86 2orl h LEU 15 Ca 0.00 0.12 0.47 0.00 0.84 0.00 0.00 57.88 59.31 2orl h LEU 15 Cb 0.90 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.81 2orl h LEU 15 CO 0.00 0.19 0.99 0.06 -0.34 0.00 0.00 178.44 179.33 2orl h GLN 16 N 0.66 0.04 0.00 1.25 3.07 -1.85 -3.17 115.11 115.11 2orl h GLN 16 Ca 0.61 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.35 2orl h GLN 16 Cb 1.08 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.63 2orl h GLN 16 CO -0.42 0.03 -0.73 0.00 0.09 0.00 0.00 178.83 177.79 2orl n HIS 18 N -1.86 -2.66 -3.69 0.00 8.25 -0.63 -1.16 115.22 113.47 2orl n HIS 18 Ca 0.00 -1.48 -0.17 0.00 -0.26 0.00 0.00 57.72 55.81 2orl n HIS 18 Cb 0.37 -0.45 -0.16 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 -1.85 -0.17 -0.40 1.59 -4.23 -1.26 -4.54 115.64 104.78 2orl s THR 19 Ca 0.46 0.32 0.22 0.00 -1.18 0.00 0.00 61.69 61.52 2orl s THR 19 Cb -0.03 -0.24 0.31 0.00 1.34 0.00 0.00 72.50 73.88 2orl s THR 19 CO 0.30 0.13 1.59 1.62 -0.54 0.00 0.00 174.62 177.73 2orl h VAL 20 N 6.31 0.11 -5.03 2.29 3.04 -1.95 -2.77 116.25 118.25 2orl h VAL 20 Ca -0.22 -1.15 -0.44 0.00 -1.01 0.00 0.00 66.70 63.88 2orl h VAL 20 Cb 1.12 2.05 -0.06 0.00 -2.01 0.00 0.00 31.29 32.39 2orl h VAL 20 CO 0.23 0.06 -0.27 -1.84 -1.01 0.00 0.00 177.57 174.74 2orl n GLU 21 N -3.12 1.02 -0.79 4.17 -0.00 -1.26 -4.15 120.64 116.52 2orl n GLU 21 Ca 0.04 -2.55 0.07 0.00 -0.00 0.00 0.00 57.16 54.72 2orl n GLU 21 Cb 0.55 0.50 0.37 0.00 -0.00 0.00 0.00 31.44 32.86 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 -1.15 4.44 -0.02 3.44 5.02 -1.26 -4.43 118.16 124.20 2orl n LYS 22 Ca -0.09 -3.09 0.01 0.00 -2.02 0.00 0.00 58.31 53.12 2orl n LYS 22 Cb 0.45 -2.17 -0.13 0.00 -0.02 0.00 0.00 35.03 33.16 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 0.38 -1.08 3.65 0.72 0.00 -1.26 -4.90 105.19 102.71 2orl n GLY 23 Ca 0.26 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.91 1.89 0.85 -0.02 0.00 -1.26 -5.06 107.32 98.81 2orl s GLY 24 Ca -0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.42 2orl s GLY 24 CO 0.85 1.70 1.16 2.56 0.00 0.00 0.00 173.10 179.36 2orl s PRO 25 N 2.53 1.42 -0.34 2.90 0.04 -1.26 -4.85 135.00 135.44 2orl s PRO 25 Ca 0.35 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 2orl s PRO 25 Cb -0.16 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2orl s PRO 25 CO 0.09 -2.34 2.31 0.72 0.04 0.00 0.00 177.00 177.82 2orl n HIS 26 N -3.79 1.71 0.00 0.56 8.25 -1.26 -4.91 115.22 115.78 2orl n HIS 26 Ca 0.12 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2orl n HIS 26 Cb 0.52 -2.68 0.00 0.00 1.12 0.00 0.00 29.99 28.95 2orl n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2orl n LYS 27 N 8.83 0.00 0.26 -0.41 5.02 -1.25 -4.86 118.16 125.75 2orl n LYS 27 Ca 0.34 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.78 2orl n LYS 27 Cb 0.47 0.00 0.67 0.00 -0.02 0.00 0.00 35.03 36.15 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 0.28 -3.57 -0.18 2.07 -1.82 -3.44 116.25 109.58 2orl h VAL 28 Ca 0.00 -0.66 -0.42 0.00 0.82 0.00 0.00 66.70 66.44 2orl h VAL 28 Cb 0.00 1.51 -0.18 0.00 -1.52 0.00 0.00 31.29 31.10 2orl h VAL 28 CO 0.00 0.09 -0.76 -0.83 0.02 0.00 0.00 177.57 176.09 2orl s GLY 29 N -4.21 1.10 0.90 2.17 0.00 -0.31 -4.98 107.32 101.99 2orl s GLY 29 Ca -0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 44.72 43.30 2orl s GLY 29 CO 0.57 -1.36 1.09 2.56 0.00 0.00 0.00 173.10 175.96 2orl s PRO 30 N -2.65 1.23 -0.05 2.90 0.04 -1.26 -4.43 135.00 130.78 2orl s PRO 30 Ca 0.09 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2orl s PRO 30 Cb -0.05 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2orl s PRO 30 CO 0.03 -2.25 1.37 1.21 0.04 0.00 0.00 177.00 177.39 2orl s ASN 31 N -3.42 6.89 0.04 6.66 3.84 -1.26 -4.26 114.94 123.43 2orl s ASN 31 Ca 0.63 1.99 0.25 0.00 0.21 0.00 0.00 52.86 55.94 2orl s ASN 31 Cb -0.18 -2.55 0.42 0.00 -0.55 0.00 0.00 41.25 38.39 2orl s ASN 31 CO 0.57 -0.73 1.35 0.18 -2.79 0.00 0.00 177.10 175.68 2orl n LEU 32 N 5.80 0.57 -4.56 3.21 4.77 -1.05 -4.85 117.00 120.89 2orl n LEU 32 Ca 0.13 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 2orl n LEU 32 Cb 0.44 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 2orl n LEU 32 CO 0.58 0.06 1.22 -2.28 -1.33 0.00 0.00 177.39 175.64 2orl s HIS 33 N -3.07 1.24 0.00 -1.77 2.46 -1.25 -2.56 115.29 110.34 2orl s HIS 33 Ca 0.09 1.82 0.00 0.00 0.47 0.00 0.00 55.06 57.44 2orl s HIS 33 Cb 0.16 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 29.09 2orl s HIS 33 CO 0.71 -1.52 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 2orl n GLY 34 N 6.77 0.99 0.07 1.59 0.00 -1.26 -4.97 105.19 108.38 2orl n GLY 34 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 1.10 -1.93 -0.61 3.07 -1.84 -3.45 117.51 113.84 2orl h ILE 35 Ca 0.00 -2.90 -0.59 0.00 1.55 0.00 0.00 64.86 62.91 2orl h ILE 35 Cb 0.00 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2orl h ILE 35 CO 0.00 0.63 1.41 0.49 -1.05 0.00 0.00 178.15 179.62 2orl n PHE 36 N -3.13 2.05 0.00 0.16 3.72 -1.26 -1.22 117.46 117.77 2orl n PHE 36 Ca -0.12 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2orl n PHE 36 Cb 1.01 -2.71 0.00 0.00 -0.94 0.00 0.00 39.48 36.84 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 5.54 0.65 3.97 1.37 0.00 -0.56 -5.04 105.19 111.12 2orl n GLY 37 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.57 2.94 0.31 1.61 0.52 -0.36 -4.87 118.95 118.54 2orl s ARG 38 Ca 0.00 -1.15 0.03 0.00 -0.52 0.00 0.00 55.73 54.09 2orl s ARG 38 Cb 0.00 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 2orl s ARG 38 CO 0.00 -0.04 0.48 -1.01 0.02 0.00 0.00 175.30 174.75 2orl s HIS 39 N -2.26 3.40 0.21 -0.53 3.76 -1.26 -1.06 115.29 117.55 2orl s HIS 39 Ca 0.47 0.11 -0.32 0.00 -0.15 0.00 0.00 55.06 55.18 2orl s HIS 39 Cb -0.09 -1.83 -0.11 0.00 1.11 0.00 0.00 32.58 31.66 2orl s HIS 39 CO 0.31 0.17 1.66 -1.12 -0.85 0.00 0.00 174.74 174.91 2orl s SER 40 N -4.05 6.44 0.00 1.40 0.01 0.07 -3.57 113.70 114.00 2orl s SER 40 Ca 0.39 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.46 2orl s SER 40 Cb -0.09 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2orl s SER 40 CO 0.33 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2orl n GLY 41 N 3.66 0.97 0.49 3.44 0.00 -1.26 -4.10 105.19 108.40 2orl n GLY 41 Ca 0.14 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.39 1.33 -1.82 1.61 6.02 -1.23 -4.87 117.38 118.03 2orl n GLN 42 Ca 0.00 -2.91 -0.41 0.00 -0.01 0.00 0.00 57.00 53.67 2orl n GLN 42 Cb 0.32 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.79 3.68 -1.13 -1.58 0.00 -1.26 -4.89 121.76 113.79 2orl s ALA 43 Ca 0.34 1.54 -0.23 0.00 0.00 0.00 0.00 51.96 53.61 2orl s ALA 43 Cb 0.33 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2orl s ALA 43 CO -0.04 -0.97 1.95 -1.21 0.00 0.00 0.00 175.76 175.48 2orl s GLU 44 N -0.99 2.44 0.00 0.00 8.01 -1.26 -2.99 118.70 123.91 2orl s GLU 44 Ca 0.59 -0.99 0.00 0.00 0.01 0.00 0.00 54.97 54.59 2orl s GLU 44 Cb -0.47 -5.20 0.00 0.00 -4.31 0.00 0.00 34.13 24.15 2orl s GLU 44 CO 0.52 -3.96 0.00 0.41 0.01 0.00 0.00 175.26 172.24 2orl n GLY 45 N 5.99 1.25 3.02 -1.39 0.00 -1.26 -5.06 105.19 107.74 2orl n GLY 45 Ca 0.44 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 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 0.96 0.23 1.61 6.14 -1.16 -5.08 117.35 118.06 2orl s TYR 46 Ca 0.00 -0.22 -0.12 0.00 0.64 0.00 0.00 57.07 57.37 2orl s TYR 46 Cb 0.00 -0.66 -0.08 0.00 0.42 0.00 0.00 41.96 41.64 2orl s TYR 46 CO 0.00 -0.07 0.60 -1.12 0.64 0.00 0.00 175.55 175.59 2orl s SER 47 N 0.05 6.72 0.34 4.32 0.01 -1.26 -4.40 113.70 119.48 2orl s SER 47 Ca -0.01 1.05 0.09 0.00 1.31 0.00 0.00 55.95 58.40 2orl s SER 47 Cb -0.07 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 2orl s SER 47 CO 0.00 -0.06 -0.02 -0.31 0.41 0.00 0.00 173.24 173.26 2orl s TYR 48 N -1.77 2.50 0.77 2.43 1.51 -1.26 -5.03 117.35 116.50 2orl s TYR 48 Ca 0.47 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 55.95 2orl s TYR 48 Cb -0.12 -1.47 0.05 0.00 -0.11 0.00 0.00 41.96 40.31 2orl s TYR 48 CO 0.20 0.50 1.10 0.95 -1.11 0.00 0.00 175.55 177.19 2orl s THR 49 N -2.55 3.18 0.42 -0.71 -4.23 -1.26 -4.89 115.64 105.60 2orl s THR 49 Ca 0.34 0.38 0.14 0.00 -1.18 0.00 0.00 61.69 61.37 2orl s THR 49 Cb 0.01 -3.22 0.34 0.00 1.34 0.00 0.00 72.50 70.97 2orl s THR 49 CO 0.18 -0.50 1.95 -0.78 -0.54 0.00 0.00 174.62 174.93 2orl h ASP 50 N -0.94 0.42 0.57 3.99 3.58 -2.00 -2.61 116.42 119.43 2orl h ASP 50 Ca -0.46 0.02 -0.28 0.00 0.42 0.00 0.00 57.03 56.72 2orl h ASP 50 Cb 1.26 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2orl h ASP 50 CO 0.61 0.24 -1.46 0.00 -2.88 0.00 0.00 179.24 175.75 2orl h ALA 51 N 1.66 0.39 0.00 -0.78 0.00 -1.91 -3.24 119.26 115.39 2orl h ALA 51 Ca 0.33 -1.14 -0.25 0.00 0.00 0.00 0.00 54.91 53.85 2orl h ALA 51 Cb 0.65 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2orl h ALA 51 CO -0.10 1.25 -1.00 -0.97 0.00 0.00 0.00 179.25 178.42 2orl h ASN 52 N 0.04 0.74 0.16 0.00 -0.73 -1.87 -3.25 115.58 110.67 2orl h ASN 52 Ca -0.21 -0.59 -0.01 0.00 1.87 0.00 0.00 56.30 57.36 2orl h ASN 52 Cb 1.96 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.33 2orl h ASN 52 CO 0.14 1.39 -0.08 0.40 -0.37 0.00 0.00 177.43 178.92 2orl h ILE 53 N 0.32 0.00 -0.47 2.57 2.04 -1.64 -2.85 117.51 117.48 2orl h ILE 53 Ca -0.11 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 65.81 2orl h ILE 53 Cb 1.65 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2orl h ILE 53 CO 0.19 0.00 0.86 0.29 0.00 0.00 0.00 178.15 179.48 2orl n LYS 54 N -2.78 0.02 0.12 2.37 5.02 -1.22 -0.81 118.16 120.88 2orl n LYS 54 Ca -0.03 0.75 -0.24 0.00 -2.02 0.00 0.00 58.31 56.77 2orl n LYS 54 Cb 0.08 -1.93 -0.16 0.00 -0.02 0.00 0.00 35.03 33.01 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 0.50 -6.38 1.97 3.64 -1.53 -3.48 116.57 111.28 2orl h LYS 55 Ca 0.22 -0.85 -0.50 0.00 -1.27 0.00 0.00 60.65 58.25 2orl h LYS 55 Cb 1.94 0.32 -0.29 0.00 -0.41 0.00 0.00 32.23 33.78 2orl h LYS 55 CO -0.00 1.41 -0.73 0.09 -2.27 0.00 0.00 179.45 177.95 2orl n ASN 56 N -3.69 -1.18 -4.73 4.20 3.02 0.01 -4.88 115.26 108.00 2orl n ASN 56 Ca -0.19 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.94 2orl n ASN 56 Cb 1.09 -1.27 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -2.95 2.70 -0.69 2.41 0.11 -1.26 -4.10 120.40 116.63 2orl s VAL 57 Ca 0.59 0.53 -0.27 0.00 -2.93 0.00 0.00 61.98 59.90 2orl s VAL 57 Cb -0.34 -3.34 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 2orl s VAL 57 CO 0.81 0.06 1.23 -0.22 -3.33 0.00 0.00 175.10 173.65 2orl s LEU 58 N 0.57 3.34 -0.30 2.54 0.20 -1.26 -0.75 118.68 123.03 2orl s LEU 58 Ca 0.65 -0.33 -0.31 0.00 0.69 0.00 0.00 54.13 54.83 2orl s LEU 58 Cb -0.42 -2.72 -0.08 0.00 -0.43 0.00 0.00 46.19 42.53 2orl s LEU 58 CO 0.36 -1.70 2.23 0.79 -0.29 0.00 0.00 176.35 177.74 2orl n TRP 59 N 8.96 1.76 -4.13 5.38 7.02 -0.22 -4.89 117.44 131.33 2orl n TRP 59 Ca 0.04 0.06 -0.14 0.00 -1.02 0.00 0.00 57.50 56.44 2orl n TRP 59 Cb 0.49 -2.64 -0.02 0.00 -2.42 0.00 0.00 31.31 26.72 2orl n TRP 59 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2orl n ASP 60 N 11.19 2.37 0.30 -0.99 2.03 -1.26 -1.49 116.55 128.71 2orl n ASP 60 Ca 0.36 -1.96 -0.15 0.00 0.52 0.00 0.00 54.79 53.56 2orl n ASP 60 Cb 0.36 0.10 -0.08 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.75 -0.07 -0.67 4.57 -2.02 -2.73 114.58 112.91 2orl h GLU 61 Ca -0.18 0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 2orl h GLU 61 Cb 0.57 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2orl h GLU 61 CO 0.29 -0.44 -0.29 -0.97 -1.18 0.00 0.00 179.01 176.42 2orl h ASN 62 N -0.99 0.37 -0.83 1.04 -1.24 -1.99 -3.32 115.58 108.61 2orl h ASN 62 Ca -0.08 -0.64 0.17 0.00 0.71 0.00 0.00 56.30 56.46 2orl h ASN 62 Cb 0.66 -0.11 -0.11 0.00 0.73 0.00 0.00 38.32 39.49 2orl h ASN 62 CO 0.13 0.95 0.36 -1.13 -1.29 0.00 0.00 177.43 176.45 2orl h ASN 63 N -0.19 0.33 -0.60 1.15 -0.73 -1.91 -2.14 115.58 111.49 2orl h ASN 63 Ca -0.02 0.12 0.10 0.00 1.87 0.00 0.00 56.30 58.37 2orl h ASN 63 Cb 0.94 0.10 -0.07 0.00 0.27 0.00 0.00 38.32 39.55 2orl h ASN 63 CO 0.06 0.08 0.21 -0.03 -0.37 0.00 0.00 177.43 177.38 2orl h MET 64 N 0.46 0.37 -0.82 6.67 4.05 -1.58 -1.71 114.93 122.36 2orl h MET 64 Ca 0.48 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.86 2orl h MET 64 Cb 0.80 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.48 2orl h MET 64 CO -0.45 0.24 0.45 0.77 0.23 0.00 0.00 176.91 178.15 2orl h SER 65 N 0.38 1.02 -0.58 1.39 0.02 -1.55 -0.44 113.55 113.78 2orl h SER 65 Ca 0.30 -0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.28 2orl h SER 65 Cb 0.39 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 62.59 2orl h SER 65 CO -0.32 0.81 0.11 -0.08 -1.14 0.00 0.00 176.83 176.22 2orl h GLU 66 N 1.14 0.23 0.09 3.45 4.81 -1.12 -2.07 114.58 121.12 2orl h GLU 66 Ca 0.29 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.27 2orl h GLU 66 Cb 0.02 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.37 2orl h GLU 66 CO -0.05 0.15 -0.99 -0.92 -0.73 0.00 0.00 179.01 176.47 2orl h TYR 67 N 0.24 0.82 -0.85 0.92 3.20 -1.30 -3.35 116.97 116.65 2orl h TYR 67 Ca 0.30 -0.51 0.01 0.00 3.14 0.00 0.00 58.73 61.67 2orl h TYR 67 Cb 0.44 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 2orl h TYR 67 CO -0.25 1.36 0.56 -0.07 -1.64 0.00 0.00 178.16 178.12 2orl h LEU 68 N 0.05 0.97 -1.87 2.82 3.38 -0.77 -2.00 115.31 117.90 2orl h LEU 68 Ca -0.15 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.89 2orl h LEU 68 Cb 1.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2orl h LEU 68 CO 0.19 0.71 0.29 0.74 0.09 0.00 0.00 178.44 180.46 2orl h THR 69 N 1.15 0.87 -0.76 0.22 2.02 -1.52 -2.38 112.91 112.51 2orl h THR 69 Ca 0.31 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 2orl h THR 69 Cb -0.13 0.70 -0.18 0.00 -1.74 0.00 0.00 68.15 66.80 2orl h THR 69 CO -0.07 0.03 -0.36 0.21 0.37 0.00 0.00 175.52 175.70 2orl s ASN 70 N -6.46 -1.16 0.20 4.18 3.84 -0.96 -3.88 114.94 110.71 2orl s ASN 70 Ca -0.06 -0.78 -0.09 0.00 0.21 0.00 0.00 52.86 52.14 2orl s ASN 70 Cb 0.19 1.49 0.14 0.00 -0.55 0.00 0.00 41.25 42.51 2orl s ASN 70 CO 0.72 -0.11 1.78 1.55 -2.79 0.00 0.00 177.10 178.26 2orl h PRO 71 N 6.07 1.08 -0.45 0.43 0.13 -1.58 -1.79 132.00 135.90 2orl h PRO 71 Ca 0.03 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2orl h PRO 71 Cb 1.18 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 2orl h PRO 71 CO 0.03 0.86 0.22 0.87 -0.23 0.00 0.00 178.00 179.75 2orl h LYS 72 N 1.05 0.63 0.19 0.86 6.56 -1.80 -0.87 116.57 123.19 2orl h LYS 72 Ca 0.25 -0.07 -0.32 0.00 -1.06 0.00 0.00 60.65 59.45 2orl h LYS 72 Cb 0.16 -0.12 0.02 0.00 -0.57 0.00 0.00 32.23 31.71 2orl h LYS 72 CO -0.03 0.49 -1.50 -0.22 -2.06 0.00 0.00 179.45 176.13 2orl h LYS 73 N 0.63 0.41 -0.47 3.15 1.63 -1.88 -3.19 116.57 116.84 2orl h LYS 73 Ca 0.16 -0.70 -0.12 0.00 -0.85 0.00 0.00 60.65 59.14 2orl h LYS 73 Cb 0.07 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2orl h LYS 73 CO -0.02 1.32 -0.18 -0.92 -3.45 0.00 0.00 179.45 176.20 2orl h TYR 74 N 0.11 1.08 -2.89 1.91 3.20 -1.16 -3.38 116.97 115.84 2orl h TYR 74 Ca -0.25 -0.26 -0.61 0.00 3.14 0.00 0.00 58.73 60.76 2orl h TYR 74 Cb 2.09 -0.25 -0.40 0.00 1.54 0.00 0.00 36.73 39.71 2orl h TYR 74 CO 0.10 1.06 -0.76 0.42 -1.64 0.00 0.00 178.16 177.34 2orl s ILE 75 N -4.70 1.39 -0.42 1.81 1.01 -0.35 -5.09 121.20 114.84 2orl s ILE 75 Ca -0.12 -2.76 -0.28 0.00 0.00 0.00 0.00 60.65 57.50 2orl s ILE 75 Cb 0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2orl s ILE 75 CO 0.86 -0.97 1.91 -2.16 0.00 0.00 0.00 174.94 174.58 2orl s PRO 76 N 0.10 2.99 0.00 2.79 0.04 -1.21 -2.36 135.00 137.35 2orl s PRO 76 Ca 0.21 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2orl s PRO 76 Cb -0.17 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2orl s PRO 76 CO -0.05 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.12 2orl n GLY 77 N 5.58 0.91 3.79 0.56 0.00 -1.26 -4.88 105.19 109.90 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 3.66 -0.28 2.61 -1.32 -1.00 -4.91 115.64 112.41 2orl s THR 78 Ca 0.00 1.08 0.23 0.00 -1.21 0.00 0.00 61.69 61.80 2orl s THR 78 Cb 0.00 -3.47 0.24 0.00 -1.51 0.00 0.00 72.50 67.76 2orl s THR 78 CO 0.00 -0.17 1.71 0.11 -2.21 0.00 0.00 174.62 174.06 2orl h LYS 79 N 1.71 0.00 -5.41 7.08 1.57 -1.99 -3.37 116.57 116.16 2orl h LYS 79 Ca -0.49 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.59 2orl h LYS 79 Cb 1.23 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.41 2orl h LYS 79 CO 0.59 0.00 1.75 1.41 -0.57 0.00 0.00 179.45 182.64 2orl s MET 80 N -3.48 3.98 -0.04 3.15 1.75 -1.26 -4.81 119.30 118.59 2orl s MET 80 Ca 0.00 -2.15 0.04 0.00 -1.25 0.00 0.00 55.69 52.33 2orl s MET 80 Cb 0.08 -5.31 0.18 0.00 2.84 0.00 0.00 34.83 32.62 2orl s MET 80 CO 0.29 -2.04 0.90 0.00 -0.65 0.00 0.00 175.02 173.52 2orl n ALA 81 N 7.27 2.71 -0.05 4.11 0.00 -1.26 -4.44 120.51 128.85 2orl n ALA 81 Ca 0.42 -0.40 0.24 0.00 0.00 0.00 0.00 53.44 53.70 2orl n ALA 81 Cb 0.45 -1.02 0.72 0.00 0.00 0.00 0.00 19.45 19.61 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 0.96 0.00 0.00 0.00 3.57 -1.96 -3.47 116.94 116.04 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 0.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2orl h PHE 82 CO 0.21 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.70 2orl n GLY 83 N -1.63 3.03 0.00 2.40 0.00 -1.26 -4.93 105.19 102.80 2orl n GLY 83 Ca 0.13 -0.84 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 2.09 3.56 -0.02 0.00 -1.26 -4.43 105.19 105.12 2orl n GLY 84 Ca 0.00 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 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 3.64 0.54 0.99 1.43 -0.89 -4.80 118.68 119.59 2orl s LEU 85 Ca 0.00 -1.66 0.27 0.00 -1.03 0.00 0.00 54.13 51.71 2orl s LEU 85 Cb 0.00 -2.56 1.43 0.00 0.03 0.00 0.00 46.19 45.09 2orl s LEU 85 CO 0.00 -1.43 1.96 0.11 0.23 0.00 0.00 176.35 177.23 2orl h LYS 86 N 9.36 0.00 -6.37 1.70 1.79 -1.87 -3.41 116.57 117.77 2orl h LYS 86 Ca 0.24 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.16 2orl h LYS 86 Cb 0.99 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.58 2orl h LYS 86 CO 1.42 0.00 1.15 0.15 -1.08 0.00 0.00 179.45 181.09 2orl s LYS 87 N -4.97 3.29 0.16 3.15 1.02 -1.26 -4.94 119.74 116.19 2orl s LYS 87 Ca -0.05 0.72 -0.20 0.00 0.02 0.00 0.00 55.97 56.46 2orl s LYS 87 Cb 0.20 -4.14 0.07 0.00 -0.52 0.00 0.00 37.83 33.43 2orl s LYS 87 CO 0.73 -1.93 1.64 1.49 -0.92 0.00 0.00 175.35 176.36 2orl h GLU 88 N 11.68 -0.14 -0.77 1.68 4.81 -1.96 -2.39 114.58 127.49 2orl h GLU 88 Ca -0.28 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2orl h GLU 88 Cb 1.11 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 2orl h GLU 88 CO 1.14 -0.09 0.42 0.87 -0.73 0.00 0.00 179.01 180.62 2orl h LYS 89 N -0.15 0.69 -0.57 1.92 1.79 -1.92 -1.31 116.57 117.03 2orl h LYS 89 Ca 0.17 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.67 2orl h LYS 89 Cb 0.40 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 30.83 2orl h LYS 89 CO -0.42 0.46 0.22 0.22 -1.08 0.00 0.00 179.45 178.86 2orl h ASP 90 N 0.71 0.25 0.19 0.86 3.58 -1.83 -2.12 116.42 118.06 2orl h ASP 90 Ca 0.37 0.06 -0.19 0.00 0.42 0.00 0.00 57.03 57.69 2orl h ASP 90 Cb 0.34 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 2orl h ASP 90 CO -0.25 0.16 -0.73 0.03 -2.88 0.00 0.00 179.24 175.57 2orl h ARG 91 N 0.42 0.47 -0.43 0.28 3.08 -1.15 -3.22 114.38 113.83 2orl h ARG 91 Ca 0.28 -0.38 0.08 0.00 0.07 0.00 0.00 59.98 60.03 2orl h ARG 91 Cb 0.30 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.33 2orl h ARG 91 CO -0.26 1.01 -0.35 -0.91 -1.07 0.00 0.00 179.97 178.39 2orl h ASN 92 N 0.32 -1.17 -0.72 7.04 2.35 -0.58 -1.36 115.58 121.46 2orl h ASN 92 Ca -0.03 0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2orl h ASN 92 Cb 1.31 0.54 -0.03 0.00 0.05 0.00 0.00 38.32 40.19 2orl h ASN 92 CO 0.13 -0.33 0.37 -0.78 -1.65 0.00 0.00 177.43 175.17 2orl h ASP 93 N -0.25 0.94 -0.91 5.81 1.82 -1.60 -2.79 116.42 119.43 2orl h ASP 93 Ca 0.18 -0.09 0.11 0.00 -0.39 0.00 0.00 57.03 56.83 2orl h ASP 93 Cb 0.55 -0.24 -0.07 0.00 0.68 0.00 0.00 39.33 40.25 2orl h ASP 93 CO -0.57 0.78 0.58 -0.07 -1.61 0.00 0.00 179.24 178.35 2orl h LEU 94 N 1.04 0.79 0.55 2.28 3.38 -1.27 -2.41 115.31 119.66 2orl h LEU 94 Ca 0.26 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2orl h LEU 94 Cb 0.08 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2orl h LEU 94 CO -0.04 0.44 -0.26 0.40 0.09 0.00 0.00 178.44 179.07 2orl h ILE 95 N 0.86 0.46 -0.77 1.22 2.04 -1.11 -0.61 117.51 119.59 2orl h ILE 95 Ca 0.44 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 66.35 2orl h ILE 95 Cb 0.49 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 2orl h ILE 95 CO -0.20 0.01 0.34 0.74 0.00 0.00 0.00 178.15 179.05 2orl h THR 96 N -0.78 0.70 0.31 -0.27 2.02 -1.53 0.37 112.91 113.73 2orl h THR 96 Ca -0.07 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2orl h THR 96 Cb 0.58 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2orl h THR 96 CO 0.12 0.09 -0.15 0.22 0.37 0.00 0.00 175.52 176.18 2orl h TYR 97 N 0.51 -0.39 -0.46 3.16 3.20 -1.24 -1.68 116.97 120.06 2orl h TYR 97 Ca 0.42 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.27 2orl h TYR 97 Cb 0.60 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2orl h TYR 97 CO -0.14 -0.08 0.28 1.25 -1.64 0.00 0.00 178.16 177.83 2orl h LEU 98 N -0.71 0.55 -0.80 2.82 7.12 -0.81 -2.44 115.31 121.06 2orl h LEU 98 Ca -0.04 -0.06 0.10 0.00 0.13 0.00 0.00 57.88 58.02 2orl h LEU 98 Cb 0.49 -0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 40.40 2orl h LEU 98 CO 0.07 0.45 0.43 0.50 -0.13 0.00 0.00 178.44 179.76 2orl h LYS 99 N 0.61 0.68 0.00 1.25 3.64 -0.32 -0.63 116.57 121.81 2orl h LYS 99 Ca 0.17 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2orl h LYS 99 Cb -0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2orl h LYS 99 CO -0.03 0.45 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.94 2orl h LYS 100 N 0.70 0.00 0.12 1.90 1.63 -0.85 -1.63 116.57 118.45 2orl h LYS 100 Ca 0.40 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.92 2orl h LYS 100 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2orl h LYS 100 CO -0.27 0.44 -1.29 0.00 -3.45 0.00 0.00 179.45 174.88 2orl h ALA 101 N 1.56 0.14 0.23 5.00 0.00 -1.02 -3.35 119.26 121.82 2orl h ALA 101 Ca -0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 54.91 53.66 2orl h ALA 101 Cb 0.83 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.71 2orl h ALA 101 CO 0.06 1.02 -1.40 1.15 0.00 0.00 0.00 179.25 180.08 2orl h THR 102 N 0.07 1.29 0.00 0.00 2.02 -1.07 -3.45 112.91 111.77 2orl h THR 102 Ca -0.15 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.37 2orl h THR 102 Cb 1.97 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 71.44 2orl h THR 102 CO 0.19 0.80 0.00 -1.84 0.37 0.00 0.00 175.52 175.04