#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 1.04 -2.34 -2.82 0.00 -1.26 -5.10 120.64 110.16 2orl n GLU -4 Ca 0.00 -3.46 -0.43 0.00 0.00 0.00 0.00 57.16 53.27 2orl n GLU -4 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 29.95 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 -1.69 2.47 -0.25 4.31 5.36 -1.26 -4.84 117.98 122.08 2orl s PHE -3 Ca 0.37 0.74 -0.08 0.00 -0.96 0.00 0.00 56.93 57.00 2orl s PHE -3 Cb 0.22 -4.08 -0.03 0.00 -0.34 0.00 0.00 43.02 38.78 2orl s PHE -3 CO -0.09 -2.01 0.09 0.15 -1.46 0.00 0.00 175.22 171.90 2orl s LYS -2 N 4.58 3.72 0.40 10.12 1.02 -1.26 -5.08 119.74 133.24 2orl s LYS -2 Ca 0.61 -0.44 -0.26 0.00 0.02 0.00 0.00 55.97 55.90 2orl s LYS -2 Cb -0.17 -3.39 -0.10 0.00 -0.52 0.00 0.00 37.83 33.65 2orl s LYS -2 CO 0.28 -0.18 1.22 0.00 -0.92 0.00 0.00 175.35 175.75 2orl n ALA -1 N 4.94 1.06 -2.60 5.17 0.00 -1.26 -4.10 120.51 123.71 2orl n ALA -1 Ca -0.16 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2orl n ALA -1 Cb 0.52 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 0.88 3.88 3.61 0.00 0.00 -1.26 -4.86 105.19 107.44 2orl n GLY 1 Ca 0.07 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 0.21 -0.56 0.27 1.61 0.01 -1.26 -5.01 113.70 108.97 2orl s SER 2 Ca 0.00 0.98 -0.01 0.00 1.31 0.00 0.00 55.95 58.23 2orl s SER 2 Cb 0.00 0.95 0.60 0.00 0.21 0.00 0.00 66.02 67.78 2orl s SER 2 CO 0.00 -0.26 1.68 0.00 0.41 0.00 0.00 173.24 175.08 2orl h ALA 3 N 4.11 1.18 0.00 1.44 0.00 -1.90 -0.58 119.26 123.51 2orl h ALA 3 Ca -0.27 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2orl h ALA 3 Cb 1.17 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2orl h ALA 3 CO 0.15 -0.36 0.00 1.17 0.00 0.00 0.00 179.25 180.21 2orl n LYS 4 N -5.13 0.61 -0.03 0.00 4.81 -1.26 -2.80 118.16 114.36 2orl n LYS 4 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 2orl n LYS 4 Cb 0.56 -1.34 -0.03 0.00 0.02 0.00 0.00 35.03 34.25 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 0.24 -0.08 1.64 5.02 -0.25 -4.58 118.16 119.32 2orl n LYS 5 Ca 0.10 0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.60 2orl n LYS 5 Cb 0.05 -0.91 0.50 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.43 0.57 0.76 0.72 0.00 -1.56 -2.47 103.07 100.66 2orl h GLY 6 Ca -0.14 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.06 2orl h GLY 6 CO -0.09 0.11 0.38 0.00 0.00 0.00 0.00 176.54 176.94 2orl h ALA 7 N 1.70 0.87 -0.43 3.60 0.00 -1.78 -1.48 119.26 121.73 2orl h ALA 7 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2orl h ALA 7 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2orl h ALA 7 CO -0.07 0.09 -0.10 1.79 0.00 0.00 0.00 179.25 180.96 2orl h THR 8 N 0.72 1.25 0.57 0.00 1.35 -1.69 -2.08 112.91 113.04 2orl h THR 8 Ca 0.28 -1.14 -0.03 0.00 -0.55 0.00 0.00 66.41 64.97 2orl h THR 8 Cb 0.12 1.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.57 2orl h THR 8 CO -0.15 0.39 -0.27 -0.07 -0.25 0.00 0.00 175.52 175.17 2orl h LEU 9 N 0.70 -0.65 -1.44 3.87 3.38 -1.47 -3.14 115.31 116.57 2orl h LEU 9 Ca 0.12 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2orl h LEU 9 Cb 0.57 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2orl h LEU 9 CO 0.04 -0.28 0.53 0.15 0.09 0.00 0.00 178.44 178.97 2orl h PHE 10 N -1.08 0.65 0.00 1.13 3.57 -1.35 -2.21 116.94 117.65 2orl h PHE 10 Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2orl h PHE 10 Cb 0.64 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2orl h PHE 10 CO 0.01 0.26 0.00 1.17 -2.23 0.00 0.00 178.31 177.51 2orl n LYS 11 N -4.51 0.01 -0.32 1.11 4.81 -0.78 -0.37 118.16 118.10 2orl n LYS 11 Ca 0.15 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2orl n LYS 11 Cb 0.47 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.02 2orl n LYS 11 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2orl n THR 12 N -1.48 0.00 0.00 3.15 5.66 -0.88 -4.54 114.28 116.19 2orl n THR 12 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2orl n THR 12 Cb 0.05 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 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 0.00 1.54 0.00 1.09 5.12 -0.92 -4.94 116.66 118.55 2orl n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2orl n ARG 13 Cb 0.62 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 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 0.67 -1.42 0.00 5.85 -1.11 -2.20 115.31 117.11 2orl h LEU 15 Ca 0.00 0.12 0.49 0.00 0.84 0.00 0.00 57.88 59.33 2orl h LEU 15 Cb 0.42 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.32 2orl h LEU 15 CO 0.00 0.14 0.92 0.00 -0.34 0.00 0.00 178.44 179.16 2orl n GLN 16 N -4.82 -0.03 0.00 1.25 10.64 -1.26 -3.28 117.38 119.87 2orl n GLN 16 Ca 0.26 1.25 0.00 0.00 -1.83 0.00 0.00 57.00 56.68 2orl n GLN 16 Cb 0.72 -2.48 0.00 0.00 -0.86 0.00 0.00 30.24 27.62 2orl n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2orl n HIS 18 N -1.80 -2.65 -3.69 0.00 8.25 -0.86 -1.91 115.22 112.55 2orl n HIS 18 Ca 0.00 -1.81 -0.16 0.00 -0.26 0.00 0.00 57.72 55.49 2orl n HIS 18 Cb 0.33 -0.60 -0.15 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.62 -0.19 0.18 1.59 -4.23 -1.25 -4.56 115.64 104.55 2orl s THR 19 Ca 0.59 0.29 0.07 0.00 -1.18 0.00 0.00 61.69 61.46 2orl s THR 19 Cb -0.04 -0.28 -0.14 0.00 1.34 0.00 0.00 72.50 73.38 2orl s THR 19 CO 0.39 0.12 1.40 1.62 -0.54 0.00 0.00 174.62 177.61 2orl h VAL 20 N 6.26 1.57 -5.68 2.29 3.04 -1.95 -0.43 116.25 121.35 2orl h VAL 20 Ca -0.24 -2.81 -0.42 0.00 -1.01 0.00 0.00 66.70 62.22 2orl h VAL 20 Cb 1.12 2.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.93 2orl h VAL 20 CO 0.24 0.81 -0.15 -1.84 -1.01 0.00 0.00 177.57 175.62 2orl n GLU 21 N -3.57 0.79 -0.81 4.17 -0.00 -1.26 -3.34 120.64 116.61 2orl n GLU 21 Ca -0.02 -2.60 0.04 0.00 -0.00 0.00 0.00 57.16 54.59 2orl n GLU 21 Cb 0.81 0.10 0.34 0.00 -0.00 0.00 0.00 31.44 32.69 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 -1.70 4.04 -0.04 3.44 5.02 -1.26 -4.44 118.16 123.22 2orl n LYS 22 Ca 0.04 -3.08 0.02 0.00 -2.02 0.00 0.00 58.31 53.28 2orl n LYS 22 Cb 0.48 -2.14 -0.15 0.00 -0.02 0.00 0.00 35.03 33.20 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 0.09 -1.03 3.68 0.72 0.00 -1.26 -4.92 105.19 102.46 2orl n GLY 23 Ca 0.29 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.89 2.18 0.64 -0.02 0.00 -1.26 -5.05 107.32 98.92 2orl s GLY 24 Ca -0.08 0.05 -0.18 0.00 0.00 0.00 0.00 44.72 44.51 2orl s GLY 24 CO 0.87 1.61 1.28 2.56 0.00 0.00 0.00 173.10 179.42 2orl s PRO 25 N 1.97 2.60 -0.08 2.90 0.04 -1.26 -4.87 135.00 136.30 2orl s PRO 25 Ca 0.38 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 2orl s PRO 25 Cb -0.17 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2orl s PRO 25 CO 0.13 -1.55 2.06 0.72 0.04 0.00 0.00 177.00 178.40 2orl n HIS 26 N -1.88 2.27 0.00 0.56 8.25 -1.26 -4.90 115.22 118.25 2orl n HIS 26 Ca 0.16 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2orl n HIS 26 Cb 0.48 -2.75 0.00 0.00 1.12 0.00 0.00 29.99 28.84 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 7.90 1.92 0.31 -0.41 5.02 -1.20 -4.87 118.16 126.83 2orl n LYS 27 Ca 0.25 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.73 2orl n LYS 27 Cb 0.40 0.00 1.03 0.00 -0.02 0.00 0.00 35.03 36.44 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 0.22 -3.07 -0.18 2.07 -1.82 -3.43 116.25 110.04 2orl h VAL 28 Ca 0.00 -0.11 -0.41 0.00 0.82 0.00 0.00 66.70 67.00 2orl h VAL 28 Cb 0.00 1.09 -0.15 0.00 -1.52 0.00 0.00 31.29 30.71 2orl h VAL 28 CO 0.00 0.02 -0.73 -0.83 0.02 0.00 0.00 177.57 176.05 2orl s GLY 29 N -4.15 1.30 1.24 2.17 0.00 -0.80 -5.01 107.32 102.07 2orl s GLY 29 Ca -0.04 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 42.88 2orl s GLY 29 CO 0.48 -1.69 1.10 2.56 0.00 0.00 0.00 173.10 175.56 2orl s PRO 30 N -3.65 -1.54 0.24 2.90 0.04 -1.26 -4.42 135.00 127.31 2orl s PRO 30 Ca 0.20 -0.14 -0.24 0.00 0.04 0.00 0.00 61.00 60.85 2orl s PRO 30 Cb 0.00 -1.57 -0.09 0.00 0.04 0.00 0.00 34.50 32.89 2orl s PRO 30 CO 0.05 -3.91 0.83 1.21 0.04 0.00 0.00 177.00 175.22 2orl s ASN 31 N -3.93 7.30 -0.06 6.66 3.84 -1.26 -3.92 114.94 123.56 2orl s ASN 31 Ca 0.72 1.66 0.16 0.00 0.21 0.00 0.00 52.86 55.61 2orl s ASN 31 Cb -0.08 -2.51 -0.22 0.00 -0.55 0.00 0.00 41.25 37.89 2orl s ASN 31 CO 0.56 0.07 0.53 0.18 -2.79 0.00 0.00 177.10 175.64 2orl n LEU 32 N 1.00 0.58 -4.55 3.21 4.77 -0.17 -4.81 117.00 117.03 2orl n LEU 32 Ca -0.02 0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 2orl n LEU 32 Cb 0.50 0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2orl n LEU 32 CO 0.45 0.34 1.47 1.57 -1.33 0.00 0.00 177.39 179.88 2orl n HIS 33 N -2.88 1.18 0.00 -1.77 -0.00 -1.21 -1.52 115.22 109.02 2orl n HIS 33 Ca -0.19 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.01 2orl n HIS 33 Cb 1.00 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.33 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 6.56 1.16 0.30 1.57 0.00 -1.26 -4.94 105.19 108.58 2orl n GLY 34 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 2orl n GLY 34 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2orl h ILE 35 N 0.00 1.26 -1.85 -0.61 3.07 -1.59 -3.40 117.51 114.39 2orl h ILE 35 Ca 0.00 -1.12 -0.60 0.00 1.55 0.00 0.00 64.86 64.69 2orl h ILE 35 Cb 0.00 0.78 -0.00 0.00 -0.27 0.00 0.00 36.82 37.33 2orl h ILE 35 CO 0.00 0.41 1.46 0.49 -1.05 0.00 0.00 178.15 179.46 2orl n PHE 36 N -4.21 1.94 0.00 0.16 3.72 -1.26 -0.94 117.46 116.87 2orl n PHE 36 Ca 0.03 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2orl n PHE 36 Cb 0.33 -2.70 0.00 0.00 -0.94 0.00 0.00 39.48 36.17 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 5.80 0.34 4.01 1.37 0.00 0.00 -5.02 105.19 111.69 2orl n GLY 37 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.88 2.63 0.26 1.61 0.52 -0.12 -4.84 118.95 118.13 2orl s ARG 38 Ca 0.00 -1.40 0.02 0.00 -0.52 0.00 0.00 55.73 53.82 2orl s ARG 38 Cb 0.00 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 2orl s ARG 38 CO 0.00 -0.48 0.43 -1.01 0.02 0.00 0.00 175.30 174.26 2orl s HIS 39 N -2.47 3.48 0.06 -0.53 3.76 -1.26 -0.94 115.29 117.38 2orl s HIS 39 Ca 0.57 0.22 -0.34 0.00 -0.15 0.00 0.00 55.06 55.36 2orl s HIS 39 Cb -0.08 -1.77 -0.13 0.00 1.11 0.00 0.00 32.58 31.72 2orl s HIS 39 CO 0.35 0.32 1.73 0.43 -0.85 0.00 0.00 174.74 176.72 2orl n SER 40 N -1.26 3.34 -0.44 1.40 7.64 0.06 -3.52 113.62 120.84 2orl n SER 40 Ca -0.06 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.85 2orl n SER 40 Cb 0.56 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 3.89 0.55 0.28 0.23 0.00 -1.26 -4.25 105.19 104.63 2orl n GLY 41 Ca 0.19 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 1.37 -2.30 1.61 6.02 -1.23 -4.97 117.38 117.44 2orl n GLN 42 Ca 0.00 -2.82 -0.43 0.00 -0.01 0.00 0.00 57.00 53.74 2orl n GLN 42 Cb 0.24 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 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 -2.96 3.56 -1.00 -1.58 0.00 -1.26 -4.95 121.76 113.58 2orl s ALA 43 Ca 0.34 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 2orl s ALA 43 Cb 0.31 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2orl s ALA 43 CO -0.01 -1.40 1.91 -1.21 0.00 0.00 0.00 175.76 175.06 2orl s GLU 44 N 3.85 2.62 0.00 0.00 8.01 -1.26 -2.78 118.70 129.14 2orl s GLU 44 Ca 0.61 -0.62 0.00 0.00 0.01 0.00 0.00 54.97 54.97 2orl s GLU 44 Cb -0.24 -5.14 0.00 0.00 -4.31 0.00 0.00 34.13 24.44 2orl s GLU 44 CO 0.21 -3.47 0.00 0.41 0.01 0.00 0.00 175.26 172.42 2orl n GLY 45 N 6.53 0.77 2.94 -1.39 0.00 -1.26 -5.05 105.19 107.73 2orl n GLY 45 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.16 0.67 0.13 1.61 6.14 -1.12 -4.98 117.35 118.64 2orl s TYR 46 Ca 0.00 -0.15 -0.09 0.00 0.64 0.00 0.00 57.07 57.47 2orl s TYR 46 Cb 0.00 -0.52 -0.06 0.00 0.42 0.00 0.00 41.96 41.80 2orl s TYR 46 CO 0.00 -0.09 0.44 -1.12 0.64 0.00 0.00 175.55 175.42 2orl s SER 47 N 0.33 6.62 0.00 4.32 0.01 -1.26 -4.49 113.70 119.23 2orl s SER 47 Ca -0.04 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2orl s SER 47 Cb -0.08 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2orl s SER 47 CO -0.00 0.09 0.00 -1.22 0.41 0.00 0.00 173.24 172.52 2orl n TYR 48 N 0.49 0.00 -4.34 2.43 4.02 -1.26 -5.00 117.16 113.50 2orl n TYR 48 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.67 2orl n TYR 48 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 2orl n TYR 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2orl s THR 49 N 4.67 0.62 0.37 -0.72 -4.23 -1.26 -5.03 115.64 110.05 2orl s THR 49 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 2orl s THR 49 Cb 0.00 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.49 2orl s THR 49 CO 0.00 0.00 1.95 -0.78 -0.54 0.00 0.00 174.62 175.25 2orl h ASP 50 N 2.33 0.64 0.57 3.99 3.58 -1.96 -2.47 116.42 123.10 2orl h ASP 50 Ca -0.38 0.01 -0.28 0.00 0.42 0.00 0.00 57.03 56.79 2orl h ASP 50 Cb 1.25 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 2orl h ASP 50 CO 0.61 0.41 -1.42 0.00 -2.88 0.00 0.00 179.24 175.96 2orl h ALA 51 N 1.61 0.31 -0.08 -0.78 0.00 -1.95 -3.20 119.26 115.18 2orl h ALA 51 Ca 0.32 -1.08 -0.23 0.00 0.00 0.00 0.00 54.91 53.92 2orl h ALA 51 Cb 0.30 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2orl h ALA 51 CO -0.11 1.18 -0.86 -0.97 0.00 0.00 0.00 179.25 178.49 2orl h ASN 52 N 0.05 0.79 0.13 0.00 -0.73 -1.88 -3.17 115.58 110.78 2orl h ASN 52 Ca -0.19 -0.57 -0.01 0.00 1.87 0.00 0.00 56.30 57.40 2orl h ASN 52 Cb 1.97 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.32 2orl h ASN 52 CO 0.15 1.36 -0.06 0.40 -0.37 0.00 0.00 177.43 178.91 2orl h ILE 53 N 0.41 0.00 -0.22 2.57 2.04 -1.60 -2.82 117.51 117.88 2orl h ILE 53 Ca -0.07 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2orl h ILE 53 Cb 1.49 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2orl h ILE 53 CO 0.17 0.00 0.93 0.29 0.00 0.00 0.00 178.15 179.54 2orl n LYS 54 N -2.67 0.02 0.12 2.37 5.02 -1.21 -0.87 118.16 120.94 2orl n LYS 54 Ca -0.02 0.86 -0.19 0.00 -2.02 0.00 0.00 58.31 56.93 2orl n LYS 54 Cb 0.07 -2.27 -0.15 0.00 -0.02 0.00 0.00 35.03 32.67 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 -5.57 1.97 1.63 -1.47 -3.48 116.57 110.02 2orl h LYS 55 Ca 0.11 -0.63 -0.38 0.00 -0.85 0.00 0.00 60.65 58.90 2orl h LYS 55 Cb 1.97 0.23 -0.24 0.00 -0.60 0.00 0.00 32.23 33.60 2orl h LYS 55 CO -0.00 1.29 -0.55 0.09 -3.45 0.00 0.00 179.45 176.83 2orl n ASN 56 N -3.59 -1.12 -4.73 4.20 3.02 -0.05 -4.87 115.26 108.13 2orl n ASN 56 Ca -0.12 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.25 2orl n ASN 56 Cb 1.06 -0.98 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2orl n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2orl s VAL 57 N -2.37 3.16 -0.70 2.41 0.11 -1.26 -4.20 120.40 117.55 2orl s VAL 57 Ca 0.51 0.88 -0.27 0.00 -2.93 0.00 0.00 61.98 60.18 2orl s VAL 57 Cb -0.30 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 31.02 2orl s VAL 57 CO 0.63 0.10 1.22 -0.22 -3.33 0.00 0.00 175.10 173.49 2orl s LEU 58 N 0.56 3.38 -0.28 2.54 0.20 -1.26 -0.76 118.68 123.06 2orl s LEU 58 Ca 0.62 -0.43 -0.31 0.00 0.69 0.00 0.00 54.13 54.70 2orl s LEU 58 Cb -0.38 -2.64 -0.08 0.00 -0.43 0.00 0.00 46.19 42.66 2orl s LEU 58 CO 0.34 -1.72 2.22 0.79 -0.29 0.00 0.00 176.35 177.70 2orl n TRP 59 N 8.98 1.79 -4.03 5.38 5.03 -0.12 -4.87 117.44 129.60 2orl n TRP 59 Ca 0.03 0.04 -0.15 0.00 3.03 0.00 0.00 57.50 60.45 2orl n TRP 59 Cb 0.49 -2.65 -0.02 0.00 -1.03 0.00 0.00 31.31 28.10 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 11.13 2.28 -0.00 -0.99 2.03 -1.26 -0.82 116.55 128.92 2orl n ASP 60 Ca 0.35 -2.03 -0.12 0.00 0.52 0.00 0.00 54.79 53.51 2orl n ASP 60 Cb 0.36 0.08 -0.07 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.10 0.05 -0.67 4.57 -2.01 -2.96 114.58 113.66 2orl h GLU 61 Ca -0.19 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.77 2orl h GLU 61 Cb 0.64 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2orl h GLU 61 CO 0.31 0.21 -1.06 -0.97 -1.18 0.00 0.00 179.01 176.33 2orl h ASN 62 N -0.04 0.17 -0.81 1.04 -1.24 -1.98 -3.39 115.58 109.33 2orl h ASN 62 Ca 0.02 -0.77 0.20 0.00 0.71 0.00 0.00 56.30 56.46 2orl h ASN 62 Cb 0.15 -0.06 -0.13 0.00 0.73 0.00 0.00 38.32 39.02 2orl h ASN 62 CO -0.00 1.44 0.20 -1.13 -1.29 0.00 0.00 177.43 176.66 2orl h ASN 63 N -0.68 0.00 -0.96 1.15 -0.73 -1.91 -0.62 115.58 111.83 2orl h ASN 63 Ca -0.25 0.17 0.15 0.00 1.87 0.00 0.00 56.30 58.24 2orl h ASN 63 Cb 1.45 0.23 -0.08 0.00 0.27 0.00 0.00 38.32 40.19 2orl h ASN 63 CO -0.04 -0.09 0.61 -0.03 -0.37 0.00 0.00 177.43 177.50 2orl h MET 64 N 0.24 0.77 -0.50 6.67 4.05 -1.70 -1.44 114.93 123.03 2orl h MET 64 Ca 0.48 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.76 2orl h MET 64 Cb 0.90 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 2orl h MET 64 CO -0.59 0.51 -0.08 0.77 0.23 0.00 0.00 176.91 177.76 2orl h SER 65 N 0.80 0.88 -0.96 1.39 0.02 -1.31 0.22 113.55 114.58 2orl h SER 65 Ca 0.50 -0.26 0.18 0.00 -0.84 0.00 0.00 61.79 61.37 2orl h SER 65 Cb 0.72 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 62.94 2orl h SER 65 CO -0.27 0.98 0.61 1.05 -1.14 0.00 0.00 176.83 178.06 2orl h GLU 66 N 0.81 0.66 0.11 3.45 4.11 -1.11 -2.22 114.58 120.37 2orl h GLU 66 Ca 0.14 -0.04 -0.33 0.00 0.07 0.00 0.00 59.36 59.19 2orl h GLU 66 Cb 0.59 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2orl h GLU 66 CO 0.04 0.44 -1.80 -0.92 0.07 0.00 0.00 179.01 176.83 2orl h TYR 67 N 0.68 0.42 -0.90 2.06 3.20 -1.46 -3.39 116.97 117.58 2orl h TYR 67 Ca 0.52 -0.31 0.10 0.00 3.14 0.00 0.00 58.73 62.19 2orl h TYR 67 Cb 0.91 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 39.10 2orl h TYR 67 CO -0.00 1.71 0.58 -0.07 -1.64 0.00 0.00 178.16 178.74 2orl h LEU 68 N -0.14 0.80 -2.04 2.82 3.38 -0.57 -1.49 115.31 118.07 2orl h LEU 68 Ca -0.40 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2orl h LEU 68 Cb 1.89 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 2orl h LEU 68 CO 0.04 0.46 -0.04 0.74 0.09 0.00 0.00 178.44 179.73 2orl h THR 69 N 0.88 0.87 -0.72 0.22 2.02 -1.61 -3.23 112.91 111.35 2orl h THR 69 Ca 0.42 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 2orl h THR 69 Cb 0.45 1.09 -0.17 0.00 -1.74 0.00 0.00 68.15 67.77 2orl h THR 69 CO -0.19 0.04 -0.34 0.21 0.37 0.00 0.00 175.52 175.61 2orl s ASN 70 N -6.76 -1.08 0.19 4.18 3.84 -0.73 -4.50 114.94 110.09 2orl s ASN 70 Ca -0.05 -0.83 -0.11 0.00 0.21 0.00 0.00 52.86 52.09 2orl s ASN 70 Cb 0.16 1.39 0.11 0.00 -0.55 0.00 0.00 41.25 42.37 2orl s ASN 70 CO 0.64 -0.09 1.78 1.55 -2.79 0.00 0.00 177.10 178.19 2orl h PRO 71 N 5.76 0.97 -0.43 0.43 0.13 -1.51 -2.66 132.00 134.69 2orl h PRO 71 Ca 0.03 -0.14 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2orl h PRO 71 Cb 1.17 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 2orl h PRO 71 CO 0.01 0.76 0.06 0.87 -0.23 0.00 0.00 178.00 179.47 2orl h LYS 72 N 0.94 0.66 -0.09 0.86 1.57 -1.80 0.33 116.57 119.04 2orl h LYS 72 Ca 0.23 -0.13 -0.22 0.00 -1.87 0.00 0.00 60.65 58.66 2orl h LYS 72 Cb 0.10 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2orl h LYS 72 CO -0.03 0.63 -0.83 -0.22 -0.57 0.00 0.00 179.45 178.43 2orl h LYS 73 N 0.63 0.62 -0.01 3.15 1.63 -1.92 -3.30 116.57 117.37 2orl h LYS 73 Ca 0.14 -0.55 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 2orl h LYS 73 Cb 0.30 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2orl h LYS 73 CO 0.00 1.17 -0.02 -0.92 -3.45 0.00 0.00 179.45 176.23 2orl h TYR 74 N 0.40 0.03 -3.44 1.91 3.20 -1.30 -3.41 116.97 114.37 2orl h TYR 74 Ca -0.06 -0.01 -0.71 0.00 3.14 0.00 0.00 58.73 61.08 2orl h TYR 74 Cb 1.45 -0.01 -0.33 0.00 1.54 0.00 0.00 36.73 39.39 2orl h TYR 74 CO 0.07 0.69 -0.45 0.42 -1.64 0.00 0.00 178.16 177.25 2orl s ILE 75 N -3.55 3.72 -0.36 1.81 1.01 0.09 -5.07 121.20 118.86 2orl s ILE 75 Ca -0.17 -2.13 -0.28 0.00 0.00 0.00 0.00 60.65 58.07 2orl s ILE 75 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 2orl s ILE 75 CO 0.69 -0.76 1.86 -2.16 0.00 0.00 0.00 174.94 174.56 2orl s PRO 76 N 0.99 3.19 0.00 2.79 0.04 -1.24 -2.42 135.00 138.34 2orl s PRO 76 Ca 0.09 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2orl s PRO 76 Cb -0.23 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2orl s PRO 76 CO -0.03 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.38 2orl n GLY 77 N 5.50 0.78 3.76 0.56 0.00 -1.26 -4.72 105.19 109.80 2orl n GLY 77 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 2.05 0.24 2.61 -1.32 -1.01 -4.95 115.64 111.25 2orl s THR 78 Ca 0.00 0.04 0.23 0.00 -1.21 0.00 0.00 61.69 60.75 2orl s THR 78 Cb 0.00 -3.02 0.22 0.00 -1.51 0.00 0.00 72.50 68.19 2orl s THR 78 CO 0.00 0.00 1.88 0.11 -2.21 0.00 0.00 174.62 174.40 2orl h LYS 79 N 1.91 0.00 -6.07 7.08 1.57 -1.96 -3.42 116.57 115.69 2orl h LYS 79 Ca -0.51 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.77 2orl h LYS 79 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 2orl h LYS 79 CO 0.59 0.24 1.26 1.41 -0.57 0.00 0.00 179.45 182.38 2orl s MET 80 N -3.83 2.78 -0.20 3.15 1.75 -1.26 -4.84 119.30 116.86 2orl s MET 80 Ca -0.01 0.33 0.14 0.00 -1.25 0.00 0.00 55.69 54.90 2orl s MET 80 Cb 0.11 -4.37 0.75 0.00 2.84 0.00 0.00 34.83 34.17 2orl s MET 80 CO 0.64 -2.59 1.64 0.00 -0.65 0.00 0.00 175.02 174.06 2orl n ALA 81 N 11.85 3.68 0.10 4.11 0.00 -1.26 -4.54 120.51 134.44 2orl n ALA 81 Ca 0.16 -1.72 0.01 0.00 0.00 0.00 0.00 53.44 51.89 2orl n ALA 81 Cb 0.51 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 18.91 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 0.66 0.00 0.00 0.00 7.35 -1.26 -4.89 117.46 119.32 2orl n PHE 82 Ca 0.25 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 2orl n PHE 82 Cb 1.08 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 40.46 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 -1.20 1.57 0.21 7.13 0.00 -1.26 -4.76 105.19 106.87 2orl n GLY 83 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.95 3.55 -0.02 0.00 -1.26 -4.62 105.19 101.89 2orl n GLY 84 Ca 0.00 -1.02 -0.38 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 -0.04 3.30 0.50 0.99 1.43 -1.22 -4.81 118.68 118.83 2orl s LEU 85 Ca 0.00 0.39 0.23 0.00 -1.03 0.00 0.00 54.13 53.73 2orl s LEU 85 Cb 0.00 -2.54 1.33 0.00 0.03 0.00 0.00 46.19 45.01 2orl s LEU 85 CO 0.00 -2.40 2.05 0.11 0.23 0.00 0.00 176.35 176.34 2orl h LYS 86 N 15.22 0.00 -6.47 1.70 1.79 -1.89 -3.41 116.57 123.52 2orl h LYS 86 Ca -0.26 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.65 2orl h LYS 86 Cb 1.17 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 2orl h LYS 86 CO 1.21 0.14 1.11 0.15 -1.08 0.00 0.00 179.45 180.98 2orl s LYS 87 N -4.35 3.48 0.20 3.15 1.02 -1.26 -4.94 119.74 117.04 2orl s LYS 87 Ca -0.03 0.93 -0.10 0.00 0.02 0.00 0.00 55.97 56.79 2orl s LYS 87 Cb 0.14 -4.07 0.20 0.00 -0.52 0.00 0.00 37.83 33.58 2orl s LYS 87 CO 0.62 -1.69 1.82 1.49 -0.92 0.00 0.00 175.35 176.67 2orl h GLU 88 N 11.19 0.72 -0.96 1.68 4.81 -1.98 -2.74 114.58 127.30 2orl h GLU 88 Ca -0.28 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 2orl h GLU 88 Cb 1.11 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.27 2orl h GLU 88 CO 1.09 0.47 0.62 0.87 -0.73 0.00 0.00 179.01 181.34 2orl h LYS 89 N 0.74 1.15 -0.50 1.92 1.79 -1.92 -0.72 116.57 119.03 2orl h LYS 89 Ca 0.28 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2orl h LYS 89 Cb 0.11 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 2orl h LYS 89 CO -0.14 0.76 0.29 -0.44 -1.08 0.00 0.00 179.45 178.84 2orl h ASP 90 N 1.19 0.62 -0.02 0.86 5.19 -1.91 -2.91 116.42 119.44 2orl h ASP 90 Ca 0.39 -0.07 -0.18 0.00 -0.62 0.00 0.00 57.03 56.54 2orl h ASP 90 Cb 0.04 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 2orl h ASP 90 CO -0.13 0.51 -0.63 0.03 -3.12 0.00 0.00 179.24 175.89 2orl h ARG 91 N 0.67 0.63 -0.53 3.56 3.08 -1.20 -3.18 114.38 117.42 2orl h ARG 91 Ca 0.18 -0.45 0.09 0.00 0.07 0.00 0.00 59.98 59.87 2orl h ARG 91 Cb 0.02 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.04 2orl h ARG 91 CO -0.03 1.06 -0.40 -0.91 -1.07 0.00 0.00 179.97 178.62 2orl h ASN 92 N 0.46 -1.37 -0.64 7.04 2.35 -0.94 -1.20 115.58 121.27 2orl h ASN 92 Ca -0.01 0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 2orl h ASN 92 Cb 1.21 0.63 -0.03 0.00 0.05 0.00 0.00 38.32 40.19 2orl h ASN 92 CO 0.12 -0.33 0.14 -0.78 -1.65 0.00 0.00 177.43 174.93 2orl h ASP 93 N -0.24 1.00 -0.98 5.81 1.82 -1.65 -3.10 116.42 119.09 2orl h ASP 93 Ca 0.18 -0.21 0.13 0.00 -0.39 0.00 0.00 57.03 56.73 2orl h ASP 93 Cb 0.56 -0.26 -0.09 0.00 0.68 0.00 0.00 39.33 40.22 2orl h ASP 93 CO -0.65 0.98 0.60 -0.07 -1.61 0.00 0.00 179.24 178.49 2orl h LEU 94 N 1.00 0.87 0.02 2.28 3.38 -1.22 -2.45 115.31 119.19 2orl h LEU 94 Ca 0.21 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2orl h LEU 94 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2orl h LEU 94 CO 0.00 0.45 -0.01 0.40 0.09 0.00 0.00 178.44 179.37 2orl h ILE 95 N 0.93 1.10 -0.86 1.22 2.04 -1.29 -2.37 117.51 118.28 2orl h ILE 95 Ca 0.49 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 66.13 2orl h ILE 95 Cb 0.53 1.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 2orl h ILE 95 CO -0.28 0.09 0.46 0.74 0.00 0.00 0.00 178.15 179.16 2orl h THR 96 N -0.18 0.77 0.26 -0.27 2.02 -1.48 0.37 112.91 114.40 2orl h THR 96 Ca -0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2orl h THR 96 Cb 0.17 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2orl h THR 96 CO 0.00 0.12 -0.13 0.22 0.37 0.00 0.00 175.52 176.11 2orl h TYR 97 N 0.68 -0.33 -0.29 3.16 3.20 -1.34 -1.89 116.97 120.16 2orl h TYR 97 Ca 0.46 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.34 2orl h TYR 97 Cb 0.61 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2orl h TYR 97 CO -0.08 0.01 0.16 1.25 -1.64 0.00 0.00 178.16 177.86 2orl h LEU 98 N -0.70 0.26 -0.77 2.82 5.85 -1.06 -2.42 115.31 119.28 2orl h LEU 98 Ca -0.04 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.83 2orl h LEU 98 Cb 0.48 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 2orl h LEU 98 CO 0.06 0.19 0.34 0.50 -0.34 0.00 0.00 178.44 179.19 2orl h LYS 99 N 0.33 0.49 0.00 1.25 3.64 -0.32 -0.38 116.57 121.58 2orl h LYS 99 Ca 0.11 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2orl h LYS 99 Cb 0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2orl h LYS 99 CO -0.06 0.32 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.78 2orl h LYS 100 N 0.50 0.00 0.16 1.90 1.63 -0.87 -1.84 116.57 118.05 2orl h LYS 100 Ca 0.42 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.93 2orl h LYS 100 Cb 0.61 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2orl h LYS 100 CO -0.38 0.44 -1.33 0.00 -3.45 0.00 0.00 179.45 174.74 2orl h ALA 101 N 1.56 0.05 0.11 5.00 0.00 -1.00 -3.35 119.26 121.62 2orl h ALA 101 Ca -0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 54.91 53.71 2orl h ALA 101 Cb 0.82 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.71 2orl h ALA 101 CO 0.06 0.92 -1.22 1.15 0.00 0.00 0.00 179.25 180.16 2orl h THR 102 N 0.09 1.28 0.00 0.00 2.02 -1.02 -3.47 112.91 111.81 2orl h THR 102 Ca -0.17 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.57 2orl h THR 102 Cb 2.03 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 71.10 2orl h THR 102 CO 0.22 0.74 0.00 -1.84 0.37 0.00 0.00 175.52 175.01