#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 1.09 -1.99 -2.82 0.00 -1.26 -5.13 120.64 110.52 2orl n GLU -4 Ca 0.00 -2.53 -0.41 0.00 0.00 0.00 0.00 57.16 54.23 2orl n GLU -4 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 31.44 30.48 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 -1.14 2.91 -0.03 4.31 5.36 -1.26 -4.79 117.98 123.34 2orl s PHE -3 Ca 0.27 1.22 -0.01 0.00 -0.96 0.00 0.00 56.93 57.45 2orl s PHE -3 Cb 0.37 -3.82 0.03 0.00 -0.34 0.00 0.00 43.02 39.26 2orl s PHE -3 CO -0.05 -2.44 0.06 0.15 -1.46 0.00 0.00 175.22 171.48 2orl s LYS -2 N -1.41 -0.02 0.34 10.12 3.01 -1.26 -5.11 119.74 125.40 2orl s LYS -2 Ca 0.53 0.25 -0.27 0.00 -1.01 0.00 0.00 55.97 55.48 2orl s LYS -2 Cb -0.42 -0.26 -0.13 0.00 -1.01 0.00 0.00 37.83 36.01 2orl s LYS -2 CO 0.53 -0.19 0.97 0.00 0.51 0.00 0.00 175.35 177.17 2orl n ALA -1 N 4.31 -0.20 -2.89 5.17 0.00 -1.26 -4.27 120.51 121.37 2orl n ALA -1 Ca -0.25 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2orl n ALA -1 Cb 0.50 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 1.25 4.80 3.58 0.00 0.00 -1.26 -4.86 105.19 108.69 2orl n GLY 1 Ca 0.10 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 0.77 -0.70 0.25 1.61 0.01 -1.26 -5.03 113.70 109.35 2orl s SER 2 Ca 0.00 1.35 -0.05 0.00 1.31 0.00 0.00 55.95 58.56 2orl s SER 2 Cb 0.00 1.36 0.49 0.00 0.21 0.00 0.00 66.02 68.08 2orl s SER 2 CO 0.00 -0.23 1.67 0.00 0.41 0.00 0.00 173.24 175.09 2orl h ALA 3 N 5.12 0.96 0.00 1.44 0.00 -1.90 -0.17 119.26 124.71 2orl h ALA 3 Ca -0.29 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2orl h ALA 3 Cb 1.16 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2orl h ALA 3 CO 0.08 -0.37 0.00 1.17 0.00 0.00 0.00 179.25 180.13 2orl n LYS 4 N -5.20 0.70 -0.04 0.00 4.81 -1.26 -2.72 118.16 114.46 2orl n LYS 4 Ca 0.15 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 2orl n LYS 4 Cb 0.49 -1.30 -0.03 0.00 0.02 0.00 0.00 35.03 34.21 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 -0.80 0.25 0.18 1.64 5.02 -0.12 -4.58 118.16 119.75 2orl n LYS 5 Ca 0.10 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 2orl n LYS 5 Cb 0.05 -0.93 0.72 0.00 -0.02 0.00 0.00 35.03 34.85 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 -0.45 0.00 0.73 0.72 0.00 -1.52 -2.80 103.07 99.76 2orl h GLY 6 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2orl h GLY 6 CO -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.26 2orl h ALA 7 N 1.88 -0.35 -1.12 3.60 0.00 -1.77 -2.48 119.26 119.02 2orl h ALA 7 Ca 0.09 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.27 2orl h ALA 7 Cb 0.38 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 2orl h ALA 7 CO -0.00 -0.73 0.72 1.79 0.00 0.00 0.00 179.25 181.03 2orl h THR 8 N -0.39 0.41 0.00 0.00 1.35 -1.74 0.97 112.91 113.51 2orl h THR 8 Ca 0.01 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2orl h THR 8 Cb 0.38 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 2orl h THR 8 CO -0.07 0.05 0.00 0.18 -0.25 0.00 0.00 175.52 175.43 2orl n LEU 9 N -4.64 1.11 -0.33 3.87 7.99 -0.95 -3.24 117.00 120.82 2orl n LEU 9 Ca 0.29 0.31 0.27 0.00 -0.01 0.00 0.00 56.01 56.86 2orl n LEU 9 Cb 1.04 0.00 0.50 0.00 -0.11 0.00 0.00 43.42 44.85 2orl n LEU 9 CO 0.24 0.00 1.02 0.15 -1.51 0.00 0.00 177.39 177.29 2orl h PHE 10 N 0.00 0.66 0.00 -1.77 3.04 -1.46 0.22 116.94 117.64 2orl h PHE 10 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2orl h PHE 10 Cb 0.00 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.39 2orl h PHE 10 CO 0.00 -0.41 0.00 -0.22 -2.02 0.00 0.00 178.31 175.66 2orl h LYS 11 N 0.06 0.00 0.00 1.11 3.64 -0.90 0.49 116.57 120.97 2orl h LYS 11 Ca 0.77 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 60.08 2orl h LYS 11 Cb 1.93 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.59 2orl h LYS 11 CO -0.77 0.00 -0.70 -2.37 -2.27 0.00 0.00 179.45 173.35 2orl n THR 12 N -2.78 0.13 0.00 1.00 5.66 0.63 -4.44 114.28 114.47 2orl n THR 12 Ca -0.01 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 2orl n THR 12 Cb 0.13 0.65 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 0.12 1.26 0.00 1.09 5.12 -0.33 -4.95 116.66 118.97 2orl n ARG 13 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2orl n ARG 13 Cb 0.88 -0.44 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 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 -1.52 0.00 5.85 -0.42 -1.63 115.31 118.30 2orl h LEU 15 Ca 0.00 0.07 0.45 0.00 0.84 0.00 0.00 57.88 59.24 2orl h LEU 15 Cb 0.55 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 2orl h LEU 15 CO 0.00 0.29 0.94 0.06 -0.34 0.00 0.00 178.44 179.39 2orl h GLN 16 N 0.72 0.06 0.00 1.25 3.07 -1.85 -3.19 115.11 115.17 2orl h GLN 16 Ca 0.53 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.27 2orl h GLN 16 Cb 0.88 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.43 2orl h GLN 16 CO -0.30 0.04 -0.71 0.00 0.09 0.00 0.00 178.83 177.95 2orl s HIS 18 N -1.71 1.79 -0.05 0.00 3.76 -0.64 -1.47 115.29 116.98 2orl s HIS 18 Ca 0.00 -0.54 -0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2orl s HIS 18 Cb 0.00 -2.42 0.03 0.00 1.11 0.00 0.00 32.58 31.30 2orl s HIS 18 CO 0.00 -1.10 -0.00 0.95 -0.85 0.00 0.00 174.74 173.74 2orl s THR 19 N -2.70 0.28 -0.17 1.30 -4.23 -1.26 -4.49 115.64 104.37 2orl s THR 19 Ca 0.61 0.10 0.20 0.00 -1.18 0.00 0.00 61.69 61.42 2orl s THR 19 Cb -0.07 -0.40 0.20 0.00 1.34 0.00 0.00 72.50 73.57 2orl s THR 19 CO 0.39 0.20 1.60 1.62 -0.54 0.00 0.00 174.62 177.89 2orl h VAL 20 N 6.27 0.50 -5.18 2.29 3.04 -1.96 -2.94 116.25 118.26 2orl h VAL 20 Ca -0.30 -1.55 -0.50 0.00 -1.01 0.00 0.00 66.70 63.34 2orl h VAL 20 Cb 1.13 2.12 -0.07 0.00 -2.01 0.00 0.00 31.29 32.46 2orl h VAL 20 CO 0.36 0.26 -0.31 -1.84 -1.01 0.00 0.00 177.57 175.04 2orl n GLU 21 N -3.21 0.91 -0.97 4.17 -0.00 -1.26 -4.12 120.64 116.16 2orl n GLU 21 Ca 0.02 -2.91 -0.06 0.00 -0.00 0.00 0.00 57.16 54.21 2orl n GLU 21 Cb 0.59 0.56 0.28 0.00 -0.00 0.00 0.00 31.44 32.87 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 -1.29 3.35 -0.03 3.44 5.02 -1.26 -4.43 118.16 122.96 2orl n LYS 22 Ca -0.10 -3.08 0.06 0.00 -2.02 0.00 0.00 58.31 53.18 2orl n LYS 22 Cb 0.52 -2.14 -0.15 0.00 -0.02 0.00 0.00 35.03 33.23 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 -0.37 -0.92 3.70 0.72 0.00 -1.26 -4.94 105.19 102.12 2orl n GLY 23 Ca 0.40 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.53 2.40 0.69 -0.02 0.00 -1.26 -5.06 107.32 99.53 2orl s GLY 24 Ca -0.08 -0.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.41 2orl s GLY 24 CO 0.82 1.11 1.23 2.56 0.00 0.00 0.00 173.10 178.82 2orl s PRO 25 N 1.07 2.37 -0.18 2.90 0.04 -1.26 -4.87 135.00 135.07 2orl s PRO 25 Ca 0.32 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 2orl s PRO 25 Cb -0.16 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2orl s PRO 25 CO 0.14 -1.68 2.17 0.72 0.04 0.00 0.00 177.00 178.39 2orl n HIS 26 N -2.33 2.03 0.00 0.56 8.25 -1.26 -4.90 115.22 117.57 2orl n HIS 26 Ca 0.14 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2orl n HIS 26 Cb 0.50 -2.72 0.00 0.00 1.12 0.00 0.00 29.99 28.88 2orl n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2orl n LYS 27 N 8.47 1.93 0.31 -0.41 5.02 -1.23 -4.86 118.16 127.37 2orl n LYS 27 Ca 0.29 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.77 2orl n LYS 27 Cb 0.42 0.00 0.98 0.00 -0.02 0.00 0.00 35.03 36.41 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 0.20 -3.56 -0.18 2.07 -1.82 -3.43 116.25 109.52 2orl h VAL 28 Ca 0.00 -0.21 -0.46 0.00 0.82 0.00 0.00 66.70 66.84 2orl h VAL 28 Cb 0.00 1.17 -0.19 0.00 -1.52 0.00 0.00 31.29 30.75 2orl h VAL 28 CO 0.00 0.03 -0.78 -0.83 0.02 0.00 0.00 177.57 176.01 2orl s GLY 29 N -4.16 1.18 0.98 2.17 0.00 -0.54 -4.99 107.32 101.95 2orl s GLY 29 Ca -0.03 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 43.24 2orl s GLY 29 CO 0.49 -1.37 1.09 2.56 0.00 0.00 0.00 173.10 175.87 2orl s PRO 30 N -2.55 0.58 0.00 2.90 0.04 -1.26 -4.40 135.00 130.30 2orl s PRO 30 Ca 0.10 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 2orl s PRO 30 Cb -0.06 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2orl s PRO 30 CO 0.04 -2.64 1.14 1.21 0.04 0.00 0.00 177.00 176.79 2orl s ASN 31 N -3.46 7.14 0.01 6.66 3.84 -1.26 -4.23 114.94 123.64 2orl s ASN 31 Ca 0.65 1.85 0.24 0.00 0.21 0.00 0.00 52.86 55.81 2orl s ASN 31 Cb -0.18 -2.57 0.25 0.00 -0.55 0.00 0.00 41.25 38.20 2orl s ASN 31 CO 0.57 -0.46 1.23 0.18 -2.79 0.00 0.00 177.10 175.84 2orl n LEU 32 N 4.38 0.66 -4.55 3.21 4.77 -1.11 -4.82 117.00 119.53 2orl n LEU 32 Ca 0.09 -0.15 -0.32 0.00 -0.03 0.00 0.00 56.01 55.60 2orl n LEU 32 Cb 0.47 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2orl n LEU 32 CO 0.54 0.15 1.53 -2.28 -1.33 0.00 0.00 177.39 176.01 2orl s HIS 33 N -3.02 1.60 0.00 -1.77 2.46 -1.26 -2.61 115.29 110.69 2orl s HIS 33 Ca 0.10 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.55 2orl s HIS 33 Cb 0.17 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.66 2orl s HIS 33 CO 0.76 -2.07 0.00 0.41 -2.47 0.00 0.00 174.74 171.37 2orl n GLY 34 N 6.24 1.54 0.12 1.59 0.00 -1.26 -4.93 105.19 108.48 2orl n GLY 34 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 1.52 -1.95 -0.61 3.07 -1.84 -3.43 117.51 114.27 2orl h ILE 35 Ca 0.00 -2.77 -0.57 0.00 1.55 0.00 0.00 64.86 63.07 2orl h ILE 35 Cb 0.00 2.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 2orl h ILE 35 CO 0.00 0.81 1.51 -0.36 -1.05 0.00 0.00 178.15 179.06 2orl s PHE 36 N -3.07 1.16 0.00 0.16 0.08 -1.26 -1.20 117.98 113.85 2orl s PHE 36 Ca -0.03 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.74 2orl s PHE 36 Cb 0.10 -3.87 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 2orl s PHE 36 CO 0.84 -3.79 0.00 0.41 -0.10 0.00 0.00 175.22 172.58 2orl n GLY 37 N 5.80 0.73 3.85 4.36 0.00 -0.75 -5.05 105.19 114.12 2orl n GLY 37 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.52 2.28 0.44 1.61 0.52 -0.34 -4.91 118.95 118.02 2orl s ARG 38 Ca 0.00 -1.95 0.04 0.00 -0.52 0.00 0.00 55.73 53.30 2orl s ARG 38 Cb 0.00 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.42 2orl s ARG 38 CO 0.00 -0.43 0.62 -1.01 0.02 0.00 0.00 175.30 174.50 2orl s HIS 39 N -2.70 3.02 0.42 -0.53 3.76 -1.26 -1.34 115.29 116.67 2orl s HIS 39 Ca 0.35 -0.08 -0.25 0.00 -0.15 0.00 0.00 55.06 54.94 2orl s HIS 39 Cb -0.01 -2.34 -0.08 0.00 1.11 0.00 0.00 32.58 31.26 2orl s HIS 39 CO 0.21 -0.40 1.21 -1.12 -0.85 0.00 0.00 174.74 173.79 2orl s SER 40 N -4.28 6.32 -0.24 1.40 0.01 -0.09 -3.94 113.70 112.87 2orl s SER 40 Ca 0.51 2.44 -0.02 0.00 1.31 0.00 0.00 55.95 60.19 2orl s SER 40 Cb -0.10 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2orl s SER 40 CO 0.35 -0.83 0.21 0.61 0.41 0.00 0.00 173.24 174.00 2orl n GLY 41 N 0.61 0.67 0.11 3.44 0.00 -1.26 -4.22 105.19 104.54 2orl n GLY 41 Ca 0.05 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.33 1.25 -1.71 1.61 6.02 -1.25 -4.88 117.38 117.09 2orl n GLN 42 Ca -0.00 -2.56 -0.43 0.00 -0.01 0.00 0.00 57.00 54.00 2orl n GLN 42 Cb 0.51 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.38 1.87 -1.95 -1.58 0.00 -1.26 -4.89 120.51 111.32 2orl n ALA 43 Ca 0.16 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.58 2orl n ALA 43 Cb 0.64 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 2orl n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2orl n GLU 44 N 2.18 2.66 0.00 0.00 4.71 -1.26 -3.41 120.64 125.51 2orl n GLU 44 Ca 0.10 -2.70 0.00 0.00 -0.01 0.00 0.00 57.16 54.56 2orl n GLU 44 Cb 0.34 -3.34 0.00 0.00 -1.01 0.00 0.00 31.44 27.43 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 4.72 1.24 3.06 0.62 0.00 -1.26 -5.05 105.19 108.53 2orl n GLY 45 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.34 -0.11 -0.07 1.61 6.14 -1.22 -4.91 117.35 117.45 2orl s TYR 46 Ca 0.00 0.25 -0.07 0.00 0.64 0.00 0.00 57.07 57.88 2orl s TYR 46 Cb 0.00 0.02 -0.04 0.00 0.42 0.00 0.00 41.96 42.36 2orl s TYR 46 CO 0.00 -0.15 0.20 -1.54 0.64 0.00 0.00 175.55 174.70 2orl s SER 47 N -0.38 6.46 0.29 4.32 1.04 -1.26 -4.53 113.70 119.64 2orl s SER 47 Ca -0.05 0.53 0.07 0.00 0.48 0.00 0.00 55.95 56.99 2orl s SER 47 Cb -0.03 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 2orl s SER 47 CO 0.01 0.36 0.23 -0.31 0.98 0.00 0.00 173.24 174.51 2orl s TYR 48 N -1.11 2.99 0.81 5.02 1.51 -1.26 -5.03 117.35 120.29 2orl s TYR 48 Ca 0.19 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 2orl s TYR 48 Cb -0.13 -1.58 0.08 0.00 -0.11 0.00 0.00 41.96 40.22 2orl s TYR 48 CO 0.09 0.37 1.09 0.95 -1.11 0.00 0.00 175.55 176.94 2orl s THR 49 N -2.23 3.11 0.41 -0.71 -4.23 -1.26 -4.85 115.64 105.88 2orl s THR 49 Ca 0.37 0.36 0.17 0.00 -1.18 0.00 0.00 61.69 61.41 2orl s THR 49 Cb -0.07 -2.81 0.38 0.00 1.34 0.00 0.00 72.50 71.34 2orl s THR 49 CO 0.25 -0.47 1.83 -0.78 -0.54 0.00 0.00 174.62 174.91 2orl h ASP 50 N -1.27 0.43 0.50 3.99 3.58 -1.96 -2.17 116.42 119.53 2orl h ASP 50 Ca -0.45 0.05 -0.30 0.00 0.42 0.00 0.00 57.03 56.76 2orl h ASP 50 Cb 1.24 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2orl h ASP 50 CO 0.51 0.15 -1.51 0.00 -2.88 0.00 0.00 179.24 175.51 2orl h ALA 51 N 1.61 0.35 -0.34 -0.78 0.00 -1.92 -3.28 119.26 114.89 2orl h ALA 51 Ca 0.51 -1.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 2orl h ALA 51 Cb 1.25 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2orl h ALA 51 CO -0.21 1.21 -0.39 -0.97 0.00 0.00 0.00 179.25 178.89 2orl h ASN 52 N 0.05 0.86 0.13 0.00 -0.73 -1.71 -3.00 115.58 111.18 2orl h ASN 52 Ca -0.23 -0.39 -0.01 0.00 1.87 0.00 0.00 56.30 57.55 2orl h ASN 52 Cb 1.99 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.34 2orl h ASN 52 CO 0.15 1.14 -0.06 0.40 -0.37 0.00 0.00 177.43 178.69 2orl h ILE 53 N 0.66 0.00 -0.28 2.57 2.04 -1.66 -2.81 117.51 118.04 2orl h ILE 53 Ca 0.06 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2orl h ILE 53 Cb 0.95 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2orl h ILE 53 CO 0.09 0.00 0.95 0.29 0.00 0.00 0.00 178.15 179.48 2orl n LYS 54 N -2.61 0.02 0.10 2.37 5.02 -1.24 -1.02 118.16 120.81 2orl n LYS 54 Ca -0.02 0.86 -0.19 0.00 -2.02 0.00 0.00 58.31 56.94 2orl n LYS 54 Cb 0.07 -2.27 -0.15 0.00 -0.02 0.00 0.00 35.03 32.66 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 0.34 -5.88 1.97 1.63 -1.34 -3.48 116.57 109.81 2orl h LYS 55 Ca 0.13 -0.59 -0.23 0.00 -0.85 0.00 0.00 60.65 59.11 2orl h LYS 55 Cb 2.03 0.22 -0.07 0.00 -0.60 0.00 0.00 32.23 33.80 2orl h LYS 55 CO -0.00 1.26 -0.37 0.09 -3.45 0.00 0.00 179.45 176.98 2orl n ASN 56 N -3.56 0.25 -4.75 4.20 3.02 -0.19 -4.87 115.26 109.36 2orl n ASN 56 Ca -0.13 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.52 2orl n ASN 56 Cb 1.05 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -3.58 3.14 -0.72 2.41 0.11 -1.26 -4.18 120.40 116.31 2orl s VAL 57 Ca 0.01 1.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.82 2orl s VAL 57 Cb -0.01 -3.65 0.04 0.00 -1.53 0.00 0.00 36.38 31.23 2orl s VAL 57 CO 0.38 0.19 1.21 -0.22 -3.33 0.00 0.00 175.10 173.33 2orl s LEU 58 N -0.80 3.45 -0.16 2.54 2.96 -1.26 -0.91 118.68 124.49 2orl s LEU 58 Ca 0.52 -0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 2orl s LEU 58 Cb -0.36 -2.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.72 2orl s LEU 58 CO 0.43 -1.74 2.12 0.79 -1.32 0.00 0.00 176.35 176.62 2orl n TRP 59 N 8.98 2.08 -4.33 5.38 5.03 -0.45 -4.89 117.44 129.24 2orl n TRP 59 Ca 0.02 -0.10 -0.15 0.00 3.03 0.00 0.00 57.50 60.29 2orl n TRP 59 Cb 0.48 -2.71 -0.03 0.00 -1.03 0.00 0.00 31.31 28.02 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 9.79 2.22 0.28 -0.99 -0.08 -1.26 -1.82 116.55 124.69 2orl n ASP 60 Ca 0.28 -2.06 -0.15 0.00 -1.51 0.00 0.00 54.79 51.35 2orl n ASP 60 Cb 0.38 0.26 -0.08 0.00 2.34 0.00 0.00 41.12 44.03 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 -0.68 -0.05 -0.67 4.57 -2.02 -2.89 114.58 112.85 2orl h GLU 61 Ca -0.19 0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 2orl h GLU 61 Cb 0.61 0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2orl h GLU 61 CO 0.31 -0.38 -0.33 -0.97 -1.18 0.00 0.00 179.01 176.46 2orl h ASN 62 N -0.90 0.38 -0.83 1.04 -1.24 -1.99 -3.33 115.58 108.72 2orl h ASN 62 Ca -0.07 -0.68 0.20 0.00 0.71 0.00 0.00 56.30 56.46 2orl h ASN 62 Cb 0.61 -0.11 -0.13 0.00 0.73 0.00 0.00 38.32 39.42 2orl h ASN 62 CO 0.12 1.00 0.19 -1.13 -1.29 0.00 0.00 177.43 176.32 2orl h ASN 63 N -0.21 -0.04 -1.00 1.15 -0.73 -1.91 -0.19 115.58 112.66 2orl h ASN 63 Ca -0.03 0.18 0.11 0.00 1.87 0.00 0.00 56.30 58.44 2orl h ASN 63 Cb 1.00 0.25 -0.08 0.00 0.27 0.00 0.00 38.32 39.77 2orl h ASN 63 CO 0.07 -0.12 0.63 -0.03 -0.37 0.00 0.00 177.43 177.61 2orl h MET 64 N 0.22 0.97 -0.62 6.67 4.05 -1.61 -1.68 114.93 122.92 2orl h MET 64 Ca 0.49 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.82 2orl h MET 64 Cb 0.94 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.49 2orl h MET 64 CO -0.61 0.64 0.26 0.77 0.23 0.00 0.00 176.91 178.20 2orl h SER 65 N 1.00 0.82 -0.47 1.39 0.02 -1.19 -0.72 113.55 114.40 2orl h SER 65 Ca 0.49 -0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.41 2orl h SER 65 Cb 0.46 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 2orl h SER 65 CO -0.26 0.73 0.11 -0.33 -1.14 0.00 0.00 176.83 175.94 2orl h GLU 66 N 0.89 0.24 -0.05 3.45 5.08 -1.12 -2.46 114.58 120.61 2orl h GLU 66 Ca 0.21 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.35 2orl h GLU 66 Cb 0.16 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2orl h GLU 66 CO -0.02 0.16 -0.78 -0.92 -1.00 0.00 0.00 179.01 176.45 2orl h TYR 67 N 0.25 0.88 -0.92 4.33 3.20 -1.40 -3.33 116.97 119.97 2orl h TYR 67 Ca 0.23 -0.44 0.02 0.00 3.14 0.00 0.00 58.73 61.69 2orl h TYR 67 Cb 0.30 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2orl h TYR 67 CO -0.21 1.26 0.61 -0.07 -1.64 0.00 0.00 178.16 178.11 2orl h LEU 68 N 0.25 1.02 -1.16 2.82 3.38 -0.91 -1.46 115.31 119.24 2orl h LEU 68 Ca -0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2orl h LEU 68 Cb 1.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2orl h LEU 68 CO 0.16 0.72 0.25 0.74 0.09 0.00 0.00 178.44 180.39 2orl h THR 69 N 1.19 1.20 -1.13 0.22 2.02 -1.55 -2.15 112.91 112.70 2orl h THR 69 Ca 0.35 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 2orl h THR 69 Cb -0.05 0.49 -0.21 0.00 -1.74 0.00 0.00 68.15 66.64 2orl h THR 69 CO -0.09 0.25 -0.49 0.21 0.37 0.00 0.00 175.52 175.77 2orl s ASN 70 N -6.53 -1.16 0.26 4.18 3.84 -1.02 -4.40 114.94 110.12 2orl s ASN 70 Ca -0.10 -0.96 -0.04 0.00 0.21 0.00 0.00 52.86 51.97 2orl s ASN 70 Cb 0.16 1.77 0.31 0.00 -0.55 0.00 0.00 41.25 42.94 2orl s ASN 70 CO 0.79 -0.17 1.88 1.55 -2.79 0.00 0.00 177.10 178.35 2orl h PRO 71 N 6.88 1.14 -0.30 0.43 0.13 -1.50 -1.96 132.00 136.81 2orl h PRO 71 Ca 0.05 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 2orl h PRO 71 Cb 1.16 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2orl h PRO 71 CO 0.11 0.84 -0.16 0.87 -0.23 0.00 0.00 178.00 179.43 2orl h LYS 72 N 1.14 0.53 0.12 0.86 6.56 -1.82 -0.57 116.57 123.39 2orl h LYS 72 Ca 0.29 -0.17 -0.26 0.00 -1.06 0.00 0.00 60.65 59.45 2orl h LYS 72 Cb 0.03 -0.05 0.03 0.00 -0.57 0.00 0.00 32.23 31.67 2orl h LYS 72 CO -0.05 0.67 -1.09 -0.22 -2.06 0.00 0.00 179.45 176.71 2orl h LYS 73 N 0.48 0.52 -0.35 3.15 1.63 -1.88 -3.18 116.57 116.95 2orl h LYS 73 Ca 0.08 -0.73 -0.15 0.00 -0.85 0.00 0.00 60.65 59.00 2orl h LYS 73 Cb 0.56 0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2orl h LYS 73 CO 0.04 1.32 -0.38 -0.92 -3.45 0.00 0.00 179.45 176.06 2orl h TYR 74 N 0.08 1.05 -3.18 1.91 3.20 -1.34 -3.40 116.97 115.30 2orl h TYR 74 Ca -0.17 -0.33 -0.61 0.00 3.14 0.00 0.00 58.73 60.76 2orl h TYR 74 Cb 1.80 -0.22 -0.40 0.00 1.54 0.00 0.00 36.73 39.45 2orl h TYR 74 CO 0.14 1.14 -0.73 0.42 -1.64 0.00 0.00 178.16 177.48 2orl s ILE 75 N -4.35 1.42 0.11 1.81 1.01 -0.23 -5.11 121.20 115.87 2orl s ILE 75 Ca -0.11 -2.16 -0.31 0.00 0.00 0.00 0.00 60.65 58.07 2orl s ILE 75 Cb 0.10 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.46 2orl s ILE 75 CO 0.87 -0.77 1.46 -2.16 0.00 0.00 0.00 174.94 174.34 2orl s PRO 76 N 0.85 4.28 0.00 2.79 0.04 -1.20 -2.93 135.00 138.83 2orl s PRO 76 Ca 0.14 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2orl s PRO 76 Cb -0.21 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2orl s PRO 76 CO -0.10 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2orl n GLY 77 N 3.63 1.47 3.66 0.56 0.00 -1.26 -4.68 105.19 108.56 2orl n GLY 77 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2orl n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2orl n THR 78 N -2.00 3.04 0.31 2.61 5.66 -1.15 -4.92 114.28 117.83 2orl n THR 78 Ca 0.00 -0.50 0.16 0.00 -3.05 0.00 0.00 64.05 60.66 2orl n THR 78 Cb 0.00 -1.37 0.68 0.00 -1.55 0.00 0.00 70.33 68.10 2orl n THR 78 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2orl h LYS 79 N 1.42 0.00 -5.95 1.09 1.57 -1.96 -3.42 116.57 109.32 2orl h LYS 79 Ca -0.48 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.86 2orl h LYS 79 Cb 1.33 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 2orl h LYS 79 CO 0.56 0.00 1.10 1.41 -0.57 0.00 0.00 179.45 181.96 2orl s MET 80 N -3.61 2.80 -0.20 3.15 1.75 -1.26 -4.82 119.30 117.11 2orl s MET 80 Ca 0.01 -0.06 0.10 0.00 -1.25 0.00 0.00 55.69 54.49 2orl s MET 80 Cb 0.09 -4.74 0.62 0.00 2.84 0.00 0.00 34.83 33.64 2orl s MET 80 CO 0.47 -2.83 1.48 0.00 -0.65 0.00 0.00 175.02 173.48 2orl n ALA 81 N 12.27 3.69 0.20 4.11 0.00 -1.26 -4.56 120.51 134.95 2orl n ALA 81 Ca 0.27 -1.53 0.10 0.00 0.00 0.00 0.00 53.44 52.28 2orl n ALA 81 Cb 0.50 -1.12 0.50 0.00 0.00 0.00 0.00 19.45 19.32 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 0.36 0.65 0.00 0.00 7.35 -1.26 -4.91 117.46 119.65 2orl n PHE 82 Ca 0.23 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.24 2orl n PHE 82 Cb 1.02 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.84 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 -1.05 1.85 0.07 7.13 0.00 -1.26 -4.82 105.19 107.10 2orl n GLY 83 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.48 3.55 -0.02 0.00 -1.26 -4.66 105.19 103.27 2orl n GLY 84 Ca 0.00 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2orl n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2orl s LEU 85 N -0.06 3.26 0.59 0.99 1.43 -0.81 -4.82 118.68 119.26 2orl s LEU 85 Ca 0.00 -0.32 0.39 0.00 -1.03 0.00 0.00 54.13 53.17 2orl s LEU 85 Cb 0.00 -2.55 1.88 0.00 0.03 0.00 0.00 46.19 45.55 2orl s LEU 85 CO 0.00 -2.18 2.16 0.11 0.23 0.00 0.00 176.35 176.67 2orl h LYS 86 N 12.17 0.00 -6.45 1.70 1.79 -1.84 -3.39 116.57 120.56 2orl h LYS 86 Ca -0.14 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.76 2orl h LYS 86 Cb 1.08 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.66 2orl h LYS 86 CO 1.26 0.00 0.83 0.15 -1.08 0.00 0.00 179.45 180.61 2orl s LYS 87 N -3.89 3.85 0.11 3.15 1.02 -1.26 -4.97 119.74 117.75 2orl s LYS 87 Ca -0.02 0.72 -0.22 0.00 0.02 0.00 0.00 55.97 56.47 2orl s LYS 87 Cb 0.11 -3.84 -0.09 0.00 -0.52 0.00 0.00 37.83 33.50 2orl s LYS 87 CO 0.46 -1.15 1.72 1.49 -0.92 0.00 0.00 175.35 176.96 2orl h GLU 88 N 8.72 -0.03 -0.93 1.68 4.57 -1.97 -2.81 114.58 123.80 2orl h GLU 88 Ca -0.22 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.01 2orl h GLU 88 Cb 1.06 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.60 2orl h GLU 88 CO 1.07 -0.02 0.60 0.87 -1.18 0.00 0.00 179.01 180.34 2orl h LYS 89 N -0.03 1.08 -0.56 1.92 1.79 -1.93 -1.51 116.57 117.32 2orl h LYS 89 Ca 0.05 -0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2orl h LYS 89 Cb 0.11 -0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 30.46 2orl h LYS 89 CO -0.11 0.72 0.29 -0.44 -1.08 0.00 0.00 179.45 178.83 2orl h ASP 90 N 1.11 0.41 0.18 0.86 5.19 -1.94 -2.53 116.42 119.71 2orl h ASP 90 Ca 0.39 0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.66 2orl h ASP 90 Cb 0.11 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 2orl h ASP 90 CO -0.15 0.28 -0.67 0.03 -3.12 0.00 0.00 179.24 175.60 2orl h ARG 91 N 0.55 0.45 -0.68 3.56 3.08 -1.15 -3.22 114.38 116.97 2orl h ARG 91 Ca 0.25 -0.34 0.08 0.00 0.07 0.00 0.00 59.98 60.05 2orl h ARG 91 Cb 0.16 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.17 2orl h ARG 91 CO -0.17 0.96 -0.51 -0.91 -1.07 0.00 0.00 179.97 178.27 2orl h ASN 92 N 0.32 -1.77 -0.48 7.04 4.21 -0.84 -0.07 115.58 123.99 2orl h ASN 92 Ca -0.02 0.27 -0.07 0.00 1.21 0.00 0.00 56.30 57.69 2orl h ASN 92 Cb 1.23 0.78 -0.02 0.00 -1.12 0.00 0.00 38.32 39.19 2orl h ASN 92 CO 0.12 -0.32 0.05 -0.78 -1.29 0.00 0.00 177.43 175.20 2orl h ASP 93 N -0.20 0.84 -0.92 5.81 1.82 -1.67 -3.03 116.42 119.08 2orl h ASP 93 Ca 0.16 -0.19 0.09 0.00 -0.39 0.00 0.00 57.03 56.69 2orl h ASP 93 Cb 0.54 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.25 2orl h ASP 93 CO -0.76 0.87 0.57 -0.07 -1.61 0.00 0.00 179.24 178.25 2orl h LEU 94 N 0.82 0.87 0.08 2.28 3.38 -1.12 -2.47 115.31 119.15 2orl h LEU 94 Ca 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2orl h LEU 94 Cb 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2orl h LEU 94 CO 0.01 0.52 -0.04 0.40 0.09 0.00 0.00 178.44 179.42 2orl h ILE 95 N 0.98 0.99 -0.69 1.22 2.04 -0.96 -2.38 117.51 118.71 2orl h ILE 95 Ca 0.43 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 66.14 2orl h ILE 95 Cb 0.30 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 2orl h ILE 95 CO -0.22 0.06 0.28 0.74 0.00 0.00 0.00 178.15 179.02 2orl h THR 96 N -0.23 0.74 0.50 -0.27 2.02 -1.49 0.40 112.91 114.58 2orl h THR 96 Ca -0.01 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2orl h THR 96 Cb 0.19 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2orl h THR 96 CO 0.02 0.08 -0.24 0.22 0.37 0.00 0.00 175.52 175.97 2orl h TYR 97 N 0.46 -0.62 -0.40 3.16 3.20 -1.27 0.64 116.97 122.15 2orl h TYR 97 Ca 0.36 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2orl h TYR 97 Cb 0.47 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2orl h TYR 97 CO -0.16 -0.37 0.23 1.25 -1.64 0.00 0.00 178.16 177.47 2orl h LEU 98 N -0.70 0.49 -0.94 2.82 7.12 -1.09 -2.51 115.31 120.50 2orl h LEU 98 Ca -0.07 -0.07 0.09 0.00 0.13 0.00 0.00 57.88 57.96 2orl h LEU 98 Cb 0.53 -0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 40.46 2orl h LEU 98 CO 0.11 0.42 0.58 0.50 -0.13 0.00 0.00 178.44 179.92 2orl h LYS 99 N 0.51 0.96 0.00 1.25 3.64 -0.16 -1.18 116.57 121.59 2orl h LYS 99 Ca 0.14 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2orl h LYS 99 Cb 0.03 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2orl h LYS 99 CO -0.02 0.64 -0.52 -0.22 -2.27 0.00 0.00 179.45 177.05 2orl h LYS 100 N 0.99 0.00 0.13 1.90 1.63 -0.49 -1.69 116.57 119.05 2orl h LYS 100 Ca 0.44 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.96 2orl h LYS 100 Cb 0.33 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2orl h LYS 100 CO -0.22 0.52 -1.26 0.00 -3.45 0.00 0.00 179.45 175.03 2orl h ALA 101 N 1.48 0.09 0.22 5.00 0.00 -1.04 -3.35 119.26 121.65 2orl h ALA 101 Ca -0.01 -0.89 -0.34 0.00 0.00 0.00 0.00 54.91 53.68 2orl h ALA 101 Cb 0.94 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.78 2orl h ALA 101 CO 0.07 0.96 -1.56 1.15 0.00 0.00 0.00 179.25 179.87 2orl h THR 102 N 0.08 1.15 0.00 0.00 2.02 -1.21 -3.47 112.91 111.48 2orl h THR 102 Ca -0.14 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.42 2orl h THR 102 Cb 1.98 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 71.33 2orl h THR 102 CO 0.21 0.82 0.00 -1.84 0.37 0.00 0.00 175.52 175.08