#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orl n GLU -4 N 0.00 0.67 -2.47 -2.82 0.00 -1.26 -5.14 120.64 109.62 2orl n GLU -4 Ca 0.00 -2.87 -0.34 0.00 0.00 0.00 0.00 57.16 53.95 2orl n GLU -4 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 31.44 30.10 2orl n GLU -4 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2orl s PHE -3 N -0.62 2.92 -0.25 4.31 5.36 -1.26 -4.79 117.98 123.65 2orl s PHE -3 Ca 0.34 1.57 -0.12 0.00 -0.96 0.00 0.00 56.93 57.76 2orl s PHE -3 Cb 0.17 -3.12 0.09 0.00 -0.34 0.00 0.00 43.02 39.81 2orl s PHE -3 CO -0.15 -1.01 0.58 0.21 -1.46 0.00 0.00 175.22 173.39 2orl s LYS -2 N -3.25 0.56 0.37 10.12 2.20 -1.26 -5.13 119.74 123.35 2orl s LYS -2 Ca 0.69 1.16 -0.25 0.00 -0.36 0.00 0.00 55.97 57.21 2orl s LYS -2 Cb -0.18 0.31 -0.12 0.00 -1.51 0.00 0.00 37.83 36.32 2orl s LYS -2 CO 0.22 -0.18 0.90 0.00 -0.36 0.00 0.00 175.35 175.93 2orl n ALA -1 N 4.72 -0.40 -2.50 3.13 0.00 -1.26 -4.36 120.51 119.85 2orl n ALA -1 Ca -0.17 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2orl n ALA -1 Cb 0.55 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.35 3.55 3.57 0.00 0.00 -1.26 -4.86 105.19 107.53 2orl n GLY 1 Ca 0.10 -1.69 -0.12 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 -0.00 -0.74 0.37 1.61 0.01 -1.26 -5.01 113.70 108.67 2orl s SER 2 Ca 0.00 1.35 0.16 0.00 1.31 0.00 0.00 55.95 58.77 2orl s SER 2 Cb 0.00 1.33 1.06 0.00 0.21 0.00 0.00 66.02 68.62 2orl s SER 2 CO 0.00 -0.23 1.73 0.00 0.41 0.00 0.00 173.24 175.15 2orl h ALA 3 N 5.67 2.11 0.00 1.44 0.00 -1.90 -0.03 119.26 126.55 2orl h ALA 3 Ca -0.29 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2orl h ALA 3 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2orl h ALA 3 CO 0.12 -0.57 0.00 1.17 0.00 0.00 0.00 179.25 179.96 2orl n LYS 4 N -4.76 0.88 -0.02 0.00 4.81 -1.26 -2.87 118.16 114.94 2orl n LYS 4 Ca 0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.67 2orl n LYS 4 Cb 0.89 -1.35 -0.02 0.00 0.02 0.00 0.00 35.03 34.57 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 -0.85 0.09 0.21 1.64 5.02 -0.07 -4.62 118.16 119.58 2orl n LYS 5 Ca 0.15 0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.58 2orl n LYS 5 Cb 0.07 -0.69 0.66 0.00 -0.02 0.00 0.00 35.03 35.05 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 -0.12 0.00 0.98 0.72 0.00 -1.53 -2.81 103.07 100.31 2orl h GLY 6 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2orl h GLY 6 CO -0.06 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.59 2orl h ALA 7 N 1.95 0.22 -0.86 3.60 0.00 -1.78 -2.66 119.26 119.73 2orl h ALA 7 Ca 0.05 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2orl h ALA 7 Cb 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2orl h ALA 7 CO -0.00 -0.28 0.56 1.79 0.00 0.00 0.00 179.25 181.32 2orl h THR 8 N 0.22 0.78 0.00 0.00 1.35 -1.75 -1.55 112.91 111.95 2orl h THR 8 Ca 0.06 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2orl h THR 8 Cb 0.00 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 2orl h THR 8 CO -0.01 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 2orl n LEU 9 N -4.53 0.90 -0.32 3.87 7.99 -1.02 -3.64 117.00 120.25 2orl n LEU 9 Ca 0.17 0.36 0.31 0.00 -0.01 0.00 0.00 56.01 56.84 2orl n LEU 9 Cb 0.55 -0.02 0.55 0.00 -0.11 0.00 0.00 43.42 44.39 2orl n LEU 9 CO 0.30 -0.02 0.99 0.33 -1.51 0.00 0.00 177.39 177.49 2orl n PHE 10 N -0.56 0.96 0.28 -1.77 -0.00 -1.10 -0.25 117.46 115.03 2orl n PHE 10 Ca 0.00 0.97 0.18 0.00 -0.00 0.00 0.00 57.45 58.60 2orl n PHE 10 Cb 0.00 -1.39 0.96 0.00 -0.00 0.00 0.00 39.48 39.06 2orl n PHE 10 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2orl h LYS 11 N 0.00 0.00 0.00 -4.13 1.63 -1.35 0.45 116.57 113.18 2orl h LYS 11 Ca 0.78 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 60.44 2orl h LYS 11 Cb 2.15 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 33.50 2orl h LYS 11 CO -0.64 0.00 -0.89 -2.37 -3.45 0.00 0.00 179.45 172.11 2orl n THR 12 N -3.58 0.12 0.00 1.00 5.66 0.65 -4.45 114.28 113.68 2orl n THR 12 Ca -0.02 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 60.08 2orl n THR 12 Cb 0.17 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 69.77 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 0.29 3.32 0.00 1.09 5.12 -0.79 -4.97 116.66 120.72 2orl n ARG 13 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2orl n ARG 13 Cb 1.03 -0.48 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 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 0.46 -1.32 0.00 5.85 -0.43 -1.91 115.31 117.96 2orl h LEU 15 Ca 0.00 0.19 0.43 0.00 0.84 0.00 0.00 57.88 59.34 2orl h LEU 15 Cb 0.33 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.36 2orl h LEU 15 CO 0.00 -0.16 0.79 0.06 -0.34 0.00 0.00 178.44 178.79 2orl h GLN 16 N 0.27 0.08 0.00 1.25 3.07 -1.82 -3.20 115.11 114.76 2orl h GLN 16 Ca 0.75 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.48 2orl h GLN 16 Cb 1.83 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 29.37 2orl h GLN 16 CO -0.58 0.05 -0.79 0.00 0.09 0.00 0.00 178.83 177.60 2orl s HIS 18 N -1.79 1.24 -0.09 0.00 3.76 -0.79 -0.88 115.29 116.75 2orl s HIS 18 Ca 0.00 -0.58 -0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2orl s HIS 18 Cb 0.00 -2.59 0.02 0.00 1.11 0.00 0.00 32.58 31.13 2orl s HIS 18 CO 0.00 -1.56 -0.06 0.95 -0.85 0.00 0.00 174.74 173.22 2orl s THR 19 N -2.95 0.80 0.05 1.30 -4.23 -1.25 -4.57 115.64 104.79 2orl s THR 19 Ca 0.65 -0.18 0.12 0.00 -1.18 0.00 0.00 61.69 61.11 2orl s THR 19 Cb -0.05 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.93 2orl s THR 19 CO 0.43 0.32 1.47 1.62 -0.54 0.00 0.00 174.62 177.91 2orl h VAL 20 N 6.18 1.23 -5.21 2.29 3.04 -1.96 -2.48 116.25 119.35 2orl h VAL 20 Ca -0.28 -2.48 -0.58 0.00 -1.01 0.00 0.00 66.70 62.35 2orl h VAL 20 Cb 1.14 2.44 -0.09 0.00 -2.01 0.00 0.00 31.29 32.76 2orl h VAL 20 CO 0.39 0.65 -0.37 -1.84 -1.01 0.00 0.00 177.57 175.38 2orl n GLU 21 N -3.40 0.84 -0.96 4.17 -0.00 -1.26 -3.98 120.64 116.05 2orl n GLU 21 Ca 0.00 -3.29 0.01 0.00 -0.00 0.00 0.00 57.16 53.88 2orl n GLU 21 Cb 0.74 0.71 0.36 0.00 -0.00 0.00 0.00 31.44 33.26 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 -1.32 4.33 -0.05 3.44 5.02 -1.26 -4.38 118.16 123.93 2orl n LYS 22 Ca -0.14 -3.14 0.02 0.00 -2.02 0.00 0.00 58.31 53.04 2orl n LYS 22 Cb 0.58 -2.24 -0.16 0.00 -0.02 0.00 0.00 35.03 33.19 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 0.23 -0.97 3.71 0.72 0.00 -1.26 -4.95 105.19 102.67 2orl n GLY 23 Ca 0.34 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.88 2.77 0.72 -0.02 0.00 -1.26 -5.05 107.32 99.60 2orl s GLY 24 Ca -0.09 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 44.82 2orl s GLY 24 CO 0.85 1.44 1.22 2.56 0.00 0.00 0.00 173.10 179.18 2orl s PRO 25 N 0.90 2.20 0.10 2.90 0.04 -1.26 -4.90 135.00 134.97 2orl s PRO 25 Ca 0.45 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 63.01 2orl s PRO 25 Cb -0.19 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2orl s PRO 25 CO 0.23 -1.80 1.88 -1.01 0.04 0.00 0.00 177.00 176.34 2orl s HIS 26 N -1.87 1.85 0.00 0.56 3.76 -1.26 -4.90 115.29 113.43 2orl s HIS 26 Ca 0.76 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 2orl s HIS 26 Cb -0.31 -4.21 0.00 0.00 1.11 0.00 0.00 32.58 29.17 2orl s HIS 26 CO 0.44 -5.14 0.00 1.17 -0.85 0.00 0.00 174.74 170.36 2orl n LYS 27 N 6.29 3.24 0.30 1.40 4.81 -1.25 -4.93 118.16 128.01 2orl n LYS 27 Ca 0.18 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.81 2orl n LYS 27 Cb 0.39 0.00 1.01 0.00 0.02 0.00 0.00 35.03 36.45 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 0.21 -3.55 3.15 2.07 -1.83 -3.42 116.25 112.88 2orl h VAL 28 Ca 0.00 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.05 2orl h VAL 28 Cb 0.00 0.91 -0.19 0.00 -1.52 0.00 0.00 31.29 30.49 2orl h VAL 28 CO 0.00 0.00 -0.78 -0.83 0.02 0.00 0.00 177.57 175.98 2orl s GLY 29 N -4.05 1.19 1.03 2.17 0.00 -0.05 -4.97 107.32 102.63 2orl s GLY 29 Ca -0.05 -1.33 -0.13 0.00 0.00 0.00 0.00 44.72 43.21 2orl s GLY 29 CO 0.45 -1.38 1.10 2.56 0.00 0.00 0.00 173.10 175.83 2orl s PRO 30 N -2.56 0.17 -0.01 2.90 0.04 -1.26 -4.43 135.00 129.85 2orl s PRO 30 Ca 0.10 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 2orl s PRO 30 Cb -0.06 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2orl s PRO 30 CO 0.04 -2.88 1.15 1.21 0.04 0.00 0.00 177.00 176.56 2orl s ASN 31 N -3.56 7.13 0.11 6.66 3.84 -1.26 -3.95 114.94 123.91 2orl s ASN 31 Ca 0.66 1.84 0.23 0.00 0.21 0.00 0.00 52.86 55.80 2orl s ASN 31 Cb -0.17 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.04 2orl s ASN 31 CO 0.57 -0.48 1.06 0.18 -2.79 0.00 0.00 177.10 175.65 2orl n LEU 32 N 4.52 0.67 -4.56 3.21 4.77 -0.93 -4.86 117.00 119.82 2orl n LEU 32 Ca 0.09 0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 2orl n LEU 32 Cb 0.47 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2orl n LEU 32 CO 0.55 -0.06 1.47 -2.28 -1.33 0.00 0.00 177.39 175.73 2orl s HIS 33 N -3.27 1.29 0.00 -1.77 2.46 -1.25 -1.86 115.29 110.90 2orl s HIS 33 Ca 0.02 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.08 2orl s HIS 33 Cb 0.13 -3.64 0.00 0.00 -0.13 0.00 0.00 32.58 28.93 2orl s HIS 33 CO 0.79 -1.90 0.00 0.41 -2.47 0.00 0.00 174.74 171.57 2orl n GLY 34 N 6.53 1.50 0.28 1.59 0.00 -1.26 -4.92 105.19 108.91 2orl n GLY 34 Ca 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.56 -0.61 3.07 -1.70 -3.41 117.51 114.56 2orl h ILE 35 Ca 0.00 -1.04 -0.61 0.00 1.55 0.00 0.00 64.86 64.76 2orl h ILE 35 Cb 0.00 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 37.37 2orl h ILE 35 CO 0.00 0.38 1.48 0.49 -1.05 0.00 0.00 178.15 179.45 2orl n PHE 36 N -4.30 1.75 0.00 0.16 3.72 -1.26 -0.86 117.46 116.68 2orl n PHE 36 Ca 0.02 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2orl n PHE 36 Cb 0.30 -2.64 0.00 0.00 -0.94 0.00 0.00 39.48 36.20 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 6.12 0.58 3.93 1.37 0.00 0.70 -5.02 105.19 112.87 2orl n GLY 37 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 2orl n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2orl n ARG 38 N -1.57 0.64 -4.05 1.61 1.74 -0.03 -4.87 116.66 110.13 2orl n ARG 38 Ca 0.00 -3.45 -0.22 0.00 -0.77 0.00 0.00 57.85 53.41 2orl n ARG 38 Cb 0.00 0.23 -0.04 0.00 -1.02 0.00 0.00 32.46 31.62 2orl n ARG 38 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2orl s HIS 39 N -2.77 3.01 0.24 -1.55 3.76 -1.25 -0.67 115.29 116.05 2orl s HIS 39 Ca 0.39 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.82 2orl s HIS 39 Cb -0.03 -1.50 -0.10 0.00 1.11 0.00 0.00 32.58 32.06 2orl s HIS 39 CO 0.25 0.43 1.48 -1.12 -0.85 0.00 0.00 174.74 174.93 2orl s SER 40 N -3.87 6.61 0.00 1.40 0.01 -0.25 -3.77 113.70 113.84 2orl s SER 40 Ca 0.35 2.68 0.00 0.00 1.31 0.00 0.00 55.95 60.29 2orl s SER 40 Cb -0.07 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2orl s SER 40 CO 0.25 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2orl n GLY 41 N 2.50 0.93 1.51 3.44 0.00 -1.26 -4.19 105.19 108.12 2orl n GLY 41 Ca 0.08 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.36 2.62 -2.19 1.61 6.02 -1.25 -4.95 117.38 118.89 2orl n GLN 42 Ca 0.00 -3.73 -0.41 0.00 -0.01 0.00 0.00 57.00 52.85 2orl n GLN 42 Cb 0.33 -1.91 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 2orl n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2orl s ALA 43 N -3.34 3.52 -1.11 -1.58 0.00 -1.26 -4.92 121.76 113.07 2orl s ALA 43 Ca 0.44 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.41 2orl s ALA 43 Cb 0.39 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 2orl s ALA 43 CO -0.01 -0.55 2.20 0.39 0.00 0.00 0.00 175.76 177.78 2orl n GLU 44 N 2.06 2.31 0.00 0.00 4.71 -1.26 -3.37 120.64 125.09 2orl n GLU 44 Ca 0.04 -2.00 0.00 0.00 -0.01 0.00 0.00 57.16 55.20 2orl n GLU 44 Cb 0.42 -2.88 0.00 0.00 -1.01 0.00 0.00 31.44 27.97 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 4.09 1.90 3.04 0.62 0.00 -1.26 -5.05 105.19 108.53 2orl n GLY 45 Ca 0.53 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.98 0.86 0.12 1.61 6.14 -1.22 -5.02 117.35 117.86 2orl s TYR 46 Ca 0.00 -0.21 -0.11 0.00 0.64 0.00 0.00 57.07 57.40 2orl s TYR 46 Cb 0.00 -0.54 -0.06 0.00 0.42 0.00 0.00 41.96 41.78 2orl s TYR 46 CO 0.00 -0.01 0.45 -1.12 0.64 0.00 0.00 175.55 175.51 2orl s SER 47 N -0.45 6.67 0.32 4.32 0.01 -1.26 -4.45 113.70 118.87 2orl s SER 47 Ca 0.02 0.86 0.09 0.00 1.31 0.00 0.00 55.95 58.24 2orl s SER 47 Cb -0.05 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2orl s SER 47 CO -0.00 0.12 0.02 -0.31 0.41 0.00 0.00 173.24 173.48 2orl s TYR 48 N -1.49 2.59 0.67 2.43 2.02 -1.26 -5.01 117.35 117.30 2orl s TYR 48 Ca 0.37 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.56 2orl s TYR 48 Cb -0.14 -1.43 -0.00 0.00 -0.40 0.00 0.00 41.96 39.99 2orl s TYR 48 CO 0.19 0.49 1.07 0.95 -1.57 0.00 0.00 175.55 176.68 2orl s THR 49 N -2.46 3.82 0.41 -0.71 -4.23 -1.26 -4.90 115.64 106.30 2orl s THR 49 Ca 0.34 0.69 0.19 0.00 -1.18 0.00 0.00 61.69 61.74 2orl s THR 49 Cb -0.02 -3.31 0.40 0.00 1.34 0.00 0.00 72.50 70.91 2orl s THR 49 CO 0.20 -0.67 1.79 -0.78 -0.54 0.00 0.00 174.62 174.62 2orl h ASP 50 N -0.34 0.41 0.56 3.99 1.82 -1.97 -1.81 116.42 119.09 2orl h ASP 50 Ca -0.45 0.07 -0.29 0.00 -0.39 0.00 0.00 57.03 55.97 2orl h ASP 50 Cb 1.22 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2orl h ASP 50 CO 0.56 0.10 -1.45 0.00 -1.61 0.00 0.00 179.24 176.84 2orl h ALA 51 N 1.60 0.35 -0.32 -0.78 0.00 -1.93 -3.28 119.26 114.91 2orl h ALA 51 Ca 0.56 -1.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 2orl h ALA 51 Cb 1.46 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2orl h ALA 51 CO -0.25 1.22 -0.31 -0.97 0.00 0.00 0.00 179.25 178.94 2orl h ASN 52 N 0.05 0.70 0.26 0.00 -0.73 -1.71 -2.95 115.58 111.20 2orl h ASN 52 Ca -0.20 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 57.67 2orl h ASN 52 Cb 1.97 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 40.37 2orl h ASN 52 CO 0.15 0.97 -0.13 0.40 -0.37 0.00 0.00 177.43 178.45 2orl h ILE 53 N 0.58 0.00 -0.13 2.57 2.04 -1.65 -2.76 117.51 118.16 2orl h ILE 53 Ca 0.07 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2orl h ILE 53 Cb 0.82 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2orl h ILE 53 CO 0.07 0.00 1.02 0.29 0.00 0.00 0.00 178.15 179.53 2orl n LYS 54 N -3.27 0.03 0.12 2.37 5.02 -1.24 -1.36 118.16 119.83 2orl n LYS 54 Ca -0.04 0.95 -0.19 0.00 -2.02 0.00 0.00 58.31 57.01 2orl n LYS 54 Cb 0.14 -2.55 -0.15 0.00 -0.02 0.00 0.00 35.03 32.45 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 -5.63 1.97 1.63 -1.30 -3.48 116.57 110.13 2orl h LYS 55 Ca 0.06 -0.63 -0.24 0.00 -0.85 0.00 0.00 60.65 58.99 2orl h LYS 55 Cb 2.11 0.24 -0.09 0.00 -0.60 0.00 0.00 32.23 33.88 2orl h LYS 55 CO -0.00 1.30 -0.37 0.09 -3.45 0.00 0.00 179.45 177.01 2orl n ASN 56 N -3.59 0.21 -4.76 4.20 3.02 -0.46 -4.87 115.26 108.99 2orl n ASN 56 Ca -0.12 -0.49 -0.41 0.00 -0.03 0.00 0.00 54.58 53.53 2orl n ASN 56 Cb 1.06 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 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 -3.28 2.91 -0.71 2.41 0.11 -1.26 -4.32 120.40 116.25 2orl s VAL 57 Ca 0.05 0.89 -0.24 0.00 -2.93 0.00 0.00 61.98 59.75 2orl s VAL 57 Cb -0.03 -3.57 0.06 0.00 -1.53 0.00 0.00 36.38 31.31 2orl s VAL 57 CO 0.39 0.20 1.09 -0.22 -3.33 0.00 0.00 175.10 173.23 2orl s LEU 58 N -1.51 4.01 -0.24 2.54 2.96 -1.26 -1.09 118.68 124.09 2orl s LEU 58 Ca 0.49 -0.89 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 2orl s LEU 58 Cb -0.38 -2.47 -0.07 0.00 0.50 0.00 0.00 46.19 43.77 2orl s LEU 58 CO 0.49 -1.55 2.20 0.79 -1.32 0.00 0.00 176.35 176.96 2orl n TRP 59 N 8.21 1.91 -4.29 5.38 5.03 0.16 -4.85 117.44 128.98 2orl n TRP 59 Ca 0.01 -0.03 -0.13 0.00 3.03 0.00 0.00 57.50 60.37 2orl n TRP 59 Cb 0.47 -2.68 -0.03 0.00 -1.03 0.00 0.00 31.31 28.04 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 10.93 2.07 0.14 -0.99 2.03 -1.26 -0.21 116.55 129.26 2orl n ASP 60 Ca 0.32 -1.97 -0.14 0.00 0.52 0.00 0.00 54.79 53.53 2orl n ASP 60 Cb 0.39 0.26 -0.08 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.34 0.04 -0.67 4.57 -2.01 -2.78 114.58 113.38 2orl h GLU 61 Ca -0.17 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 2orl h GLU 61 Cb 0.55 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2orl h GLU 61 CO 0.28 -0.06 -0.32 -0.97 -1.18 0.00 0.00 179.01 176.75 2orl h ASN 62 N -0.60 0.22 -0.66 1.04 -1.24 -1.98 -3.37 115.58 108.99 2orl h ASN 62 Ca -0.04 -0.89 0.13 0.00 0.71 0.00 0.00 56.30 56.21 2orl h ASN 62 Cb 0.43 -0.07 -0.10 0.00 0.73 0.00 0.00 38.32 39.32 2orl h ASN 62 CO 0.06 1.09 0.15 -1.13 -1.29 0.00 0.00 177.43 176.32 2orl h ASN 63 N -0.62 0.02 -0.97 1.15 -0.73 -1.90 -1.28 115.58 111.25 2orl h ASN 63 Ca -0.05 0.13 0.21 0.00 1.87 0.00 0.00 56.30 58.46 2orl h ASN 63 Cb 1.18 0.17 -0.09 0.00 0.27 0.00 0.00 38.32 39.85 2orl h ASN 63 CO 0.06 -0.00 0.62 -0.03 -0.37 0.00 0.00 177.43 177.71 2orl h MET 64 N 0.28 0.51 -0.33 6.67 4.05 -1.64 -0.98 114.93 123.47 2orl h MET 64 Ca 0.36 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.61 2orl h MET 64 Cb 0.56 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2orl h MET 64 CO -0.45 0.33 -0.37 0.77 0.23 0.00 0.00 176.91 177.43 2orl h SER 65 N 0.52 0.82 -0.97 1.39 0.02 -1.41 0.32 113.55 114.24 2orl h SER 65 Ca 0.54 -0.36 0.19 0.00 -0.84 0.00 0.00 61.79 61.32 2orl h SER 65 Cb 1.17 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.39 2orl h SER 65 CO -0.27 1.10 0.61 1.05 -1.14 0.00 0.00 176.83 178.18 2orl h GLU 66 N 0.64 0.60 0.08 3.45 4.11 -1.06 -1.83 114.58 120.57 2orl h GLU 66 Ca 0.06 -0.04 -0.32 0.00 0.07 0.00 0.00 59.36 59.13 2orl h GLU 66 Cb 0.92 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2orl h GLU 66 CO 0.08 0.40 -1.78 0.98 0.07 0.00 0.00 179.01 178.76 2orl n TYR 67 N -4.64 1.13 -0.31 2.06 9.36 -1.17 -4.37 117.16 119.22 2orl n TYR 67 Ca 0.21 0.31 0.07 0.00 3.32 0.00 0.00 57.90 61.82 2orl n TYR 67 Cb 0.62 -1.14 0.28 0.00 -0.63 0.00 0.00 39.34 38.48 2orl n TYR 67 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2orl h LEU 68 N -0.31 0.84 -2.31 2.98 3.38 -0.58 -1.46 115.31 117.83 2orl h LEU 68 Ca -0.41 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.60 2orl h LEU 68 Cb 1.78 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2orl h LEU 68 CO -0.03 0.48 0.04 0.74 0.09 0.00 0.00 178.44 179.76 2orl h THR 69 N 0.92 0.64 -0.54 0.22 2.02 -1.53 -2.62 112.91 112.03 2orl h THR 69 Ca 0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.64 2orl h THR 69 Cb 0.44 0.97 -0.17 0.00 -1.74 0.00 0.00 68.15 67.65 2orl h THR 69 CO -0.20 0.00 -0.26 0.21 0.37 0.00 0.00 175.52 175.64 2orl s ASN 70 N -6.34 -0.81 0.18 4.18 3.84 -0.68 -3.93 114.94 111.37 2orl s ASN 70 Ca -0.05 -0.57 -0.13 0.00 0.21 0.00 0.00 52.86 52.33 2orl s ASN 70 Cb 0.16 1.05 0.08 0.00 -0.55 0.00 0.00 41.25 41.99 2orl s ASN 70 CO 0.58 -0.07 1.79 1.55 -2.79 0.00 0.00 177.10 178.16 2orl h PRO 71 N 5.63 0.83 -0.34 0.43 0.13 -1.51 -2.27 132.00 134.89 2orl h PRO 71 Ca 0.01 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 2orl h PRO 71 Cb 1.19 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2orl h PRO 71 CO -0.02 0.63 -0.10 0.87 -0.23 0.00 0.00 178.00 179.15 2orl h LYS 72 N 0.80 0.58 -0.07 0.86 1.57 -1.83 -1.07 116.57 117.41 2orl h LYS 72 Ca 0.21 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 58.59 2orl h LYS 72 Cb 0.04 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.29 2orl h LYS 72 CO -0.03 0.68 -0.88 -0.22 -0.57 0.00 0.00 179.45 178.42 2orl h LYS 73 N 0.54 0.64 0.09 3.15 1.63 -1.91 -3.33 116.57 117.37 2orl h LYS 73 Ca 0.10 -0.60 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2orl h LYS 73 Cb 0.49 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 2orl h LYS 73 CO 0.03 1.21 -0.04 -0.92 -3.45 0.00 0.00 179.45 176.27 2orl h TYR 74 N 0.40 -0.11 -3.43 1.91 3.20 -1.32 -3.40 116.97 114.22 2orl h TYR 74 Ca -0.08 -0.00 -0.74 0.00 3.14 0.00 0.00 58.73 61.05 2orl h TYR 74 Cb 1.51 0.04 -0.29 0.00 1.54 0.00 0.00 36.73 39.52 2orl h TYR 74 CO 0.08 0.37 -0.28 0.42 -1.64 0.00 0.00 178.16 177.11 2orl s ILE 75 N -3.91 4.47 -0.59 1.81 1.01 -0.42 -5.04 121.20 118.53 2orl s ILE 75 Ca -0.15 -2.13 -0.26 0.00 0.00 0.00 0.00 60.65 58.11 2orl s ILE 75 Cb 0.01 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2orl s ILE 75 CO 0.60 -0.85 2.03 -2.16 0.00 0.00 0.00 174.94 174.55 2orl s PRO 76 N 0.87 2.45 0.00 2.79 0.04 -1.25 -2.23 135.00 137.68 2orl s PRO 76 Ca 0.10 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2orl s PRO 76 Cb -0.22 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.85 2orl s PRO 76 CO -0.03 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.49 2orl n GLY 77 N 5.84 1.34 3.72 0.56 0.00 -1.26 -4.77 105.19 110.62 2orl n GLY 77 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 3.78 0.46 2.61 5.66 -0.94 -4.95 114.28 120.90 2orl n THR 78 Ca 0.00 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.57 2orl n THR 78 Cb 0.00 -1.58 0.21 0.00 -1.55 0.00 0.00 70.33 67.41 2orl n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2orl n LYS 79 N -0.97 2.16 -2.55 1.09 2.85 -1.26 -4.84 118.16 114.63 2orl n LYS 79 Ca 0.11 -1.72 -0.41 0.00 -1.05 0.00 0.00 58.31 55.24 2orl n LYS 79 Cb 0.45 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 2orl n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2orl s MET 80 N -1.40 3.36 -1.18 -1.58 1.75 -1.26 -4.95 119.30 114.04 2orl s MET 80 Ca 0.32 -0.62 -0.14 0.00 -1.25 0.00 0.00 55.69 53.99 2orl s MET 80 Cb 0.17 -4.71 0.17 0.00 2.84 0.00 0.00 34.83 33.30 2orl s MET 80 CO 0.21 -2.19 1.40 0.00 -0.65 0.00 0.00 175.02 173.80 2orl s ALA 81 N 5.45 3.95 0.00 4.11 0.00 -1.26 -4.49 121.76 129.51 2orl s ALA 81 Ca 0.40 -3.31 0.00 0.00 0.00 0.00 0.00 51.96 49.05 2orl s ALA 81 Cb -0.04 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.96 2orl s ALA 81 CO 0.04 -2.79 0.00 0.34 0.00 0.00 0.00 175.76 173.35 2orl n PHE 82 N 5.73 0.00 0.00 0.00 7.35 -1.26 -5.07 117.46 124.20 2orl n PHE 82 Ca 0.35 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2orl n PHE 82 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 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 0.71 1.79 0.00 7.13 0.00 -1.26 -4.84 105.19 108.72 2orl n GLY 83 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.12 3.55 -0.02 0.00 -1.26 -4.55 105.19 105.03 2orl n GLY 84 Ca 0.00 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 3.52 0.03 0.99 1.43 -0.98 -4.79 118.68 118.88 2orl s LEU 85 Ca 0.00 -1.14 0.13 0.00 -1.03 0.00 0.00 54.13 52.09 2orl s LEU 85 Cb 0.00 -2.55 0.58 0.00 0.03 0.00 0.00 46.19 44.25 2orl s LEU 85 CO 0.00 -1.59 1.43 0.29 0.23 0.00 0.00 176.35 176.71 2orl n LYS 86 N 8.86 0.02 -3.44 1.70 4.76 -1.26 -4.31 118.16 124.50 2orl n LYS 86 Ca 0.21 0.31 -0.40 0.00 -2.87 0.00 0.00 58.31 55.57 2orl n LYS 86 Cb 0.50 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 2orl n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2orl s LYS 87 N -3.05 3.66 0.18 1.97 1.02 -1.26 -5.00 119.74 117.25 2orl s LYS 87 Ca 0.05 -0.37 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 2orl s LYS 87 Cb 0.08 -3.77 0.08 0.00 -0.52 0.00 0.00 37.83 33.70 2orl s LYS 87 CO 0.24 -0.45 1.84 0.93 -0.92 0.00 0.00 175.35 176.99 2orl h GLU 88 N 8.42 0.74 -0.72 1.68 5.08 -1.96 -2.85 114.58 124.98 2orl h GLU 88 Ca -0.31 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 2orl h GLU 88 Cb 1.15 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 2orl h GLU 88 CO 0.66 0.50 0.38 0.87 -1.00 0.00 0.00 179.01 180.43 2orl h LYS 89 N 0.76 0.65 -0.41 2.33 1.79 -1.95 0.18 116.57 119.93 2orl h LYS 89 Ca 0.20 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 2orl h LYS 89 Cb -0.07 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.40 2orl h LYS 89 CO -0.04 0.43 0.22 -0.44 -1.08 0.00 0.00 179.45 178.54 2orl h ASP 90 N 0.67 0.35 0.06 0.86 5.19 -1.94 -2.76 116.42 118.86 2orl h ASP 90 Ca 0.34 0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.59 2orl h ASP 90 Cb 0.29 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2orl h ASP 90 CO -0.23 0.25 -0.60 0.03 -3.12 0.00 0.00 179.24 175.57 2orl h ARG 91 N 0.45 0.54 -0.50 3.56 3.08 -1.19 -3.15 114.38 117.17 2orl h ARG 91 Ca 0.17 -0.36 0.07 0.00 0.07 0.00 0.00 59.98 59.93 2orl h ARG 91 Cb 0.04 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 2orl h ARG 91 CO -0.10 0.98 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.39 2orl h ASN 92 N 0.40 -1.62 -0.62 7.04 2.35 -0.68 0.21 115.58 122.66 2orl h ASN 92 Ca -0.00 0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 2orl h ASN 92 Cb 1.15 0.70 -0.02 0.00 0.05 0.00 0.00 38.32 40.20 2orl h ASN 92 CO 0.11 -0.36 0.07 -0.78 -1.65 0.00 0.00 177.43 174.82 2orl h ASP 93 N -0.30 1.03 -0.98 5.81 1.82 -1.65 -3.07 116.42 119.08 2orl h ASP 93 Ca 0.14 -0.26 0.06 0.00 -0.39 0.00 0.00 57.03 56.58 2orl h ASP 93 Cb 0.57 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.25 2orl h ASP 93 CO -0.64 1.04 0.64 -0.07 -1.61 0.00 0.00 179.24 178.59 2orl h LEU 94 N 0.99 1.03 0.31 2.28 3.38 -1.27 -2.35 115.31 119.68 2orl h LEU 94 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2orl h LEU 94 Cb 0.47 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2orl h LEU 94 CO 0.02 0.67 -0.15 0.40 0.09 0.00 0.00 178.44 179.47 2orl h ILE 95 N 1.17 0.72 -0.92 1.22 2.04 -0.90 -2.29 117.51 118.55 2orl h ILE 95 Ca 0.41 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 66.16 2orl h ILE 95 Cb 0.13 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 2orl h ILE 95 CO -0.15 0.05 0.55 0.74 0.00 0.00 0.00 178.15 179.33 2orl h THR 96 N -0.54 0.90 0.58 -0.27 2.02 -1.47 0.40 112.91 114.53 2orl h THR 96 Ca -0.04 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2orl h THR 96 Cb 0.40 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2orl h THR 96 CO 0.07 0.16 -0.28 0.22 0.37 0.00 0.00 175.52 176.06 2orl h TYR 97 N 0.88 -0.72 -0.74 3.16 3.20 -1.30 -0.64 116.97 120.81 2orl h TYR 97 Ca 0.45 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.30 2orl h TYR 97 Cb 0.45 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 2orl h TYR 97 CO -0.03 -0.41 0.45 1.25 -1.64 0.00 0.00 178.16 177.77 2orl h LEU 98 N -0.89 0.88 -1.03 2.82 7.12 -1.05 -2.50 115.31 120.66 2orl h LEU 98 Ca -0.08 -0.06 0.05 0.00 0.13 0.00 0.00 57.88 57.92 2orl h LEU 98 Cb 0.64 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.49 2orl h LEU 98 CO 0.13 0.68 0.65 0.50 -0.13 0.00 0.00 178.44 180.27 2orl h LYS 99 N 1.01 1.18 0.00 1.25 3.64 -0.18 -0.88 116.57 122.58 2orl h LYS 99 Ca 0.26 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 2orl h LYS 99 Cb -0.04 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 2orl h LYS 99 CO -0.05 0.78 -0.61 -0.22 -2.27 0.00 0.00 179.45 177.08 2orl h LYS 100 N 1.22 0.00 0.13 1.90 1.63 -0.69 -1.68 116.57 119.07 2orl h LYS 100 Ca 0.41 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.92 2orl h LYS 100 Cb 0.07 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2orl h LYS 100 CO -0.14 0.61 -1.24 0.00 -3.45 0.00 0.00 179.45 175.24 2orl h ALA 101 N 1.39 0.08 0.21 5.00 0.00 -1.10 -3.36 119.26 121.48 2orl h ALA 101 Ca -0.01 -0.83 -0.33 0.00 0.00 0.00 0.00 54.91 53.74 2orl h ALA 101 Cb 1.09 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.95 2orl h ALA 101 CO 0.08 0.85 -1.57 1.15 0.00 0.00 0.00 179.25 179.76 2orl h THR 102 N 0.15 1.12 0.00 0.00 2.02 -1.19 -3.49 112.91 111.52 2orl h THR 102 Ca -0.16 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.44 2orl h THR 102 Cb 1.93 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 71.25 2orl h THR 102 CO 0.22 0.82 0.00 -1.84 0.37 0.00 0.00 175.52 175.09