#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oti s GLU 2 N 0.00 3.98 -0.98 2.12 0.41 0.80 -4.93 118.70 120.10 1oti s GLU 2 Ca 0.00 2.37 -0.14 0.00 -0.41 0.00 0.00 54.97 56.79 1oti s GLU 2 Cb 0.00 -2.84 0.21 0.00 -1.78 0.00 0.00 34.13 29.72 1oti s GLU 2 CO 0.00 -0.56 1.04 -1.01 -0.49 0.00 0.00 175.26 174.25 1oti s HIS 3 N -1.18 3.71 -0.05 1.61 3.76 -1.26 -4.60 115.29 117.27 1oti s HIS 3 Ca 0.56 -2.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 1oti s HIS 3 Cb -0.43 -4.01 0.02 0.00 1.11 0.00 0.00 32.58 29.28 1oti s HIS 3 CO 0.56 -1.16 -0.03 0.08 -0.85 0.00 0.00 174.74 173.34 1oti s VAL 4 N 0.60 0.51 0.01 -0.90 1.01 -1.26 -5.15 120.40 115.23 1oti s VAL 4 Ca 0.28 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1oti s VAL 4 Cb -0.08 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1oti s VAL 4 CO -0.07 0.24 0.37 0.00 0.00 0.00 0.00 175.10 175.63 1oti s ALA 5 N 1.18 3.74 0.20 5.51 0.00 -1.26 -4.71 121.76 126.42 1oti s ALA 5 Ca -0.07 -0.34 -0.32 0.00 0.00 0.00 0.00 51.96 51.23 1oti s ALA 5 Cb -0.14 -2.28 -0.14 0.00 0.00 0.00 0.00 23.12 20.56 1oti s ALA 5 CO -0.01 0.54 1.39 0.34 0.00 0.00 0.00 175.76 178.01 1oti n PHE 6 N 1.49 1.99 -0.83 0.00 -0.00 -1.26 -2.04 117.46 116.80 1oti n PHE 6 Ca -0.12 0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.79 1oti n PHE 6 Cb 0.53 -2.43 0.00 0.00 -0.00 0.00 0.00 39.48 37.57 1oti n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1oti n GLY 7 N 2.37 0.72 3.77 7.13 0.00 -1.26 -5.03 105.19 112.89 1oti n GLY 7 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1oti n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oti s SER 8 N -2.41 6.09 0.48 1.61 0.01 -0.87 -4.89 113.70 113.72 1oti s SER 8 Ca 0.00 2.82 0.16 0.00 1.31 0.00 0.00 55.95 60.24 1oti s SER 8 Cb 0.00 -2.65 1.17 0.00 0.21 0.00 0.00 66.02 64.75 1oti s SER 8 CO 0.00 -1.02 2.06 -0.33 0.41 0.00 0.00 173.24 174.36 1oti h GLU 9 N 2.52 0.19 -0.19 12.44 4.39 -1.95 -2.63 114.58 129.35 1oti h GLU 9 Ca -0.50 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.08 1oti h GLU 9 Cb 1.26 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 1oti h GLU 9 CO 0.62 0.13 -0.36 -0.40 -1.16 0.00 0.00 179.01 177.83 1oti n ASP 10 N -4.48 2.25 -0.16 1.42 5.68 -1.26 -4.77 116.55 115.23 1oti n ASP 10 Ca 0.04 -3.86 0.03 0.00 -0.50 0.00 0.00 54.79 50.50 1oti n ASP 10 Cb 0.27 -0.56 0.32 0.00 -1.14 0.00 0.00 41.12 40.01 1oti n ASP 10 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1oti h ILE 11 N 1.08 1.12 0.00 2.12 2.10 -1.84 0.26 117.51 122.35 1oti h ILE 11 Ca 0.11 -0.29 -0.05 0.00 1.08 0.00 0.00 64.86 65.72 1oti h ILE 11 Cb 1.27 0.21 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 1oti h ILE 11 CO 0.21 0.15 -0.22 1.05 -1.08 0.00 0.00 178.15 178.26 1oti h GLU 12 N 0.84 0.00 -0.31 2.19 9.09 -1.86 -1.32 114.58 123.21 1oti h GLU 12 Ca 0.26 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.52 1oti h GLU 12 Cb 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1oti h GLU 12 CO -0.07 0.22 -0.40 -0.91 0.05 0.00 0.00 179.01 177.90 1oti h ASN 13 N 0.00 0.89 -0.32 3.06 4.21 -1.33 -2.34 115.58 119.75 1oti h ASN 13 Ca -0.00 -0.50 -0.04 0.00 1.21 0.00 0.00 56.30 56.97 1oti h ASN 13 Cb 0.63 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 1oti h ASN 13 CO 0.03 1.21 0.06 0.74 -1.29 0.00 0.00 177.43 178.18 1oti h THR 14 N 0.59 1.23 0.00 2.81 2.02 -1.26 -2.84 112.91 115.47 1oti h THR 14 Ca 0.04 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1oti h THR 14 Cb 1.00 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1oti h THR 14 CO 0.10 0.26 0.00 -0.07 0.37 0.00 0.00 175.52 176.18 1oti h LEU 15 N 0.37 0.00 -1.71 2.58 4.07 -1.29 -2.69 115.31 116.63 1oti h LEU 15 Ca 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1oti h LEU 15 Cb 0.33 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 1oti h LEU 15 CO 0.00 0.00 -0.15 0.00 -1.08 0.00 0.00 178.44 177.22 1oti h ALA 16 N 2.14 1.21 -0.00 1.53 0.00 -1.16 -2.32 119.26 120.65 1oti h ALA 16 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oti h ALA 16 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1oti h ALA 16 CO 0.00 0.19 -0.13 1.63 0.00 0.00 0.00 179.25 180.93 1oti n LYS 17 N -3.57 0.73 -3.97 0.00 5.02 -1.01 -4.93 118.16 110.43 1oti n LYS 17 Ca -0.01 -0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 55.62 1oti n LYS 17 Cb 0.29 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 1oti n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1oti s MET 18 N -2.47 3.38 0.52 1.97 -1.94 -0.88 -5.11 119.30 114.77 1oti s MET 18 Ca 0.28 -0.18 -0.05 0.00 -1.71 0.00 0.00 55.69 54.02 1oti s MET 18 Cb 0.20 -3.12 0.11 0.00 2.01 0.00 0.00 34.83 34.03 1oti s MET 18 CO 0.48 0.75 0.71 -0.40 -0.01 0.00 0.00 175.02 176.55 1oti n ASP 19 N 2.06 0.45 -0.17 3.03 3.85 -1.26 -4.86 116.55 119.65 1oti n ASP 19 Ca -0.20 -1.50 -0.09 0.00 -0.71 0.00 0.00 54.79 52.29 1oti n ASP 19 Cb 0.55 -0.51 0.01 0.00 -1.35 0.00 0.00 41.12 39.81 1oti n ASP 19 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1oti h ASP 20 N -0.72 0.79 -0.52 -1.12 2.03 -1.99 -1.37 116.42 113.52 1oti h ASP 20 Ca -0.23 -0.27 0.02 0.00 -0.73 0.00 0.00 57.03 55.82 1oti h ASP 20 Cb 0.74 -0.21 -0.03 0.00 -0.83 0.00 0.00 39.33 38.99 1oti h ASP 20 CO 0.20 0.86 0.31 1.23 -1.03 0.00 0.00 179.24 180.81 1oti h GLY 21 N 0.70 0.74 1.65 7.15 0.00 -2.00 -2.14 103.07 109.16 1oti h GLY 21 Ca 0.15 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1oti h GLY 21 CO 0.01 0.20 -0.38 1.46 0.00 0.00 0.00 176.54 177.83 1oti h GLN 22 N 0.63 0.39 -0.28 4.80 4.20 -1.84 -2.45 115.11 120.56 1oti h GLN 22 Ca 0.21 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1oti h GLN 22 Cb 0.01 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1oti h GLN 22 CO -0.09 0.71 0.20 1.25 -0.67 0.00 0.00 178.83 180.23 1oti h LEU 23 N 0.33 0.08 0.00 1.46 5.85 -0.61 0.70 115.31 123.12 1oti h LEU 23 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1oti h LEU 23 Cb 0.82 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1oti h LEU 23 CO 0.07 0.05 0.00 0.47 -0.34 0.00 0.00 178.44 178.69 1oti n ASP 24 N -4.47 0.00 -0.82 1.25 8.00 -0.92 -2.50 116.55 117.08 1oti n ASP 24 Ca 0.03 0.47 0.10 0.00 0.71 0.00 0.00 54.79 56.11 1oti n ASP 24 Cb 0.29 -0.49 0.29 0.00 -0.02 0.00 0.00 41.12 41.19 1oti n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oti n GLY 25 N 0.37 0.96 3.80 0.44 0.00 0.24 -4.65 105.19 106.35 1oti n GLY 25 Ca 0.05 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1oti n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oti s LEU 26 N -1.44 3.65 0.00 0.99 1.43 -1.04 -0.14 118.68 122.12 1oti s LEU 26 Ca 0.34 1.84 0.29 0.00 -1.03 0.00 0.00 54.13 55.57 1oti s LEU 26 Cb 0.19 -4.54 1.36 0.00 0.03 0.00 0.00 46.19 43.23 1oti s LEU 26 CO 0.27 -0.96 1.96 0.00 0.23 0.00 0.00 176.35 177.85 1oti n ALA 27 N -1.57 2.59 -2.29 4.21 0.00 -1.26 -4.72 120.51 117.47 1oti n ALA 27 Ca 0.09 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1oti n ALA 27 Cb 0.53 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1oti n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1oti s PHE 28 N -2.61 1.40 0.37 0.00 -0.12 -1.26 -5.06 117.98 110.69 1oti s PHE 28 Ca 0.26 -1.05 -0.26 0.00 -0.05 0.00 0.00 56.93 55.83 1oti s PHE 28 Cb 0.20 -0.81 -0.09 0.00 -0.63 0.00 0.00 43.02 41.69 1oti s PHE 28 CO 0.48 -0.22 1.13 0.20 -0.05 0.00 0.00 175.22 176.77 1oti s GLY 29 N -3.25 2.90 -0.05 1.99 0.00 -0.10 -4.60 107.32 104.20 1oti s GLY 29 Ca 0.30 0.91 -0.02 0.00 0.00 0.00 0.00 44.72 45.90 1oti s GLY 29 CO 0.08 1.44 0.11 0.00 0.00 0.00 0.00 173.10 174.73 1oti s ALA 30 N -1.39 -0.15 -0.06 3.20 0.00 -1.26 -0.97 121.76 121.14 1oti s ALA 30 Ca 0.54 0.55 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1oti s ALA 30 Cb -0.30 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1oti s ALA 30 CO 0.38 -0.20 -0.16 0.42 0.00 0.00 0.00 175.76 176.19 1oti s ILE 31 N 1.30 1.41 -0.18 0.00 1.01 0.06 -1.60 121.20 123.21 1oti s ILE 31 Ca -0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 1oti s ILE 31 Cb -0.12 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1oti s ILE 31 CO -0.05 0.41 0.01 -1.58 0.00 0.00 0.00 174.94 173.74 1oti s GLN 32 N 0.26 3.79 0.16 2.79 0.74 -0.47 -0.62 119.66 126.31 1oti s GLN 32 Ca -0.09 -0.44 0.10 0.00 0.05 0.00 0.00 55.36 54.98 1oti s GLN 32 Cb -0.13 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 1oti s GLN 32 CO 0.03 0.21 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.30 1oti s LEU 33 N 0.50 2.70 0.00 3.68 1.43 0.10 -0.13 118.68 126.97 1oti s LEU 33 Ca -0.00 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 1oti s LEU 33 Cb -0.14 -1.46 0.16 0.00 0.03 0.00 0.00 46.19 44.78 1oti s LEU 33 CO 0.02 0.14 0.98 -0.90 0.23 0.00 0.00 176.35 176.81 1oti n ASP 34 N 0.40 0.33 0.08 2.29 5.68 -0.55 -0.95 116.55 123.82 1oti n ASP 34 Ca -0.13 -1.51 0.10 0.00 -0.50 0.00 0.00 54.79 52.75 1oti n ASP 34 Cb 0.55 -0.72 0.43 0.00 -1.14 0.00 0.00 41.12 40.23 1oti n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oti n GLY 35 N -1.61 -1.23 0.60 6.12 0.00 -1.26 -1.57 105.19 106.25 1oti n GLY 35 Ca 0.13 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1oti n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oti n ASP 36 N -1.94 1.97 0.00 1.61 8.00 -1.26 -4.96 116.55 119.98 1oti n ASP 36 Ca 0.03 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.97 1oti n ASP 36 Cb 0.23 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1oti n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oti n GLY 37 N 1.29 0.71 3.76 0.44 0.00 -0.61 -4.89 105.19 105.89 1oti n GLY 37 Ca 0.15 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1oti n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oti s ASN 38 N -2.13 7.27 -0.27 1.61 0.01 -1.26 -0.70 114.94 119.48 1oti s ASN 38 Ca 0.00 2.27 -0.26 0.00 -0.71 0.00 0.00 52.86 54.16 1oti s ASN 38 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1oti s ASN 38 CO 0.00 -0.15 0.90 -0.63 -1.51 0.00 0.00 177.10 175.72 1oti s ILE 39 N -1.14 4.74 -0.17 0.60 1.01 0.07 -1.49 121.20 124.82 1oti s ILE 39 Ca 0.45 1.61 0.03 0.00 0.00 0.00 0.00 60.65 62.73 1oti s ILE 39 Cb -0.32 -4.21 -0.22 0.00 0.01 0.00 0.00 42.46 37.72 1oti s ILE 39 CO 0.41 -0.20 0.15 0.18 0.00 0.00 0.00 174.94 175.47 1oti n LEU 40 N 6.26 2.10 -3.82 2.97 4.77 0.81 -0.79 117.00 129.30 1oti n LEU 40 Ca 0.08 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1oti n LEU 40 Cb 0.47 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1oti n LEU 40 CO 0.51 0.77 -0.07 -1.10 -1.33 0.00 0.00 177.39 176.16 1oti s GLN 41 N -2.54 0.64 -0.27 3.23 -0.21 -1.11 -4.90 119.66 114.50 1oti s GLN 41 Ca -0.23 -0.43 -0.03 0.00 0.02 0.00 0.00 55.36 54.69 1oti s GLN 41 Cb 0.08 0.27 0.15 0.00 1.00 0.00 0.00 33.01 34.51 1oti s GLN 41 CO 0.73 -0.18 0.50 -0.47 -2.12 0.00 0.00 175.29 173.75 1oti s TYR 42 N -1.87 -1.19 0.66 0.91 6.14 -1.26 -1.37 117.35 119.37 1oti s TYR 42 Ca -0.10 1.44 -0.02 0.00 0.64 0.00 0.00 57.07 59.03 1oti s TYR 42 Cb -0.04 0.36 0.08 0.00 0.42 0.00 0.00 41.96 42.78 1oti s TYR 42 CO 0.00 -0.74 0.92 0.54 0.64 0.00 0.00 175.55 176.91 1oti s ASN 43 N 2.72 4.76 0.24 4.32 4.22 -0.63 -4.77 114.94 125.80 1oti s ASN 43 Ca 0.12 -0.04 -0.04 0.00 -2.14 0.00 0.00 52.86 50.76 1oti s ASN 43 Cb -0.14 -0.57 0.28 0.00 1.28 0.00 0.00 41.25 42.09 1oti s ASN 43 CO -0.18 -1.56 1.74 0.00 -2.04 0.00 0.00 177.10 175.06 1oti h ALA 44 N -0.35 1.05 -0.39 3.54 0.00 -1.83 -2.47 119.26 118.81 1oti h ALA 44 Ca -0.40 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1oti h ALA 44 Cb 1.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1oti h ALA 44 CO 0.49 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 180.30 1oti h ALA 45 N 1.21 1.22 -0.33 0.00 0.00 -1.83 -1.55 119.26 117.97 1oti h ALA 45 Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1oti h ALA 45 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1oti h ALA 45 CO 0.02 0.51 0.09 0.37 0.00 0.00 0.00 179.25 180.24 1oti h GLN 46 N 0.60 0.52 -0.05 0.00 5.75 -1.70 -2.72 115.11 117.51 1oti h GLN 46 Ca 0.12 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1oti h GLN 46 Cb 0.42 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1oti h GLN 46 CO 0.02 0.57 -0.04 0.78 -2.65 0.00 0.00 178.83 177.51 1oti h GLY 47 N 0.38 0.08 1.94 2.39 0.00 -1.09 -0.81 103.07 105.95 1oti h GLY 47 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1oti h GLY 47 CO -0.00 0.03 -0.31 -0.55 0.00 0.00 0.00 176.54 175.71 1oti h ASP 48 N 0.07 0.07 0.01 0.19 3.32 -1.00 0.16 116.42 119.24 1oti h ASP 48 Ca 0.02 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 1oti h ASP 48 Cb 0.12 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1oti h ASP 48 CO 0.01 0.39 -0.77 0.40 -1.72 0.00 0.00 179.24 177.55 1oti h ILE 49 N 0.06 1.38 -0.00 0.35 2.04 -0.90 -3.39 117.51 117.06 1oti h ILE 49 Ca 0.01 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1oti h ILE 49 Cb 0.59 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1oti h ILE 49 CO 0.04 0.64 -0.70 0.35 0.00 0.00 0.00 178.15 178.48 1oti n THR 50 N -4.09 0.00 -1.03 -0.27 -2.24 -0.71 -4.99 114.28 100.96 1oti n THR 50 Ca -0.11 -0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 1oti n THR 50 Cb 0.75 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 70.01 1oti n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oti n GLY 51 N 1.35 0.44 3.82 3.38 0.00 0.56 -4.94 105.19 109.80 1oti n GLY 51 Ca 0.04 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1oti n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oti s ARG 52 N -0.89 4.04 -0.27 1.61 3.00 -1.24 -5.06 118.95 120.15 1oti s ARG 52 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 55.73 55.99 1oti s ARG 52 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 34.95 31.73 1oti s ARG 52 CO 0.00 0.66 1.04 0.34 0.00 0.00 0.00 175.30 177.34 1oti s ASP 53 N -1.05 7.01 0.26 0.23 3.68 -1.26 -4.38 116.67 121.16 1oti s ASP 53 Ca 0.26 1.21 -0.01 0.00 2.13 0.00 0.00 52.55 56.14 1oti s ASP 53 Cb -0.18 -2.53 0.57 0.00 -1.45 0.00 0.00 42.92 39.33 1oti s ASP 53 CO 0.16 -0.75 1.72 -0.65 0.13 0.00 0.00 175.17 175.78 1oti h PRO 54 N 7.74 0.45 -0.07 4.34 0.11 -1.89 -0.36 132.00 142.32 1oti h PRO 54 Ca -0.20 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.90 1oti h PRO 54 Cb 1.06 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1oti h PRO 54 CO 0.99 0.30 0.05 0.87 -0.21 0.00 0.00 178.00 180.00 1oti h LYS 55 N 0.46 0.02 0.00 1.05 6.56 -1.91 -2.04 116.57 120.71 1oti h LYS 55 Ca 0.48 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1oti h LYS 55 Cb 0.78 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1oti h LYS 55 CO -0.44 0.01 -0.57 1.96 -2.06 0.00 0.00 179.45 178.35 1oti h GLN 56 N 0.02 0.00 0.00 3.15 4.20 -1.46 -3.33 115.11 117.69 1oti h GLN 56 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1oti h GLN 56 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1oti h GLN 56 CO -0.00 0.00 -1.22 1.33 -0.67 0.00 0.00 178.83 178.27 1oti n VAL 57 N -2.52 0.13 -1.88 -0.54 0.24 -0.79 -4.84 118.33 108.12 1oti n VAL 57 Ca 0.02 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1oti n VAL 57 Cb 0.50 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 1oti n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1oti s ILE 58 N -3.24 2.62 0.00 1.34 1.01 -1.03 -1.61 121.20 120.29 1oti s ILE 58 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1oti s ILE 58 Cb 0.14 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1oti s ILE 58 CO 0.83 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.40 1oti n GLY 59 N 3.88 2.25 3.89 6.18 0.00 0.02 -5.00 105.19 116.41 1oti n GLY 59 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1oti n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oti s LYS 60 N -0.99 2.56 -0.17 1.61 1.02 -0.63 -4.62 119.74 118.51 1oti s LYS 60 Ca 0.00 0.33 -0.18 0.00 0.02 0.00 0.00 55.97 56.14 1oti s LYS 60 Cb 0.00 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1oti s LYS 60 CO 0.00 -1.22 0.48 1.21 -0.92 0.00 0.00 175.35 174.90 1oti s ASN 61 N -4.43 6.58 0.16 2.83 3.84 -1.26 -0.75 114.94 121.90 1oti s ASN 61 Ca 0.59 0.69 -0.12 0.00 0.21 0.00 0.00 52.86 54.23 1oti s ASN 61 Cb -0.11 -2.28 0.05 0.00 -0.55 0.00 0.00 41.25 38.36 1oti s ASN 61 CO 0.51 -0.10 1.67 0.15 -2.79 0.00 0.00 177.10 176.53 1oti h PHE 62 N 7.20 0.95 0.00 0.43 3.57 -1.25 -1.38 116.94 126.45 1oti h PHE 62 Ca -0.37 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 60.87 1oti h PHE 62 Cb 1.16 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1oti h PHE 62 CO 0.67 0.82 -0.83 0.74 -2.23 0.00 0.00 178.31 177.48 1oti h PHE 63 N 0.80 0.00 0.08 0.41 0.04 -1.83 0.12 116.94 116.57 1oti h PHE 63 Ca 0.17 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.61 1oti h PHE 63 Cb 0.36 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 1oti h PHE 63 CO 0.03 0.63 -1.83 1.17 -0.60 0.00 0.00 178.31 177.71 1oti n LYS 64 N -3.17 0.70 -0.09 1.51 4.81 -1.21 -4.21 118.16 116.50 1oti n LYS 64 Ca -0.01 0.35 -0.17 0.00 -0.87 0.00 0.00 58.31 57.60 1oti n LYS 64 Cb 0.81 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 34.09 1oti n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1oti n ASP 65 N -3.76 1.57 0.01 3.14 8.00 -0.56 -4.72 116.55 120.22 1oti n ASP 65 Ca -0.33 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.09 1oti n ASP 65 Cb 0.94 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 41.45 1oti n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1oti h VAL 66 N -0.48 0.79 -2.10 2.53 2.07 -1.41 -3.43 116.25 114.23 1oti h VAL 66 Ca -0.42 -2.36 -0.56 0.00 0.82 0.00 0.00 66.70 64.17 1oti h VAL 66 Cb 1.42 2.56 -0.41 0.00 -1.52 0.00 0.00 31.29 33.35 1oti h VAL 66 CO -0.22 0.79 -0.90 0.00 0.02 0.00 0.00 177.57 177.26 1oti n ALA 67 N -3.02 3.18 0.28 1.67 0.00 0.42 -4.93 120.51 118.11 1oti n ALA 67 Ca -0.29 -4.01 0.14 0.00 0.00 0.00 0.00 53.44 49.27 1oti n ALA 67 Cb 0.98 -0.85 0.82 0.00 0.00 0.00 0.00 19.45 20.40 1oti n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1oti h PRO 68 N 3.77 0.00 0.00 0.00 0.13 -1.77 -1.05 132.00 133.08 1oti h PRO 68 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1oti h PRO 68 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1oti h PRO 68 CO 0.63 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1oti n THR 70 N -2.88 0.00 -2.62 0.00 -2.24 -0.40 -4.65 114.28 101.49 1oti n THR 70 Ca -0.01 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1oti n THR 70 Cb 0.19 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1oti n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oti s ASP 71 N -2.32 6.66 0.08 3.42 -1.08 -0.44 -1.51 116.67 121.48 1oti s ASP 71 Ca 0.31 -1.92 -0.25 0.00 -0.52 0.00 0.00 52.55 50.17 1oti s ASP 71 Cb 0.20 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 39.18 1oti s ASP 71 CO 0.45 -1.32 0.61 -0.94 0.52 0.00 0.00 175.17 174.49 1oti s SER 72 N 4.49 -0.57 0.49 -0.34 1.04 -1.26 -4.96 113.70 112.59 1oti s SER 72 Ca 0.47 0.22 0.16 0.00 0.48 0.00 0.00 55.95 57.28 1oti s SER 72 Cb 0.01 0.56 1.19 0.00 0.10 0.00 0.00 66.02 67.88 1oti s SER 72 CO -0.03 -0.83 2.08 -0.65 0.98 0.00 0.00 173.24 174.79 1oti h PRO 73 N 2.40 0.15 0.00 4.02 0.11 -1.94 -0.78 132.00 135.95 1oti h PRO 73 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1oti h PRO 73 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1oti h PRO 73 CO 0.39 0.10 0.00 0.93 -0.21 0.00 0.00 178.00 179.21 1oti h GLU 74 N 0.16 0.00 0.00 1.05 3.07 -1.95 -2.94 114.58 113.97 1oti h GLU 74 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1oti h GLU 74 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1oti h GLU 74 CO -0.02 0.00 0.00 0.34 -1.40 0.00 0.00 179.01 177.93 1oti n PHE 75 N -2.72 0.00 -0.29 4.33 -0.00 -1.00 -4.64 117.46 113.14 1oti n PHE 75 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.50 1oti n PHE 75 Cb 0.27 0.06 0.18 0.00 -0.00 0.00 0.00 39.48 39.99 1oti n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1oti h TYR 76 N 0.00 0.83 -0.67 -5.13 3.20 -0.65 -1.11 116.97 113.44 1oti h TYR 76 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1oti h TYR 76 Cb 0.00 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1oti h TYR 76 CO 0.00 0.30 0.40 0.78 -1.64 0.00 0.00 178.16 178.00 1oti h GLY 77 N 0.74 0.98 1.44 1.82 0.00 -1.08 -0.42 103.07 106.54 1oti h GLY 77 Ca 0.42 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1oti h GLY 77 CO -0.28 0.40 -0.09 0.50 0.00 0.00 0.00 176.54 177.07 1oti h LYS 78 N 0.91 0.67 0.19 4.80 1.57 -1.18 -1.68 116.57 121.86 1oti h LYS 78 Ca 0.24 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1oti h LYS 78 Cb -0.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1oti h LYS 78 CO -0.04 0.75 -0.09 0.35 -0.57 0.00 0.00 179.45 179.85 1oti h PHE 79 N 0.62 -0.23 -0.29 -1.35 3.57 -0.64 -1.28 116.94 117.33 1oti h PHE 79 Ca 0.11 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1oti h PHE 79 Cb 0.52 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1oti h PHE 79 CO 0.02 -0.06 -0.16 1.57 -2.23 0.00 0.00 178.31 177.45 1oti h LYS 80 N -0.36 0.52 -0.64 1.11 5.09 -0.95 0.03 116.57 121.37 1oti h LYS 80 Ca -0.03 -0.17 0.01 0.00 0.09 0.00 0.00 60.65 60.55 1oti h LYS 80 Cb 0.28 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 32.53 1oti h LYS 80 CO 0.04 0.67 0.43 0.93 -2.09 0.00 0.00 179.45 179.43 1oti h GLU 81 N 0.47 0.85 -0.33 0.07 5.08 -1.13 -1.64 114.58 117.95 1oti h GLU 81 Ca 0.08 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1oti h GLU 81 Cb 0.56 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1oti h GLU 81 CO 0.04 0.57 -0.34 0.78 -1.00 0.00 0.00 179.01 179.05 1oti h GLY 82 N 0.87 0.82 0.99 -3.84 0.00 -0.57 0.24 103.07 101.58 1oti h GLY 82 Ca 0.24 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1oti h GLY 82 CO -0.05 0.71 0.28 -2.08 0.00 0.00 0.00 176.54 175.40 1oti h VAL 83 N 0.63 1.21 -0.33 4.60 2.07 -0.85 -0.75 116.25 122.84 1oti h VAL 83 Ca 0.06 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.79 1oti h VAL 83 Cb 0.88 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1oti h VAL 83 CO 0.08 0.25 -0.47 0.00 0.02 0.00 0.00 177.57 177.44 1oti h ALA 84 N 1.11 0.50 0.00 1.67 0.00 -1.09 -3.19 119.26 118.26 1oti h ALA 84 Ca 0.20 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1oti h ALA 84 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1oti h ALA 84 CO -0.02 0.66 -0.38 0.66 0.00 0.00 0.00 179.25 180.17 1oti h SER 85 N 0.70 0.00 0.00 0.00 4.64 -0.89 -3.47 113.55 114.52 1oti h SER 85 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1oti h SER 85 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1oti h SER 85 CO 0.11 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1oti n GLY 86 N 1.15 0.73 2.57 -0.77 0.00 -0.30 -4.97 105.19 103.59 1oti n GLY 86 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1oti n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1oti s ASN 87 N -2.40 2.63 -0.28 1.61 3.04 -1.14 -5.02 114.94 113.38 1oti s ASN 87 Ca 0.00 -3.32 -0.11 0.00 0.04 0.00 0.00 52.86 49.48 1oti s ASN 87 Cb 0.00 -0.85 -0.05 0.00 -1.54 0.00 0.00 41.25 38.81 1oti s ASN 87 CO 0.00 -0.14 0.17 -0.22 -3.04 0.00 0.00 177.10 173.87 1oti s LEU 88 N -0.44 3.95 -0.34 3.21 2.96 -1.25 -4.69 118.68 122.09 1oti s LEU 88 Ca 0.30 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1oti s LEU 88 Cb 0.00 -2.09 0.19 0.00 0.50 0.00 0.00 46.19 44.79 1oti s LEU 88 CO -0.18 -0.06 0.81 0.21 -1.32 0.00 0.00 176.35 175.81 1oti s ASN 89 N 1.74 -1.03 -0.03 3.68 2.47 -1.22 -1.42 114.94 119.13 1oti s ASN 89 Ca 0.07 -0.23 -0.15 0.00 0.42 0.00 0.00 52.86 52.97 1oti s ASN 89 Cb -0.16 1.45 0.03 0.00 -1.45 0.00 0.00 41.25 41.12 1oti s ASN 89 CO 0.10 -0.15 0.33 0.28 -3.72 0.00 0.00 177.10 173.94 1oti s THR 90 N 2.34 0.05 -0.01 -5.21 -1.32 -0.37 -4.99 115.64 106.12 1oti s THR 90 Ca 0.17 -0.40 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 1oti s THR 90 Cb -0.03 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 1oti s THR 90 CO -0.17 -0.22 -0.10 -0.32 -2.21 0.00 0.00 174.62 171.60 1oti s MET 91 N -1.16 0.89 0.16 7.08 1.75 -1.26 -0.74 119.30 126.01 1oti s MET 91 Ca -0.12 -0.37 -0.23 0.00 -1.25 0.00 0.00 55.69 53.71 1oti s MET 91 Cb -0.05 -0.85 0.06 0.00 2.84 0.00 0.00 34.83 36.84 1oti s MET 91 CO 0.04 0.21 0.68 -0.59 -0.65 0.00 0.00 175.02 174.71 1oti s PHE 92 N -0.18 -0.42 0.23 4.11 -0.71 -0.29 -5.00 117.98 115.72 1oti s PHE 92 Ca 0.03 0.17 -0.03 0.00 -1.04 0.00 0.00 56.93 56.06 1oti s PHE 92 Cb -0.05 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.31 1oti s PHE 92 CO -0.00 -0.88 0.46 -1.21 -1.34 0.00 0.00 175.22 172.24 1oti s GLU 93 N -3.68 3.57 0.19 1.99 2.02 -1.26 -0.81 118.70 120.72 1oti s GLU 93 Ca 0.04 -0.19 -0.17 0.00 0.02 0.00 0.00 54.97 54.67 1oti s GLU 93 Cb -0.02 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1oti s GLU 93 CO -0.08 0.33 0.49 -0.47 0.02 0.00 0.00 175.26 175.55 1oti s TYR 94 N -1.95 -0.08 -0.13 1.61 5.04 -0.32 -4.94 117.35 116.58 1oti s TYR 94 Ca 0.41 -0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1oti s TYR 94 Cb -0.11 0.34 0.01 0.00 0.35 0.00 0.00 41.96 42.55 1oti s TYR 94 CO 0.29 -0.89 -0.22 0.99 -1.34 0.00 0.00 175.55 174.39 1oti s THR 95 N -3.88 2.13 -0.26 4.34 2.01 -1.26 -0.77 115.64 117.95 1oti s THR 95 Ca 0.10 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 1oti s THR 95 Cb -0.00 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1oti s THR 95 CO -0.03 0.55 0.22 -0.36 -0.69 0.00 0.00 174.62 174.31 1oti s PHE 96 N 0.73 3.27 0.00 4.92 0.08 -0.21 -4.91 117.98 121.85 1oti s PHE 96 Ca -0.09 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.20 1oti s PHE 96 Cb -0.16 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 1oti s PHE 96 CO 0.00 -0.07 0.83 -0.40 -0.10 0.00 0.00 175.22 175.48 1oti n ASP 97 N 4.76 0.00 -4.60 1.36 5.75 -1.26 -1.22 116.55 121.34 1oti n ASP 97 Ca -0.13 -1.69 -0.40 0.00 -0.01 0.00 0.00 54.79 52.55 1oti n ASP 97 Cb 0.52 -0.14 -0.08 0.00 -1.03 0.00 0.00 41.12 40.39 1oti n ASP 97 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1oti s TYR 98 N 0.00 3.23 -1.61 2.11 5.04 -1.26 -4.22 117.35 120.64 1oti s TYR 98 Ca 0.00 0.50 -0.16 0.00 -2.44 0.00 0.00 57.07 54.97 1oti s TYR 98 Cb 0.00 -2.81 0.12 0.00 0.35 0.00 0.00 41.96 39.62 1oti s TYR 98 CO 0.00 -0.38 0.91 1.04 -1.34 0.00 0.00 175.55 175.78 1oti n GLN 99 N 5.64 -4.53 -3.49 4.97 6.02 -1.26 -4.93 117.38 119.79 1oti n GLN 99 Ca -0.04 0.50 -0.10 0.00 -0.01 0.00 0.00 57.00 57.35 1oti n GLN 99 Cb 0.49 -5.33 -0.02 0.00 1.02 0.00 0.00 30.24 26.41 1oti n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1oti s MET 100 N -6.76 1.14 0.27 -1.09 0.23 -1.26 -5.05 119.30 106.78 1oti s MET 100 Ca 0.71 -0.45 -0.30 0.00 -1.03 0.00 0.00 55.69 54.61 1oti s MET 100 Cb -0.37 0.51 -0.11 0.00 -1.53 0.00 0.00 34.83 33.33 1oti s MET 100 CO 0.87 -0.50 1.50 0.95 -2.03 0.00 0.00 175.02 175.81 1oti s THR 101 N -3.51 2.41 0.20 3.16 -4.23 -1.26 -4.71 115.64 107.70 1oti s THR 101 Ca 0.04 0.35 -0.33 0.00 -1.18 0.00 0.00 61.69 60.57 1oti s THR 101 Cb -0.01 -3.22 -0.13 0.00 1.34 0.00 0.00 72.50 70.48 1oti s THR 101 CO -0.10 0.06 1.67 -2.65 -0.54 0.00 0.00 174.62 173.06 1oti n PRO 102 N 2.23 2.55 -3.86 3.99 -0.02 -1.26 -4.75 135.00 133.89 1oti n PRO 102 Ca 0.07 0.92 -0.24 0.00 -2.02 0.00 0.00 63.50 62.23 1oti n PRO 102 Cb 0.39 -2.74 -0.17 0.00 -0.02 0.00 0.00 33.50 30.96 1oti n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1oti s THR 103 N 1.02 0.61 0.16 3.45 2.01 -0.36 -4.97 115.64 117.56 1oti s THR 103 Ca 0.76 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 1oti s THR 103 Cb -0.57 -0.71 -0.07 0.00 0.01 0.00 0.00 72.50 71.17 1oti s THR 103 CO 0.35 0.29 0.92 -0.54 -0.69 0.00 0.00 174.62 174.96 1oti s LYS 104 N 1.78 4.73 0.12 4.92 1.02 -1.26 -1.04 119.74 130.00 1oti s LYS 104 Ca 0.03 1.41 0.01 0.00 0.02 0.00 0.00 55.97 57.44 1oti s LYS 104 Cb -0.13 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1oti s LYS 104 CO -0.06 0.35 -0.02 0.14 -0.92 0.00 0.00 175.35 174.85 1oti s VAL 105 N -0.51 0.51 -0.14 3.17 -7.23 0.05 -2.55 120.40 113.69 1oti s VAL 105 Ca 0.43 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1oti s VAL 105 Cb -0.24 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1oti s VAL 105 CO 0.30 -0.70 0.06 -0.75 -0.31 0.00 0.00 175.10 173.69 1oti s LYS 106 N -3.91 3.54 -0.06 4.82 2.20 0.16 -1.18 119.74 125.31 1oti s LYS 106 Ca 0.17 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.51 1oti s LYS 106 Cb 0.06 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1oti s LYS 106 CO -0.02 0.52 -0.23 0.08 -0.36 0.00 0.00 175.35 175.34 1oti s VAL 107 N -0.33 1.89 -0.17 4.02 1.01 0.01 -1.56 120.40 125.26 1oti s VAL 107 Ca 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1oti s VAL 107 Cb -0.12 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1oti s VAL 107 CO 0.02 0.53 -0.18 -2.28 0.00 0.00 0.00 175.10 173.18 1oti s HIS 108 N -0.02 2.65 -0.14 5.22 2.46 0.01 -1.14 115.29 124.33 1oti s HIS 108 Ca -0.06 -1.57 -0.05 0.00 0.47 0.00 0.00 55.06 53.85 1oti s HIS 108 Cb -0.14 -1.84 -0.04 0.00 -0.13 0.00 0.00 32.58 30.43 1oti s HIS 108 CO 0.04 -0.78 0.04 -1.64 -2.47 0.00 0.00 174.74 169.93 1oti s MET 109 N 1.33 3.53 -0.12 2.88 -1.94 0.08 -0.39 119.30 124.67 1oti s MET 109 Ca 0.05 -0.35 -0.10 0.00 -1.71 0.00 0.00 55.69 53.57 1oti s MET 109 Cb -0.13 -3.03 0.03 0.00 2.01 0.00 0.00 34.83 33.71 1oti s MET 109 CO -0.12 0.49 0.32 0.21 -0.01 0.00 0.00 175.02 175.90 1oti s LYS 110 N -0.26 0.36 0.50 2.03 2.20 -0.46 -1.24 119.74 122.87 1oti s LYS 110 Ca 0.07 0.47 -0.23 0.00 -0.36 0.00 0.00 55.97 55.92 1oti s LYS 110 Cb -0.12 0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 36.28 1oti s LYS 110 CO 0.02 -0.06 1.38 0.21 -0.36 0.00 0.00 175.35 176.54 1oti s LYS 111 N 0.32 3.44 0.82 4.03 2.20 -0.51 -0.45 119.74 129.59 1oti s LYS 111 Ca -0.01 2.30 -0.11 0.00 -0.36 0.00 0.00 55.97 57.78 1oti s LYS 111 Cb -0.03 -2.46 0.08 0.00 -1.51 0.00 0.00 37.83 33.91 1oti s LYS 111 CO -0.01 -0.97 1.09 0.00 -0.36 0.00 0.00 175.35 175.09 1oti s ALA 112 N -1.27 2.02 0.27 3.13 0.00 -0.04 -4.79 121.76 121.08 1oti s ALA 112 Ca 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1oti s ALA 112 Cb -0.41 -3.19 0.41 0.00 0.00 0.00 0.00 23.12 19.93 1oti s ALA 112 CO 0.51 -1.93 1.89 1.25 0.00 0.00 0.00 175.76 177.48 1oti h LEU 113 N -1.24 1.04 -0.05 0.00 5.85 -1.88 0.32 115.31 119.35 1oti h LEU 113 Ca -0.47 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1oti h LEU 113 Cb 1.26 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1oti h LEU 113 CO 0.55 0.67 0.00 -1.54 -0.34 0.00 0.00 178.44 177.78 1oti n SER 114 N -4.49 0.68 0.00 1.25 3.41 -1.26 -4.94 113.62 108.27 1oti n SER 114 Ca 0.15 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1oti n SER 114 Cb 0.17 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1oti n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oti n GLY 115 N 1.23 0.75 0.05 5.00 0.00 0.10 -4.87 105.19 107.44 1oti n GLY 115 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1oti n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oti n ASP 116 N 0.00 1.96 -3.82 1.61 5.68 -1.26 -4.92 116.55 115.80 1oti n ASP 116 Ca 0.00 -2.38 -0.09 0.00 -0.50 0.00 0.00 54.79 51.82 1oti n ASP 116 Cb 0.00 -0.18 -0.05 0.00 -1.14 0.00 0.00 41.12 39.76 1oti n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1oti s SER 117 N -1.69 -0.17 -0.01 -1.12 1.04 -1.26 -4.57 113.70 105.93 1oti s SER 117 Ca 0.13 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1oti s SER 117 Cb 0.11 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1oti s SER 117 CO 0.01 -1.02 -0.02 -0.31 0.98 0.00 0.00 173.24 172.88 1oti s TYR 118 N -3.91 0.27 -0.03 5.02 1.51 -0.13 -0.86 117.35 119.23 1oti s TYR 118 Ca 0.12 -0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1oti s TYR 118 Cb 0.00 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 1oti s TYR 118 CO -0.01 -0.04 0.16 -1.58 -1.11 0.00 0.00 175.55 172.96 1oti s TRP 119 N 0.27 3.52 -0.20 2.71 0.52 0.40 0.03 118.94 126.20 1oti s TRP 119 Ca -0.02 0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.47 1oti s TRP 119 Cb -0.05 -1.83 0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1oti s TRP 119 CO -0.01 0.65 -0.18 0.08 0.02 0.00 0.00 176.95 177.51 1oti s VAL 120 N -1.25 2.08 -0.08 4.03 1.01 0.21 -1.35 120.40 125.05 1oti s VAL 120 Ca 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1oti s VAL 120 Cb -0.12 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1oti s VAL 120 CO 0.15 0.41 -0.07 -0.36 0.00 0.00 0.00 175.10 175.24 1oti s PHE 121 N 1.25 2.95 -0.01 5.22 0.08 0.47 -0.76 117.98 127.17 1oti s PHE 121 Ca 0.02 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.07 1oti s PHE 121 Cb -0.15 -1.74 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1oti s PHE 121 CO -0.11 0.29 -0.07 0.08 -0.10 0.00 0.00 175.22 175.30 1oti s VAL 122 N -0.68 0.61 0.05 -0.44 1.01 -0.14 -0.81 120.40 120.00 1oti s VAL 122 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1oti s VAL 122 Cb -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1oti s VAL 122 CO 0.02 0.19 -0.04 -1.59 0.00 0.00 0.00 175.10 173.67 1oti s LYS 123 N 0.05 0.53 0.59 2.72 -2.85 -0.60 -0.93 119.74 119.24 1oti s LYS 123 Ca -0.00 -0.96 -0.18 0.00 -1.00 0.00 0.00 55.97 53.82 1oti s LYS 123 Cb -0.06 0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.71 1oti s LYS 123 CO -0.00 -0.05 1.17 1.03 0.10 0.00 0.00 175.35 177.59 1oti s ARG 124 N -2.72 3.07 0.00 1.78 0.52 -1.26 -0.66 118.95 119.67 1oti s ARG 124 Ca -0.03 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 1oti s ARG 124 Cb -0.01 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1oti s ARG 124 CO -0.05 -1.10 0.26 1.33 0.02 0.00 0.00 175.30 175.77