#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot9 s GLU 2 N 0.00 3.43 -0.70 0.03 0.41 0.18 -4.93 118.70 117.12 1ot9 s GLU 2 Ca 0.00 0.24 0.05 0.00 -0.41 0.00 0.00 54.97 54.85 1ot9 s GLU 2 Cb 0.00 -2.31 0.18 0.00 -1.78 0.00 0.00 34.13 30.22 1ot9 s GLU 2 CO 0.00 -0.35 0.53 0.72 -0.49 0.00 0.00 175.26 175.67 1ot9 n HIS 3 N -2.39 3.32 -3.78 1.61 8.25 -1.26 -4.63 115.22 116.34 1ot9 n HIS 3 Ca 0.02 -4.30 -0.15 0.00 -0.26 0.00 0.00 57.72 53.04 1ot9 n HIS 3 Cb 0.55 -0.62 -0.16 0.00 1.12 0.00 0.00 29.99 30.89 1ot9 n HIS 3 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ot9 s VAL 4 N -1.62 -0.05 0.11 1.59 1.01 -1.26 -5.15 120.40 115.03 1ot9 s VAL 4 Ca 0.27 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 1ot9 s VAL 4 Cb -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 36.38 36.21 1ot9 s VAL 4 CO -0.15 0.08 0.67 0.00 0.00 0.00 0.00 175.10 175.70 1ot9 s ALA 5 N 0.97 3.51 0.21 5.51 0.00 -1.26 -4.70 121.76 126.01 1ot9 s ALA 5 Ca -0.08 0.19 -0.32 0.00 0.00 0.00 0.00 51.96 51.75 1ot9 s ALA 5 Cb -0.12 -2.80 -0.13 0.00 0.00 0.00 0.00 23.12 20.07 1ot9 s ALA 5 CO -0.03 0.32 1.54 0.34 0.00 0.00 0.00 175.76 177.94 1ot9 n PHE 6 N 1.79 2.38 -0.85 0.00 -0.00 -1.26 -2.13 117.46 117.39 1ot9 n PHE 6 Ca -0.08 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 1ot9 n PHE 6 Cb 0.50 -2.54 0.00 0.00 -0.00 0.00 0.00 39.48 37.44 1ot9 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ot9 n GLY 7 N 2.90 0.61 3.77 7.13 0.00 -1.26 -5.02 105.19 113.33 1ot9 n GLY 7 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1ot9 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ot9 n SER 8 N 0.00 3.75 0.18 1.61 7.64 -0.91 -4.89 113.62 121.00 1ot9 n SER 8 Ca 0.00 1.22 0.05 0.00 1.01 0.00 0.00 58.87 61.15 1ot9 n SER 8 Cb 0.00 -1.62 0.49 0.00 -1.01 0.00 0.00 64.21 62.07 1ot9 n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ot9 h GLU 9 N 2.87 0.13 -0.37 1.43 4.57 -1.95 -2.74 114.58 118.52 1ot9 h GLU 9 Ca -0.51 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.46 1ot9 h GLU 9 Cb 1.25 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.70 1ot9 h GLU 9 CO 0.64 0.21 -0.09 -0.25 -1.18 0.00 0.00 179.01 178.34 1ot9 n ASP 10 N -4.38 2.50 -0.21 1.04 8.00 -1.26 -4.68 116.55 117.55 1ot9 n ASP 10 Ca -0.01 -3.80 0.08 0.00 0.71 0.00 0.00 54.79 51.76 1ot9 n ASP 10 Cb 0.19 -0.64 0.36 0.00 -0.02 0.00 0.00 41.12 41.01 1ot9 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ot9 h ILE 11 N 1.01 0.97 0.00 0.53 2.10 -1.86 -0.87 117.51 119.40 1ot9 h ILE 11 Ca 0.23 -0.26 -0.07 0.00 1.08 0.00 0.00 64.86 65.84 1ot9 h ILE 11 Cb 1.67 0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.54 1ot9 h ILE 11 CO 0.41 0.14 -0.34 1.05 -1.08 0.00 0.00 178.15 178.33 1ot9 h GLU 12 N 0.75 0.00 -0.15 2.19 9.09 -1.86 -0.57 114.58 124.02 1ot9 h GLU 12 Ca 0.35 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.67 1ot9 h GLU 12 Cb 0.39 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1ot9 h GLU 12 CO -0.13 0.34 -0.26 -0.91 0.05 0.00 0.00 179.01 178.10 1ot9 h ASN 13 N 0.00 0.49 -0.99 3.06 2.35 -1.55 -2.95 115.58 116.00 1ot9 h ASN 13 Ca -0.00 -0.54 0.02 0.00 -0.55 0.00 0.00 56.30 55.23 1ot9 h ASN 13 Cb 0.63 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.80 1ot9 h ASN 13 CO 0.04 0.94 0.65 0.74 -1.65 0.00 0.00 177.43 178.15 1ot9 h THR 14 N 0.07 1.23 -0.00 2.81 2.02 -1.04 -2.82 112.91 115.16 1ot9 h THR 14 Ca 0.01 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ot9 h THR 14 Cb 0.84 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1ot9 h THR 14 CO 0.06 0.24 -0.22 0.18 0.37 0.00 0.00 175.52 176.15 1ot9 n LEU 15 N -4.42 0.61 0.20 2.58 4.32 -0.25 -3.31 117.00 116.73 1ot9 n LEU 15 Ca 0.12 -0.03 0.15 0.00 -0.02 0.00 0.00 56.01 56.23 1ot9 n LEU 15 Cb 0.04 -0.20 0.77 0.00 -1.62 0.00 0.00 43.42 42.40 1ot9 n LEU 15 CO 0.36 0.12 1.13 0.00 -1.22 0.00 0.00 177.39 177.78 1ot9 h ALA 16 N 3.46 1.94 0.00 -1.18 0.00 -1.31 -2.78 119.26 119.39 1ot9 h ALA 16 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ot9 h ALA 16 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ot9 h ALA 16 CO 0.00 -0.24 -0.69 1.57 0.00 0.00 0.00 179.25 179.90 1ot9 h LYS 17 N 0.00 0.00 -6.36 0.00 2.10 -1.71 -3.47 116.57 107.13 1ot9 h LYS 17 Ca 0.08 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.18 1ot9 h LYS 17 Cb 0.38 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.69 1ot9 h LYS 17 CO -0.00 0.59 0.59 -1.64 -2.00 0.00 0.00 179.45 176.99 1ot9 s MET 18 N -2.90 4.42 0.91 0.07 1.00 -1.05 -5.05 119.30 116.70 1ot9 s MET 18 Ca 0.03 1.61 -0.11 0.00 0.00 0.00 0.00 55.69 57.21 1ot9 s MET 18 Cb 0.08 -3.49 0.20 0.00 0.00 0.00 0.00 34.83 31.62 1ot9 s MET 18 CO 0.77 -0.32 1.24 0.16 0.00 0.00 0.00 175.02 176.87 1ot9 s ASP 19 N 1.24 3.28 0.27 3.03 3.84 -1.26 -4.77 116.67 122.30 1ot9 s ASP 19 Ca 0.55 -0.06 -0.01 0.00 -0.00 0.00 0.00 52.55 53.03 1ot9 s ASP 19 Cb -0.24 0.01 0.51 0.00 -1.38 0.00 0.00 42.92 41.82 1ot9 s ASP 19 CO 0.24 -2.60 1.81 0.44 -0.00 0.00 0.00 175.17 175.06 1ot9 h ASP 20 N -1.38 0.77 -0.76 2.11 3.32 -1.99 -1.28 116.42 117.21 1ot9 h ASP 20 Ca -0.41 0.06 0.03 0.00 0.02 0.00 0.00 57.03 56.73 1ot9 h ASP 20 Cb 1.23 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 1ot9 h ASP 20 CO 0.34 0.40 0.49 1.23 -1.72 0.00 0.00 179.24 179.97 1ot9 h GLY 21 N 0.85 1.10 1.70 2.75 0.00 -2.00 -2.31 103.07 105.15 1ot9 h GLY 21 Ca 0.46 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 47.23 1ot9 h GLY 21 CO -0.28 0.33 -0.83 1.46 0.00 0.00 0.00 176.54 177.21 1ot9 h GLN 22 N 0.96 0.28 -0.11 4.80 4.20 -1.71 -2.82 115.11 120.72 1ot9 h GLN 22 Ca 0.30 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1ot9 h GLN 22 Cb -0.02 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ot9 h GLN 22 CO -0.10 0.96 -0.11 1.25 -0.67 0.00 0.00 178.83 180.16 1ot9 h LEU 23 N 0.17 0.15 -0.75 1.46 5.85 -0.86 -1.70 115.31 119.62 1ot9 h LEU 23 Ca -0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ot9 h LEU 23 Cb 1.44 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1ot9 h LEU 23 CO 0.13 0.29 0.00 0.47 -0.34 0.00 0.00 178.44 179.00 1ot9 n ASP 24 N -4.32 0.48 -0.27 1.25 8.00 -0.91 -2.24 116.55 118.54 1ot9 n ASP 24 Ca -0.01 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.28 1ot9 n ASP 24 Cb 0.24 -0.74 0.43 0.00 -0.02 0.00 0.00 41.12 41.02 1ot9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ot9 n GLY 25 N -0.53 -0.55 3.76 0.44 0.00 -0.64 -4.61 105.19 103.06 1ot9 n GLY 25 Ca 0.01 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1ot9 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ot9 s LEU 26 N -2.41 3.67 0.24 0.99 1.43 -0.95 0.50 118.68 122.15 1ot9 s LEU 26 Ca 0.27 2.34 0.23 0.00 -1.03 0.00 0.00 54.13 55.94 1ot9 s LEU 26 Cb 0.20 -4.59 0.96 0.00 0.03 0.00 0.00 46.19 42.78 1ot9 s LEU 26 CO 0.48 -1.53 1.71 0.00 0.23 0.00 0.00 176.35 177.24 1ot9 n ALA 27 N -1.57 1.71 -2.30 4.21 0.00 -1.26 -4.72 120.51 116.58 1ot9 n ALA 27 Ca 0.13 0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 1ot9 n ALA 27 Cb 0.50 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 1ot9 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ot9 s PHE 28 N -3.29 1.44 0.33 0.00 -0.12 -1.26 -5.03 117.98 110.06 1ot9 s PHE 28 Ca 0.05 -0.90 -0.28 0.00 -0.05 0.00 0.00 56.93 55.76 1ot9 s PHE 28 Cb 0.10 -0.81 -0.09 0.00 -0.63 0.00 0.00 43.02 41.58 1ot9 s PHE 28 CO 0.40 -0.03 1.16 0.20 -0.05 0.00 0.00 175.22 176.90 1ot9 s GLY 29 N -3.25 2.97 -0.04 1.99 0.00 0.78 -4.60 107.32 105.17 1ot9 s GLY 29 Ca 0.25 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.95 1ot9 s GLY 29 CO 0.06 1.57 0.07 0.00 0.00 0.00 0.00 173.10 174.80 1ot9 s ALA 30 N -1.26 -0.03 -0.07 3.20 0.00 -1.26 -0.97 121.76 121.37 1ot9 s ALA 30 Ca 0.50 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1ot9 s ALA 30 Cb -0.33 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1ot9 s ALA 30 CO 0.42 -0.15 -0.15 0.42 0.00 0.00 0.00 175.76 176.31 1ot9 s ILE 31 N 1.17 1.30 -0.18 0.00 1.01 0.14 -1.04 121.20 123.60 1ot9 s ILE 31 Ca -0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 1ot9 s ILE 31 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1ot9 s ILE 31 CO -0.04 0.39 0.02 -1.58 0.00 0.00 0.00 174.94 173.73 1ot9 s GLN 32 N 0.51 3.80 0.03 2.79 0.74 -0.39 -0.65 119.66 126.50 1ot9 s GLN 32 Ca -0.13 -0.43 0.05 0.00 0.05 0.00 0.00 55.36 54.89 1ot9 s GLN 32 Cb -0.15 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 1ot9 s GLN 32 CO 0.04 0.19 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.36 1ot9 s LEU 33 N 0.56 3.00 0.91 3.68 1.43 0.71 -0.31 118.68 128.66 1ot9 s LEU 33 Ca 0.01 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 1ot9 s LEU 33 Cb -0.13 -1.75 0.17 0.00 0.03 0.00 0.00 46.19 44.50 1ot9 s LEU 33 CO 0.02 0.25 1.27 1.51 0.23 0.00 0.00 176.35 179.63 1ot9 s ASP 34 N -1.59 3.47 0.58 2.29 1.47 -0.24 -0.81 116.67 121.84 1ot9 s ASP 34 Ca 0.17 0.31 0.34 0.00 1.18 0.00 0.00 52.55 54.56 1ot9 s ASP 34 Cb -0.11 -0.47 1.81 0.00 -0.34 0.00 0.00 42.92 43.82 1ot9 s ASP 34 CO 0.08 -2.51 2.19 1.23 0.68 0.00 0.00 175.17 176.84 1ot9 h GLY 35 N -1.44 0.00 0.84 2.12 0.00 -1.91 0.47 103.07 103.15 1ot9 h GLY 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1ot9 h GLY 35 CO 0.43 0.00 -0.18 1.22 0.00 0.00 0.00 176.54 178.02 1ot9 n ASP 36 N -3.41 0.57 0.00 0.19 8.00 -1.26 -4.92 116.55 115.71 1ot9 n ASP 36 Ca -0.02 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1ot9 n ASP 36 Cb 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1ot9 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ot9 n GLY 37 N 1.33 0.64 3.75 0.44 0.00 0.15 -4.91 105.19 106.60 1ot9 n GLY 37 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1ot9 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ot9 s ASN 38 N -2.96 7.05 -0.15 1.61 0.01 -1.26 -0.69 114.94 118.55 1ot9 s ASN 38 Ca 0.00 2.38 -0.29 0.00 -0.71 0.00 0.00 52.86 54.24 1ot9 s ASN 38 Cb 0.00 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 39.03 1ot9 s ASN 38 CO 0.00 -0.35 1.01 -0.63 -1.51 0.00 0.00 177.10 175.62 1ot9 s ILE 39 N -0.70 4.75 -0.21 0.60 1.01 -0.12 -1.08 121.20 125.45 1ot9 s ILE 39 Ca 0.49 2.02 -0.00 0.00 0.00 0.00 0.00 60.65 63.16 1ot9 s ILE 39 Cb -0.35 -4.30 -0.20 0.00 0.01 0.00 0.00 42.46 37.62 1ot9 s ILE 39 CO 0.42 -0.06 -0.02 0.18 0.00 0.00 0.00 174.94 175.46 1ot9 n LEU 40 N 5.47 2.77 -3.97 2.97 4.77 0.57 -0.36 117.00 129.22 1ot9 n LEU 40 Ca 0.10 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1ot9 n LEU 40 Cb 0.48 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1ot9 n LEU 40 CO 0.52 0.90 -0.31 -1.10 -1.33 0.00 0.00 177.39 176.07 1ot9 s GLN 41 N -2.53 0.42 -0.28 3.23 -0.21 -1.10 -4.89 119.66 114.29 1ot9 s GLN 41 Ca -0.30 -0.68 -0.04 0.00 0.02 0.00 0.00 55.36 54.36 1ot9 s GLN 41 Cb 0.08 0.16 0.16 0.00 1.00 0.00 0.00 33.01 34.41 1ot9 s GLN 41 CO 0.66 -0.08 0.57 -0.47 -2.12 0.00 0.00 175.29 173.84 1ot9 s TYR 42 N -1.95 -1.38 0.61 0.91 6.14 -1.26 -1.26 117.35 119.15 1ot9 s TYR 42 Ca -0.11 1.71 0.01 0.00 0.64 0.00 0.00 57.07 59.33 1ot9 s TYR 42 Cb -0.06 0.52 0.07 0.00 0.42 0.00 0.00 41.96 42.91 1ot9 s TYR 42 CO -0.02 -0.78 0.84 0.54 0.64 0.00 0.00 175.55 176.77 1ot9 s ASN 43 N 2.81 4.96 0.21 4.32 4.22 -0.20 -4.75 114.94 126.51 1ot9 s ASN 43 Ca 0.12 -0.21 -0.09 0.00 -2.14 0.00 0.00 52.86 50.54 1ot9 s ASN 43 Cb -0.14 -0.48 0.23 0.00 1.28 0.00 0.00 41.25 42.13 1ot9 s ASN 43 CO -0.19 -1.39 1.84 0.00 -2.04 0.00 0.00 177.10 175.32 1ot9 h ALA 44 N -0.10 0.95 -0.78 3.54 0.00 -1.85 -1.94 119.26 119.08 1ot9 h ALA 44 Ca -0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1ot9 h ALA 44 Cb 1.29 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1ot9 h ALA 44 CO 0.47 0.18 0.35 0.00 0.00 0.00 0.00 179.25 180.25 1ot9 h ALA 45 N 1.33 1.15 -0.16 0.00 0.00 -1.83 -0.28 119.26 119.47 1ot9 h ALA 45 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ot9 h ALA 45 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ot9 h ALA 45 CO -0.14 0.63 0.03 1.49 0.00 0.00 0.00 179.25 181.27 1ot9 h GLU 46 N 1.11 0.26 -0.76 0.00 4.57 -1.69 -1.68 114.58 116.40 1ot9 h GLU 46 Ca 0.27 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1ot9 h GLU 46 Cb 0.15 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 1ot9 h GLU 46 CO -0.03 0.42 0.50 0.78 -1.18 0.00 0.00 179.01 179.50 1ot9 h GLY 47 N 0.06 0.95 1.26 1.92 0.00 -0.66 -0.55 103.07 106.04 1ot9 h GLY 47 Ca 0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1ot9 h GLY 47 CO 0.00 0.16 -0.26 -0.55 0.00 0.00 0.00 176.54 175.89 1ot9 h ASP 48 N 0.66 0.87 -0.08 0.19 5.19 -0.59 0.14 116.42 122.80 1ot9 h ASP 48 Ca 0.35 -0.34 -0.20 0.00 -0.62 0.00 0.00 57.03 56.23 1ot9 h ASP 48 Cb 0.47 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1ot9 h ASP 48 CO -0.13 1.08 -0.67 0.40 -3.12 0.00 0.00 179.24 176.81 1ot9 h ILE 49 N 0.72 1.30 0.00 0.35 2.04 -0.42 -3.37 117.51 118.13 1ot9 h ILE 49 Ca 0.09 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1ot9 h ILE 49 Cb 0.81 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1ot9 h ILE 49 CO 0.07 0.60 -1.39 0.35 0.00 0.00 0.00 178.15 177.78 1ot9 n THR 50 N -3.94 0.00 -0.33 -0.27 -2.24 -0.30 -4.99 114.28 102.20 1ot9 n THR 50 Ca -0.05 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1ot9 n THR 50 Cb 0.68 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1ot9 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ot9 n GLY 51 N 1.45 1.83 3.78 3.38 0.00 0.47 -4.97 105.19 111.14 1ot9 n GLY 51 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1ot9 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ot9 s ARG 52 N -0.18 4.03 -0.30 1.61 3.00 -1.24 -5.00 118.95 120.88 1ot9 s ARG 52 Ca 0.00 1.54 -0.19 0.00 0.00 0.00 0.00 55.73 57.08 1ot9 s ARG 52 Cb 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 34.95 32.48 1ot9 s ARG 52 CO 0.00 -0.26 0.56 0.34 0.00 0.00 0.00 175.30 175.94 1ot9 s ASP 53 N -1.59 6.43 0.23 0.23 3.68 -1.26 -4.41 116.67 119.99 1ot9 s ASP 53 Ca 0.60 0.37 -0.06 0.00 2.13 0.00 0.00 52.55 55.59 1ot9 s ASP 53 Cb -0.22 -2.30 0.39 0.00 -1.45 0.00 0.00 42.92 39.34 1ot9 s ASP 53 CO 0.28 -0.40 1.73 -0.65 0.13 0.00 0.00 175.17 176.26 1ot9 h PRO 54 N 8.18 0.39 0.00 4.34 0.11 -1.89 -0.32 132.00 142.81 1ot9 h PRO 54 Ca -0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1ot9 h PRO 54 Cb 1.13 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ot9 h PRO 54 CO 0.76 0.26 -0.10 0.87 -0.21 0.00 0.00 178.00 179.58 1ot9 h LYS 55 N 0.40 0.00 0.00 1.05 1.57 -1.94 -2.45 116.57 115.21 1ot9 h LYS 55 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1ot9 h LYS 55 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ot9 h LYS 55 CO -0.38 0.10 -0.43 1.04 -0.57 0.00 0.00 179.45 179.21 1ot9 n GLN 56 N -3.37 0.18 -0.00 3.15 6.02 -0.15 -3.91 117.38 119.29 1ot9 n GLN 56 Ca -0.01 0.07 0.08 0.00 -0.01 0.00 0.00 57.00 57.14 1ot9 n GLN 56 Cb 0.28 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 29.79 1ot9 n GLN 56 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ot9 n VAL 57 N -1.92 0.00 -1.83 5.09 0.24 -0.95 -4.84 118.33 114.13 1ot9 n VAL 57 Ca 0.05 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1ot9 n VAL 57 Cb 0.40 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.42 1ot9 n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ot9 s ILE 58 N -2.80 2.37 0.00 1.34 1.01 -1.04 -0.96 121.20 121.13 1ot9 s ILE 58 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1ot9 s ILE 58 Cb 0.12 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1ot9 s ILE 58 CO 0.70 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1ot9 n GLY 59 N 3.90 1.92 3.90 6.18 0.00 0.52 -4.98 105.19 116.62 1ot9 n GLY 59 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1ot9 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ot9 s LYS 60 N -0.75 3.19 -0.20 1.61 1.02 -0.13 -4.66 119.74 119.81 1ot9 s LYS 60 Ca 0.00 0.29 -0.23 0.00 0.02 0.00 0.00 55.97 56.05 1ot9 s LYS 60 Cb 0.00 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1ot9 s LYS 60 CO 0.00 -0.62 0.76 1.21 -0.92 0.00 0.00 175.35 175.77 1ot9 s ASN 61 N -4.24 6.82 0.19 2.83 3.84 -1.26 -0.95 114.94 122.17 1ot9 s ASN 61 Ca 0.53 1.01 -0.12 0.00 0.21 0.00 0.00 52.86 54.49 1ot9 s ASN 61 Cb -0.11 -2.41 0.15 0.00 -0.55 0.00 0.00 41.25 38.33 1ot9 s ASN 61 CO 0.48 -0.39 1.82 0.15 -2.79 0.00 0.00 177.10 176.37 1ot9 h PHE 62 N 7.50 0.65 0.00 0.43 3.57 -1.25 -0.95 116.94 126.89 1ot9 h PHE 62 Ca -0.28 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.01 1ot9 h PHE 62 Cb 1.12 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1ot9 h PHE 62 CO 0.73 0.36 -1.27 0.74 -2.23 0.00 0.00 178.31 176.63 1ot9 h PHE 63 N 0.68 0.00 0.05 0.41 0.04 -1.82 0.25 116.94 116.55 1ot9 h PHE 63 Ca 0.24 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.69 1ot9 h PHE 63 Cb 0.06 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1ot9 h PHE 63 CO -0.06 0.93 -1.87 1.17 -0.60 0.00 0.00 178.31 177.88 1ot9 n LYS 64 N -3.19 0.68 0.00 1.51 4.81 -1.21 -4.08 118.16 116.68 1ot9 n LYS 64 Ca -0.07 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ot9 n LYS 64 Cb 0.96 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 34.27 1ot9 n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ot9 n ASP 65 N -3.20 2.27 0.10 3.14 8.00 -0.40 -4.77 116.55 121.69 1ot9 n ASP 65 Ca -0.24 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.04 1ot9 n ASP 65 Cb 1.05 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 42.01 1ot9 n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ot9 h VAL 66 N 0.00 1.33 -2.08 2.53 2.07 -1.43 -3.42 116.25 115.25 1ot9 h VAL 66 Ca 0.00 -2.52 -0.52 0.00 0.82 0.00 0.00 66.70 64.47 1ot9 h VAL 66 Cb 0.80 2.89 -0.41 0.00 -1.52 0.00 0.00 31.29 33.06 1ot9 h VAL 66 CO 0.00 0.75 -1.02 0.00 0.02 0.00 0.00 177.57 177.33 1ot9 n ALA 67 N -2.69 2.84 0.23 1.67 0.00 0.88 -4.94 120.51 118.51 1ot9 n ALA 67 Ca -0.15 -3.81 0.18 0.00 0.00 0.00 0.00 53.44 49.66 1ot9 n ALA 67 Cb 0.98 -0.86 0.87 0.00 0.00 0.00 0.00 19.45 20.43 1ot9 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ot9 h PRO 68 N 3.15 0.00 0.00 0.00 0.13 -1.75 -1.01 132.00 132.53 1ot9 h PRO 68 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ot9 h PRO 68 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ot9 h PRO 68 CO 0.60 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1ot9 n THR 70 N -3.60 0.00 -2.35 0.00 -2.24 -0.38 -4.56 114.28 101.14 1ot9 n THR 70 Ca -0.03 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1ot9 n THR 70 Cb 0.08 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1ot9 n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ot9 s ASP 71 N -2.66 6.02 0.00 3.42 2.15 -0.27 -1.15 116.67 124.18 1ot9 s ASP 71 Ca 0.20 -2.00 -0.26 0.00 0.43 0.00 0.00 52.55 50.92 1ot9 s ASP 71 Cb 0.19 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.29 1ot9 s ASP 71 CO 0.57 -2.02 0.59 -0.94 -0.17 0.00 0.00 175.17 173.20 1ot9 s SER 72 N 5.34 -0.54 0.55 -0.34 1.04 -1.26 -4.97 113.70 113.51 1ot9 s SER 72 Ca 0.60 0.43 0.27 0.00 0.48 0.00 0.00 55.95 57.72 1ot9 s SER 72 Cb 0.01 0.51 1.46 0.00 0.10 0.00 0.00 66.02 68.11 1ot9 s SER 72 CO 0.09 -0.66 2.00 -0.65 0.98 0.00 0.00 173.24 174.99 1ot9 h PRO 73 N 2.92 0.00 0.00 4.02 0.11 -1.94 -0.84 132.00 136.27 1ot9 h PRO 73 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ot9 h PRO 73 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ot9 h PRO 73 CO 0.40 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.58 1ot9 n GLU 74 N -4.14 0.03 0.00 1.05 4.71 -1.26 -3.12 120.64 117.91 1ot9 n GLU 74 Ca 0.08 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.37 1ot9 n GLU 74 Cb 0.57 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1ot9 n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ot9 n PHE 75 N -1.58 0.00 -0.35 -0.32 -0.00 -0.88 -4.76 117.46 109.56 1ot9 n PHE 75 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.60 1ot9 n PHE 75 Cb 0.27 0.19 0.28 0.00 -0.00 0.00 0.00 39.48 40.22 1ot9 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ot9 h TYR 76 N 0.00 1.09 -0.90 -5.13 3.20 -0.56 -1.43 116.97 113.24 1ot9 h TYR 76 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1ot9 h TYR 76 Cb 0.00 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 37.89 1ot9 h TYR 76 CO 0.00 0.36 0.59 0.78 -1.64 0.00 0.00 178.16 178.25 1ot9 h GLY 77 N 0.88 1.27 0.90 1.82 0.00 -1.15 0.68 103.07 107.47 1ot9 h GLY 77 Ca 0.53 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1ot9 h GLY 77 CO -0.31 0.47 0.03 0.50 0.00 0.00 0.00 176.54 177.23 1ot9 h LYS 78 N 1.22 0.56 -0.05 4.80 1.57 -1.23 -2.06 116.57 121.38 1ot9 h LYS 78 Ca 0.33 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1ot9 h LYS 78 Cb -0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1ot9 h LYS 78 CO -0.07 0.67 -0.13 0.35 -0.57 0.00 0.00 179.45 179.70 1ot9 h PHE 79 N 0.38 -0.32 0.00 -1.35 3.57 -0.65 -1.79 116.94 116.78 1ot9 h PHE 79 Ca 0.10 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1ot9 h PHE 79 Cb 0.40 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1ot9 h PHE 79 CO 0.03 -0.19 -0.53 1.57 -2.23 0.00 0.00 178.31 176.96 1ot9 h LYS 80 N -0.19 0.00 -0.58 1.11 5.09 -0.84 0.11 116.57 121.27 1ot9 h LYS 80 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.79 1ot9 h LYS 80 Cb 0.27 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.58 1ot9 h LYS 80 CO -0.16 0.53 0.34 1.49 -2.09 0.00 0.00 179.45 179.56 1ot9 h GLU 81 N 0.00 0.80 -0.43 0.07 4.22 -1.19 0.39 114.58 118.44 1ot9 h GLU 81 Ca -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 59.36 59.33 1ot9 h GLU 81 Cb 1.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1ot9 h GLU 81 CO 0.07 0.59 0.17 0.78 -2.18 0.00 0.00 179.01 178.44 1ot9 h GLY 82 N 0.79 0.69 1.02 1.92 0.00 -0.46 -0.74 103.07 106.28 1ot9 h GLY 82 Ca 0.21 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1ot9 h GLY 82 CO -0.04 0.35 0.15 -2.08 0.00 0.00 0.00 176.54 174.93 1ot9 h VAL 83 N 0.55 1.25 -0.32 4.60 2.07 -0.63 0.23 116.25 124.00 1ot9 h VAL 83 Ca 0.14 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1ot9 h VAL 83 Cb 0.19 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1ot9 h VAL 83 CO -0.01 0.34 -0.10 0.00 0.02 0.00 0.00 177.57 177.81 1ot9 h ALA 84 N 1.04 1.22 0.00 1.67 0.00 -0.67 -2.91 119.26 119.62 1ot9 h ALA 84 Ca 0.19 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1ot9 h ALA 84 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ot9 h ALA 84 CO 0.00 0.50 -0.93 0.77 0.00 0.00 0.00 179.25 179.59 1ot9 h SER 85 N 0.51 0.00 0.00 0.00 0.02 -0.82 -3.48 113.55 109.78 1ot9 h SER 85 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ot9 h SER 85 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1ot9 h SER 85 CO 0.03 0.73 0.00 0.61 -1.14 0.00 0.00 176.83 177.06 1ot9 n GLY 86 N 1.33 0.47 3.09 -3.77 0.00 0.74 -5.05 105.19 102.01 1ot9 n GLY 86 Ca -0.02 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1ot9 n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ot9 s ASN 87 N -2.89 -0.30 -0.19 1.61 0.01 -0.86 -5.04 114.94 107.28 1ot9 s ASN 87 Ca 0.00 0.58 -0.10 0.00 -0.71 0.00 0.00 52.86 52.63 1ot9 s ASN 87 Cb 0.00 0.47 0.07 0.00 0.41 0.00 0.00 41.25 42.20 1ot9 s ASN 87 CO 0.00 -0.16 0.45 -0.22 -1.51 0.00 0.00 177.10 175.66 1ot9 s LEU 88 N 1.20 -0.29 -0.31 0.60 2.96 -1.26 -4.31 118.68 117.26 1ot9 s LEU 88 Ca -0.09 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.88 1ot9 s LEU 88 Cb -0.09 1.50 0.20 0.00 0.50 0.00 0.00 46.19 48.29 1ot9 s LEU 88 CO -0.08 -0.20 0.62 0.21 -1.32 0.00 0.00 176.35 175.57 1ot9 s ASN 89 N 1.60 -1.56 -0.07 3.68 2.47 -1.23 -1.24 114.94 118.58 1ot9 s ASN 89 Ca -0.09 -0.01 -0.10 0.00 0.42 0.00 0.00 52.86 53.08 1ot9 s ASN 89 Cb -0.08 1.98 0.02 0.00 -1.45 0.00 0.00 41.25 41.72 1ot9 s ASN 89 CO -0.14 -0.26 0.26 0.28 -3.72 0.00 0.00 177.10 173.52 1ot9 s THR 90 N 2.63 0.02 -0.03 -5.21 -1.32 -0.45 -5.00 115.64 106.29 1ot9 s THR 90 Ca 0.12 -0.19 0.02 0.00 -1.21 0.00 0.00 61.69 60.43 1ot9 s THR 90 Cb -0.08 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 1ot9 s THR 90 CO -0.22 -0.11 -0.09 -0.32 -2.21 0.00 0.00 174.62 171.68 1ot9 s MET 91 N -0.37 0.93 -0.05 7.08 1.75 -1.26 -0.71 119.30 126.68 1ot9 s MET 91 Ca -0.05 -0.29 -0.30 0.00 -1.25 0.00 0.00 55.69 53.80 1ot9 s MET 91 Cb -0.03 -0.87 0.08 0.00 2.84 0.00 0.00 34.83 36.84 1ot9 s MET 91 CO 0.01 0.11 0.71 -0.59 -0.65 0.00 0.00 175.02 174.61 1ot9 s PHE 92 N 0.20 -0.62 0.42 4.11 -0.71 -0.19 -4.99 117.98 116.20 1ot9 s PHE 92 Ca -0.03 1.02 -0.18 0.00 -1.04 0.00 0.00 56.93 56.70 1ot9 s PHE 92 Cb -0.08 0.42 -0.10 0.00 -1.21 0.00 0.00 43.02 42.06 1ot9 s PHE 92 CO 0.00 -0.60 0.89 -1.21 -1.34 0.00 0.00 175.22 172.97 1ot9 s GLU 93 N -1.36 4.09 0.12 1.99 2.02 -1.26 -0.34 118.70 123.96 1ot9 s GLU 93 Ca -0.09 0.93 -0.16 0.00 0.02 0.00 0.00 54.97 55.67 1ot9 s GLU 93 Cb -0.00 -2.25 0.03 0.00 0.10 0.00 0.00 34.13 32.01 1ot9 s GLU 93 CO 0.07 -0.03 0.39 -0.47 0.02 0.00 0.00 175.26 175.25 1ot9 s TYR 94 N -2.23 -0.19 -0.14 1.61 5.04 -0.34 -4.90 117.35 116.19 1ot9 s TYR 94 Ca 0.59 -0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1ot9 s TYR 94 Cb -0.10 0.24 -0.01 0.00 0.35 0.00 0.00 41.96 42.45 1ot9 s TYR 94 CO 0.19 -0.69 -0.13 0.99 -1.34 0.00 0.00 175.55 174.57 1ot9 s THR 95 N -3.75 3.00 -0.25 4.34 2.01 -1.26 -0.78 115.64 118.95 1ot9 s THR 95 Ca 0.03 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 1ot9 s THR 95 Cb 0.02 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1ot9 s THR 95 CO -0.12 0.51 0.38 -0.36 -0.69 0.00 0.00 174.62 174.35 1ot9 s PHE 96 N 0.56 3.28 0.00 4.92 0.08 -0.03 -4.90 117.98 121.89 1ot9 s PHE 96 Ca -0.08 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.44 1ot9 s PHE 96 Cb -0.16 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 1ot9 s PHE 96 CO 0.03 -0.17 0.78 -0.40 -0.10 0.00 0.00 175.22 175.36 1ot9 n ASP 97 N 5.12 0.00 -4.63 1.36 5.68 -1.26 -0.92 116.55 121.90 1ot9 n ASP 97 Ca -0.08 -1.60 -0.40 0.00 -0.50 0.00 0.00 54.79 52.20 1ot9 n ASP 97 Cb 0.51 -0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 40.30 1ot9 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ot9 s TYR 98 N 0.00 3.29 -1.67 2.11 5.04 -1.26 -4.16 117.35 120.70 1ot9 s TYR 98 Ca 0.00 0.80 -0.17 0.00 -2.44 0.00 0.00 57.07 55.26 1ot9 s TYR 98 Cb 0.00 -2.82 0.14 0.00 0.35 0.00 0.00 41.96 39.63 1ot9 s TYR 98 CO 0.00 -0.30 0.80 1.04 -1.34 0.00 0.00 175.55 175.75 1ot9 n GLN 99 N 5.62 -3.49 -3.72 4.97 1.13 -1.26 -4.93 117.38 115.70 1ot9 n GLN 99 Ca -0.01 0.40 -0.10 0.00 -1.94 0.00 0.00 57.00 55.36 1ot9 n GLN 99 Cb 0.49 -5.12 -0.03 0.00 0.11 0.00 0.00 30.24 25.68 1ot9 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ot9 s MET 100 N -6.87 1.40 0.21 -1.09 0.23 -1.26 -5.12 119.30 106.80 1ot9 s MET 100 Ca 0.70 -0.84 -0.31 0.00 -1.03 0.00 0.00 55.69 54.21 1ot9 s MET 100 Cb -0.38 0.53 -0.10 0.00 -1.53 0.00 0.00 34.83 33.36 1ot9 s MET 100 CO 0.91 -0.60 1.47 0.99 -2.03 0.00 0.00 175.02 175.77 1ot9 s THR 101 N -3.87 2.72 0.10 3.16 2.01 -1.26 -4.78 115.64 113.72 1ot9 s THR 101 Ca 0.09 0.57 -0.34 0.00 0.31 0.00 0.00 61.69 62.32 1ot9 s THR 101 Cb -0.01 -3.36 -0.13 0.00 0.01 0.00 0.00 72.50 69.01 1ot9 s THR 101 CO -0.03 0.07 1.67 -2.65 -0.69 0.00 0.00 174.62 172.99 1ot9 n PRO 102 N 2.98 2.23 -3.91 4.92 -0.02 -1.26 -4.76 135.00 135.18 1ot9 n PRO 102 Ca 0.09 0.81 -0.27 0.00 -2.02 0.00 0.00 63.50 62.11 1ot9 n PRO 102 Cb 0.40 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 31.10 1ot9 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ot9 s THR 103 N 1.77 1.08 -0.04 3.45 2.01 -0.09 -4.96 115.64 118.86 1ot9 s THR 103 Ca 0.82 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1ot9 s THR 103 Cb -0.66 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1ot9 s THR 103 CO 0.41 0.35 0.98 -0.75 -0.69 0.00 0.00 174.62 174.92 1ot9 s LYS 104 N 1.68 4.51 0.16 4.92 2.20 -1.26 -0.85 119.74 131.10 1ot9 s LYS 104 Ca 0.05 1.39 0.03 0.00 -0.36 0.00 0.00 55.97 57.07 1ot9 s LYS 104 Cb -0.13 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1ot9 s LYS 104 CO -0.08 -0.14 -0.03 0.14 -0.36 0.00 0.00 175.35 174.87 1ot9 s VAL 105 N 1.36 0.83 -0.21 4.02 -7.23 0.04 -2.58 120.40 116.63 1ot9 s VAL 105 Ca 0.50 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.59 1ot9 s VAL 105 Cb -0.20 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1ot9 s VAL 105 CO 0.24 -0.58 0.09 -0.75 -0.31 0.00 0.00 175.10 173.80 1ot9 s LYS 106 N -3.86 3.97 -0.08 4.82 2.20 0.27 -1.20 119.74 125.86 1ot9 s LYS 106 Ca 0.21 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1ot9 s LYS 106 Cb 0.05 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 1ot9 s LYS 106 CO 0.02 0.15 -0.14 0.08 -0.36 0.00 0.00 175.35 175.11 1ot9 s VAL 107 N 0.74 3.08 -0.17 4.02 1.01 0.54 -1.37 120.40 128.25 1ot9 s VAL 107 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1ot9 s VAL 107 Cb -0.13 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1ot9 s VAL 107 CO 0.02 0.56 -0.12 -2.28 0.00 0.00 0.00 175.10 173.28 1ot9 s HIS 108 N -0.26 2.24 -0.14 5.22 2.46 0.12 -1.02 115.29 123.91 1ot9 s HIS 108 Ca 0.02 -1.37 -0.05 0.00 0.47 0.00 0.00 55.06 54.13 1ot9 s HIS 108 Cb -0.13 -1.59 -0.03 0.00 -0.13 0.00 0.00 32.58 30.69 1ot9 s HIS 108 CO 0.03 -0.70 0.02 -1.64 -2.47 0.00 0.00 174.74 169.98 1ot9 s MET 109 N 1.46 3.57 -0.13 2.88 -1.94 0.12 -0.53 119.30 124.72 1ot9 s MET 109 Ca 0.02 -0.40 -0.08 0.00 -1.71 0.00 0.00 55.69 53.52 1ot9 s MET 109 Cb -0.14 -3.00 0.05 0.00 2.01 0.00 0.00 34.83 33.74 1ot9 s MET 109 CO -0.09 0.42 0.32 0.21 -0.01 0.00 0.00 175.02 175.87 1ot9 s LYS 110 N -0.09 0.31 0.30 2.03 2.20 -0.45 -1.34 119.74 122.69 1ot9 s LYS 110 Ca 0.05 0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.96 1ot9 s LYS 110 Cb -0.13 -0.02 -0.10 0.00 -1.51 0.00 0.00 37.83 36.07 1ot9 s LYS 110 CO 0.02 -0.13 1.44 0.21 -0.36 0.00 0.00 175.35 176.52 1ot9 s LYS 111 N 1.06 4.23 0.65 4.03 2.20 -0.38 -0.30 119.74 131.24 1ot9 s LYS 111 Ca -0.07 2.38 -0.16 0.00 -0.36 0.00 0.00 55.97 57.76 1ot9 s LYS 111 Cb -0.08 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1ot9 s LYS 111 CO -0.08 -0.42 1.13 0.00 -0.36 0.00 0.00 175.35 175.62 1ot9 s ALA 112 N -0.49 2.46 0.16 3.13 0.00 0.06 -4.81 121.76 122.28 1ot9 s ALA 112 Ca 0.56 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.94 1ot9 s ALA 112 Cb -0.43 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.40 1ot9 s ALA 112 CO 0.50 -1.26 1.61 1.25 0.00 0.00 0.00 175.76 177.86 1ot9 h LEU 113 N 0.20 -0.92 -9.63 0.00 7.12 -1.88 -3.45 115.31 106.75 1ot9 h LEU 113 Ca -0.47 0.17 -0.57 0.00 0.13 0.00 0.00 57.88 57.13 1ot9 h LEU 113 Cb 1.26 0.44 -0.10 0.00 -0.53 0.00 0.00 40.66 41.73 1ot9 h LEU 113 CO 0.54 -0.30 -0.61 -0.94 -0.13 0.00 0.00 178.44 177.01 1ot9 s SER 114 N -5.06 4.31 0.92 1.25 1.04 -1.26 -5.00 113.70 109.90 1ot9 s SER 114 Ca -0.15 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1ot9 s SER 114 Cb 0.13 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1ot9 s SER 114 CO 0.68 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.30 1ot9 n GLY 115 N -0.98 2.85 2.19 7.32 0.00 -1.26 -4.18 105.19 111.13 1ot9 n GLY 115 Ca -0.04 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1ot9 n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ot9 n ASP 116 N 0.71 0.16 -4.23 1.61 2.03 -1.26 -5.02 116.55 110.56 1ot9 n ASP 116 Ca 0.00 -2.70 -0.14 0.00 0.52 0.00 0.00 54.79 52.47 1ot9 n ASP 116 Cb 0.00 -0.63 -0.10 0.00 -0.72 0.00 0.00 41.12 39.67 1ot9 n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ot9 s SER 117 N -1.20 1.67 -0.03 1.67 1.04 -1.26 -3.84 113.70 111.75 1ot9 s SER 117 Ca 0.35 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.82 1ot9 s SER 117 Cb 0.17 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1ot9 s SER 117 CO -0.11 -0.33 -0.04 -0.31 0.98 0.00 0.00 173.24 173.43 1ot9 s TYR 118 N -3.15 0.64 0.01 5.02 1.51 0.01 -0.76 117.35 120.62 1ot9 s TYR 118 Ca 0.14 -0.15 -0.10 0.00 -1.01 0.00 0.00 57.07 55.95 1ot9 s TYR 118 Cb 0.02 -0.55 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 1ot9 s TYR 118 CO -0.00 -0.13 0.33 -1.58 -1.11 0.00 0.00 175.55 173.06 1ot9 s TRP 119 N 0.65 3.63 -0.21 2.71 0.52 0.59 -0.21 118.94 126.61 1ot9 s TRP 119 Ca -0.08 0.76 0.00 0.00 0.02 0.00 0.00 56.10 56.80 1ot9 s TRP 119 Cb -0.11 -2.12 0.03 0.00 -1.15 0.00 0.00 33.47 30.11 1ot9 s TRP 119 CO -0.00 0.61 -0.14 0.08 0.02 0.00 0.00 176.95 177.52 1ot9 s VAL 120 N -1.23 2.36 -0.08 4.03 1.01 0.18 -1.35 120.40 125.32 1ot9 s VAL 120 Ca 0.26 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1ot9 s VAL 120 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1ot9 s VAL 120 CO 0.14 0.35 -0.03 -0.36 0.00 0.00 0.00 175.10 175.20 1ot9 s PHE 121 N 1.28 3.06 -0.01 5.22 0.08 0.31 -0.69 117.98 127.24 1ot9 s PHE 121 Ca 0.01 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1ot9 s PHE 121 Cb -0.15 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1ot9 s PHE 121 CO -0.09 0.41 -0.02 0.08 -0.10 0.00 0.00 175.22 175.50 1ot9 s VAL 122 N -0.86 0.20 0.03 -0.44 1.01 -0.14 -0.70 120.40 119.50 1ot9 s VAL 122 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1ot9 s VAL 122 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1ot9 s VAL 122 CO 0.02 0.08 -0.04 -1.59 0.00 0.00 0.00 175.10 173.58 1ot9 s LYS 123 N 0.26 0.42 0.43 2.72 -2.85 -0.47 -0.16 119.74 120.09 1ot9 s LYS 123 Ca -0.02 -0.80 -0.26 0.00 -1.00 0.00 0.00 55.97 53.90 1ot9 s LYS 123 Cb -0.05 0.09 -0.08 0.00 -2.06 0.00 0.00 37.83 35.73 1ot9 s LYS 123 CO -0.01 -0.06 1.36 1.03 0.10 0.00 0.00 175.35 177.78 1ot9 s ARG 124 N -2.15 3.82 0.00 1.78 0.52 -1.26 -0.56 118.95 121.09 1ot9 s ARG 124 Ca -0.09 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 1ot9 s ARG 124 Cb -0.05 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1ot9 s ARG 124 CO -0.03 -0.66 0.09 1.33 0.02 0.00 0.00 175.30 176.05