#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ote s ALA 5 N 0.00 3.57 0.16 2.33 0.00 -1.26 -4.74 121.76 121.81 1ote s ALA 5 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 51.96 51.54 1ote s ALA 5 Cb 0.00 -2.57 -0.15 0.00 0.00 0.00 0.00 23.12 20.40 1ote s ALA 5 CO 0.00 0.43 1.35 0.34 0.00 0.00 0.00 175.76 177.88 1ote n PHE 6 N 0.97 1.73 -0.85 0.00 -0.00 -1.26 -1.82 117.46 116.22 1ote n PHE 6 Ca -0.06 0.54 0.00 0.00 -0.00 0.00 0.00 57.45 57.93 1ote n PHE 6 Cb 0.52 -2.38 0.00 0.00 -0.00 0.00 0.00 39.48 37.61 1ote n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ote n GLY 7 N 2.48 0.70 3.71 7.13 0.00 -1.26 -5.03 105.19 112.92 1ote n GLY 7 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1ote n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ote n SER 8 N 0.00 2.31 0.25 1.61 7.64 -0.76 -4.87 113.62 119.81 1ote n SER 8 Ca 0.00 0.97 0.09 0.00 1.01 0.00 0.00 58.87 60.94 1ote n SER 8 Cb 0.00 -1.53 0.65 0.00 -1.01 0.00 0.00 64.21 62.32 1ote n SER 8 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1ote h GLU 9 N 1.36 0.00 -0.31 1.43 4.11 -1.95 -2.67 114.58 116.55 1ote h GLU 9 Ca -0.50 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.69 1ote h GLU 9 Cb 1.31 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.33 1ote h GLU 9 CO 0.56 0.09 -0.74 -0.40 0.07 0.00 0.00 179.01 178.59 1ote n ASP 10 N -4.19 2.73 -0.26 3.06 5.75 -1.26 -4.85 116.55 117.53 1ote n ASP 10 Ca -0.03 -3.43 0.10 0.00 -0.01 0.00 0.00 54.79 51.43 1ote n ASP 10 Cb 0.17 -0.43 0.36 0.00 -1.03 0.00 0.00 41.12 40.19 1ote n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ote h ILE 11 N 2.62 0.89 0.00 2.12 6.09 -1.84 0.87 117.51 128.26 1ote h ILE 11 Ca 0.09 -0.26 -0.03 0.00 -1.37 0.00 0.00 64.86 63.29 1ote h ILE 11 Cb 1.33 0.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.69 1ote h ILE 11 CO 0.30 0.14 -0.13 1.05 -3.07 0.00 0.00 178.15 176.43 1ote h GLU 12 N 0.75 0.00 -0.22 2.19 9.09 -1.88 -1.19 114.58 123.31 1ote h GLU 12 Ca 0.42 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.80 1ote h GLU 12 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.69 1ote h GLU 12 CO -0.19 0.13 -0.01 -0.91 0.05 0.00 0.00 179.01 178.08 1ote h ASN 13 N 0.00 0.39 -0.29 3.06 4.21 -1.22 -1.83 115.58 119.90 1ote h ASN 13 Ca -0.00 -0.32 -0.04 0.00 1.21 0.00 0.00 56.30 57.15 1ote h ASN 13 Cb 0.61 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1ote h ASN 13 CO 0.02 0.62 0.03 0.74 -1.29 0.00 0.00 177.43 177.54 1ote h THR 14 N 0.16 1.24 0.00 2.81 2.02 -1.38 -3.04 112.91 114.72 1ote h THR 14 Ca 0.06 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1ote h THR 14 Cb 0.42 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1ote h THR 14 CO 0.01 0.28 0.00 -0.07 0.37 0.00 0.00 175.52 176.11 1ote h LEU 15 N 0.31 0.00 -1.60 2.58 4.07 -1.24 -2.29 115.31 117.14 1ote h LEU 15 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ote h LEU 15 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1ote h LEU 15 CO 0.01 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.37 1ote h ALA 16 N 2.05 1.00 0.00 1.53 0.00 -1.20 -2.33 119.26 120.31 1ote h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ote h ALA 16 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ote h ALA 16 CO 0.00 0.00 -0.71 0.87 0.00 0.00 0.00 179.25 179.41 1ote h LYS 17 N 0.00 0.00 -6.00 0.00 1.57 -1.49 -3.48 116.57 107.17 1ote h LYS 17 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1ote h LYS 17 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1ote h LYS 17 CO 0.00 0.00 -0.13 -1.64 -0.57 0.00 0.00 179.45 177.11 1ote s MET 18 N -3.18 4.13 0.00 3.15 -1.94 -0.88 -5.09 119.30 115.48 1ote s MET 18 Ca 0.05 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.56 1ote s MET 18 Cb 0.13 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.68 1ote s MET 18 CO 0.74 0.52 0.00 -0.40 -0.01 0.00 0.00 175.02 175.86 1ote n ASP 19 N 2.34 0.00 -4.58 3.03 3.85 -1.26 -4.87 116.55 115.06 1ote n ASP 19 Ca -0.11 -0.45 -0.22 0.00 -0.71 0.00 0.00 54.79 53.30 1ote n ASP 19 Cb 0.52 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.20 1ote n ASP 19 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 1ote s ASP 20 N -1.00 4.30 0.00 -1.12 -4.77 -1.26 -2.40 116.67 110.42 1ote s ASP 20 Ca 0.00 -1.26 0.00 0.00 -3.30 0.00 0.00 52.55 47.99 1ote s ASP 20 Cb 0.00 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1ote s ASP 20 CO 0.00 -3.83 0.00 0.61 0.70 0.00 0.00 175.17 172.65 1ote n GLY 21 N 6.04 2.33 0.30 2.12 0.00 -1.26 -4.91 105.19 109.81 1ote n GLY 21 Ca 0.43 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1ote n GLY 21 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ote h GLN 22 N 0.00 0.60 -0.24 1.61 4.20 -1.91 -1.92 115.11 117.45 1ote h GLN 22 Ca 0.00 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1ote h GLN 22 Cb 0.00 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1ote h GLN 22 CO 0.00 0.49 -0.25 1.25 -0.67 0.00 0.00 178.83 179.65 1ote h LEU 23 N 0.61 0.46 -1.01 1.46 5.85 -1.81 -1.17 115.31 119.70 1ote h LEU 23 Ca 0.15 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ote h LEU 23 Cb 0.10 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1ote h LEU 23 CO -0.02 0.71 0.00 0.44 -0.34 0.00 0.00 178.44 179.23 1ote h ASP 24 N 0.41 0.00 -0.13 1.25 3.32 -1.64 -2.34 116.42 117.29 1ote h ASP 24 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ote h ASP 24 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1ote h ASP 24 CO 0.05 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1ote n GLY 25 N -0.34 0.36 3.76 2.75 0.00 -0.44 -4.64 105.19 106.65 1ote n GLY 25 Ca 0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1ote n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ote s LEU 26 N -1.72 3.65 0.00 0.99 1.43 -0.88 -4.92 118.68 117.21 1ote s LEU 26 Ca 0.34 2.25 0.28 0.00 -1.03 0.00 0.00 54.13 55.98 1ote s LEU 26 Cb 0.19 -4.58 1.32 0.00 0.03 0.00 0.00 46.19 43.14 1ote s LEU 26 CO 0.29 -1.48 1.95 0.00 0.23 0.00 0.00 176.35 177.34 1ote n ALA 27 N -1.64 2.35 -2.27 4.21 0.00 -1.26 -4.72 120.51 117.18 1ote n ALA 27 Ca 0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1ote n ALA 27 Cb 0.50 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 1ote n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ote s PHE 28 N -2.81 1.33 0.30 0.00 -0.12 -1.26 -5.04 117.98 110.37 1ote s PHE 28 Ca 0.20 -0.73 -0.29 0.00 -0.05 0.00 0.00 56.93 56.06 1ote s PHE 28 Cb 0.19 -0.66 -0.10 0.00 -0.63 0.00 0.00 43.02 41.81 1ote s PHE 28 CO 0.48 0.12 1.33 0.20 -0.05 0.00 0.00 175.22 177.31 1ote s GLY 29 N -3.17 2.79 -0.04 1.99 0.00 0.12 -4.62 107.32 104.37 1ote s GLY 29 Ca 0.17 1.26 -0.01 0.00 0.00 0.00 0.00 44.72 46.13 1ote s GLY 29 CO 0.01 2.01 0.04 0.00 0.00 0.00 0.00 173.10 175.16 1ote s ALA 30 N -0.74 0.34 -0.04 3.20 0.00 -1.26 -0.91 121.76 122.35 1ote s ALA 30 Ca 0.52 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1ote s ALA 30 Cb -0.40 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1ote s ALA 30 CO 0.49 -0.40 -0.25 0.42 0.00 0.00 0.00 175.76 176.02 1ote s ILE 31 N 1.88 2.01 -0.13 0.00 1.01 0.14 -1.74 121.20 124.37 1ote s ILE 31 Ca 0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 1ote s ILE 31 Cb -0.12 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1ote s ILE 31 CO -0.03 0.56 -0.09 -1.58 0.00 0.00 0.00 174.94 173.80 1ote s GLN 32 N -0.36 3.43 0.13 2.79 0.74 -0.12 -0.43 119.66 125.84 1ote s GLN 32 Ca 0.03 -0.62 0.11 0.00 0.05 0.00 0.00 55.36 54.93 1ote s GLN 32 Cb -0.12 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1ote s GLN 32 CO 0.01 0.26 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.25 1ote s LEU 33 N 0.26 2.33 0.00 3.68 1.43 0.64 0.23 118.68 127.24 1ote s LEU 33 Ca -0.07 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1ote s LEU 33 Cb -0.15 -1.17 0.14 0.00 0.03 0.00 0.00 46.19 45.04 1ote s LEU 33 CO 0.04 0.16 0.85 -0.90 0.23 0.00 0.00 176.35 176.73 1ote n ASP 34 N 0.87 0.31 0.29 2.29 5.68 -0.44 -0.88 116.55 124.67 1ote n ASP 34 Ca -0.18 -1.46 0.18 0.00 -0.50 0.00 0.00 54.79 52.83 1ote n ASP 34 Cb 0.53 -0.63 0.87 0.00 -1.14 0.00 0.00 41.12 40.75 1ote n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ote h GLY 35 N -0.98 0.00 0.43 6.12 0.00 -1.91 -1.00 103.07 105.73 1ote h GLY 35 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ote h GLY 35 CO 0.22 0.00 -0.40 1.22 0.00 0.00 0.00 176.54 177.58 1ote n ASP 36 N -3.26 0.89 0.00 0.19 8.00 -1.26 -4.96 116.55 116.15 1ote n ASP 36 Ca -0.01 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1ote n ASP 36 Cb 0.21 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1ote n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ote n GLY 37 N 1.41 0.83 3.76 0.44 0.00 -0.38 -4.89 105.19 106.36 1ote n GLY 37 Ca 0.09 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ote n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ote s ASN 38 N -2.05 7.23 -0.27 1.61 0.01 -1.26 -0.50 114.94 119.71 1ote s ASN 38 Ca 0.00 2.29 -0.26 0.00 -0.71 0.00 0.00 52.86 54.19 1ote s ASN 38 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1ote s ASN 38 CO 0.00 -0.17 0.90 -0.63 -1.51 0.00 0.00 177.10 175.68 1ote s ILE 39 N -1.17 4.75 -0.15 0.60 1.01 -0.04 -1.33 121.20 124.86 1ote s ILE 39 Ca 0.45 1.60 -0.05 0.00 0.00 0.00 0.00 60.65 62.65 1ote s ILE 39 Cb -0.32 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 37.70 1ote s ILE 39 CO 0.42 -0.19 0.23 0.18 0.00 0.00 0.00 174.94 175.57 1ote n LEU 40 N 6.24 2.71 -4.00 2.97 4.77 0.14 -0.74 117.00 129.08 1ote n LEU 40 Ca 0.07 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1ote n LEU 40 Cb 0.47 -1.07 -0.11 0.00 -2.33 0.00 0.00 43.42 40.38 1ote n LEU 40 CO 0.51 0.87 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.97 1ote s GLN 41 N -2.55 0.37 -0.27 3.23 -0.21 -1.03 -4.90 119.66 114.30 1ote s GLN 41 Ca -0.25 -0.71 -0.04 0.00 0.02 0.00 0.00 55.36 54.37 1ote s GLN 41 Cb 0.07 0.09 0.15 0.00 1.00 0.00 0.00 33.01 34.33 1ote s GLN 41 CO 0.73 -0.05 0.54 -0.47 -2.12 0.00 0.00 175.29 173.91 1ote s TYR 42 N -1.82 -1.27 0.66 0.91 6.14 -1.26 -0.95 117.35 119.77 1ote s TYR 42 Ca -0.12 1.65 0.01 0.00 0.64 0.00 0.00 57.07 59.24 1ote s TYR 42 Cb -0.07 0.47 0.10 0.00 0.42 0.00 0.00 41.96 42.87 1ote s TYR 42 CO -0.02 -0.74 0.91 0.54 0.64 0.00 0.00 175.55 176.88 1ote s ASN 43 N 2.77 4.68 0.18 4.32 4.22 -0.71 -4.77 114.94 125.63 1ote s ASN 43 Ca 0.10 -0.30 -0.08 0.00 -2.14 0.00 0.00 52.86 50.44 1ote s ASN 43 Cb -0.14 -0.24 0.08 0.00 1.28 0.00 0.00 41.25 42.24 1ote s ASN 43 CO -0.18 -1.61 1.60 0.00 -2.04 0.00 0.00 177.10 174.86 1ote h ALA 44 N -0.30 0.78 -0.49 3.54 0.00 -1.83 -2.56 119.26 118.41 1ote h ALA 44 Ca -0.37 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1ote h ALA 44 Cb 1.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ote h ALA 44 CO 0.44 0.66 0.21 0.00 0.00 0.00 0.00 179.25 180.56 1ote h ALA 45 N 0.97 1.45 -0.30 0.00 0.00 -1.83 -0.95 119.26 118.59 1ote h ALA 45 Ca 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ote h ALA 45 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ote h ALA 45 CO 0.06 0.43 -0.24 0.37 0.00 0.00 0.00 179.25 179.87 1ote h GLN 46 N 0.69 0.70 -0.32 0.00 5.75 -1.72 -2.67 115.11 117.54 1ote h GLN 46 Ca 0.17 -0.34 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1ote h GLN 46 Cb 0.12 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1ote h GLN 46 CO -0.02 0.95 0.10 0.78 -2.65 0.00 0.00 178.83 178.00 1ote h GLY 47 N 0.45 0.48 2.00 2.39 0.00 -1.13 -1.05 103.07 106.21 1ote h GLY 47 Ca 0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1ote h GLY 47 CO 0.06 0.22 -0.28 -0.55 0.00 0.00 0.00 176.54 175.99 1ote h ASP 48 N 0.45 0.00 0.29 0.19 3.32 -0.86 0.57 116.42 120.38 1ote h ASP 48 Ca 0.11 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.87 1ote h ASP 48 Cb 0.13 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ote h ASP 48 CO -0.01 0.28 -1.25 0.40 -1.72 0.00 0.00 179.24 176.94 1ote h ILE 49 N 0.00 1.35 0.00 0.35 2.04 -0.98 -3.40 117.51 116.86 1ote h ILE 49 Ca -0.00 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.22 1ote h ILE 49 Cb 0.50 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1ote h ILE 49 CO 0.04 0.79 -1.08 0.35 0.00 0.00 0.00 178.15 178.25 1ote n THR 50 N -3.71 0.00 -1.00 -0.27 -2.24 -0.62 -4.96 114.28 101.48 1ote n THR 50 Ca -0.12 -0.22 -0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ote n THR 50 Cb 1.00 0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1ote n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ote n GLY 51 N 1.45 0.47 3.84 3.38 0.00 0.17 -4.73 105.19 109.78 1ote n GLY 51 Ca 0.01 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1ote n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ote s ARG 52 N -0.58 3.83 -0.32 1.61 3.00 -1.24 -5.05 118.95 120.20 1ote s ARG 52 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 55.73 55.76 1ote s ARG 52 Cb 0.00 -3.21 -0.00 0.00 0.00 0.00 0.00 34.95 31.74 1ote s ARG 52 CO 0.00 0.70 1.44 0.34 0.00 0.00 0.00 175.30 177.79 1ote s ASP 53 N -1.09 6.45 0.49 0.23 3.68 -1.26 -4.44 116.67 120.73 1ote s ASP 53 Ca 0.22 1.19 0.23 0.00 2.13 0.00 0.00 52.55 56.32 1ote s ASP 53 Cb -0.16 -2.54 1.27 0.00 -1.45 0.00 0.00 42.92 40.04 1ote s ASP 53 CO 0.12 -1.27 1.94 -0.65 0.13 0.00 0.00 175.17 175.43 1ote h PRO 54 N 10.30 0.17 0.00 4.34 0.11 -1.88 0.71 132.00 145.75 1ote h PRO 54 Ca -0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1ote h PRO 54 Cb 1.12 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ote h PRO 54 CO 1.04 0.11 -0.05 0.87 -0.21 0.00 0.00 178.00 179.76 1ote h LYS 55 N 0.18 0.00 0.00 1.05 1.79 -1.90 -3.28 116.57 114.41 1ote h LYS 55 Ca 0.35 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.70 1ote h LYS 55 Cb 1.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 1ote h LYS 55 CO -0.06 0.05 -1.42 0.94 -1.08 0.00 0.00 179.45 177.88 1ote n GLN 56 N -3.14 0.62 0.10 3.15 7.27 0.22 -4.18 117.38 121.43 1ote n GLN 56 Ca 0.02 0.13 0.12 0.00 0.07 0.00 0.00 57.00 57.34 1ote n GLN 56 Cb 0.43 -1.76 0.18 0.00 2.41 0.00 0.00 30.24 31.49 1ote n GLN 56 CO 0.00 0.00 0.00 -0.39 0.07 0.00 0.00 177.06 176.74 1ote h VAL 57 N 0.00 0.00 -2.28 1.69 -1.51 -1.57 -3.46 116.25 109.12 1ote h VAL 57 Ca -0.12 -0.66 -0.59 0.00 -1.23 0.00 0.00 66.70 64.10 1ote h VAL 57 Cb 1.39 1.36 0.06 0.00 -2.13 0.00 0.00 31.29 31.98 1ote h VAL 57 CO 0.03 0.00 0.76 -0.38 -1.23 0.00 0.00 177.57 176.75 1ote n ILE 58 N -2.39 0.10 0.00 7.19 2.08 -1.25 -1.23 119.36 123.85 1ote n ILE 58 Ca 0.03 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1ote n ILE 58 Cb 0.47 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 37.87 1ote n ILE 58 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ote n GLY 59 N 3.23 2.48 3.83 7.39 0.00 0.08 -4.98 105.19 117.22 1ote n GLY 59 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1ote n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ote s LYS 60 N -0.61 2.56 -0.19 1.61 1.02 -0.37 -4.55 119.74 119.22 1ote s LYS 60 Ca 0.00 0.66 -0.18 0.00 0.02 0.00 0.00 55.97 56.47 1ote s LYS 60 Cb 0.00 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1ote s LYS 60 CO 0.00 -1.29 0.51 1.21 -0.92 0.00 0.00 175.35 174.86 1ote s ASN 61 N -4.02 6.58 0.20 2.83 3.84 -1.26 -0.86 114.94 122.24 1ote s ASN 61 Ca 0.59 0.69 -0.10 0.00 0.21 0.00 0.00 52.86 54.25 1ote s ASN 61 Cb -0.13 -2.29 0.13 0.00 -0.55 0.00 0.00 41.25 38.41 1ote s ASN 61 CO 0.54 -0.15 1.81 0.15 -2.79 0.00 0.00 177.10 176.66 1ote h PHE 62 N 7.34 1.00 0.00 0.43 3.57 -1.13 -1.43 116.94 126.72 1ote h PHE 62 Ca -0.35 -0.03 -0.23 0.00 3.53 0.00 0.00 57.97 60.89 1ote h PHE 62 Cb 1.16 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1ote h PHE 62 CO 0.69 0.72 -1.18 0.74 -2.23 0.00 0.00 178.31 177.04 1ote h PHE 63 N 0.99 0.00 0.10 0.41 0.04 -1.83 0.63 116.94 117.28 1ote h PHE 63 Ca 0.25 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.71 1ote h PHE 63 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1ote h PHE 63 CO 0.00 0.98 -1.63 -0.22 -0.60 0.00 0.00 178.31 176.84 1ote h LYS 64 N 0.00 0.21 0.00 1.51 3.64 -1.87 -3.38 116.57 116.68 1ote h LYS 64 Ca -0.09 -0.36 -0.23 0.00 -1.27 0.00 0.00 60.65 58.70 1ote h LYS 64 Cb 1.82 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.74 1ote h LYS 64 CO 0.11 1.17 -1.82 -0.25 -2.27 0.00 0.00 179.45 176.39 1ote n ASP 65 N -3.84 2.03 -0.01 4.20 10.43 -0.57 -4.74 116.55 124.06 1ote n ASP 65 Ca -0.29 0.05 -0.21 0.00 2.57 0.00 0.00 54.79 56.90 1ote n ASP 65 Cb 0.92 -0.33 -0.13 0.00 1.84 0.00 0.00 41.12 43.42 1ote n ASP 65 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1ote h VAL 66 N -0.26 1.00 -2.13 2.53 2.07 -1.41 -3.43 116.25 114.63 1ote h VAL 66 Ca -0.35 -2.36 -0.55 0.00 0.82 0.00 0.00 66.70 64.26 1ote h VAL 66 Cb 1.42 2.65 -0.41 0.00 -1.52 0.00 0.00 31.29 33.43 1ote h VAL 66 CO -0.14 0.66 -0.88 0.00 0.02 0.00 0.00 177.57 177.24 1ote n ALA 67 N -3.02 3.37 0.31 1.67 0.00 0.21 -4.95 120.51 118.10 1ote n ALA 67 Ca -0.26 -4.10 0.19 0.00 0.00 0.00 0.00 53.44 49.27 1ote n ALA 67 Cb 0.87 -0.84 0.91 0.00 0.00 0.00 0.00 19.45 20.40 1ote n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ote h PRO 68 N 3.39 0.00 0.00 0.00 0.13 -1.77 -0.66 132.00 133.09 1ote h PRO 68 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ote h PRO 68 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ote h PRO 68 CO 0.67 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1ote n THR 70 N -3.02 0.00 -2.50 0.00 -2.24 -0.25 -4.60 114.28 101.67 1ote n THR 70 Ca -0.00 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1ote n THR 70 Cb 0.25 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 1ote n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ote s ASP 71 N -2.72 6.48 0.13 3.42 -1.08 -0.53 -1.40 116.67 120.97 1ote s ASP 71 Ca 0.21 -1.96 -0.22 0.00 -0.52 0.00 0.00 52.55 50.06 1ote s ASP 71 Cb 0.19 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 39.14 1ote s ASP 71 CO 0.54 -1.54 0.57 -0.94 0.52 0.00 0.00 175.17 174.32 1ote s SER 72 N 4.88 -0.51 0.42 -0.34 1.04 -1.26 -4.96 113.70 112.96 1ote s SER 72 Ca 0.54 0.01 0.12 0.00 0.48 0.00 0.00 55.95 57.09 1ote s SER 72 Cb 0.02 0.57 0.97 0.00 0.10 0.00 0.00 66.02 67.67 1ote s SER 72 CO 0.02 -0.91 1.97 -0.65 0.98 0.00 0.00 173.24 174.65 1ote h PRO 73 N 2.17 0.47 0.00 4.02 0.11 -1.94 0.44 132.00 137.27 1ote h PRO 73 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1ote h PRO 73 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ote h PRO 73 CO 0.40 0.31 0.00 0.93 -0.21 0.00 0.00 178.00 179.43 1ote h GLU 74 N 0.48 0.00 0.00 1.05 3.07 -1.95 -2.82 114.58 114.41 1ote h GLU 74 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1ote h GLU 74 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1ote h GLU 74 CO -0.09 0.00 0.00 0.34 -1.40 0.00 0.00 179.01 177.86 1ote n PHE 75 N -2.91 0.00 -0.29 4.33 -0.00 -1.00 -4.66 117.46 112.92 1ote n PHE 75 Ca 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.55 1ote n PHE 75 Cb 0.34 0.06 0.31 0.00 -0.00 0.00 0.00 39.48 40.18 1ote n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ote h TYR 76 N 0.00 0.95 -0.65 -5.13 3.20 -0.47 0.20 116.97 115.06 1ote h TYR 76 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1ote h TYR 76 Cb 0.00 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 1ote h TYR 76 CO 0.00 0.41 0.19 0.78 -1.64 0.00 0.00 178.16 177.91 1ote h GLY 77 N 0.85 1.06 1.41 1.82 0.00 -0.85 -0.93 103.07 106.44 1ote h GLY 77 Ca 0.43 -0.61 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1ote h GLY 77 CO -0.19 0.57 -0.39 0.50 0.00 0.00 0.00 176.54 177.02 1ote h LYS 78 N 0.95 0.65 0.25 4.80 1.57 -0.89 -1.43 116.57 122.47 1ote h LYS 78 Ca 0.21 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1ote h LYS 78 Cb 0.28 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1ote h LYS 78 CO -0.01 0.93 -0.17 0.35 -0.57 0.00 0.00 179.45 179.99 1ote h PHE 79 N 0.53 -0.43 -0.76 -1.35 3.57 -0.39 -1.66 116.94 116.45 1ote h PHE 79 Ca 0.05 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ote h PHE 79 Cb 0.91 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1ote h PHE 79 CO 0.04 -0.26 0.46 -0.22 -2.23 0.00 0.00 178.31 176.10 1ote h LYS 80 N -0.41 1.02 -0.74 1.11 3.11 -1.13 0.92 116.57 120.44 1ote h LYS 80 Ca -0.02 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1ote h LYS 80 Cb 0.35 -0.22 -0.04 0.00 -1.00 0.00 0.00 32.23 31.32 1ote h LYS 80 CO 0.02 0.71 0.46 0.93 -2.81 0.00 0.00 179.45 178.75 1ote h GLU 81 N 1.04 1.00 -0.18 1.90 5.08 -1.08 -0.79 114.58 121.55 1ote h GLU 81 Ca 0.27 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1ote h GLU 81 Cb -0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1ote h GLU 81 CO -0.05 0.70 -0.48 0.78 -1.00 0.00 0.00 179.01 178.96 1ote h GLY 82 N 1.01 0.52 2.00 -3.84 0.00 -0.67 0.09 103.07 102.19 1ote h GLY 82 Ca 0.27 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1ote h GLY 82 CO -0.05 0.50 -0.50 -0.39 0.00 0.00 0.00 176.54 176.10 1ote h VAL 83 N 0.38 1.20 -0.15 4.60 -1.51 -0.47 -1.00 116.25 119.31 1ote h VAL 83 Ca 0.02 -1.80 -0.19 0.00 -1.23 0.00 0.00 66.70 63.50 1ote h VAL 83 Cb 0.98 2.02 0.01 0.00 -2.13 0.00 0.00 31.29 32.16 1ote h VAL 83 CO 0.09 0.49 -0.66 0.00 -1.23 0.00 0.00 177.57 176.25 1ote h ALA 84 N 1.50 0.28 0.00 5.19 0.00 -0.91 -3.21 119.26 122.11 1ote h ALA 84 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1ote h ALA 84 Cb 0.98 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ote h ALA 84 CO 0.06 0.58 -0.15 0.66 0.00 0.00 0.00 179.25 180.40 1ote h SER 85 N 0.41 0.00 0.00 0.00 4.64 -0.86 -3.47 113.55 114.28 1ote h SER 85 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ote h SER 85 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ote h SER 85 CO 0.14 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1ote n GLY 86 N 0.56 0.68 2.49 -0.77 0.00 -0.39 -4.96 105.19 102.80 1ote n GLY 86 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1ote n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ote n ASN 87 N 0.00 2.14 -4.66 1.61 4.05 -1.19 -5.03 115.26 112.19 1ote n ASN 87 Ca 0.00 -3.16 -0.42 0.00 0.45 0.00 0.00 54.58 51.45 1ote n ASN 87 Cb 0.00 -0.57 -0.03 0.00 1.23 0.00 0.00 39.78 40.41 1ote n ASN 87 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ote s LEU 88 N -2.93 4.33 -0.34 1.20 2.96 -1.24 -4.93 118.68 117.73 1ote s LEU 88 Ca 0.40 2.28 -0.01 0.00 -0.22 0.00 0.00 54.13 56.58 1ote s LEU 88 Cb 0.37 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.71 1ote s LEU 88 CO -0.08 -0.93 0.81 0.21 -1.32 0.00 0.00 176.35 175.05 1ote s ASN 89 N 3.32 -1.02 -0.05 3.68 2.47 -1.23 -1.58 114.94 120.52 1ote s ASN 89 Ca 0.74 -0.28 -0.12 0.00 0.42 0.00 0.00 52.86 53.62 1ote s ASN 89 Cb -0.34 1.42 0.02 0.00 -1.45 0.00 0.00 41.25 40.90 1ote s ASN 89 CO 0.30 -0.14 0.29 0.28 -3.72 0.00 0.00 177.10 174.11 1ote s THR 90 N 2.25 0.04 -0.02 -5.21 -1.32 -0.45 -4.99 115.64 105.94 1ote s THR 90 Ca 0.16 -0.31 0.04 0.00 -1.21 0.00 0.00 61.69 60.38 1ote s THR 90 Cb -0.03 -0.52 -0.01 0.00 -1.51 0.00 0.00 72.50 70.44 1ote s THR 90 CO -0.16 -0.17 -0.15 -0.04 -2.21 0.00 0.00 174.62 171.89 1ote s MET 91 N -0.74 1.36 0.16 7.08 -1.94 -1.26 -0.76 119.30 123.21 1ote s MET 91 Ca -0.08 -0.54 -0.23 0.00 -1.71 0.00 0.00 55.69 53.12 1ote s MET 91 Cb -0.04 -1.27 0.06 0.00 2.01 0.00 0.00 34.83 35.59 1ote s MET 91 CO 0.02 0.28 0.67 -0.59 -0.01 0.00 0.00 175.02 175.40 1ote s PHE 92 N -0.19 -0.44 0.30 -0.03 -0.71 -0.24 -4.98 117.98 111.69 1ote s PHE 92 Ca 0.02 0.19 -0.07 0.00 -1.04 0.00 0.00 56.93 56.03 1ote s PHE 92 Cb -0.08 0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 42.26 1ote s PHE 92 CO 0.00 -0.88 0.59 -1.21 -1.34 0.00 0.00 175.22 172.39 1ote s GLU 93 N -3.69 3.69 0.16 1.99 2.02 -1.26 -0.08 118.70 121.53 1ote s GLU 93 Ca 0.04 0.14 -0.21 0.00 0.02 0.00 0.00 54.97 54.96 1ote s GLU 93 Cb -0.02 -2.60 0.06 0.00 0.10 0.00 0.00 34.13 31.68 1ote s GLU 93 CO -0.08 0.18 0.56 -0.47 0.02 0.00 0.00 175.26 175.47 1ote s TYR 94 N -2.09 -0.46 -0.15 1.61 5.04 -0.64 -4.92 117.35 115.75 1ote s TYR 94 Ca 0.46 0.22 -0.00 0.00 -2.44 0.00 0.00 57.07 55.31 1ote s TYR 94 Cb -0.11 0.50 -0.01 0.00 0.35 0.00 0.00 41.96 42.69 1ote s TYR 94 CO 0.29 -0.83 -0.13 0.99 -1.34 0.00 0.00 175.55 174.53 1ote s THR 95 N -3.77 2.96 -0.20 4.34 2.01 -1.26 -0.83 115.64 118.89 1ote s THR 95 Ca 0.02 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1ote s THR 95 Cb -0.01 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1ote s THR 95 CO -0.12 0.51 0.12 -0.36 -0.69 0.00 0.00 174.62 174.08 1ote s PHE 96 N 0.61 3.38 0.00 4.92 0.08 -0.36 -4.91 117.98 121.69 1ote s PHE 96 Ca -0.07 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1ote s PHE 96 Cb -0.16 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 1ote s PHE 96 CO 0.03 0.25 0.41 -0.40 -0.10 0.00 0.00 175.22 175.41 1ote n ASP 97 N 3.58 0.00 -4.59 1.36 5.75 -1.26 -1.28 116.55 120.11 1ote n ASP 97 Ca -0.16 -1.11 -0.41 0.00 -0.01 0.00 0.00 54.79 53.10 1ote n ASP 97 Cb 0.52 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 1ote n ASP 97 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1ote s TYR 98 N 0.00 3.22 -1.55 2.11 5.04 -1.26 -4.17 117.35 120.74 1ote s TYR 98 Ca 0.00 0.42 -0.09 0.00 -2.44 0.00 0.00 57.07 54.96 1ote s TYR 98 Cb 0.00 -2.83 0.07 0.00 0.35 0.00 0.00 41.96 39.56 1ote s TYR 98 CO 0.00 -0.41 0.58 1.04 -1.34 0.00 0.00 175.55 175.42 1ote n GLN 99 N 5.65 -3.20 -3.51 4.97 6.02 -1.26 -4.96 117.38 121.09 1ote n GLN 99 Ca -0.04 0.38 -0.12 0.00 -0.01 0.00 0.00 57.00 57.21 1ote n GLN 99 Cb 0.49 -4.76 -0.03 0.00 1.02 0.00 0.00 30.24 26.96 1ote n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ote s MET 100 N -6.77 1.18 0.26 -1.09 0.23 -1.26 -4.90 119.30 106.96 1ote s MET 100 Ca 0.35 -0.51 -0.31 0.00 -1.03 0.00 0.00 55.69 54.19 1ote s MET 100 Cb -0.19 0.53 -0.12 0.00 -1.53 0.00 0.00 34.83 33.53 1ote s MET 100 CO 0.91 -0.49 1.65 0.99 -2.03 0.00 0.00 175.02 176.06 1ote s THR 101 N -3.56 2.01 0.04 3.16 2.01 -1.26 -4.69 115.64 113.34 1ote s THR 101 Ca 0.01 0.01 -0.34 0.00 0.31 0.00 0.00 61.69 61.68 1ote s THR 101 Cb 0.00 -3.00 -0.12 0.00 0.01 0.00 0.00 72.50 69.38 1ote s THR 101 CO -0.11 0.00 1.75 -2.65 -0.69 0.00 0.00 174.62 172.93 1ote n PRO 102 N 2.83 2.27 -3.86 4.92 -0.02 -1.26 -4.72 135.00 135.17 1ote n PRO 102 Ca 0.11 0.83 -0.23 0.00 -2.02 0.00 0.00 63.50 62.18 1ote n PRO 102 Cb 0.36 -2.65 -0.17 0.00 -0.02 0.00 0.00 33.50 31.02 1ote n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ote s THR 103 N 2.62 0.55 0.11 3.45 2.01 -0.40 -4.96 115.64 119.01 1ote s THR 103 Ca 0.86 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1ote s THR 103 Cb -0.65 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.13 1ote s THR 103 CO 0.44 0.28 1.17 -0.54 -0.69 0.00 0.00 174.62 175.28 1ote s LYS 104 N 1.76 4.48 0.18 4.92 -0.14 -1.26 -1.22 119.74 128.46 1ote s LYS 104 Ca 0.03 1.77 0.01 0.00 -1.36 0.00 0.00 55.97 56.42 1ote s LYS 104 Cb -0.13 -3.31 -0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1ote s LYS 104 CO -0.05 -0.14 0.03 0.14 -0.76 0.00 0.00 175.35 174.56 1ote s VAL 105 N 0.56 0.56 -0.15 3.17 -7.23 -0.01 -2.20 120.40 115.09 1ote s VAL 105 Ca 0.55 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1ote s VAL 105 Cb -0.30 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1ote s VAL 105 CO 0.32 -0.40 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.94 1ote s LYS 106 N -3.96 3.68 -0.06 4.82 2.47 0.11 -1.62 119.74 125.18 1ote s LYS 106 Ca 0.26 -0.47 0.04 0.00 -1.56 0.00 0.00 55.97 54.24 1ote s LYS 106 Cb 0.07 -2.97 -0.02 0.00 -1.46 0.00 0.00 37.83 33.45 1ote s LYS 106 CO 0.05 0.29 -0.19 0.08 0.16 0.00 0.00 175.35 175.74 1ote s VAL 107 N 0.24 2.58 -0.14 4.02 1.01 0.89 -1.11 120.40 127.89 1ote s VAL 107 Ca -0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1ote s VAL 107 Cb -0.13 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1ote s VAL 107 CO 0.02 0.57 -0.09 -2.28 0.00 0.00 0.00 175.10 173.32 1ote s HIS 108 N -0.30 1.73 -0.13 5.22 2.46 0.28 -1.08 115.29 123.46 1ote s HIS 108 Ca 0.01 -0.96 -0.06 0.00 0.47 0.00 0.00 55.06 54.53 1ote s HIS 108 Cb -0.13 -1.35 -0.04 0.00 -0.13 0.00 0.00 32.58 30.93 1ote s HIS 108 CO 0.03 -0.58 0.07 -1.64 -2.47 0.00 0.00 174.74 170.14 1ote s MET 109 N 1.63 3.51 -0.18 2.88 -1.94 0.06 -0.12 119.30 125.14 1ote s MET 109 Ca 0.04 -0.30 -0.11 0.00 -1.71 0.00 0.00 55.69 53.60 1ote s MET 109 Cb -0.13 -3.08 0.06 0.00 2.01 0.00 0.00 34.83 33.69 1ote s MET 109 CO -0.09 0.55 0.45 0.21 -0.01 0.00 0.00 175.02 176.14 1ote s LYS 110 N -0.43 0.46 0.43 2.03 2.47 -0.28 -1.34 119.74 123.08 1ote s LYS 110 Ca 0.10 0.80 -0.25 0.00 -1.56 0.00 0.00 55.97 55.05 1ote s LYS 110 Cb -0.12 0.06 -0.09 0.00 -1.46 0.00 0.00 37.83 36.21 1ote s LYS 110 CO 0.02 -0.14 1.34 1.17 0.16 0.00 0.00 175.35 177.90 1ote n LYS 111 N 3.95 2.07 -1.89 4.03 4.81 -0.62 -0.32 118.16 130.19 1ote n LYS 111 Ca -0.21 0.74 -0.30 0.00 -0.87 0.00 0.00 58.31 57.67 1ote n LYS 111 Cb 0.56 -2.48 0.06 0.00 0.02 0.00 0.00 35.03 33.19 1ote n LYS 111 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ote s ALA 112 N -1.19 2.84 0.36 3.14 0.00 -0.41 -4.78 121.76 121.72 1ote s ALA 112 Ca 0.61 -0.43 0.34 0.00 0.00 0.00 0.00 51.96 52.48 1ote s ALA 112 Cb -0.49 -3.00 1.65 0.00 0.00 0.00 0.00 23.12 21.28 1ote s ALA 112 CO 0.58 -1.27 2.11 -0.07 0.00 0.00 0.00 175.76 177.11 1ote h LEU 113 N -0.75 0.00 -1.52 0.00 3.38 -1.85 -2.91 115.31 111.65 1ote h LEU 113 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1ote h LEU 113 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1ote h LEU 113 CO 0.64 0.05 0.09 0.77 0.09 0.00 0.00 178.44 180.09 1ote h SER 114 N 0.00 0.36 0.00 -0.43 4.64 -1.93 -3.46 113.55 112.73 1ote h SER 114 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ote h SER 114 Cb 0.33 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1ote h SER 114 CO 0.01 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1ote n GLY 115 N -1.22 0.79 0.00 -0.77 0.00 -1.10 -4.87 105.19 98.01 1ote n GLY 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ote n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ote n ASP 116 N 0.00 0.53 -3.88 1.61 5.68 -1.26 -5.04 116.55 114.19 1ote n ASP 116 Ca 0.00 -1.17 -0.11 0.00 -0.50 0.00 0.00 54.79 53.01 1ote n ASP 116 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 1ote n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ote s SER 117 N -0.17 0.05 -0.01 -1.12 1.04 -1.26 -3.95 113.70 108.28 1ote s SER 117 Ca 0.00 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1ote s SER 117 Cb 0.00 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1ote s SER 117 CO 0.00 -0.39 -0.02 -0.31 0.98 0.00 0.00 173.24 173.49 1ote s TYR 118 N -1.57 0.30 -0.08 5.02 1.51 -0.06 -1.29 117.35 121.18 1ote s TYR 118 Ca -0.13 -0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 1ote s TYR 118 Cb -0.07 -0.25 -0.04 0.00 -0.11 0.00 0.00 41.96 41.50 1ote s TYR 118 CO 0.01 -0.04 0.16 -1.58 -1.11 0.00 0.00 175.55 172.99 1ote s TRP 119 N 0.21 3.59 -0.22 2.71 0.52 0.56 -0.26 118.94 126.05 1ote s TRP 119 Ca -0.02 0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.60 1ote s TRP 119 Cb -0.05 -1.92 0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1ote s TRP 119 CO -0.01 0.71 -0.13 0.08 0.02 0.00 0.00 176.95 177.62 1ote s VAL 120 N -1.12 2.40 -0.05 4.03 1.01 0.43 -1.13 120.40 125.97 1ote s VAL 120 Ca 0.19 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1ote s VAL 120 Cb -0.12 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1ote s VAL 120 CO 0.08 0.33 0.01 -0.36 0.00 0.00 0.00 175.10 175.16 1ote s PHE 121 N 1.28 3.14 -0.01 5.22 0.08 0.82 -0.68 117.98 127.83 1ote s PHE 121 Ca 0.01 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1ote s PHE 121 Cb -0.15 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 1ote s PHE 121 CO -0.08 0.47 -0.01 0.08 -0.10 0.00 0.00 175.22 175.58 1ote s VAL 122 N -0.99 0.10 0.05 -0.44 1.01 -0.09 -0.55 120.40 119.48 1ote s VAL 122 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1ote s VAL 122 Cb -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1ote s VAL 122 CO 0.06 0.05 -0.04 -1.59 0.00 0.00 0.00 175.10 173.59 1ote s LYS 123 N 0.24 0.54 0.57 2.72 -2.85 -0.27 -0.70 119.74 119.99 1ote s LYS 123 Ca -0.02 -1.01 -0.19 0.00 -1.00 0.00 0.00 55.97 53.75 1ote s LYS 123 Cb -0.04 0.07 -0.05 0.00 -2.06 0.00 0.00 37.83 35.76 1ote s LYS 123 CO -0.01 -0.06 1.13 1.03 0.10 0.00 0.00 175.35 177.54 1ote s ARG 124 N -2.96 3.23 0.00 1.78 0.52 -1.26 -0.72 118.95 119.54 1ote s ARG 124 Ca -0.01 1.60 0.00 0.00 -0.52 0.00 0.00 55.73 56.80 1ote s ARG 124 Cb 0.01 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1ote s ARG 124 CO -0.06 -0.95 0.33 1.33 0.02 0.00 0.00 175.30 175.97