#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doy n SER 10 N 0.00 1.84 -4.37 1.08 2.88 -1.26 -4.82 113.62 108.97 3doy n SER 10 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 3doy n SER 10 Cb 0.00 0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 63.34 3doy n SER 10 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3doy s GLN 11 N -1.45 3.46 -0.07 -1.46 -1.52 -1.26 -3.70 119.66 113.66 3doy s GLN 11 Ca 0.00 -0.60 0.03 0.00 -1.95 0.00 0.00 55.36 52.84 3doy s GLN 11 Cb 0.00 -2.94 0.00 0.00 -0.22 0.00 0.00 33.01 29.86 3doy s GLN 11 CO 0.00 -0.02 -0.18 -0.06 -0.25 0.00 0.00 175.29 174.78 3doy s PHE 12 N 1.02 1.96 0.59 0.91 0.40 -0.92 -4.99 117.98 116.95 3doy s PHE 12 Ca 0.00 -0.73 0.05 0.00 -0.60 0.00 0.00 56.93 55.65 3doy s PHE 12 Cb -0.15 -1.35 0.11 0.00 0.51 0.00 0.00 43.02 42.14 3doy s PHE 12 CO 0.00 -0.31 0.81 1.19 0.70 0.00 0.00 175.22 177.61 3doy n PHE 13 N 3.56 -2.62 -0.24 0.36 3.01 -1.26 -0.28 117.46 119.99 3doy n PHE 13 Ca -0.20 -1.80 0.11 0.00 1.01 0.00 0.00 57.45 56.57 3doy n PHE 13 Cb 0.52 -0.57 0.39 0.00 -0.01 0.00 0.00 39.48 39.81 3doy n PHE 13 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3doy h ILE 14 N -0.20 0.87 -0.25 4.37 6.09 -1.88 -0.29 117.51 126.22 3doy h ILE 14 Ca -0.27 -0.23 -0.09 0.00 -1.37 0.00 0.00 64.86 62.90 3doy h ILE 14 Cb 1.13 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 38.55 3doy h ILE 14 CO 0.34 0.12 -0.23 1.05 -3.07 0.00 0.00 178.15 176.36 3doy h GLU 15 N 0.67 0.46 -0.15 2.19 9.09 -1.94 -0.82 114.58 124.08 3doy h GLU 15 Ca 0.41 -0.16 -0.20 0.00 0.05 0.00 0.00 59.36 59.46 3doy h GLU 15 Cb 0.64 -0.03 0.01 0.00 -1.65 0.00 0.00 28.75 27.71 3doy h GLU 15 CO -0.17 0.66 -0.67 0.45 0.05 0.00 0.00 179.01 179.33 3doy h HIS 16 N 0.41 0.96 -0.97 2.06 3.86 -1.56 -3.14 115.15 116.77 3doy h HIS 16 Ca 0.06 -0.42 0.01 0.00 -1.16 0.00 0.00 60.37 58.86 3doy h HIS 16 Cb 0.63 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 3doy h HIS 16 CO 0.02 1.23 0.63 0.82 0.86 0.00 0.00 177.93 181.49 3doy h ILE 17 N 0.41 1.25 0.00 2.45 2.04 -0.85 -1.87 117.51 120.95 3doy h ILE 17 Ca -0.04 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3doy h ILE 17 Cb 1.30 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3doy h ILE 17 CO 0.14 0.25 -0.09 -0.07 0.00 0.00 0.00 178.15 178.38 3doy h LEU 18 N 1.33 0.00 0.00 1.44 3.38 -1.13 -1.41 115.31 118.92 3doy h LEU 18 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3doy h LEU 18 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3doy h LEU 18 CO -0.07 0.09 -0.19 1.56 0.09 0.00 0.00 178.44 179.91 3doy h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.29 -3.38 115.11 115.77 3doy h GLN 19 Ca -0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 3doy h GLN 19 Cb 0.17 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 3doy h GLN 19 CO 0.01 0.00 -2.39 -0.89 -0.67 0.00 0.00 178.83 174.89 3doy n ILE 20 N -2.37 1.38 -3.30 2.54 2.08 -0.87 -4.51 119.36 114.30 3doy n ILE 20 Ca 0.05 -0.44 -0.35 0.00 0.56 0.00 0.00 62.75 62.57 3doy n ILE 20 Cb 0.45 -1.60 -0.06 0.00 -0.75 0.00 0.00 39.64 37.69 3doy n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3doy s LEU 21 N -6.89 4.30 0.20 1.39 1.43 -0.58 -4.84 118.68 113.69 3doy s LEU 21 Ca -0.34 1.14 0.25 0.00 -1.03 0.00 0.00 54.13 54.14 3doy s LEU 21 Cb 0.11 -3.42 0.50 0.00 0.03 0.00 0.00 46.19 43.41 3doy s LEU 21 CO 0.50 0.05 1.52 1.55 0.23 0.00 0.00 176.35 180.19 3doy h PRO 22 N 3.34 0.00 -6.87 1.29 0.13 -1.89 -3.44 132.00 124.57 3doy h PRO 22 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 3doy h PRO 22 Cb 1.19 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 3doy h PRO 22 CO 0.66 0.00 0.66 0.72 -0.23 0.00 0.00 178.00 179.81 3doy n HIS 23 N -2.35 2.67 -4.29 1.56 8.25 -1.26 -5.03 115.22 114.78 3doy n HIS 23 Ca 0.04 0.49 -0.18 0.00 -0.26 0.00 0.00 57.72 57.81 3doy n HIS 23 Cb 0.46 -2.48 -0.09 0.00 1.12 0.00 0.00 29.99 29.00 3doy n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3doy s ARG 24 N -2.07 1.61 0.31 -0.41 1.81 -1.26 -4.66 118.95 114.28 3doy s ARG 24 Ca 0.55 -1.92 -0.30 0.00 -1.72 0.00 0.00 55.73 52.34 3doy s ARG 24 Cb -0.51 0.19 -0.12 0.00 -0.45 0.00 0.00 34.95 34.06 3doy s ARG 24 CO 0.62 -0.55 1.53 0.98 -0.68 0.00 0.00 175.30 177.21 3doy n TYR 25 N -0.55 2.77 -1.41 -0.53 4.19 -1.26 0.84 117.16 121.22 3doy n TYR 25 Ca 0.04 0.34 -0.35 0.00 3.31 0.00 0.00 57.90 61.24 3doy n TYR 25 Cb 0.64 -2.55 0.07 0.00 0.49 0.00 0.00 39.34 37.99 3doy n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3doy n PRO 26 N 1.61 2.73 -0.02 2.98 -0.04 -1.26 -4.93 135.00 136.07 3doy n PRO 26 Ca 0.07 -3.34 0.01 0.00 -0.04 0.00 0.00 63.50 60.19 3doy n PRO 26 Cb 0.37 -2.29 0.01 0.00 -0.04 0.00 0.00 33.50 31.55 3doy n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3doy n MET 27 N -0.88 2.02 -3.11 0.54 2.81 0.25 -4.94 117.12 113.81 3doy n MET 27 Ca 0.62 -1.29 -0.43 0.00 -1.81 0.00 0.00 57.70 54.78 3doy n MET 27 Cb 0.63 -0.89 -0.06 0.00 -0.71 0.00 0.00 33.22 32.20 3doy n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3doy s LEU 28 N -0.83 4.80 -0.45 4.03 2.96 -0.98 -4.66 118.68 123.55 3doy s LEU 28 Ca 0.02 -0.78 0.03 0.00 -0.22 0.00 0.00 54.13 53.18 3doy s LEU 28 Cb 0.02 -2.52 0.46 0.00 0.50 0.00 0.00 46.19 44.64 3doy s LEU 28 CO 0.00 -0.93 1.55 0.18 -1.32 0.00 0.00 176.35 175.83 3doy n LEU 29 N 6.37 6.09 -3.57 -0.68 4.77 -1.26 -4.90 117.00 123.83 3doy n LEU 29 Ca -0.05 -4.55 -0.17 0.00 -0.03 0.00 0.00 56.01 51.21 3doy n LEU 29 Cb 0.46 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 3doy n LEU 29 CO 0.55 1.83 -0.20 -0.69 -1.33 0.00 0.00 177.39 177.56 3doy s VAL 30 N -4.68 -0.32 -0.04 4.08 1.01 -1.26 -4.64 120.40 114.54 3doy s VAL 30 Ca 0.57 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.74 3doy s VAL 30 Cb 0.45 -0.54 -0.23 0.00 0.00 0.00 0.00 36.38 36.06 3doy s VAL 30 CO 0.02 -0.06 0.69 0.44 0.00 0.00 0.00 175.10 176.19 3doy h ASP 31 N 8.32 0.02 -4.59 3.32 3.32 -1.51 -3.47 116.42 121.83 3doy h ASP 31 Ca -0.15 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 3doy h ASP 31 Cb 1.14 -0.01 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 3doy h ASP 31 CO 0.22 1.05 0.20 -0.60 -1.72 0.00 0.00 179.24 178.39 3doy s ARG 32 N -2.60 0.95 -0.26 3.56 3.52 -1.03 -2.80 118.95 120.30 3doy s ARG 32 Ca -0.05 0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 55.96 3doy s ARG 32 Cb 0.08 0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 33.89 3doy s ARG 32 CO 0.82 -0.24 0.10 0.42 -0.81 0.00 0.00 175.30 175.59 3doy s ILE 33 N -0.66 4.55 -0.13 4.11 -1.09 0.61 -1.67 121.20 126.92 3doy s ILE 33 Ca -0.07 -0.10 0.19 0.00 -2.23 0.00 0.00 60.65 58.44 3doy s ILE 33 Cb -0.02 -3.14 -0.21 0.00 -1.58 0.00 0.00 42.46 37.51 3doy s ILE 33 CO 0.06 0.31 0.53 0.35 -1.23 0.00 0.00 174.94 174.97 3doy n THR 34 N 4.96 0.93 -3.76 2.92 -2.24 -0.11 -2.17 114.28 114.80 3doy n THR 34 Ca -0.16 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.81 3doy n THR 34 Cb 0.51 -0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 68.16 3doy n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3doy s GLU 35 N -2.96 0.30 -0.18 -0.78 2.02 -0.47 -4.66 118.70 111.97 3doy s GLU 35 Ca -0.06 0.44 -0.05 0.00 0.02 0.00 0.00 54.97 55.32 3doy s GLU 35 Cb 0.09 0.08 0.09 0.00 0.10 0.00 0.00 34.13 34.49 3doy s GLU 35 CO 0.84 -0.08 0.33 -1.17 0.02 0.00 0.00 175.26 175.20 3doy s LEU 36 N 0.49 -0.45 -0.29 1.80 2.96 -1.24 -0.82 118.68 121.13 3doy s LEU 36 Ca -0.03 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 3doy s LEU 36 Cb -0.04 0.94 0.07 0.00 0.50 0.00 0.00 46.19 47.66 3doy s LEU 36 CO -0.03 -0.26 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.60 3doy s GLN 37 N 2.49 2.13 0.09 1.98 -0.21 -0.46 -4.79 119.66 120.89 3doy s GLN 37 Ca 0.03 -1.45 -0.36 0.00 0.02 0.00 0.00 55.36 53.60 3doy s GLN 37 Cb -0.13 -3.03 -0.18 0.00 1.00 0.00 0.00 33.01 30.67 3doy s GLN 37 CO -0.11 -0.67 1.09 0.00 -2.12 0.00 0.00 175.29 173.48 3doy n ALA 38 N 4.44 -2.11 -0.91 6.09 0.00 -1.26 -1.04 120.51 125.71 3doy n ALA 38 Ca -0.10 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3doy n ALA 38 Cb 0.42 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3doy n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3doy n ASN 39 N 1.95 -4.18 0.05 0.00 4.13 -1.26 -4.75 115.26 111.21 3doy n ASN 39 Ca 0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3doy n ASN 39 Cb 0.17 -2.65 0.00 0.00 -1.54 0.00 0.00 39.78 35.77 3doy n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3doy n GLN 40 N -0.34 0.00 -3.75 3.52 6.02 -0.20 -4.66 117.38 117.97 3doy n GLN 40 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3doy n GLN 40 Cb 0.31 -0.18 -0.04 0.00 1.02 0.00 0.00 30.24 31.34 3doy n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3doy s LYS 41 N -1.60 1.36 -0.05 -1.09 -2.85 -1.01 -0.16 119.74 114.34 3doy s LYS 41 Ca 0.00 -0.88 -0.03 0.00 -1.00 0.00 0.00 55.97 54.06 3doy s LYS 41 Cb 0.00 0.51 0.03 0.00 -2.06 0.00 0.00 37.83 36.31 3doy s LYS 41 CO 0.00 -0.57 0.13 -1.50 0.10 0.00 0.00 175.35 173.51 3doy s ILE 42 N -3.88 -0.03 -0.14 3.79 2.07 0.62 -1.36 121.20 122.27 3doy s ILE 42 Ca 0.10 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.45 3doy s ILE 42 Cb -0.01 -0.20 0.01 0.00 0.13 0.00 0.00 42.46 42.39 3doy s ILE 42 CO -0.03 0.04 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.15 3doy s VAL 43 N 0.65 1.94 0.29 4.00 1.01 0.00 -1.81 120.40 126.48 3doy s VAL 43 Ca -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3doy s VAL 43 Cb -0.07 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3doy s VAL 43 CO -0.03 0.53 0.36 0.00 0.00 0.00 0.00 175.10 175.95 3doy n ALA 44 N 4.24 -0.03 -3.58 5.51 0.00 -0.75 -0.94 120.51 124.97 3doy n ALA 44 Ca -0.20 -1.42 -0.08 0.00 0.00 0.00 0.00 53.44 51.73 3doy n ALA 44 Cb 0.51 1.15 -0.02 0.00 0.00 0.00 0.00 19.45 21.09 3doy n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3doy s TYR 45 N -3.22 -0.35 -0.04 0.00 1.13 -0.67 0.07 117.35 114.27 3doy s TYR 45 Ca 0.27 0.10 0.00 0.00 -1.41 0.00 0.00 57.07 56.03 3doy s TYR 45 Cb -0.00 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.48 3doy s TYR 45 CO 0.19 -0.82 -0.02 0.21 -2.51 0.00 0.00 175.55 172.61 3doy s LYS 46 N -3.50 0.53 0.42 -3.49 2.20 -0.27 -1.23 119.74 114.40 3doy s LYS 46 Ca 0.06 0.02 -0.23 0.00 -0.36 0.00 0.00 55.97 55.46 3doy s LYS 46 Cb -0.02 -0.68 -0.09 0.00 -1.51 0.00 0.00 37.83 35.54 3doy s LYS 46 CO -0.06 -0.14 1.05 -0.80 -0.36 0.00 0.00 175.35 175.05 3doy s ASN 47 N 1.12 6.63 -0.26 1.43 0.01 -1.26 -1.84 114.94 120.76 3doy s ASN 47 Ca -0.08 2.03 -0.03 0.00 -0.71 0.00 0.00 52.86 54.07 3doy s ASN 47 Cb -0.14 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.96 3doy s ASN 47 CO -0.01 -0.58 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.35 3doy s ILE 48 N -1.72 3.20 0.13 0.60 -1.09 -0.32 -4.91 121.20 117.09 3doy s ILE 48 Ca 0.60 -0.95 0.09 0.00 -2.23 0.00 0.00 60.65 58.16 3doy s ILE 48 Cb -0.21 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 3doy s ILE 48 CO 0.26 0.15 -0.21 0.28 -1.23 0.00 0.00 174.94 174.19 3doy s THR 49 N 1.37 1.86 0.41 2.92 -1.32 -1.26 0.41 115.64 120.03 3doy s THR 49 Ca 0.01 -1.72 0.12 0.00 -1.21 0.00 0.00 61.69 58.88 3doy s THR 49 Cb -0.17 -1.74 0.15 0.00 -1.51 0.00 0.00 72.50 69.23 3doy s THR 49 CO -0.02 -0.12 1.92 0.15 -2.21 0.00 0.00 174.62 174.34 3doy h PHE 50 N 3.73 0.11 0.00 9.09 3.57 -1.95 -3.21 116.94 128.29 3doy h PHE 50 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3doy h PHE 50 Cb 1.19 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.90 3doy h PHE 50 CO 0.64 0.30 0.00 -1.71 -2.23 0.00 0.00 178.31 175.31 3doy n ASN 51 N -4.26 1.88 -4.43 0.41 4.05 -1.26 -4.72 115.26 106.92 3doy n ASN 51 Ca -0.02 -1.32 -0.32 0.00 0.45 0.00 0.00 54.58 53.37 3doy n ASN 51 Cb 0.29 -0.38 -0.14 0.00 1.23 0.00 0.00 39.78 40.78 3doy n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3doy s GLU 52 N 0.95 2.51 0.26 1.20 2.02 -1.21 -5.05 118.70 119.38 3doy s GLU 52 Ca 0.00 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 3doy s GLU 52 Cb 0.00 -2.33 0.35 0.00 0.10 0.00 0.00 34.13 32.25 3doy s GLU 52 CO 0.00 0.57 1.90 0.22 0.02 0.00 0.00 175.26 177.97 3doy h ASP 53 N 5.50 1.08 -0.58 -0.19 3.58 -1.94 -2.41 116.42 121.47 3doy h ASP 53 Ca -0.44 -0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.18 3doy h ASP 53 Cb 1.15 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 3doy h ASP 53 CO 0.50 0.72 0.49 -0.37 -2.88 0.00 0.00 179.24 177.70 3doy h VAL 54 N 1.24 0.51 0.00 2.25 -1.51 -1.96 0.15 116.25 116.93 3doy h VAL 54 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.88 3doy h VAL 54 Cb 0.05 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 3doy h VAL 54 CO -0.14 0.00 0.00 -0.26 -1.23 0.00 0.00 177.57 175.94 3doy h PHE 55 N 0.00 0.00 -0.18 5.19 -1.00 -1.70 -1.94 116.94 117.30 3doy h PHE 55 Ca 0.27 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.02 3doy h PHE 55 Cb 1.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 3doy h PHE 55 CO 0.00 0.00 -0.06 -0.91 -1.61 0.00 0.00 178.31 175.73 3doy h ASN 56 N 0.00 0.25 -0.04 2.17 2.35 -0.85 -3.22 115.58 116.23 3doy h ASN 56 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3doy h ASN 56 Cb 0.43 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3doy h ASN 56 CO 0.00 0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.74 3doy n GLY 57 N -1.02 1.24 2.39 2.83 0.00 -0.97 -4.31 105.19 105.34 3doy n GLY 57 Ca -0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3doy n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3doy n HIS 58 N -0.14 -1.23 -4.30 1.61 -0.00 -0.77 -4.50 115.22 105.89 3doy n HIS 58 Ca 0.02 -3.07 -0.16 0.00 -0.00 0.00 0.00 57.72 54.50 3doy n HIS 58 Cb 0.19 0.29 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 3doy n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3doy s PHE 59 N -0.20 1.49 0.08 1.57 0.08 0.36 -1.33 117.98 120.02 3doy s PHE 59 Ca 0.33 -0.66 -0.35 0.00 0.12 0.00 0.00 56.93 56.37 3doy s PHE 59 Cb 0.09 -0.72 -0.14 0.00 -0.57 0.00 0.00 43.02 41.68 3doy s PHE 59 CO -0.16 0.22 1.60 -2.30 -0.10 0.00 0.00 175.22 174.48 3doy n PRO 60 N -0.27 1.94 -0.95 0.24 -0.02 -1.26 -0.18 135.00 134.49 3doy n PRO 60 Ca -0.09 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3doy n PRO 60 Cb 0.60 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3doy n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3doy n ASN 61 N 3.95 -4.83 -2.99 2.55 3.02 -1.26 -4.84 115.26 110.85 3doy n ASN 61 Ca 0.19 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.58 3doy n ASN 61 Cb 0.26 -2.87 -0.02 0.00 -0.61 0.00 0.00 39.78 36.55 3doy n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3doy n LYS 62 N 0.03 0.68 -1.73 3.52 3.00 0.75 -5.11 118.16 119.30 3doy n LYS 62 Ca 0.00 -2.51 -0.43 0.00 -0.00 0.00 0.00 58.31 55.37 3doy n LYS 62 Cb 0.36 -1.38 -0.03 0.00 0.00 0.00 0.00 35.03 33.99 3doy n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3doy s PRO 63 N -0.14 3.26 -0.11 1.64 0.04 -1.20 -0.49 135.00 137.99 3doy s PRO 63 Ca 0.33 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 3doy s PRO 63 Cb 0.17 -4.31 0.04 0.00 0.04 0.00 0.00 34.50 30.44 3doy s PRO 63 CO -0.17 -1.95 0.02 0.42 0.04 0.00 0.00 177.00 175.36 3doy s ILE 64 N 7.63 0.37 0.13 0.56 1.01 -0.44 -4.52 121.20 125.94 3doy s ILE 64 Ca 0.94 -0.09 -0.31 0.00 0.00 0.00 0.00 60.65 61.19 3doy s ILE 64 Cb -0.31 -0.67 -0.11 0.00 0.01 0.00 0.00 42.46 41.39 3doy s ILE 64 CO 0.35 0.08 1.83 0.12 0.00 0.00 0.00 174.94 177.32 3doy s PHE 65 N 1.96 2.17 0.13 3.97 5.36 0.00 -4.57 117.98 127.01 3doy s PHE 65 Ca 0.03 -0.02 -0.34 0.00 -0.96 0.00 0.00 56.93 55.63 3doy s PHE 65 Cb -0.14 -4.19 -0.14 0.00 -0.34 0.00 0.00 43.02 38.21 3doy s PHE 65 CO -0.06 -4.89 1.55 -2.30 -1.46 0.00 0.00 175.22 168.06 3doy n PRO 66 N 5.59 1.98 -0.26 10.12 -0.02 -1.26 -4.53 135.00 146.61 3doy n PRO 66 Ca 0.18 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.43 3doy n PRO 66 Cb 0.38 -2.46 0.29 0.00 -0.02 0.00 0.00 33.50 31.68 3doy n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3doy h GLY 67 N 5.85 1.20 2.00 -1.23 0.00 -1.99 -0.56 103.07 108.35 3doy h GLY 67 Ca -0.46 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 3doy h GLY 67 CO 0.87 0.25 -0.14 -0.39 0.00 0.00 0.00 176.54 177.13 3doy h VAL 68 N 0.91 0.51 0.00 4.60 -1.51 -2.00 -2.03 116.25 116.72 3doy h VAL 68 Ca 0.37 -0.71 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 3doy h VAL 68 Cb 0.28 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3doy h VAL 68 CO -0.14 0.14 -0.39 -0.07 -1.23 0.00 0.00 177.57 175.89 3doy h LEU 69 N 0.00 0.00 -0.26 4.19 3.38 -1.48 -2.16 115.31 118.98 3doy h LEU 69 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3doy h LEU 69 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3doy h LEU 69 CO 0.02 0.09 -0.31 0.40 0.09 0.00 0.00 178.44 178.73 3doy h ILE 70 N 0.00 1.31 -0.30 1.22 2.04 -0.96 -1.41 117.51 119.40 3doy h ILE 70 Ca -0.01 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.30 3doy h ILE 70 Cb 1.08 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 3doy h ILE 70 CO 0.01 0.47 -0.08 0.58 0.00 0.00 0.00 178.15 179.13 3doy h VAL 71 N 0.39 1.22 -0.49 1.67 2.07 -1.45 -1.58 116.25 118.08 3doy h VAL 71 Ca 0.04 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 3doy h VAL 71 Cb 0.88 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3doy h VAL 71 CO 0.07 0.31 0.00 -0.08 0.02 0.00 0.00 177.57 177.89 3doy h GLU 72 N 0.47 0.86 -0.52 1.57 4.57 -1.17 0.52 114.58 120.88 3doy h GLU 72 Ca 0.09 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3doy h GLU 72 Cb 0.43 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 3doy h GLU 72 CO 0.02 0.90 0.17 0.78 -1.18 0.00 0.00 179.01 179.70 3doy h GLY 73 N 0.72 0.83 0.94 1.92 0.00 -0.88 0.12 103.07 106.73 3doy h GLY 73 Ca 0.14 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3doy h GLY 73 CO 0.02 0.41 -0.16 -0.33 0.00 0.00 0.00 176.54 176.49 3doy h MET 74 N 0.76 0.68 -0.65 4.80 2.86 -0.90 -1.33 114.93 121.15 3doy h MET 74 Ca 0.18 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3doy h MET 74 Cb 0.21 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3doy h MET 74 CO -0.01 0.89 0.33 0.00 1.06 0.00 0.00 176.91 179.18 3doy h ALA 75 N 0.77 0.84 -0.49 6.32 0.00 -0.30 0.05 119.26 126.45 3doy h ALA 75 Ca 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3doy h ALA 75 Cb 0.69 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3doy h ALA 75 CO 0.05 0.39 0.32 1.96 0.00 0.00 0.00 179.25 181.97 3doy h GLN 76 N 0.90 0.64 -0.63 0.00 4.20 -0.65 0.13 115.11 119.71 3doy h GLN 76 Ca 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3doy h GLN 76 Cb 0.09 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3doy h GLN 76 CO -0.03 0.42 0.41 0.77 -0.67 0.00 0.00 178.83 179.73 3doy h SER 77 N 0.66 0.73 -0.69 1.46 0.02 -0.70 -0.37 113.55 114.66 3doy h SER 77 Ca 0.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3doy h SER 77 Cb -0.07 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3doy h SER 77 CO -0.04 0.53 0.41 1.23 -1.14 0.00 0.00 176.83 177.82 3doy h GLY 78 N 0.85 1.01 1.09 -3.77 0.00 -0.35 -1.57 103.07 100.33 3doy h GLY 78 Ca 0.23 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3doy h GLY 78 CO -0.05 0.42 0.51 -1.33 0.00 0.00 0.00 176.54 176.09 3doy h GLY 79 N 0.94 1.28 1.27 4.60 0.00 0.08 0.09 103.07 111.34 3doy h GLY 79 Ca 0.25 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 3doy h GLY 79 CO -0.04 0.53 -0.19 -2.75 0.00 0.00 0.00 176.54 174.08 3doy h PHE 80 N 1.21 0.95 0.36 5.60 3.57 -0.72 -1.81 116.94 126.10 3doy h PHE 80 Ca 0.31 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3doy h PHE 80 Cb -0.02 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.49 3doy h PHE 80 CO 0.01 0.96 -0.17 1.25 -2.23 0.00 0.00 178.31 178.12 3doy h LEU 81 N 0.73 -0.41 0.22 0.59 5.85 -0.55 -1.55 115.31 120.20 3doy h LEU 81 Ca 0.10 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3doy h LEU 81 Cb 0.72 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3doy h LEU 81 CO 0.06 -0.21 -0.44 0.00 -0.34 0.00 0.00 178.44 177.50 3doy h ALA 82 N 0.03 -0.86 -0.20 1.25 0.00 -0.96 -0.97 119.26 117.56 3doy h ALA 82 Ca -0.05 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3doy h ALA 82 Cb 0.43 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 3doy h ALA 82 CO 0.08 -1.04 -0.21 0.35 0.00 0.00 0.00 179.25 178.43 3doy h PHE 83 N -0.75 -0.56 0.00 0.00 3.57 -1.30 -1.40 116.94 116.50 3doy h PHE 83 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3doy h PHE 83 Cb 0.73 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 3doy h PHE 83 CO -0.34 -0.29 -0.14 1.79 -2.23 0.00 0.00 178.31 177.10 3doy h THR 84 N -0.24 1.09 -0.48 4.41 1.35 -1.17 -1.59 112.91 116.28 3doy h THR 84 Ca 0.12 -0.47 -0.05 0.00 -0.55 0.00 0.00 66.41 65.46 3doy h THR 84 Cb 0.42 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 3doy h THR 84 CO -0.34 0.13 0.09 0.28 -0.25 0.00 0.00 175.52 175.44 3doy h SER 85 N 0.00 0.69 0.32 5.36 0.02 -0.07 0.45 113.55 120.33 3doy h SER 85 Ca -0.00 -0.13 -0.33 0.00 -0.84 0.00 0.00 61.79 60.49 3doy h SER 85 Cb 0.25 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3doy h SER 85 CO 0.02 0.70 -1.65 -0.07 -1.14 0.00 0.00 176.83 174.69 3doy h LEU 86 N 0.71 0.49 -0.62 5.07 4.07 -0.97 -3.42 115.31 120.64 3doy h LEU 86 Ca 0.16 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3doy h LEU 86 Cb 0.31 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3doy h LEU 86 CO 0.00 1.61 0.00 0.79 -1.08 0.00 0.00 178.44 179.76 3doy n TRP 87 N -3.51 0.00 -4.52 1.13 8.01 -0.66 -5.13 117.44 112.76 3doy n TRP 87 Ca -0.21 -0.03 0.00 0.00 -1.31 0.00 0.00 57.50 55.95 3doy n TRP 87 Cb 1.06 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.36 3doy n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3doy n GLY 88 N -0.03 -0.15 3.53 6.99 0.00 0.16 -4.20 105.19 111.48 3doy n GLY 88 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3doy n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3doy s PHE 89 N 0.00 2.76 -0.42 1.61 5.36 -1.26 -4.30 117.98 121.72 3doy s PHE 89 Ca 0.00 -1.13 0.02 0.00 -0.96 0.00 0.00 56.93 54.86 3doy s PHE 89 Cb 0.00 -4.58 0.13 0.00 -0.34 0.00 0.00 43.02 38.23 3doy s PHE 89 CO 0.00 -1.78 0.21 0.34 -1.46 0.00 0.00 175.22 172.53 3doy s ASP 90 N 4.44 3.85 0.25 6.13 -1.08 -1.26 -5.00 116.67 124.00 3doy s ASP 90 Ca 0.43 -2.51 -0.04 0.00 -0.52 0.00 0.00 52.55 49.92 3doy s ASP 90 Cb -0.01 -1.12 0.43 0.00 -1.46 0.00 0.00 42.92 40.76 3doy s ASP 90 CO -0.08 -0.29 1.78 -0.65 0.52 0.00 0.00 175.17 176.45 3doy h PRO 91 N 6.95 0.65 0.16 4.34 0.11 -1.91 -0.45 132.00 141.84 3doy h PRO 91 Ca -0.04 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.04 3doy h PRO 91 Cb 0.94 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3doy h PRO 91 CO 0.51 0.43 -0.20 0.93 -0.21 0.00 0.00 178.00 179.46 3doy h GLU 92 N 0.67 -0.39 -0.18 1.05 5.08 -1.94 -2.40 114.58 116.47 3doy h GLU 92 Ca 0.41 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.72 3doy h GLU 92 Cb 0.48 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3doy h GLU 92 CO -0.30 -0.26 -0.21 0.82 -1.00 0.00 0.00 179.01 178.06 3doy h ILE 93 N -0.41 1.23 -0.91 3.13 2.04 -1.90 -2.90 117.51 117.80 3doy h ILE 93 Ca 0.01 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 64.88 3doy h ILE 93 Cb 0.40 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 3doy h ILE 93 CO -0.07 0.33 0.56 0.00 0.00 0.00 0.00 178.15 178.97 3doy h ALA 94 N 1.50 1.29 0.00 1.87 0.00 -0.61 -0.40 119.26 122.91 3doy h ALA 94 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3doy h ALA 94 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3doy h ALA 94 CO 0.04 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.17 3doy n LYS 95 N -4.63 0.14 -0.04 0.00 5.02 -0.97 -2.16 118.16 115.53 3doy n LYS 95 Ca 0.15 0.57 0.08 0.00 -2.02 0.00 0.00 58.31 57.09 3doy n LYS 95 Cb 0.24 -1.90 0.09 0.00 -0.02 0.00 0.00 35.03 33.44 3doy n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3doy n THR 96 N -2.19 0.15 -4.37 -0.18 -2.24 -0.17 -4.85 114.28 100.43 3doy n THR 96 Ca -0.00 -0.57 -0.24 0.00 -2.27 0.00 0.00 64.05 60.97 3doy n THR 96 Cb 0.08 1.22 -0.09 0.00 -2.10 0.00 0.00 70.33 69.45 3doy n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3doy s LYS 97 N -1.32 2.02 -0.09 -0.78 -0.14 -0.92 -0.32 119.74 118.20 3doy s LYS 97 Ca 0.21 -1.63 -0.08 0.00 -1.36 0.00 0.00 55.97 53.12 3doy s LYS 97 Cb 0.14 -1.96 0.02 0.00 -1.68 0.00 0.00 37.83 34.36 3doy s LYS 97 CO 0.21 0.29 0.24 0.96 -0.76 0.00 0.00 175.35 176.30 3doy s ILE 98 N -2.44 -0.00 -0.40 2.17 -4.36 -0.68 -4.55 121.20 110.95 3doy s ILE 98 Ca 0.32 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 60.65 3doy s ILE 98 Cb -0.04 -0.34 0.08 0.00 1.25 0.00 0.00 42.46 43.41 3doy s ILE 98 CO 0.18 0.00 0.21 -0.69 0.24 0.00 0.00 174.94 174.88 3doy s VAL 99 N 0.18 3.79 0.10 8.37 1.01 -1.26 -1.46 120.40 131.14 3doy s VAL 99 Ca -0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.10 3doy s VAL 99 Cb -0.02 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 3doy s VAL 99 CO -0.00 -0.50 0.93 -0.31 0.00 0.00 0.00 175.10 175.22 3doy s TYR 100 N 1.32 3.81 -0.32 5.22 2.02 0.69 -4.86 117.35 125.22 3doy s TYR 100 Ca 0.03 1.75 -0.12 0.00 -0.37 0.00 0.00 57.07 58.37 3doy s TYR 100 Cb -0.22 -3.02 -0.02 0.00 -0.40 0.00 0.00 41.96 38.29 3doy s TYR 100 CO -0.00 0.22 0.22 -0.06 -1.57 0.00 0.00 175.55 174.36 3doy s PHE 101 N -0.04 3.22 -0.11 2.71 0.40 -1.26 0.33 117.98 123.22 3doy s PHE 101 Ca 0.45 -0.19 -0.19 0.00 -0.60 0.00 0.00 56.93 56.41 3doy s PHE 101 Cb -0.23 -2.44 -0.27 0.00 0.51 0.00 0.00 43.02 40.59 3doy s PHE 101 CO 0.29 -0.33 0.58 0.52 0.70 0.00 0.00 175.22 176.98 3doy h MET 102 N 8.45 0.20 -4.19 0.44 2.86 -1.12 -3.49 114.93 118.07 3doy h MET 102 Ca -0.32 -0.33 -0.14 0.00 -2.06 0.00 0.00 59.70 56.85 3doy h MET 102 Cb 1.16 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 32.80 3doy h MET 102 CO 0.61 1.16 -0.55 0.95 1.06 0.00 0.00 176.91 180.14 3doy s THR 103 N -2.43 0.13 -0.03 2.22 -4.23 -1.08 -4.99 115.64 105.22 3doy s THR 103 Ca -0.20 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3doy s THR 103 Cb 0.03 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 72.13 3doy s THR 103 CO 0.74 -0.60 0.07 -0.63 -0.54 0.00 0.00 174.62 173.67 3doy s ILE 104 N -3.97 -0.04 0.19 2.99 1.01 -1.26 -1.59 121.20 118.53 3doy s ILE 104 Ca 0.16 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 3doy s ILE 104 Cb 0.06 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.38 3doy s ILE 104 CO -0.03 0.06 0.22 -1.81 0.00 0.00 0.00 174.94 173.37 3doy s ASP 105 N 0.78 0.10 -1.62 3.58 1.11 -0.75 -4.94 116.67 114.94 3doy s ASP 105 Ca -0.06 -1.17 -0.10 0.00 0.18 0.00 0.00 52.55 51.40 3doy s ASP 105 Cb -0.09 0.42 0.09 0.00 1.07 0.00 0.00 42.92 44.41 3doy s ASP 105 CO -0.03 -0.90 0.44 0.29 1.18 0.00 0.00 175.17 176.15 3doy n LYS 106 N -0.26 -2.14 -3.12 8.23 4.76 -1.26 -1.15 118.16 123.22 3doy n LYS 106 Ca -0.01 0.26 -0.39 0.00 -2.87 0.00 0.00 58.31 55.29 3doy n LYS 106 Cb 0.64 -4.46 -0.05 0.00 -1.84 0.00 0.00 35.03 29.32 3doy n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3doy s VAL 107 N -3.76 5.08 -0.02 -0.18 1.01 -1.26 -3.98 120.40 117.30 3doy s VAL 107 Ca 0.36 1.30 0.01 0.00 0.00 0.00 0.00 61.98 63.65 3doy s VAL 107 Cb -0.20 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3doy s VAL 107 CO 0.96 0.26 -0.02 -0.54 0.00 0.00 0.00 175.10 175.75 3doy s LYS 108 N 0.86 0.36 -0.21 2.72 1.02 -0.90 -4.98 119.74 118.61 3doy s LYS 108 Ca 0.34 -0.03 -0.04 0.00 0.02 0.00 0.00 55.97 56.26 3doy s LYS 108 Cb -0.17 -0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 3doy s LYS 108 CO 0.15 -0.04 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.44 3doy s PHE 109 N 0.57 2.97 -0.19 3.18 0.40 -1.26 -1.60 117.98 122.05 3doy s PHE 109 Ca -0.06 -0.77 0.10 0.00 -0.60 0.00 0.00 56.93 55.60 3doy s PHE 109 Cb -0.09 -2.08 -0.19 0.00 0.51 0.00 0.00 43.02 41.17 3doy s PHE 109 CO -0.01 -0.43 -0.04 0.54 0.70 0.00 0.00 175.22 175.98 3doy n ARG 110 N 4.53 0.92 -4.01 0.44 1.74 -0.39 -4.98 116.66 114.92 3doy n ARG 110 Ca -0.18 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.78 3doy n ARG 110 Cb 0.51 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 30.35 3doy n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3doy s ILE 111 N -2.43 0.25 0.53 0.55 1.01 -1.15 -5.05 121.20 114.92 3doy s ILE 111 Ca -0.17 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 3doy s ILE 111 Cb 0.06 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 3doy s ILE 111 CO 0.64 0.12 1.25 -2.16 0.00 0.00 0.00 174.94 174.79 3doy s PRO 112 N 0.51 3.29 -0.10 2.79 0.04 -1.26 -4.83 135.00 135.45 3doy s PRO 112 Ca -0.05 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 3doy s PRO 112 Cb -0.08 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 3doy s PRO 112 CO -0.01 -0.98 0.04 0.08 0.04 0.00 0.00 177.00 176.16 3doy s VAL 113 N -1.47 4.60 0.20 -0.36 1.01 -1.26 -5.04 120.40 118.08 3doy s VAL 113 Ca 0.71 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 3doy s VAL 113 Cb -0.33 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3doy s VAL 113 CO 0.39 0.60 0.25 0.42 0.00 0.00 0.00 175.10 176.76 3doy s THR 114 N -0.84 0.02 0.10 3.92 -4.23 -1.26 -0.82 115.64 112.53 3doy s THR 114 Ca 0.13 -1.72 -0.35 0.00 -1.18 0.00 0.00 61.69 58.57 3doy s THR 114 Cb -0.12 -2.26 -0.15 0.00 1.34 0.00 0.00 72.50 71.32 3doy s THR 114 CO 0.03 -0.10 1.51 -2.65 -0.54 0.00 0.00 174.62 172.87 3doy n PRO 115 N -0.28 1.70 0.00 3.99 -0.02 -1.26 -1.51 135.00 137.63 3doy n PRO 115 Ca -0.01 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3doy n PRO 115 Cb 0.64 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3doy n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3doy n GLY 116 N 3.14 2.00 3.82 -1.23 0.00 0.17 -4.91 105.19 108.18 3doy n GLY 116 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3doy n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3doy s ASP 117 N -1.71 6.97 -0.54 1.61 -0.00 -0.57 -4.90 116.67 117.53 3doy s ASP 117 Ca 0.00 1.50 -0.09 0.00 -0.00 0.00 0.00 52.55 53.96 3doy s ASP 117 Cb 0.00 -2.46 0.14 0.00 -0.00 0.00 0.00 42.92 40.60 3doy s ASP 117 CO 0.00 -0.17 0.41 -0.60 -0.00 0.00 0.00 175.17 174.81 3doy s ARG 118 N -2.66 2.61 -0.60 8.23 3.52 -1.26 -1.17 118.95 127.62 3doy s ARG 118 Ca 0.53 -1.97 -0.28 0.00 -0.13 0.00 0.00 55.73 53.88 3doy s ARG 118 Cb -0.13 -3.95 0.02 0.00 -1.56 0.00 0.00 34.95 29.34 3doy s ARG 118 CO 0.18 -1.20 1.30 -1.17 -0.81 0.00 0.00 175.30 173.60 3doy s LEU 119 N 1.00 3.38 -0.29 -0.88 2.96 -0.77 -4.42 118.68 119.65 3doy s LEU 119 Ca 0.09 0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 53.94 3doy s LEU 119 Cb -0.23 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 3doy s LEU 119 CO -0.02 -1.65 0.29 -0.70 -1.32 0.00 0.00 176.35 172.95 3doy s GLU 120 N 5.34 3.86 -0.07 1.98 2.12 0.27 -1.12 118.70 131.08 3doy s GLU 120 Ca 0.45 -0.24 -0.19 0.00 0.36 0.00 0.00 54.97 55.36 3doy s GLU 120 Cb -0.09 -3.70 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 3doy s GLU 120 CO 0.23 -0.30 0.52 0.71 -0.54 0.00 0.00 175.26 175.88 3doy s TYR 121 N 1.92 3.59 -0.30 5.30 1.51 0.11 0.34 117.35 129.81 3doy s TYR 121 Ca 0.11 1.01 0.02 0.00 -1.01 0.00 0.00 57.07 57.20 3doy s TYR 121 Cb -0.16 -2.56 0.08 0.00 -0.11 0.00 0.00 41.96 39.21 3doy s TYR 121 CO 0.11 0.26 0.01 -1.01 -1.11 0.00 0.00 175.55 173.81 3doy s HIS 122 N 0.24 3.01 0.06 2.71 3.76 0.22 -1.80 115.29 123.49 3doy s HIS 122 Ca 0.28 -2.39 0.08 0.00 -0.15 0.00 0.00 55.06 52.88 3doy s HIS 122 Cb -0.16 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 3doy s HIS 122 CO 0.13 -0.89 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.41 3doy s LEU 123 N 1.17 2.21 0.08 0.89 1.02 -0.75 -0.50 118.68 122.80 3doy s LEU 123 Ca 0.04 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.64 3doy s LEU 123 Cb -0.19 -0.97 -0.03 0.00 0.02 0.00 0.00 46.19 45.02 3doy s LEU 123 CO -0.10 0.13 -0.09 -1.83 0.02 0.00 0.00 176.35 174.48 3doy s GLU 124 N -1.42 0.74 -0.05 1.70 -1.05 -0.50 -0.28 118.70 117.84 3doy s GLU 124 Ca 0.07 -1.05 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 3doy s GLU 124 Cb -0.09 -0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 33.15 3doy s GLU 124 CO 0.03 0.06 1.20 0.08 0.95 0.00 0.00 175.26 177.57 3doy s VAL 125 N -2.24 4.26 -0.13 1.83 1.01 0.78 -2.01 120.40 123.90 3doy s VAL 125 Ca 0.01 1.59 0.17 0.00 0.00 0.00 0.00 61.98 63.75 3doy s VAL 125 Cb -0.04 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.09 3doy s VAL 125 CO -0.01 0.00 0.43 0.18 0.00 0.00 0.00 175.10 175.70 3doy n LEU 126 N 5.18 0.40 -3.62 3.92 4.77 0.29 -4.94 117.00 122.99 3doy n LEU 126 Ca 0.11 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.20 3doy n LEU 126 Cb 0.46 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.76 3doy n LEU 126 CO 0.55 0.33 0.92 -0.75 -1.33 0.00 0.00 177.39 177.11 3doy s LYS 127 N -2.74 0.35 -0.23 3.23 2.20 -0.93 -4.97 119.74 116.64 3doy s LYS 127 Ca -0.07 0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.74 3doy s LYS 127 Cb 0.08 0.17 0.11 0.00 -1.51 0.00 0.00 37.83 36.68 3doy s LYS 127 CO 0.83 -0.08 0.26 -1.58 -0.36 0.00 0.00 175.35 174.42 3doy s HIS 128 N -0.48 -0.39 -0.30 4.03 5.65 -1.26 -0.12 115.29 122.42 3doy s HIS 128 Ca 0.04 0.17 0.01 0.00 0.25 0.00 0.00 55.06 55.52 3doy s HIS 128 Cb -0.03 -0.35 0.09 0.00 -1.18 0.00 0.00 32.58 31.11 3doy s HIS 128 CO -0.06 -0.71 0.05 0.15 -0.65 0.00 0.00 174.74 173.52 3doy s LYS 129 N 2.36 1.17 7.75 2.88 -0.14 -0.60 -5.02 119.74 128.15 3doy s LYS 129 Ca 0.08 -1.33 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 3doy s LYS 129 Cb -0.15 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 3doy s LYS 129 CO -0.19 -0.88 0.00 0.41 -0.76 0.00 0.00 175.35 173.93 3doy n GLY 130 N 4.60 2.76 0.14 -3.33 0.00 -1.26 -2.44 105.19 105.67 3doy n GLY 130 Ca -0.02 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.85 3doy n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3doy n MET 131 N 12.76 0.52 -3.34 1.61 2.81 -1.26 -4.87 117.12 125.34 3doy n MET 131 Ca 0.00 -0.28 -0.38 0.00 -1.81 0.00 0.00 57.70 55.23 3doy n MET 131 Cb 0.00 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 30.95 3doy n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3doy s ILE 132 N -2.68 5.19 -0.10 2.02 -1.09 -1.02 -0.86 121.20 122.66 3doy s ILE 132 Ca 0.20 0.86 0.03 0.00 -2.23 0.00 0.00 60.65 59.50 3doy s ILE 132 Cb 0.19 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3doy s ILE 132 CO 0.57 0.29 -0.19 0.26 -1.23 0.00 0.00 174.94 174.65 3doy s TRP 133 N 0.94 2.14 -0.23 3.97 0.52 0.39 -1.56 118.94 125.10 3doy s TRP 133 Ca 0.23 -0.92 -0.04 0.00 0.02 0.00 0.00 56.10 55.40 3doy s TRP 133 Cb -0.15 -1.48 0.00 0.00 -1.15 0.00 0.00 33.47 30.69 3doy s TRP 133 CO 0.09 -0.42 -0.03 -1.14 0.02 0.00 0.00 176.95 175.47 3doy s GLN 134 N 0.63 3.23 0.19 4.98 0.74 0.82 -0.52 119.66 129.74 3doy s GLN 134 Ca -0.14 -0.72 0.11 0.00 0.05 0.00 0.00 55.36 54.66 3doy s GLN 134 Cb -0.16 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 3doy s GLN 134 CO 0.04 -0.27 -0.23 0.54 -0.55 0.00 0.00 175.29 174.82 3doy s VAL 135 N 1.45 2.27 0.12 1.34 0.11 0.84 0.10 120.40 126.64 3doy s VAL 135 Ca 0.04 -2.03 -0.21 0.00 -2.93 0.00 0.00 61.98 56.85 3doy s VAL 135 Cb -0.15 -2.09 0.06 0.00 -1.53 0.00 0.00 36.38 32.67 3doy s VAL 135 CO -0.03 -0.16 0.53 -0.83 -3.33 0.00 0.00 175.10 171.27 3doy s GLY 136 N -2.71 -0.48 0.00 6.54 0.00 -0.85 0.20 107.32 110.02 3doy s GLY 136 Ca 0.20 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.29 3doy s GLY 136 CO 0.10 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.87 3doy n GLY 137 N -0.16 -0.60 3.29 0.20 0.00 -0.77 -1.41 105.19 105.75 3doy n GLY 137 Ca -0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 3doy n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3doy s THR 138 N -4.00 0.00 -0.05 2.61 -4.23 0.35 -2.01 115.64 108.30 3doy s THR 138 Ca 0.00 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.68 3doy s THR 138 Cb 0.00 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 3doy s THR 138 CO 0.00 0.00 -0.25 0.00 -0.54 0.00 0.00 174.62 173.83 3doy s ALA 139 N -3.92 2.16 0.07 3.99 0.00 -0.45 0.72 121.76 124.33 3doy s ALA 139 Ca 0.37 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3doy s ALA 139 Cb 0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3doy s ALA 139 CO 0.15 0.44 -0.10 -0.65 0.00 0.00 0.00 175.76 175.60 3doy s GLN 140 N -0.25 0.73 -0.22 0.00 -0.21 0.15 -0.67 119.66 119.19 3doy s GLN 140 Ca -0.01 -0.99 -0.02 0.00 0.02 0.00 0.00 55.36 54.36 3doy s GLN 140 Cb -0.13 -0.47 0.07 0.00 1.00 0.00 0.00 33.01 33.47 3doy s GLN 140 CO 0.03 0.08 0.03 0.08 -2.12 0.00 0.00 175.29 173.39 3doy s VAL 141 N -1.95 0.74 -1.24 1.09 1.01 -0.82 -0.57 120.40 118.67 3doy s VAL 141 Ca -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3doy s VAL 141 Cb -0.06 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3doy s VAL 141 CO 0.00 -0.28 1.07 -0.67 0.00 0.00 0.00 175.10 175.23 3doy n ASP 142 N 4.96 -4.69 0.00 3.32 2.03 -1.26 -2.92 116.55 117.99 3doy n ASP 142 Ca -0.08 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.68 3doy n ASP 142 Cb 0.46 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 35.98 3doy n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3doy n GLY 143 N -1.65 3.05 3.83 0.27 0.00 -1.26 -5.03 105.19 104.40 3doy n GLY 143 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3doy n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3doy s LYS 144 N -0.32 3.89 -0.09 1.61 1.02 -1.15 -5.04 119.74 119.66 3doy s LYS 144 Ca 0.00 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.04 3doy s LYS 144 Cb 0.00 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 3doy s LYS 144 CO 0.00 0.67 1.47 0.08 -0.92 0.00 0.00 175.35 176.65 3doy s VAL 145 N -0.97 3.87 -0.03 3.17 1.01 -1.26 -1.94 120.40 124.25 3doy s VAL 145 Ca 0.23 1.09 0.20 0.00 0.00 0.00 0.00 61.98 63.49 3doy s VAL 145 Cb -0.16 -3.70 -0.30 0.00 0.00 0.00 0.00 36.38 32.21 3doy s VAL 145 CO 0.12 -0.08 0.42 0.52 0.00 0.00 0.00 175.10 176.08 3doy n VAL 146 N 5.33 0.04 -3.58 2.92 0.31 0.16 -4.55 118.33 118.95 3doy n VAL 146 Ca 0.15 -0.46 -0.06 0.00 -0.01 0.00 0.00 64.34 63.97 3doy n VAL 146 Cb 0.44 0.03 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 3doy n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3doy s ALA 147 N -3.34 -1.89 0.03 3.52 0.00 -1.13 -1.26 121.76 117.70 3doy s ALA 147 Ca -0.07 0.94 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 3doy s ALA 147 Cb 0.12 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.58 3doy s ALA 147 CO 0.82 -0.77 0.18 -1.83 0.00 0.00 0.00 175.76 174.15 3doy s GLU 148 N -2.93 0.65 -0.07 0.00 -1.05 -0.63 -1.34 118.70 113.34 3doy s GLU 148 Ca 0.08 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 3doy s GLU 148 Cb -0.00 0.27 0.11 0.00 -0.44 0.00 0.00 34.13 34.07 3doy s GLU 148 CO -0.05 -0.18 0.97 0.00 0.95 0.00 0.00 175.26 176.94 3doy s ALA 149 N -2.40 -1.89 0.15 -0.84 0.00 -0.85 -2.12 121.76 113.80 3doy s ALA 149 Ca -0.06 1.24 0.10 0.00 0.00 0.00 0.00 51.96 53.23 3doy s ALA 149 Cb -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3doy s ALA 149 CO -0.03 -0.59 -0.18 -1.21 0.00 0.00 0.00 175.76 173.75 3doy s GLU 150 N -2.57 1.76 -0.09 0.00 2.02 -0.30 -1.84 118.70 117.68 3doy s GLU 150 Ca 0.04 -1.29 -0.13 0.00 0.02 0.00 0.00 54.97 53.61 3doy s GLU 150 Cb -0.01 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.20 3doy s GLU 150 CO -0.06 0.45 0.34 -0.51 0.02 0.00 0.00 175.26 175.50 3doy s LEU 151 N -2.43 0.72 -0.07 1.80 1.43 0.13 -1.81 118.68 118.45 3doy s LEU 151 Ca 0.20 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 3doy s LEU 151 Cb -0.09 1.23 0.00 0.00 0.03 0.00 0.00 46.19 47.36 3doy s LEU 151 CO 0.11 -0.24 -0.20 -0.75 0.23 0.00 0.00 176.35 175.51 3doy s LYS 152 N -0.35 2.35 0.12 1.70 2.20 -0.62 -0.11 119.74 125.03 3doy s LYS 152 Ca -0.05 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3doy s LYS 152 Cb -0.03 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 3doy s LYS 152 CO 0.02 0.19 -0.10 0.00 -0.36 0.00 0.00 175.35 175.09 3doy s ALA 153 N 0.28 1.27 0.02 3.13 0.00 0.32 -0.47 121.76 126.30 3doy s ALA 153 Ca -0.12 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.61 3doy s ALA 153 Cb -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3doy s ALA 153 CO 0.05 -0.05 -0.24 1.41 0.00 0.00 0.00 175.76 176.93 3doy s MET 154 N -3.16 1.76 -0.15 0.00 1.75 0.15 -0.46 119.30 119.19 3doy s MET 154 Ca 0.10 -0.98 -0.05 0.00 -1.25 0.00 0.00 55.69 53.51 3doy s MET 154 Cb -0.01 -1.84 -0.03 0.00 2.84 0.00 0.00 34.83 35.79 3doy s MET 154 CO 0.00 0.49 0.01 0.42 -0.65 0.00 0.00 175.02 175.29 3doy s ILE 155 N -0.71 4.38 0.15 10.11 1.01 -0.04 -0.23 121.20 135.87 3doy s ILE 155 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3doy s ILE 155 Cb -0.09 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.45 3doy s ILE 155 CO 0.01 0.51 0.19 0.00 0.00 0.00 0.00 174.94 175.65 3doy n ALA 156 N 3.18 -0.04 -2.35 9.38 0.00 -0.53 -4.85 120.51 125.31 3doy n ALA 156 Ca -0.17 -0.75 -0.38 0.00 0.00 0.00 0.00 53.44 52.13 3doy n ALA 156 Cb 0.53 0.61 -0.06 0.00 0.00 0.00 0.00 19.45 20.52 3doy n ALA 156 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3doy s GLU 157 N -2.41 4.17 0.00 0.00 0.41 -1.26 -1.68 118.70 117.93 3doy s GLU 157 Ca 0.14 0.67 0.32 0.00 -0.41 0.00 0.00 54.97 55.69 3doy s GLU 157 Cb -0.00 -3.25 1.90 0.00 -1.78 0.00 0.00 34.13 31.00 3doy s GLU 157 CO 0.10 0.61 2.22 -2.13 -0.49 0.00 0.00 175.26 175.58