#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doy s GLN 11 N 0.00 1.55 -0.09 -1.46 0.74 -1.26 -2.74 119.66 116.40 3doy s GLN 11 Ca 0.00 -0.50 0.02 0.00 0.05 0.00 0.00 55.36 54.93 3doy s GLN 11 Cb 0.00 -1.98 -0.02 0.00 1.10 0.00 0.00 33.01 32.11 3doy s GLN 11 CO 0.00 -0.39 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.13 3doy s PHE 12 N 1.62 2.72 0.49 1.67 0.40 -0.21 -4.96 117.98 119.70 3doy s PHE 12 Ca 0.01 -0.47 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 3doy s PHE 12 Cb -0.15 -1.73 0.04 0.00 0.51 0.00 0.00 43.02 41.69 3doy s PHE 12 CO -0.08 -0.06 0.67 -0.06 0.70 0.00 0.00 175.22 176.38 3doy s PHE 13 N -0.13 2.36 0.31 0.36 0.40 -1.26 -0.43 117.98 119.60 3doy s PHE 13 Ca -0.02 -0.46 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 3doy s PHE 13 Cb -0.14 -2.39 0.88 0.00 0.51 0.00 0.00 43.02 41.89 3doy s PHE 13 CO 0.04 -0.72 1.63 0.97 0.70 0.00 0.00 175.22 177.84 3doy h ILE 14 N 0.41 0.23 -0.89 0.64 6.09 -1.89 0.12 117.51 122.22 3doy h ILE 14 Ca -0.37 -0.06 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 3doy h ILE 14 Cb 1.28 0.03 -0.04 0.00 0.47 0.00 0.00 36.82 38.56 3doy h ILE 14 CO 0.44 0.03 0.51 -0.33 -3.07 0.00 0.00 178.15 175.73 3doy h GLU 15 N 0.18 1.23 -0.26 2.19 3.07 -1.94 0.18 114.58 119.23 3doy h GLU 15 Ca 0.64 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 59.34 3doy h GLU 15 Cb 1.39 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3doy h GLU 15 CO -0.70 0.89 0.05 0.45 -1.40 0.00 0.00 179.01 178.30 3doy h HIS 16 N 1.24 0.45 -0.73 4.33 3.86 -1.38 -2.64 115.15 120.28 3doy h HIS 16 Ca 0.32 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.52 3doy h HIS 16 Cb -0.00 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 3doy h HIS 16 CO 0.01 0.52 0.44 0.82 0.86 0.00 0.00 177.93 180.57 3doy h ILE 17 N 0.24 1.03 0.00 2.45 2.04 -0.69 -1.50 117.51 121.08 3doy h ILE 17 Ca 0.08 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3doy h ILE 17 Cb 0.31 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3doy h ILE 17 CO 0.00 0.15 -0.05 -0.07 0.00 0.00 0.00 178.15 178.18 3doy h LEU 18 N 0.82 0.00 0.00 1.44 3.38 -0.45 -0.13 115.31 120.37 3doy h LEU 18 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3doy h LEU 18 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3doy h LEU 18 CO -0.15 0.05 -0.35 1.56 0.09 0.00 0.00 178.44 179.64 3doy h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -0.92 -3.39 115.11 116.13 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 0.13 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 3doy h GLN 19 CO 0.01 0.00 -2.30 -0.89 -0.67 0.00 0.00 178.83 174.98 3doy n ILE 20 N -2.87 1.53 -2.96 2.54 2.08 -0.79 -4.54 119.36 114.34 3doy n ILE 20 Ca 0.03 -0.30 -0.40 0.00 0.56 0.00 0.00 62.75 62.64 3doy n ILE 20 Cb 0.53 -1.96 -0.06 0.00 -0.75 0.00 0.00 39.64 37.40 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 -7.58 4.57 0.19 1.39 1.43 -0.13 -4.88 118.68 113.67 3doy s LEU 21 Ca -0.37 1.63 0.26 0.00 -1.03 0.00 0.00 54.13 54.63 3doy s LEU 21 Cb 0.13 -3.31 0.86 0.00 0.03 0.00 0.00 46.19 43.90 3doy s LEU 21 CO 0.48 0.16 1.79 -0.81 0.23 0.00 0.00 176.35 178.21 3doy n PRO 22 N 1.85 0.23 -2.01 1.29 -0.04 -1.26 -4.69 135.00 130.36 3doy n PRO 22 Ca -0.05 0.19 -0.38 0.00 -0.04 0.00 0.00 63.50 63.22 3doy n PRO 22 Cb 0.49 -1.77 0.01 0.00 -0.04 0.00 0.00 33.50 32.19 3doy n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3doy s HIS 23 N -3.09 2.64 0.33 0.54 3.76 -1.26 -5.05 115.29 113.16 3doy s HIS 23 Ca 0.11 1.43 0.06 0.00 -0.15 0.00 0.00 55.06 56.51 3doy s HIS 23 Cb 0.13 -3.64 -0.03 0.00 1.11 0.00 0.00 32.58 30.15 3doy s HIS 23 CO 0.59 -2.22 0.24 1.03 -0.85 0.00 0.00 174.74 173.53 3doy s ARG 24 N -2.61 1.71 0.34 1.40 1.81 -1.26 -4.67 118.95 115.68 3doy s ARG 24 Ca 0.64 -1.99 -0.29 0.00 -1.72 0.00 0.00 55.73 52.37 3doy s ARG 24 Cb -0.36 0.20 -0.12 0.00 -0.45 0.00 0.00 34.95 34.22 3doy s ARG 24 CO 0.44 -0.60 1.45 0.98 -0.68 0.00 0.00 175.30 176.89 3doy n TYR 25 N -0.62 2.69 -1.73 -0.53 4.19 -1.26 0.77 117.16 120.67 3doy n TYR 25 Ca 0.05 0.44 -0.35 0.00 3.31 0.00 0.00 57.90 61.35 3doy n TYR 25 Cb 0.63 -2.51 0.05 0.00 0.49 0.00 0.00 39.34 38.01 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 0.95 2.88 0.00 2.98 -0.04 -1.26 -4.92 135.00 135.58 3doy n PRO 26 Ca 0.05 -3.58 0.00 0.00 -0.04 0.00 0.00 63.50 59.92 3doy n PRO 26 Cb 0.37 -2.28 0.00 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 -0.71 2.10 -3.15 0.54 2.81 0.23 -4.94 117.12 114.00 3doy n MET 27 Ca 0.55 -1.22 -0.44 0.00 -1.81 0.00 0.00 57.70 54.78 3doy n MET 27 Cb 0.53 -0.92 -0.06 0.00 -0.71 0.00 0.00 33.22 32.06 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 -0.73 5.05 -0.41 4.03 2.96 -0.99 -4.67 118.68 123.91 3doy s LEU 28 Ca 0.00 -1.02 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 3doy s LEU 28 Cb 0.00 -2.42 0.60 0.00 0.50 0.00 0.00 46.19 44.87 3doy s LEU 28 CO 0.00 -0.93 1.78 0.18 -1.32 0.00 0.00 176.35 176.05 3doy n LEU 29 N 6.19 5.98 -3.82 -0.68 4.77 -1.26 -4.89 117.00 123.30 3doy n LEU 29 Ca -0.07 -3.74 -0.24 0.00 -0.03 0.00 0.00 56.01 51.93 3doy n LEU 29 Cb 0.45 -0.78 -0.17 0.00 -2.33 0.00 0.00 43.42 40.59 3doy n LEU 29 CO 0.55 1.17 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.69 3doy s VAL 30 N -3.42 0.60 -0.11 4.08 1.01 -1.26 -4.61 120.40 116.68 3doy s VAL 30 Ca 0.54 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.56 3doy s VAL 30 Cb 0.46 -0.72 -0.24 0.00 0.00 0.00 0.00 36.38 35.89 3doy s VAL 30 CO 0.06 0.29 0.40 0.47 0.00 0.00 0.00 175.10 176.32 3doy n ASP 31 N 5.08 1.21 -3.58 3.32 8.00 -0.26 -4.93 116.55 125.38 3doy n ASP 31 Ca -0.09 0.24 -0.15 0.00 0.71 0.00 0.00 54.79 55.49 3doy n ASP 31 Cb 0.50 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 3doy n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3doy s ARG 32 N -2.56 0.99 -0.24 -1.24 3.52 -0.99 -2.94 118.95 115.49 3doy s ARG 32 Ca -0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 3doy s ARG 32 Cb 0.07 0.46 0.03 0.00 -1.56 0.00 0.00 34.95 33.95 3doy s ARG 32 CO 0.79 -0.33 -0.08 0.42 -0.81 0.00 0.00 175.30 175.29 3doy s ILE 33 N -1.85 2.70 -0.17 4.11 1.01 0.43 -1.27 121.20 126.17 3doy s ILE 33 Ca -0.08 -1.11 0.21 0.00 0.00 0.00 0.00 60.65 59.66 3doy s ILE 33 Cb -0.01 -2.38 -0.11 0.00 0.01 0.00 0.00 42.46 39.96 3doy s ILE 33 CO 0.03 0.19 0.84 0.35 0.00 0.00 0.00 174.94 176.35 3doy n THR 34 N 4.63 0.69 -3.75 2.92 -2.24 -0.44 -1.05 114.28 115.05 3doy n THR 34 Ca -0.16 -0.59 -0.13 0.00 -2.27 0.00 0.00 64.05 60.89 3doy n THR 34 Cb 0.46 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.24 0.54 -0.28 -0.78 2.02 -0.74 -4.55 118.70 111.68 3doy s GLU 35 Ca -0.03 0.17 -0.05 0.00 0.02 0.00 0.00 54.97 55.09 3doy s GLU 35 Cb 0.10 0.25 0.15 0.00 0.10 0.00 0.00 34.13 34.73 3doy s GLU 35 CO 0.82 -0.11 0.57 -1.17 0.02 0.00 0.00 175.26 175.38 3doy s LEU 36 N -0.53 -1.13 -0.25 1.80 2.96 -1.24 -1.77 118.68 118.53 3doy s LEU 36 Ca -0.06 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.89 3doy s LEU 36 Cb -0.04 1.99 0.03 0.00 0.50 0.00 0.00 46.19 48.67 3doy s LEU 36 CO 0.02 -0.25 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.63 3doy s GLN 37 N 2.81 2.75 0.22 1.98 -0.21 -0.01 -4.79 119.66 122.39 3doy s GLN 37 Ca 0.08 -1.03 -0.31 0.00 0.02 0.00 0.00 55.36 54.12 3doy s GLN 37 Cb -0.14 -2.96 -0.15 0.00 1.00 0.00 0.00 33.01 30.77 3doy s GLN 37 CO -0.19 -0.42 1.11 0.00 -2.12 0.00 0.00 175.29 173.67 3doy n ALA 38 N 4.63 -0.55 -0.84 6.09 0.00 -1.26 -1.06 120.51 127.52 3doy n ALA 38 Ca -0.16 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3doy n ALA 38 Cb 0.46 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 1.76 -4.05 0.08 0.00 4.13 -1.26 -4.69 115.26 111.23 3doy n ASN 39 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 3doy n ASN 39 Cb 0.27 -3.16 0.00 0.00 -1.54 0.00 0.00 39.78 35.36 3doy n ASN 39 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 3doy n GLN 40 N 0.01 0.00 -3.68 3.52 -0.06 -0.22 -4.63 117.38 112.33 3doy n GLN 40 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 3doy n GLN 40 Cb 0.34 -0.35 -0.02 0.00 -4.06 0.00 0.00 30.24 26.14 3doy n GLN 40 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3doy s LYS 41 N -1.98 1.23 -0.02 3.69 -2.85 -0.53 -0.83 119.74 118.45 3doy s LYS 41 Ca 0.00 -0.61 -0.08 0.00 -1.00 0.00 0.00 55.97 54.28 3doy s LYS 41 Cb 0.00 0.46 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 3doy s LYS 41 CO 0.00 -0.55 0.17 -1.50 0.10 0.00 0.00 175.35 173.56 3doy s ILE 42 N -3.42 0.06 -0.08 3.79 2.07 -0.06 -0.83 121.20 122.73 3doy s ILE 42 Ca 0.09 -0.47 -0.00 0.00 -1.41 0.00 0.00 60.65 58.86 3doy s ILE 42 Cb -0.02 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 42.20 3doy s ILE 42 CO -0.01 -0.26 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.03 3doy s VAL 43 N -0.94 0.67 0.24 4.00 1.01 -0.73 -2.06 120.40 122.59 3doy s VAL 43 Ca -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3doy s VAL 43 Cb -0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3doy s VAL 43 CO 0.01 0.30 0.30 0.00 0.00 0.00 0.00 175.10 175.71 3doy s ALA 44 N 1.64 0.60 0.15 5.51 0.00 -0.63 -1.33 121.76 127.70 3doy s ALA 44 Ca 0.01 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 3doy s ALA 44 Cb -0.13 1.25 0.01 0.00 0.00 0.00 0.00 23.12 24.25 3doy s ALA 44 CO -0.05 -0.72 0.34 1.52 0.00 0.00 0.00 175.76 176.86 3doy s TYR 45 N -3.98 0.09 -0.07 0.00 1.13 -0.39 0.19 117.35 114.33 3doy s TYR 45 Ca 0.32 -0.46 0.00 0.00 -1.41 0.00 0.00 57.07 55.52 3doy s TYR 45 Cb 0.03 0.11 0.02 0.00 -1.10 0.00 0.00 41.96 41.03 3doy s TYR 45 CO 0.12 -0.72 -0.05 0.21 -2.51 0.00 0.00 175.55 172.60 3doy s LYS 46 N -3.89 1.03 0.31 -3.49 2.20 0.17 -1.10 119.74 114.97 3doy s LYS 46 Ca 0.10 -0.13 -0.28 0.00 -0.36 0.00 0.00 55.97 55.30 3doy s LYS 46 Cb 0.02 -1.09 -0.09 0.00 -1.51 0.00 0.00 37.83 35.16 3doy s LYS 46 CO -0.06 -0.15 1.04 -0.80 -0.36 0.00 0.00 175.35 175.02 3doy s ASN 47 N 1.27 7.18 -0.19 1.43 0.01 -1.26 -1.13 114.94 122.25 3doy s ASN 47 Ca -0.05 2.10 -0.04 0.00 -0.71 0.00 0.00 52.86 54.17 3doy s ASN 47 Cb -0.14 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.90 3doy s ASN 47 CO -0.02 -0.19 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.71 3doy s ILE 48 N -1.36 3.67 0.12 0.60 -1.09 -0.05 -4.91 121.20 118.17 3doy s ILE 48 Ca 0.49 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 3doy s ILE 48 Cb -0.27 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 3doy s ILE 48 CO 0.34 0.45 -0.11 0.28 -1.23 0.00 0.00 174.94 174.67 3doy s THR 49 N 0.96 1.06 0.36 2.92 -1.32 -1.26 0.23 115.64 118.60 3doy s THR 49 Ca 0.00 -1.81 0.21 0.00 -1.21 0.00 0.00 61.69 58.88 3doy s THR 49 Cb -0.15 -1.57 0.21 0.00 -1.51 0.00 0.00 72.50 69.49 3doy s THR 49 CO 0.01 -0.62 1.95 0.15 -2.21 0.00 0.00 174.62 173.91 3doy h PHE 50 N 3.26 0.00 0.00 9.09 3.57 -1.96 -3.25 116.94 127.66 3doy h PHE 50 Ca -0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3doy h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3doy h PHE 50 CO 0.64 0.22 0.00 -1.71 -2.23 0.00 0.00 178.31 175.23 3doy n ASN 51 N -3.81 2.17 -4.35 0.41 4.05 -1.26 -4.75 115.26 107.72 3doy n ASN 51 Ca -0.02 -1.39 -0.32 0.00 0.45 0.00 0.00 54.58 53.31 3doy n ASN 51 Cb 0.32 -0.42 -0.15 0.00 1.23 0.00 0.00 39.78 40.76 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 0.73 2.82 0.43 1.20 2.02 -1.23 -5.02 118.70 119.64 3doy s GLU 52 Ca 0.00 -0.78 0.16 0.00 0.02 0.00 0.00 54.97 54.36 3doy s GLU 52 Cb 0.00 -2.37 1.05 0.00 0.10 0.00 0.00 34.13 32.92 3doy s GLU 52 CO 0.00 0.38 1.93 0.22 0.02 0.00 0.00 175.26 177.81 3doy h ASP 53 N 6.10 0.38 -0.97 -0.19 3.58 -1.94 -2.06 116.42 121.32 3doy h ASP 53 Ca -0.33 0.02 0.21 0.00 0.42 0.00 0.00 57.03 57.35 3doy h ASP 53 Cb 1.18 -0.06 -0.09 0.00 1.72 0.00 0.00 39.33 42.09 3doy h ASP 53 CO 0.50 0.20 0.62 0.58 -2.88 0.00 0.00 179.24 178.26 3doy h VAL 54 N 0.41 0.67 0.00 2.25 2.07 -1.95 -1.50 116.25 118.20 3doy h VAL 54 Ca 0.36 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3doy h VAL 54 Cb 0.83 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3doy h VAL 54 CO -0.11 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.07 3doy n PHE 55 N -4.64 0.41 0.19 1.57 0.99 -0.77 -2.42 117.46 112.79 3doy n PHE 55 Ca 0.22 0.17 0.03 0.00 -0.00 0.00 0.00 57.45 57.87 3doy n PHE 55 Cb 0.67 -0.78 0.40 0.00 -1.00 0.00 0.00 39.48 38.77 3doy n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3doy h ASN 56 N 0.00 0.02 0.00 4.37 2.35 -1.44 -3.29 115.58 117.59 3doy h ASN 56 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3doy h ASN 56 Cb 0.25 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3doy h ASN 56 CO 0.00 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 3doy n GLY 57 N -0.64 1.49 2.21 2.83 0.00 -1.01 -4.13 105.19 105.93 3doy n GLY 57 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.35 -0.33 -4.27 1.61 -0.00 -1.06 -4.49 115.22 106.33 3doy n HIS 58 Ca 0.00 -3.57 -0.15 0.00 -0.00 0.00 0.00 57.72 54.01 3doy n HIS 58 Cb 0.25 -0.30 -0.10 0.00 -0.00 0.00 0.00 29.99 29.84 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 -1.44 1.34 0.04 1.57 0.40 0.36 -0.96 117.98 119.29 3doy s PHE 59 Ca 0.36 -1.05 -0.34 0.00 -0.60 0.00 0.00 56.93 55.29 3doy s PHE 59 Cb 0.22 -0.77 -0.13 0.00 0.51 0.00 0.00 43.02 42.85 3doy s PHE 59 CO -0.11 -0.23 1.68 -2.30 0.70 0.00 0.00 175.22 174.97 3doy n PRO 60 N -0.32 2.03 -0.29 0.24 -0.02 -1.26 -0.99 135.00 134.39 3doy n PRO 60 Ca -0.05 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3doy n PRO 60 Cb 0.64 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 4.63 0.00 -3.29 2.55 3.02 -1.26 -4.88 115.26 116.02 3doy n ASN 61 Ca 0.20 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.56 3doy n ASN 61 Cb 0.27 -0.47 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3doy n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3doy s LYS 62 N -0.09 0.78 -0.18 3.52 2.20 -0.16 -5.12 119.74 120.68 3doy s LYS 62 Ca 0.00 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.03 3doy s LYS 62 Cb 0.00 -0.86 -0.04 0.00 -1.51 0.00 0.00 37.83 35.41 3doy s LYS 62 CO 0.00 -1.27 1.83 -2.14 -0.36 0.00 0.00 175.35 173.41 3doy s PRO 63 N 0.91 3.66 -0.04 4.03 0.02 -1.23 -0.49 135.00 141.86 3doy s PRO 63 Ca 0.24 1.89 -0.02 0.00 0.02 0.00 0.00 61.00 63.13 3doy s PRO 63 Cb -0.08 -4.15 0.03 0.00 0.02 0.00 0.00 34.50 30.32 3doy s PRO 63 CO -0.07 -1.47 0.05 0.42 -0.33 0.00 0.00 177.00 175.59 3doy s ILE 64 N 5.93 -0.04 0.04 2.83 1.01 -0.14 -4.57 121.20 126.27 3doy s ILE 64 Ca 0.82 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.54 3doy s ILE 64 Cb -0.30 -0.20 -0.08 0.00 0.01 0.00 0.00 42.46 41.90 3doy s ILE 64 CO 0.33 0.19 1.68 0.12 0.00 0.00 0.00 174.94 177.26 3doy s PHE 65 N 2.08 2.23 0.12 3.97 5.36 -0.08 -4.54 117.98 127.11 3doy s PHE 65 Ca 0.04 0.22 -0.35 0.00 -0.96 0.00 0.00 56.93 55.88 3doy s PHE 65 Cb -0.12 -3.98 -0.16 0.00 -0.34 0.00 0.00 43.02 38.42 3doy s PHE 65 CO -0.03 -4.03 1.39 -2.30 -1.46 0.00 0.00 175.22 168.79 3doy n PRO 66 N 6.07 1.44 0.05 10.12 -0.02 -1.26 -4.63 135.00 146.78 3doy n PRO 66 Ca 0.16 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 62.20 3doy n PRO 66 Cb 0.41 -2.18 0.44 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.78 0.45 2.00 -1.23 0.00 -1.99 -1.08 103.07 106.00 3doy h GLY 67 Ca -0.46 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 3doy h GLY 67 CO 0.80 0.18 -0.21 -0.39 0.00 0.00 0.00 176.54 176.92 3doy h VAL 68 N 0.42 0.50 0.00 4.60 -1.51 -2.00 -2.38 116.25 115.88 3doy h VAL 68 Ca 0.11 -1.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 3doy h VAL 68 Cb 0.05 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3doy h VAL 68 CO -0.01 0.21 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.39 3doy h LEU 69 N 0.00 0.00 -0.14 4.19 3.38 -1.57 -1.49 115.31 119.68 3doy h LEU 69 Ca -0.00 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 3doy h LEU 69 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3doy h LEU 69 CO 0.03 0.00 -0.85 0.40 0.09 0.00 0.00 178.44 178.10 3doy h ILE 70 N 0.00 1.29 -0.47 1.22 2.04 -0.93 -2.31 117.51 118.35 3doy h ILE 70 Ca 0.00 -2.08 -0.10 0.00 1.00 0.00 0.00 64.86 63.69 3doy h ILE 70 Cb 0.94 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 3doy h ILE 70 CO 0.00 0.65 -0.09 0.58 0.00 0.00 0.00 178.15 179.29 3doy h VAL 71 N 0.47 1.27 -0.87 1.67 2.07 -1.34 -2.06 116.25 117.45 3doy h VAL 71 Ca -0.07 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3doy h VAL 71 Cb 1.49 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 3doy h VAL 71 CO 0.17 0.42 0.55 -0.08 0.02 0.00 0.00 177.57 178.65 3doy h GLU 72 N 0.74 1.17 -0.18 1.57 4.57 -1.25 0.84 114.58 122.04 3doy h GLU 72 Ca 0.12 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3doy h GLU 72 Cb 0.63 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3doy h GLU 72 CO 0.04 0.80 -0.25 0.78 -1.18 0.00 0.00 179.01 179.20 3doy h GLY 73 N 1.20 0.35 1.50 1.92 0.00 -1.09 -0.32 103.07 106.63 3doy h GLY 73 Ca 0.32 -0.27 -0.21 0.00 0.00 0.00 0.00 47.33 47.17 3doy h GLY 73 CO -0.06 0.25 -0.83 -0.33 0.00 0.00 0.00 176.54 175.56 3doy h MET 74 N 0.29 0.47 0.08 4.80 2.86 -0.59 -2.36 114.93 120.49 3doy h MET 74 Ca 0.05 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3doy h MET 74 Cb 0.60 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3doy h MET 74 CO 0.04 1.08 -0.04 0.00 1.06 0.00 0.00 176.91 179.05 3doy h ALA 75 N 0.79 -0.11 -0.95 6.32 0.00 -0.47 0.22 119.26 125.06 3doy h ALA 75 Ca -0.06 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3doy h ALA 75 Cb 1.44 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 3doy h ALA 75 CO 0.15 -0.48 0.62 1.96 0.00 0.00 0.00 179.25 181.50 3doy h GLN 76 N -0.27 1.07 -0.27 0.00 4.20 -1.07 0.34 115.11 119.11 3doy h GLN 76 Ca -0.01 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3doy h GLN 76 Cb 0.23 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3doy h GLN 76 CO 0.02 0.71 -0.00 0.77 -0.67 0.00 0.00 178.83 179.65 3doy h SER 77 N 1.10 0.46 -0.70 1.46 0.02 -1.16 -0.68 113.55 114.05 3doy h SER 77 Ca 0.41 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3doy h SER 77 Cb 0.18 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3doy h SER 77 CO -0.15 0.66 0.28 1.23 -1.14 0.00 0.00 176.83 177.71 3doy h GLY 78 N 0.25 1.14 1.52 -3.77 0.00 -0.10 -0.77 103.07 101.36 3doy h GLY 78 Ca 0.08 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3doy h GLY 78 CO 0.01 0.58 -0.22 -1.33 0.00 0.00 0.00 176.54 175.58 3doy h GLY 79 N 1.10 0.60 1.40 4.60 0.00 -0.21 0.29 103.07 110.85 3doy h GLY 79 Ca 0.24 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 3doy h GLY 79 CO -0.02 0.45 -0.11 -2.75 0.00 0.00 0.00 176.54 174.10 3doy h PHE 80 N 0.50 0.78 0.48 5.60 3.57 -0.47 -1.35 116.94 126.06 3doy h PHE 80 Ca 0.08 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 3doy h PHE 80 Cb 0.66 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3doy h PHE 80 CO 0.02 0.80 -0.23 1.25 -2.23 0.00 0.00 178.31 177.92 3doy h LEU 81 N 0.65 -0.55 -0.35 0.59 5.85 -0.63 -2.08 115.31 118.79 3doy h LEU 81 Ca 0.11 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3doy h LEU 81 Cb 0.57 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 3doy h LEU 81 CO 0.04 -0.20 -0.20 0.00 -0.34 0.00 0.00 178.44 177.74 3doy h ALA 82 N -0.62 0.04 0.25 1.25 0.00 -0.88 -0.96 119.26 118.34 3doy h ALA 82 Ca -0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3doy h ALA 82 Cb 0.60 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3doy h ALA 82 CO 0.11 -0.58 -0.14 0.35 0.00 0.00 0.00 179.25 178.98 3doy h PHE 83 N -0.15 -0.37 0.00 0.00 3.57 -1.28 -2.90 116.94 115.81 3doy h PHE 83 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3doy h PHE 83 Cb 0.42 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 3doy h PHE 83 CO -0.42 -0.23 -0.16 1.79 -2.23 0.00 0.00 178.31 177.07 3doy h THR 84 N -0.37 0.55 -0.56 4.41 1.35 -1.18 -1.02 112.91 116.09 3doy h THR 84 Ca -0.03 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 65.03 3doy h THR 84 Cb 0.31 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3doy h THR 84 CO 0.03 0.16 0.16 0.28 -0.25 0.00 0.00 175.52 175.90 3doy h SER 85 N 0.00 0.84 0.13 5.36 0.02 -0.98 0.77 113.55 119.70 3doy h SER 85 Ca -0.00 -0.22 -0.19 0.00 -0.84 0.00 0.00 61.79 60.54 3doy h SER 85 Cb 0.49 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.83 3doy h SER 85 CO 0.02 0.84 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.60 3doy h LEU 86 N 0.80 0.44 -0.81 5.07 3.38 -1.35 -3.41 115.31 119.42 3doy h LEU 86 Ca 0.18 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.21 3doy h LEU 86 Cb 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3doy h LEU 86 CO -0.00 1.41 -0.05 0.79 0.09 0.00 0.00 178.44 180.68 3doy n TRP 87 N -4.12 0.00 -4.70 1.13 8.01 -0.42 -5.12 117.44 112.23 3doy n TRP 87 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3doy n TRP 87 Cb 0.82 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.12 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 0.50 0.14 3.56 6.99 0.00 0.27 -4.11 105.19 112.53 3doy n GLY 88 Ca 0.02 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 2.66 -0.43 1.61 5.36 -1.26 -4.41 117.98 121.51 3doy s PHE 89 Ca 0.00 -1.14 0.02 0.00 -0.96 0.00 0.00 56.93 54.86 3doy s PHE 89 Cb 0.00 -4.68 0.13 0.00 -0.34 0.00 0.00 43.02 38.12 3doy s PHE 89 CO 0.00 -1.86 0.21 0.34 -1.46 0.00 0.00 175.22 172.45 3doy s ASP 90 N 4.63 3.87 0.26 6.13 -1.08 -1.26 -4.99 116.67 124.24 3doy s ASP 90 Ca 0.48 -2.56 -0.02 0.00 -0.52 0.00 0.00 52.55 49.93 3doy s ASP 90 Cb 0.01 -1.16 0.42 0.00 -1.46 0.00 0.00 42.92 40.73 3doy s ASP 90 CO -0.04 -0.28 1.87 -0.65 0.52 0.00 0.00 175.17 176.58 3doy h PRO 91 N 6.89 1.06 0.29 4.34 0.11 -1.90 -0.40 132.00 142.40 3doy h PRO 91 Ca -0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3doy h PRO 91 Cb 0.94 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 3doy h PRO 91 CO 0.52 0.70 -0.16 0.93 -0.21 0.00 0.00 178.00 179.79 3doy h GLU 92 N 1.10 -0.41 -0.50 1.05 5.08 -1.94 -2.63 114.58 116.33 3doy h GLU 92 Ca 0.44 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.74 3doy h GLU 92 Cb 0.24 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3doy h GLU 92 CO -0.19 -0.27 -0.02 0.82 -1.00 0.00 0.00 179.01 178.35 3doy h ILE 93 N -0.42 1.25 -1.05 3.13 1.08 -1.94 -2.78 117.51 116.78 3doy h ILE 93 Ca -0.04 -1.06 0.28 0.00 -0.39 0.00 0.00 64.86 63.65 3doy h ILE 93 Cb 0.34 0.89 -0.08 0.00 -3.07 0.00 0.00 36.82 34.90 3doy h ILE 93 CO 0.05 0.38 0.69 0.00 -0.69 0.00 0.00 178.15 178.58 3doy h ALA 94 N 1.19 2.42 0.00 1.87 0.00 -0.72 0.39 119.26 124.41 3doy h ALA 94 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3doy h ALA 94 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3doy h ALA 94 CO 0.02 -0.80 0.00 1.63 0.00 0.00 0.00 179.25 180.10 3doy n LYS 95 N -4.52 0.23 -0.29 0.00 5.02 -1.04 -3.04 118.16 114.51 3doy n LYS 95 Ca 0.25 0.34 0.10 0.00 -2.02 0.00 0.00 58.31 56.98 3doy n LYS 95 Cb 0.94 -1.85 0.26 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.27 0.90 -4.23 -0.18 -2.24 0.14 -4.77 114.28 101.63 3doy n THR 96 Ca 0.04 -0.95 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 3doy n THR 96 Cb 0.32 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.07 1.00 -0.04 -0.78 -0.14 -1.17 -1.19 119.74 116.34 3doy s LYS 97 Ca 0.41 -1.33 -0.01 0.00 -1.36 0.00 0.00 55.97 53.67 3doy s LYS 97 Cb 0.22 -0.65 0.03 0.00 -1.68 0.00 0.00 37.83 35.75 3doy s LYS 97 CO 0.29 0.10 0.08 -1.50 -0.76 0.00 0.00 175.35 173.55 3doy s ILE 98 N -2.87 -0.07 -0.52 2.17 1.10 0.61 -4.53 121.20 117.09 3doy s ILE 98 Ca 0.12 0.24 -0.07 0.00 -0.51 0.00 0.00 60.65 60.43 3doy s ILE 98 Cb -0.00 -0.15 0.13 0.00 0.15 0.00 0.00 42.46 42.59 3doy s ILE 98 CO 0.01 0.10 0.37 -0.69 -2.11 0.00 0.00 174.94 172.62 3doy s VAL 99 N 1.29 4.06 0.27 4.00 1.01 -1.26 -0.95 120.40 128.82 3doy s VAL 99 Ca -0.07 -2.10 0.06 0.00 0.00 0.00 0.00 61.98 59.87 3doy s VAL 99 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3doy s VAL 99 CO -0.04 -0.80 0.29 -0.72 0.00 0.00 0.00 175.10 173.83 3doy s TYR 100 N 0.97 3.18 -0.15 5.22 1.13 -1.04 -4.90 117.35 121.76 3doy s TYR 100 Ca 0.09 -0.13 -0.07 0.00 -1.41 0.00 0.00 57.07 55.55 3doy s TYR 100 Cb -0.23 -1.59 -0.04 0.00 -1.10 0.00 0.00 41.96 39.00 3doy s TYR 100 CO -0.03 0.38 0.10 -0.06 -2.51 0.00 0.00 175.55 173.43 3doy s PHE 101 N -2.12 3.40 -0.20 -3.49 0.40 -1.26 -1.45 117.98 113.26 3doy s PHE 101 Ca 0.36 0.31 -0.15 0.00 -0.60 0.00 0.00 56.93 56.84 3doy s PHE 101 Cb -0.08 -2.01 -0.20 0.00 0.51 0.00 0.00 43.02 41.24 3doy s PHE 101 CO 0.27 0.43 0.14 -1.33 0.70 0.00 0.00 175.22 175.43 3doy n MET 102 N 2.81 0.62 -4.25 0.44 2.81 -0.28 -4.99 117.12 114.29 3doy n MET 102 Ca -0.18 0.43 -0.14 0.00 -1.81 0.00 0.00 57.70 56.00 3doy n MET 102 Cb 0.53 -1.69 -0.10 0.00 -0.71 0.00 0.00 33.22 31.25 3doy n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3doy s THR 103 N -2.44 0.55 -0.15 2.03 -4.23 -1.18 -5.01 115.64 105.21 3doy s THR 103 Ca -0.29 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.14 3doy s THR 103 Cb 0.08 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.71 3doy s THR 103 CO 0.62 -0.33 0.37 -0.63 -0.54 0.00 0.00 174.62 174.10 3doy s ILE 104 N -3.75 -0.02 0.27 2.99 1.01 -1.26 -1.83 121.20 118.61 3doy s ILE 104 Ca 0.28 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 3doy s ILE 104 Cb 0.07 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 3doy s ILE 104 CO 0.07 0.03 0.45 -0.62 0.00 0.00 0.00 174.94 174.87 3doy s ASP 105 N 0.99 0.16 -1.51 3.58 3.68 0.11 -4.94 116.67 118.73 3doy s ASP 105 Ca -0.06 -1.11 -0.06 0.00 2.13 0.00 0.00 52.55 53.45 3doy s ASP 105 Cb -0.07 0.59 0.05 0.00 -1.45 0.00 0.00 42.92 42.04 3doy s ASP 105 CO -0.08 -1.17 0.50 0.29 0.13 0.00 0.00 175.17 174.84 3doy n LYS 106 N -0.42 -3.09 -3.42 4.34 4.76 -1.26 -0.91 118.16 118.16 3doy n LYS 106 Ca -0.01 0.37 -0.38 0.00 -2.87 0.00 0.00 58.31 55.42 3doy n LYS 106 Cb 0.62 -4.63 -0.06 0.00 -1.84 0.00 0.00 35.03 29.13 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 -3.79 5.01 -0.11 -0.18 1.01 -1.26 -3.85 120.40 117.23 3doy s VAL 107 Ca 0.23 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.06 3doy s VAL 107 Cb -0.12 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.53 3doy s VAL 107 CO 0.91 0.52 0.26 -0.54 0.00 0.00 0.00 175.10 176.26 3doy s LYS 108 N -0.74 0.26 -0.17 2.72 1.02 -0.70 -4.99 119.74 117.14 3doy s LYS 108 Ca 0.25 0.48 -0.04 0.00 0.02 0.00 0.00 55.97 56.68 3doy s LYS 108 Cb -0.17 -0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.12 3doy s LYS 108 CO 0.14 -0.11 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.36 3doy s PHE 109 N 0.80 3.00 -0.10 3.18 0.40 -1.26 -1.96 117.98 122.04 3doy s PHE 109 Ca -0.05 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 3doy s PHE 109 Cb -0.07 -1.99 -0.08 0.00 0.51 0.00 0.00 43.02 41.40 3doy s PHE 109 CO -0.05 -0.14 -0.07 0.54 0.70 0.00 0.00 175.22 176.20 3doy n ARG 110 N 3.80 0.79 -4.20 0.44 1.74 -0.17 -4.99 116.66 114.07 3doy n ARG 110 Ca -0.17 0.05 -0.18 0.00 -0.77 0.00 0.00 57.85 56.78 3doy n ARG 110 Cb 0.52 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.22 0.51 0.26 0.55 1.01 -1.11 -5.03 121.20 115.17 3doy s ILE 111 Ca -0.12 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 3doy s ILE 111 Cb 0.03 -0.46 -0.09 0.00 0.01 0.00 0.00 42.46 41.95 3doy s ILE 111 CO 0.27 0.17 1.24 -2.16 0.00 0.00 0.00 174.94 174.46 3doy s PRO 112 N 0.22 4.46 -0.21 2.79 0.04 -1.26 -4.82 135.00 136.22 3doy s PRO 112 Ca -0.02 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 3doy s PRO 112 Cb -0.07 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 3doy s PRO 112 CO -0.00 -0.08 0.22 0.08 0.04 0.00 0.00 177.00 177.26 3doy s VAL 113 N -0.67 5.33 0.34 -0.36 1.01 -1.26 -5.03 120.40 119.76 3doy s VAL 113 Ca 0.50 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.88 3doy s VAL 113 Cb -0.36 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3doy s VAL 113 CO 0.44 0.35 0.02 0.42 0.00 0.00 0.00 175.10 176.32 3doy s THR 114 N 0.91 1.55 0.20 3.92 -4.23 -1.26 -0.91 115.64 115.81 3doy s THR 114 Ca 0.11 -2.03 -0.33 0.00 -1.18 0.00 0.00 61.69 58.26 3doy s THR 114 Cb -0.13 -2.78 -0.13 0.00 1.34 0.00 0.00 72.50 70.79 3doy s THR 114 CO 0.04 -0.07 1.56 -2.65 -0.54 0.00 0.00 174.62 172.96 3doy n PRO 115 N -0.75 2.25 0.00 3.99 -0.02 -1.26 -1.88 135.00 137.33 3doy n PRO 115 Ca -0.04 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3doy n PRO 115 Cb 0.66 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.06 2.17 3.84 -1.23 0.00 0.14 -4.90 105.19 108.27 3doy n GLY 116 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.74 6.86 -0.46 1.61 -0.00 -0.79 -4.90 116.67 117.25 3doy s ASP 117 Ca 0.00 1.27 -0.12 0.00 -0.00 0.00 0.00 52.55 53.70 3doy s ASP 117 Cb 0.00 -2.36 0.09 0.00 -0.00 0.00 0.00 42.92 40.64 3doy s ASP 117 CO 0.00 -0.08 0.35 -0.60 -0.00 0.00 0.00 175.17 174.83 3doy s ARG 118 N -2.54 2.78 -0.62 8.23 3.52 -1.26 -0.87 118.95 128.19 3doy s ARG 118 Ca 0.48 -1.47 -0.26 0.00 -0.13 0.00 0.00 55.73 54.35 3doy s ARG 118 Cb -0.13 -3.98 0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3doy s ARG 118 CO 0.19 -1.04 1.12 -1.17 -0.81 0.00 0.00 175.30 173.59 3doy s LEU 119 N 1.52 3.65 -0.15 -0.88 2.96 -0.28 -4.38 118.68 121.12 3doy s LEU 119 Ca 0.04 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.50 3doy s LEU 119 Cb -0.25 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 3doy s LEU 119 CO 0.04 -1.50 0.47 -0.70 -1.32 0.00 0.00 176.35 173.34 3doy s GLU 120 N 4.79 4.27 -0.19 1.98 2.12 0.54 -0.65 118.70 131.56 3doy s GLU 120 Ca 0.35 0.39 -0.12 0.00 0.36 0.00 0.00 54.97 55.96 3doy s GLU 120 Cb -0.10 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 3doy s GLU 120 CO 0.20 0.05 0.20 0.71 -0.54 0.00 0.00 175.26 175.87 3doy s TYR 121 N 0.99 3.42 -0.36 5.30 1.51 0.52 0.24 117.35 128.96 3doy s TYR 121 Ca 0.24 0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.75 3doy s TYR 121 Cb -0.15 -2.24 0.11 0.00 -0.11 0.00 0.00 41.96 39.57 3doy s TYR 121 CO 0.09 0.25 0.11 -1.01 -1.11 0.00 0.00 175.55 173.88 3doy s HIS 122 N 0.48 2.88 0.07 2.71 3.76 0.43 -1.60 115.29 124.02 3doy s HIS 122 Ca 0.11 -2.58 0.08 0.00 -0.15 0.00 0.00 55.06 52.52 3doy s HIS 122 Cb -0.12 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.10 3doy s HIS 122 CO 0.01 -0.89 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.30 3doy s LEU 123 N 0.92 2.56 0.08 0.89 2.01 -0.87 -0.67 118.68 123.59 3doy s LEU 123 Ca 0.12 -0.51 0.03 0.00 0.01 0.00 0.00 54.13 53.77 3doy s LEU 123 Cb -0.20 -1.47 -0.03 0.00 0.01 0.00 0.00 46.19 44.49 3doy s LEU 123 CO -0.11 0.23 -0.08 -1.83 1.01 0.00 0.00 176.35 175.56 3doy s GLU 124 N -1.68 0.75 -0.39 1.70 -1.05 -0.06 -0.88 118.70 117.09 3doy s GLU 124 Ca 0.15 -1.10 -0.28 0.00 -0.15 0.00 0.00 54.97 53.59 3doy s GLU 124 Cb -0.10 -0.34 0.02 0.00 -0.44 0.00 0.00 34.13 33.27 3doy s GLU 124 CO 0.06 0.04 1.05 0.08 0.95 0.00 0.00 175.26 177.44 3doy s VAL 125 N -2.56 4.43 0.01 1.83 1.01 -0.01 -1.62 120.40 123.49 3doy s VAL 125 Ca 0.03 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.21 3doy s VAL 125 Cb -0.02 -4.45 -0.22 0.00 0.00 0.00 0.00 36.38 31.69 3doy s VAL 125 CO -0.02 -0.68 1.13 -0.07 0.00 0.00 0.00 175.10 175.47 3doy h LEU 126 N 10.46 0.52 -7.00 3.92 3.38 -0.51 -3.48 115.31 122.61 3doy h LEU 126 Ca -0.22 -0.72 0.15 0.00 0.09 0.00 0.00 57.88 57.17 3doy h LEU 126 Cb 1.07 -0.16 -0.19 0.00 0.09 0.00 0.00 40.66 41.47 3doy h LEU 126 CO 1.05 1.17 0.62 -1.59 0.09 0.00 0.00 178.44 179.78 3doy s LYS 127 N -3.36 0.58 -0.07 1.13 -2.85 -1.07 -5.03 119.74 109.08 3doy s LYS 127 Ca -0.13 -0.11 -0.18 0.00 -1.00 0.00 0.00 55.97 54.55 3doy s LYS 127 Cb 0.04 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.12 3doy s LYS 127 CO 0.81 -0.23 0.41 -3.38 0.10 0.00 0.00 175.35 173.07 3doy s HIS 128 N -2.25 -0.36 -0.22 1.78 -3.43 -1.26 -0.22 115.29 109.33 3doy s HIS 128 Ca 0.04 0.72 -0.04 0.00 -0.80 0.00 0.00 55.06 54.99 3doy s HIS 128 Cb -0.01 0.17 0.11 0.00 -1.43 0.00 0.00 32.58 31.43 3doy s HIS 128 CO -0.05 -0.37 0.37 0.21 -2.00 0.00 0.00 174.74 172.90 3doy s LYS 129 N -0.76 0.31 7.32 -0.38 2.20 -0.44 -5.02 119.74 122.98 3doy s LYS 129 Ca -0.08 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 3doy s LYS 129 Cb -0.04 -0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 3doy s LYS 129 CO 0.04 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 3doy n GLY 130 N 5.37 2.48 0.99 5.54 0.00 -1.26 -2.15 105.19 116.16 3doy n GLY 130 Ca -0.05 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 13.27 2.25 -3.68 1.61 2.81 -1.26 -4.82 117.12 127.31 3doy n MET 131 Ca 0.00 -1.94 -0.39 0.00 -1.81 0.00 0.00 57.70 53.56 3doy n MET 131 Cb 0.00 -1.43 -0.12 0.00 -0.71 0.00 0.00 33.22 30.96 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 -1.33 4.30 -0.06 2.02 1.01 -0.91 -0.63 121.20 125.60 3doy s ILE 132 Ca 0.37 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3doy s ILE 132 Cb 0.19 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 3doy s ILE 132 CO 0.26 -0.04 -0.19 0.26 0.00 0.00 0.00 174.94 175.23 3doy s TRP 133 N 1.54 2.60 -0.21 3.97 0.52 -0.88 -1.32 118.94 125.14 3doy s TRP 133 Ca 0.02 -0.46 -0.00 0.00 0.02 0.00 0.00 56.10 55.69 3doy s TRP 133 Cb -0.18 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.52 3doy s TRP 133 CO 0.05 -0.04 -0.13 -0.65 0.02 0.00 0.00 176.95 176.20 3doy s GLN 134 N -0.34 2.92 0.35 4.98 -0.21 0.69 -0.15 119.66 127.90 3doy s GLN 134 Ca 0.02 -0.90 0.09 0.00 0.02 0.00 0.00 55.36 54.59 3doy s GLN 134 Cb -0.12 -2.78 -0.06 0.00 1.00 0.00 0.00 33.01 31.04 3doy s GLN 134 CO 0.02 -0.30 -0.02 0.14 -2.12 0.00 0.00 175.29 173.01 3doy s VAL 135 N 1.30 2.46 0.11 1.09 -7.23 -0.16 0.26 120.40 118.23 3doy s VAL 135 Ca 0.02 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 57.89 3doy s VAL 135 Cb -0.15 -2.76 0.08 0.00 0.56 0.00 0.00 36.38 34.11 3doy s VAL 135 CO -0.08 -0.19 0.79 -0.83 -0.31 0.00 0.00 175.10 174.48 3doy s GLY 136 N -3.69 -0.44 0.00 2.32 0.00 -0.64 -0.70 107.32 104.17 3doy s GLY 136 Ca 0.34 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.62 3doy s GLY 136 CO 0.18 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.07 3doy n GLY 137 N -0.35 -0.51 3.22 0.20 0.00 -0.67 -0.89 105.19 106.20 3doy n GLY 137 Ca -0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 0.19 -0.13 2.61 -4.23 0.15 -1.95 115.64 108.28 3doy s THR 138 Ca 0.00 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3doy s THR 138 Cb 0.00 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3doy s THR 138 CO 0.00 -0.11 -0.13 0.00 -0.54 0.00 0.00 174.62 173.83 3doy s ALA 139 N -4.01 2.60 0.02 3.99 0.00 -0.09 -0.43 121.76 123.83 3doy s ALA 139 Ca 0.35 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.44 3doy s ALA 139 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 3doy s ALA 139 CO 0.10 0.20 -0.13 -0.65 0.00 0.00 0.00 175.76 175.28 3doy s GLN 140 N 0.43 0.96 -0.18 0.00 -0.21 0.14 -0.23 119.66 120.57 3doy s GLN 140 Ca -0.10 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.65 3doy s GLN 140 Cb -0.16 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 32.94 3doy s GLN 140 CO 0.05 0.24 -0.11 0.08 -2.12 0.00 0.00 175.29 173.44 3doy s VAL 141 N -0.64 1.53 -1.31 1.09 1.01 -0.51 -0.34 120.40 121.23 3doy s VAL 141 Ca 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3doy s VAL 141 Cb -0.07 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 3doy s VAL 141 CO 0.01 0.26 0.60 -0.67 0.00 0.00 0.00 175.10 175.30 3doy n ASP 142 N 4.74 -1.72 0.00 3.32 2.03 -1.26 -2.10 116.55 121.56 3doy n ASP 142 Ca -0.15 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.23 3doy n ASP 142 Cb 0.48 -3.54 0.00 0.00 -0.72 0.00 0.00 41.12 37.34 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 -1.76 2.82 3.89 0.27 0.00 -1.26 -5.01 105.19 104.15 3doy n GLY 143 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 3.47 -0.17 1.61 -0.14 -0.89 -5.06 119.74 118.56 3doy s LYS 144 Ca 0.00 -0.20 -0.29 0.00 -1.36 0.00 0.00 55.97 54.12 3doy s LYS 144 Cb 0.00 -3.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.01 3doy s LYS 144 CO 0.00 0.70 1.24 0.08 -0.76 0.00 0.00 175.35 176.62 3doy s VAL 145 N -1.22 4.31 -0.32 3.17 1.01 -1.26 -1.43 120.40 124.66 3doy s VAL 145 Ca 0.23 1.59 0.17 0.00 0.00 0.00 0.00 61.98 63.97 3doy s VAL 145 Cb -0.13 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 3doy s VAL 145 CO 0.14 -0.14 0.50 1.33 0.00 0.00 0.00 175.10 176.93 3doy n VAL 146 N 5.34 0.00 -3.60 2.92 0.24 0.69 -4.53 118.33 119.39 3doy n VAL 146 Ca 0.14 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.08 3doy n VAL 146 Cb 0.45 0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 3doy n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3doy s ALA 147 N -2.94 -1.66 -0.03 2.33 0.00 -1.05 -1.00 121.76 117.41 3doy s ALA 147 Ca -0.01 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.31 3doy s ALA 147 Cb 0.12 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.89 3doy s ALA 147 CO 0.70 -0.85 0.30 -1.83 0.00 0.00 0.00 175.76 174.08 3doy s GLU 148 N -3.39 0.60 0.02 0.00 -1.05 -0.83 -0.92 118.70 113.13 3doy s GLU 148 Ca 0.07 -0.08 -0.28 0.00 -0.15 0.00 0.00 54.97 54.53 3doy s GLU 148 Cb -0.02 0.27 0.09 0.00 -0.44 0.00 0.00 34.13 34.04 3doy s GLU 148 CO -0.05 -0.15 0.81 0.00 0.95 0.00 0.00 175.26 176.82 3doy s ALA 149 N -1.05 -1.77 -0.03 -0.84 0.00 -0.82 -1.72 121.76 115.52 3doy s ALA 149 Ca -0.11 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.86 3doy s ALA 149 Cb -0.05 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3doy s ALA 149 CO 0.03 -0.65 -0.19 -1.21 0.00 0.00 0.00 175.76 173.75 3doy s GLU 150 N -2.93 1.79 0.05 0.00 2.02 -0.09 -1.67 118.70 117.88 3doy s GLU 150 Ca 0.02 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.35 3doy s GLU 150 Cb -0.01 -1.61 -0.03 0.00 0.10 0.00 0.00 34.13 32.58 3doy s GLU 150 CO -0.07 0.32 -0.05 -0.51 0.02 0.00 0.00 175.26 174.96 3doy s LEU 151 N -0.16 2.37 -0.23 1.80 1.02 0.12 0.05 118.68 123.65 3doy s LEU 151 Ca 0.00 -0.75 -0.00 0.00 0.02 0.00 0.00 54.13 53.40 3doy s LEU 151 Cb -0.10 -0.00 0.06 0.00 0.02 0.00 0.00 46.19 46.17 3doy s LEU 151 CO 0.01 -0.38 -0.02 -0.75 0.02 0.00 0.00 176.35 175.23 3doy s LYS 152 N -2.63 1.33 0.44 1.70 2.20 -0.76 -0.99 119.74 121.03 3doy s LYS 152 Ca -0.02 -0.84 0.05 0.00 -0.36 0.00 0.00 55.97 54.80 3doy s LYS 152 Cb -0.02 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 3doy s LYS 152 CO -0.03 -0.62 0.62 0.00 -0.36 0.00 0.00 175.35 174.95 3doy s ALA 153 N 1.52 4.22 -0.04 3.13 0.00 0.79 -1.12 121.76 130.26 3doy s ALA 153 Ca -0.04 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.44 3doy s ALA 153 Cb -0.18 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.15 3doy s ALA 153 CO -0.07 -0.37 0.03 1.41 0.00 0.00 0.00 175.76 176.76 3doy s MET 154 N -4.45 0.15 -0.26 0.00 0.00 -0.53 -2.08 119.30 112.14 3doy s MET 154 Ca 0.53 0.24 -0.14 0.00 0.00 0.00 0.00 55.69 56.32 3doy s MET 154 Cb -0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 34.83 34.11 3doy s MET 154 CO 0.35 -0.27 0.30 0.42 0.00 0.00 0.00 175.02 175.82 3doy s ILE 155 N 1.78 5.24 0.36 10.11 1.01 0.20 -2.51 121.20 137.40 3doy s ILE 155 Ca 0.01 0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.14 3doy s ILE 155 Cb -0.12 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3doy s ILE 155 CO -0.03 0.22 0.14 0.00 0.00 0.00 0.00 174.94 175.27 3doy s ALA 156 N 1.72 2.52 0.10 9.38 0.00 -0.13 -4.80 121.76 130.56 3doy s ALA 156 Ca 0.13 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 3doy s ALA 156 Cb -0.15 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3doy s ALA 156 CO 0.09 -0.40 0.97 -1.21 0.00 0.00 0.00 175.76 175.20 3doy s GLU 157 N -3.74 4.68 0.00 0.00 0.41 -1.26 -0.28 118.70 118.50 3doy s GLU 157 Ca 0.30 1.46 0.00 0.00 -0.41 0.00 0.00 54.97 56.32 3doy s GLU 157 Cb 0.04 -3.38 0.02 0.00 -1.78 0.00 0.00 34.13 29.02 3doy s GLU 157 CO 0.16 0.17 0.52 -2.13 -0.49 0.00 0.00 175.26 173.49