#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 0.18 -3.82 2.61 2.88 -1.26 -4.81 113.62 109.40 3doy n SER 10 Ca 0.00 -0.53 -0.19 0.00 -1.33 0.00 0.00 58.87 56.82 3doy n SER 10 Cb 0.00 0.62 -0.16 0.00 -0.75 0.00 0.00 64.21 63.91 3doy n SER 10 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3doy s GLN 11 N -0.62 0.45 -0.02 -1.46 0.74 -1.26 -3.20 119.66 114.29 3doy s GLN 11 Ca 0.00 0.05 0.04 0.00 0.05 0.00 0.00 55.36 55.50 3doy s GLN 11 Cb 0.00 -0.64 -0.01 0.00 1.10 0.00 0.00 33.01 33.47 3doy s GLN 11 CO 0.00 -0.16 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.38 3doy s PHE 12 N 1.19 1.34 0.51 1.67 0.40 -1.00 -4.99 117.98 117.10 3doy s PHE 12 Ca -0.07 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 3doy s PHE 12 Cb -0.13 -0.88 0.05 0.00 0.51 0.00 0.00 43.02 42.57 3doy s PHE 12 CO -0.02 -0.06 0.70 -0.06 0.70 0.00 0.00 175.22 176.48 3doy s PHE 13 N -0.19 2.11 0.39 0.36 0.40 -1.26 -0.74 117.98 119.05 3doy s PHE 13 Ca 0.03 -0.53 0.20 0.00 -0.60 0.00 0.00 56.93 56.03 3doy s PHE 13 Cb -0.07 -2.35 1.17 0.00 0.51 0.00 0.00 43.02 42.28 3doy s PHE 13 CO 0.00 -0.84 1.71 0.97 0.70 0.00 0.00 175.22 177.76 3doy h ILE 14 N 0.35 0.38 0.00 0.64 6.09 -1.90 0.36 117.51 123.43 3doy h ILE 14 Ca -0.35 -0.11 -0.06 0.00 -1.37 0.00 0.00 64.86 62.97 3doy h ILE 14 Cb 1.28 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 3doy h ILE 14 CO 0.43 0.06 -0.30 1.05 -3.07 0.00 0.00 178.15 176.31 3doy h GLU 15 N 0.32 0.00 0.21 2.19 9.09 -1.94 -1.24 114.58 123.21 3doy h GLU 15 Ca 0.68 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.78 3doy h GLU 15 Cb 1.79 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.92 3doy h GLU 15 CO -0.39 0.30 -1.41 0.45 0.05 0.00 0.00 179.01 178.01 3doy h HIS 16 N 0.00 0.80 -0.52 2.06 3.86 -0.70 -3.23 115.15 117.42 3doy h HIS 16 Ca -0.00 -0.59 0.00 0.00 -1.16 0.00 0.00 60.37 58.62 3doy h HIS 16 Cb 0.66 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 3doy h HIS 16 CO 0.00 1.55 0.33 0.82 0.86 0.00 0.00 177.93 181.49 3doy h ILE 17 N 0.00 1.14 -0.38 2.45 2.04 -1.03 -1.70 117.51 120.02 3doy h ILE 17 Ca -0.26 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3doy h ILE 17 Cb 2.02 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3doy h ILE 17 CO 0.21 0.14 0.03 -0.07 0.00 0.00 0.00 178.15 178.47 3doy h LEU 18 N 0.71 0.56 0.00 1.44 4.07 -1.30 -0.54 115.31 120.24 3doy h LEU 18 Ca 0.19 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.05 3doy h LEU 18 Cb -0.06 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.54 3doy h LEU 18 CO -0.04 0.61 0.00 0.00 -1.08 0.00 0.00 178.44 177.93 3doy n GLN 19 N -4.28 0.10 -0.04 1.13 6.02 -0.66 -4.27 117.38 115.38 3doy n GLN 19 Ca 0.02 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 3doy n GLN 19 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 3doy n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3doy n ILE 20 N -1.45 0.85 -2.84 5.09 2.08 -0.96 -4.30 119.36 117.83 3doy n ILE 20 Ca 0.09 -0.02 -0.38 0.00 0.56 0.00 0.00 62.75 62.99 3doy n ILE 20 Cb 0.31 -1.73 -0.06 0.00 -0.75 0.00 0.00 39.64 37.41 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 -6.85 4.47 0.30 1.39 1.43 -0.25 -4.79 118.68 114.38 3doy s LEU 21 Ca -0.15 1.79 0.25 0.00 -1.03 0.00 0.00 54.13 54.99 3doy s LEU 21 Cb 0.05 -3.74 0.67 0.00 0.03 0.00 0.00 46.19 43.19 3doy s LEU 21 CO 0.19 0.05 1.72 1.55 0.23 0.00 0.00 176.35 180.10 3doy h PRO 22 N 3.65 0.00 -6.85 1.29 0.13 -1.88 -3.44 132.00 124.90 3doy h PRO 22 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 3doy h PRO 22 Cb 1.20 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.40 3doy h PRO 22 CO 0.66 0.00 0.75 -1.01 -0.23 0.00 0.00 178.00 178.17 3doy s HIS 23 N -3.15 2.87 0.38 1.56 3.76 -1.26 -5.03 115.29 114.41 3doy s HIS 23 Ca 0.09 1.15 0.04 0.00 -0.15 0.00 0.00 55.06 56.19 3doy s HIS 23 Cb 0.10 -3.87 -0.03 0.00 1.11 0.00 0.00 32.58 29.89 3doy s HIS 23 CO 0.61 -2.64 0.16 1.03 -0.85 0.00 0.00 174.74 173.05 3doy s ARG 24 N -1.30 1.85 0.32 1.40 1.81 -1.26 -4.65 118.95 117.13 3doy s ARG 24 Ca 0.55 -2.11 -0.29 0.00 -1.72 0.00 0.00 55.73 52.16 3doy s ARG 24 Cb -0.43 -0.38 -0.12 0.00 -0.45 0.00 0.00 34.95 33.57 3doy s ARG 24 CO 0.52 -0.50 1.48 0.98 -0.68 0.00 0.00 175.30 177.11 3doy n TYR 25 N -0.81 2.70 -1.84 -0.53 9.36 -1.26 0.24 117.16 125.02 3doy n TYR 25 Ca -0.03 0.39 -0.37 0.00 3.32 0.00 0.00 57.90 61.22 3doy n TYR 25 Cb 0.64 -2.53 0.04 0.00 -0.63 0.00 0.00 39.34 36.87 3doy n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3doy n PRO 26 N 1.34 2.85 -0.09 2.98 -0.04 -1.26 -4.94 135.00 135.84 3doy n PRO 26 Ca 0.06 -3.60 0.02 0.00 -0.04 0.00 0.00 63.50 59.94 3doy n PRO 26 Cb 0.37 -2.27 0.02 0.00 -0.04 0.00 0.00 33.50 31.58 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 -0.64 1.26 -3.27 0.54 2.81 0.14 -4.94 117.12 113.02 3doy n MET 27 Ca 0.54 -1.29 -0.45 0.00 -1.81 0.00 0.00 57.70 54.69 3doy n MET 27 Cb 0.42 -0.85 -0.05 0.00 -0.71 0.00 0.00 33.22 32.03 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 -0.84 5.80 -0.49 4.03 2.96 -1.06 -4.67 118.68 124.42 3doy s LEU 28 Ca 0.06 -1.55 0.03 0.00 -0.22 0.00 0.00 54.13 52.44 3doy s LEU 28 Cb 0.05 -2.24 0.48 0.00 0.50 0.00 0.00 46.19 44.98 3doy s LEU 28 CO 0.01 -0.88 1.70 0.18 -1.32 0.00 0.00 176.35 176.03 3doy n LEU 29 N 5.57 6.31 -3.78 -0.68 4.77 -1.26 -4.90 117.00 123.03 3doy n LEU 29 Ca -0.12 -4.30 -0.16 0.00 -0.03 0.00 0.00 56.01 51.40 3doy n LEU 29 Cb 0.42 -0.73 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 3doy n LEU 29 CO 0.54 1.60 -0.36 -0.69 -1.33 0.00 0.00 177.39 177.15 3doy s VAL 30 N -4.40 0.02 -0.18 4.08 1.01 -1.26 -4.59 120.40 115.08 3doy s VAL 30 Ca 0.57 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.82 3doy s VAL 30 Cb 0.46 -0.15 -0.17 0.00 0.00 0.00 0.00 36.38 36.52 3doy s VAL 30 CO 0.02 0.11 -0.05 0.47 0.00 0.00 0.00 175.10 175.65 3doy n ASP 31 N 4.24 1.72 -3.69 3.32 8.00 -0.03 -4.96 116.55 125.14 3doy n ASP 31 Ca -0.26 -0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.05 3doy n ASP 31 Cb 0.50 0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.39 0.74 -0.18 -1.24 3.52 -1.02 -2.81 118.95 115.57 3doy s ARG 32 Ca -0.17 0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.50 3doy s ARG 32 Cb 0.06 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.76 3doy s ARG 32 CO 0.56 -0.19 -0.02 0.42 -0.81 0.00 0.00 175.30 175.26 3doy s ILE 33 N -0.94 3.89 -0.13 4.11 -1.09 0.08 -1.52 121.20 125.61 3doy s ILE 33 Ca -0.10 -0.35 0.16 0.00 -2.23 0.00 0.00 60.65 58.14 3doy s ILE 33 Cb -0.03 -2.73 -0.24 0.00 -1.58 0.00 0.00 42.46 37.88 3doy s ILE 33 CO 0.05 0.46 0.16 0.35 -1.23 0.00 0.00 174.94 174.73 3doy n THR 34 N 3.89 0.86 -3.74 2.92 -2.24 -0.01 -2.37 114.28 113.59 3doy n THR 34 Ca -0.17 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 3doy n THR 34 Cb 0.52 -0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 3doy n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3doy s GLU 35 N -2.66 0.36 -0.14 -0.78 2.12 -0.88 -4.57 118.70 112.13 3doy s GLU 35 Ca -0.08 0.53 -0.06 0.00 0.36 0.00 0.00 54.97 55.72 3doy s GLU 35 Cb 0.07 0.09 0.06 0.00 0.26 0.00 0.00 34.13 34.61 3doy s GLU 35 CO 0.73 -0.09 0.32 -1.17 -0.54 0.00 0.00 175.26 174.51 3doy s LEU 36 N 0.60 -0.04 -0.26 2.70 0.20 -1.22 -0.57 118.68 120.09 3doy s LEU 36 Ca -0.03 0.71 0.03 0.00 0.69 0.00 0.00 54.13 55.52 3doy s LEU 36 Cb -0.05 0.98 0.06 0.00 -0.43 0.00 0.00 46.19 46.75 3doy s LEU 36 CO -0.04 -0.20 -0.09 -1.10 -0.29 0.00 0.00 176.35 174.63 3doy s GLN 37 N 1.75 2.09 -0.13 1.98 -0.21 -0.19 -4.76 119.66 120.19 3doy s GLN 37 Ca -0.06 -1.31 -0.41 0.00 0.02 0.00 0.00 55.36 53.60 3doy s GLN 37 Cb -0.10 -2.85 -0.19 0.00 1.00 0.00 0.00 33.01 30.87 3doy s GLN 37 CO -0.10 -0.59 1.35 0.00 -2.12 0.00 0.00 175.29 173.82 3doy n ALA 38 N 4.46 -2.02 -1.23 6.09 0.00 -1.26 -0.69 120.51 125.86 3doy n ALA 38 Ca -0.13 0.53 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 3doy n ALA 38 Cb 0.42 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 2.85 -5.55 0.06 0.00 4.13 -1.26 -4.77 115.26 110.72 3doy n ASN 39 Ca 0.23 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.69 3doy n ASN 39 Cb 0.08 -3.74 0.00 0.00 -1.54 0.00 0.00 39.78 34.58 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 -0.64 0.00 -3.85 3.52 6.02 0.13 -4.67 117.38 117.90 3doy n GLN 40 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.84 3doy n GLN 40 Cb 0.53 -0.28 -0.02 0.00 1.02 0.00 0.00 30.24 31.49 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 -2.00 1.77 -0.18 -1.09 -2.85 -1.00 0.43 119.74 114.81 3doy s LYS 41 Ca 0.00 -0.98 -0.22 0.00 -1.00 0.00 0.00 55.97 53.77 3doy s LYS 41 Cb 0.00 0.60 0.06 0.00 -2.06 0.00 0.00 37.83 36.42 3doy s LYS 41 CO 0.00 -0.81 0.59 -1.50 0.10 0.00 0.00 175.35 173.73 3doy s ILE 42 N -3.83 0.00 -0.12 3.79 2.07 0.37 -1.02 121.20 122.47 3doy s ILE 42 Ca 0.11 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 3doy s ILE 42 Cb -0.06 -0.84 0.02 0.00 0.13 0.00 0.00 42.46 41.71 3doy s ILE 42 CO 0.07 -0.02 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.25 3doy s VAL 43 N -0.04 1.48 0.19 4.00 1.01 0.27 -1.49 120.40 125.82 3doy s VAL 43 Ca -0.03 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3doy s VAL 43 Cb -0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3doy s VAL 43 CO 0.03 0.44 0.19 0.00 0.00 0.00 0.00 175.10 175.76 3doy n ALA 44 N 4.40 0.26 -3.49 5.51 0.00 -0.46 -0.83 120.51 125.90 3doy n ALA 44 Ca -0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 53.44 52.10 3doy n ALA 44 Cb 0.51 0.86 -0.02 0.00 0.00 0.00 0.00 19.45 20.79 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 -3.03 -0.40 -0.07 0.00 1.13 -0.57 0.16 117.35 114.57 3doy s TYR 45 Ca 0.21 0.27 0.01 0.00 -1.41 0.00 0.00 57.07 56.16 3doy s TYR 45 Cb 0.01 0.54 0.02 0.00 -1.10 0.00 0.00 41.96 41.42 3doy s TYR 45 CO 0.15 -0.61 -0.10 0.21 -2.51 0.00 0.00 175.55 172.69 3doy s LYS 46 N -3.16 1.57 0.32 -3.49 2.20 -0.06 -0.85 119.74 116.27 3doy s LYS 46 Ca 0.04 -0.35 -0.28 0.00 -0.36 0.00 0.00 55.97 55.02 3doy s LYS 46 Cb -0.01 -1.39 -0.09 0.00 -1.51 0.00 0.00 37.83 34.82 3doy s LYS 46 CO -0.09 -0.05 1.08 -0.80 -0.36 0.00 0.00 175.35 175.13 3doy s ASN 47 N 0.94 7.09 -0.24 1.43 0.01 -1.26 -1.75 114.94 121.16 3doy s ASN 47 Ca -0.10 2.19 -0.06 0.00 -0.71 0.00 0.00 52.86 54.18 3doy s ASN 47 Cb -0.15 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.87 3doy s ASN 47 CO 0.01 -0.26 0.04 -0.63 -1.51 0.00 0.00 177.10 174.75 3doy s ILE 48 N -1.32 4.08 0.12 0.60 -1.09 0.03 -4.92 121.20 118.70 3doy s ILE 48 Ca 0.49 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.72 3doy s ILE 48 Cb -0.29 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3doy s ILE 48 CO 0.37 0.36 -0.15 0.28 -1.23 0.00 0.00 174.94 174.57 3doy s THR 49 N 1.56 1.37 0.33 2.92 -1.32 -1.26 -0.33 115.64 118.91 3doy s THR 49 Ca 0.06 -1.72 0.27 0.00 -1.21 0.00 0.00 61.69 59.09 3doy s THR 49 Cb -0.15 -1.54 0.28 0.00 -1.51 0.00 0.00 72.50 69.58 3doy s THR 49 CO 0.02 -0.39 2.00 0.15 -2.21 0.00 0.00 174.62 174.19 3doy h PHE 50 N 3.53 0.00 0.00 9.09 3.57 -1.96 -3.25 116.94 127.93 3doy h PHE 50 Ca -0.40 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 3doy h PHE 50 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 3doy h PHE 50 CO 0.65 0.15 -0.00 -1.71 -2.23 0.00 0.00 178.31 175.17 3doy n ASN 51 N -3.53 3.95 -4.19 0.41 5.15 -1.26 -4.76 115.26 111.02 3doy n ASN 51 Ca -0.01 -2.04 -0.30 0.00 -0.60 0.00 0.00 54.58 51.62 3doy n ASN 51 Cb 0.29 -0.84 -0.17 0.00 -0.53 0.00 0.00 39.78 38.54 3doy n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3doy s GLU 52 N 0.53 2.68 0.34 1.20 2.02 -1.23 -5.03 118.70 119.21 3doy s GLU 52 Ca 0.00 -0.80 0.10 0.00 0.02 0.00 0.00 54.97 54.30 3doy s GLU 52 Cb 0.00 -2.09 0.86 0.00 0.10 0.00 0.00 34.13 33.00 3doy s GLU 52 CO 0.00 0.19 1.79 0.22 0.02 0.00 0.00 175.26 177.48 3doy h ASP 53 N 6.62 0.66 -0.66 -0.19 3.58 -1.94 -1.35 116.42 123.14 3doy h ASP 53 Ca -0.24 0.09 0.19 0.00 0.42 0.00 0.00 57.03 57.49 3doy h ASP 53 Cb 1.22 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 3doy h ASP 53 CO 0.47 0.22 0.49 1.62 -2.88 0.00 0.00 179.24 179.16 3doy h VAL 54 N 0.64 0.62 0.00 2.25 3.04 -1.96 -0.27 116.25 120.58 3doy h VAL 54 Ca 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.25 3doy h VAL 54 Cb 1.05 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 3doy h VAL 54 CO -0.33 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.72 3doy n PHE 55 N -4.26 0.81 0.18 3.17 0.99 -0.51 -2.63 117.46 115.21 3doy n PHE 55 Ca 0.13 0.29 0.04 0.00 -0.00 0.00 0.00 57.45 57.91 3doy n PHE 55 Cb 0.75 -0.97 0.45 0.00 -1.00 0.00 0.00 39.48 38.70 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 0.10 -0.08 4.37 2.35 -1.20 -3.21 115.58 117.91 3doy h ASN 56 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3doy h ASN 56 Cb 0.46 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3doy h ASN 56 CO 0.00 0.27 0.00 0.61 -1.65 0.00 0.00 177.43 176.66 3doy n GLY 57 N -0.95 1.70 2.29 2.83 0.00 -1.11 -4.23 105.19 105.73 3doy n GLY 57 Ca -0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 -0.92 -4.30 1.61 -0.00 -1.08 -4.62 115.22 105.83 3doy n HIS 58 Ca 0.03 -3.23 -0.16 0.00 -0.00 0.00 0.00 57.72 54.37 3doy n HIS 58 Cb 0.24 0.01 -0.10 0.00 -0.00 0.00 0.00 29.99 30.13 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 -0.82 1.44 0.06 1.57 0.40 0.01 -1.33 117.98 119.32 3doy s PHE 59 Ca 0.34 -0.95 -0.34 0.00 -0.60 0.00 0.00 56.93 55.38 3doy s PHE 59 Cb 0.18 -0.83 -0.13 0.00 0.51 0.00 0.00 43.02 42.75 3doy s PHE 59 CO -0.14 -0.10 1.69 -2.30 0.70 0.00 0.00 175.22 175.08 3doy n PRO 60 N -0.36 2.15 -1.35 0.24 -0.02 -1.26 -0.90 135.00 133.49 3doy n PRO 60 Ca -0.05 0.78 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3doy n PRO 60 Cb 0.64 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 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 4.66 -4.99 -2.74 2.55 3.02 -1.26 -4.87 115.26 111.62 3doy n ASN 61 Ca 0.19 0.30 -0.06 0.00 -0.03 0.00 0.00 54.58 54.98 3doy n ASN 61 Cb 0.29 -3.56 0.04 0.00 -0.61 0.00 0.00 39.78 35.94 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 -1.94 0.60 -2.04 3.52 0.00 -0.08 -5.13 118.16 113.08 3doy n LYS 62 Ca -0.12 -1.68 -0.43 0.00 0.00 0.00 0.00 58.31 56.08 3doy n LYS 62 Cb 0.49 -1.26 -0.03 0.00 0.00 0.00 0.00 35.03 34.23 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 0.72 3.81 -0.05 1.64 0.04 -1.21 -0.81 135.00 139.14 3doy s PRO 63 Ca 0.30 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3doy s PRO 63 Cb 0.14 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.65 3doy s PRO 63 CO -0.16 -1.29 -0.03 0.42 0.04 0.00 0.00 177.00 175.98 3doy s ILE 64 N 5.26 0.45 -0.05 0.56 1.01 -0.44 -4.54 121.20 123.45 3doy s ILE 64 Ca 0.75 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3doy s ILE 64 Cb -0.27 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3doy s ILE 64 CO 0.30 0.22 1.41 0.12 0.00 0.00 0.00 174.94 176.99 3doy s PHE 65 N 1.17 2.69 0.05 3.97 5.36 0.20 -4.58 117.98 126.85 3doy s PHE 65 Ca -0.07 0.75 -0.36 0.00 -0.96 0.00 0.00 56.93 56.29 3doy s PHE 65 Cb -0.14 -3.67 -0.15 0.00 -0.34 0.00 0.00 43.02 38.73 3doy s PHE 65 CO -0.01 -2.50 1.53 -2.30 -1.46 0.00 0.00 175.22 170.47 3doy n PRO 66 N 6.00 1.62 -0.32 10.12 -0.02 -1.26 -4.59 135.00 146.56 3doy n PRO 66 Ca 0.14 0.59 0.03 0.00 -2.02 0.00 0.00 63.50 62.24 3doy n PRO 66 Cb 0.44 -2.30 0.18 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.37 2.00 -1.23 0.00 -1.99 -0.84 103.07 108.23 3doy h GLY 67 Ca -0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 3doy h GLY 67 CO 0.86 0.18 -0.12 -0.39 0.00 0.00 0.00 176.54 177.07 3doy h VAL 68 N 0.90 1.00 0.00 4.60 -1.51 -2.00 -0.99 116.25 118.25 3doy h VAL 68 Ca 0.41 -0.41 -0.13 0.00 -1.23 0.00 0.00 66.70 65.35 3doy h VAL 68 Cb 0.33 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 3doy h VAL 68 CO -0.23 0.11 -0.60 -0.07 -1.23 0.00 0.00 177.57 175.56 3doy h LEU 69 N 0.00 0.00 -0.58 4.19 3.38 -1.54 -1.62 115.31 119.14 3doy h LEU 69 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3doy h LEU 69 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3doy h LEU 69 CO 0.02 0.60 0.06 0.40 0.09 0.00 0.00 178.44 179.60 3doy h ILE 70 N 0.00 1.26 -0.40 1.22 2.04 -0.70 -0.73 117.51 120.20 3doy h ILE 70 Ca -0.01 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 3doy h ILE 70 Cb 1.27 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3doy h ILE 70 CO 0.08 0.38 -0.05 0.58 0.00 0.00 0.00 178.15 179.14 3doy h VAL 71 N 0.88 1.27 -0.81 1.67 2.07 -1.30 -2.10 116.25 117.93 3doy h VAL 71 Ca 0.17 -1.10 0.09 0.00 0.82 0.00 0.00 66.70 66.68 3doy h VAL 71 Cb 0.47 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3doy h VAL 71 CO 0.02 0.37 0.47 -0.08 0.02 0.00 0.00 177.57 178.37 3doy h GLU 72 N 0.55 0.78 -0.73 1.57 4.57 -1.07 0.13 114.58 120.39 3doy h GLU 72 Ca 0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3doy h GLU 72 Cb 0.55 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 3doy h GLU 72 CO 0.03 0.52 0.41 0.78 -1.18 0.00 0.00 179.01 179.57 3doy h GLY 73 N 0.80 1.08 1.07 1.92 0.00 -0.75 -0.44 103.07 106.75 3doy h GLY 73 Ca 0.38 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3doy h GLY 73 CO -0.23 0.46 0.21 -0.33 0.00 0.00 0.00 176.54 176.65 3doy h MET 74 N 1.00 1.16 -0.76 4.80 2.86 -0.52 -1.89 114.93 121.58 3doy h MET 74 Ca 0.26 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3doy h MET 74 Cb 0.01 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 3doy h MET 74 CO -0.04 0.99 0.47 0.00 1.06 0.00 0.00 176.91 179.39 3doy h ALA 75 N 1.12 0.96 -0.57 6.32 0.00 -0.09 -0.90 119.26 126.10 3doy h ALA 75 Ca 0.23 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3doy h ALA 75 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3doy h ALA 75 CO -0.00 0.41 0.05 1.96 0.00 0.00 0.00 179.25 181.66 3doy h GLN 76 N 1.03 0.94 -0.38 0.00 4.20 -0.69 0.13 115.11 120.34 3doy h GLN 76 Ca 0.27 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3doy h GLN 76 Cb -0.07 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3doy h GLN 76 CO -0.05 0.90 0.09 0.77 -0.67 0.00 0.00 178.83 179.87 3doy h SER 77 N 0.87 0.57 -0.34 1.46 0.02 -0.97 -0.64 113.55 114.53 3doy h SER 77 Ca 0.17 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3doy h SER 77 Cb 0.45 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3doy h SER 77 CO 0.02 0.65 0.18 1.23 -1.14 0.00 0.00 176.83 177.77 3doy h GLY 78 N 0.47 0.46 1.08 -3.77 0.00 -0.74 -1.19 103.07 99.38 3doy h GLY 78 Ca 0.12 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.36 3doy h GLY 78 CO 0.00 0.11 0.53 -1.33 0.00 0.00 0.00 176.54 175.84 3doy h GLY 79 N 0.37 1.12 1.36 4.60 0.00 -0.40 0.95 103.07 111.08 3doy h GLY 79 Ca 0.14 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3doy h GLY 79 CO -0.08 0.33 -0.18 -2.75 0.00 0.00 0.00 176.54 173.86 3doy h PHE 80 N 0.97 0.83 -0.00 5.60 3.57 -0.43 -1.66 116.94 125.82 3doy h PHE 80 Ca 0.32 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3doy h PHE 80 Cb 0.06 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 3doy h PHE 80 CO -0.00 0.87 -0.00 1.25 -2.23 0.00 0.00 178.31 178.19 3doy h LEU 81 N 0.66 0.01 -0.05 0.59 5.85 -0.22 -2.74 115.31 119.40 3doy h LEU 81 Ca 0.10 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3doy h LEU 81 Cb 0.66 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3doy h LEU 81 CO 0.05 0.38 -0.32 0.00 -0.34 0.00 0.00 178.44 178.21 3doy h ALA 82 N 0.63 -0.42 0.77 1.25 0.00 -0.75 -0.08 119.26 120.66 3doy h ALA 82 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3doy h ALA 82 Cb 0.37 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3doy h ALA 82 CO 0.00 -0.81 -0.39 0.35 0.00 0.00 0.00 179.25 178.39 3doy h PHE 83 N -0.44 -1.02 0.00 0.00 3.57 -1.36 -2.29 116.94 115.40 3doy h PHE 83 Ca 0.08 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3doy h PHE 83 Cb 0.55 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3doy h PHE 83 CO -0.37 -0.62 -0.01 1.79 -2.23 0.00 0.00 178.31 176.87 3doy h THR 84 N -1.07 0.13 -0.42 4.41 1.35 -1.46 0.15 112.91 116.01 3doy h THR 84 Ca -0.10 -0.07 -0.13 0.00 -0.55 0.00 0.00 66.41 65.55 3doy h THR 84 Cb 0.83 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 3doy h THR 84 CO 0.16 0.01 -0.26 0.28 -0.25 0.00 0.00 175.52 175.45 3doy h SER 85 N 0.00 0.96 0.54 5.36 0.02 -0.47 0.12 113.55 120.09 3doy h SER 85 Ca -0.00 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 3doy h SER 85 Cb 0.06 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3doy h SER 85 CO 0.00 1.18 -1.48 0.18 -1.14 0.00 0.00 176.83 175.57 3doy n LEU 86 N -4.14 0.48 0.00 5.07 4.32 -0.48 -4.62 117.00 117.63 3doy n LEU 86 Ca -0.01 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 3doy n LEU 86 Cb 0.48 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 3doy n LEU 86 CO 0.47 -0.07 0.04 0.79 -1.22 0.00 0.00 177.39 177.40 3doy n TRP 87 N -2.53 0.00 -4.45 -1.77 8.01 0.39 -5.11 117.44 111.99 3doy n TRP 87 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 3doy n TRP 87 Cb 0.60 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.90 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 0.21 -0.82 3.56 6.99 0.00 0.43 -4.14 105.19 111.42 3doy n GLY 88 Ca 0.00 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 2.54 -0.48 1.61 5.36 -1.26 -4.23 117.98 121.52 3doy s PHE 89 Ca 0.00 -0.89 0.03 0.00 -0.96 0.00 0.00 56.93 55.11 3doy s PHE 89 Cb 0.00 -4.70 0.13 0.00 -0.34 0.00 0.00 43.02 38.12 3doy s PHE 89 CO 0.00 -1.92 0.25 0.34 -1.46 0.00 0.00 175.22 172.43 3doy s ASP 90 N 4.96 3.97 0.43 6.13 -1.08 -1.26 -4.97 116.67 124.85 3doy s ASP 90 Ca 0.47 -2.84 0.10 0.00 -0.52 0.00 0.00 52.55 49.76 3doy s ASP 90 Cb 0.00 -1.32 0.95 0.00 -1.46 0.00 0.00 42.92 41.08 3doy s ASP 90 CO -0.08 -0.25 2.05 -0.65 0.52 0.00 0.00 175.17 176.76 3doy h PRO 91 N 6.58 0.33 -0.27 4.34 0.11 -1.90 0.02 132.00 141.21 3doy h PRO 91 Ca -0.04 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3doy h PRO 91 Cb 0.91 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3doy h PRO 91 CO 0.58 0.27 0.04 1.49 -0.21 0.00 0.00 178.00 180.17 3doy h GLU 92 N 0.34 0.46 0.00 1.05 4.81 -1.93 -2.59 114.58 116.72 3doy h GLU 92 Ca 0.09 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3doy h GLU 92 Cb 0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3doy h GLU 92 CO -0.01 0.58 -0.47 0.82 -0.73 0.00 0.00 179.01 179.20 3doy h ILE 93 N 0.27 0.87 -0.42 2.32 2.04 -1.91 -3.26 117.51 117.41 3doy h ILE 93 Ca 0.08 -2.04 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 3doy h ILE 93 Cb 0.35 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 3doy h ILE 93 CO 0.01 0.46 0.02 0.00 0.00 0.00 0.00 178.15 178.64 3doy h ALA 94 N 1.53 1.24 0.00 1.87 0.00 -0.77 -2.63 119.26 120.50 3doy h ALA 94 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3doy h ALA 94 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3doy h ALA 94 CO 0.06 0.51 0.00 0.36 0.00 0.00 0.00 179.25 180.18 3doy n LYS 95 N -4.25 0.68 -1.06 0.00 2.85 -0.99 -2.89 118.16 112.49 3doy n LYS 95 Ca 0.02 0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 3doy n LYS 95 Cb 0.26 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.37 3doy n LYS 95 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3doy n THR 96 N -1.10 2.97 -3.51 0.58 5.66 -0.99 -4.93 114.28 112.96 3doy n THR 96 Ca 0.17 -1.97 -0.11 0.00 -3.05 0.00 0.00 64.05 59.09 3doy n THR 96 Cb 0.13 -0.40 -0.03 0.00 -1.55 0.00 0.00 70.33 68.48 3doy n THR 96 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3doy s LYS 97 N -3.17 1.21 0.33 1.09 1.02 -1.14 -2.27 119.74 116.81 3doy s LYS 97 Ca 0.54 -0.58 0.07 0.00 0.02 0.00 0.00 55.97 56.02 3doy s LYS 97 Cb 0.45 0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 38.27 3doy s LYS 97 CO 0.10 -0.51 0.26 0.96 -0.92 0.00 0.00 175.35 175.24 3doy s ILE 98 N -3.78 0.04 0.01 2.17 -4.36 -0.44 -4.71 121.20 110.12 3doy s ILE 98 Ca 0.02 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 3doy s ILE 98 Cb -0.00 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 3doy s ILE 98 CO -0.12 0.00 -0.19 -0.69 0.24 0.00 0.00 174.94 174.18 3doy s VAL 99 N -3.46 1.50 -0.10 8.37 1.01 -1.26 -0.91 120.40 125.55 3doy s VAL 99 Ca 0.39 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3doy s VAL 99 Cb 0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3doy s VAL 99 CO 0.26 0.33 -0.20 -0.31 0.00 0.00 0.00 175.10 175.18 3doy s TYR 100 N -0.56 2.63 0.09 5.22 1.51 0.85 -4.94 117.35 122.15 3doy s TYR 100 Ca 0.07 -0.78 -0.30 0.00 -1.01 0.00 0.00 57.07 55.04 3doy s TYR 100 Cb -0.08 -1.73 -0.06 0.00 -0.11 0.00 0.00 41.96 39.99 3doy s TYR 100 CO 0.00 -0.26 1.19 0.12 -1.11 0.00 0.00 175.55 175.49 3doy s PHE 101 N 0.16 3.45 -0.17 2.71 2.19 -1.26 -1.14 117.98 123.92 3doy s PHE 101 Ca -0.11 1.34 -0.05 0.00 0.33 0.00 0.00 56.93 58.45 3doy s PHE 101 Cb -0.16 -3.41 -0.09 0.00 -1.31 0.00 0.00 43.02 38.05 3doy s PHE 101 CO 0.06 -1.21 -0.20 -1.33 1.83 0.00 0.00 175.22 174.38 3doy n MET 102 N 3.59 0.39 -3.68 10.12 2.81 0.40 -4.94 117.12 125.81 3doy n MET 102 Ca 0.08 0.14 -0.10 0.00 -1.81 0.00 0.00 57.70 56.00 3doy n MET 102 Cb 0.46 -1.21 -0.05 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.33 0.08 -0.01 2.03 -4.23 -1.10 -4.97 115.64 105.11 3doy s THR 103 Ca -0.24 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 3doy s THR 103 Cb 0.08 -1.18 0.01 0.00 1.34 0.00 0.00 72.50 72.75 3doy s THR 103 CO 0.34 -0.38 0.04 -0.63 -0.54 0.00 0.00 174.62 173.45 3doy s ILE 104 N -3.69 -0.01 0.11 2.99 1.01 -1.26 -1.65 121.20 118.70 3doy s ILE 104 Ca 0.03 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 3doy s ILE 104 Cb 0.02 -0.06 0.01 0.00 0.01 0.00 0.00 42.46 42.44 3doy s ILE 104 CO -0.11 0.01 0.29 -1.81 0.00 0.00 0.00 174.94 173.32 3doy s ASP 105 N 0.20 -0.04 -1.49 3.58 1.11 -0.23 -4.97 116.67 114.84 3doy s ASP 105 Ca -0.02 -0.51 -0.06 0.00 0.18 0.00 0.00 52.55 52.14 3doy s ASP 105 Cb -0.02 0.40 0.05 0.00 1.07 0.00 0.00 42.92 44.42 3doy s ASP 105 CO -0.01 -0.79 0.57 0.29 1.18 0.00 0.00 175.17 176.41 3doy n LYS 106 N -0.14 -3.52 -3.45 8.23 4.76 -1.26 -1.63 118.16 121.16 3doy n LYS 106 Ca -0.15 0.42 -0.37 0.00 -2.87 0.00 0.00 58.31 55.34 3doy n LYS 106 Cb 0.63 -4.77 -0.07 0.00 -1.84 0.00 0.00 35.03 28.98 3doy n LYS 106 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3doy s VAL 107 N -3.73 5.26 -0.06 -0.18 -7.23 -1.26 -3.86 120.40 109.34 3doy s VAL 107 Ca 0.24 0.69 0.05 0.00 -1.81 0.00 0.00 61.98 61.16 3doy s VAL 107 Cb -0.13 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.10 3doy s VAL 107 CO 0.89 0.35 -0.23 -0.54 -0.31 0.00 0.00 175.10 175.26 3doy s LYS 108 N 0.63 2.43 -0.38 4.82 3.01 -0.87 -4.96 119.74 124.43 3doy s LYS 108 Ca 0.20 -0.83 -0.06 0.00 -1.01 0.00 0.00 55.97 54.27 3doy s LYS 108 Cb -0.14 -2.03 0.08 0.00 -1.01 0.00 0.00 37.83 34.72 3doy s LYS 108 CO 0.06 0.32 0.17 -0.06 0.51 0.00 0.00 175.35 176.35 3doy s PHE 109 N -0.03 3.38 -0.17 3.18 2.99 -1.26 -1.48 117.98 124.58 3doy s PHE 109 Ca -0.06 -1.82 0.07 0.00 0.00 0.00 0.00 56.93 55.11 3doy s PHE 109 Cb -0.14 -2.76 -0.22 0.00 0.00 0.00 0.00 43.02 39.90 3doy s PHE 109 CO 0.04 -0.85 0.14 0.54 -0.00 0.00 0.00 175.22 175.09 3doy n ARG 110 N 4.75 0.68 -4.03 0.44 1.74 -0.43 -4.97 116.66 114.85 3doy n ARG 110 Ca -0.09 0.15 -0.17 0.00 -0.77 0.00 0.00 57.85 56.97 3doy n ARG 110 Cb 0.43 -1.61 -0.16 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.53 0.29 0.34 0.55 1.01 -0.99 -5.01 121.20 114.86 3doy s ILE 111 Ca -0.20 -0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 3doy s ILE 111 Cb 0.07 -0.34 -0.10 0.00 0.01 0.00 0.00 42.46 42.11 3doy s ILE 111 CO 0.74 0.15 1.30 -2.16 0.00 0.00 0.00 174.94 174.97 3doy s PRO 112 N 0.70 4.30 -0.16 2.79 0.04 -1.26 -4.79 135.00 136.62 3doy s PRO 112 Ca -0.08 2.19 -0.07 0.00 0.04 0.00 0.00 61.00 63.09 3doy s PRO 112 Cb -0.11 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 3doy s PRO 112 CO -0.01 -0.23 0.07 0.08 0.04 0.00 0.00 177.00 176.95 3doy s VAL 113 N -1.16 4.86 0.21 -0.36 1.01 -1.26 -5.03 120.40 118.66 3doy s VAL 113 Ca 0.50 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3doy s VAL 113 Cb -0.39 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3doy s VAL 113 CO 0.52 0.50 0.05 0.42 0.00 0.00 0.00 175.10 176.59 3doy s THR 114 N 0.01 0.62 0.22 3.92 -4.23 -1.26 -0.63 115.64 114.29 3doy s THR 114 Ca 0.06 -1.99 -0.31 0.00 -1.18 0.00 0.00 61.69 58.27 3doy s THR 114 Cb -0.12 -2.36 -0.15 0.00 1.34 0.00 0.00 72.50 71.21 3doy s THR 114 CO 0.01 -0.25 1.19 -2.65 -0.54 0.00 0.00 174.62 172.37 3doy n PRO 115 N -0.34 1.44 0.00 3.99 -0.02 -1.26 -1.48 135.00 137.32 3doy n PRO 115 Ca -0.03 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3doy n PRO 115 Cb 0.65 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 1.83 0.51 3.80 -1.23 0.00 0.55 -4.93 105.19 105.72 3doy n GLY 116 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 7.16 -0.57 1.61 1.01 -0.55 -4.92 116.67 118.50 3doy s ASP 117 Ca 0.00 1.45 -0.13 0.00 0.71 0.00 0.00 52.55 54.58 3doy s ASP 117 Cb 0.00 -2.43 0.14 0.00 1.01 0.00 0.00 42.92 41.65 3doy s ASP 117 CO 0.00 0.15 0.49 -0.60 0.21 0.00 0.00 175.17 175.42 3doy s ARG 118 N -1.52 2.91 -0.53 8.23 3.52 -1.26 -0.79 118.95 129.50 3doy s ARG 118 Ca 0.37 -1.90 -0.28 0.00 -0.13 0.00 0.00 55.73 53.79 3doy s ARG 118 Cb -0.19 -4.17 0.02 0.00 -1.56 0.00 0.00 34.95 29.04 3doy s ARG 118 CO 0.22 -1.27 1.32 -1.17 -0.81 0.00 0.00 175.30 173.59 3doy s LEU 119 N 1.19 3.47 -0.18 -0.88 2.96 -0.72 -4.39 118.68 120.13 3doy s LEU 119 Ca 0.07 0.34 -0.14 0.00 -0.22 0.00 0.00 54.13 54.18 3doy s LEU 119 Cb -0.25 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 3doy s LEU 119 CO -0.01 -1.55 0.31 -0.70 -1.32 0.00 0.00 176.35 173.09 3doy s GLU 120 N 5.14 4.21 -0.25 1.98 2.12 0.15 -0.88 118.70 131.16 3doy s GLU 120 Ca 0.50 0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.82 3doy s GLU 120 Cb -0.10 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 3doy s GLU 120 CO 0.27 0.12 0.17 0.71 -0.54 0.00 0.00 175.26 175.99 3doy s TYR 121 N 0.82 3.27 -0.27 5.30 4.12 0.12 0.12 117.35 130.84 3doy s TYR 121 Ca 0.16 0.17 0.02 0.00 0.02 0.00 0.00 57.07 57.44 3doy s TYR 121 Cb -0.14 -2.30 0.06 0.00 -1.52 0.00 0.00 41.96 38.06 3doy s TYR 121 CO 0.05 -0.02 -0.08 -1.01 0.02 0.00 0.00 175.55 174.51 3doy s HIS 122 N 1.31 3.27 0.01 2.71 3.76 0.25 -1.36 115.29 125.24 3doy s HIS 122 Ca 0.07 -2.19 0.04 0.00 -0.15 0.00 0.00 55.06 52.84 3doy s HIS 122 Cb -0.14 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3doy s HIS 122 CO 0.07 -0.86 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.46 3doy s LEU 123 N 1.15 2.10 0.09 0.89 1.43 -0.56 -1.26 118.68 122.52 3doy s LEU 123 Ca -0.08 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3doy s LEU 123 Cb -0.20 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3doy s LEU 123 CO -0.04 0.09 -0.17 -1.83 0.23 0.00 0.00 176.35 174.64 3doy s GLU 124 N -0.73 0.95 -0.22 1.70 -1.05 -0.83 -0.47 118.70 118.05 3doy s GLU 124 Ca 0.03 -1.05 -0.28 0.00 -0.15 0.00 0.00 54.97 53.52 3doy s GLU 124 Cb -0.06 -1.07 0.01 0.00 -0.44 0.00 0.00 34.13 32.57 3doy s GLU 124 CO 0.00 0.24 0.99 0.08 0.95 0.00 0.00 175.26 177.53 3doy s VAL 125 N -1.24 4.72 -0.17 1.83 1.01 0.17 -2.18 120.40 124.54 3doy s VAL 125 Ca 0.02 1.94 -0.22 0.00 0.00 0.00 0.00 61.98 63.71 3doy s VAL 125 Cb -0.10 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 3doy s VAL 125 CO 0.03 -0.14 0.44 -0.07 0.00 0.00 0.00 175.10 175.35 3doy h LEU 126 N 9.27 0.07 -7.47 3.92 3.38 -0.87 -3.48 115.31 120.15 3doy h LEU 126 Ca -0.21 -0.72 -0.09 0.00 0.09 0.00 0.00 57.88 56.96 3doy h LEU 126 Cb 1.07 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 3doy h LEU 126 CO 0.95 1.38 -0.18 -0.75 0.09 0.00 0.00 178.44 179.93 3doy s LYS 127 N -2.35 0.86 -0.28 1.13 2.20 -0.96 -5.02 119.74 115.32 3doy s LYS 127 Ca -0.24 -0.42 -0.24 0.00 -0.36 0.00 0.00 55.97 54.71 3doy s LYS 127 Cb 0.03 0.38 0.10 0.00 -1.51 0.00 0.00 37.83 36.83 3doy s LYS 127 CO 0.65 -0.28 0.91 -3.38 -0.36 0.00 0.00 175.35 172.89 3doy s HIS 128 N -2.44 -0.61 -0.30 4.03 -3.43 -1.26 -0.19 115.29 111.09 3doy s HIS 128 Ca -0.06 1.47 -0.10 0.00 -0.80 0.00 0.00 55.06 55.58 3doy s HIS 128 Cb -0.01 0.34 0.15 0.00 -1.43 0.00 0.00 32.58 31.63 3doy s HIS 128 CO -0.02 -0.30 0.75 -1.59 -2.00 0.00 0.00 174.74 171.58 3doy s LYS 129 N 0.38 0.48 6.34 -0.38 -2.85 -0.64 -5.03 119.74 118.04 3doy s LYS 129 Ca 0.01 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.09 3doy s LYS 129 Cb -0.05 0.66 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 3doy s LYS 129 CO -0.04 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 175.55 3doy n GLY 130 N 5.33 1.54 0.51 0.59 0.00 -1.26 -2.31 105.19 109.59 3doy n GLY 130 Ca -0.09 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 12.78 1.68 -3.27 1.61 2.81 -1.26 -4.83 117.12 126.65 3doy n MET 131 Ca 0.00 -1.03 -0.43 0.00 -1.81 0.00 0.00 57.70 54.43 3doy n MET 131 Cb 0.00 -1.48 -0.08 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 -2.03 5.02 -0.08 2.02 1.01 -0.98 -1.35 121.20 124.82 3doy s ILE 132 Ca 0.36 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.80 3doy s ILE 132 Cb 0.21 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3doy s ILE 132 CO 0.34 -0.47 -0.19 0.26 0.00 0.00 0.00 174.94 174.88 3doy s TRP 133 N 2.30 2.63 -0.24 3.97 0.52 -0.02 -1.62 118.94 126.48 3doy s TRP 133 Ca 0.15 -0.57 -0.00 0.00 0.02 0.00 0.00 56.10 55.70 3doy s TRP 133 Cb -0.16 -1.68 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3doy s TRP 133 CO 0.15 -0.12 -0.10 -1.14 0.02 0.00 0.00 176.95 175.76 3doy s GLN 134 N -0.14 2.72 0.25 4.98 0.74 0.73 -0.52 119.66 128.42 3doy s GLN 134 Ca -0.03 -1.04 0.11 0.00 0.05 0.00 0.00 55.36 54.45 3doy s GLN 134 Cb -0.14 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 31.04 3doy s GLN 134 CO 0.04 -0.41 -0.20 0.14 -0.55 0.00 0.00 175.29 174.32 3doy s VAL 135 N 1.26 2.31 0.01 1.34 -7.23 -0.06 -0.13 120.40 117.90 3doy s VAL 135 Ca -0.01 -2.30 -0.18 0.00 -1.81 0.00 0.00 61.98 57.68 3doy s VAL 135 Cb -0.17 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.59 3doy s VAL 135 CO -0.06 -0.39 0.38 -0.83 -0.31 0.00 0.00 175.10 173.89 3doy s GLY 136 N -3.33 -0.24 0.00 2.32 0.00 -0.93 -0.47 107.32 104.68 3doy s GLY 136 Ca 0.27 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3doy s GLY 136 CO 0.13 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.99 3doy n GLY 137 N 0.90 -0.66 3.28 0.20 0.00 -0.19 -1.96 105.19 106.76 3doy n GLY 137 Ca -0.20 -0.50 -0.16 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 0.27 -0.10 2.61 -4.23 -0.39 -1.80 115.64 108.00 3doy s THR 138 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3doy s THR 138 Cb 0.00 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.31 3doy s THR 138 CO 0.00 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 173.91 3doy s ALA 139 N -3.82 1.76 0.12 3.99 0.00 -0.59 -0.58 121.76 122.64 3doy s ALA 139 Ca 0.38 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.68 3doy s ALA 139 Cb 0.06 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3doy s ALA 139 CO 0.15 0.05 -0.23 -0.65 0.00 0.00 0.00 175.76 175.08 3doy s GLN 140 N 0.76 1.24 -0.12 0.00 -0.21 0.32 -1.37 119.66 120.28 3doy s GLN 140 Ca -0.11 -1.26 -0.02 0.00 0.02 0.00 0.00 55.36 54.00 3doy s GLN 140 Cb -0.16 -1.58 0.04 0.00 1.00 0.00 0.00 33.01 32.31 3doy s GLN 140 CO 0.02 0.36 -0.00 0.08 -2.12 0.00 0.00 175.29 173.63 3doy s VAL 141 N -1.21 0.58 -1.31 1.09 1.01 -0.82 0.29 120.40 120.02 3doy s VAL 141 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 3doy s VAL 141 Cb -0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 3doy s VAL 141 CO 0.05 0.13 0.61 -0.67 0.00 0.00 0.00 175.10 175.22 3doy n ASP 142 N 5.07 -1.56 0.00 3.32 4.64 -1.26 -1.87 116.55 124.89 3doy n ASP 142 Ca -0.09 -0.92 0.00 0.00 -1.38 0.00 0.00 54.79 52.40 3doy n ASP 142 Cb 0.49 -3.59 0.00 0.00 -1.04 0.00 0.00 41.12 36.97 3doy n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3doy n GLY 143 N -1.74 0.26 3.59 0.27 0.00 -1.26 -4.99 105.19 101.32 3doy n GLY 143 Ca -0.27 0.00 -0.34 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 -0.89 3.18 -0.13 1.61 1.02 -0.78 -5.07 119.74 118.68 3doy s LYS 144 Ca 0.00 -0.48 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 3doy s LYS 144 Cb 0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 3doy s LYS 144 CO 0.00 0.53 1.53 0.08 -0.92 0.00 0.00 175.35 176.57 3doy s VAL 145 N -0.41 3.81 -0.73 3.17 1.01 -1.26 -1.95 120.40 124.03 3doy s VAL 145 Ca 0.07 0.96 0.18 0.00 0.00 0.00 0.00 61.98 63.19 3doy s VAL 145 Cb -0.12 -3.68 -0.21 0.00 0.00 0.00 0.00 36.38 32.36 3doy s VAL 145 CO 0.02 -0.15 0.72 1.33 0.00 0.00 0.00 175.10 177.02 3doy n VAL 146 N 5.72 0.00 -3.56 2.92 0.24 -0.47 -4.50 118.33 118.68 3doy n VAL 146 Ca 0.17 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.34 62.28 3doy n VAL 146 Cb 0.44 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 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 -2.82 -1.97 0.08 2.33 0.00 -1.19 -1.31 121.76 116.87 3doy s ALA 147 Ca 0.05 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3doy s ALA 147 Cb 0.14 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3doy s ALA 147 CO 0.76 -0.61 -0.05 -1.21 0.00 0.00 0.00 175.76 174.64 3doy s GLU 148 N -2.62 0.73 -0.19 0.00 2.02 -0.55 -1.55 118.70 116.54 3doy s GLU 148 Ca 0.07 -1.25 -0.35 0.00 0.02 0.00 0.00 54.97 53.45 3doy s GLU 148 Cb -0.01 -0.04 0.14 0.00 0.10 0.00 0.00 34.13 34.32 3doy s GLU 148 CO -0.06 -0.05 1.25 0.00 0.02 0.00 0.00 175.26 176.42 3doy s ALA 149 N -3.61 -2.12 0.00 5.21 0.00 -0.75 -2.06 121.76 118.44 3doy s ALA 149 Ca 0.09 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.64 3doy s ALA 149 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3doy s ALA 149 CO -0.06 -0.63 -0.08 -1.21 0.00 0.00 0.00 175.76 173.77 3doy s GLU 150 N -2.35 0.63 0.07 0.00 2.02 -0.64 -1.02 118.70 117.41 3doy s GLU 150 Ca 0.10 -0.36 -0.19 0.00 0.02 0.00 0.00 54.97 54.55 3doy s GLU 150 Cb -0.00 -0.60 0.04 0.00 0.10 0.00 0.00 34.13 33.67 3doy s GLU 150 CO -0.04 0.16 0.45 -0.48 0.02 0.00 0.00 175.26 175.37 3doy s LEU 151 N -0.39 0.22 -0.09 1.80 0.05 0.38 -1.06 118.68 119.58 3doy s LEU 151 Ca 0.02 -0.02 0.03 0.00 0.05 0.00 0.00 54.13 54.20 3doy s LEU 151 Cb -0.04 1.92 0.01 0.00 -2.05 0.00 0.00 46.19 46.02 3doy s LEU 151 CO -0.00 -0.74 -0.20 -0.75 -0.55 0.00 0.00 176.35 174.11 3doy s LYS 152 N -2.84 2.59 0.21 1.48 2.20 -0.66 -0.88 119.74 121.84 3doy s LYS 152 Ca -0.03 -0.72 0.07 0.00 -0.36 0.00 0.00 55.97 54.93 3doy s LYS 152 Cb -0.00 -2.02 -0.05 0.00 -1.51 0.00 0.00 37.83 34.25 3doy s LYS 152 CO -0.05 0.10 -0.12 0.00 -0.36 0.00 0.00 175.35 174.92 3doy s ALA 153 N 0.53 1.98 -0.03 3.13 0.00 0.32 -0.45 121.76 127.23 3doy s ALA 153 Ca -0.16 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.16 3doy s ALA 153 Cb -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3doy s ALA 153 CO 0.06 0.01 -0.11 1.41 0.00 0.00 0.00 175.76 177.13 3doy s MET 154 N -3.68 1.15 -0.20 0.00 1.75 -0.29 -0.84 119.30 117.18 3doy s MET 154 Ca 0.23 -0.38 -0.15 0.00 -1.25 0.00 0.00 55.69 54.13 3doy s MET 154 Cb 0.01 -1.05 -0.04 0.00 2.84 0.00 0.00 34.83 36.59 3doy s MET 154 CO 0.07 0.15 0.38 0.42 -0.65 0.00 0.00 175.02 175.39 3doy s ILE 155 N 0.12 5.21 0.09 10.11 1.01 -0.45 -0.10 121.20 137.18 3doy s ILE 155 Ca -0.03 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.35 3doy s ILE 155 Cb -0.09 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3doy s ILE 155 CO 0.01 0.26 -0.17 0.00 0.00 0.00 0.00 174.94 175.04 3doy s ALA 156 N 1.29 1.45 0.17 9.38 0.00 -0.08 -4.78 121.76 129.19 3doy s ALA 156 Ca 0.18 -1.11 -0.32 0.00 0.00 0.00 0.00 51.96 50.71 3doy s ALA 156 Cb -0.15 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.70 3doy s ALA 156 CO 0.08 0.25 1.75 -1.21 0.00 0.00 0.00 175.76 176.62 3doy s GLU 157 N -1.84 4.14 0.52 0.00 0.41 -1.26 -1.33 118.70 119.34 3doy s GLU 157 Ca 0.02 2.57 0.23 0.00 -0.41 0.00 0.00 54.97 57.38 3doy s GLU 157 Cb -0.10 -3.29 1.34 0.00 -1.78 0.00 0.00 34.13 30.30 3doy s GLU 157 CO 0.03 -0.77 2.02 0.00 -0.49 0.00 0.00 175.26 176.05 3doy h ARG 158 N 7.52 0.03 0.00 1.61 3.08 -1.77 -3.46 114.38 121.40 3doy h ARG 158 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3doy h ARG 158 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3doy h ARG 158 CO 0.95 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 180.26