#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yth s GLN 2 N 0.00 1.61 -0.18 0.54 0.74 -1.26 -5.10 119.66 116.01 1yth s GLN 2 Ca 0.00 -0.31 -0.03 0.00 0.05 0.00 0.00 55.36 55.08 1yth s GLN 2 Cb 0.00 -1.59 -0.01 0.00 1.10 0.00 0.00 33.01 32.51 1yth s GLN 2 CO 0.00 -0.21 -0.07 0.42 -0.55 0.00 0.00 175.29 174.88 1yth s ILE 3 N 1.49 3.41 0.56 -2.34 1.01 -1.26 -5.10 121.20 118.97 1yth s ILE 3 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1yth s ILE 3 Cb -0.13 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1yth s ILE 3 CO -0.06 0.47 0.85 0.42 0.00 0.00 0.00 174.94 176.62 1yth s THR 4 N 0.87 3.74 -0.28 2.92 -4.23 -1.26 -5.01 115.64 112.38 1yth s THR 4 Ca -0.02 -0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.50 1yth s THR 4 Cb -0.15 -3.46 0.51 0.00 1.34 0.00 0.00 72.50 70.74 1yth s THR 4 CO 0.01 -0.45 1.47 0.18 -0.54 0.00 0.00 174.62 175.29 1yth n LEU 5 N -2.48 4.16 0.09 4.79 4.77 -1.26 -4.49 117.00 122.57 1yth n LEU 5 Ca 0.04 -3.70 0.00 0.00 -0.03 0.00 0.00 56.01 52.32 1yth n LEU 5 Cb 0.58 -0.63 0.31 0.00 -2.33 0.00 0.00 43.42 41.34 1yth n LEU 5 CO 0.52 1.20 0.80 -0.50 -1.33 0.00 0.00 177.39 178.07 1yth h TRP 6 N 1.07 0.32 -1.48 -1.77 4.06 -2.06 -3.43 115.95 112.66 1yth h TRP 6 Ca 0.21 -0.05 -0.62 0.00 2.06 0.00 0.00 58.89 60.49 1yth h TRP 6 Cb 1.67 -0.08 -0.13 0.00 -1.00 0.00 0.00 29.16 29.61 1yth h TRP 6 CO 0.99 0.50 -0.57 0.15 -3.56 0.00 0.00 178.44 175.95 1yth s LYS 7 N -4.54 1.99 0.22 0.49 1.02 -1.26 -5.09 119.74 112.57 1yth s LYS 7 Ca -0.06 -2.18 -0.32 0.00 0.02 0.00 0.00 55.97 53.44 1yth s LYS 7 Cb 0.15 -1.44 -0.12 0.00 -0.52 0.00 0.00 37.83 35.89 1yth s LYS 7 CO 0.75 -0.19 1.70 0.54 -0.92 0.00 0.00 175.35 177.24 1yth n ARG 8 N -1.02 2.77 -2.13 1.68 1.74 -1.26 -4.88 116.66 113.56 1yth n ARG 8 Ca -0.09 1.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.62 1yth n ARG 8 Cb 0.67 -2.83 -0.03 0.00 -1.02 0.00 0.00 32.46 29.24 1yth n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1yth n PRO 9 N 3.65 2.29 -3.16 5.56 -0.04 -1.26 -4.94 135.00 137.10 1yth n PRO 9 Ca 0.15 -2.72 -0.39 0.00 -0.04 0.00 0.00 63.50 60.50 1yth n PRO 9 Cb 0.35 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.23 1yth n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yth s LEU 10 N 6.74 4.43 0.05 1.53 1.43 -1.26 -1.43 118.68 130.17 1yth s LEU 10 Ca 0.60 1.24 -0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1yth s LEU 10 Cb 0.04 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 1yth s LEU 10 CO 0.10 0.09 -0.04 0.54 0.23 0.00 0.00 176.35 177.27 1yth s VAL 11 N -0.22 0.26 0.07 -1.59 0.11 0.11 -4.91 120.40 114.23 1yth s VAL 11 Ca 0.33 -1.52 -0.26 0.00 -2.93 0.00 0.00 61.98 57.60 1yth s VAL 11 Cb -0.19 -1.12 -0.06 0.00 -1.53 0.00 0.00 36.38 33.49 1yth s VAL 11 CO 0.19 -0.80 0.79 -0.89 -3.33 0.00 0.00 175.10 171.06 1yth s THR 12 N -3.01 4.66 0.17 5.04 2.01 -1.26 -0.53 115.64 122.71 1yth s THR 12 Ca -0.00 1.70 0.08 0.00 0.31 0.00 0.00 61.69 63.77 1yth s THR 12 Cb 0.01 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1yth s THR 12 CO -0.06 0.38 -0.16 0.27 -0.69 0.00 0.00 174.62 174.35 1yth s ILE 13 N -0.18 1.68 -0.12 1.82 -4.36 0.12 -2.34 121.20 117.82 1yth s ILE 13 Ca 0.39 -1.96 0.03 0.00 -0.26 0.00 0.00 60.65 58.85 1yth s ILE 13 Cb -0.21 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.67 1yth s ILE 13 CO 0.24 -0.42 -0.21 -0.13 0.24 0.00 0.00 174.94 174.66 1yth s ARG 14 N -3.02 2.85 -0.05 0.37 3.00 -0.14 -0.45 118.95 121.51 1yth s ARG 14 Ca 0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 55.73 55.07 1yth s ARG 14 Cb -0.04 -2.26 0.03 0.00 0.00 0.00 0.00 34.95 32.69 1yth s ARG 14 CO 0.06 0.05 0.12 -1.50 0.00 0.00 0.00 175.30 174.02 1yth s ILE 15 N 0.67 -0.05 -1.38 1.52 2.07 -0.03 -1.63 121.20 122.36 1yth s ILE 15 Ca -0.12 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1yth s ILE 15 Cb -0.16 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.23 1yth s ILE 15 CO 0.02 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 1yth n GLY 16 N 4.10 -0.23 1.36 1.50 0.00 -1.26 -0.94 105.19 109.72 1yth n GLY 16 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1yth n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yth n GLY 17 N -0.80 1.28 3.89 -0.02 0.00 -1.26 -5.06 105.19 103.21 1yth n GLY 17 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1yth n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yth s GLN 18 N -0.55 3.42 -0.14 1.61 -2.07 -0.11 -5.10 119.66 116.72 1yth s GLN 18 Ca 0.00 -0.27 -0.15 0.00 -1.82 0.00 0.00 55.36 53.12 1yth s GLN 18 Cb 0.00 -3.11 -0.05 0.00 -1.09 0.00 0.00 33.01 28.76 1yth s GLN 18 CO 0.00 0.71 0.36 -0.51 -1.32 0.00 0.00 175.29 174.53 1yth s LEU 19 N -1.63 4.27 0.08 2.60 1.43 -1.26 -0.85 118.68 123.31 1yth s LEU 19 Ca 0.23 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1yth s LEU 19 Cb -0.12 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1yth s LEU 19 CO 0.14 0.08 -0.07 -0.54 0.23 0.00 0.00 176.35 176.19 1yth s LYS 20 N 0.44 0.71 -0.10 1.70 1.02 0.41 -4.95 119.74 118.96 1yth s LYS 20 Ca 0.20 -1.11 -0.15 0.00 0.02 0.00 0.00 55.97 54.93 1yth s LYS 20 Cb -0.14 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 36.89 1yth s LYS 20 CO 0.06 0.01 0.37 -1.83 -0.92 0.00 0.00 175.35 173.04 1yth s GLU 21 N -2.97 4.14 0.01 1.68 4.04 -1.26 0.13 118.70 124.46 1yth s GLU 21 Ca 0.03 0.28 -0.02 0.00 0.04 0.00 0.00 54.97 55.30 1yth s GLU 21 Cb -0.01 -3.36 -0.01 0.00 0.02 0.00 0.00 34.13 30.78 1yth s GLU 21 CO -0.03 0.37 0.02 0.00 -1.84 0.00 0.00 175.26 173.79 1yth s ALA 22 N -0.01 -0.02 -0.13 -0.84 0.00 0.31 -4.37 121.76 116.70 1yth s ALA 22 Ca 0.21 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.58 1yth s ALA 22 Cb -0.15 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1yth s ALA 22 CO 0.08 -0.15 0.69 -1.17 0.00 0.00 0.00 175.76 175.21 1yth s LEU 23 N -1.20 4.23 -0.32 0.00 2.96 0.15 -0.72 118.68 123.79 1yth s LEU 23 Ca -0.13 1.04 -0.29 0.00 -0.22 0.00 0.00 54.13 54.53 1yth s LEU 23 Cb -0.08 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.61 1yth s LEU 23 CO -0.00 -0.21 1.06 -0.76 -1.32 0.00 0.00 176.35 175.11 1yth s LEU 24 N 1.41 3.94 -0.29 -0.68 1.43 -0.51 -0.54 118.68 123.43 1yth s LEU 24 Ca 0.34 1.03 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1yth s LEU 24 Cb -0.17 -3.52 0.08 0.00 0.03 0.00 0.00 46.19 42.62 1yth s LEU 24 CO 0.14 -0.87 0.01 -0.62 0.23 0.00 0.00 176.35 175.24 1yth s ASP 25 N 1.65 4.31 0.19 2.29 -1.08 0.02 -4.76 116.67 119.29 1yth s ASP 25 Ca 0.45 -1.67 0.23 0.00 -0.52 0.00 0.00 52.55 51.05 1yth s ASP 25 Cb -0.12 -1.34 0.91 0.00 -1.46 0.00 0.00 42.92 40.90 1yth s ASP 25 CO 0.15 -0.32 1.71 0.35 0.52 0.00 0.00 175.17 177.59 1yth n THR 26 N 4.51 0.72 0.11 1.71 -2.24 -1.26 -2.07 114.28 115.76 1yth n THR 26 Ca -0.04 0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1yth n THR 26 Cb 0.43 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.69 1yth n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1yth h GLY 27 N 3.13 0.00 -5.06 3.38 0.00 -1.93 -3.46 103.07 99.14 1yth h GLY 27 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1yth h GLY 27 CO 0.00 0.00 0.44 0.00 0.00 0.00 0.00 176.54 176.98 1yth s ALA 28 N -2.86 3.45 0.24 3.60 0.00 -0.88 -4.95 121.76 120.37 1yth s ALA 28 Ca 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 1yth s ALA 28 Cb 0.09 -3.30 0.27 0.00 0.00 0.00 0.00 23.12 20.18 1yth s ALA 28 CO 0.78 -0.58 1.67 -0.44 0.00 0.00 0.00 175.76 177.18 1yth h ASP 29 N 7.18 0.67 -3.73 0.00 3.32 -1.87 0.23 116.42 122.22 1yth h ASP 29 Ca -0.31 -0.23 -0.44 0.00 0.02 0.00 0.00 57.03 56.07 1yth h ASP 29 Cb 1.14 -0.18 -0.17 0.00 0.22 0.00 0.00 39.33 40.34 1yth h ASP 29 CO 0.84 0.89 -0.75 -0.62 -1.72 0.00 0.00 179.24 177.87 1yth s ASP 30 N -6.77 2.27 0.11 6.45 2.15 -1.26 -1.61 116.67 118.01 1yth s ASP 30 Ca -0.08 -0.89 -0.24 0.00 0.43 0.00 0.00 52.55 51.77 1yth s ASP 30 Cb 0.13 -0.10 -0.07 0.00 -0.30 0.00 0.00 42.92 42.58 1yth s ASP 30 CO 0.82 -0.14 0.72 -0.89 -0.17 0.00 0.00 175.17 175.50 1yth s THR 31 N -2.43 4.57 -0.04 1.71 2.01 -1.26 -3.99 115.64 116.21 1yth s THR 31 Ca 0.14 1.55 -0.02 0.00 0.31 0.00 0.00 61.69 63.68 1yth s THR 31 Cb -0.03 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.44 1yth s THR 31 CO 0.04 0.49 0.04 0.54 -0.69 0.00 0.00 174.62 175.04 1yth s VAL 32 N -0.82 -0.01 0.15 3.82 0.11 -0.34 -0.81 120.40 122.51 1yth s VAL 32 Ca 0.35 0.34 0.07 0.00 -2.93 0.00 0.00 61.98 59.80 1yth s VAL 32 Cb -0.21 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1yth s VAL 32 CO 0.23 0.18 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.39 1yth s LEU 33 N 1.95 3.25 0.78 2.54 1.43 0.12 -0.28 118.68 128.48 1yth s LEU 33 Ca 0.03 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 1yth s LEU 33 Cb -0.12 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.22 1yth s LEU 33 CO -0.03 0.12 1.17 -0.70 0.23 0.00 0.00 176.35 177.14 1yth s GLU 34 N -2.67 1.86 -0.34 1.70 -6.30 -1.26 -2.01 118.70 109.68 1yth s GLU 34 Ca 0.26 1.61 -0.44 0.00 -2.50 0.00 0.00 54.97 53.90 1yth s GLU 34 Cb -0.10 -1.82 -0.19 0.00 0.00 0.00 0.00 34.13 32.02 1yth s GLU 34 CO 0.17 -2.01 1.54 0.39 0.02 0.00 0.00 175.26 175.37 1yth n GLU 35 N -3.24 0.32 -3.63 4.30 -0.58 -1.07 -4.56 120.64 112.18 1yth n GLU 35 Ca 0.12 0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.83 1yth n GLU 35 Cb 0.51 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.65 1yth n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yth s MET 36 N 2.53 0.91 -1.06 3.49 0.23 -1.26 -5.03 119.30 119.11 1yth s MET 36 Ca 1.00 -0.11 -0.05 0.00 -1.03 0.00 0.00 55.69 55.51 1yth s MET 36 Cb -1.34 0.42 0.29 0.00 -1.53 0.00 0.00 34.83 32.67 1yth s MET 36 CO 0.73 -0.29 1.31 -1.71 -2.03 0.00 0.00 175.02 173.02 1yth n ASN 37 N 0.83 5.92 -4.76 -1.18 5.15 -1.26 -5.00 115.26 114.95 1yth n ASN 37 Ca -0.20 -3.30 -0.39 0.00 -0.60 0.00 0.00 54.58 50.10 1yth n ASN 37 Cb 0.58 -1.26 -0.06 0.00 -0.53 0.00 0.00 39.78 38.52 1yth n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1yth s LEU 38 N -2.29 4.52 0.46 1.20 1.43 -1.26 -5.05 118.68 117.69 1yth s LEU 38 Ca 0.31 2.00 -0.22 0.00 -1.03 0.00 0.00 54.13 55.20 1yth s LEU 38 Cb 0.01 -3.75 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 1yth s LEU 38 CO 0.04 -0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.55 1yth s PRO 39 N -1.54 3.80 0.00 1.29 0.04 -1.26 -4.97 135.00 132.36 1yth s PRO 39 Ca 0.45 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1yth s PRO 39 Cb -0.25 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1yth s PRO 39 CO 0.32 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1yth n GLY 40 N 0.22 3.07 3.79 0.56 0.00 -1.26 -5.06 105.19 106.51 1yth n GLY 40 Ca 0.08 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1yth n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yth s LYS 41 N -1.94 4.45 0.17 1.61 3.01 -1.26 -5.08 119.74 120.69 1yth s LYS 41 Ca 0.00 1.11 0.03 0.00 -1.01 0.00 0.00 55.97 56.09 1yth s LYS 41 Cb 0.00 -2.94 -0.05 0.00 -1.01 0.00 0.00 37.83 33.83 1yth s LYS 41 CO 0.00 0.39 -0.04 1.67 0.51 0.00 0.00 175.35 177.89 1yth s TRP 42 N -1.47 1.25 0.03 3.18 1.48 -1.26 -4.58 118.94 117.57 1yth s TRP 42 Ca 0.44 -0.92 0.06 0.00 -1.06 0.00 0.00 56.10 54.63 1yth s TRP 42 Cb -0.19 -0.70 -0.02 0.00 -1.16 0.00 0.00 33.47 31.40 1yth s TRP 42 CO 0.23 -0.09 -0.19 0.15 -4.06 0.00 0.00 176.95 172.99 1yth s LYS 43 N -3.85 1.30 0.20 3.25 -0.14 -0.78 -4.89 119.74 114.84 1yth s LYS 43 Ca 0.21 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 53.67 1yth s LYS 43 Cb 0.05 -1.37 -0.08 0.00 -1.68 0.00 0.00 37.83 34.75 1yth s LYS 43 CO 0.03 0.35 1.18 -2.14 -0.76 0.00 0.00 175.35 174.01 1yth s PRO 44 N -1.04 4.51 0.04 -1.68 0.02 -1.26 -0.55 135.00 135.03 1yth s PRO 44 Ca 0.06 1.87 -0.03 0.00 0.02 0.00 0.00 61.00 62.93 1yth s PRO 44 Cb -0.08 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1yth s PRO 44 CO 0.01 -0.04 0.02 0.21 -0.33 0.00 0.00 177.00 176.87 1yth s LYS 45 N -0.49 0.52 -0.12 5.54 2.20 -0.56 -4.91 119.74 121.92 1yth s LYS 45 Ca 0.51 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 1yth s LYS 45 Cb -0.33 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.19 1yth s LYS 45 CO 0.38 -0.11 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.41 1yth s MET 46 N -2.76 2.87 0.08 4.03 -1.94 -1.26 -0.45 119.30 119.88 1yth s MET 46 Ca -0.04 -0.81 0.10 0.00 -1.71 0.00 0.00 55.69 53.24 1yth s MET 46 Cb -0.00 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 1yth s MET 46 CO -0.06 0.03 -0.26 0.96 -0.01 0.00 0.00 175.02 175.68 1yth s ILE 47 N 0.71 2.15 0.25 2.53 -4.36 -0.41 -4.96 121.20 117.11 1yth s ILE 47 Ca -0.10 -1.55 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1yth s ILE 47 Cb -0.16 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 1yth s ILE 47 CO 0.01 0.22 0.07 -0.83 0.24 0.00 0.00 174.94 174.66 1yth s GLY 48 N -1.62 1.66 0.00 6.27 0.00 -1.26 -1.00 107.32 111.37 1yth s GLY 48 Ca 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1yth s GLY 48 CO 0.04 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1yth n GLY 49 N -0.44 -0.96 3.74 0.20 0.00 -0.55 -4.98 105.19 102.21 1yth n GLY 49 Ca -0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1yth n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yth s ILE 50 N -4.00 2.44 0.00 -0.61 1.01 -1.26 -2.00 121.20 116.78 1yth s ILE 50 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1yth s ILE 50 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1yth s ILE 50 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1yth n GLY 51 N 2.66 1.73 0.00 6.18 0.00 -1.26 -4.90 105.19 109.60 1yth n GLY 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yth n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yth n GLY 52 N -2.00 0.28 3.40 -0.02 0.00 -0.85 -5.08 105.19 100.92 1yth n GLY 52 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1yth n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yth s PHE 53 N -0.35 2.32 0.08 1.61 0.40 -1.26 -1.48 117.98 119.30 1yth s PHE 53 Ca 0.00 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.02 1yth s PHE 53 Cb 0.00 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1yth s PHE 53 CO 0.00 0.36 -0.17 0.96 0.70 0.00 0.00 175.22 177.08 1yth s ILE 54 N -1.14 1.33 -0.11 0.64 -4.36 -0.17 -4.96 121.20 112.43 1yth s ILE 54 Ca 0.15 -1.41 -0.20 0.00 -0.26 0.00 0.00 60.65 58.94 1yth s ILE 54 Cb -0.10 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 1yth s ILE 54 CO 0.07 -0.17 0.54 -1.59 0.24 0.00 0.00 174.94 174.03 1yth s LYS 55 N -1.83 4.35 0.30 0.37 0.00 -1.26 -1.29 119.74 120.38 1yth s LYS 55 Ca 0.01 0.57 0.04 0.00 0.00 0.00 0.00 55.97 56.59 1yth s LYS 55 Cb -0.10 -3.45 -0.06 0.00 0.00 0.00 0.00 37.83 34.22 1yth s LYS 55 CO 0.03 0.10 0.04 0.14 0.00 0.00 0.00 175.35 175.66 1yth s VAL 56 N 0.79 1.17 -0.19 1.79 -7.23 0.40 -4.55 120.40 112.59 1yth s VAL 56 Ca 0.29 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.40 1yth s VAL 56 Cb -0.16 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1yth s VAL 56 CO 0.12 -0.07 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.71 1yth s ARG 57 N -3.88 3.64 -0.28 4.82 0.52 0.14 -1.50 118.95 122.41 1yth s ARG 57 Ca 0.35 -0.51 -0.19 0.00 -0.52 0.00 0.00 55.73 54.85 1yth s ARG 57 Cb 0.08 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1yth s ARG 57 CO 0.14 0.08 0.59 -1.14 0.02 0.00 0.00 175.30 174.99 1yth s GLN 58 N 0.81 4.00 0.01 3.54 0.74 0.28 -0.87 119.66 128.18 1yth s GLN 58 Ca 0.00 0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.80 1yth s GLN 58 Cb -0.14 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 1yth s GLN 58 CO 0.02 -0.46 -0.05 0.71 -0.55 0.00 0.00 175.29 174.96 1yth s TYR 59 N 2.48 2.93 0.21 1.67 1.51 0.50 -1.86 117.35 124.79 1yth s TYR 59 Ca 0.24 -0.01 0.10 0.00 -1.01 0.00 0.00 57.07 56.38 1yth s TYR 59 Cb -0.15 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1yth s TYR 59 CO 0.10 0.40 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.31 1yth s ASP 60 N -1.52 4.06 -1.48 2.29 1.01 -1.26 -0.97 116.67 118.80 1yth s ASP 60 Ca 0.18 -0.69 -0.07 0.00 0.71 0.00 0.00 52.55 52.68 1yth s ASP 60 Cb -0.11 -0.60 0.01 0.00 1.01 0.00 0.00 42.92 43.23 1yth s ASP 60 CO 0.09 0.09 0.82 0.00 0.21 0.00 0.00 175.17 176.37 1yth n GLN 61 N -0.12 -5.91 -3.10 8.23 1.13 -0.88 -4.90 117.38 111.83 1yth n GLN 61 Ca -0.10 0.85 -0.40 0.00 -1.94 0.00 0.00 57.00 55.41 1yth n GLN 61 Cb 0.56 -5.77 -0.06 0.00 0.11 0.00 0.00 30.24 25.09 1yth n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yth s ILE 62 N -3.22 5.02 0.21 5.09 -1.09 -0.28 -4.73 121.20 122.20 1yth s ILE 62 Ca 0.42 1.24 -0.24 0.00 -2.23 0.00 0.00 60.65 59.84 1yth s ILE 62 Cb -0.19 -3.96 -0.08 0.00 -1.58 0.00 0.00 42.46 36.64 1yth s ILE 62 CO 0.52 0.13 0.80 -2.84 -1.23 0.00 0.00 174.94 172.33 1yth s PRO 63 N 1.72 4.50 -0.02 2.79 0.02 -1.26 -1.51 135.00 141.25 1yth s PRO 63 Ca 0.30 1.12 -0.01 0.00 0.02 0.00 0.00 61.00 62.43 1yth s PRO 63 Cb -0.16 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1yth s PRO 63 CO 0.11 0.47 0.04 0.08 -0.33 0.00 0.00 177.00 177.38 1yth s VAL 64 N -1.33 -0.00 -0.19 3.83 1.01 -0.68 -4.38 120.40 118.65 1yth s VAL 64 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1yth s VAL 64 Cb -0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1yth s VAL 64 CO 0.25 0.00 -0.09 -1.83 0.00 0.00 0.00 175.10 173.43 1yth s GLU 65 N 0.03 3.32 -0.28 2.72 1.03 -0.65 -0.83 118.70 124.04 1yth s GLU 65 Ca -0.00 -0.67 -0.02 0.00 0.03 0.00 0.00 54.97 54.31 1yth s GLU 65 Cb -0.00 -2.84 0.04 0.00 -0.80 0.00 0.00 34.13 30.52 1yth s GLU 65 CO 0.00 -0.09 -0.02 0.42 -1.33 0.00 0.00 175.26 174.24 1yth s ILE 66 N 1.15 2.96 -1.37 1.83 1.01 0.36 -0.97 121.20 126.17 1yth s ILE 66 Ca 0.01 -1.24 -0.02 0.00 0.00 0.00 0.00 60.65 59.40 1yth s ILE 66 Cb -0.14 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.71 1yth s ILE 66 CO -0.03 0.01 0.63 0.00 0.00 0.00 0.00 174.94 175.56 1yth n GLY 68 N -1.72 0.21 3.62 0.00 0.00 -1.26 -4.96 105.19 101.08 1yth n GLY 68 Ca -0.26 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1yth n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yth s HIS 69 N -1.35 3.24 0.18 1.61 4.02 -0.19 -5.07 115.29 117.73 1yth s HIS 69 Ca 0.00 0.03 -0.18 0.00 1.02 0.00 0.00 55.06 55.93 1yth s HIS 69 Cb 0.00 -2.10 -0.08 0.00 -1.02 0.00 0.00 32.58 29.38 1yth s HIS 69 CO 0.00 0.10 0.66 -1.59 1.02 0.00 0.00 174.74 174.93 1yth s LYS 70 N 0.53 4.18 0.26 1.40 0.00 -1.26 -0.48 119.74 124.36 1yth s LYS 70 Ca 0.03 0.76 -0.07 0.00 0.00 0.00 0.00 55.97 56.70 1yth s LYS 70 Cb -0.13 -2.94 -0.01 0.00 0.00 0.00 0.00 37.83 34.75 1yth s LYS 70 CO 0.01 0.45 0.38 0.00 0.00 0.00 0.00 175.35 176.18 1yth s ALA 71 N -1.46 0.43 -0.28 0.59 0.00 -0.01 -4.71 121.76 116.31 1yth s ALA 71 Ca 0.40 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1yth s ALA 71 Cb -0.17 1.19 0.09 0.00 0.00 0.00 0.00 23.12 24.23 1yth s ALA 71 CO 0.20 -0.76 0.71 -1.50 0.00 0.00 0.00 175.76 174.41 1yth s ILE 72 N -3.83 -0.16 0.00 0.00 2.07 -1.26 -1.69 121.20 116.34 1yth s ILE 72 Ca 0.29 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1yth s ILE 72 Cb 0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.61 1yth s ILE 72 CO 0.13 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 1yth n GLY 73 N 4.46 1.13 3.75 1.50 0.00 -0.57 -4.85 105.19 110.61 1yth n GLY 73 Ca -0.19 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1yth n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yth s THR 74 N -1.74 3.99 -0.04 2.61 2.01 -1.26 -1.13 115.64 120.08 1yth s THR 74 Ca 0.00 2.01 0.03 0.00 0.31 0.00 0.00 61.69 64.03 1yth s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1yth s THR 74 CO 0.00 0.48 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.61 1yth s VAL 75 N -1.17 0.99 -0.15 3.82 1.01 -0.14 -4.34 120.40 120.42 1yth s VAL 75 Ca 0.42 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1yth s VAL 75 Cb -0.27 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1yth s VAL 75 CO 0.33 0.31 0.10 -0.76 0.00 0.00 0.00 175.10 175.08 1yth s LEU 76 N 0.36 4.08 -0.13 3.92 1.43 0.01 -0.37 118.68 127.99 1yth s LEU 76 Ca -0.07 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1yth s LEU 76 Cb -0.12 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1yth s LEU 76 CO 0.02 0.28 -0.19 -0.69 0.23 0.00 0.00 176.35 176.00 1yth s VAL 77 N -0.28 2.42 0.25 -1.59 1.01 -0.05 0.13 120.40 122.29 1yth s VAL 77 Ca 0.10 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 1yth s VAL 77 Cb -0.12 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.35 1yth s VAL 77 CO 0.01 0.54 0.96 -0.83 0.00 0.00 0.00 175.10 175.78 1yth s GLY 78 N 0.59 0.18 0.00 4.51 0.00 -0.85 -0.68 107.32 111.06 1yth s GLY 78 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1yth s GLY 78 CO 0.03 1.50 0.66 -1.55 0.00 0.00 0.00 173.10 173.74 1yth n PRO 79 N -0.64 0.48 -1.95 2.90 -0.04 -1.26 -2.58 135.00 131.91 1yth n PRO 79 Ca -0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1yth n PRO 79 Cb 0.60 -1.26 0.02 0.00 -0.04 0.00 0.00 33.50 32.82 1yth n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1yth s THR 80 N 0.72 2.43 0.29 0.52 -1.32 -1.26 -4.95 115.64 112.08 1yth s THR 80 Ca 0.00 0.33 0.23 0.00 -1.21 0.00 0.00 61.69 61.04 1yth s THR 80 Cb 0.00 -3.17 0.22 0.00 -1.51 0.00 0.00 72.50 68.04 1yth s THR 80 CO 0.00 0.00 1.91 1.55 -2.21 0.00 0.00 174.62 175.87 1yth h PRO 81 N 1.74 0.00 -4.83 7.08 0.13 -1.99 -3.43 132.00 130.70 1yth h PRO 81 Ca -0.50 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.24 1yth h PRO 81 Cb 1.28 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.14 1yth h PRO 81 CO 0.59 0.23 -0.77 0.08 -0.23 0.00 0.00 178.00 177.89 1yth s VAL 82 N -3.94 0.77 0.19 1.56 1.01 -1.26 -5.03 120.40 113.70 1yth s VAL 82 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1yth s VAL 82 Cb 0.12 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 1yth s VAL 82 CO 0.64 0.05 1.21 0.20 0.00 0.00 0.00 175.10 177.20 1yth s ASN 83 N -0.66 7.06 -0.10 3.32 0.01 -1.26 -4.61 114.94 118.70 1yth s ASN 83 Ca 0.01 2.26 0.02 0.00 -0.71 0.00 0.00 52.86 54.44 1yth s ASN 83 Cb -0.06 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1yth s ASN 83 CO 0.00 -0.39 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.42 1yth s ILE 84 N -0.08 1.49 -0.31 0.60 1.01 0.62 -0.68 121.20 123.85 1yth s ILE 84 Ca 0.53 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 1yth s ILE 84 Cb -0.33 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1yth s ILE 84 CO 0.37 0.44 0.36 -0.63 0.00 0.00 0.00 174.94 175.48 1yth s ILE 85 N 0.88 5.17 0.53 2.92 -1.09 0.29 -1.19 121.20 128.71 1yth s ILE 85 Ca -0.09 0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 1yth s ILE 85 Cb -0.15 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.03 1yth s ILE 85 CO 0.00 0.04 0.50 0.61 -1.23 0.00 0.00 174.94 174.86 1yth n GLY 86 N 4.84 2.54 0.38 6.18 0.00 -1.26 -0.80 105.19 117.07 1yth n GLY 86 Ca -0.09 -2.27 0.15 0.00 0.00 0.00 0.00 46.02 43.80 1yth n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yth h ARG 87 N 0.00 0.44 -0.56 1.61 3.08 -0.53 -1.67 114.38 116.76 1yth h ARG 87 Ca -0.31 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.82 1yth h ARG 87 Cb 1.21 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1yth h ARG 87 CO 0.48 0.29 0.38 -2.95 -1.07 0.00 0.00 179.97 177.11 1yth h ASN 88 N 0.46 0.27 0.06 7.04 -1.07 -1.55 -1.71 115.58 119.08 1yth h ASN 88 Ca 0.38 0.01 -0.33 0.00 0.07 0.00 0.00 56.30 56.42 1yth h ASN 88 Cb 0.82 -0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 36.96 1yth h ASN 88 CO -0.13 0.16 -2.28 0.18 0.07 0.00 0.00 177.43 175.43 1yth n LEU 89 N -4.46 0.10 -0.12 6.14 4.77 -0.69 -4.22 117.00 118.52 1yth n LEU 89 Ca 0.09 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1yth n LEU 89 Cb 0.42 0.43 0.22 0.00 -2.33 0.00 0.00 43.42 42.15 1yth n LEU 89 CO 0.34 0.45 1.01 -0.07 -1.33 0.00 0.00 177.39 177.79 1yth h LEU 90 N 0.00 0.74 -1.01 2.23 3.38 -1.11 -1.40 115.31 118.14 1yth h LEU 90 Ca -0.48 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 1yth h LEU 90 Cb 2.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 1yth h LEU 90 CO 0.03 0.71 0.32 0.71 0.09 0.00 0.00 178.44 180.30 1yth h THR 91 N 0.79 1.23 0.00 0.22 1.35 -1.51 -1.10 112.91 113.88 1yth h THR 91 Ca 0.18 -0.69 -0.06 0.00 -0.55 0.00 0.00 66.41 65.29 1yth h THR 91 Cb 0.23 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1yth h THR 91 CO -0.01 0.29 -0.28 1.56 -0.25 0.00 0.00 175.52 176.83 1yth h GLN 92 N 1.02 0.00 -0.56 4.72 4.20 -1.44 -2.26 115.11 120.79 1yth h GLN 92 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1yth h GLN 92 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1yth h GLN 92 CO -0.03 0.28 0.00 0.44 -0.67 0.00 0.00 178.83 178.85 1yth n ILE 93 N -3.66 0.74 -2.44 2.54 -5.35 -1.00 -4.91 119.36 105.29 1yth n ILE 93 Ca -0.01 -0.76 -0.10 0.00 -0.27 0.00 0.00 62.75 61.61 1yth n ILE 93 Cb 0.40 0.42 0.01 0.00 -1.74 0.00 0.00 39.64 38.73 1yth n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yth n GLY 94 N 1.42 0.08 3.74 3.28 0.00 -0.85 -5.00 105.19 107.86 1yth n GLY 94 Ca 0.19 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1yth n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yth s THR 96 N -0.74 0.61 -0.12 0.00 -1.32 -1.26 -4.69 115.64 108.12 1yth s THR 96 Ca 0.43 -1.48 -0.05 0.00 -1.21 0.00 0.00 61.69 59.38 1yth s THR 96 Cb -0.25 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 1yth s THR 96 CO 0.31 -0.61 0.08 -0.76 -2.21 0.00 0.00 174.62 171.44 1yth s LEU 97 N -2.26 4.02 0.00 9.08 1.43 -1.26 -5.09 118.68 124.61 1yth s LEU 97 Ca 0.00 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1yth s LEU 97 Cb -0.03 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1yth s LEU 97 CO -0.02 0.35 -0.02 0.20 0.23 0.00 0.00 176.35 177.09 1yth s ASN 98 N -0.71 0.24 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.34 1yth s ASN 98 Ca 0.12 -0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.33 1yth s ASN 98 Cb -0.12 -0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.10 1yth s ASN 98 CO 0.03 -0.00 0.00 2.22 -2.57 0.00 0.00 177.10 176.77