#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujv n SER 2 N 0.00 0.59 0.00 1.61 2.88 -1.26 -5.12 113.62 112.33 1ujv n SER 2 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1ujv n SER 2 Cb 0.00 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1ujv n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujv n SER 3 N -3.30 0.00 0.00 -3.46 7.64 -1.26 -4.94 113.62 108.31 1ujv n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ujv n SER 3 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1ujv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujv n GLY 4 N 0.00 0.81 3.22 0.23 0.00 -1.26 -5.16 105.19 103.03 1ujv n GLY 4 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1ujv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujv s SER 5 N -0.25 0.14 0.23 1.61 1.04 -1.26 -5.18 113.70 110.03 1ujv s SER 5 Ca 0.00 -1.34 0.04 0.00 0.48 0.00 0.00 55.95 55.12 1ujv s SER 5 Cb 0.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1ujv s SER 5 CO 0.00 -0.85 -0.02 -0.44 0.98 0.00 0.00 173.24 172.91 1ujv s SER 6 N -3.14 1.91 0.00 7.02 0.01 -1.26 -5.13 113.70 113.10 1ujv s SER 6 Ca 0.37 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1ujv s SER 6 Cb 0.06 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1ujv s SER 6 CO 0.11 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1ujv n GLY 7 N -0.42 3.17 3.27 3.44 0.00 -1.26 -5.20 105.19 108.20 1ujv n GLY 7 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1ujv n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ujv s GLN 8 N -0.67 0.90 0.23 1.61 1.03 -1.26 -5.17 119.66 116.33 1ujv s GLN 8 Ca 0.00 -0.62 -0.02 0.00 0.04 0.00 0.00 55.36 54.77 1ujv s GLN 8 Cb 0.00 0.39 0.01 0.00 0.03 0.00 0.00 33.01 33.44 1ujv s GLN 8 CO 0.00 -0.31 0.33 0.00 -2.54 0.00 0.00 175.29 172.77 1ujv n ALA 9 N 0.24 -0.29 -3.59 2.60 0.00 -1.26 -5.13 120.51 113.07 1ujv n ALA 9 Ca -0.17 -1.03 -0.27 0.00 0.00 0.00 0.00 53.44 51.96 1ujv n ALA 9 Cb 0.61 0.83 -0.16 0.00 0.00 0.00 0.00 19.45 20.73 1ujv n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ujv s GLU 10 N -2.48 0.17 0.13 0.00 2.12 -1.26 -5.15 118.70 112.23 1ujv s GLU 10 Ca 0.18 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1ujv s GLU 10 Cb -0.01 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 1ujv s GLU 10 CO 0.13 -0.82 0.23 -0.51 -0.54 0.00 0.00 175.26 173.76 1ujv s LEU 11 N 2.09 4.23 -0.37 2.70 2.01 -1.26 -4.81 118.68 123.27 1ujv s LEU 11 Ca 0.05 0.14 -0.22 0.00 0.01 0.00 0.00 54.13 54.11 1ujv s LEU 11 Cb -0.16 -2.82 0.01 0.00 0.01 0.00 0.00 46.19 43.23 1ujv s LEU 11 CO -0.21 0.09 0.72 -0.04 1.01 0.00 0.00 176.35 177.92 1ujv s MET 12 N -3.00 3.67 0.19 1.70 -1.94 -1.11 -4.90 119.30 113.91 1ujv s MET 12 Ca 0.34 0.14 -0.30 0.00 -1.71 0.00 0.00 55.69 54.16 1ujv s MET 12 Cb -0.11 -3.83 -0.08 0.00 2.01 0.00 0.00 34.83 32.82 1ujv s MET 12 CO 0.27 -0.84 1.01 0.99 -0.01 0.00 0.00 175.02 176.44 1ujv s THR 13 N 2.95 4.07 0.17 2.05 2.01 -1.26 -1.27 115.64 124.37 1ujv s THR 13 Ca 0.28 1.88 0.04 0.00 0.31 0.00 0.00 61.69 64.21 1ujv s THR 13 Cb -0.14 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1ujv s THR 13 CO 0.17 0.37 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.64 1ujv s LEU 14 N -0.65 2.42 0.05 4.42 1.43 -0.04 -4.99 118.68 121.33 1ujv s LEU 14 Ca 0.45 -1.08 0.09 0.00 -1.03 0.00 0.00 54.13 52.57 1ujv s LEU 14 Cb -0.27 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 1ujv s LEU 14 CO 0.33 -0.39 -0.26 -0.89 0.23 0.00 0.00 176.35 175.38 1ujv s THR 15 N -3.35 2.18 0.10 5.49 2.01 -1.26 -1.32 115.64 119.49 1ujv s THR 15 Ca 0.20 -1.41 -0.00 0.00 0.31 0.00 0.00 61.69 60.79 1ujv s THR 15 Cb 0.03 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1ujv s THR 15 CO 0.03 0.34 0.01 0.27 -0.69 0.00 0.00 174.62 174.58 1ujv s ILE 16 N -0.83 0.28 -0.02 1.82 -4.36 -0.21 -3.91 121.20 113.96 1ujv s ILE 16 Ca 0.12 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.65 1ujv s ILE 16 Cb -0.10 -1.83 -0.00 0.00 1.25 0.00 0.00 42.46 41.77 1ujv s ILE 16 CO 0.03 -0.69 -0.10 -0.69 0.24 0.00 0.00 174.94 173.73 1ujv s VAL 17 N -3.91 0.80 -0.98 8.37 1.01 -1.18 -0.53 120.40 123.98 1ujv s VAL 17 Ca 0.17 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1ujv s VAL 17 Cb 0.07 -0.69 0.22 0.00 0.00 0.00 0.00 36.38 35.98 1ujv s VAL 17 CO -0.03 0.24 1.00 -0.75 0.00 0.00 0.00 175.10 175.57 1ujv s LYS 18 N 0.04 3.87 0.01 2.72 2.20 -1.14 -4.60 119.74 122.84 1ujv s LYS 18 Ca -0.01 -2.66 -0.03 0.00 -0.36 0.00 0.00 55.97 52.92 1ujv s LYS 18 Cb -0.07 -4.60 -0.01 0.00 -1.51 0.00 0.00 37.83 31.64 1ujv s LYS 18 CO 0.00 -1.38 1.04 0.78 -0.36 0.00 0.00 175.35 175.43 1ujv h GLY 19 N 7.92 -1.07 0.00 5.54 0.00 -1.92 0.21 103.07 113.75 1ujv h GLY 19 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1ujv h GLY 19 CO 0.94 -0.40 0.00 0.00 0.00 0.00 0.00 176.54 177.08 1ujv n ALA 20 N -2.42 0.35 0.51 3.60 0.00 -1.26 -4.26 120.51 117.03 1ujv n ALA 20 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ujv n ALA 20 Cb 0.03 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.57 1ujv n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ujv n GLN 21 N -3.26 0.26 -1.08 0.00 6.02 -1.26 -4.72 117.38 113.34 1ujv n GLN 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ujv n GLN 21 Cb 0.00 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ujv n GLY 22 N -0.33 -0.03 1.22 1.08 0.00 -1.26 -4.99 105.19 100.87 1ujv n GLY 22 Ca 0.02 -0.34 0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ujv n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ujv n PHE 23 N -0.66 -3.13 -2.17 1.61 3.01 -1.26 -4.60 117.46 110.26 1ujv n PHE 23 Ca 0.00 1.61 -0.33 0.00 1.01 0.00 0.00 57.45 59.75 1ujv n PHE 23 Cb 0.30 -2.84 0.02 0.00 -0.01 0.00 0.00 39.48 36.95 1ujv n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ujv n GLY 24 N -3.93 5.81 3.53 1.37 0.00 -1.26 -4.73 105.19 105.97 1ujv n GLY 24 Ca -0.02 -2.62 -0.10 0.00 0.00 0.00 0.00 46.02 43.28 1ujv n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ujv s PHE 25 N -3.79 -0.30 0.29 1.61 -0.12 -1.26 -0.19 117.98 114.22 1ujv s PHE 25 Ca 0.51 -0.01 0.10 0.00 -0.05 0.00 0.00 56.93 57.48 1ujv s PHE 25 Cb 0.42 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 43.26 1ujv s PHE 25 CO -0.27 -0.94 -0.15 0.95 -0.05 0.00 0.00 175.22 174.76 1ujv s THR 26 N -3.83 2.27 0.28 -4.49 -4.23 0.06 -4.93 115.64 100.78 1ujv s THR 26 Ca 0.06 -2.31 0.09 0.00 -1.18 0.00 0.00 61.69 58.35 1ujv s THR 26 Cb -0.02 -2.38 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 1ujv s THR 26 CO -0.06 -0.36 -0.11 0.27 -0.54 0.00 0.00 174.62 173.82 1ujv s ILE 27 N -2.63 1.97 -0.00 2.99 -4.36 -1.26 -0.76 121.20 117.16 1ujv s ILE 27 Ca 0.30 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1ujv s ILE 27 Cb -0.02 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 1ujv s ILE 27 CO 0.14 -0.35 -0.03 0.00 0.24 0.00 0.00 174.94 174.94 1ujv s ALA 28 N -2.81 0.25 -0.10 2.27 0.00 0.41 -4.51 121.76 117.28 1ujv s ALA 28 Ca 0.29 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 1ujv s ALA 28 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1ujv s ALA 28 CO 0.13 0.05 1.41 0.34 0.00 0.00 0.00 175.76 177.69 1ujv s ASP 29 N -0.11 6.84 0.39 0.00 2.15 -1.26 -0.68 116.67 124.00 1ujv s ASP 29 Ca 0.01 1.95 0.08 0.00 0.43 0.00 0.00 52.55 55.01 1ujv s ASP 29 Cb -0.01 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1ujv s ASP 29 CO -0.00 -0.80 0.25 -0.94 -0.17 0.00 0.00 175.17 173.51 1ujv s SER 30 N 2.40 4.78 0.03 -0.34 1.04 -0.36 -4.93 113.70 116.32 1ujv s SER 30 Ca 0.62 -0.84 0.09 0.00 0.48 0.00 0.00 55.95 56.30 1ujv s SER 30 Cb -0.27 -0.61 0.39 0.00 0.10 0.00 0.00 66.02 65.63 1ujv s SER 30 CO 0.22 -0.51 1.28 -0.81 0.98 0.00 0.00 173.24 174.40 1ujv n PRO 31 N -1.34 0.02 -0.07 4.02 -0.04 -1.26 -3.04 135.00 133.28 1ujv n PRO 31 Ca 0.00 0.39 0.03 0.00 -0.04 0.00 0.00 63.50 63.89 1ujv n PRO 31 Cb 0.62 -1.55 0.07 0.00 -0.04 0.00 0.00 33.50 32.61 1ujv n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujv n THR 32 N -1.58 0.72 0.00 0.52 -2.24 -1.26 -5.09 114.28 105.34 1ujv n THR 32 Ca 0.02 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1ujv n THR 32 Cb 0.09 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1ujv n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ujv n GLY 33 N 0.17 0.46 3.81 3.38 0.00 -1.17 -4.93 105.19 106.90 1ujv n GLY 33 Ca 0.06 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1ujv n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujv s GLN 34 N -0.44 3.98 0.22 1.61 -1.52 -1.26 -1.22 119.66 121.03 1ujv s GLN 34 Ca 0.00 1.26 0.04 0.00 -1.95 0.00 0.00 55.36 54.72 1ujv s GLN 34 Cb 0.00 -2.13 -0.05 0.00 -0.22 0.00 0.00 33.01 30.61 1ujv s GLN 34 CO 0.00 -0.26 -0.04 1.03 -0.25 0.00 0.00 175.29 175.77 1ujv s ARG 35 N -3.21 1.31 -0.05 2.91 0.52 0.15 -0.67 118.95 119.91 1ujv s ARG 35 Ca 0.65 -1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 53.92 1ujv s ARG 35 Cb -0.13 -0.73 -0.05 0.00 0.52 0.00 0.00 34.95 34.57 1ujv s ARG 35 CO 0.17 -0.03 1.45 0.08 0.02 0.00 0.00 175.30 176.99 1ujv s VAL 36 N -3.32 3.79 -0.04 3.52 1.01 -1.08 -0.44 120.40 123.84 1ujv s VAL 36 Ca 0.26 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 1ujv s VAL 36 Cb 0.04 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1ujv s VAL 36 CO 0.07 -0.05 0.43 0.50 0.00 0.00 0.00 175.10 176.05 1ujv h LYS 37 N 8.45 -0.30 -2.50 2.72 1.63 -1.17 -2.78 116.57 122.61 1ujv h LYS 37 Ca -0.36 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.37 1ujv h LYS 37 Cb 1.16 0.07 -0.21 0.00 -0.60 0.00 0.00 32.23 32.65 1ujv h LYS 37 CO 0.93 -0.20 -0.07 -1.14 -3.45 0.00 0.00 179.45 175.52 1ujv s GLN 38 N -2.59 0.75 0.02 1.90 0.74 -1.22 -4.74 119.66 114.52 1ujv s GLN 38 Ca -0.05 0.34 -0.20 0.00 0.05 0.00 0.00 55.36 55.50 1ujv s GLN 38 Cb 0.00 0.35 -0.06 0.00 1.10 0.00 0.00 33.01 34.41 1ujv s GLN 38 CO 0.14 -0.17 0.58 0.42 -0.55 0.00 0.00 175.29 175.70 1ujv s ILE 39 N -0.58 4.86 -0.02 -2.34 1.01 -1.26 -0.76 121.20 122.11 1ujv s ILE 39 Ca -0.07 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1ujv s ILE 39 Cb -0.03 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 1ujv s ILE 39 CO 0.04 0.47 0.07 0.18 0.00 0.00 0.00 174.94 175.70 1ujv n LEU 40 N 2.39 0.13 -3.24 2.97 4.77 0.73 -4.94 117.00 119.80 1ujv n LEU 40 Ca -0.08 -0.55 -0.02 0.00 -0.03 0.00 0.00 56.01 55.32 1ujv n LEU 40 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1ujv n LEU 40 CO 0.43 0.03 0.05 -0.62 -1.33 0.00 0.00 177.39 175.95 1ujv s ASP 41 N -0.93 -0.60 0.09 -1.43 -1.08 0.38 -4.93 116.67 108.17 1ujv s ASP 41 Ca 0.00 0.47 -0.27 0.00 -0.52 0.00 0.00 52.55 52.22 1ujv s ASP 41 Cb 0.00 1.65 -0.13 0.00 -1.46 0.00 0.00 42.92 42.98 1ujv s ASP 41 CO 0.01 -0.29 1.66 0.40 0.52 0.00 0.00 175.17 177.48 1ujv h ILE 42 N 6.09 0.57 0.00 4.11 2.04 -1.93 -1.20 117.51 127.18 1ujv h ILE 42 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1ujv h ILE 42 Cb 1.16 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1ujv h ILE 42 CO 0.26 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.41 1ujv n GLN 43 N -5.33 0.37 0.16 2.37 6.02 -1.26 -0.80 117.38 118.92 1ujv n GLN 43 Ca -0.09 0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 1ujv n GLN 43 Cb 0.24 -1.50 0.47 0.00 1.02 0.00 0.00 30.24 30.47 1ujv n GLN 43 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ujv h GLY 44 N 3.22 0.00 -5.39 1.08 0.00 -1.52 -3.39 103.07 97.07 1ujv h GLY 44 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1ujv h GLY 44 CO 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.74 1ujv s PRO 46 N -1.12 3.41 0.00 0.00 0.04 -1.05 -1.21 135.00 135.06 1ujv s PRO 46 Ca 0.30 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1ujv s PRO 46 Cb 0.34 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1ujv s PRO 46 CO -0.06 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1ujv n GLY 47 N 5.38 0.57 3.75 0.56 0.00 -1.26 -4.46 105.19 109.74 1ujv n GLY 47 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1ujv n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ujv s LEU 48 N 0.00 4.57 0.00 0.99 2.96 -0.35 -4.98 118.68 121.86 1ujv s LEU 48 Ca 0.00 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1ujv s LEU 48 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1ujv s LEU 48 CO 0.00 -0.08 0.90 0.00 -1.32 0.00 0.00 176.35 175.84 1ujv n GLU 50 N -0.40 -2.81 -0.33 0.00 1.02 -1.26 -4.78 120.64 112.09 1ujv n GLU 50 Ca 0.00 2.20 0.00 0.00 -0.02 0.00 0.00 57.16 59.34 1ujv n GLU 50 Cb 0.29 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 1ujv n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujv n GLY 51 N -2.61 0.00 3.71 0.62 0.00 -1.05 -4.94 105.19 100.92 1ujv n GLY 51 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1ujv n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujv s ASP 52 N -1.89 3.59 -0.28 1.61 1.01 -1.26 -4.68 116.67 114.77 1ujv s ASP 52 Ca 0.00 2.16 -0.04 0.00 0.71 0.00 0.00 52.55 55.37 1ujv s ASP 52 Cb 0.00 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.39 1ujv s ASP 52 CO 0.00 -2.66 0.02 -0.22 0.21 0.00 0.00 175.17 172.52 1ujv s LEU 53 N -6.07 3.62 0.15 1.23 1.98 -1.26 -2.64 118.68 115.68 1ujv s LEU 53 Ca 0.68 -0.86 -0.31 0.00 -2.89 0.00 0.00 54.13 50.74 1ujv s LEU 53 Cb -0.23 -1.77 -0.09 0.00 0.66 0.00 0.00 46.19 44.75 1ujv s LEU 53 CO 0.54 -0.18 1.54 -0.63 -1.89 0.00 0.00 176.35 175.73 1ujv s ILE 54 N 1.40 2.79 0.02 6.68 1.01 0.15 -1.37 121.20 131.88 1ujv s ILE 54 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1ujv s ILE 54 Cb -0.17 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1ujv s ILE 54 CO -0.01 0.04 0.00 0.52 0.00 0.00 0.00 174.94 175.49 1ujv n VAL 55 N 4.04 0.15 -4.34 2.92 0.31 -0.75 -4.42 118.33 116.24 1ujv n VAL 55 Ca 0.14 0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 64.32 1ujv n VAL 55 Cb 0.39 -1.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.92 1ujv n VAL 55 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ujv s GLU 56 N -2.00 0.91 -0.13 5.55 2.02 -0.64 -1.31 118.70 123.10 1ujv s GLU 56 Ca 0.00 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.27 1ujv s GLU 56 Cb 0.00 -0.90 0.02 0.00 0.10 0.00 0.00 34.13 33.35 1ujv s GLU 56 CO 0.00 0.22 -0.14 0.42 0.02 0.00 0.00 175.26 175.78 1ujv s ILE 57 N -0.83 1.51 -1.69 -1.63 1.01 -0.86 -0.66 121.20 118.06 1ujv s ILE 57 Ca 0.01 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1ujv s ILE 57 Cb -0.08 -1.41 0.14 0.00 0.01 0.00 0.00 42.46 41.12 1ujv s ILE 57 CO 0.01 0.45 0.64 0.59 0.00 0.00 0.00 174.94 176.62 1ujv n ASN 58 N 4.54 -2.26 0.00 3.58 3.02 0.55 -0.52 115.26 124.17 1ujv n ASN 58 Ca -0.18 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1ujv n ASN 58 Cb 0.51 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 1ujv n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujv n GLN 59 N -4.34 -1.20 -2.63 3.52 6.02 -1.26 -5.00 117.38 112.49 1ujv n GLN 59 Ca -0.00 0.30 -0.40 0.00 -0.01 0.00 0.00 57.00 56.88 1ujv n GLN 59 Cb 0.53 -4.34 -0.05 0.00 1.02 0.00 0.00 30.24 27.39 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1ujv s GLN 60 N -1.31 4.73 -0.31 -1.09 0.74 0.32 -5.04 119.66 117.70 1ujv s GLN 60 Ca 0.00 1.61 -0.27 0.00 0.05 0.00 0.00 55.36 56.75 1ujv s GLN 60 Cb 0.00 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.85 1ujv s GLN 60 CO 0.00 0.32 0.96 1.21 -0.55 0.00 0.00 175.29 177.23 1ujv s ASN 61 N -0.77 6.83 -0.01 6.67 3.04 -1.26 -2.03 114.94 127.42 1ujv s ASN 61 Ca 0.44 0.91 0.02 0.00 0.04 0.00 0.00 52.86 54.26 1ujv s ASN 61 Cb -0.28 -2.49 0.02 0.00 -1.54 0.00 0.00 41.25 36.97 1ujv s ASN 61 CO 0.35 -0.76 0.76 1.33 -3.04 0.00 0.00 177.10 175.74 1ujv n VAL 62 N 5.71 0.30 0.22 -5.21 0.24 -0.43 -4.81 118.33 114.34 1ujv n VAL 62 Ca 0.09 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 1ujv n VAL 62 Cb 0.47 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.46 1ujv n VAL 62 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1ujv h GLN 63 N 0.00 -0.62 -0.00 7.34 1.08 -1.75 -3.14 115.11 118.02 1ujv h GLN 63 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1ujv h GLN 63 Cb 1.04 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1ujv h GLN 63 CO 0.00 -0.42 -0.05 -1.71 -0.95 0.00 0.00 178.83 175.71 1ujv n ASN 64 N -5.41 0.12 -4.75 1.46 5.15 -1.26 -4.41 115.26 106.16 1ujv n ASN 64 Ca -0.10 -0.08 -0.41 0.00 -0.60 0.00 0.00 54.58 53.39 1ujv n ASN 64 Cb 0.31 -0.27 -0.02 0.00 -0.53 0.00 0.00 39.78 39.28 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ujv s LEU 65 N -2.68 4.38 0.89 1.20 1.02 -1.19 -5.02 118.68 117.28 1ujv s LEU 65 Ca 0.24 2.72 -0.10 0.00 0.02 0.00 0.00 54.13 57.01 1ujv s LEU 65 Cb 0.20 -3.63 0.13 0.00 0.02 0.00 0.00 46.19 42.91 1ujv s LEU 65 CO 0.49 -0.74 1.12 -0.44 0.02 0.00 0.00 176.35 176.81 1ujv s SER 66 N 0.37 3.24 0.20 2.29 0.01 -1.26 -4.77 113.70 113.77 1ujv s SER 66 Ca 0.60 2.02 -0.14 0.00 1.31 0.00 0.00 55.95 59.74 1ujv s SER 66 Cb -0.43 -2.52 0.22 0.00 0.21 0.00 0.00 66.02 63.50 1ujv s SER 66 CO 0.44 -2.87 1.64 -0.74 0.41 0.00 0.00 173.24 172.13 1ujv h HIS 67 N -1.71 -0.24 -0.78 2.43 2.76 -1.97 -1.54 115.15 114.09 1ujv h HIS 67 Ca -0.45 0.05 0.09 0.00 -2.20 0.00 0.00 60.37 57.86 1ujv h HIS 67 Cb 1.26 0.20 -0.07 0.00 1.55 0.00 0.00 27.41 30.35 1ujv h HIS 67 CO 0.50 -0.23 0.43 1.15 -1.30 0.00 0.00 177.93 178.49 1ujv h THR 68 N 0.03 0.90 -0.51 6.26 2.02 -1.99 -0.45 112.91 119.18 1ujv h THR 68 Ca 0.29 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1ujv h THR 68 Cb 0.44 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1ujv h THR 68 CO -0.57 0.13 0.16 -0.33 0.37 0.00 0.00 175.52 175.28 1ujv h GLU 69 N 0.74 0.79 -0.30 6.66 4.39 -1.64 -0.01 114.58 125.20 1ujv h GLU 69 Ca 0.38 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.83 1ujv h GLU 69 Cb 0.35 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1ujv h GLU 69 CO -0.25 0.73 -0.14 0.28 -1.16 0.00 0.00 179.01 178.48 1ujv h VAL 70 N 0.69 1.29 -0.78 3.13 2.07 -0.99 -2.13 116.25 119.53 1ujv h VAL 70 Ca 0.16 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1ujv h VAL 70 Cb 0.27 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1ujv h VAL 70 CO -0.01 0.39 0.48 0.58 0.02 0.00 0.00 177.57 179.03 1ujv h VAL 71 N 0.39 1.03 -0.41 2.57 2.07 -0.88 -1.80 116.25 119.22 1ujv h VAL 71 Ca 0.07 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1ujv h VAL 71 Cb 0.66 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1ujv h VAL 71 CO 0.04 0.16 0.12 0.44 0.02 0.00 0.00 177.57 178.35 1ujv h ASP 72 N 0.88 0.61 -0.45 0.57 3.32 -0.76 -0.03 116.42 120.55 1ujv h ASP 72 Ca 0.34 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1ujv h ASP 72 Cb 0.15 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1ujv h ASP 72 CO -0.16 0.66 0.19 0.40 -1.72 0.00 0.00 179.24 178.61 1ujv h ILE 73 N 0.52 1.20 0.00 0.35 2.04 -1.14 0.35 117.51 120.83 1ujv h ILE 73 Ca 0.13 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1ujv h ILE 73 Cb 0.28 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1ujv h ILE 73 CO -0.00 0.23 -0.10 -0.07 0.00 0.00 0.00 178.15 178.20 1ujv h LEU 74 N 0.59 0.00 -0.13 1.44 3.38 -1.06 -1.98 115.31 117.54 1ujv h LEU 74 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1ujv h LEU 74 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ujv h LEU 74 CO -0.01 0.10 -0.52 0.11 0.09 0.00 0.00 178.44 178.21 1ujv h LYS 75 N 0.00 0.58 -0.75 1.13 1.57 0.22 -3.17 116.57 116.15 1ujv h LYS 75 Ca -0.00 -0.45 0.11 0.00 -1.87 0.00 0.00 60.65 58.44 1ujv h LYS 75 Cb 0.35 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1ujv h LYS 75 CO 0.01 1.07 0.50 -0.44 -0.57 0.00 0.00 179.45 180.02 1ujv h ASP 76 N 0.22 0.53 -3.05 0.86 3.32 -0.28 -3.44 116.42 114.59 1ujv h ASP 76 Ca -0.03 0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1ujv h ASP 76 Cb 1.15 -0.09 0.10 0.00 0.22 0.00 0.00 39.33 40.71 1ujv h ASP 76 CO 0.11 0.30 0.48 0.00 -1.72 0.00 0.00 179.24 178.41 1ujv s PRO 78 N -1.50 4.23 0.36 0.00 0.04 -1.26 -5.00 135.00 131.86 1ujv s PRO 78 Ca 0.59 2.14 -0.27 0.00 0.04 0.00 0.00 61.00 63.50 1ujv s PRO 78 Cb -0.61 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 1ujv s PRO 78 CO 0.59 -0.26 1.18 0.42 0.04 0.00 0.00 177.00 178.96 1ujv s ILE 79 N -1.20 3.16 0.00 0.56 -1.09 -1.26 -3.71 121.20 117.66 1ujv s ILE 79 Ca 0.52 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 60.00 1ujv s ILE 79 Cb -0.38 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1ujv s ILE 79 CO 0.50 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.99 1ujv n GLY 80 N 0.79 0.85 3.92 6.18 0.00 0.75 -4.92 105.19 112.76 1ujv n GLY 80 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1ujv n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujv s SER 81 N -2.72 5.65 0.63 1.61 0.01 -1.24 -4.77 113.70 112.86 1ujv s SER 81 Ca 0.00 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.77 1ujv s SER 81 Cb 0.00 -1.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 1ujv s SER 81 CO 0.00 -0.38 1.12 -1.61 0.41 0.00 0.00 173.24 172.78 1ujv s GLU 82 N -4.08 2.93 -0.00 12.44 8.01 -1.26 -2.88 118.70 133.85 1ujv s GLU 82 Ca 0.43 1.49 -0.01 0.00 0.01 0.00 0.00 54.97 56.89 1ujv s GLU 82 Cb -0.08 -1.96 -0.00 0.00 -4.31 0.00 0.00 34.13 27.78 1ujv s GLU 82 CO 0.29 -1.16 0.02 0.99 0.01 0.00 0.00 175.26 175.40 1ujv s THR 83 N -2.13 0.02 -0.26 3.63 2.01 0.31 -4.87 115.64 114.35 1ujv s THR 83 Ca 0.69 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.53 1ujv s THR 83 Cb -0.22 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1ujv s THR 83 CO 0.37 -0.07 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.77 1ujv s SER 84 N -0.20 4.55 0.15 3.53 0.01 -1.26 -1.05 113.70 119.44 1ujv s SER 84 Ca -0.02 -0.74 0.08 0.00 1.31 0.00 0.00 55.95 56.57 1ujv s SER 84 Cb -0.02 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1ujv s SER 84 CO -0.00 -0.13 -0.07 -0.76 0.41 0.00 0.00 173.24 172.69 1ujv s LEU 85 N 1.40 3.08 -0.12 2.44 1.02 -0.44 -0.33 118.68 125.73 1ujv s LEU 85 Ca 0.02 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 53.70 1ujv s LEU 85 Cb -0.16 -1.79 0.02 0.00 0.02 0.00 0.00 46.19 44.27 1ujv s LEU 85 CO -0.02 0.12 -0.12 -0.63 0.02 0.00 0.00 176.35 175.72 1ujv s ILE 86 N -1.55 1.35 0.33 -0.59 1.01 0.17 -0.86 121.20 121.07 1ujv s ILE 86 Ca 0.24 -0.52 0.10 0.00 0.00 0.00 0.00 60.65 60.47 1ujv s ILE 86 Cb -0.10 -1.28 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 1ujv s ILE 86 CO 0.16 0.42 -0.08 0.27 0.00 0.00 0.00 174.94 175.71 1ujv s ILE 87 N 1.34 2.41 -0.16 2.92 -5.25 -0.39 -1.61 121.20 120.45 1ujv s ILE 87 Ca 0.00 -2.16 -0.26 0.00 -0.99 0.00 0.00 60.65 57.24 1ujv s ILE 87 Cb -0.14 -2.65 -0.02 0.00 2.95 0.00 0.00 42.46 42.61 1ujv s ILE 87 CO -0.06 -0.23 0.84 -2.28 -1.79 0.00 0.00 174.94 171.42 1ujv s HIS 88 N -2.56 3.43 0.33 1.37 5.65 -0.47 -2.75 115.29 120.28 1ujv s HIS 88 Ca 0.33 1.28 -0.11 0.00 0.25 0.00 0.00 55.06 56.81 1ujv s HIS 88 Cb 0.01 -3.02 0.02 0.00 -1.18 0.00 0.00 32.58 28.40 1ujv s HIS 88 CO 0.17 -0.23 0.60 0.50 -0.65 0.00 0.00 174.74 175.13 1ujv s ARG 89 N 2.09 1.91 -0.40 2.88 6.06 -1.26 -4.47 118.95 125.76 1ujv s ARG 89 Ca 0.39 -1.45 -0.12 0.00 -2.50 0.00 0.00 55.73 52.05 1ujv s ARG 89 Cb -0.17 0.53 0.02 0.00 0.06 0.00 0.00 34.95 35.38 1ujv s ARG 89 CO 0.13 -0.84 0.45 0.41 -2.50 0.00 0.00 175.30 172.95 1ujv n GLY 90 N -0.50 -2.03 0.18 8.12 0.00 -1.26 -4.82 105.19 104.88 1ujv n GLY 90 Ca -0.03 1.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.93 1ujv n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ujv h SER 91 N 2.23 -0.30 -5.07 1.61 0.02 -1.99 -3.44 113.55 106.62 1ujv h SER 91 Ca 0.00 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1ujv h SER 91 Cb 0.75 0.08 -0.10 0.00 0.14 0.00 0.00 62.40 63.27 1ujv h SER 91 CO 0.17 0.10 0.07 -0.83 -1.14 0.00 0.00 176.83 175.20 1ujv s GLY 92 N -2.82 -0.19 -0.01 -3.77 0.00 -1.26 -5.05 107.32 94.22 1ujv s GLY 92 Ca -0.14 -0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 1ujv s GLY 92 CO 0.54 -0.18 1.10 2.56 0.00 0.00 0.00 173.10 177.12 1ujv s PRO 93 N -3.85 4.46 -0.30 2.90 0.04 -1.26 -5.00 135.00 131.98 1ujv s PRO 93 Ca 0.07 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 1ujv s PRO 93 Cb -0.01 -3.46 0.16 0.00 0.04 0.00 0.00 34.50 31.23 1ujv s PRO 93 CO -0.05 -0.23 0.87 -1.12 0.04 0.00 0.00 177.00 176.51 1ujv s SER 94 N 1.14 -0.79 -1.48 6.66 0.01 -1.26 -5.02 113.70 112.96 1ujv s SER 94 Ca 0.54 0.96 -0.04 0.00 1.31 0.00 0.00 55.95 58.73 1ujv s SER 94 Cb -0.24 1.85 0.03 0.00 0.21 0.00 0.00 66.02 67.87 1ujv s SER 94 CO 0.26 -0.15 0.43 -1.20 0.41 0.00 0.00 173.24 172.99 1ujv n SER 95 N 5.18 -0.69 0.00 2.44 7.64 -1.26 -5.23 113.62 121.70 1ujv n SER 95 Ca -0.09 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1ujv n SER 95 Cb 0.52 -2.80 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64