#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 0.00 -4.55 1.61 2.88 -1.26 -4.95 113.62 107.35 1ujv n SER 2 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1ujv n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ujv n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujv s SER 3 N -2.28 5.92 -0.56 -3.46 0.01 -1.26 -4.83 113.70 107.25 1ujv s SER 3 Ca 0.00 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 56.93 1ujv s SER 3 Cb 0.00 -2.55 0.35 0.00 0.21 0.00 0.00 66.02 64.03 1ujv s SER 3 CO 0.00 -1.98 0.96 0.61 0.41 0.00 0.00 173.24 173.24 1ujv n GLY 4 N 5.72 5.59 1.41 3.44 0.00 -1.26 -5.05 105.19 115.04 1ujv n GLY 4 Ca 0.13 -2.75 0.19 0.00 0.00 0.00 0.00 46.02 43.58 1ujv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujv n SER 5 N -0.26 -8.41 -0.36 1.61 7.64 -1.26 -5.10 113.62 107.48 1ujv n SER 5 Ca 0.32 0.80 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1ujv n SER 5 Cb 0.43 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 1ujv n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujv n SER 6 N -4.22 0.00 -0.49 6.43 2.88 -1.26 -5.11 113.62 111.85 1ujv n SER 6 Ca -0.02 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1ujv n SER 6 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1ujv n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujv n GLY 7 N 0.00 0.28 3.09 0.46 0.00 -1.26 -5.14 105.19 102.61 1ujv n GLY 7 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 1ujv n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujv s GLN 8 N -1.17 0.58 -0.17 1.61 -0.21 -1.26 -5.11 119.66 113.93 1ujv s GLN 8 Ca 0.00 -1.05 -0.32 0.00 0.02 0.00 0.00 55.36 54.01 1ujv s GLN 8 Cb 0.00 0.21 -0.09 0.00 1.00 0.00 0.00 33.01 34.13 1ujv s GLN 8 CO 0.00 -0.12 2.06 0.00 -2.12 0.00 0.00 175.29 175.11 1ujv n ALA 9 N 0.40 1.26 -1.17 6.09 0.00 -1.26 -4.83 120.51 121.00 1ujv n ALA 9 Ca -0.16 0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 1ujv n ALA 9 Cb 0.60 -2.65 -0.13 0.00 0.00 0.00 0.00 19.45 17.27 1ujv n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ujv n GLU 10 N 7.72 2.28 0.00 0.00 2.13 -1.26 -4.95 120.64 126.56 1ujv n GLU 10 Ca 0.29 -1.47 0.00 0.00 0.66 0.00 0.00 57.16 56.64 1ujv n GLU 10 Cb 0.34 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1ujv n GLU 10 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ujv n LEU 11 N 2.17 0.00 -4.67 4.31 4.77 -1.26 -4.57 117.00 117.74 1ujv n LEU 11 Ca 0.47 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 56.06 1ujv n LEU 11 Cb 0.77 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1ujv n LEU 11 CO 0.24 -0.63 0.32 -0.04 -1.33 0.00 0.00 177.39 175.95 1ujv s MET 12 N 0.00 4.25 -0.01 3.23 -1.94 -1.24 -5.00 119.30 118.59 1ujv s MET 12 Ca 0.00 0.58 -0.09 0.00 -1.71 0.00 0.00 55.69 54.48 1ujv s MET 12 Cb 0.00 -3.54 -0.05 0.00 2.01 0.00 0.00 34.83 33.25 1ujv s MET 12 CO 0.00 -0.14 0.29 0.99 -0.01 0.00 0.00 175.02 176.15 1ujv s THR 13 N 1.58 5.26 0.04 2.05 2.01 -1.26 -0.83 115.64 124.48 1ujv s THR 13 Ca 0.28 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.68 1ujv s THR 13 Cb -0.16 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1ujv s THR 13 CO 0.11 0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.58 1ujv s LEU 14 N -1.52 2.16 -0.14 4.42 1.43 0.17 -4.94 118.68 120.26 1ujv s LEU 14 Ca 0.25 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1ujv s LEU 14 Cb -0.14 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1ujv s LEU 14 CO 0.14 0.04 0.08 -0.89 0.23 0.00 0.00 176.35 175.94 1ujv s THR 15 N -0.82 4.94 -0.06 5.49 2.01 -1.26 -0.66 115.64 125.28 1ujv s THR 15 Ca 0.02 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1ujv s THR 15 Cb -0.08 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1ujv s THR 15 CO 0.01 0.54 0.15 0.27 -0.69 0.00 0.00 174.62 174.90 1ujv s ILE 16 N -0.32 -0.01 -0.10 1.82 -4.36 -0.22 -4.08 121.20 113.92 1ujv s ILE 16 Ca 0.09 0.04 -0.01 0.00 -0.26 0.00 0.00 60.65 60.52 1ujv s ILE 16 Cb -0.12 -0.22 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 1ujv s ILE 16 CO 0.02 0.02 -0.06 0.54 0.24 0.00 0.00 174.94 175.69 1ujv s VAL 17 N 0.34 3.70 -0.28 8.37 0.11 -1.15 -0.15 120.40 131.35 1ujv s VAL 17 Ca -0.02 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.28 1ujv s VAL 17 Cb -0.04 -2.55 0.01 0.00 -1.53 0.00 0.00 36.38 32.28 1ujv s VAL 17 CO -0.01 0.56 1.11 -0.75 -3.33 0.00 0.00 175.10 172.68 1ujv s LYS 18 N -0.35 4.12 0.81 1.54 2.20 -1.13 -4.70 119.74 122.23 1ujv s LYS 18 Ca 0.05 1.23 -0.11 0.00 -0.36 0.00 0.00 55.97 56.78 1ujv s LYS 18 Cb -0.12 -3.73 0.10 0.00 -1.51 0.00 0.00 37.83 32.57 1ujv s LYS 18 CO 0.02 -0.83 1.16 0.20 -0.36 0.00 0.00 175.35 175.54 1ujv s GLY 19 N 1.69 1.66 0.12 5.54 0.00 -1.26 -0.32 107.32 114.74 1ujv s GLY 19 Ca 0.47 -0.87 -0.34 0.00 0.00 0.00 0.00 44.72 43.98 1ujv s GLY 19 CO 0.14 -0.34 1.56 0.00 0.00 0.00 0.00 173.10 174.45 1ujv h ALA 20 N -1.05 -0.89 -0.08 3.20 0.00 -1.97 -0.45 119.26 118.02 1ujv h ALA 20 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ujv h ALA 20 Cb 1.30 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1ujv h ALA 20 CO 0.58 -1.09 0.00 1.04 0.00 0.00 0.00 179.25 179.78 1ujv n GLN 21 N -5.45 1.21 0.00 0.00 6.02 -1.26 -4.81 117.38 113.08 1ujv n GLN 21 Ca -0.07 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1ujv n GLN 21 Cb 0.39 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.54 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 0.58 0.55 3.65 1.08 0.00 -0.22 -5.05 105.19 105.78 1ujv n GLY 22 Ca 0.03 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -2.92 -0.04 1.61 3.01 -0.96 -4.74 117.46 113.42 1ujv n PHE 23 Ca 0.00 1.03 -0.02 0.00 1.01 0.00 0.00 57.45 59.47 1ujv n PHE 23 Cb 0.00 -1.80 -0.01 0.00 -0.01 0.00 0.00 39.48 37.67 1ujv n PHE 23 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ujv h GLY 24 N -0.77 0.00 -1.09 1.37 0.00 -1.87 -3.41 103.07 97.30 1ujv h GLY 24 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.92 1ujv h GLY 24 CO 0.01 0.00 -0.04 -0.11 0.00 0.00 0.00 176.54 176.40 1ujv s PHE 25 N -1.62 1.02 0.14 5.60 -0.71 -1.26 -4.58 117.98 116.56 1ujv s PHE 25 Ca -0.06 1.10 0.05 0.00 -1.04 0.00 0.00 56.93 56.98 1ujv s PHE 25 Cb 0.01 -3.04 -0.04 0.00 -1.21 0.00 0.00 43.02 38.74 1ujv s PHE 25 CO 0.09 -4.20 -0.11 0.95 -1.34 0.00 0.00 175.22 170.60 1ujv s THR 26 N -2.37 1.16 0.26 -4.49 -4.23 -0.46 -4.97 115.64 100.55 1ujv s THR 26 Ca 0.69 -1.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.35 1ujv s THR 26 Cb -0.25 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 1ujv s THR 26 CO 0.65 -0.66 -0.13 0.27 -0.54 0.00 0.00 174.62 174.21 1ujv s ILE 27 N -2.99 1.98 0.07 2.99 -4.36 -1.26 -0.93 121.20 116.70 1ujv s ILE 27 Ca 0.14 -2.24 -0.08 0.00 -0.26 0.00 0.00 60.65 58.21 1ujv s ILE 27 Cb 0.00 -2.31 -0.00 0.00 1.25 0.00 0.00 42.46 41.40 1ujv s ILE 27 CO 0.01 -0.41 0.17 0.00 0.24 0.00 0.00 174.94 174.95 1ujv s ALA 28 N -2.81 -0.20 -0.24 2.27 0.00 -0.79 -4.72 121.76 115.27 1ujv s ALA 28 Ca 0.28 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1ujv s ALA 28 Cb -0.00 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1ujv s ALA 28 CO 0.12 -0.44 1.56 0.34 0.00 0.00 0.00 175.76 177.33 1ujv s ASP 29 N -2.59 6.43 0.40 0.00 -1.08 -1.26 -2.75 116.67 115.82 1ujv s ASP 29 Ca 0.02 1.53 0.07 0.00 -0.52 0.00 0.00 52.55 53.64 1ujv s ASP 29 Cb 0.03 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.96 1ujv s ASP 29 CO -0.08 -1.23 0.56 -0.94 0.52 0.00 0.00 175.17 173.99 1ujv s SER 30 N 3.97 5.73 0.00 -0.34 1.04 -0.62 -4.95 113.70 118.54 1ujv s SER 30 Ca 0.68 -0.30 0.09 0.00 0.48 0.00 0.00 55.95 56.91 1ujv s SER 30 Cb -0.23 -0.88 0.42 0.00 0.10 0.00 0.00 66.02 65.43 1ujv s SER 30 CO 0.28 -0.68 1.27 -0.81 0.98 0.00 0.00 173.24 174.27 1ujv n PRO 31 N -1.83 0.04 0.00 4.02 -0.04 -1.26 -3.46 135.00 132.47 1ujv n PRO 31 Ca 0.05 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1ujv n PRO 31 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.44 0.00 -2.20 0.52 -2.24 -1.26 -5.12 114.28 102.53 1ujv n THR 32 Ca 0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1ujv n THR 32 Cb 0.10 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.24 -1.22 3.80 3.38 0.00 -1.22 -4.95 105.19 105.22 1ujv n GLY 33 Ca 0.00 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.94 4.36 0.08 1.61 -1.52 -1.26 -1.59 119.66 119.40 1ujv s GLN 34 Ca 0.00 0.98 0.03 0.00 -1.95 0.00 0.00 55.36 54.42 1ujv s GLN 34 Cb 0.00 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.79 1ujv s GLN 34 CO 0.00 0.43 -0.09 1.03 -0.25 0.00 0.00 175.29 176.41 1ujv s ARG 35 N -1.77 0.74 0.12 2.91 0.52 -1.11 -2.45 118.95 117.91 1ujv s ARG 35 Ca 0.42 -1.05 -0.31 0.00 -0.52 0.00 0.00 55.73 54.26 1ujv s ARG 35 Cb -0.18 -0.40 -0.10 0.00 0.52 0.00 0.00 34.95 34.79 1ujv s ARG 35 CO 0.22 0.06 1.74 0.08 0.02 0.00 0.00 175.30 177.42 1ujv s VAL 36 N -2.28 2.64 -0.12 3.52 1.01 -1.17 -1.89 120.40 122.11 1ujv s VAL 36 Ca 0.01 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 1ujv s VAL 36 Cb -0.04 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 1ujv s VAL 36 CO -0.01 0.00 0.20 0.50 0.00 0.00 0.00 175.10 175.79 1ujv h LYS 37 N 8.16 0.00 -2.26 2.72 3.64 -1.32 -2.51 116.57 125.00 1ujv h LYS 37 Ca -0.44 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 1ujv h LYS 37 Cb 1.21 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.84 1ujv h LYS 37 CO 0.94 0.29 0.07 -1.14 -2.27 0.00 0.00 179.45 177.34 1ujv s GLN 38 N -1.80 0.95 -0.07 1.90 0.74 -1.23 -4.81 119.66 115.33 1ujv s GLN 38 Ca -0.07 0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.56 1ujv s GLN 38 Cb -0.00 0.44 -0.00 0.00 1.10 0.00 0.00 33.01 34.55 1ujv s GLN 38 CO 0.22 -0.28 -0.21 0.42 -0.55 0.00 0.00 175.29 174.88 1ujv s ILE 39 N -1.15 1.79 0.11 -2.34 1.01 -1.26 -1.36 121.20 118.00 1ujv s ILE 39 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1ujv s ILE 39 Cb -0.01 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1ujv s ILE 39 CO 0.08 0.50 0.00 0.18 0.00 0.00 0.00 174.94 175.70 1ujv n LEU 40 N 3.31 0.72 -4.47 2.97 4.77 -1.26 -4.92 117.00 118.11 1ujv n LEU 40 Ca -0.19 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1ujv n LEU 40 Cb 0.52 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1ujv n LEU 40 CO 0.26 -0.65 1.15 -0.62 -1.33 0.00 0.00 177.39 176.20 1ujv s ASP 41 N -5.67 6.70 0.30 -1.43 2.15 -1.26 -4.90 116.67 112.56 1ujv s ASP 41 Ca 0.00 -2.15 -0.00 0.00 0.43 0.00 0.00 52.55 50.83 1ujv s ASP 41 Cb 0.00 -2.43 0.51 0.00 -0.30 0.00 0.00 42.92 40.70 1ujv s ASP 41 CO 0.00 -1.07 1.92 0.40 -0.17 0.00 0.00 175.17 176.26 1ujv h ILE 42 N 5.74 1.10 -0.12 4.11 2.04 -1.91 0.07 117.51 128.54 1ujv h ILE 42 Ca 0.20 -0.36 -0.18 0.00 1.00 0.00 0.00 64.86 65.51 1ujv h ILE 42 Cb 0.99 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1ujv h ILE 42 CO 1.18 0.19 -0.69 1.56 0.00 0.00 0.00 178.15 180.40 1ujv h GLN 43 N 1.05 0.51 -0.00 2.37 4.20 -2.00 -3.25 115.11 117.99 1ujv h GLN 43 Ca 0.37 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ujv h GLN 43 Cb 0.12 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ujv h GLN 43 CO -0.13 1.02 -0.20 0.41 -0.67 0.00 0.00 178.83 179.25 1ujv n GLY 44 N 0.50 -1.37 2.41 3.46 0.00 -0.63 -3.99 105.19 105.57 1ujv n GLY 44 Ca -0.05 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1ujv n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv s PRO 46 N -2.37 4.40 0.00 0.00 0.04 -1.23 -2.38 135.00 133.47 1ujv s PRO 46 Ca 0.41 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ujv s PRO 46 Cb 0.25 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1ujv s PRO 46 CO -0.09 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1ujv n GLY 47 N 3.19 0.96 3.77 0.56 0.00 -1.26 -4.61 105.19 107.79 1ujv n GLY 47 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 4.38 0.13 0.99 0.20 -1.00 -5.04 118.68 118.33 1ujv s LEU 48 Ca 0.00 2.59 0.09 0.00 0.69 0.00 0.00 54.13 57.50 1ujv s LEU 48 Cb 0.00 -3.74 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 1ujv s LEU 48 CO 0.00 -0.56 -0.22 0.00 -0.29 0.00 0.00 176.35 175.28 1ujv s GLU 50 N -2.16 4.13 0.00 0.00 2.02 -1.26 -3.28 118.70 118.14 1ujv s GLU 50 Ca 0.11 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1ujv s GLU 50 Cb -0.09 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1ujv s GLU 50 CO 0.05 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.61 1ujv n GLY 51 N -0.25 0.40 3.70 -1.39 0.00 -0.95 -4.93 105.19 101.78 1ujv n GLY 51 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.26 6.55 -0.11 1.61 1.01 -1.21 -4.62 116.67 117.64 1ujv s ASP 52 Ca 0.00 2.59 -0.30 0.00 0.71 0.00 0.00 52.55 55.56 1ujv s ASP 52 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1ujv s ASP 52 CO 0.00 -0.89 1.20 -0.22 0.21 0.00 0.00 175.17 175.47 1ujv s LEU 53 N 2.16 4.23 0.20 1.23 1.98 -1.26 -3.07 118.68 124.14 1ujv s LEU 53 Ca 0.74 1.73 -0.15 0.00 -2.89 0.00 0.00 54.13 53.56 1ujv s LEU 53 Cb -0.43 -3.55 -0.07 0.00 0.66 0.00 0.00 46.19 42.80 1ujv s LEU 53 CO 0.33 -0.65 0.61 -0.63 -1.89 0.00 0.00 176.35 174.12 1ujv s ILE 54 N 2.73 4.78 0.07 6.68 1.01 -1.02 -0.57 121.20 134.87 1ujv s ILE 54 Ca 0.54 0.89 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1ujv s ILE 54 Cb -0.23 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1ujv s ILE 54 CO 0.18 0.14 0.00 0.52 0.00 0.00 0.00 174.94 175.78 1ujv n VAL 55 N 0.50 0.22 -3.78 2.92 0.31 -0.24 -4.48 118.33 113.79 1ujv n VAL 55 Ca -0.03 0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1ujv n VAL 55 Cb 0.52 -1.01 -0.15 0.00 -0.91 0.00 0.00 33.84 32.29 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 0.02 -0.16 5.55 2.02 -1.16 -1.00 118.70 121.97 1ujv s GLU 56 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1ujv s GLU 56 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.05 1ujv s GLU 56 CO 0.00 -0.14 -0.16 0.42 0.02 0.00 0.00 175.26 175.40 1ujv s ILE 57 N 0.95 2.56 -1.55 -1.63 1.01 -0.42 -0.24 121.20 121.88 1ujv s ILE 57 Ca -0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1ujv s ILE 57 Cb -0.10 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.35 1ujv s ILE 57 CO -0.04 0.52 0.48 0.59 0.00 0.00 0.00 174.94 176.49 1ujv n ASN 58 N 4.18 -1.15 -2.46 3.58 3.02 -0.22 -0.98 115.26 121.24 1ujv n ASN 58 Ca -0.19 -1.06 -0.20 0.00 -0.03 0.00 0.00 54.58 53.09 1ujv n ASN 58 Cb 0.51 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 1ujv n ASN 58 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ujv n GLN 59 N -4.41 -2.60 -5.23 3.52 7.27 -1.26 -5.03 117.38 109.64 1ujv n GLN 59 Ca -0.17 0.93 -0.32 0.00 0.07 0.00 0.00 57.00 57.51 1ujv n GLN 59 Cb 0.62 -5.59 -0.17 0.00 2.41 0.00 0.00 30.24 27.51 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1ujv s GLN 60 N -5.20 2.83 -0.22 3.69 0.74 -0.15 -5.12 119.66 116.22 1ujv s GLN 60 Ca 0.09 -0.88 -0.26 0.00 0.05 0.00 0.00 55.36 54.36 1ujv s GLN 60 Cb -0.04 -2.23 -0.00 0.00 1.10 0.00 0.00 33.01 31.84 1ujv s GLN 60 CO 0.12 0.26 0.89 1.21 -0.55 0.00 0.00 175.29 177.21 1ujv s ASN 61 N 0.14 6.94 0.00 6.67 3.84 -1.26 -1.30 114.94 129.97 1ujv s ASN 61 Ca -0.13 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.11 1ujv s ASN 61 Cb -0.16 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 1ujv s ASN 61 CO 0.07 -0.54 0.80 1.33 -2.79 0.00 0.00 177.10 175.97 1ujv n VAL 62 N 5.17 0.63 -0.32 -5.21 0.24 -0.17 -4.82 118.33 113.85 1ujv n VAL 62 Ca 0.07 -0.77 0.18 0.00 -2.04 0.00 0.00 64.34 61.78 1ujv n VAL 62 Cb 0.47 0.71 0.42 0.00 -1.47 0.00 0.00 33.84 33.98 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 0.55 -0.13 7.34 4.20 -1.67 -2.51 115.11 122.89 1ujv h GLN 63 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ujv h GLN 63 Cb 0.40 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1ujv h GLN 63 CO 0.00 0.36 0.00 -1.71 -0.67 0.00 0.00 178.83 176.81 1ujv n ASN 64 N -4.69 2.20 -4.76 1.46 5.15 -1.26 -4.66 115.26 108.70 1ujv n ASN 64 Ca 0.24 -1.82 -0.39 0.00 -0.60 0.00 0.00 54.58 52.00 1ujv n ASN 64 Cb 0.71 -0.08 0.01 0.00 -0.53 0.00 0.00 39.78 39.89 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 -0.87 4.10 0.91 1.20 1.02 -0.95 -5.02 118.68 119.07 1ujv s LEU 65 Ca 0.10 2.82 -0.12 0.00 0.02 0.00 0.00 54.13 56.94 1ujv s LEU 65 Cb 0.05 -3.98 0.06 0.00 0.02 0.00 0.00 46.19 42.34 1ujv s LEU 65 CO 0.07 -1.15 0.66 -1.20 0.02 0.00 0.00 176.35 174.75 1ujv n SER 66 N -0.24 -1.17 -0.16 2.29 7.64 -1.26 -4.77 113.62 115.94 1ujv n SER 66 Ca 0.06 0.39 -0.03 0.00 1.01 0.00 0.00 58.87 60.30 1ujv n SER 66 Cb 0.43 -1.30 0.04 0.00 -1.01 0.00 0.00 64.21 62.37 1ujv n SER 66 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ujv h HIS 67 N -1.50 -0.21 -0.64 1.43 2.76 -1.95 -1.60 115.15 113.44 1ujv h HIS 67 Ca -0.44 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 57.85 1ujv h HIS 67 Cb 1.29 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 30.35 1ujv h HIS 67 CO 0.42 -0.19 0.31 1.15 -1.30 0.00 0.00 177.93 178.32 1ujv h THR 68 N 0.03 0.89 -0.76 6.26 2.02 -1.98 -0.65 112.91 118.71 1ujv h THR 68 Ca 0.24 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1ujv h THR 68 Cb 0.37 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1ujv h THR 68 CO -0.49 0.10 0.26 -0.33 0.37 0.00 0.00 175.52 175.43 1ujv h GLU 69 N 0.56 1.17 -0.04 6.66 4.39 -1.66 0.16 114.58 125.82 1ujv h GLU 69 Ca 0.30 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1ujv h GLU 69 Cb 0.27 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ujv h GLU 69 CO -0.23 0.98 -0.02 0.28 -1.16 0.00 0.00 179.01 178.86 1ujv h VAL 70 N 1.13 1.32 -0.88 3.13 2.07 -0.66 -2.67 116.25 119.68 1ujv h VAL 70 Ca 0.25 -0.99 0.09 0.00 0.82 0.00 0.00 66.70 66.86 1ujv h VAL 70 Cb 0.28 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1ujv h VAL 70 CO -0.01 0.27 0.57 0.58 0.02 0.00 0.00 177.57 179.00 1ujv h VAL 71 N -0.32 1.00 -0.25 2.57 2.07 -0.98 -1.65 116.25 118.69 1ujv h VAL 71 Ca 0.01 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1ujv h VAL 71 Cb 0.44 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1ujv h VAL 71 CO 0.00 0.17 0.02 -0.78 0.02 0.00 0.00 177.57 177.00 1ujv h ASP 72 N 0.92 0.42 -0.42 0.57 1.82 -0.81 -1.82 116.42 117.09 1ujv h ASP 72 Ca 0.40 -0.28 0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1ujv h ASP 72 Cb 0.34 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 1ujv h ASP 72 CO -0.16 0.60 0.25 0.40 -1.61 0.00 0.00 179.24 178.71 1ujv h ILE 73 N 0.22 1.05 0.00 2.25 2.04 -1.23 -0.95 117.51 120.90 1ujv h ILE 73 Ca 0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1ujv h ILE 73 Cb 0.37 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1ujv h ILE 73 CO 0.01 0.09 0.00 -0.07 0.00 0.00 0.00 178.15 178.18 1ujv h LEU 74 N 0.51 0.00 0.07 1.44 3.38 -0.85 -0.59 115.31 119.27 1ujv h LEU 74 Ca 0.16 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.84 1ujv h LEU 74 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ujv h LEU 74 CO -0.07 0.00 -1.56 0.11 0.09 0.00 0.00 178.44 177.01 1ujv h LYS 75 N 0.00 0.14 -0.82 1.13 1.57 -0.36 -3.26 116.57 114.96 1ujv h LYS 75 Ca 0.00 -0.24 0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1ujv h LYS 75 Cb 0.05 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 1ujv h LYS 75 CO 0.00 0.92 0.45 0.22 -0.57 0.00 0.00 179.45 180.47 1ujv h ASP 76 N 0.04 0.61 -2.35 0.86 1.82 -0.47 -3.45 116.42 113.48 1ujv h ASP 76 Ca -0.24 0.06 -0.61 0.00 -0.39 0.00 0.00 57.03 55.85 1ujv h ASP 76 Cb 1.98 -0.05 0.09 0.00 0.68 0.00 0.00 39.33 42.03 1ujv h ASP 76 CO 0.12 0.32 0.39 0.00 -1.61 0.00 0.00 179.24 178.46 1ujv s PRO 78 N -0.61 3.57 -0.23 0.00 0.04 -1.26 -4.94 135.00 131.56 1ujv s PRO 78 Ca 0.69 1.65 -0.37 0.00 0.04 0.00 0.00 61.00 63.01 1ujv s PRO 78 Cb -0.74 -4.14 -0.13 0.00 0.04 0.00 0.00 34.50 29.53 1ujv s PRO 78 CO 0.53 -1.58 1.90 -0.89 0.04 0.00 0.00 177.00 177.00 1ujv n ILE 79 N 6.91 0.39 -0.18 0.56 2.08 -1.26 -1.47 119.36 126.39 1ujv n ILE 79 Ca 0.22 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1ujv n ILE 79 Cb 0.46 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 1ujv n ILE 79 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ujv n GLY 80 N 4.81 0.87 3.16 7.39 0.00 0.57 -4.99 105.19 117.01 1ujv n GLY 80 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 1ujv n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujv s SER 81 N -2.12 1.54 0.59 1.61 0.15 -0.54 -4.89 113.70 110.04 1ujv s SER 81 Ca 0.00 -0.67 -0.17 0.00 0.70 0.00 0.00 55.95 55.81 1ujv s SER 81 Cb 0.00 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1ujv s SER 81 CO 0.00 -0.15 1.08 -1.61 1.20 0.00 0.00 173.24 173.77 1ujv s GLU 82 N -2.06 3.25 0.02 5.44 8.01 -1.26 -2.86 118.70 129.24 1ujv s GLU 82 Ca -0.00 1.34 0.04 0.00 0.01 0.00 0.00 54.97 56.36 1ujv s GLU 82 Cb -0.08 -2.01 -0.02 0.00 -4.31 0.00 0.00 34.13 27.71 1ujv s GLU 82 CO 0.02 -0.89 -0.12 0.99 0.01 0.00 0.00 175.26 175.27 1ujv s THR 83 N -2.25 0.96 -0.27 3.63 2.01 0.79 -4.92 115.64 115.60 1ujv s THR 83 Ca 0.66 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 1ujv s THR 83 Cb -0.19 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1ujv s THR 83 CO 0.34 0.06 0.05 -0.44 -0.69 0.00 0.00 174.62 173.94 1ujv s SER 84 N -0.82 4.93 -0.24 3.53 0.01 -1.26 -1.06 113.70 118.79 1ujv s SER 84 Ca 0.02 -0.58 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 1ujv s SER 84 Cb -0.07 -1.85 0.03 0.00 0.21 0.00 0.00 66.02 64.34 1ujv s SER 84 CO 0.01 -0.13 -0.09 -0.76 0.41 0.00 0.00 173.24 172.67 1ujv s LEU 85 N 1.50 3.02 0.12 2.44 1.02 0.17 -1.06 118.68 125.89 1ujv s LEU 85 Ca 0.04 -0.88 -0.30 0.00 0.02 0.00 0.00 54.13 53.01 1ujv s LEU 85 Cb -0.16 -1.62 -0.06 0.00 0.02 0.00 0.00 46.19 44.37 1ujv s LEU 85 CO 0.01 -0.11 1.02 -0.63 0.02 0.00 0.00 176.35 176.66 1ujv s ILE 86 N 1.30 4.31 0.10 -0.59 1.01 0.67 -0.66 121.20 127.33 1ujv s ILE 86 Ca 0.00 1.90 0.06 0.00 0.00 0.00 0.00 60.65 62.61 1ujv s ILE 86 Cb -0.16 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1ujv s ILE 86 CO -0.06 0.29 -0.15 0.27 0.00 0.00 0.00 174.94 175.29 1ujv s ILE 87 N 0.04 1.29 -1.33 2.92 -5.25 -0.01 -1.08 121.20 117.78 1ujv s ILE 87 Ca 0.49 -1.56 -0.09 0.00 -0.99 0.00 0.00 60.65 58.49 1ujv s ILE 87 Cb -0.25 -1.38 0.13 0.00 2.95 0.00 0.00 42.46 43.91 1ujv s ILE 87 CO 0.31 -0.32 2.07 1.57 -1.79 0.00 0.00 174.94 176.78 1ujv n HIS 88 N 0.84 2.90 0.09 1.37 -0.00 0.26 -3.66 115.22 117.03 1ujv n HIS 88 Ca -0.18 -2.83 -0.13 0.00 -0.00 0.00 0.00 57.72 54.58 1ujv n HIS 88 Cb 0.56 -2.02 -0.08 0.00 -0.00 0.00 0.00 29.99 28.45 1ujv n HIS 88 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1ujv h ARG 89 N 5.52 -0.16 0.00 1.57 1.12 -1.90 -3.44 114.38 117.10 1ujv h ARG 89 Ca 0.50 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.38 1ujv h ARG 89 Cb 0.55 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 1ujv h ARG 89 CO 1.64 -0.05 0.00 0.41 -3.11 0.00 0.00 179.97 178.86 1ujv n GLY 90 N -1.01 1.75 3.13 2.80 0.00 -1.26 -4.80 105.19 105.80 1ujv n GLY 90 Ca -0.08 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1ujv n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujv s SER 91 N -4.00 0.24 0.00 1.61 0.15 -1.26 -5.01 113.70 105.42 1ujv s SER 91 Ca 0.00 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1ujv s SER 91 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1ujv s SER 91 CO 0.00 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1ujv n GLY 92 N 0.45 1.10 3.80 9.45 0.00 -1.26 -5.14 105.19 113.58 1ujv n GLY 92 Ca -0.17 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1ujv n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujv s PRO 93 N -2.00 4.37 0.00 1.61 0.04 -1.26 -4.99 135.00 132.77 1ujv s PRO 93 Ca 0.00 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1ujv s PRO 93 Cb 0.00 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1ujv s PRO 93 CO 0.00 0.37 0.00 0.43 0.04 0.00 0.00 177.00 177.84 1ujv n SER 94 N 0.74 4.01 -3.91 6.66 7.64 -1.26 -4.98 113.62 122.53 1ujv n SER 94 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 1ujv n SER 94 Cb 0.51 0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 64.34 1ujv n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujv s SER 95 N -1.75 0.08 0.00 6.43 0.15 -1.26 -5.36 113.70 112.00 1ujv s SER 95 Ca 0.00 -0.25 0.13 0.00 0.70 0.00 0.00 55.95 56.53 1ujv s SER 95 Cb 0.00 0.17 0.78 0.00 -1.71 0.00 0.00 66.02 65.26 1ujv s SER 95 CO 0.00 -0.29 1.21 0.61 1.20 0.00 0.00 173.24 175.96