#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujv s SER 2 N 0.00 -0.24 0.33 1.61 0.01 -1.26 -5.12 113.70 109.04 1ujv s SER 2 Ca 0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1ujv s SER 2 Cb 0.00 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1ujv s SER 2 CO 0.00 -0.19 0.00 -1.54 0.41 0.00 0.00 173.24 171.92 1ujv n SER 3 N 4.56 -6.63 -0.31 2.44 3.41 -1.26 -5.05 113.62 110.77 1ujv n SER 3 Ca -0.20 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.10 1ujv n SER 3 Cb 0.53 -3.78 -0.01 0.00 -0.26 0.00 0.00 64.21 60.69 1ujv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujv n GLY 4 N -3.62 -2.00 0.07 5.00 0.00 -1.26 -4.68 105.19 98.71 1ujv n GLY 4 Ca -0.02 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 1ujv n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ujv h SER 5 N -0.18 0.00 -5.38 1.61 0.02 -2.04 -3.50 113.55 104.08 1ujv h SER 5 Ca 0.00 -0.81 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 1ujv h SER 5 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1ujv h SER 5 CO 0.00 1.04 -0.83 -0.24 -1.14 0.00 0.00 176.83 175.67 1ujv n SER 6 N -4.59 -7.75 -4.64 3.07 2.88 -1.26 -4.92 113.62 96.40 1ujv n SER 6 Ca -0.13 0.93 -0.43 0.00 -1.33 0.00 0.00 58.87 57.91 1ujv n SER 6 Cb 0.47 -4.85 -0.02 0.00 -0.75 0.00 0.00 64.21 59.07 1ujv n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujv s GLY 7 N -1.94 1.55 0.28 0.46 0.00 -1.26 -4.89 107.32 101.53 1ujv s GLY 7 Ca 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.89 1ujv s GLY 7 CO 0.72 2.35 0.33 1.20 0.00 0.00 0.00 173.10 177.70 1ujv s GLN 8 N 3.67 1.60 0.14 2.90 -0.21 -1.26 -5.16 119.66 121.35 1ujv s GLN 8 Ca 0.48 -1.69 -0.30 0.00 0.02 0.00 0.00 55.36 53.87 1ujv s GLN 8 Cb -0.14 0.37 -0.06 0.00 1.00 0.00 0.00 33.01 34.17 1ujv s GLN 8 CO 0.15 -0.62 0.97 0.00 -2.12 0.00 0.00 175.29 173.68 1ujv s ALA 9 N -3.63 3.27 0.01 6.09 0.00 -1.26 -5.06 121.76 121.18 1ujv s ALA 9 Ca 0.34 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1ujv s ALA 9 Cb 0.02 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1ujv s ALA 9 CO 0.17 -0.01 -0.01 -1.21 0.00 0.00 0.00 175.76 174.71 1ujv s GLU 10 N -0.21 0.24 1.39 0.00 2.02 -1.26 -5.12 118.70 115.77 1ujv s GLU 10 Ca 0.46 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1ujv s GLU 10 Cb -0.24 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1ujv s GLU 10 CO 0.31 -0.04 0.00 1.28 0.02 0.00 0.00 175.26 176.82 1ujv n LEU 11 N 1.99 0.00 -3.91 1.80 4.32 -1.24 -4.86 117.00 115.09 1ujv n LEU 11 Ca -0.21 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.68 1ujv n LEU 11 Cb 0.56 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.25 1ujv n LEU 11 CO 0.22 -0.27 -0.27 -0.04 -1.22 0.00 0.00 177.39 175.80 1ujv s MET 12 N 0.00 0.34 -0.07 3.23 -1.94 0.03 -4.39 119.30 116.50 1ujv s MET 12 Ca 0.00 -0.40 -0.06 0.00 -1.71 0.00 0.00 55.69 53.52 1ujv s MET 12 Cb 0.00 0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.93 1ujv s MET 12 CO 0.00 -0.07 0.17 0.99 -0.01 0.00 0.00 175.02 176.10 1ujv s THR 13 N -1.16 5.46 0.08 2.05 2.01 -1.26 -0.47 115.64 122.36 1ujv s THR 13 Ca -0.13 0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1ujv s THR 13 Cb -0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1ujv s THR 13 CO 0.00 0.50 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.64 1ujv s LEU 14 N -1.40 2.41 0.03 4.42 1.43 -0.13 -4.98 118.68 120.46 1ujv s LEU 14 Ca 0.20 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1ujv s LEU 14 Cb -0.12 0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 1ujv s LEU 14 CO 0.10 -0.56 -0.13 -0.89 0.23 0.00 0.00 176.35 175.10 1ujv s THR 15 N -3.80 1.02 0.04 5.49 2.01 -1.26 -1.10 115.64 118.02 1ujv s THR 15 Ca 0.12 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1ujv s THR 15 Cb 0.07 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1ujv s THR 15 CO -0.06 0.03 -0.04 0.27 -0.69 0.00 0.00 174.62 174.12 1ujv s ILE 16 N -0.76 0.28 -0.36 1.82 -4.36 -0.27 -4.72 121.20 112.84 1ujv s ILE 16 Ca 0.01 -1.16 0.03 0.00 -0.26 0.00 0.00 60.65 59.26 1ujv s ILE 16 Cb -0.07 -0.64 0.11 0.00 1.25 0.00 0.00 42.46 43.10 1ujv s ILE 16 CO 0.01 -0.57 0.10 -0.69 0.24 0.00 0.00 174.94 174.02 1ujv s VAL 17 N -1.97 1.87 -0.44 8.37 1.01 -1.26 -0.41 120.40 127.57 1ujv s VAL 17 Ca -0.09 -2.20 -0.42 0.00 0.00 0.00 0.00 61.98 59.27 1ujv s VAL 17 Cb -0.06 -2.37 -0.17 0.00 0.00 0.00 0.00 36.38 33.78 1ujv s VAL 17 CO -0.02 -0.66 2.04 1.17 0.00 0.00 0.00 175.10 177.62 1ujv n LYS 18 N 4.25 0.39 0.06 2.72 4.81 -1.25 -4.81 118.16 124.32 1ujv n LYS 18 Ca 0.03 0.12 -0.03 0.00 -0.87 0.00 0.00 58.31 57.56 1ujv n LYS 18 Cb 0.41 -1.80 -0.01 0.00 0.02 0.00 0.00 35.03 33.64 1ujv n LYS 18 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ujv h GLY 19 N 9.12 -0.17 -4.46 3.14 0.00 -1.95 -2.11 103.07 106.63 1ujv h GLY 19 Ca -0.23 0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.28 1ujv h GLY 19 CO 1.04 -0.06 0.63 0.00 0.00 0.00 0.00 176.54 178.15 1ujv s ALA 20 N -3.30 -1.97 -1.29 3.60 0.00 -1.26 -4.65 121.76 112.89 1ujv s ALA 20 Ca -0.02 1.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.29 1ujv s ALA 20 Cb 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1ujv s ALA 20 CO 0.07 -0.32 0.53 1.04 0.00 0.00 0.00 175.76 177.08 1ujv n GLN 21 N 0.62 -0.50 0.00 0.00 1.13 -1.26 -4.39 117.38 112.98 1ujv n GLN 21 Ca -0.08 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1ujv n GLN 21 Cb 0.58 -2.86 0.00 0.00 0.11 0.00 0.00 30.24 28.07 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ujv n GLY 22 N -2.19 0.35 3.66 1.08 0.00 -1.26 -4.89 105.19 101.93 1ujv n GLY 22 Ca -0.16 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 1ujv n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujv s PHE 23 N 0.00 2.73 -0.08 1.61 0.40 -1.26 -3.33 117.98 118.05 1ujv s PHE 23 Ca 0.00 -0.22 -0.24 0.00 -0.60 0.00 0.00 56.93 55.88 1ujv s PHE 23 Cb 0.00 -1.22 -0.30 0.00 0.51 0.00 0.00 43.02 42.01 1ujv s PHE 23 CO 0.00 0.61 0.84 0.78 0.70 0.00 0.00 175.22 178.15 1ujv h GLY 24 N 1.85 0.25 -1.17 4.36 0.00 -1.90 -3.46 103.07 102.99 1ujv h GLY 24 Ca -0.44 -0.63 -0.43 0.00 0.00 0.00 0.00 47.33 45.83 1ujv h GLY 24 CO 0.60 0.55 -0.22 1.97 0.00 0.00 0.00 176.54 179.44 1ujv n PHE 25 N -4.25 -1.53 -4.22 5.60 1.16 -1.26 -4.54 117.46 108.42 1ujv n PHE 25 Ca -0.13 -0.17 -0.13 0.00 -1.87 0.00 0.00 57.45 55.14 1ujv n PHE 25 Cb 0.73 -1.64 -0.10 0.00 -1.61 0.00 0.00 39.48 36.86 1ujv n PHE 25 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ujv s THR 26 N -2.35 1.03 0.00 1.97 -4.23 -0.61 -4.99 115.64 106.46 1ujv s THR 26 Ca 0.67 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 1ujv s THR 26 Cb -0.23 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1ujv s THR 26 CO 0.66 -0.74 -0.24 0.27 -0.54 0.00 0.00 174.62 174.03 1ujv s ILE 27 N -3.21 2.30 -0.16 2.99 -4.36 -1.26 -0.89 121.20 116.60 1ujv s ILE 27 Ca 0.13 -1.15 -0.10 0.00 -0.26 0.00 0.00 60.65 59.28 1ujv s ILE 27 Cb 0.02 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 1ujv s ILE 27 CO -0.01 0.49 0.17 0.00 0.24 0.00 0.00 174.94 175.84 1ujv s ALA 28 N -0.72 3.73 0.34 2.27 0.00 0.95 -4.61 121.76 123.73 1ujv s ALA 28 Ca 0.11 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.19 1ujv s ALA 28 Cb -0.10 -2.16 -0.09 0.00 0.00 0.00 0.00 23.12 20.77 1ujv s ALA 28 CO 0.01 0.30 1.16 0.34 0.00 0.00 0.00 175.76 177.57 1ujv s ASP 29 N -0.12 6.87 0.31 0.00 -1.08 -1.26 -0.64 116.67 120.76 1ujv s ASP 29 Ca 0.12 2.37 0.03 0.00 -0.52 0.00 0.00 52.55 54.55 1ujv s ASP 29 Cb -0.12 -2.62 -0.06 0.00 -1.46 0.00 0.00 42.92 38.66 1ujv s ASP 29 CO 0.02 -0.43 0.06 -0.94 0.52 0.00 0.00 175.17 174.39 1ujv s SER 30 N -0.94 2.22 0.00 -0.34 1.04 -0.11 -4.90 113.70 110.68 1ujv s SER 30 Ca 0.51 -1.37 0.07 0.00 0.48 0.00 0.00 55.95 55.64 1ujv s SER 30 Cb -0.32 -0.05 0.43 0.00 0.10 0.00 0.00 66.02 66.17 1ujv s SER 30 CO 0.42 -0.62 0.84 -0.81 0.98 0.00 0.00 173.24 174.05 1ujv n PRO 31 N -0.65 0.38 0.00 4.02 -0.04 -1.26 -3.37 135.00 134.08 1ujv n PRO 31 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1ujv n PRO 31 Cb 0.66 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.79 0.00 -3.24 0.52 -2.24 -1.26 -5.15 114.28 102.12 1ujv n THR 32 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1ujv n THR 32 Cb 0.02 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 1.43 -0.99 3.76 3.38 0.00 -1.22 -4.88 105.19 106.67 1ujv n GLY 33 Ca 0.00 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.47 4.58 0.22 1.61 -1.52 -1.26 -0.93 119.66 121.88 1ujv s GLN 34 Ca 0.00 1.18 0.06 0.00 -1.95 0.00 0.00 55.36 54.65 1ujv s GLN 34 Cb 0.00 -3.30 -0.05 0.00 -0.22 0.00 0.00 33.01 29.44 1ujv s GLN 34 CO 0.00 0.45 -0.08 1.03 -0.25 0.00 0.00 175.29 176.45 1ujv s ARG 35 N -0.73 1.35 -0.13 2.91 0.52 0.19 -0.63 118.95 122.42 1ujv s ARG 35 Ca 0.38 -1.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.65 1ujv s ARG 35 Cb -0.23 -0.92 -0.01 0.00 0.52 0.00 0.00 34.95 34.31 1ujv s ARG 35 CO 0.26 0.05 1.11 0.08 0.02 0.00 0.00 175.30 176.82 1ujv s VAL 36 N -3.16 4.53 0.00 3.52 1.01 -1.12 -0.03 120.40 125.15 1ujv s VAL 36 Ca 0.25 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.06 1ujv s VAL 36 Cb 0.03 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1ujv s VAL 36 CO 0.08 -0.06 0.23 1.17 0.00 0.00 0.00 175.10 176.51 1ujv n LYS 37 N 5.59 0.00 -3.78 2.72 3.00 -0.07 -1.39 118.16 124.23 1ujv n LYS 37 Ca 0.11 0.47 -0.10 0.00 -0.00 0.00 0.00 58.31 58.79 1ujv n LYS 37 Cb 0.47 -1.09 -0.07 0.00 0.00 0.00 0.00 35.03 34.34 1ujv n LYS 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1ujv s GLN 38 N -1.39 0.87 -0.19 1.64 0.74 -1.22 -4.74 119.66 115.37 1ujv s GLN 38 Ca 0.00 -0.77 -0.00 0.00 0.05 0.00 0.00 55.36 54.63 1ujv s GLN 38 Cb 0.00 0.37 0.01 0.00 1.10 0.00 0.00 33.01 34.49 1ujv s GLN 38 CO 0.00 -0.29 -0.15 0.42 -0.55 0.00 0.00 175.29 174.71 1ujv s ILE 39 N -3.45 2.47 -0.19 -2.34 1.01 -1.26 -1.58 121.20 115.86 1ujv s ILE 39 Ca 0.01 -0.80 0.16 0.00 0.00 0.00 0.00 60.65 60.02 1ujv s ILE 39 Cb 0.02 -2.07 -0.23 0.00 0.01 0.00 0.00 42.46 40.20 1ujv s ILE 39 CO -0.09 0.51 0.43 0.18 0.00 0.00 0.00 174.94 175.96 1ujv n LEU 40 N 4.60 0.17 -3.35 2.97 4.77 -1.26 -4.87 117.00 120.03 1ujv n LEU 40 Ca -0.20 -0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 55.42 1ujv n LEU 40 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1ujv n LEU 40 CO 0.27 0.04 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.48 1ujv s ASP 41 N -3.54 1.46 0.28 -1.43 2.15 -1.26 -5.00 116.67 109.33 1ujv s ASP 41 Ca -0.03 -2.67 -0.01 0.00 0.43 0.00 0.00 52.55 50.27 1ujv s ASP 41 Cb 0.11 -0.16 0.40 0.00 -0.30 0.00 0.00 42.92 42.97 1ujv s ASP 41 CO 0.67 -0.19 1.80 0.40 -0.17 0.00 0.00 175.17 177.67 1ujv h ILE 42 N 4.77 1.23 0.00 4.11 2.04 -1.89 -0.79 117.51 126.97 1ujv h ILE 42 Ca 0.19 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1ujv h ILE 42 Cb 0.95 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1ujv h ILE 42 CO 0.31 0.33 -0.26 1.56 0.00 0.00 0.00 178.15 180.08 1ujv h GLN 43 N 0.72 0.00 0.00 2.37 4.20 -2.00 -2.47 115.11 117.93 1ujv h GLN 43 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1ujv h GLN 43 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1ujv h GLN 43 CO 0.01 0.26 0.00 0.41 -0.67 0.00 0.00 178.83 178.84 1ujv n GLY 44 N -0.26 -1.16 2.55 3.46 0.00 -0.32 -4.21 105.19 105.25 1ujv n GLY 44 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.16 4.42 0.00 0.00 0.04 -1.10 -2.76 135.00 135.45 1ujv s PRO 46 Ca 0.32 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1ujv s PRO 46 Cb 0.24 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1ujv s PRO 46 CO -0.16 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1ujv n GLY 47 N 3.21 1.93 3.77 0.56 0.00 -1.26 -4.84 105.19 108.55 1ujv n GLY 47 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 4.42 0.13 0.99 2.96 -1.11 -5.08 118.68 120.99 1ujv s LEU 48 Ca 0.00 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 1ujv s LEU 48 Cb 0.00 -3.87 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 1ujv s LEU 48 CO 0.00 -0.12 -0.10 0.00 -1.32 0.00 0.00 176.35 174.81 1ujv s GLU 50 N -3.63 3.74 0.00 0.00 2.02 -1.26 -2.55 118.70 117.02 1ujv s GLU 50 Ca 0.15 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.23 1ujv s GLU 50 Cb 0.02 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1ujv s GLU 50 CO -0.00 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1ujv n GLY 51 N 0.62 1.18 3.58 -1.39 0.00 -0.49 -4.88 105.19 103.82 1ujv n GLY 51 Ca 0.06 0.00 -0.41 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 -3.09 5.31 0.02 1.61 1.01 -1.06 -4.30 116.67 116.16 1ujv s ASP 52 Ca 0.00 1.33 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 1ujv s ASP 52 Cb 0.00 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1ujv s ASP 52 CO 0.00 -2.16 1.38 -0.22 0.21 0.00 0.00 175.17 174.38 1ujv s LEU 53 N 8.94 4.32 0.33 1.23 2.96 -1.26 -2.79 118.68 132.41 1ujv s LEU 53 Ca 0.90 2.12 -0.26 0.00 -0.22 0.00 0.00 54.13 56.67 1ujv s LEU 53 Cb -0.24 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.79 1ujv s LEU 53 CO 0.31 -0.69 0.95 -0.63 -1.32 0.00 0.00 176.35 174.97 1ujv s ILE 54 N 2.16 4.17 0.00 6.68 1.01 0.20 -0.52 121.20 134.89 1ujv s ILE 54 Ca 0.63 1.78 0.00 0.00 0.00 0.00 0.00 60.65 63.06 1ujv s ILE 54 Cb -0.32 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1ujv s ILE 54 CO 0.27 0.12 0.00 0.52 0.00 0.00 0.00 174.94 175.85 1ujv n VAL 55 N 0.49 0.00 -4.10 2.92 0.31 -0.26 -4.53 118.33 113.16 1ujv n VAL 55 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1ujv n VAL 55 Cb 0.50 -0.71 -0.11 0.00 -0.91 0.00 0.00 33.84 32.61 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 -1.88 0.63 0.00 5.55 2.02 -1.13 -0.51 118.70 123.37 1ujv s GLU 56 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1ujv s GLU 56 Cb 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.99 1ujv s GLU 56 CO 0.00 0.02 0.00 -0.89 0.02 0.00 0.00 175.26 174.41 1ujv n ILE 57 N 0.93 0.00 -1.14 -1.63 5.41 -0.47 -0.58 119.36 121.89 1ujv n ILE 57 Ca -0.19 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.40 1ujv n ILE 57 Cb 0.57 -0.30 -0.08 0.00 -0.71 0.00 0.00 39.64 39.12 1ujv n ILE 57 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ujv n ASN 58 N 0.00 0.24 -3.66 4.38 3.02 -0.37 -3.85 115.26 115.03 1ujv n ASN 58 Ca 0.00 -2.02 -0.27 0.00 -0.03 0.00 0.00 54.58 52.26 1ujv n ASN 58 Cb 0.00 -1.00 0.04 0.00 -0.61 0.00 0.00 39.78 38.21 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 6.76 -6.00 -4.31 3.52 6.02 -1.26 -4.99 117.38 117.13 1ujv n GLN 59 Ca 0.29 0.70 -0.26 0.00 -0.01 0.00 0.00 57.00 57.71 1ujv n GLN 59 Cb 0.44 -5.62 -0.17 0.00 1.02 0.00 0.00 30.24 25.91 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 -6.37 1.68 -0.36 -1.09 0.74 -1.25 -5.12 119.66 107.89 1ujv s GLN 60 Ca 0.58 -0.37 -0.25 0.00 0.05 0.00 0.00 55.36 55.37 1ujv s GLN 60 Cb -0.28 -1.51 0.01 0.00 1.10 0.00 0.00 33.01 32.33 1ujv s GLN 60 CO 0.71 -0.09 0.87 1.21 -0.55 0.00 0.00 175.29 177.43 1ujv s ASN 61 N 1.09 6.64 0.00 6.67 3.04 -1.26 -1.36 114.94 129.75 1ujv s ASN 61 Ca -0.06 0.53 0.03 0.00 0.04 0.00 0.00 52.86 53.40 1ujv s ASN 61 Cb -0.14 -2.44 0.06 0.00 -1.54 0.00 0.00 41.25 37.19 1ujv s ASN 61 CO -0.01 -0.79 0.91 1.33 -3.04 0.00 0.00 177.10 175.50 1ujv n VAL 62 N 5.85 0.66 0.33 -5.21 0.24 0.33 -4.70 118.33 115.84 1ujv n VAL 62 Ca 0.05 -0.83 0.15 0.00 -2.04 0.00 0.00 64.34 61.68 1ujv n VAL 62 Cb 0.48 0.69 0.82 0.00 -1.47 0.00 0.00 33.84 34.36 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 0.57 0.00 0.00 7.34 4.20 -1.78 -0.83 115.11 124.61 1ujv h GLN 63 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ujv h GLN 63 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1ujv h GLN 63 CO 0.00 0.00 -0.26 -1.71 -0.67 0.00 0.00 178.83 176.19 1ujv n ASN 64 N -2.87 0.28 -4.77 1.46 4.05 -1.26 -4.69 115.26 107.46 1ujv n ASN 64 Ca -0.02 -0.62 -0.37 0.00 0.45 0.00 0.00 54.58 54.02 1ujv n ASN 64 Cb 0.37 1.00 0.00 0.00 1.23 0.00 0.00 39.78 42.39 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1ujv s LEU 65 N -2.26 3.93 0.80 1.20 1.43 -0.32 -5.01 118.68 118.44 1ujv s LEU 65 Ca 0.02 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 1ujv s LEU 65 Cb 0.04 -4.32 0.07 0.00 0.03 0.00 0.00 46.19 42.01 1ujv s LEU 65 CO 0.22 -1.10 1.10 -0.44 0.23 0.00 0.00 176.35 176.35 1ujv s SER 66 N -1.38 4.46 0.15 2.29 0.01 -1.26 -4.82 113.70 113.16 1ujv s SER 66 Ca 0.67 1.32 -0.27 0.00 1.31 0.00 0.00 55.95 58.98 1ujv s SER 66 Cb -0.30 -2.05 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 1ujv s SER 66 CO 0.35 -1.99 1.58 -0.74 0.41 0.00 0.00 173.24 172.86 1ujv h HIS 67 N -1.10 -1.15 0.00 2.43 2.76 -1.95 -1.46 115.15 114.68 1ujv h HIS 67 Ca -0.47 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 57.75 1ujv h HIS 67 Cb 1.27 0.55 -0.00 0.00 1.55 0.00 0.00 27.41 30.78 1ujv h HIS 67 CO 0.47 -0.43 -0.04 1.15 -1.30 0.00 0.00 177.93 177.77 1ujv h THR 68 N -0.35 0.90 0.02 6.26 2.02 -1.98 -0.74 112.91 119.04 1ujv h THR 68 Ca 0.13 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1ujv h THR 68 Cb 0.58 1.07 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1ujv h THR 68 CO -0.52 0.04 -0.46 -0.33 0.37 0.00 0.00 175.52 174.62 1ujv h GLU 69 N 0.00 0.27 -0.86 6.66 4.39 -1.72 -0.58 114.58 122.74 1ujv h GLU 69 Ca -0.00 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1ujv h GLU 69 Cb 0.07 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1ujv h GLU 69 CO 0.00 1.04 0.56 0.28 -1.16 0.00 0.00 179.01 179.74 1ujv h VAL 70 N -0.36 1.17 -0.52 3.13 2.07 -0.67 -0.67 116.25 120.40 1ujv h VAL 70 Ca -0.06 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1ujv h VAL 70 Cb 1.22 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1ujv h VAL 70 CO 0.09 0.20 0.16 0.58 0.02 0.00 0.00 177.57 178.62 1ujv h VAL 71 N 1.12 1.23 -0.93 2.57 2.07 -1.19 -2.06 116.25 119.06 1ujv h VAL 71 Ca 0.33 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1ujv h VAL 71 Cb -0.05 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1ujv h VAL 71 CO -0.10 0.29 0.62 -0.78 0.02 0.00 0.00 177.57 177.63 1ujv h ASP 72 N 0.72 1.07 0.10 0.57 3.58 0.08 0.29 116.42 122.83 1ujv h ASP 72 Ca 0.17 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 1ujv h ASP 72 Cb 0.29 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1ujv h ASP 72 CO -0.00 0.77 -0.05 0.40 -2.88 0.00 0.00 179.24 177.48 1ujv h ILE 73 N 1.26 1.07 0.00 2.25 2.04 -1.12 -2.22 117.51 120.80 1ujv h ILE 73 Ca 0.35 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1ujv h ILE 73 Cb -0.13 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1ujv h ILE 73 CO -0.08 0.15 -0.09 -0.07 0.00 0.00 0.00 178.15 178.06 1ujv h LEU 74 N -0.42 0.00 -0.43 1.44 3.38 -0.79 -1.12 115.31 117.37 1ujv h LEU 74 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1ujv h LEU 74 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ujv h LEU 74 CO 0.02 0.09 -0.28 0.11 0.09 0.00 0.00 178.44 178.47 1ujv h LYS 75 N 0.00 0.95 -0.21 1.13 1.57 -0.29 -3.19 116.57 116.53 1ujv h LYS 75 Ca -0.00 -0.45 -0.10 0.00 -1.87 0.00 0.00 60.65 58.23 1ujv h LYS 75 Cb 0.22 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ujv h LYS 75 CO 0.01 1.11 -0.29 0.22 -0.57 0.00 0.00 179.45 179.94 1ujv h ASP 76 N 0.79 0.41 -2.06 0.86 3.58 -0.60 -3.46 116.42 115.94 1ujv h ASP 76 Ca 0.09 -0.14 -0.64 0.00 0.42 0.00 0.00 57.03 56.76 1ujv h ASP 76 Cb 0.87 -0.11 0.08 0.00 1.72 0.00 0.00 39.33 41.89 1ujv h ASP 76 CO 0.08 0.69 0.34 0.00 -2.88 0.00 0.00 179.24 177.47 1ujv s PRO 78 N -0.33 4.20 0.07 0.00 0.04 -1.26 -4.95 135.00 132.77 1ujv s PRO 78 Ca 0.73 2.18 -0.32 0.00 0.04 0.00 0.00 61.00 63.63 1ujv s PRO 78 Cb -0.82 -3.87 -0.11 0.00 0.04 0.00 0.00 34.50 29.74 1ujv s PRO 78 CO 0.51 -0.79 1.83 -0.89 0.04 0.00 0.00 177.00 177.70 1ujv n ILE 79 N 5.25 0.42 -0.79 0.56 5.41 -1.26 -1.27 119.36 127.68 1ujv n ILE 79 Ca 0.16 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1ujv n ILE 79 Cb 0.42 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 1ujv n ILE 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ujv n GLY 80 N 4.20 0.56 3.49 7.39 0.00 -0.80 -5.02 105.19 115.01 1ujv n GLY 80 Ca 0.19 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.39 3.94 0.37 1.61 0.01 -0.39 -5.01 113.70 111.84 1ujv s SER 81 Ca 0.00 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.51 1ujv s SER 81 Cb 0.00 -0.63 -0.10 0.00 0.21 0.00 0.00 66.02 65.51 1ujv s SER 81 CO 0.00 0.21 1.34 -1.61 0.41 0.00 0.00 173.24 173.59 1ujv s GLU 82 N -1.86 4.12 -0.09 12.44 8.01 -1.26 -3.96 118.70 136.10 1ujv s GLU 82 Ca 0.17 2.27 0.01 0.00 0.01 0.00 0.00 54.97 57.43 1ujv s GLU 82 Cb -0.11 -2.91 0.02 0.00 -4.31 0.00 0.00 34.13 26.83 1ujv s GLU 82 CO 0.09 -0.40 -0.10 0.99 0.01 0.00 0.00 175.26 175.84 1ujv s THR 83 N -1.19 1.11 -0.11 3.63 2.01 0.45 -4.95 115.64 116.58 1ujv s THR 83 Ca 0.53 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 1ujv s THR 83 Cb -0.40 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1ujv s THR 83 CO 0.53 0.37 0.59 -0.44 -0.69 0.00 0.00 174.62 174.97 1ujv s SER 84 N 1.19 6.79 0.11 3.53 0.01 -1.26 -1.11 113.70 122.95 1ujv s SER 84 Ca -0.05 0.95 0.03 0.00 1.31 0.00 0.00 55.95 58.20 1ujv s SER 84 Cb -0.14 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1ujv s SER 84 CO -0.03 -0.09 -0.09 -0.76 0.41 0.00 0.00 173.24 172.68 1ujv s LEU 85 N 0.93 2.48 -0.07 2.44 1.02 -0.26 -1.24 118.68 123.98 1ujv s LEU 85 Ca 0.31 -0.94 0.03 0.00 0.02 0.00 0.00 54.13 53.55 1ujv s LEU 85 Cb -0.16 -0.24 0.01 0.00 0.02 0.00 0.00 46.19 45.81 1ujv s LEU 85 CO 0.13 -0.35 -0.17 -0.63 0.02 0.00 0.00 176.35 175.35 1ujv s ILE 86 N -3.09 1.52 0.10 -0.59 1.01 0.26 -0.95 121.20 119.45 1ujv s ILE 86 Ca 0.11 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 60.15 1ujv s ILE 86 Cb 0.01 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1ujv s ILE 86 CO -0.01 0.44 -0.27 0.27 0.00 0.00 0.00 174.94 175.37 1ujv s ILE 87 N 0.45 2.22 -1.14 2.92 -5.25 0.38 -1.10 121.20 119.69 1ujv s ILE 87 Ca -0.14 -1.65 -0.19 0.00 -0.99 0.00 0.00 60.65 57.68 1ujv s ILE 87 Cb -0.16 -1.95 0.09 0.00 2.95 0.00 0.00 42.46 43.39 1ujv s ILE 87 CO 0.05 0.18 1.51 -2.28 -1.79 0.00 0.00 174.94 172.61 1ujv s HIS 88 N -0.98 2.87 0.49 1.37 5.65 0.33 -0.79 115.29 124.22 1ujv s HIS 88 Ca 0.13 -1.42 -0.07 0.00 0.25 0.00 0.00 55.06 53.95 1ujv s HIS 88 Cb -0.10 -4.60 -0.04 0.00 -1.18 0.00 0.00 32.58 26.66 1ujv s HIS 88 CO 0.05 -1.74 0.82 0.50 -0.65 0.00 0.00 174.74 173.72 1ujv s ARG 89 N 3.81 3.60 0.00 2.88 6.06 -1.26 -4.60 118.95 129.43 1ujv s ARG 89 Ca 0.46 0.34 0.00 0.00 -2.50 0.00 0.00 55.73 54.03 1ujv s ARG 89 Cb 0.00 -2.33 0.00 0.00 0.06 0.00 0.00 34.95 32.68 1ujv s ARG 89 CO -0.02 -0.23 0.00 0.41 -2.50 0.00 0.00 175.30 172.96 1ujv n GLY 90 N -2.15 -1.82 1.04 8.12 0.00 -1.26 -3.73 105.19 105.39 1ujv n GLY 90 Ca 0.02 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.60 1ujv n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujv n SER 91 N 0.00 -0.45 -3.96 1.61 7.64 -1.26 -5.13 113.62 112.06 1ujv n SER 91 Ca 0.00 -1.56 -0.09 0.00 1.01 0.00 0.00 58.87 58.22 1ujv n SER 91 Cb 0.00 0.83 -0.10 0.00 -1.01 0.00 0.00 64.21 63.93 1ujv n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujv s GLY 92 N -1.66 0.23 0.05 0.23 0.00 -1.26 -5.08 107.32 99.83 1ujv s GLY 92 Ca 0.08 -0.62 -0.17 0.00 0.00 0.00 0.00 44.72 44.02 1ujv s GLY 92 CO 0.06 -0.73 1.22 -0.56 0.00 0.00 0.00 173.10 173.09 1ujv h PRO 93 N 4.01 0.56 -6.48 2.90 0.13 -2.04 -3.43 132.00 127.63 1ujv h PRO 93 Ca -0.32 -0.48 -0.53 0.00 -0.87 0.00 0.00 66.00 63.79 1ujv h PRO 93 Cb 1.19 0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.44 1ujv h PRO 93 CO 0.48 1.11 0.69 -1.54 -0.23 0.00 0.00 178.00 178.51 1ujv s SER 94 N -6.79 6.92 0.29 1.44 1.04 -1.26 -4.94 113.70 110.40 1ujv s SER 94 Ca -0.12 2.17 -0.01 0.00 0.48 0.00 0.00 55.95 58.47 1ujv s SER 94 Cb 0.06 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 64.08 1ujv s SER 94 CO 0.84 -0.60 1.90 0.28 0.98 0.00 0.00 173.24 176.64 1ujv h SER 95 N 7.03 0.96 0.00 7.02 0.02 -2.05 -3.54 113.55 122.99 1ujv h SER 95 Ca -0.41 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1ujv h SER 95 Cb 1.20 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ujv h SER 95 CO 0.86 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.77