#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 -5.43 -3.74 1.61 7.64 -1.26 -4.92 113.62 107.51 1ujv n SER 2 Ca 0.00 0.56 -0.10 0.00 1.01 0.00 0.00 58.87 60.34 1ujv n SER 2 Cb 0.00 -2.87 -0.06 0.00 -1.01 0.00 0.00 64.21 60.27 1ujv n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ujv s SER 3 N -6.04 -0.07 0.00 6.43 1.04 -1.26 -5.04 113.70 108.76 1ujv s SER 3 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1ujv s SER 3 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ujv s SER 3 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1ujv n GLY 4 N -0.03 -2.52 5.75 7.32 0.00 -1.26 -4.82 105.19 109.62 1ujv n GLY 4 Ca -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.37 0.00 -4.68 1.61 7.64 -1.26 -4.67 113.62 111.89 1ujv n SER 5 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1ujv n SER 5 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.44 2.09 -3.64 6.43 2.88 -1.26 -4.94 113.62 115.62 1ujv n SER 6 Ca 0.00 1.02 0.04 0.00 -1.33 0.00 0.00 58.87 58.60 1ujv n SER 6 Cb 0.00 -1.47 0.01 0.00 -0.75 0.00 0.00 64.21 61.99 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 0.93 0.13 3.43 0.46 0.00 -1.26 -4.68 105.19 104.20 1ujv n GLY 7 Ca 0.09 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 1ujv n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ujv s GLN 8 N -2.00 0.87 0.47 1.61 -0.44 -1.26 -5.11 119.66 113.79 1ujv s GLN 8 Ca 0.28 0.24 0.00 0.00 -2.50 0.00 0.00 55.36 53.39 1ujv s GLN 8 Cb -0.00 0.41 0.00 0.00 -1.64 0.00 0.00 33.01 31.77 1ujv s GLN 8 CO -0.02 -0.24 0.00 0.00 0.50 0.00 0.00 175.29 175.53 1ujv n ALA 9 N 1.40 -2.92 -3.34 1.58 0.00 -1.26 -5.04 120.51 110.94 1ujv n ALA 9 Ca -0.19 0.70 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1ujv n ALA 9 Cb 0.56 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.85 0.38 0.39 0.00 -6.30 -1.26 -5.15 118.70 102.91 1ujv s GLU 10 Ca 0.00 0.08 0.04 0.00 -2.50 0.00 0.00 54.97 52.59 1ujv s GLU 10 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 34.13 33.67 1ujv s GLU 10 CO 0.00 -1.00 0.16 -0.51 0.02 0.00 0.00 175.26 173.93 1ujv s LEU 11 N 2.49 1.92 0.18 2.70 1.02 -1.26 -4.46 118.68 121.28 1ujv s LEU 11 Ca 0.10 -1.68 0.09 0.00 0.02 0.00 0.00 54.13 52.65 1ujv s LEU 11 Cb -0.13 0.04 -0.04 0.00 0.02 0.00 0.00 46.19 46.08 1ujv s LEU 11 CO -0.30 -0.96 -0.08 -0.04 0.02 0.00 0.00 176.35 175.00 1ujv s MET 12 N -3.67 2.11 -0.03 1.70 -1.94 -0.48 -4.83 119.30 112.15 1ujv s MET 12 Ca 0.28 -1.26 0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1ujv s MET 12 Cb 0.03 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.69 1ujv s MET 12 CO 0.17 0.43 -0.10 0.99 -0.01 0.00 0.00 175.02 176.50 1ujv s THR 13 N -1.74 0.90 0.19 2.05 2.01 -1.26 -1.36 115.64 116.42 1ujv s THR 13 Ca 0.26 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 1ujv s THR 13 Cb -0.09 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1ujv s THR 13 CO 0.16 0.28 0.25 -0.76 -0.69 0.00 0.00 174.62 173.86 1ujv s LEU 14 N 0.28 0.98 0.15 4.42 1.43 -0.66 -5.02 118.68 120.26 1ujv s LEU 14 Ca -0.05 -1.08 0.10 0.00 -1.03 0.00 0.00 54.13 52.06 1ujv s LEU 14 Cb -0.10 0.97 -0.04 0.00 0.03 0.00 0.00 46.19 47.04 1ujv s LEU 14 CO 0.01 -0.91 -0.22 -0.89 0.23 0.00 0.00 176.35 174.57 1ujv s THR 15 N -4.05 2.00 0.04 5.49 2.01 -1.26 -1.83 115.64 118.04 1ujv s THR 15 Ca 0.26 -1.84 -0.00 0.00 0.31 0.00 0.00 61.69 60.41 1ujv s THR 15 Cb 0.04 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1ujv s THR 15 CO 0.06 -0.15 -0.03 0.27 -0.69 0.00 0.00 174.62 174.08 1ujv s ILE 16 N -1.61 0.18 -0.33 1.82 -4.36 -0.11 -4.16 121.20 112.64 1ujv s ILE 16 Ca 0.15 -1.40 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 1ujv s ILE 16 Cb -0.08 -0.95 0.10 0.00 1.25 0.00 0.00 42.46 42.79 1ujv s ILE 16 CO 0.07 -0.77 0.09 -0.69 0.24 0.00 0.00 174.94 173.89 1ujv s VAL 17 N -2.78 1.33 -0.34 8.37 1.01 0.38 -0.71 120.40 127.66 1ujv s VAL 17 Ca -0.03 -1.76 -0.33 0.00 0.00 0.00 0.00 61.98 59.86 1ujv s VAL 17 Cb -0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 36.38 34.29 1ujv s VAL 17 CO -0.06 -0.67 2.23 1.17 0.00 0.00 0.00 175.10 177.77 1ujv n LYS 18 N 4.58 1.28 -0.68 2.72 4.81 -1.25 -4.65 118.16 124.98 1ujv n LYS 18 Ca 0.00 0.33 -0.13 0.00 -0.87 0.00 0.00 58.31 57.65 1ujv n LYS 18 Cb 0.41 -2.71 0.07 0.00 0.02 0.00 0.00 35.03 32.83 1ujv n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ujv n GLY 19 N 6.31 3.48 1.47 3.14 0.00 -0.82 -0.97 105.19 117.80 1ujv n GLY 19 Ca 0.39 -0.71 0.18 0.00 0.00 0.00 0.00 46.02 45.88 1ujv n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv n ALA 20 N -0.05 -3.85 0.00 4.61 0.00 -1.26 -4.78 120.51 115.18 1ujv n ALA 20 Ca 0.29 0.90 0.00 0.00 0.00 0.00 0.00 53.44 54.62 1ujv n ALA 20 Cb 0.89 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -4.37 0.00 -0.82 0.00 6.02 -1.26 -4.62 117.38 112.33 1ujv n GLN 21 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1ujv n GLN 21 Cb 0.69 -2.45 0.00 0.00 1.02 0.00 0.00 30.24 29.50 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 -1.21 0.37 3.85 1.08 0.00 -1.26 -5.03 105.19 102.98 1ujv n GLY 22 Ca 0.00 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.44 3.42 0.07 1.61 0.40 -1.26 -1.95 117.98 116.82 1ujv s PHE 23 Ca 0.00 1.25 -0.31 0.00 -0.60 0.00 0.00 56.93 57.27 1ujv s PHE 23 Cb 0.00 -2.59 -0.18 0.00 0.51 0.00 0.00 43.02 40.75 1ujv s PHE 23 CO 0.00 -0.11 1.60 0.78 0.70 0.00 0.00 175.22 178.19 1ujv h GLY 24 N 1.54 -0.83 -1.73 4.36 0.00 -1.90 -3.45 103.07 101.06 1ujv h GLY 24 Ca -0.47 0.31 -0.53 0.00 0.00 0.00 0.00 47.33 46.64 1ujv h GLY 24 CO 0.63 -0.30 -0.33 1.97 0.00 0.00 0.00 176.54 178.52 1ujv n PHE 25 N -5.42 -0.73 -4.32 5.60 -1.74 -1.26 -4.39 117.46 105.19 1ujv n PHE 25 Ca -0.13 0.29 -0.17 0.00 -0.56 0.00 0.00 57.45 56.88 1ujv n PHE 25 Cb 0.33 -1.85 -0.10 0.00 1.52 0.00 0.00 39.48 39.38 1ujv n PHE 25 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1ujv s THR 26 N -2.47 1.45 0.25 1.97 -4.23 -0.22 -4.92 115.64 107.47 1ujv s THR 26 Ca 0.60 -2.13 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 1ujv s THR 26 Cb -0.22 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1ujv s THR 26 CO 0.64 -0.56 -0.09 0.27 -0.54 0.00 0.00 174.62 174.34 1ujv s ILE 27 N -3.15 1.66 0.01 2.99 -4.36 -1.26 -1.05 121.20 116.05 1ujv s ILE 27 Ca 0.22 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1ujv s ILE 27 Cb 0.02 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 1ujv s ILE 27 CO 0.06 -0.41 -0.02 0.00 0.24 0.00 0.00 174.94 174.81 1ujv s ALA 28 N -3.01 0.09 0.22 2.27 0.00 0.15 -4.55 121.76 116.92 1ujv s ALA 28 Ca 0.27 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1ujv s ALA 28 Cb 0.02 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 1ujv s ALA 28 CO 0.10 -0.11 1.22 0.34 0.00 0.00 0.00 175.76 177.31 1ujv s ASP 29 N -1.02 7.03 0.20 0.00 2.15 -1.26 -0.94 116.67 122.84 1ujv s ASP 29 Ca -0.11 2.33 0.02 0.00 0.43 0.00 0.00 52.55 55.22 1ujv s ASP 29 Cb -0.07 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.89 1ujv s ASP 29 CO -0.01 -0.40 0.02 -0.94 -0.17 0.00 0.00 175.17 173.67 1ujv s SER 30 N -0.01 1.38 0.16 -0.34 1.04 -0.61 -4.85 113.70 110.47 1ujv s SER 30 Ca 0.52 -1.22 0.19 0.00 0.48 0.00 0.00 55.95 55.92 1ujv s SER 30 Cb -0.34 0.10 0.81 0.00 0.10 0.00 0.00 66.02 66.68 1ujv s SER 30 CO 0.39 -0.58 1.58 -0.81 0.98 0.00 0.00 173.24 174.80 1ujv n PRO 31 N -0.33 0.11 -0.11 4.02 -0.04 -1.26 -3.22 135.00 134.17 1ujv n PRO 31 Ca -0.05 0.38 0.06 0.00 -0.04 0.00 0.00 63.50 63.86 1ujv n PRO 31 Cb 0.64 -1.73 0.12 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.94 0.56 0.00 0.52 -2.24 -1.26 -5.08 114.28 104.85 1ujv n THR 32 Ca 0.02 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1ujv n THR 32 Cb 0.18 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 0.69 0.56 3.87 3.38 0.00 -1.20 -4.96 105.19 107.52 1ujv n GLY 33 Ca 0.11 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.10 3.83 0.26 1.61 -1.52 -1.26 -1.57 119.66 120.91 1ujv s GLN 34 Ca 0.00 0.45 0.12 0.00 -1.95 0.00 0.00 55.36 53.97 1ujv s GLN 34 Cb 0.00 -2.47 -0.05 0.00 -0.22 0.00 0.00 33.01 30.27 1ujv s GLN 34 CO 0.00 0.10 -0.20 1.03 -0.25 0.00 0.00 175.29 175.97 1ujv s ARG 35 N -3.40 1.62 -0.14 2.91 0.52 -0.12 -1.24 118.95 119.12 1ujv s ARG 35 Ca 0.51 -1.71 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 1ujv s ARG 35 Cb -0.10 -1.73 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 1ujv s ARG 35 CO 0.25 0.33 1.46 0.08 0.02 0.00 0.00 175.30 177.45 1ujv s VAL 36 N -2.39 3.93 -0.00 3.52 1.01 -0.42 -0.67 120.40 125.37 1ujv s VAL 36 Ca 0.28 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 1ujv s VAL 36 Cb -0.05 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1ujv s VAL 36 CO 0.13 -0.15 0.58 0.50 0.00 0.00 0.00 175.10 176.17 1ujv h LYS 37 N 9.10 -0.08 -2.93 2.72 3.64 -1.33 -2.86 116.57 124.83 1ujv h LYS 37 Ca -0.32 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 1ujv h LYS 37 Cb 1.14 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.79 1ujv h LYS 37 CO 0.97 -0.05 -0.16 -1.14 -2.27 0.00 0.00 179.45 176.79 1ujv s GLN 38 N -2.30 0.81 -0.57 1.90 0.74 -1.23 -4.60 119.66 114.40 1ujv s GLN 38 Ca -0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 1ujv s GLN 38 Cb 0.00 0.36 0.15 0.00 1.10 0.00 0.00 33.01 34.62 1ujv s GLN 38 CO 0.04 -0.25 0.38 0.42 -0.55 0.00 0.00 175.29 175.33 1ujv s ILE 39 N -1.78 3.53 -0.48 -2.34 1.01 -1.26 -1.06 121.20 118.83 1ujv s ILE 39 Ca -0.10 -2.82 0.24 0.00 0.00 0.00 0.00 60.65 57.97 1ujv s ILE 39 Cb -0.03 -3.34 0.23 0.00 0.01 0.00 0.00 42.46 39.34 1ujv s ILE 39 CO 0.02 -0.83 1.50 -0.07 0.00 0.00 0.00 174.94 175.56 1ujv h LEU 40 N 7.18 0.00 -7.26 2.97 3.38 -1.92 -3.40 115.31 116.27 1ujv h LEU 40 Ca -0.04 -0.02 -0.63 0.00 0.09 0.00 0.00 57.88 57.28 1ujv h LEU 40 Cb 0.97 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.31 1ujv h LEU 40 CO 0.71 0.01 -0.68 -0.62 0.09 0.00 0.00 178.44 177.94 1ujv s ASP 41 N -5.51 4.11 0.34 -0.43 2.15 -1.26 -4.89 116.67 111.17 1ujv s ASP 41 Ca 0.06 -2.71 0.13 0.00 0.43 0.00 0.00 52.55 50.46 1ujv s ASP 41 Cb 0.08 -1.38 0.59 0.00 -0.30 0.00 0.00 42.92 41.91 1ujv s ASP 41 CO 0.68 -0.27 1.74 0.40 -0.17 0.00 0.00 175.17 177.55 1ujv h ILE 42 N 5.58 1.25 0.32 4.11 2.04 -1.85 -1.80 117.51 127.16 1ujv h ILE 42 Ca -0.05 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 1ujv h ILE 42 Cb 0.92 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1ujv h ILE 42 CO 0.59 0.45 -0.15 1.56 0.00 0.00 0.00 178.15 180.60 1ujv h GLN 43 N 0.00 -0.41 0.00 2.37 4.20 -1.97 -3.29 115.11 116.01 1ujv h GLN 43 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ujv h GLN 43 Cb 0.86 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1ujv h GLN 43 CO 0.06 -0.27 0.00 0.41 -0.67 0.00 0.00 178.83 178.36 1ujv n GLY 44 N 0.69 -1.17 2.62 3.46 0.00 -1.24 -2.85 105.19 106.70 1ujv n GLY 44 Ca -0.05 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.87 3.78 0.00 0.00 0.04 -1.13 -3.28 135.00 131.54 1ujv s PRO 46 Ca 0.43 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1ujv s PRO 46 Cb 0.20 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1ujv s PRO 46 CO -0.06 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1ujv n GLY 47 N 0.41 0.92 3.73 0.56 0.00 -1.26 -4.64 105.19 104.90 1ujv n GLY 47 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 0.18 0.99 0.20 -1.21 -5.03 118.68 118.23 1ujv s LEU 48 Ca 0.00 2.11 0.07 0.00 0.69 0.00 0.00 54.13 57.00 1ujv s LEU 48 Cb 0.00 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.13 1ujv s LEU 48 CO 0.00 -0.39 -0.00 0.00 -0.29 0.00 0.00 176.35 175.67 1ujv s GLU 50 N -3.00 3.27 0.00 0.00 2.02 -1.26 -3.10 118.70 116.64 1ujv s GLU 50 Ca 0.28 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.12 1ujv s GLU 50 Cb -0.09 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1ujv s GLU 50 CO 0.19 -0.97 0.00 0.41 0.02 0.00 0.00 175.26 174.91 1ujv n GLY 51 N 0.48 0.03 3.78 -1.39 0.00 -1.08 -4.97 105.19 102.04 1ujv n GLY 51 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ujv n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ujv n ASP 52 N -0.83 3.87 -4.72 1.61 8.00 -1.18 -4.46 116.55 118.84 1ujv n ASP 52 Ca 0.00 1.22 -0.38 0.00 0.71 0.00 0.00 54.79 56.34 1ujv n ASP 52 Cb 0.42 -1.63 -0.06 0.00 -0.02 0.00 0.00 41.12 39.83 1ujv n ASP 52 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ujv s LEU 53 N -1.93 4.26 -0.01 0.64 2.96 -1.26 -1.31 118.68 122.03 1ujv s LEU 53 Ca 0.54 0.80 -0.28 0.00 -0.22 0.00 0.00 54.13 54.97 1ujv s LEU 53 Cb -0.47 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 1ujv s LEU 53 CO 0.62 -0.02 0.91 -0.63 -1.32 0.00 0.00 176.35 175.91 1ujv s ILE 54 N 0.73 4.91 -0.00 6.68 1.01 -0.37 -1.89 121.20 132.27 1ujv s ILE 54 Ca 0.26 1.91 -0.03 0.00 0.00 0.00 0.00 60.65 62.78 1ujv s ILE 54 Cb -0.15 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 1ujv s ILE 54 CO 0.10 0.19 -0.07 0.52 0.00 0.00 0.00 174.94 175.68 1ujv n VAL 55 N 3.85 0.79 -4.31 2.92 0.31 -0.56 -4.44 118.33 116.89 1ujv n VAL 55 Ca 0.04 0.14 -0.22 0.00 -0.01 0.00 0.00 64.34 64.29 1ujv n VAL 55 Cb 0.51 -1.65 -0.12 0.00 -0.91 0.00 0.00 33.84 31.67 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 -2.13 1.19 -0.05 5.55 2.02 -1.09 -0.98 118.70 123.21 1ujv s GLU 56 Ca -0.06 -1.29 0.04 0.00 0.02 0.00 0.00 54.97 53.68 1ujv s GLU 56 Cb 0.02 -1.33 -0.00 0.00 0.10 0.00 0.00 34.13 32.91 1ujv s GLU 56 CO 0.09 0.29 -0.18 0.42 0.02 0.00 0.00 175.26 175.90 1ujv s ILE 57 N -1.67 1.48 -0.90 -1.63 1.01 -1.11 -1.62 121.20 116.76 1ujv s ILE 57 Ca 0.11 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1ujv s ILE 57 Cb -0.08 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1ujv s ILE 57 CO 0.05 0.42 0.31 0.59 0.00 0.00 0.00 174.94 176.32 1ujv n ASN 58 N 3.15 -1.63 -1.94 3.58 3.02 0.38 -1.19 115.26 120.63 1ujv n ASN 58 Ca -0.18 -0.89 -0.20 0.00 -0.03 0.00 0.00 54.58 53.29 1ujv n ASN 58 Cb 0.53 -1.07 -0.04 0.00 -0.61 0.00 0.00 39.78 38.58 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 -3.66 -1.49 -5.06 3.52 6.02 -1.26 -4.99 117.38 110.47 1ujv n GLN 59 Ca -0.12 1.05 -0.31 0.00 -0.01 0.00 0.00 57.00 57.61 1ujv n GLN 59 Cb 0.41 -5.54 -0.17 0.00 1.02 0.00 0.00 30.24 25.96 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 -4.45 2.81 0.01 -1.09 0.74 -0.33 -5.11 119.66 112.24 1ujv s GLN 60 Ca 0.00 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.31 1ujv s GLN 60 Cb 0.00 -2.16 -0.05 0.00 1.10 0.00 0.00 33.01 31.90 1ujv s GLN 60 CO 0.00 0.13 1.31 1.21 -0.55 0.00 0.00 175.29 177.39 1ujv s ASN 61 N 0.44 6.94 -0.05 6.67 3.84 -1.26 -2.76 114.94 128.76 1ujv s ASN 61 Ca -0.17 2.04 0.08 0.00 0.21 0.00 0.00 52.86 55.02 1ujv s ASN 61 Cb -0.17 -2.57 0.12 0.00 -0.55 0.00 0.00 41.25 38.08 1ujv s ASN 61 CO 0.07 -0.63 1.01 1.33 -2.79 0.00 0.00 177.10 176.09 1ujv n VAL 62 N 4.43 0.94 0.28 -5.21 0.24 -0.15 -4.73 118.33 114.13 1ujv n VAL 62 Ca 0.12 -1.10 0.14 0.00 -2.04 0.00 0.00 64.34 61.46 1ujv n VAL 62 Cb 0.45 0.24 0.64 0.00 -1.47 0.00 0.00 33.84 33.70 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 0.00 0.00 7.34 4.20 -1.76 -3.16 115.11 121.73 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 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1ujv h GLN 63 CO 0.00 0.00 -0.01 0.09 -0.67 0.00 0.00 178.83 178.24 1ujv n ASN 64 N -2.45 2.22 -4.62 1.46 3.02 -1.26 -4.62 115.26 109.00 1ujv n ASN 64 Ca -0.00 -2.78 -0.31 0.00 -0.03 0.00 0.00 54.58 51.46 1ujv n ASN 64 Cb 0.14 -0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ujv s LEU 65 N -2.34 3.24 0.43 3.41 1.43 -1.20 -5.12 118.68 118.54 1ujv s LEU 65 Ca 0.23 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 1ujv s LEU 65 Cb 0.20 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 1ujv s LEU 65 CO 0.02 0.23 1.05 -0.44 0.23 0.00 0.00 176.35 177.44 1ujv s SER 66 N -1.86 6.60 0.47 2.29 0.01 -1.26 -4.81 113.70 115.14 1ujv s SER 66 Ca 0.21 2.00 0.34 0.00 1.31 0.00 0.00 55.95 59.80 1ujv s SER 66 Cb -0.11 -2.58 1.47 0.00 0.21 0.00 0.00 66.02 65.01 1ujv s SER 66 CO 0.12 -0.60 1.65 -0.74 0.41 0.00 0.00 173.24 174.08 1ujv h HIS 67 N 2.14 0.38 -0.23 2.43 2.76 -1.98 0.13 115.15 120.78 1ujv h HIS 67 Ca -0.49 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 57.61 1ujv h HIS 67 Cb 1.22 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 1ujv h HIS 67 CO 0.57 -0.12 -0.22 1.15 -1.30 0.00 0.00 177.93 178.01 1ujv h THR 68 N 0.09 1.25 0.01 6.26 2.02 -1.99 -1.99 112.91 118.56 1ujv h THR 68 Ca 0.80 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1ujv h THR 68 Cb 2.68 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 1ujv h THR 68 CO -0.29 0.37 -0.11 -0.33 0.37 0.00 0.00 175.52 175.54 1ujv h GLU 69 N 0.39 0.06 -0.75 6.66 4.39 -1.10 -1.33 114.58 122.89 1ujv h GLU 69 Ca 0.06 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1ujv h GLU 69 Cb 0.60 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1ujv h GLU 69 CO 0.04 0.90 0.49 -0.39 -1.16 0.00 0.00 179.01 178.89 1ujv h VAL 70 N -0.74 1.16 -0.02 3.13 -1.51 -1.64 0.23 116.25 116.84 1ujv h VAL 70 Ca -0.02 -0.34 0.01 0.00 -1.23 0.00 0.00 66.70 65.13 1ujv h VAL 70 Cb 0.94 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 1ujv h VAL 70 CO 0.02 0.18 -0.04 0.58 -1.23 0.00 0.00 177.57 177.08 1ujv h VAL 71 N 0.98 0.88 -0.88 7.19 2.07 -1.38 -2.45 116.25 122.66 1ujv h VAL 71 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1ujv h VAL 71 Cb -0.06 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1ujv h VAL 71 CO -0.08 0.00 0.56 -0.78 0.02 0.00 0.00 177.57 177.28 1ujv h ASP 72 N -0.06 1.04 0.03 0.57 1.82 -0.40 0.06 116.42 119.48 1ujv h ASP 72 Ca 0.03 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1ujv h ASP 72 Cb 0.10 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1ujv h ASP 72 CO -0.06 0.78 -0.04 0.40 -1.61 0.00 0.00 179.24 178.71 1ujv h ILE 73 N 1.21 0.90 0.00 2.25 2.04 -0.98 0.12 117.51 123.04 1ujv h ILE 73 Ca 0.32 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.17 1ujv h ILE 73 Cb -0.09 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1ujv h ILE 73 CO -0.06 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 177.97 1ujv h LEU 74 N -0.09 0.00 -0.16 1.44 3.38 -0.85 -0.76 115.31 118.28 1ujv h LEU 74 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1ujv h LEU 74 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ujv h LEU 74 CO -0.02 0.04 -0.55 0.11 0.09 0.00 0.00 178.44 178.11 1ujv h LYS 75 N 0.00 0.65 0.00 1.13 1.57 -0.13 -3.12 116.57 116.67 1ujv h LYS 75 Ca -0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1ujv h LYS 75 Cb 0.08 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ujv h LYS 75 CO 0.01 1.11 0.00 0.22 -0.57 0.00 0.00 179.45 180.22 1ujv h ASP 76 N 0.32 0.00 -3.95 0.86 3.58 0.30 -3.43 116.42 114.10 1ujv h ASP 76 Ca -0.03 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.89 1ujv h ASP 76 Cb 1.18 0.00 0.11 0.00 1.72 0.00 0.00 39.33 42.34 1ujv h ASP 76 CO 0.12 0.00 0.76 0.00 -2.88 0.00 0.00 179.24 177.24 1ujv n PRO 78 N 0.35 2.09 -2.30 0.00 -0.02 -1.26 -5.00 135.00 128.85 1ujv n PRO 78 Ca 0.02 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 1ujv n PRO 78 Cb 0.40 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1ujv n PRO 78 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ujv s ILE 79 N -1.20 3.29 -0.99 4.25 1.01 -1.26 -3.97 121.20 122.33 1ujv s ILE 79 Ca 0.62 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 62.41 1ujv s ILE 79 Cb -0.47 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1ujv s ILE 79 CO 0.57 0.22 0.83 0.61 0.00 0.00 0.00 174.94 177.17 1ujv n GLY 80 N 1.79 -0.32 3.25 6.18 0.00 -0.14 -4.96 105.19 110.99 1ujv n GLY 80 Ca 0.03 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.02 -0.19 -0.45 1.61 0.01 -1.25 -4.99 113.70 104.42 1ujv s SER 81 Ca 0.06 0.02 -0.27 0.00 1.31 0.00 0.00 55.95 57.07 1ujv s SER 81 Cb -0.01 0.33 -0.06 0.00 0.21 0.00 0.00 66.02 66.50 1ujv s SER 81 CO 0.61 -0.50 2.27 -1.61 0.41 0.00 0.00 173.24 174.42 1ujv s GLU 82 N -1.70 2.41 0.30 12.44 8.01 -1.26 -3.80 118.70 135.10 1ujv s GLU 82 Ca -0.11 1.41 -0.21 0.00 0.01 0.00 0.00 54.97 56.07 1ujv s GLU 82 Cb -0.04 -4.50 -0.09 0.00 -4.31 0.00 0.00 34.13 25.19 1ujv s GLU 82 CO 0.02 -2.93 0.83 0.99 0.01 0.00 0.00 175.26 174.18 1ujv s THR 83 N 10.83 4.44 -0.09 3.63 2.01 0.12 -4.94 115.64 131.65 1ujv s THR 83 Ca 0.93 1.44 0.04 0.00 0.31 0.00 0.00 61.69 64.41 1ujv s THR 83 Cb -0.19 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.48 1ujv s THR 83 CO 0.27 0.05 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.58 1ujv s SER 84 N -1.81 3.00 0.09 3.53 0.01 -1.26 -0.93 113.70 116.32 1ujv s SER 84 Ca 0.50 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 57.30 1ujv s SER 84 Cb -0.15 -1.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.80 1ujv s SER 84 CO 0.20 0.17 -0.19 -0.76 0.41 0.00 0.00 173.24 173.08 1ujv s LEU 85 N 0.25 2.29 -0.12 2.44 1.02 -0.76 -0.47 118.68 123.33 1ujv s LEU 85 Ca -0.15 -0.66 0.02 0.00 0.02 0.00 0.00 54.13 53.36 1ujv s LEU 85 Cb -0.17 -0.76 0.01 0.00 0.02 0.00 0.00 46.19 45.30 1ujv s LEU 85 CO 0.08 0.01 -0.19 -0.63 0.02 0.00 0.00 176.35 175.64 1ujv s ILE 86 N -1.19 1.75 0.18 -0.59 1.01 -0.64 -1.65 121.20 120.07 1ujv s ILE 86 Ca 0.03 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 59.98 1ujv s ILE 86 Cb -0.10 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1ujv s ILE 86 CO 0.04 0.49 -0.21 0.27 0.00 0.00 0.00 174.94 175.52 1ujv s ILE 87 N 0.82 2.08 -1.19 2.92 -5.25 -0.47 -1.49 121.20 118.62 1ujv s ILE 87 Ca -0.09 -1.96 -0.13 0.00 -0.99 0.00 0.00 60.65 57.49 1ujv s ILE 87 Cb -0.16 -1.97 0.19 0.00 2.95 0.00 0.00 42.46 43.48 1ujv s ILE 87 CO -0.00 -0.21 1.38 -2.28 -1.79 0.00 0.00 174.94 172.05 1ujv s HIS 88 N -1.82 3.62 0.00 1.37 5.65 -0.79 -1.39 115.29 121.93 1ujv s HIS 88 Ca 0.18 -2.22 0.00 0.00 0.25 0.00 0.00 55.06 53.27 1ujv s HIS 88 Cb -0.07 -4.24 0.00 0.00 -1.18 0.00 0.00 32.58 27.09 1ujv s HIS 88 CO 0.08 -1.33 0.00 -2.13 -0.65 0.00 0.00 174.74 170.71 1ujv n ARG 89 N 5.20 2.17 0.00 2.88 3.00 -1.26 -4.68 116.66 123.97 1ujv n ARG 89 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 1ujv n ARG 89 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 1ujv n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ujv n GLY 90 N 5.00 0.28 0.83 5.14 0.00 -1.26 -4.76 105.19 110.42 1ujv n GLY 90 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.62 0.00 1.61 7.64 -1.26 -5.12 113.62 117.11 1ujv n SER 91 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ujv n SER 91 Cb 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1ujv n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujv n GLY 92 N 3.09 0.97 3.70 0.23 0.00 -1.26 -5.13 105.19 106.79 1ujv n GLY 92 Ca -0.01 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 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 0.89 -1.17 1.61 0.04 -1.26 -4.50 135.00 128.61 1ujv s PRO 93 Ca 0.00 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 1ujv s PRO 93 Cb 0.00 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.77 1ujv s PRO 93 CO 0.00 -2.46 0.75 -1.13 0.04 0.00 0.00 177.00 174.19 1ujv n SER 94 N -4.02 -4.78 -0.01 6.66 3.41 -1.26 -4.92 113.62 108.71 1ujv n SER 94 Ca 0.06 -1.10 -0.10 0.00 -0.26 0.00 0.00 58.87 57.47 1ujv n SER 94 Cb 0.56 -2.85 -0.14 0.00 -0.26 0.00 0.00 64.21 61.52 1ujv n SER 94 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ujv h SER 95 N -2.12 0.04 0.00 4.04 0.02 -2.02 -3.55 113.55 109.97 1ujv h SER 95 Ca -0.68 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1ujv h SER 95 Cb 1.38 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1ujv h SER 95 CO 0.50 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.88