#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 -7.04 0.00 1.61 7.64 -1.26 -4.70 113.62 109.87 1ujv n SER 2 Ca 0.00 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1ujv n SER 2 Cb 0.00 -1.85 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 1ujv n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujv n SER 3 N -3.56 1.00 -3.80 6.43 2.88 -1.26 -5.06 113.62 110.25 1ujv n SER 3 Ca 0.00 -1.15 -0.09 0.00 -1.33 0.00 0.00 58.87 56.31 1ujv n SER 3 Cb 0.28 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1ujv n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujv s GLY 4 N -0.15 -0.02 0.46 0.46 0.00 -1.26 -5.09 107.32 101.73 1ujv s GLY 4 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1ujv s GLY 4 CO 0.00 -0.25 0.00 -1.14 0.00 0.00 0.00 173.10 171.71 1ujv n SER 5 N -0.38 -3.81 -3.58 1.64 3.41 -1.26 -5.06 113.62 104.58 1ujv n SER 5 Ca -0.07 0.88 -0.11 0.00 -0.26 0.00 0.00 58.87 59.30 1ujv n SER 5 Cb 0.62 3.56 -0.04 0.00 -0.26 0.00 0.00 64.21 68.08 1ujv n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujv s SER 6 N -2.43 -0.35 0.43 4.04 0.01 -1.26 -5.18 113.70 108.97 1ujv s SER 6 Ca 0.00 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.18 1ujv s SER 6 Cb 0.00 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 1ujv s SER 6 CO 0.00 -0.85 0.31 -0.83 0.41 0.00 0.00 173.24 172.28 1ujv s GLY 7 N -2.62 2.25 1.13 3.44 0.00 -1.26 -5.15 107.32 105.12 1ujv s GLY 7 Ca 0.01 -1.88 -0.13 0.00 0.00 0.00 0.00 44.72 42.73 1ujv s GLY 7 CO -0.10 -1.81 1.04 -0.86 0.00 0.00 0.00 173.10 171.37 1ujv s GLN 8 N -4.07 -0.66 0.00 2.90 -2.07 -1.26 -5.01 119.66 109.49 1ujv s GLN 8 Ca 0.43 0.80 0.00 0.00 -1.82 0.00 0.00 55.36 54.77 1ujv s GLN 8 Cb -0.00 -1.59 0.00 0.00 -1.09 0.00 0.00 33.01 30.33 1ujv s GLN 8 CO 0.25 -3.54 0.14 0.00 -1.32 0.00 0.00 175.29 170.82 1ujv n ALA 9 N -4.78 1.17 -1.51 2.60 0.00 -1.26 -5.08 120.51 111.64 1ujv n ALA 9 Ca 0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 1ujv n ALA 9 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 1ujv n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ujv n GLU 10 N -0.22 0.17 -4.51 0.00 4.71 -1.26 -4.95 120.64 114.58 1ujv n GLU 10 Ca 0.00 -0.03 -0.24 0.00 -0.01 0.00 0.00 57.16 56.88 1ujv n GLU 10 Cb 0.07 -1.79 -0.11 0.00 -1.01 0.00 0.00 31.44 28.60 1ujv n GLU 10 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1ujv s LEU 11 N 8.38 2.46 -0.01 -4.62 1.43 -1.21 -4.02 118.68 121.08 1ujv s LEU 11 Ca 1.28 -1.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1ujv s LEU 11 Cb -1.00 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1ujv s LEU 11 CO 0.45 -0.53 -0.05 -0.04 0.23 0.00 0.00 176.35 176.42 1ujv s MET 12 N -3.81 0.49 -0.14 1.70 -1.94 -0.01 -4.77 119.30 110.83 1ujv s MET 12 Ca 0.35 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1ujv s MET 12 Cb 0.09 -0.50 0.02 0.00 2.01 0.00 0.00 34.83 36.45 1ujv s MET 12 CO 0.16 0.06 -0.13 0.99 -0.01 0.00 0.00 175.02 176.09 1ujv s THR 13 N 0.18 1.47 0.19 2.05 2.01 -1.26 -0.17 115.64 120.10 1ujv s THR 13 Ca -0.02 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1ujv s THR 13 Cb -0.06 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1ujv s THR 13 CO -0.00 0.44 0.06 -0.76 -0.69 0.00 0.00 174.62 173.67 1ujv s LEU 14 N 1.53 1.72 0.03 4.42 1.43 -0.86 -5.01 118.68 121.93 1ujv s LEU 14 Ca 0.05 -1.28 0.06 0.00 -1.03 0.00 0.00 54.13 51.94 1ujv s LEU 14 Cb -0.13 0.15 -0.02 0.00 0.03 0.00 0.00 46.19 46.22 1ujv s LEU 14 CO -0.10 -0.70 -0.18 -0.89 0.23 0.00 0.00 176.35 174.70 1ujv s THR 15 N -3.89 1.44 0.10 5.49 2.01 -1.26 -1.11 115.64 118.43 1ujv s THR 15 Ca 0.30 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1ujv s THR 15 Cb 0.07 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1ujv s THR 15 CO 0.07 0.20 -0.02 0.27 -0.69 0.00 0.00 174.62 174.46 1ujv s ILE 16 N -0.71 0.41 0.08 1.82 -4.36 -0.03 -3.26 121.20 115.15 1ujv s ILE 16 Ca 0.06 -1.90 0.09 0.00 -0.26 0.00 0.00 60.65 58.64 1ujv s ILE 16 Cb -0.08 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 1ujv s ILE 16 CO 0.01 -0.76 -0.21 -0.69 0.24 0.00 0.00 174.94 173.53 1ujv s VAL 17 N -3.82 2.61 -0.95 8.37 1.01 -0.13 0.02 120.40 127.51 1ujv s VAL 17 Ca 0.15 -1.42 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 1ujv s VAL 17 Cb 0.07 -2.13 0.21 0.00 0.00 0.00 0.00 36.38 34.53 1ujv s VAL 17 CO -0.04 0.22 0.98 -0.75 0.00 0.00 0.00 175.10 175.51 1ujv s LYS 18 N -1.75 3.80 -1.13 2.72 2.20 -0.86 -4.59 119.74 120.13 1ujv s LYS 18 Ca 0.15 -2.53 -0.06 0.00 -0.36 0.00 0.00 55.97 53.17 1ujv s LYS 18 Cb -0.10 -4.61 0.27 0.00 -1.51 0.00 0.00 37.83 31.88 1ujv s LYS 18 CO 0.06 -1.41 1.51 0.41 -0.36 0.00 0.00 175.35 175.56 1ujv n GLY 19 N 3.95 4.90 1.52 5.54 0.00 -0.86 -0.27 105.19 119.97 1ujv n GLY 19 Ca 0.20 -2.52 0.07 0.00 0.00 0.00 0.00 46.02 43.77 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 2.15 -2.74 -0.19 4.61 0.00 -1.26 -4.50 120.51 118.58 1ujv n ALA 20 Ca 0.29 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1ujv n ALA 20 Cb 0.35 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.35 0.00 0.00 0.00 6.02 -1.26 -4.21 117.38 114.58 1ujv n GLN 21 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1ujv n GLN 21 Cb 0.57 -2.35 0.00 0.00 1.02 0.00 0.00 30.24 29.49 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 -0.18 0.44 3.99 1.08 0.00 -1.26 -5.05 105.19 104.20 1ujv n GLY 22 Ca 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 2.95 0.05 1.61 0.40 -1.26 -2.03 117.98 119.71 1ujv s PHE 23 Ca 0.00 -0.20 -0.19 0.00 -0.60 0.00 0.00 56.93 55.95 1ujv s PHE 23 Cb 0.00 -2.35 -0.13 0.00 0.51 0.00 0.00 43.02 41.05 1ujv s PHE 23 CO 0.00 -0.40 1.35 0.78 0.70 0.00 0.00 175.22 177.65 1ujv h GLY 24 N 0.56 0.50 -0.85 4.36 0.00 -1.81 -3.46 103.07 102.37 1ujv h GLY 24 Ca -0.43 -0.53 -0.35 0.00 0.00 0.00 0.00 47.33 46.02 1ujv h GLY 24 CO 0.50 0.47 -0.04 1.97 0.00 0.00 0.00 176.54 179.44 1ujv n PHE 25 N -4.45 -3.75 -4.20 5.60 -1.74 -1.26 -4.47 117.46 103.17 1ujv n PHE 25 Ca -0.06 -0.83 -0.17 0.00 -0.56 0.00 0.00 57.45 55.83 1ujv n PHE 25 Cb 0.41 -1.11 -0.13 0.00 1.52 0.00 0.00 39.48 40.17 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 -2.39 0.84 0.38 1.97 -4.23 0.20 -4.91 115.64 107.50 1ujv s THR 26 Ca 0.64 -0.97 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1ujv s THR 26 Cb -0.09 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 1ujv s THR 26 CO 0.51 -0.14 0.22 0.27 -0.54 0.00 0.00 174.62 174.94 1ujv s ILE 27 N -0.99 2.77 0.10 2.99 -4.36 -1.26 -0.88 121.20 119.56 1ujv s ILE 27 Ca -0.03 -1.58 -0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1ujv s ILE 27 Cb -0.08 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 1ujv s ILE 27 CO 0.01 -0.09 -0.01 0.00 0.24 0.00 0.00 174.94 175.09 1ujv s ALA 28 N -2.48 0.82 0.47 2.27 0.00 0.35 -4.41 121.76 118.78 1ujv s ALA 28 Ca 0.41 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 1ujv s ALA 28 Cb -0.01 0.43 -0.08 0.00 0.00 0.00 0.00 23.12 23.46 1ujv s ALA 28 CO 0.24 -0.36 1.06 0.34 0.00 0.00 0.00 175.76 177.03 1ujv s ASP 29 N -3.01 6.40 0.17 0.00 2.15 -1.26 -1.43 116.67 119.68 1ujv s ASP 29 Ca 0.15 2.00 -0.15 0.00 0.43 0.00 0.00 52.55 54.98 1ujv s ASP 29 Cb 0.07 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1ujv s ASP 29 CO -0.04 -0.75 0.43 -0.94 -0.17 0.00 0.00 175.17 173.71 1ujv s SER 30 N -1.82 -0.17 0.00 -0.34 1.04 -1.14 -4.72 113.70 106.55 1ujv s SER 30 Ca 0.65 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.59 1ujv s SER 30 Cb -0.19 0.51 0.29 0.00 0.10 0.00 0.00 66.02 66.73 1ujv s SER 30 CO 0.23 -0.96 0.82 -0.81 0.98 0.00 0.00 173.24 173.50 1ujv n PRO 31 N -0.28 0.14 0.00 4.02 -0.04 -1.26 -2.11 135.00 135.47 1ujv n PRO 31 Ca -0.11 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ujv n PRO 31 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.07 0.00 0.00 0.52 -2.24 -1.26 -5.14 114.28 105.09 1ujv n THR 32 Ca 0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ujv n THR 32 Cb 0.02 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.55 2.24 3.69 3.38 0.00 -0.90 -4.99 105.19 109.15 1ujv n GLY 33 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.85 4.24 0.31 1.61 1.11 -1.26 -2.89 119.66 120.93 1ujv s GLN 34 Ca 0.00 2.13 0.07 0.00 0.01 0.00 0.00 55.36 57.56 1ujv s GLN 34 Cb 0.00 -3.60 -0.02 0.00 -1.01 0.00 0.00 33.01 28.38 1ujv s GLN 34 CO 0.00 -0.66 0.36 1.03 0.01 0.00 0.00 175.29 176.03 1ujv s ARG 35 N 2.58 3.03 0.04 2.91 0.52 -0.51 -1.32 118.95 126.20 1ujv s ARG 35 Ca 0.68 -1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 54.53 1ujv s ARG 35 Cb -0.35 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 1ujv s ARG 35 CO 0.29 0.19 1.31 0.08 0.02 0.00 0.00 175.30 177.18 1ujv s VAL 36 N -2.17 3.78 -0.00 3.52 1.01 -0.89 -0.50 120.40 125.15 1ujv s VAL 36 Ca 0.40 1.24 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 1ujv s VAL 36 Cb -0.08 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1ujv s VAL 36 CO 0.28 0.06 0.44 0.50 0.00 0.00 0.00 175.10 176.38 1ujv h LYS 37 N 7.18 -0.04 -2.51 2.72 1.63 -1.22 -3.13 116.57 121.20 1ujv h LYS 37 Ca -0.40 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.31 1ujv h LYS 37 Cb 1.20 0.01 -0.23 0.00 -0.60 0.00 0.00 32.23 32.61 1ujv h LYS 37 CO 0.86 -0.03 -0.11 -1.14 -3.45 0.00 0.00 179.45 175.58 1ujv s GLN 38 N -1.95 0.63 -0.01 1.90 0.74 -1.14 -4.70 119.66 115.13 1ujv s GLN 38 Ca -0.01 0.62 -0.20 0.00 0.05 0.00 0.00 55.36 55.83 1ujv s GLN 38 Cb 0.00 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.36 1ujv s GLN 38 CO 0.02 -0.09 0.56 0.42 -0.55 0.00 0.00 175.29 175.64 1ujv s ILE 39 N 0.07 4.94 0.00 -2.34 1.01 -1.26 -0.62 121.20 122.99 1ujv s ILE 39 Ca -0.02 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1ujv s ILE 39 Cb -0.03 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1ujv s ILE 39 CO 0.02 0.44 0.00 0.18 0.00 0.00 0.00 174.94 175.57 1ujv n LEU 40 N 2.65 0.28 -3.73 2.97 4.77 -1.26 -4.90 117.00 117.77 1ujv n LEU 40 Ca -0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 1ujv n LEU 40 Cb 0.51 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1ujv n LEU 40 CO 0.43 0.05 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.61 1ujv s ASP 41 N -2.99 3.90 0.12 -1.43 2.15 -1.26 -4.96 116.67 112.21 1ujv s ASP 41 Ca 0.00 -2.05 -0.12 0.00 0.43 0.00 0.00 52.55 50.80 1ujv s ASP 41 Cb 0.00 -0.96 -0.08 0.00 -0.30 0.00 0.00 42.92 41.58 1ujv s ASP 41 CO 0.00 -0.36 1.42 0.40 -0.17 0.00 0.00 175.17 176.47 1ujv h ILE 42 N 5.99 1.28 0.00 4.11 2.04 -1.91 -2.51 117.51 126.51 1ujv h ILE 42 Ca -0.08 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1ujv h ILE 42 Cb 0.98 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1ujv h ILE 42 CO 0.47 0.53 0.00 1.56 0.00 0.00 0.00 178.15 180.71 1ujv h GLN 43 N 0.64 0.00 0.00 2.37 4.20 -1.99 -1.18 115.11 119.15 1ujv h GLN 43 Ca 0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1ujv h GLN 43 Cb 1.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1ujv h GLN 43 CO 0.10 0.00 -0.13 0.78 -0.67 0.00 0.00 178.83 178.91 1ujv h GLY 44 N 2.46 0.00 -5.73 3.46 0.00 -1.80 -3.39 103.07 98.07 1ujv h GLY 44 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 1ujv h GLY 44 CO 0.00 0.00 -0.84 0.00 0.00 0.00 0.00 176.54 175.70 1ujv n PRO 46 N 2.12 -0.28 0.00 0.00 -0.04 -0.97 -3.56 135.00 132.27 1ujv n PRO 46 Ca 0.21 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1ujv n PRO 46 Cb 0.54 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1ujv n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujv n GLY 47 N 0.60 0.96 3.59 0.55 0.00 -1.26 -4.18 105.19 105.45 1ujv n GLY 47 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1ujv n GLY 47 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujv n LEU 48 N 0.00 2.59 -4.28 0.99 0.00 -1.23 -5.03 117.00 110.04 1ujv n LEU 48 Ca 0.00 0.93 -0.15 0.00 0.00 0.00 0.00 56.01 56.79 1ujv n LEU 48 Cb 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 43.42 41.99 1ujv n LEU 48 CO 0.00 -1.82 -0.38 0.00 0.00 0.00 0.00 177.39 175.19 1ujv s GLU 50 N -3.79 3.50 0.00 0.00 2.02 -1.26 -2.94 118.70 116.23 1ujv s GLU 50 Ca 0.21 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.90 1ujv s GLU 50 Cb 0.04 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1ujv s GLU 50 CO 0.03 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1ujv n GLY 51 N 0.31 0.15 3.65 -1.39 0.00 -1.18 -4.95 105.19 101.77 1ujv n GLY 51 Ca 0.10 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.55 2.53 -4.50 1.61 8.00 -1.15 -4.71 116.55 117.78 1ujv n ASP 52 Ca 0.00 1.07 -0.43 0.00 0.71 0.00 0.00 54.79 56.15 1ujv n ASP 52 Cb 0.28 -1.28 -0.09 0.00 -0.02 0.00 0.00 41.12 40.01 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 1.78 4.75 0.34 0.64 1.98 -1.26 -2.09 118.68 124.82 1ujv s LEU 53 Ca 0.87 -0.55 -0.28 0.00 -2.89 0.00 0.00 54.13 51.28 1ujv s LEU 53 Cb -0.85 -2.43 -0.09 0.00 0.66 0.00 0.00 46.19 43.48 1ujv s LEU 53 CO 0.48 -0.57 1.18 -0.63 -1.89 0.00 0.00 176.35 174.93 1ujv s ILE 54 N 2.21 3.16 0.00 6.68 1.01 -0.43 -0.26 121.20 133.55 1ujv s ILE 54 Ca 0.13 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1ujv s ILE 54 Cb -0.17 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1ujv s ILE 54 CO 0.14 0.20 0.00 0.52 0.00 0.00 0.00 174.94 175.80 1ujv n VAL 55 N 0.66 0.00 -4.13 2.92 0.31 0.46 -4.40 118.33 114.14 1ujv n VAL 55 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 1ujv n VAL 55 Cb 0.45 -0.60 -0.10 0.00 -0.91 0.00 0.00 33.84 32.67 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 -1.75 0.73 -0.07 5.55 2.02 -0.78 -0.65 118.70 123.75 1ujv s GLU 56 Ca 0.00 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 53.85 1ujv s GLU 56 Cb 0.00 -0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.02 1ujv s GLU 56 CO 0.00 0.00 -0.07 0.42 0.02 0.00 0.00 175.26 175.63 1ujv s ILE 57 N -2.90 0.85 -1.47 -1.63 1.01 -0.72 -1.00 121.20 115.33 1ujv s ILE 57 Ca 0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 1ujv s ILE 57 Cb 0.00 -0.85 0.13 0.00 0.01 0.00 0.00 42.46 41.76 1ujv s ILE 57 CO -0.03 0.31 0.61 0.59 0.00 0.00 0.00 174.94 176.42 1ujv n ASN 58 N 4.38 -3.02 -3.47 3.58 3.02 -0.23 -0.44 115.26 119.08 1ujv n ASN 58 Ca -0.18 -0.74 -0.23 0.00 -0.03 0.00 0.00 54.58 53.40 1ujv n ASN 58 Cb 0.51 -2.51 0.05 0.00 -0.61 0.00 0.00 39.78 37.22 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 -3.97 -1.67 -4.19 3.52 6.02 -1.26 -5.05 117.38 110.78 1ujv n GLN 59 Ca 0.05 0.68 -0.18 0.00 -0.01 0.00 0.00 57.00 57.54 1ujv n GLN 59 Cb 0.50 -4.91 -0.16 0.00 1.02 0.00 0.00 30.24 26.69 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 -5.15 0.68 -0.23 -1.09 0.74 0.42 -5.15 119.66 109.89 1ujv s GLN 60 Ca 0.44 -0.15 -0.18 0.00 0.05 0.00 0.00 55.36 55.53 1ujv s GLN 60 Cb -0.11 -0.69 -0.03 0.00 1.10 0.00 0.00 33.01 33.28 1ujv s GLN 60 CO 0.80 0.01 0.50 1.21 -0.55 0.00 0.00 175.29 177.27 1ujv s ASN 61 N 0.48 6.49 0.00 6.67 3.04 -1.26 -1.76 114.94 128.60 1ujv s ASN 61 Ca -0.06 0.59 0.01 0.00 0.04 0.00 0.00 52.86 53.44 1ujv s ASN 61 Cb -0.10 -2.28 0.00 0.00 -1.54 0.00 0.00 41.25 37.34 1ujv s ASN 61 CO -0.00 -0.22 0.45 1.33 -3.04 0.00 0.00 177.10 175.63 1ujv n VAL 62 N 4.79 0.00 0.22 -5.21 0.24 0.17 -4.65 118.33 113.89 1ujv n VAL 62 Ca -0.05 -0.50 0.18 0.00 -2.04 0.00 0.00 64.34 61.93 1ujv n VAL 62 Cb 0.50 1.01 0.86 0.00 -1.47 0.00 0.00 33.84 34.74 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 0.11 0.00 -0.06 7.34 1.08 -1.76 -1.16 115.11 120.66 1ujv h GLN 63 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ujv h GLN 63 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1ujv h GLN 63 CO 0.00 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.97 1ujv n ASN 64 N -3.59 1.75 -5.01 1.46 4.13 -1.26 -4.82 115.26 107.92 1ujv n ASN 64 Ca 0.01 -1.61 -0.18 0.00 1.68 0.00 0.00 54.58 54.48 1ujv n ASN 64 Cb 0.34 -0.03 0.03 0.00 -1.54 0.00 0.00 39.78 38.58 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ujv s LEU 65 N -1.89 3.41 0.26 3.41 1.43 -0.44 -5.14 118.68 119.73 1ujv s LEU 65 Ca 0.36 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1ujv s LEU 65 Cb 0.20 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1ujv s LEU 65 CO 0.31 -1.03 0.10 -0.44 0.23 0.00 0.00 176.35 175.53 1ujv s SER 66 N -4.48 5.05 0.18 2.29 0.01 -1.26 -4.87 113.70 110.61 1ujv s SER 66 Ca 0.58 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 57.23 1ujv s SER 66 Cb -0.08 -1.14 0.13 0.00 0.21 0.00 0.00 66.02 65.14 1ujv s SER 66 CO 0.36 -0.02 1.64 -0.74 0.41 0.00 0.00 173.24 174.89 1ujv h HIS 67 N 1.68 -0.36 -0.10 2.43 2.76 -1.98 -0.89 115.15 118.70 1ujv h HIS 67 Ca -0.46 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 57.70 1ujv h HIS 67 Cb 1.24 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.42 1ujv h HIS 67 CO 0.62 -0.24 -0.17 1.15 -1.30 0.00 0.00 177.93 177.98 1ujv h THR 68 N -0.05 1.18 -0.31 6.26 2.02 -1.98 0.37 112.91 120.40 1ujv h THR 68 Ca 0.22 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1ujv h THR 68 Cb 0.39 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1ujv h THR 68 CO -0.49 0.24 0.05 -0.33 0.37 0.00 0.00 175.52 175.36 1ujv h GLU 69 N 0.14 0.51 -0.33 6.66 4.39 -1.59 -1.26 114.58 123.11 1ujv h GLU 69 Ca 0.03 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1ujv h GLU 69 Cb 0.40 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1ujv h GLU 69 CO 0.03 0.61 -0.33 0.28 -1.16 0.00 0.00 179.01 178.44 1ujv h VAL 70 N 0.33 1.28 -0.49 3.13 2.07 -0.75 -0.69 116.25 121.12 1ujv h VAL 70 Ca 0.09 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.17 1ujv h VAL 70 Cb 0.35 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1ujv h VAL 70 CO 0.01 0.48 0.28 0.58 0.02 0.00 0.00 177.57 178.93 1ujv h VAL 71 N 0.61 1.01 -0.14 2.57 2.07 -0.91 -0.74 116.25 120.72 1ujv h VAL 71 Ca 0.07 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 1ujv h VAL 71 Cb 0.85 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ujv h VAL 71 CO 0.07 0.10 -0.50 -0.78 0.02 0.00 0.00 177.57 176.48 1ujv h ASP 72 N 0.55 0.43 0.61 0.57 3.58 -0.41 0.25 116.42 122.00 1ujv h ASP 72 Ca 0.21 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1ujv h ASP 72 Cb 0.06 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.00 1ujv h ASP 72 CO -0.11 0.86 -0.29 0.40 -2.88 0.00 0.00 179.24 177.21 1ujv h ILE 73 N 0.31 0.40 0.00 2.25 2.04 -1.07 -2.04 117.51 119.39 1ujv h ILE 73 Ca 0.01 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ujv h ILE 73 Cb 1.00 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1ujv h ILE 73 CO 0.09 0.00 -0.06 -0.07 0.00 0.00 0.00 178.15 178.11 1ujv h LEU 74 N -0.84 0.00 -0.55 1.44 3.38 -0.73 -0.45 115.31 117.57 1ujv h LEU 74 Ca -0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1ujv h LEU 74 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1ujv h LEU 74 CO 0.14 0.06 -0.00 0.11 0.09 0.00 0.00 178.44 178.83 1ujv h LYS 75 N 0.00 0.97 -0.93 1.13 1.57 -0.31 -3.11 116.57 115.88 1ujv h LYS 75 Ca -0.00 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1ujv h LYS 75 Cb 0.12 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1ujv h LYS 75 CO 0.01 0.98 0.62 0.22 -0.57 0.00 0.00 179.45 180.70 1ujv h ASP 76 N 0.85 1.06 -2.37 0.86 1.82 -0.34 -3.45 116.42 114.85 1ujv h ASP 76 Ca 0.15 -0.02 -0.61 0.00 -0.39 0.00 0.00 57.03 56.16 1ujv h ASP 76 Cb 0.54 -0.26 0.11 0.00 0.68 0.00 0.00 39.33 40.40 1ujv h ASP 76 CO 0.03 0.75 0.11 0.00 -1.61 0.00 0.00 179.24 178.52 1ujv s PRO 78 N -1.45 4.08 0.30 0.00 0.04 -1.26 -4.96 135.00 131.74 1ujv s PRO 78 Ca 0.60 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 1ujv s PRO 78 Cb -0.72 -4.01 -0.12 0.00 0.04 0.00 0.00 34.50 29.69 1ujv s PRO 78 CO 0.59 -0.97 1.40 -0.89 0.04 0.00 0.00 177.00 177.17 1ujv n ILE 79 N 5.72 1.45 -1.32 0.56 2.08 -1.26 -2.35 119.36 124.24 1ujv n ILE 79 Ca 0.18 -0.36 -0.11 0.00 0.56 0.00 0.00 62.75 63.02 1ujv n ILE 79 Cb 0.43 -1.64 -0.05 0.00 -0.75 0.00 0.00 39.64 37.64 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 1.49 1.21 3.67 7.39 0.00 0.63 -4.95 105.19 114.63 1ujv n GLY 80 Ca 0.08 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.77 4.44 0.72 1.61 0.15 -0.99 -4.90 113.70 111.96 1ujv s SER 81 Ca 0.00 -0.83 -0.15 0.00 0.70 0.00 0.00 55.95 55.66 1ujv s SER 81 Cb 0.00 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 1ujv s SER 81 CO 0.00 -0.21 1.20 -1.61 1.20 0.00 0.00 173.24 173.82 1ujv s GLU 82 N -3.76 2.22 -0.00 5.44 8.01 -1.26 -2.02 118.70 127.33 1ujv s GLU 82 Ca 0.35 1.74 0.03 0.00 0.01 0.00 0.00 54.97 57.10 1ujv s GLU 82 Cb -0.02 -1.84 -0.01 0.00 -4.31 0.00 0.00 34.13 27.94 1ujv s GLU 82 CO 0.21 -1.77 -0.09 0.99 0.01 0.00 0.00 175.26 174.61 1ujv s THR 83 N -1.98 0.72 0.00 3.63 2.01 0.10 -4.85 115.64 115.28 1ujv s THR 83 Ca 0.74 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 62.09 1ujv s THR 83 Cb -0.29 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 1ujv s THR 83 CO 0.44 0.15 0.57 -0.44 -0.69 0.00 0.00 174.62 174.66 1ujv s SER 84 N -0.35 6.96 0.33 3.53 0.01 -1.26 -0.85 113.70 122.08 1ujv s SER 84 Ca 0.03 1.15 0.09 0.00 1.31 0.00 0.00 55.95 58.53 1ujv s SER 84 Cb -0.04 -2.35 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1ujv s SER 84 CO -0.00 0.14 -0.03 -0.76 0.41 0.00 0.00 173.24 172.99 1ujv s LEU 85 N -0.34 2.89 -0.02 2.44 1.02 -0.27 -1.07 118.68 123.34 1ujv s LEU 85 Ca 0.30 -1.04 0.03 0.00 0.02 0.00 0.00 54.13 53.44 1ujv s LEU 85 Cb -0.18 -1.25 -0.00 0.00 0.02 0.00 0.00 46.19 44.77 1ujv s LEU 85 CO 0.17 -0.20 -0.09 -0.63 0.02 0.00 0.00 176.35 175.62 1ujv s ILE 86 N -2.53 0.78 0.10 -0.59 1.01 -0.17 -2.04 121.20 117.76 1ujv s ILE 86 Ca 0.34 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1ujv s ILE 86 Cb -0.00 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1ujv s ILE 86 CO 0.18 0.24 -0.08 0.27 0.00 0.00 0.00 174.94 175.55 1ujv s ILE 87 N 0.02 0.81 -0.66 2.92 -5.25 0.75 -0.40 121.20 119.39 1ujv s ILE 87 Ca -0.00 -1.75 -0.20 0.00 -0.99 0.00 0.00 60.65 57.71 1ujv s ILE 87 Cb -0.07 -1.46 0.10 0.00 2.95 0.00 0.00 42.46 43.98 1ujv s ILE 87 CO 0.00 -0.70 0.85 -2.28 -1.79 0.00 0.00 174.94 171.02 1ujv s HIS 88 N -2.93 2.91 0.17 1.37 2.46 0.64 -0.83 115.29 119.09 1ujv s HIS 88 Ca 0.08 -0.89 -0.17 0.00 0.47 0.00 0.00 55.06 54.54 1ujv s HIS 88 Cb 0.00 -4.14 0.03 0.00 -0.13 0.00 0.00 32.58 28.35 1ujv s HIS 88 CO -0.02 -1.44 0.49 1.03 -2.47 0.00 0.00 174.74 172.33 1ujv s ARG 89 N 3.11 1.28 0.20 2.88 0.52 -1.26 -4.41 118.95 121.27 1ujv s ARG 89 Ca 0.18 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1ujv s ARG 89 Cb -0.19 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.79 1ujv s ARG 89 CO 0.05 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.25 1ujv n GLY 90 N -0.31 -0.39 0.00 -3.53 0.00 -1.26 -3.33 105.19 96.37 1ujv n GLY 90 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ujv n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujv n SER 91 N -3.15 0.00 -4.90 1.61 2.88 -1.26 -5.08 113.62 103.72 1ujv n SER 91 Ca 0.00 -0.26 -0.25 0.00 -1.33 0.00 0.00 58.87 57.03 1ujv n SER 91 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1ujv n SER 91 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujv s GLY 92 N -0.26 2.29 0.12 0.46 0.00 -1.26 -5.07 107.32 103.60 1ujv s GLY 92 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 1ujv s GLY 92 CO 0.00 -1.89 1.28 -0.56 0.00 0.00 0.00 173.10 171.93 1ujv h PRO 93 N 0.77 0.27 -5.88 2.90 0.13 -2.07 -3.46 132.00 124.66 1ujv h PRO 93 Ca -0.37 -0.34 -0.62 0.00 -0.87 0.00 0.00 66.00 63.80 1ujv h PRO 93 Cb 1.29 0.11 -0.12 0.00 0.13 0.00 0.00 31.00 32.41 1ujv h PRO 93 CO 0.57 1.08 0.49 -1.54 -0.23 0.00 0.00 178.00 178.37 1ujv s SER 94 N -7.03 6.39 0.22 1.44 1.04 -1.26 -4.84 113.70 109.67 1ujv s SER 94 Ca -0.04 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1ujv s SER 94 Cb 0.09 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1ujv s SER 94 CO 0.86 -1.08 0.00 -1.20 0.98 0.00 0.00 173.24 172.79 1ujv n SER 95 N 7.13 -2.99 0.00 7.02 7.64 -1.26 -5.25 113.62 125.91 1ujv n SER 95 Ca 0.03 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1ujv n SER 95 Cb 0.48 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64