#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhf s SER 2 N 0.00 -0.04 -0.05 1.61 0.01 -1.26 -5.08 113.70 108.89 1uhf s SER 2 Ca 0.00 -0.27 -0.14 0.00 1.31 0.00 0.00 55.95 56.85 1uhf s SER 2 Cb 0.00 0.31 -0.09 0.00 0.21 0.00 0.00 66.02 66.45 1uhf s SER 2 CO 0.00 -0.56 0.58 -1.28 0.41 0.00 0.00 173.24 172.39 1uhf h SER 3 N 3.45 -0.30 0.00 2.44 0.87 -2.13 -3.50 113.55 114.38 1uhf h SER 3 Ca -0.32 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1uhf h SER 3 Cb 1.19 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1uhf h SER 3 CO 0.46 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 1uhf n GLY 4 N 0.72 2.85 2.75 5.77 0.00 -1.26 -5.11 105.19 110.91 1uhf n GLY 4 Ca -0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 1uhf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhf n SER 5 N 0.00 -3.13 -4.15 1.61 7.64 -1.26 -5.11 113.62 109.22 1uhf n SER 5 Ca 0.00 -2.97 -0.35 0.00 1.01 0.00 0.00 58.87 56.56 1uhf n SER 5 Cb 0.00 1.73 -0.13 0.00 -1.01 0.00 0.00 64.21 64.80 1uhf n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uhf s SER 6 N -0.15 5.01 0.00 6.43 1.04 -1.26 -5.06 113.70 119.70 1uhf s SER 6 Ca 0.30 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1uhf s SER 6 Cb 0.10 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1uhf s SER 6 CO -0.13 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1uhf n GLY 7 N 4.60 1.38 0.00 7.32 0.00 -1.26 -5.16 105.19 112.07 1uhf n GLY 7 Ca -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1uhf n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhf n GLY 8 N 5.00 1.69 3.26 -0.02 0.00 -1.26 -4.91 105.19 108.95 1uhf n GLY 8 Ca 0.00 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 1uhf n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uhf s GLU 9 N -2.00 3.25 -0.24 1.61 2.02 0.50 -4.94 118.70 118.90 1uhf s GLU 9 Ca 0.00 -0.71 -0.28 0.00 0.02 0.00 0.00 54.97 54.00 1uhf s GLU 9 Cb 0.00 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1uhf s GLU 9 CO 0.00 -0.08 0.99 -1.21 0.02 0.00 0.00 175.26 174.98 1uhf s GLU 10 N 1.08 4.23 0.08 1.61 8.01 -1.26 -0.15 118.70 132.30 1uhf s GLU 10 Ca -0.00 1.25 0.06 0.00 0.01 0.00 0.00 54.97 56.29 1uhf s GLU 10 Cb -0.15 -3.65 -0.03 0.00 -4.31 0.00 0.00 34.13 26.00 1uhf s GLU 10 CO -0.03 -0.61 -0.17 0.71 0.01 0.00 0.00 175.26 175.17 1uhf s TYR 11 N 3.13 1.45 -0.10 1.61 2.02 -0.18 -1.09 117.35 124.19 1uhf s TYR 11 Ca 0.42 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1uhf s TYR 11 Cb -0.15 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1uhf s TYR 11 CO 0.07 0.11 0.03 0.42 -1.57 0.00 0.00 175.55 174.60 1uhf s ILE 12 N -1.15 4.52 -0.26 2.71 -1.09 0.28 -1.13 121.20 125.06 1uhf s ILE 12 Ca 0.02 -0.17 -0.29 0.00 -2.23 0.00 0.00 60.65 57.98 1uhf s ILE 12 Cb -0.10 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1uhf s ILE 12 CO 0.03 0.60 1.24 0.00 -1.23 0.00 0.00 174.94 175.58 1uhf s ALA 13 N -0.84 3.48 0.07 9.38 0.00 -0.76 0.43 121.76 133.53 1uhf s ALA 13 Ca 0.13 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1uhf s ALA 13 Cb -0.12 -3.71 -0.19 0.00 0.00 0.00 0.00 23.12 19.10 1uhf s ALA 13 CO 0.02 -1.53 1.23 -0.07 0.00 0.00 0.00 175.76 175.42 1uhf h LEU 14 N 10.38 0.86 -8.28 0.00 3.38 -1.87 -0.80 115.31 118.98 1uhf h LEU 14 Ca -0.25 -0.68 -0.25 0.00 0.09 0.00 0.00 57.88 56.79 1uhf h LEU 14 Cb 1.09 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 41.40 1uhf h LEU 14 CO 1.01 1.41 -0.72 -0.31 0.09 0.00 0.00 178.44 179.93 1uhf s TYR 15 N -3.53 0.75 -0.23 1.13 2.02 -1.26 -4.77 117.35 111.44 1uhf s TYR 15 Ca -0.11 -0.68 -0.29 0.00 -0.37 0.00 0.00 57.07 55.62 1uhf s TYR 15 Cb 0.07 -0.44 -0.01 0.00 -0.40 0.00 0.00 41.96 41.18 1uhf s TYR 15 CO 0.89 -0.12 1.31 -1.25 -1.57 0.00 0.00 175.55 174.82 1uhf s PRO 16 N -2.54 4.04 -0.25 -1.71 0.04 -1.26 -4.11 135.00 129.21 1uhf s PRO 16 Ca -0.01 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1uhf s PRO 16 Cb -0.03 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.63 1uhf s PRO 16 CO -0.02 -0.96 0.09 -0.47 0.04 0.00 0.00 177.00 175.69 1uhf s TYR 17 N 4.07 3.13 -0.19 0.56 6.14 -0.63 -4.87 117.35 125.56 1uhf s TYR 17 Ca 0.57 -0.26 0.01 0.00 0.64 0.00 0.00 57.07 58.03 1uhf s TYR 17 Cb -0.20 -2.25 0.03 0.00 0.42 0.00 0.00 41.96 39.97 1uhf s TYR 17 CO 0.20 -0.26 -0.13 -1.54 0.64 0.00 0.00 175.55 174.45 1uhf s SER 18 N 1.51 3.28 0.24 4.32 1.04 -1.26 -2.70 113.70 120.13 1uhf s SER 18 Ca 0.06 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.75 1uhf s SER 18 Cb -0.15 -1.31 -0.05 0.00 0.10 0.00 0.00 66.02 64.61 1uhf s SER 18 CO 0.05 -0.10 -0.07 -0.55 0.98 0.00 0.00 173.24 173.55 1uhf s SER 19 N 1.36 2.41 -0.27 7.02 0.15 -1.26 -5.05 113.70 118.07 1uhf s SER 19 Ca 0.01 -1.13 0.08 0.00 0.70 0.00 0.00 55.95 55.61 1uhf s SER 19 Cb -0.15 -0.11 0.45 0.00 -1.71 0.00 0.00 66.02 64.50 1uhf s SER 19 CO -0.09 -0.33 1.20 1.33 1.20 0.00 0.00 173.24 176.54 1uhf n VAL 20 N -0.46 2.42 -3.86 4.45 0.24 -1.26 -4.95 118.33 114.91 1uhf n VAL 20 Ca -0.06 -3.94 -0.36 0.00 -2.04 0.00 0.00 64.34 57.94 1uhf n VAL 20 Cb 0.62 -0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 32.07 1uhf n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1uhf s GLU 21 N -3.49 3.47 0.00 7.34 2.02 -1.26 -4.97 118.70 121.81 1uhf s GLU 21 Ca 0.47 -0.12 -0.04 0.00 0.02 0.00 0.00 54.97 55.30 1uhf s GLU 21 Cb 0.40 -3.17 -0.19 0.00 0.10 0.00 0.00 34.13 31.26 1uhf s GLU 21 CO 0.01 0.75 2.79 -0.35 0.02 0.00 0.00 175.26 178.48 1uhf n PRO 22 N 1.78 1.47 0.00 0.39 -0.04 -1.26 -2.74 135.00 134.60 1uhf n PRO 22 Ca -0.18 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 1uhf n PRO 22 Cb 0.54 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1uhf n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uhf n GLY 23 N 2.59 0.00 2.90 0.55 0.00 -1.26 -5.13 105.19 104.84 1uhf n GLY 23 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 1uhf n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uhf s ASP 24 N 0.00 2.44 -0.46 1.61 1.11 -1.11 -2.09 116.67 118.17 1uhf s ASP 24 Ca 0.00 -0.44 -0.27 0.00 0.18 0.00 0.00 52.55 52.01 1uhf s ASP 24 Cb 0.00 -0.87 -0.03 0.00 1.07 0.00 0.00 42.92 43.09 1uhf s ASP 24 CO 0.00 -0.14 1.96 -0.22 1.18 0.00 0.00 175.17 177.95 1uhf s LEU 25 N 1.68 3.40 -0.08 1.23 2.96 -0.05 -4.71 118.68 123.10 1uhf s LEU 25 Ca 0.03 0.93 -0.26 0.00 -0.22 0.00 0.00 54.13 54.62 1uhf s LEU 25 Cb -0.14 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 1uhf s LEU 25 CO -0.08 -2.19 0.82 0.42 -1.32 0.00 0.00 176.35 173.99 1uhf s THR 26 N 8.78 4.95 0.28 3.68 -4.23 -1.26 -4.80 115.64 123.04 1uhf s THR 26 Ca 0.80 1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 62.85 1uhf s THR 26 Cb -0.18 -4.15 0.01 0.00 1.34 0.00 0.00 72.50 69.52 1uhf s THR 26 CO 0.27 0.16 0.56 0.72 -0.54 0.00 0.00 174.62 175.79 1uhf s PHE 27 N 1.28 0.35 0.39 3.99 -0.12 -1.10 -5.07 117.98 117.70 1uhf s PHE 27 Ca 0.42 -0.74 0.08 0.00 -0.05 0.00 0.00 56.93 56.63 1uhf s PHE 27 Cb -0.18 0.32 -0.07 0.00 -0.63 0.00 0.00 43.02 42.46 1uhf s PHE 27 CO 0.19 -1.13 0.03 0.95 -0.05 0.00 0.00 175.22 175.21 1uhf s THR 28 N -3.64 2.22 0.10 -4.49 -4.23 -1.26 -1.60 115.64 102.74 1uhf s THR 28 Ca 0.21 -1.97 -0.31 0.00 -1.18 0.00 0.00 61.69 58.44 1uhf s THR 28 Cb -0.02 -2.90 -0.09 0.00 1.34 0.00 0.00 72.50 70.82 1uhf s THR 28 CO 0.11 -0.07 1.69 -0.70 -0.54 0.00 0.00 174.62 175.10 1uhf s GLU 29 N -3.74 4.18 0.00 3.99 -6.30 -1.26 -1.93 118.70 113.65 1uhf s GLU 29 Ca 0.36 2.42 0.00 0.00 -2.50 0.00 0.00 54.97 55.24 1uhf s GLU 29 Cb 0.06 -3.50 0.00 0.00 0.00 0.00 0.00 34.13 30.69 1uhf s GLU 29 CO 0.19 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1uhf n GLY 30 N 4.02 1.77 3.62 -1.50 0.00 -0.31 -4.92 105.19 107.87 1uhf n GLY 30 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1uhf n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uhf n GLU 31 N -0.14 0.69 -3.49 1.61 -0.58 -0.81 -4.58 120.64 113.33 1uhf n GLU 31 Ca 0.00 0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 1uhf n GLU 31 Cb 0.00 -2.22 -0.10 0.00 -0.57 0.00 0.00 31.44 28.55 1uhf n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1uhf s GLU 32 N -3.13 2.89 -0.19 3.49 2.02 -1.26 -1.83 118.70 120.69 1uhf s GLU 32 Ca 0.75 -1.19 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1uhf s GLU 32 Cb -0.37 -3.94 -0.05 0.00 0.10 0.00 0.00 34.13 29.87 1uhf s GLU 32 CO 0.48 -0.85 0.16 0.42 0.02 0.00 0.00 175.26 175.50 1uhf s ILE 33 N 1.61 5.39 -0.51 -1.63 1.01 -0.29 -4.72 121.20 122.05 1uhf s ILE 33 Ca 0.04 0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 1uhf s ILE 33 Cb -0.21 -3.50 0.11 0.00 0.01 0.00 0.00 42.46 38.87 1uhf s ILE 33 CO 0.07 0.42 0.45 -0.22 0.00 0.00 0.00 174.94 175.67 1uhf s LEU 34 N 0.42 5.95 0.22 2.97 2.96 0.57 -1.02 118.68 130.76 1uhf s LEU 34 Ca 0.10 -1.64 -0.27 0.00 -0.22 0.00 0.00 54.13 52.10 1uhf s LEU 34 Cb -0.11 -2.19 -0.09 0.00 0.50 0.00 0.00 46.19 44.30 1uhf s LEU 34 CO -0.01 -0.77 0.87 -0.69 -1.32 0.00 0.00 176.35 174.43 1uhf s VAL 35 N 1.60 4.23 0.00 1.68 1.01 0.79 -1.26 120.40 128.45 1uhf s VAL 35 Ca 0.03 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1uhf s VAL 35 Cb -0.28 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1uhf s VAL 35 CO 0.04 0.46 0.00 0.35 0.00 0.00 0.00 175.10 175.95 1uhf n THR 36 N 1.39 0.00 -4.05 3.92 -2.24 -1.06 0.19 114.28 112.42 1uhf n THR 36 Ca -0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1uhf n THR 36 Cb 0.48 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 1uhf n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1uhf s GLN 37 N -1.65 3.46 -0.37 -0.78 -0.21 -1.23 -4.94 119.66 113.94 1uhf s GLN 37 Ca 0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 55.36 54.76 1uhf s GLN 37 Cb 0.00 -2.99 0.09 0.00 1.00 0.00 0.00 33.01 31.11 1uhf s GLN 37 CO 0.00 -0.09 0.13 0.15 -2.12 0.00 0.00 175.29 173.36 1uhf s LYS 38 N 1.21 2.08 -0.40 2.91 1.02 -1.26 0.15 119.74 125.44 1uhf s LYS 38 Ca 0.03 -1.66 -0.05 0.00 0.02 0.00 0.00 55.97 54.31 1uhf s LYS 38 Cb -0.14 -3.43 0.09 0.00 -0.52 0.00 0.00 37.83 33.83 1uhf s LYS 38 CO -0.01 -0.93 0.20 0.34 -0.92 0.00 0.00 175.35 174.04 1uhf s ASP 39 N 1.56 5.35 0.87 2.83 -1.08 -1.09 -4.99 116.67 120.12 1uhf s ASP 39 Ca 0.05 -1.76 0.00 0.00 -0.52 0.00 0.00 52.55 50.32 1uhf s ASP 39 Cb -0.21 -1.87 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1uhf s ASP 39 CO -0.04 -0.51 0.00 0.61 0.52 0.00 0.00 175.17 175.75 1uhf n GLY 40 N 4.72 1.55 0.15 2.66 0.00 -1.26 -3.34 105.19 109.68 1uhf n GLY 40 Ca -0.07 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1uhf n GLY 40 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uhf h GLU 41 N 0.00 0.56 -6.09 1.61 4.39 -2.00 -3.44 114.58 109.62 1uhf h GLU 41 Ca 0.00 -0.92 -0.56 0.00 0.34 0.00 0.00 59.36 58.22 1uhf h GLU 41 Cb 0.00 0.33 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1uhf h GLU 41 CO 0.00 1.43 0.06 -1.58 -1.16 0.00 0.00 179.01 177.76 1uhf s TRP 42 N -2.67 3.64 0.21 4.33 0.52 -1.21 -3.83 118.94 119.92 1uhf s TRP 42 Ca -0.09 1.26 0.10 0.00 0.02 0.00 0.00 56.10 57.39 1uhf s TRP 42 Cb 0.04 -2.73 -0.04 0.00 -1.15 0.00 0.00 33.47 29.59 1uhf s TRP 42 CO 0.95 0.21 -0.12 -1.58 0.02 0.00 0.00 176.95 176.43 1uhf s TRP 43 N 0.31 2.53 -0.34 -1.98 0.51 -1.22 -2.65 118.94 116.11 1uhf s TRP 43 Ca 0.35 -0.26 -0.21 0.00 -2.12 0.00 0.00 56.10 53.86 1uhf s TRP 43 Cb -0.18 -1.20 0.00 0.00 -0.81 0.00 0.00 33.47 31.28 1uhf s TRP 43 CO 0.18 0.56 0.67 0.99 -0.51 0.00 0.00 176.95 178.84 1uhf s THR 44 N -1.94 4.87 0.39 2.01 2.01 0.39 -3.17 115.64 120.20 1uhf s THR 44 Ca 0.26 0.76 0.08 0.00 0.31 0.00 0.00 61.69 63.09 1uhf s THR 44 Cb -0.08 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1uhf s THR 44 CO 0.15 -0.28 0.44 -0.83 -0.69 0.00 0.00 174.62 173.42 1uhf s GLY 45 N 1.74 1.94 0.02 4.40 0.00 -0.92 -2.56 107.32 111.94 1uhf s GLY 45 Ca 0.26 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.21 1uhf s GLY 45 CO 0.14 -1.56 0.10 -0.45 0.00 0.00 0.00 173.10 171.33 1uhf s SER 46 N -4.19 0.10 -0.17 1.64 0.15 -0.39 -2.82 113.70 108.02 1uhf s SER 46 Ca 0.49 -0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.75 1uhf s SER 46 Cb -0.07 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.49 1uhf s SER 46 CO 0.30 -0.40 0.08 -0.63 1.20 0.00 0.00 173.24 173.79 1uhf s ILE 47 N -1.74 0.06 0.00 6.45 1.01 -0.62 -0.32 121.20 126.05 1uhf s ILE 47 Ca -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1uhf s ILE 47 Cb -0.06 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1uhf s ILE 47 CO -0.00 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1uhf n GLY 48 N 5.22 0.22 0.82 6.18 0.00 -1.26 -0.41 105.19 115.96 1uhf n GLY 48 Ca -0.07 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1uhf n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uhf n ASP 49 N 1.06 -0.27 -4.63 1.61 8.00 -1.26 -5.12 116.55 115.94 1uhf n ASP 49 Ca 0.00 -1.63 -0.32 0.00 0.71 0.00 0.00 54.79 53.55 1uhf n ASP 49 Cb 0.00 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 1uhf n ASP 49 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1uhf s ARG 50 N 0.00 2.55 -0.02 -1.24 0.52 0.45 -5.12 118.95 116.09 1uhf s ARG 50 Ca 0.04 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.54 1uhf s ARG 50 Cb 0.05 -2.52 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 1uhf s ARG 50 CO -0.02 0.59 -0.13 -1.54 0.02 0.00 0.00 175.30 174.22 1uhf s SER 51 N -1.69 1.57 0.01 0.23 1.04 -1.26 -1.59 113.70 112.01 1uhf s SER 51 Ca 0.20 -0.24 -0.28 0.00 0.48 0.00 0.00 55.95 56.11 1uhf s SER 51 Cb -0.11 -0.27 0.09 0.00 0.10 0.00 0.00 66.02 65.83 1uhf s SER 51 CO 0.11 0.14 1.25 -0.83 0.98 0.00 0.00 173.24 174.89 1uhf s GLY 52 N -0.15 -0.09 0.20 7.32 0.00 -1.13 -4.67 107.32 108.80 1uhf s GLY 52 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1uhf s GLY 52 CO 0.00 5.25 0.27 -0.26 0.00 0.00 0.00 173.10 178.36 1uhf s ILE 53 N -2.04 5.04 0.16 0.90 -4.36 -0.89 -2.16 121.20 117.85 1uhf s ILE 53 Ca 0.29 -0.96 -0.23 0.00 -0.26 0.00 0.00 60.65 59.48 1uhf s ILE 53 Cb -0.01 -3.66 0.06 0.00 1.25 0.00 0.00 42.46 40.11 1uhf s ILE 53 CO 0.00 -0.21 0.67 0.72 0.24 0.00 0.00 174.94 176.36 1uhf s PHE 54 N -1.88 -0.44 -0.17 1.37 -0.12 -1.19 -0.87 117.98 114.69 1uhf s PHE 54 Ca 0.33 0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 57.11 1uhf s PHE 54 Cb -0.10 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1uhf s PHE 54 CO 0.27 -0.88 1.27 -1.25 -0.05 0.00 0.00 175.22 174.59 1uhf s PRO 55 N -3.68 4.22 0.29 1.99 0.04 -1.26 -3.39 135.00 133.21 1uhf s PRO 55 Ca 0.04 1.67 0.23 0.00 0.04 0.00 0.00 61.00 62.97 1uhf s PRO 55 Cb -0.02 -3.77 1.07 0.00 0.04 0.00 0.00 34.50 31.82 1uhf s PRO 55 CO -0.08 -0.72 1.69 -1.13 0.04 0.00 0.00 177.00 176.80 1uhf n SER 56 N 6.65 0.63 -0.24 6.66 3.41 -1.25 -0.41 113.62 129.07 1uhf n SER 56 Ca 0.14 0.71 0.15 0.00 -0.26 0.00 0.00 58.87 59.61 1uhf n SER 56 Cb 0.45 -0.82 0.70 0.00 -0.26 0.00 0.00 64.21 64.28 1uhf n SER 56 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uhf n ASN 57 N -2.26 0.77 -0.76 4.04 5.15 -1.26 -3.39 115.26 117.55 1uhf n ASN 57 Ca 0.01 -1.19 0.03 0.00 -0.60 0.00 0.00 54.58 52.83 1uhf n ASN 57 Cb 0.14 -0.01 0.20 0.00 -0.53 0.00 0.00 39.78 39.59 1uhf n ASN 57 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1uhf n TYR 58 N -0.44 0.31 -3.81 1.20 4.02 0.46 -4.99 117.16 113.92 1uhf n TYR 58 Ca 0.20 -1.54 -0.12 0.00 -0.01 0.00 0.00 57.90 56.43 1uhf n TYR 58 Cb 0.25 -0.31 -0.12 0.00 -0.02 0.00 0.00 39.34 39.14 1uhf n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1uhf s VAL 59 N -3.27 0.01 0.19 -0.72 -7.23 -1.22 -2.85 120.40 105.31 1uhf s VAL 59 Ca 0.40 -0.09 0.11 0.00 -1.81 0.00 0.00 61.98 60.59 1uhf s VAL 59 Cb 0.38 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.96 1uhf s VAL 59 CO -0.05 -0.05 -0.21 -1.59 -0.31 0.00 0.00 175.10 172.89 1uhf s LYS 60 N -0.09 1.62 -0.22 4.82 -2.85 0.17 -4.89 119.74 118.30 1uhf s LYS 60 Ca -0.02 -1.47 -0.29 0.00 -1.00 0.00 0.00 55.97 53.19 1uhf s LYS 60 Cb -0.02 -1.91 -0.01 0.00 -2.06 0.00 0.00 37.83 33.83 1uhf s LYS 60 CO 0.01 0.41 1.31 -1.25 0.10 0.00 0.00 175.35 175.92 1uhf s PRO 61 N -2.68 4.08 -0.72 1.78 0.04 -1.26 0.99 135.00 137.23 1uhf s PRO 61 Ca 0.21 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 1uhf s PRO 61 Cb -0.08 -3.83 -0.15 0.00 0.04 0.00 0.00 34.50 30.48 1uhf s PRO 61 CO 0.11 -0.90 2.47 1.17 0.04 0.00 0.00 177.00 179.88 1uhf n LYS 62 N 6.95 0.59 -3.59 4.56 4.81 -0.25 -4.77 118.16 126.47 1uhf n LYS 62 Ca 0.15 -0.15 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1uhf n LYS 62 Cb 0.45 -2.76 -0.03 0.00 0.02 0.00 0.00 35.03 32.72 1uhf n LYS 62 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1uhf s ASP 63 N 10.07 -0.18 0.20 3.14 1.01 -1.26 -4.99 116.67 124.66 1uhf s ASP 63 Ca 1.10 0.08 -0.10 0.00 0.71 0.00 0.00 52.55 54.34 1uhf s ASP 63 Cb -0.51 0.17 -0.01 0.00 1.01 0.00 0.00 42.92 43.58 1uhf s ASP 63 CO 0.32 -0.24 0.35 -0.55 0.21 0.00 0.00 175.17 175.25 1uhf s SER 64 N -1.78 -0.01 0.00 0.27 0.15 -1.26 -5.00 113.70 106.06 1uhf s SER 64 Ca 0.07 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1uhf s SER 64 Cb -0.01 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1uhf s SER 64 CO -0.05 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1uhf n GLY 65 N -0.29 4.05 0.10 9.45 0.00 -1.26 -5.05 105.19 112.19 1uhf n GLY 65 Ca -0.04 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1uhf n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhf h PRO 66 N 0.00 -0.11 -5.00 1.61 0.13 -2.10 -3.44 132.00 123.10 1uhf h PRO 66 Ca 0.00 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.48 1uhf h PRO 66 Cb 0.00 0.02 -0.35 0.00 0.13 0.00 0.00 31.00 30.80 1uhf h PRO 66 CO 0.00 0.43 -0.86 0.45 -0.23 0.00 0.00 178.00 177.80 1uhf s SER 67 N -5.70 3.03 0.13 1.44 0.15 -1.26 -5.11 113.70 106.38 1uhf s SER 67 Ca -0.13 -0.61 -0.29 0.00 0.70 0.00 0.00 55.95 55.62 1uhf s SER 67 Cb -0.00 -1.41 -0.07 0.00 -1.71 0.00 0.00 66.02 62.83 1uhf s SER 67 CO 0.51 0.00 0.91 -0.55 1.20 0.00 0.00 173.24 175.31 1uhf s SER 68 N 1.26 7.47 0.00 5.45 0.15 -1.26 -5.08 113.70 121.69 1uhf s SER 68 Ca 0.03 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1uhf s SER 68 Cb -0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1uhf s SER 68 CO -0.11 0.02 0.32 0.61 1.20 0.00 0.00 173.24 175.28