#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhf n SER 2 N 0.00 -7.90 -3.34 1.61 2.88 -1.26 -4.93 113.62 100.68 1uhf n SER 2 Ca 0.00 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.53 1uhf n SER 2 Cb 0.00 -4.49 -0.07 0.00 -0.75 0.00 0.00 64.21 58.90 1uhf n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhf s SER 3 N -7.10 0.80 -0.19 -3.46 0.01 -1.26 -5.13 113.70 97.38 1uhf s SER 3 Ca 0.00 -0.43 -0.13 0.00 1.31 0.00 0.00 55.95 56.69 1uhf s SER 3 Cb 0.00 0.90 -0.05 0.00 0.21 0.00 0.00 66.02 67.09 1uhf s SER 3 CO 0.00 -0.36 0.27 -0.83 0.41 0.00 0.00 173.24 172.74 1uhf s GLY 4 N 2.48 2.12 -0.13 3.44 0.00 -1.26 -5.07 107.32 108.90 1uhf s GLY 4 Ca 0.10 -0.57 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 1uhf s GLY 4 CO -0.29 0.48 0.39 -0.45 0.00 0.00 0.00 173.10 173.23 1uhf s SER 5 N 0.69 6.58 0.22 1.64 0.15 -1.26 -5.06 113.70 116.66 1uhf s SER 5 Ca 0.14 0.69 -0.09 0.00 0.70 0.00 0.00 55.95 57.39 1uhf s SER 5 Cb -0.13 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 1uhf s SER 5 CO 0.04 0.06 0.36 -0.55 1.20 0.00 0.00 173.24 174.35 1uhf s SER 6 N 0.48 -0.01 0.00 5.45 0.15 -1.26 -5.17 113.70 113.34 1uhf s SER 6 Ca 0.22 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1uhf s SER 6 Cb -0.14 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1uhf s SER 6 CO 0.08 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1uhf n GLY 7 N -0.33 1.99 6.73 9.45 0.00 -1.26 -5.16 105.19 116.62 1uhf n GLY 7 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.25 -0.51 3.34 -0.02 0.00 -1.26 -4.65 105.19 101.85 1uhf n GLY 8 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.07 3.43 -0.29 1.61 2.02 0.50 -4.89 118.70 121.00 1uhf s GLU 9 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1uhf s GLU 9 Cb 0.00 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.27 1uhf s GLU 9 CO 0.00 -0.11 1.06 -1.21 0.02 0.00 0.00 175.26 175.03 1uhf s GLU 10 N 1.24 4.13 0.07 1.61 8.01 -1.26 0.52 118.70 133.02 1uhf s GLU 10 Ca 0.03 1.17 0.06 0.00 0.01 0.00 0.00 54.97 56.24 1uhf s GLU 10 Cb -0.14 -3.70 -0.03 0.00 -4.31 0.00 0.00 34.13 25.94 1uhf s GLU 10 CO -0.01 -0.81 -0.17 0.71 0.01 0.00 0.00 175.26 174.99 1uhf s TYR 11 N 3.50 1.43 -0.12 1.61 1.51 0.81 -0.93 117.35 125.16 1uhf s TYR 11 Ca 0.45 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1uhf s TYR 11 Cb -0.13 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1uhf s TYR 11 CO 0.12 0.09 -0.02 0.42 -1.11 0.00 0.00 175.55 175.06 1uhf s ILE 12 N -1.09 4.12 -0.31 2.71 -1.09 0.15 0.30 121.20 126.00 1uhf s ILE 12 Ca 0.02 -0.30 -0.29 0.00 -2.23 0.00 0.00 60.65 57.86 1uhf s ILE 12 Cb -0.09 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 1uhf s ILE 12 CO 0.02 0.54 1.48 0.00 -1.23 0.00 0.00 174.94 175.76 1uhf s ALA 13 N -0.23 3.20 0.29 9.38 0.00 -0.97 0.18 121.76 133.61 1uhf s ALA 13 Ca 0.05 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1uhf s ALA 13 Cb -0.13 -3.87 0.45 0.00 0.00 0.00 0.00 23.12 19.57 1uhf s ALA 13 CO 0.02 -2.09 1.80 -0.07 0.00 0.00 0.00 175.76 175.43 1uhf h LEU 14 N 11.79 0.63 -8.21 0.00 3.38 -1.86 0.47 115.31 121.50 1uhf h LEU 14 Ca -0.30 -0.14 -0.23 0.00 0.09 0.00 0.00 57.88 57.30 1uhf h LEU 14 Cb 1.12 -0.17 -0.19 0.00 0.09 0.00 0.00 40.66 41.52 1uhf h LEU 14 CO 1.04 0.71 -0.71 -0.31 0.09 0.00 0.00 178.44 179.26 1uhf s TYR 15 N -4.93 0.64 -0.32 1.13 2.02 -1.26 -4.78 117.35 109.84 1uhf s TYR 15 Ca -0.08 -0.67 -0.29 0.00 -0.37 0.00 0.00 57.07 55.66 1uhf s TYR 15 Cb 0.15 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.32 1uhf s TYR 15 CO 0.79 -0.15 1.36 -1.25 -1.57 0.00 0.00 175.55 174.74 1uhf s PRO 16 N -2.35 3.80 -0.28 -1.71 0.04 -1.26 -4.06 135.00 129.19 1uhf s PRO 16 Ca -0.04 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.12 1uhf s PRO 16 Cb -0.04 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 1uhf s PRO 16 CO -0.02 -1.27 0.09 -0.47 0.04 0.00 0.00 177.00 175.37 1uhf s TYR 17 N 4.76 3.12 -0.27 0.56 5.04 -0.30 -4.87 117.35 125.40 1uhf s TYR 17 Ca 0.59 -0.67 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1uhf s TYR 17 Cb -0.17 -2.27 0.03 0.00 0.35 0.00 0.00 41.96 39.91 1uhf s TYR 17 CO 0.26 -0.47 -0.02 -1.54 -1.34 0.00 0.00 175.55 172.45 1uhf s SER 18 N 1.57 4.59 -0.17 4.32 1.04 -1.26 -2.45 113.70 121.34 1uhf s SER 18 Ca 0.05 -0.94 -0.07 0.00 0.48 0.00 0.00 55.95 55.46 1uhf s SER 18 Cb -0.16 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 1uhf s SER 18 CO 0.04 -0.17 0.06 -0.94 0.98 0.00 0.00 173.24 173.20 1uhf s SER 19 N 1.34 5.60 0.51 7.02 1.04 -1.26 -4.97 113.70 122.98 1uhf s SER 19 Ca -0.01 0.09 0.30 0.00 0.48 0.00 0.00 55.95 56.82 1uhf s SER 19 Cb -0.17 -1.93 1.15 0.00 0.10 0.00 0.00 66.02 65.17 1uhf s SER 19 CO -0.02 0.20 1.91 -0.37 0.98 0.00 0.00 173.24 175.93 1uhf h VAL 20 N 4.79 0.14 -3.15 5.02 -1.51 -1.98 -3.43 116.25 116.13 1uhf h VAL 20 Ca -0.38 -0.72 -0.59 0.00 -1.23 0.00 0.00 66.70 63.78 1uhf h VAL 20 Cb 1.17 1.63 -0.05 0.00 -2.13 0.00 0.00 31.29 31.91 1uhf h VAL 20 CO 0.69 0.06 -0.10 -1.61 -1.23 0.00 0.00 177.57 175.37 1uhf s GLU 21 N -3.62 4.09 0.00 5.19 0.41 -1.26 -4.95 118.70 118.56 1uhf s GLU 21 Ca 0.02 0.61 0.23 0.00 -0.41 0.00 0.00 54.97 55.42 1uhf s GLU 21 Cb 0.09 -3.22 1.38 0.00 -1.78 0.00 0.00 34.13 30.59 1uhf s GLU 21 CO 0.58 0.66 1.76 -0.35 -0.49 0.00 0.00 175.26 177.41 1uhf n PRO 22 N 1.73 0.75 -0.07 0.39 -0.04 -1.26 -3.23 135.00 133.27 1uhf n PRO 22 Ca -0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.21 1uhf n PRO 22 Cb 0.51 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1uhf n PRO 22 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1uhf h GLY 23 N 3.79 -0.00 -4.22 0.55 0.00 -1.94 -3.45 103.07 97.80 1uhf h GLY 23 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1uhf h GLY 23 CO 0.00 -0.00 0.41 -0.35 0.00 0.00 0.00 176.54 176.60 1uhf s ASP 24 N -6.18 7.36 0.21 0.19 -1.08 -1.20 -2.46 116.67 113.52 1uhf s ASP 24 Ca -0.18 1.85 -0.31 0.00 -0.52 0.00 0.00 52.55 53.39 1uhf s ASP 24 Cb -0.03 -2.59 -0.10 0.00 -1.46 0.00 0.00 42.92 38.74 1uhf s ASP 24 CO 0.67 -0.20 1.55 -0.22 0.52 0.00 0.00 175.17 177.50 1uhf s LEU 25 N 0.30 4.37 -0.23 -1.34 2.96 0.28 -4.70 118.68 120.33 1uhf s LEU 25 Ca 0.50 2.72 -0.10 0.00 -0.22 0.00 0.00 54.13 57.03 1uhf s LEU 25 Cb -0.25 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.79 1uhf s LEU 25 CO 0.30 -0.82 0.14 0.42 -1.32 0.00 0.00 176.35 175.07 1uhf s THR 26 N 0.63 5.19 0.17 3.68 -4.23 -1.26 -4.74 115.64 115.07 1uhf s THR 26 Ca 0.66 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 61.11 1uhf s THR 26 Cb -0.45 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.02 1uhf s THR 26 CO 0.37 0.37 0.50 0.72 -0.54 0.00 0.00 174.62 176.04 1uhf s PHE 27 N 0.97 -0.18 0.43 3.99 -0.12 -1.03 -5.06 117.98 116.97 1uhf s PHE 27 Ca 0.07 -0.14 0.07 0.00 -0.05 0.00 0.00 56.93 56.88 1uhf s PHE 27 Cb -0.13 0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 1uhf s PHE 27 CO 0.03 -0.86 0.33 0.95 -0.05 0.00 0.00 175.22 175.63 1uhf s THR 28 N -3.84 2.45 0.13 -4.49 -4.23 -1.26 -1.15 115.64 103.24 1uhf s THR 28 Ca 0.07 -1.45 -0.31 0.00 -1.18 0.00 0.00 61.69 58.82 1uhf s THR 28 Cb -0.00 -2.90 -0.09 0.00 1.34 0.00 0.00 72.50 70.85 1uhf s THR 28 CO -0.06 0.00 1.46 -0.70 -0.54 0.00 0.00 174.62 174.78 1uhf s GLU 29 N -4.09 4.28 0.00 3.99 -6.30 -1.26 -2.31 118.70 113.00 1uhf s GLU 29 Ca 0.45 2.19 0.00 0.00 -2.50 0.00 0.00 54.97 55.10 1uhf s GLU 29 Cb -0.01 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.88 1uhf s GLU 29 CO 0.26 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1uhf n GLY 30 N 3.61 2.27 3.51 -1.50 0.00 0.15 -4.91 105.19 108.32 1uhf n GLY 30 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 0.31 -3.51 1.61 -0.58 -0.98 -4.60 120.64 112.85 1uhf n GLU 31 Ca 0.00 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.47 1uhf n GLU 31 Cb 0.00 -1.95 -0.09 0.00 -0.57 0.00 0.00 31.44 28.83 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 -3.00 2.83 -0.21 3.49 2.02 -1.26 -2.30 118.70 120.28 1uhf s GLU 32 Ca 0.67 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 1uhf s GLU 32 Cb -0.34 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 29.93 1uhf s GLU 32 CO 0.56 -0.89 0.18 0.42 0.02 0.00 0.00 175.26 175.55 1uhf s ILE 33 N 1.56 5.37 -0.49 -1.63 1.01 0.15 -4.73 121.20 122.44 1uhf s ILE 33 Ca 0.03 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.78 1uhf s ILE 33 Cb -0.22 -3.52 0.07 0.00 0.01 0.00 0.00 42.46 38.80 1uhf s ILE 33 CO 0.06 0.39 0.49 -0.22 0.00 0.00 0.00 174.94 175.66 1uhf s LEU 34 N 0.67 5.39 0.23 2.97 2.96 0.84 -0.13 118.68 131.61 1uhf s LEU 34 Ca 0.10 -1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 52.57 1uhf s LEU 34 Cb -0.12 -2.28 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 1uhf s LEU 34 CO 0.02 -0.76 0.83 -0.69 -1.32 0.00 0.00 176.35 174.42 1uhf s VAL 35 N 2.04 4.34 0.00 1.68 1.01 0.18 -0.88 120.40 128.77 1uhf s VAL 35 Ca 0.08 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1uhf s VAL 35 Cb -0.23 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1uhf s VAL 35 CO 0.08 0.34 0.00 0.35 0.00 0.00 0.00 175.10 175.88 1uhf n THR 36 N 1.10 0.00 -4.19 3.92 -2.24 -1.06 0.19 114.28 111.99 1uhf n THR 36 Ca -0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1uhf n THR 36 Cb 0.49 -0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.61 3.46 -0.36 -0.78 -0.21 -1.23 -4.97 119.66 113.96 1uhf s GLN 37 Ca 0.00 -0.61 -0.01 0.00 0.02 0.00 0.00 55.36 54.77 1uhf s GLN 37 Cb 0.00 -2.93 0.09 0.00 1.00 0.00 0.00 33.01 31.18 1uhf s GLN 37 CO 0.00 -0.01 0.11 0.15 -2.12 0.00 0.00 175.29 173.42 1uhf s LYS 38 N 1.00 2.00 -0.42 2.91 1.02 -1.26 0.15 119.74 125.15 1uhf s LYS 38 Ca 0.00 -1.68 -0.07 0.00 0.02 0.00 0.00 55.97 54.25 1uhf s LYS 38 Cb -0.15 -3.38 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 1uhf s LYS 38 CO 0.00 -0.91 0.24 -0.51 -0.92 0.00 0.00 175.35 173.25 1uhf s ASP 39 N 1.45 5.48 1.45 2.83 1.01 -1.10 -4.98 116.67 122.81 1uhf s ASP 39 Ca 0.05 -1.71 0.00 0.00 0.71 0.00 0.00 52.55 51.60 1uhf s ASP 39 Cb -0.21 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.79 1uhf s ASP 39 CO -0.04 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1uhf n GLY 40 N 4.80 1.85 0.14 0.21 0.00 -1.26 -3.23 105.19 107.70 1uhf n GLY 40 Ca -0.08 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1uhf n GLY 40 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uhf h GLU 41 N 0.00 0.39 -5.94 1.61 4.81 -1.99 -3.44 114.58 110.02 1uhf h GLU 41 Ca 0.00 -0.67 -0.57 0.00 -0.13 0.00 0.00 59.36 57.99 1uhf h GLU 41 Cb 0.00 0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 1uhf h GLU 41 CO 0.00 1.32 0.04 -1.58 -0.73 0.00 0.00 179.01 178.06 1uhf s TRP 42 N -2.56 3.55 0.34 0.92 0.52 -1.20 -3.77 118.94 116.74 1uhf s TRP 42 Ca -0.15 1.15 0.08 0.00 0.02 0.00 0.00 56.10 57.19 1uhf s TRP 42 Cb 0.05 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 1uhf s TRP 42 CO 0.85 0.09 0.14 -1.58 0.02 0.00 0.00 176.95 176.47 1uhf s TRP 43 N 0.84 2.71 -0.33 -1.98 0.51 -1.19 -2.73 118.94 116.76 1uhf s TRP 43 Ca 0.34 -0.38 -0.14 0.00 -2.12 0.00 0.00 56.10 53.81 1uhf s TRP 43 Cb -0.17 -1.63 -0.02 0.00 -0.81 0.00 0.00 33.47 30.85 1uhf s TRP 43 CO 0.16 0.35 0.29 0.99 -0.51 0.00 0.00 176.95 178.23 1uhf s THR 44 N -2.42 5.24 0.48 2.01 2.01 0.41 -2.63 115.64 120.73 1uhf s THR 44 Ca 0.37 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.42 1uhf s THR 44 Cb -0.03 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1uhf s THR 44 CO 0.23 -0.02 0.64 -0.83 -0.69 0.00 0.00 174.62 173.95 1uhf s GLY 45 N 1.73 1.88 0.02 4.40 0.00 -0.84 -2.57 107.32 111.93 1uhf s GLY 45 Ca 0.09 -1.85 -0.16 0.00 0.00 0.00 0.00 44.72 42.80 1uhf s GLY 45 CO 0.11 -1.58 0.35 -0.56 0.00 0.00 0.00 173.10 171.42 1uhf s SER 46 N -4.46 -0.21 -0.17 1.64 0.01 -0.06 -3.08 113.70 107.37 1uhf s SER 46 Ca 0.57 -0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.79 1uhf s SER 46 Cb -0.08 0.36 0.06 0.00 0.21 0.00 0.00 66.02 66.57 1uhf s SER 46 CO 0.35 -0.56 0.07 -0.63 0.41 0.00 0.00 173.24 172.88 1uhf s ILE 47 N -1.99 0.06 0.00 1.44 1.01 -1.21 -0.11 121.20 120.40 1uhf s ILE 47 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1uhf s ILE 47 Cb -0.02 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1uhf s ILE 47 CO 0.01 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.32 1uhf n GLY 48 N 5.22 0.52 0.90 6.18 0.00 -1.26 -1.06 105.19 115.69 1uhf n GLY 48 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 1.44 -0.82 -4.90 1.61 8.00 -1.26 -5.14 116.55 115.49 1uhf n ASP 49 Ca 0.00 -1.73 -0.20 0.00 0.71 0.00 0.00 54.79 53.57 1uhf n ASP 49 Cb 0.00 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 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 2.80 -0.04 -1.24 0.52 -0.22 -5.14 118.95 115.63 1uhf s ARG 50 Ca 0.00 -1.26 -0.10 0.00 -0.52 0.00 0.00 55.73 53.85 1uhf s ARG 50 Cb 0.00 -2.56 0.02 0.00 0.52 0.00 0.00 34.95 32.93 1uhf s ARG 50 CO 0.00 0.03 0.24 -1.12 0.02 0.00 0.00 175.30 174.47 1uhf s SER 51 N -4.07 -0.15 0.00 0.23 0.01 -1.26 -3.34 113.70 105.11 1uhf s SER 51 Ca 0.43 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1uhf s SER 51 Cb -0.07 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1uhf s SER 51 CO 0.28 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1uhf n GLY 52 N 1.92 -0.29 3.87 3.44 0.00 -1.18 -4.69 105.19 108.27 1uhf n GLY 52 Ca -0.19 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 1uhf n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uhf s ILE 53 N -2.00 4.77 0.16 -0.61 -4.36 -1.03 -1.99 121.20 116.15 1uhf s ILE 53 Ca 0.00 -1.17 -0.23 0.00 -0.26 0.00 0.00 60.65 58.98 1uhf s ILE 53 Cb 0.00 -3.55 0.07 0.00 1.25 0.00 0.00 42.46 40.22 1uhf s ILE 53 CO 0.00 -0.29 0.66 0.72 0.24 0.00 0.00 174.94 176.28 1uhf s PHE 54 N -2.00 -0.45 -0.23 1.37 -0.12 -1.08 0.10 117.98 115.57 1uhf s PHE 54 Ca 0.33 0.21 -0.29 0.00 -0.05 0.00 0.00 56.93 57.13 1uhf s PHE 54 Cb -0.09 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1uhf s PHE 54 CO 0.26 -0.88 1.31 -1.25 -0.05 0.00 0.00 175.22 174.62 1uhf s PRO 55 N -3.69 4.05 0.22 1.99 0.04 -1.26 -3.17 135.00 133.18 1uhf s PRO 55 Ca 0.03 1.48 0.17 0.00 0.04 0.00 0.00 61.00 62.72 1uhf s PRO 55 Cb -0.02 -3.84 0.86 0.00 0.04 0.00 0.00 34.50 31.54 1uhf s PRO 55 CO -0.09 -0.94 1.52 -1.13 0.04 0.00 0.00 177.00 176.40 1uhf n SER 56 N 7.22 0.43 -0.39 6.66 3.41 -1.25 0.23 113.62 129.93 1uhf n SER 56 Ca 0.15 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 1uhf n SER 56 Cb 0.46 -0.74 0.54 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.05 1.20 -0.59 4.04 5.15 -1.26 -3.51 115.26 118.24 1uhf n ASN 57 Ca -0.00 -1.48 0.06 0.00 -0.60 0.00 0.00 54.58 52.56 1uhf n ASN 57 Cb 0.07 -0.03 0.20 0.00 -0.53 0.00 0.00 39.78 39.49 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 -0.04 0.00 -3.81 1.20 4.02 0.14 -4.99 117.16 113.68 1uhf n TYR 58 Ca 0.18 -1.42 -0.12 0.00 -0.01 0.00 0.00 57.90 56.53 1uhf n TYR 58 Cb 0.29 -0.24 -0.11 0.00 -0.02 0.00 0.00 39.34 39.26 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 -3.09 0.03 0.23 -0.72 -7.23 -1.23 -2.82 120.40 105.56 1uhf s VAL 59 Ca 0.37 -0.21 0.10 0.00 -1.81 0.00 0.00 61.98 60.44 1uhf s VAL 59 Cb 0.36 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.89 1uhf s VAL 59 CO -0.07 -0.12 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.82 1uhf s LYS 60 N -0.38 1.51 -0.21 4.82 -2.85 0.13 -4.88 119.74 117.89 1uhf s LYS 60 Ca -0.05 -1.62 -0.29 0.00 -1.00 0.00 0.00 55.97 53.01 1uhf s LYS 60 Cb -0.03 -1.59 -0.01 0.00 -2.06 0.00 0.00 37.83 34.14 1uhf s LYS 60 CO 0.01 0.31 1.30 -1.25 0.10 0.00 0.00 175.35 175.82 1uhf s PRO 61 N -3.24 4.12 -0.60 1.78 0.04 -1.26 0.30 135.00 136.14 1uhf s PRO 61 Ca 0.24 1.55 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 1uhf s PRO 61 Cb -0.05 -3.82 -0.10 0.00 0.04 0.00 0.00 34.50 30.57 1uhf s PRO 61 CO 0.11 -0.86 2.47 1.17 0.04 0.00 0.00 177.00 179.93 1uhf n LYS 62 N 6.88 0.83 -3.38 4.56 4.81 -0.11 -4.84 118.16 126.90 1uhf n LYS 62 Ca 0.14 -0.04 -0.39 0.00 -0.87 0.00 0.00 58.31 57.15 1uhf n LYS 62 Cb 0.45 -3.10 -0.09 0.00 0.02 0.00 0.00 35.03 32.32 1uhf n LYS 62 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1uhf s ASP 63 N 11.55 6.28 -0.06 3.14 -1.08 -1.26 -4.98 116.67 130.26 1uhf s ASP 63 Ca 1.05 0.33 0.03 0.00 -0.52 0.00 0.00 52.55 53.44 1uhf s ASP 63 Cb -0.37 -2.22 0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1uhf s ASP 63 CO 0.30 -0.18 -0.14 -0.55 0.52 0.00 0.00 175.17 175.12 1uhf s SER 64 N 1.56 1.94 0.84 -0.34 0.15 -1.26 -5.13 113.70 111.46 1uhf s SER 64 Ca 0.16 -0.32 -0.13 0.00 0.70 0.00 0.00 55.95 56.35 1uhf s SER 64 Cb -0.16 -0.74 0.07 0.00 -1.71 0.00 0.00 66.02 63.49 1uhf s SER 64 CO 0.10 0.09 0.98 0.61 1.20 0.00 0.00 173.24 176.21 1uhf n GLY 65 N 3.51 -0.61 2.82 9.45 0.00 -1.26 -4.81 105.19 114.29 1uhf n GLY 65 Ca -0.21 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1uhf n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhf n PRO 66 N -2.90 2.30 -1.56 1.61 -0.04 -1.26 -4.93 135.00 128.22 1uhf n PRO 66 Ca 0.12 -2.11 -0.54 0.00 -0.04 0.00 0.00 63.50 60.93 1uhf n PRO 66 Cb 0.51 -2.98 -0.07 0.00 -0.04 0.00 0.00 33.50 30.92 1uhf n PRO 66 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1uhf n SER 67 N 6.14 1.12 -3.35 3.54 3.41 -1.26 -4.94 113.62 118.29 1uhf n SER 67 Ca 0.53 1.13 -0.15 0.00 -0.26 0.00 0.00 58.87 60.12 1uhf n SER 67 Cb 0.35 -1.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.12 1uhf n SER 67 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uhf s SER 68 N 0.33 0.99 0.00 4.04 0.15 -1.26 -5.29 113.70 112.66 1uhf s SER 68 Ca 0.86 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1uhf s SER 68 Cb -1.05 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1uhf s SER 68 CO 0.50 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.26