#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 -6.74 -3.83 1.61 2.88 -1.26 -4.99 113.62 101.29 1uhf n SER 2 Ca 0.00 0.54 -0.17 0.00 -1.33 0.00 0.00 58.87 57.91 1uhf n SER 2 Cb 0.00 -2.01 -0.16 0.00 -0.75 0.00 0.00 64.21 61.29 1uhf n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhf s SER 3 N -1.03 0.43 0.00 -3.46 0.15 -1.26 -5.00 113.70 103.53 1uhf s SER 3 Ca -0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1uhf s SER 3 Cb 0.00 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1uhf s SER 3 CO 0.09 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1uhf n GLY 4 N 4.04 1.41 2.96 9.45 0.00 -1.26 -5.04 105.19 116.75 1uhf n GLY 4 Ca -0.26 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 1uhf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uhf n SER 5 N 0.00 -6.16 -3.90 1.61 2.88 -1.26 -4.97 113.62 101.82 1uhf n SER 5 Ca 0.00 0.94 -0.30 0.00 -1.33 0.00 0.00 58.87 58.17 1uhf n SER 5 Cb 0.00 -3.04 -0.15 0.00 -0.75 0.00 0.00 64.21 60.27 1uhf n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uhf s SER 6 N -0.85 4.33 0.00 -3.46 1.04 -1.26 -5.06 113.70 108.44 1uhf s SER 6 Ca -0.05 -1.78 0.00 0.00 0.48 0.00 0.00 55.95 54.60 1uhf s SER 6 Cb 0.00 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.86 1uhf s SER 6 CO 0.31 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1uhf n GLY 7 N 4.55 0.45 3.89 7.32 0.00 -1.26 -5.08 105.19 115.05 1uhf n GLY 7 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1uhf n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uhf s GLY 8 N 0.00 1.62 -0.16 -0.02 0.00 -1.26 -4.84 107.32 102.66 1uhf s GLY 8 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.43 1uhf s GLY 8 CO 0.00 -0.09 -0.19 -0.54 0.00 0.00 0.00 173.10 172.28 1uhf s GLU 9 N -4.79 2.80 0.16 2.90 2.02 0.40 -4.93 118.70 117.26 1uhf s GLU 9 Ca 0.51 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 1uhf s GLU 9 Cb -0.11 -2.40 -0.07 0.00 0.10 0.00 0.00 34.13 31.66 1uhf s GLU 9 CO 0.46 -0.16 0.99 -1.21 0.02 0.00 0.00 175.26 175.36 1uhf s GLU 10 N 1.21 4.71 0.01 1.61 8.01 -1.26 0.13 118.70 133.12 1uhf s GLU 10 Ca 0.02 1.53 -0.02 0.00 0.01 0.00 0.00 54.97 56.51 1uhf s GLU 10 Cb -0.14 -3.32 -0.01 0.00 -4.31 0.00 0.00 34.13 26.35 1uhf s GLU 10 CO -0.09 0.26 0.02 0.71 0.01 0.00 0.00 175.26 176.17 1uhf s TYR 11 N -0.38 0.17 -0.22 1.61 1.51 -0.83 -1.79 117.35 117.43 1uhf s TYR 11 Ca 0.46 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 56.09 1uhf s TYR 11 Cb -0.26 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1uhf s TYR 11 CO 0.32 -0.20 0.07 0.42 -1.11 0.00 0.00 175.55 175.05 1uhf s ILE 12 N -1.29 4.63 -0.03 2.71 -1.09 0.13 -1.96 121.20 124.30 1uhf s ILE 12 Ca -0.14 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 57.90 1uhf s ILE 12 Cb -0.08 -3.12 -0.06 0.00 -1.58 0.00 0.00 42.46 37.61 1uhf s ILE 12 CO -0.00 0.40 1.66 0.00 -1.23 0.00 0.00 174.94 175.76 1uhf s ALA 13 N 0.96 3.62 -0.07 9.38 0.00 -0.74 -1.12 121.76 133.79 1uhf s ALA 13 Ca 0.04 1.00 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 1uhf s ALA 13 Cb -0.14 -3.74 -0.20 0.00 0.00 0.00 0.00 23.12 19.05 1uhf s ALA 13 CO 0.03 -1.34 0.93 -0.07 0.00 0.00 0.00 175.76 175.31 1uhf h LEU 14 N 9.92 -0.06 -8.87 0.00 3.38 -0.69 0.44 115.31 119.43 1uhf h LEU 14 Ca -0.40 -0.58 -0.51 0.00 0.09 0.00 0.00 57.88 56.48 1uhf h LEU 14 Cb 1.18 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.78 1uhf h LEU 14 CO 0.95 0.60 -0.77 -0.31 0.09 0.00 0.00 178.44 179.00 1uhf s TYR 15 N -3.24 1.83 -0.48 1.13 2.02 -1.25 -4.63 117.35 112.73 1uhf s TYR 15 Ca -0.15 -0.48 -0.28 0.00 -0.37 0.00 0.00 57.07 55.78 1uhf s TYR 15 Cb -0.00 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1uhf s TYR 15 CO 0.58 0.36 1.45 -1.25 -1.57 0.00 0.00 175.55 175.13 1uhf s PRO 16 N -3.05 3.41 -0.25 -1.71 0.04 -1.26 -4.04 135.00 128.13 1uhf s PRO 16 Ca 0.18 0.76 -0.09 0.00 0.04 0.00 0.00 61.00 61.89 1uhf s PRO 16 Cb -0.04 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 1uhf s PRO 16 CO 0.07 -1.78 0.14 -0.47 0.04 0.00 0.00 177.00 175.00 1uhf s TYR 17 N 5.91 3.20 -0.01 0.56 6.14 -0.74 -4.87 117.35 127.54 1uhf s TYR 17 Ca 0.59 -0.02 0.06 0.00 0.64 0.00 0.00 57.07 58.34 1uhf s TYR 17 Cb -0.13 -2.29 -0.03 0.00 0.42 0.00 0.00 41.96 39.94 1uhf s TYR 17 CO 0.29 -0.15 -0.20 -1.54 0.64 0.00 0.00 175.55 174.60 1uhf s SER 18 N 1.46 3.62 -0.04 4.32 1.04 -1.26 -1.77 113.70 121.06 1uhf s SER 18 Ca 0.06 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1uhf s SER 18 Cb -0.15 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.40 1uhf s SER 18 CO 0.07 0.31 -0.04 -0.44 0.98 0.00 0.00 173.24 174.12 1uhf s SER 19 N -0.92 0.93 0.30 7.02 0.01 -1.26 -5.01 113.70 114.77 1uhf s SER 19 Ca 0.12 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.32 1uhf s SER 19 Cb -0.10 -0.43 0.48 0.00 0.21 0.00 0.00 66.02 66.18 1uhf s SER 19 CO 0.01 -0.06 1.73 -0.37 0.41 0.00 0.00 173.24 174.96 1uhf h VAL 20 N 6.16 1.29 -3.69 3.43 -1.51 -2.00 -3.43 116.25 116.49 1uhf h VAL 20 Ca -0.37 -1.40 -0.50 0.00 -1.23 0.00 0.00 66.70 63.20 1uhf h VAL 20 Cb 1.15 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 1uhf h VAL 20 CO 0.46 0.42 0.28 -1.61 -1.23 0.00 0.00 177.57 175.90 1uhf s GLU 21 N -4.26 4.68 0.00 5.19 0.41 -1.26 -4.93 118.70 118.54 1uhf s GLU 21 Ca -0.05 1.32 0.24 0.00 -0.41 0.00 0.00 54.97 56.07 1uhf s GLU 21 Cb 0.14 -3.16 1.41 0.00 -1.78 0.00 0.00 34.13 30.74 1uhf s GLU 21 CO 0.77 0.48 1.78 -0.35 -0.49 0.00 0.00 175.26 177.46 1uhf n PRO 22 N 1.30 0.75 -0.02 0.39 -0.04 -1.26 -3.31 135.00 132.80 1uhf n PRO 22 Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1uhf n PRO 22 Cb 0.48 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 3.76 -0.06 -4.23 0.55 0.00 -1.91 -3.44 103.07 97.72 1uhf h GLY 23 Ca 0.00 0.02 -0.53 0.00 0.00 0.00 0.00 47.33 46.83 1uhf h GLY 23 CO 0.00 -0.02 0.40 -0.35 0.00 0.00 0.00 176.54 176.56 1uhf s ASP 24 N -5.85 7.39 0.10 0.19 -1.08 -1.21 -2.90 116.67 113.31 1uhf s ASP 24 Ca -0.15 1.81 -0.31 0.00 -0.52 0.00 0.00 52.55 53.38 1uhf s ASP 24 Cb -0.01 -2.58 -0.09 0.00 -1.46 0.00 0.00 42.92 38.78 1uhf s ASP 24 CO 0.57 -0.18 1.58 -0.22 0.52 0.00 0.00 175.17 177.44 1uhf s LEU 25 N 0.38 4.36 -0.24 -1.34 2.96 0.15 -4.73 118.68 120.22 1uhf s LEU 25 Ca 0.50 2.49 -0.13 0.00 -0.22 0.00 0.00 54.13 56.77 1uhf s LEU 25 Cb -0.24 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 1uhf s LEU 25 CO 0.30 -0.83 0.28 0.42 -1.32 0.00 0.00 176.35 175.20 1uhf s THR 26 N 1.97 5.27 0.29 3.68 -4.23 -1.26 -4.79 115.64 116.56 1uhf s THR 26 Ca 0.71 0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 61.60 1uhf s THR 26 Cb -0.40 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 69.81 1uhf s THR 26 CO 0.31 0.27 0.39 0.72 -0.54 0.00 0.00 174.62 175.77 1uhf s PHE 27 N 1.40 0.95 0.47 3.99 -0.71 -0.73 -5.05 117.98 118.30 1uhf s PHE 27 Ca 0.13 -1.19 0.03 0.00 -1.04 0.00 0.00 56.93 54.86 1uhf s PHE 27 Cb -0.15 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 1uhf s PHE 27 CO 0.07 -0.98 0.01 0.95 -1.34 0.00 0.00 175.22 173.93 1uhf s THR 28 N -3.57 1.45 -0.06 -4.49 -4.23 -1.26 -1.79 115.64 101.69 1uhf s THR 28 Ca 0.31 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.52 1uhf s THR 28 Cb 0.01 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1uhf s THR 28 CO 0.16 0.00 1.23 -0.70 -0.54 0.00 0.00 174.62 174.77 1uhf s GLU 29 N -3.81 4.33 0.00 3.99 -6.30 -1.26 -2.78 118.70 112.87 1uhf s GLU 29 Ca 0.17 1.71 0.00 0.00 -2.50 0.00 0.00 54.97 54.35 1uhf s GLU 29 Cb 0.05 -3.58 0.00 0.00 0.00 0.00 0.00 34.13 30.60 1uhf s GLU 29 CO 0.09 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.29 1uhf n GLY 30 N 3.42 2.28 3.49 -1.50 0.00 0.15 -4.91 105.19 108.11 1uhf n GLY 30 Ca 0.11 0.00 -0.32 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 -0.29 -0.78 -3.91 1.61 4.71 -1.12 -4.55 120.64 116.32 1uhf n GLU 31 Ca 0.00 -0.18 -0.35 0.00 -0.01 0.00 0.00 57.16 56.62 1uhf n GLU 31 Cb 0.00 -2.04 -0.14 0.00 -1.01 0.00 0.00 31.44 28.25 1uhf n GLU 31 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1uhf s GLU 32 N -4.03 2.61 -0.18 3.49 2.02 -1.26 -1.79 118.70 119.56 1uhf s GLU 32 Ca 0.61 -1.14 -0.08 0.00 0.02 0.00 0.00 54.97 54.38 1uhf s GLU 32 Cb -0.21 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1uhf s GLU 32 CO 0.64 -0.54 0.09 0.42 0.02 0.00 0.00 175.26 175.89 1uhf s ILE 33 N 1.30 5.09 -0.52 -1.63 1.01 -0.83 -4.86 121.20 120.76 1uhf s ILE 33 Ca -0.03 0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.50 1uhf s ILE 33 Cb -0.19 -3.29 0.07 0.00 0.01 0.00 0.00 42.46 39.06 1uhf s ILE 33 CO -0.02 0.47 0.64 -0.22 0.00 0.00 0.00 174.94 175.81 1uhf s LEU 34 N 0.18 5.07 0.15 2.97 2.96 0.10 -1.96 118.68 128.15 1uhf s LEU 34 Ca 0.07 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.64 1uhf s LEU 34 Cb -0.12 -2.41 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 1uhf s LEU 34 CO -0.00 -0.93 0.96 -0.69 -1.32 0.00 0.00 176.35 174.36 1uhf s VAL 35 N 2.62 4.35 0.00 1.68 1.01 0.12 0.44 120.40 130.62 1uhf s VAL 35 Ca 0.14 2.07 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1uhf s VAL 35 Cb -0.20 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.86 1uhf s VAL 35 CO 0.11 0.37 0.00 0.35 0.00 0.00 0.00 175.10 175.93 1uhf n THR 36 N 2.36 0.00 -5.09 3.92 -2.24 -1.02 0.15 114.28 112.37 1uhf n THR 36 Ca 0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 1uhf n THR 36 Cb 0.48 -0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.78 2.20 -0.35 -0.78 -0.21 -1.21 -4.91 119.66 112.62 1uhf s GLN 37 Ca 0.00 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1uhf s GLN 37 Cb 0.00 -1.89 0.10 0.00 1.00 0.00 0.00 33.01 32.21 1uhf s GLN 37 CO 0.00 0.33 0.08 0.15 -2.12 0.00 0.00 175.29 173.74 1uhf s LYS 38 N -0.11 1.81 -0.47 2.91 1.02 -1.26 0.13 119.74 123.78 1uhf s LYS 38 Ca -0.03 -1.75 -0.12 0.00 0.02 0.00 0.00 55.97 54.08 1uhf s LYS 38 Cb -0.13 -3.31 0.09 0.00 -0.52 0.00 0.00 37.83 33.97 1uhf s LYS 38 CO 0.03 -0.92 0.36 0.34 -0.92 0.00 0.00 175.35 174.23 1uhf s ASP 39 N 1.26 5.91 1.92 2.83 -1.08 -1.19 -4.96 116.67 121.37 1uhf s ASP 39 Ca 0.07 -1.56 0.00 0.00 -0.52 0.00 0.00 52.55 50.54 1uhf s ASP 39 Cb -0.20 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1uhf s ASP 39 CO -0.06 -0.65 0.00 0.61 0.52 0.00 0.00 175.17 175.59 1uhf n GLY 40 N 5.07 3.89 0.13 2.66 0.00 -1.26 -2.44 105.19 113.24 1uhf n GLY 40 Ca -0.11 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 0.25 -5.69 1.61 4.39 -1.97 -3.43 114.58 109.73 1uhf h GLU 41 Ca 0.00 -0.42 -0.63 0.00 0.34 0.00 0.00 59.36 58.65 1uhf h GLU 41 Cb 0.00 0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 28.67 1uhf h GLU 41 CO 0.00 1.12 0.38 -1.58 -1.16 0.00 0.00 179.01 177.77 1uhf s TRP 42 N -2.57 2.93 0.46 4.33 0.52 -1.02 -3.17 118.94 120.42 1uhf s TRP 42 Ca -0.18 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 1uhf s TRP 42 Cb 0.07 -3.78 -0.01 0.00 -1.15 0.00 0.00 33.47 28.59 1uhf s TRP 42 CO 0.80 -1.11 0.71 -1.58 0.02 0.00 0.00 176.95 175.78 1uhf s TRP 43 N 3.42 3.34 -0.33 -1.98 0.51 -1.05 -3.18 118.94 119.66 1uhf s TRP 43 Ca 0.28 0.42 -0.12 0.00 -2.12 0.00 0.00 56.10 54.56 1uhf s TRP 43 Cb -0.13 -2.31 -0.02 0.00 -0.81 0.00 0.00 33.47 30.20 1uhf s TRP 43 CO 0.20 -0.34 0.22 0.99 -0.51 0.00 0.00 176.95 177.51 1uhf s THR 44 N -2.62 5.18 0.39 2.01 2.01 0.35 -1.72 115.64 121.23 1uhf s THR 44 Ca 0.48 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.31 1uhf s THR 44 Cb -0.10 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1uhf s THR 44 CO 0.40 0.02 0.54 -0.83 -0.69 0.00 0.00 174.62 174.06 1uhf s GLY 45 N 1.71 1.70 -0.02 4.40 0.00 -0.41 -2.42 107.32 112.28 1uhf s GLY 45 Ca 0.06 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 1uhf s GLY 45 CO 0.10 -1.32 0.10 -0.45 0.00 0.00 0.00 173.10 171.52 1uhf s SER 46 N -4.24 -0.00 -0.17 1.64 0.15 0.17 -2.67 113.70 108.57 1uhf s SER 46 Ca 0.49 -0.05 -0.04 0.00 0.70 0.00 0.00 55.95 57.04 1uhf s SER 46 Cb -0.10 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.47 1uhf s SER 46 CO 0.33 -0.20 0.07 -0.63 1.20 0.00 0.00 173.24 174.01 1uhf s ILE 47 N -0.70 0.08 0.00 6.45 1.01 -0.93 0.03 121.20 127.14 1uhf s ILE 47 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1uhf s ILE 47 Cb -0.05 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1uhf s ILE 47 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.32 1uhf n GLY 48 N 5.22 0.31 0.60 6.18 0.00 -1.26 -0.05 105.19 116.19 1uhf n GLY 48 Ca -0.07 0.24 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1uhf n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uhf n ASP 49 N 1.17 0.00 -4.84 1.61 2.03 -1.26 -5.11 116.55 110.15 1uhf n ASP 49 Ca 0.00 -1.58 -0.22 0.00 0.52 0.00 0.00 54.79 53.51 1uhf n ASP 49 Cb 0.00 -0.09 -0.04 0.00 -0.72 0.00 0.00 41.12 40.27 1uhf n ASP 49 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1uhf s ARG 50 N 0.00 3.00 0.00 -0.67 0.52 0.93 -5.13 118.95 117.60 1uhf s ARG 50 Ca 0.02 -0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 54.14 1uhf s ARG 50 Cb 0.03 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1uhf s ARG 50 CO -0.01 0.42 0.22 -1.54 0.02 0.00 0.00 175.30 174.41 1uhf s SER 51 N -3.74 -0.07 0.00 0.23 1.04 -1.26 -2.19 113.70 107.72 1uhf s SER 51 Ca 0.33 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1uhf s SER 51 Cb -0.08 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1uhf s SER 51 CO 0.25 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1uhf n GLY 52 N 1.21 -1.02 3.92 7.32 0.00 -1.09 -4.61 105.19 110.92 1uhf n GLY 52 Ca -0.22 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 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 5.00 0.15 -0.61 -4.36 -1.14 -1.29 121.20 116.95 1uhf s ILE 53 Ca 0.00 -1.09 -0.24 0.00 -0.26 0.00 0.00 60.65 59.07 1uhf s ILE 53 Cb 0.00 -3.70 0.07 0.00 1.25 0.00 0.00 42.46 40.08 1uhf s ILE 53 CO 0.00 -0.31 0.66 0.72 0.24 0.00 0.00 174.94 176.25 1uhf s PHE 54 N -1.99 -0.47 -0.10 1.37 -0.12 -0.70 -0.68 117.98 115.28 1uhf s PHE 54 Ca 0.34 0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 57.17 1uhf s PHE 54 Cb -0.09 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1uhf s PHE 54 CO 0.28 -0.84 1.25 -1.25 -0.05 0.00 0.00 175.22 174.60 1uhf s PRO 55 N -3.67 4.29 0.00 1.99 0.04 -1.26 -2.53 135.00 133.86 1uhf s PRO 55 Ca 0.03 1.69 0.18 0.00 0.04 0.00 0.00 61.00 62.94 1uhf s PRO 55 Cb -0.01 -3.66 0.95 0.00 0.04 0.00 0.00 34.50 31.82 1uhf s PRO 55 CO -0.10 -0.58 1.56 -1.13 0.04 0.00 0.00 177.00 176.78 1uhf n SER 56 N 5.89 0.00 -1.04 6.66 3.41 -1.19 -1.39 113.62 125.96 1uhf n SER 56 Ca 0.13 -0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1uhf n SER 56 Cb 0.45 -0.25 0.24 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.25 3.11 -0.06 4.04 5.15 -1.26 -3.89 115.26 121.09 1uhf n ASN 57 Ca 0.09 -1.94 0.01 0.00 -0.60 0.00 0.00 54.58 52.13 1uhf n ASN 57 Cb 0.14 -0.21 0.01 0.00 -0.53 0.00 0.00 39.78 39.19 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 1.27 0.03 -4.35 1.20 4.02 -0.49 -5.00 117.16 113.84 1uhf n TYR 58 Ca 0.19 -0.26 -0.19 0.00 -0.01 0.00 0.00 57.90 57.63 1uhf n TYR 58 Cb 0.56 -0.02 -0.14 0.00 -0.02 0.00 0.00 39.34 39.71 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 -0.57 0.81 0.26 -0.72 -7.23 -1.23 0.06 120.40 111.78 1uhf s VAL 59 Ca 0.02 -0.61 0.11 0.00 -1.81 0.00 0.00 61.98 59.69 1uhf s VAL 59 Cb 0.01 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 36.20 1uhf s VAL 59 CO 0.02 0.10 -0.13 -1.59 -0.31 0.00 0.00 175.10 173.19 1uhf s LYS 60 N -0.57 1.90 -0.19 4.82 -2.85 -0.28 -4.90 119.74 117.67 1uhf s LYS 60 Ca 0.02 -1.59 -0.29 0.00 -1.00 0.00 0.00 55.97 53.11 1uhf s LYS 60 Cb -0.05 -1.94 -0.01 0.00 -2.06 0.00 0.00 37.83 33.77 1uhf s LYS 60 CO 0.00 0.36 1.29 -1.25 0.10 0.00 0.00 175.35 175.85 1uhf s PRO 61 N -3.42 4.16 -0.66 1.78 0.04 -1.26 0.23 135.00 135.86 1uhf s PRO 61 Ca 0.29 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1uhf s PRO 61 Cb -0.06 -3.80 -0.12 0.00 0.04 0.00 0.00 34.50 30.56 1uhf s PRO 61 CO 0.16 -0.80 2.47 1.17 0.04 0.00 0.00 177.00 180.03 1uhf n LYS 62 N 6.78 0.70 -3.60 4.56 4.81 -0.74 -4.77 118.16 125.91 1uhf n LYS 62 Ca 0.14 -0.13 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 1uhf n LYS 62 Cb 0.45 -2.97 -0.02 0.00 0.02 0.00 0.00 35.03 32.52 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 10.82 -0.11 0.00 3.14 -1.08 -1.26 -4.97 116.67 123.20 1uhf s ASP 63 Ca 1.07 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 1uhf s ASP 63 Cb -0.42 0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.19 1uhf s ASP 63 CO 0.30 -0.26 0.00 -0.24 0.52 0.00 0.00 175.17 175.49 1uhf n SER 64 N -0.21 0.00 -3.80 -0.34 2.88 -1.26 -4.38 113.62 106.50 1uhf n SER 64 Ca -0.02 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.24 1uhf n SER 64 Cb 0.60 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.95 1uhf n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhf n GLY 65 N 0.00 4.21 3.56 0.46 0.00 -1.26 -5.03 105.19 107.13 1uhf n GLY 65 Ca 0.00 -2.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.03 1uhf n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhf s PRO 66 N -1.70 3.06 0.40 1.61 0.04 -1.26 -4.95 135.00 132.20 1uhf s PRO 66 Ca 0.28 -0.60 -0.24 0.00 0.04 0.00 0.00 61.00 60.48 1uhf s PRO 66 Cb -0.00 -5.10 -0.12 0.00 0.04 0.00 0.00 34.50 29.33 1uhf s PRO 66 CO -0.14 -2.74 0.86 0.45 0.04 0.00 0.00 177.00 175.48 1uhf n SER 67 N 11.33 0.54 -2.59 6.66 2.88 -1.26 -3.82 113.62 127.36 1uhf n SER 67 Ca 0.33 1.01 -0.06 0.00 -1.33 0.00 0.00 58.87 58.82 1uhf n SER 67 Cb 0.49 -1.26 0.01 0.00 -0.75 0.00 0.00 64.21 62.70 1uhf n SER 67 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhf n SER 68 N 0.83 -6.79 0.00 -3.46 2.88 -1.26 -5.19 113.62 100.64 1uhf n SER 68 Ca 0.10 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1uhf n SER 68 Cb 0.38 -4.54 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42