#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 4.27 0.18 1.61 0.01 -1.26 -5.02 113.70 113.48 1uhf s SER 2 Ca 0.00 -1.75 0.02 0.00 1.31 0.00 0.00 55.95 55.53 1uhf s SER 2 Cb 0.00 -1.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 1uhf s SER 2 CO 0.00 -0.37 -0.01 -0.44 0.41 0.00 0.00 173.24 172.82 1uhf s SER 3 N 1.32 1.39 0.14 2.44 0.01 -1.26 -5.09 113.70 112.66 1uhf s SER 3 Ca 0.08 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1uhf s SER 3 Cb -0.18 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1uhf s SER 3 CO -0.16 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1uhf n GLY 4 N -0.26 1.48 3.01 3.44 0.00 -1.26 -4.71 105.19 106.88 1uhf n GLY 4 Ca -0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1uhf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhf s SER 5 N -4.00 0.14 -0.61 1.61 0.01 -1.26 -4.95 113.70 104.64 1uhf s SER 5 Ca 0.00 -0.33 -0.22 0.00 1.31 0.00 0.00 55.95 56.71 1uhf s SER 5 Cb 0.00 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.39 1uhf s SER 5 CO 0.00 -0.28 0.64 -0.24 0.41 0.00 0.00 173.24 173.77 1uhf n SER 6 N 1.77 -5.26 -0.02 2.44 2.88 -1.26 -4.94 113.62 109.21 1uhf n SER 6 Ca -0.22 -0.50 -0.02 0.00 -1.33 0.00 0.00 58.87 56.80 1uhf n SER 6 Cb 0.56 -1.73 -0.01 0.00 -0.75 0.00 0.00 64.21 62.28 1uhf n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhf n GLY 7 N -0.82 -0.41 3.88 0.46 0.00 -1.26 -5.03 105.19 102.00 1uhf n GLY 7 Ca -0.18 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.58 1.99 -0.18 -0.02 0.00 -1.26 -4.78 107.32 99.48 1uhf s GLY 8 Ca -0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 1uhf s GLY 8 CO 0.12 -0.96 -0.11 -0.54 0.00 0.00 0.00 173.10 171.61 1uhf s GLU 9 N -2.71 3.29 0.19 2.90 2.02 0.22 -4.94 118.70 119.67 1uhf s GLU 9 Ca 0.33 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1uhf s GLU 9 Cb -0.12 -2.77 -0.08 0.00 0.10 0.00 0.00 34.13 31.26 1uhf s GLU 9 CO 0.26 -0.05 1.00 -1.21 0.02 0.00 0.00 175.26 175.28 1uhf s GLU 10 N 1.03 4.72 0.01 1.61 8.01 -1.26 -0.72 118.70 132.10 1uhf s GLU 10 Ca -0.01 1.57 -0.02 0.00 0.01 0.00 0.00 54.97 56.52 1uhf s GLU 10 Cb -0.15 -3.30 -0.01 0.00 -4.31 0.00 0.00 34.13 26.36 1uhf s GLU 10 CO -0.02 0.28 0.02 0.71 0.01 0.00 0.00 175.26 176.26 1uhf s TYR 11 N -0.57 0.17 -0.23 1.61 1.51 -0.71 -1.83 117.35 117.29 1uhf s TYR 11 Ca 0.45 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1uhf s TYR 11 Cb -0.27 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1uhf s TYR 11 CO 0.33 -0.19 0.10 0.42 -1.11 0.00 0.00 175.55 175.10 1uhf s ILE 12 N -1.24 4.76 -0.06 2.71 -1.09 0.13 -1.53 121.20 124.87 1uhf s ILE 12 Ca -0.14 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.96 1uhf s ILE 12 Cb -0.08 -3.20 -0.06 0.00 -1.58 0.00 0.00 42.46 37.53 1uhf s ILE 12 CO -0.00 0.37 1.86 0.00 -1.23 0.00 0.00 174.94 175.94 1uhf s ALA 13 N 1.15 3.42 -0.03 9.38 0.00 -0.35 -1.09 121.76 134.24 1uhf s ALA 13 Ca 0.05 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 1uhf s ALA 13 Cb -0.14 -3.85 -0.21 0.00 0.00 0.00 0.00 23.12 18.91 1uhf s ALA 13 CO 0.04 -1.75 1.11 -0.07 0.00 0.00 0.00 175.76 175.09 1uhf h LEU 14 N 11.30 0.21 -8.70 0.00 3.38 0.97 0.20 115.31 122.67 1uhf h LEU 14 Ca -0.43 -0.69 -0.44 0.00 0.09 0.00 0.00 57.88 56.41 1uhf h LEU 14 Cb 1.21 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 1uhf h LEU 14 CO 0.96 0.86 -0.76 -0.31 0.09 0.00 0.00 178.44 179.28 1uhf s TYR 15 N -3.48 1.54 -0.37 1.13 2.02 -1.21 -4.66 117.35 112.32 1uhf s TYR 15 Ca -0.16 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 1uhf s TYR 15 Cb 0.02 -0.78 0.01 0.00 -0.40 0.00 0.00 41.96 40.80 1uhf s TYR 15 CO 0.73 0.21 1.39 -1.25 -1.57 0.00 0.00 175.55 175.07 1uhf s PRO 16 N -2.87 3.67 -0.25 -1.71 0.04 -1.26 -3.98 135.00 128.65 1uhf s PRO 16 Ca 0.13 1.05 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 1uhf s PRO 16 Cb -0.04 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.49 1uhf s PRO 16 CO 0.04 -1.44 0.03 -0.47 0.04 0.00 0.00 177.00 175.21 1uhf s TYR 17 N 5.14 3.05 0.04 0.56 5.04 -0.49 -4.86 117.35 125.83 1uhf s TYR 17 Ca 0.60 -0.68 0.09 0.00 -2.44 0.00 0.00 57.07 54.64 1uhf s TYR 17 Cb -0.15 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 1uhf s TYR 17 CO 0.30 -0.46 -0.24 -1.54 -1.34 0.00 0.00 175.55 172.27 1uhf s SER 18 N 1.55 3.32 -0.30 4.32 1.04 -1.26 -1.56 113.70 120.81 1uhf s SER 18 Ca 0.06 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 1uhf s SER 18 Cb -0.15 -0.38 0.17 0.00 0.10 0.00 0.00 66.02 65.76 1uhf s SER 18 CO 0.01 0.27 0.94 -0.55 0.98 0.00 0.00 173.24 174.89 1uhf s SER 19 N -1.21 -0.67 -0.72 7.02 0.15 -1.26 -5.04 113.70 111.96 1uhf s SER 19 Ca 0.12 0.69 -0.06 0.00 0.70 0.00 0.00 55.95 57.40 1uhf s SER 19 Cb -0.10 1.67 -0.09 0.00 -1.71 0.00 0.00 66.02 65.79 1uhf s SER 19 CO 0.02 -0.13 3.08 1.33 1.20 0.00 0.00 173.24 178.75 1uhf n VAL 20 N 5.20 3.77 -4.79 4.45 0.24 -1.26 -4.67 118.33 121.27 1uhf n VAL 20 Ca -0.08 -2.55 -0.33 0.00 -2.04 0.00 0.00 64.34 59.35 1uhf n VAL 20 Cb 0.52 -2.08 -0.13 0.00 -1.47 0.00 0.00 33.84 30.68 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 0.37 2.89 -0.17 7.34 2.02 -1.26 -5.00 118.70 124.87 1uhf s GLU 21 Ca 0.64 -0.66 -0.05 0.00 0.02 0.00 0.00 54.97 54.92 1uhf s GLU 21 Cb 0.28 -2.52 -0.18 0.00 0.10 0.00 0.00 34.13 31.80 1uhf s GLU 21 CO -0.08 0.48 2.80 -0.35 0.02 0.00 0.00 175.26 178.13 1uhf n PRO 22 N 2.75 1.68 0.00 0.39 -0.04 -1.26 -2.71 135.00 135.81 1uhf n PRO 22 Ca -0.18 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1uhf n PRO 22 Cb 0.52 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 2.77 0.10 3.66 0.55 0.00 -1.26 -5.11 105.19 105.90 1uhf n GLY 23 Ca 0.36 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.89 6.90 0.51 1.61 1.11 -1.10 -0.76 116.67 124.04 1uhf s ASP 24 Ca 0.00 1.11 -0.22 0.00 0.18 0.00 0.00 52.55 53.62 1uhf s ASP 24 Cb 0.00 -2.45 -0.06 0.00 1.07 0.00 0.00 42.92 41.49 1uhf s ASP 24 CO 0.00 -0.44 1.28 -0.22 1.18 0.00 0.00 175.17 176.96 1uhf s LEU 25 N 2.42 3.93 -0.16 1.23 2.96 -0.07 -4.50 118.68 124.49 1uhf s LEU 25 Ca 0.37 2.57 -0.01 0.00 -0.22 0.00 0.00 54.13 56.84 1uhf s LEU 25 Cb -0.16 -4.25 -0.01 0.00 0.50 0.00 0.00 46.19 42.27 1uhf s LEU 25 CO 0.10 -1.28 -0.12 0.42 -1.32 0.00 0.00 176.35 174.15 1uhf s THR 26 N -1.41 2.93 0.28 3.68 -4.23 -1.26 -4.68 115.64 110.95 1uhf s THR 26 Ca 0.68 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 1uhf s THR 26 Cb -0.35 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1uhf s THR 26 CO 0.42 0.50 0.57 0.72 -0.54 0.00 0.00 174.62 176.29 1uhf s PHE 27 N 0.81 0.29 0.51 3.99 -0.12 -0.60 -5.05 117.98 117.82 1uhf s PHE 27 Ca -0.04 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.16 1uhf s PHE 27 Cb -0.15 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 1uhf s PHE 27 CO 0.00 -1.14 0.08 0.95 -0.05 0.00 0.00 175.22 175.06 1uhf s THR 28 N -3.67 1.29 0.09 -4.49 -4.23 -1.26 -1.40 115.64 101.97 1uhf s THR 28 Ca 0.20 -1.90 -0.30 0.00 -1.18 0.00 0.00 61.69 58.50 1uhf s THR 28 Cb -0.02 -2.19 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 1uhf s THR 28 CO 0.10 0.00 1.10 -0.70 -0.54 0.00 0.00 174.62 174.58 1uhf s GLU 29 N -3.95 4.54 0.00 3.99 -6.30 -1.26 -2.98 118.70 112.74 1uhf s GLU 29 Ca 0.12 1.66 0.00 0.00 -2.50 0.00 0.00 54.97 54.24 1uhf s GLU 29 Cb 0.01 -3.35 0.00 0.00 0.00 0.00 0.00 34.13 30.79 1uhf s GLU 29 CO 0.07 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1uhf n GLY 30 N 2.67 3.26 3.60 -1.50 0.00 0.72 -4.91 105.19 109.02 1uhf n GLY 30 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.03 -0.92 -3.76 1.61 1.02 -1.16 -4.54 120.64 111.85 1uhf n GLU 31 Ca 0.00 -0.21 -0.37 0.00 -0.02 0.00 0.00 57.16 56.56 1uhf n GLU 31 Cb 0.00 -2.27 -0.12 0.00 -0.02 0.00 0.00 31.44 29.03 1uhf n GLU 31 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1uhf s GLU 32 N -4.47 2.39 -0.14 3.49 2.02 -1.26 -1.21 118.70 119.51 1uhf s GLU 32 Ca 0.66 -1.45 -0.15 0.00 0.02 0.00 0.00 54.97 54.05 1uhf s GLU 32 Cb -0.23 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 1uhf s GLU 32 CO 0.61 -0.84 0.36 0.42 0.02 0.00 0.00 175.26 175.82 1uhf s ILE 33 N 1.29 5.26 -0.54 -1.63 1.01 -0.58 -4.86 121.20 121.14 1uhf s ILE 33 Ca 0.01 0.69 -0.18 0.00 0.00 0.00 0.00 60.65 61.18 1uhf s ILE 33 Cb -0.21 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.66 1uhf s ILE 33 CO -0.00 0.38 0.59 -0.22 0.00 0.00 0.00 174.94 175.69 1uhf s LEU 34 N 0.43 5.53 0.01 2.97 2.96 0.12 -1.74 118.68 128.95 1uhf s LEU 34 Ca 0.20 -1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 52.42 1uhf s LEU 34 Cb -0.14 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1uhf s LEU 34 CO 0.06 -0.94 0.97 -0.69 -1.32 0.00 0.00 176.35 174.44 1uhf s VAL 35 N 2.25 4.83 -0.04 1.68 1.01 0.10 -0.27 120.40 129.96 1uhf s VAL 35 Ca 0.09 2.05 0.02 0.00 0.00 0.00 0.00 61.98 64.15 1uhf s VAL 35 Cb -0.25 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1uhf s VAL 35 CO 0.07 0.18 -0.00 0.35 0.00 0.00 0.00 175.10 175.69 1uhf n THR 36 N 3.77 0.26 -4.38 3.92 -2.24 -0.93 0.70 114.28 115.37 1uhf n THR 36 Ca 0.05 -0.14 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 1uhf n THR 36 Cb 0.51 -0.83 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.09 0.89 -0.37 -0.78 -0.21 -1.21 -4.88 119.66 111.01 1uhf s GLN 37 Ca -0.03 -0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 1uhf s GLN 37 Cb 0.01 -0.84 0.10 0.00 1.00 0.00 0.00 33.01 33.28 1uhf s GLN 37 CO 0.14 0.14 0.12 0.15 -2.12 0.00 0.00 175.29 173.71 1uhf s LYS 38 N 0.08 1.93 -0.50 2.91 1.02 -1.26 0.13 119.74 124.05 1uhf s LYS 38 Ca -0.01 -1.74 -0.16 0.00 0.02 0.00 0.00 55.97 54.09 1uhf s LYS 38 Cb -0.07 -3.40 0.10 0.00 -0.52 0.00 0.00 37.83 33.94 1uhf s LYS 38 CO 0.00 -0.95 0.44 0.34 -0.92 0.00 0.00 175.35 174.26 1uhf s ASP 39 N 1.46 6.15 1.65 2.83 -1.08 -1.09 -4.95 116.67 121.65 1uhf s ASP 39 Ca 0.06 -1.54 0.00 0.00 -0.52 0.00 0.00 52.55 50.56 1uhf s ASP 39 Cb -0.21 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1uhf s ASP 39 CO -0.05 -0.74 0.00 0.61 0.52 0.00 0.00 175.17 175.51 1uhf n GLY 40 N 5.22 3.93 0.13 2.66 0.00 -1.26 -1.79 105.19 114.08 1uhf n GLY 40 Ca -0.13 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.93 1.61 4.39 -1.97 -3.44 114.58 109.49 1uhf h GLU 41 Ca 0.00 -0.43 -0.62 0.00 0.34 0.00 0.00 59.36 58.65 1uhf h GLU 41 Cb 0.00 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 28.69 1uhf h GLU 41 CO 0.00 1.13 0.45 -1.58 -1.16 0.00 0.00 179.01 177.85 1uhf s TRP 42 N -2.57 2.96 0.26 4.33 0.52 -0.74 -3.28 118.94 120.42 1uhf s TRP 42 Ca -0.18 0.24 -0.04 0.00 0.02 0.00 0.00 56.10 56.15 1uhf s TRP 42 Cb 0.07 -3.80 -0.05 0.00 -1.15 0.00 0.00 33.47 28.54 1uhf s TRP 42 CO 0.80 -1.05 0.51 -1.58 0.02 0.00 0.00 176.95 175.65 1uhf s TRP 43 N 3.50 3.48 -0.33 -1.98 0.51 -1.04 -2.66 118.94 120.41 1uhf s TRP 43 Ca 0.33 0.55 -0.18 0.00 -2.12 0.00 0.00 56.10 54.68 1uhf s TRP 43 Cb -0.11 -2.03 -0.01 0.00 -0.81 0.00 0.00 33.47 30.51 1uhf s TRP 43 CO 0.24 0.23 0.52 0.99 -0.51 0.00 0.00 176.95 178.43 1uhf s THR 44 N -2.02 5.02 0.32 2.01 2.01 0.36 -1.56 115.64 121.77 1uhf s THR 44 Ca 0.42 0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.94 1uhf s THR 44 Cb -0.11 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1uhf s THR 44 CO 0.30 -0.17 0.36 -0.83 -0.69 0.00 0.00 174.62 173.59 1uhf s GLY 45 N 1.73 1.61 0.01 4.40 0.00 -0.51 -2.19 107.32 112.37 1uhf s GLY 45 Ca 0.19 -1.51 -0.00 0.00 0.00 0.00 0.00 44.72 43.41 1uhf s GLY 45 CO 0.13 -1.45 -0.02 -0.45 0.00 0.00 0.00 173.10 171.31 1uhf s SER 46 N -4.05 0.14 -0.17 1.64 0.15 0.62 -2.53 113.70 109.51 1uhf s SER 46 Ca 0.41 -0.30 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 1uhf s SER 46 Cb -0.08 0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.35 1uhf s SER 46 CO 0.28 -0.18 0.08 -0.63 1.20 0.00 0.00 173.24 173.99 1uhf s ILE 47 N -0.88 0.05 0.00 6.45 1.01 -0.60 -0.70 121.20 126.52 1uhf s ILE 47 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1uhf s ILE 47 Cb -0.06 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1uhf s ILE 47 CO -0.01 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1uhf n GLY 48 N 5.23 0.33 0.70 6.18 0.00 -1.26 -0.01 105.19 116.36 1uhf n GLY 48 Ca -0.07 0.32 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.19 0.06 -4.74 1.61 2.03 -1.26 -5.10 116.55 110.34 1uhf n ASP 49 Ca 0.00 -1.71 -0.31 0.00 0.52 0.00 0.00 54.79 53.28 1uhf n ASP 49 Cb 0.00 -0.11 -0.07 0.00 -0.72 0.00 0.00 41.12 40.21 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 2.83 0.01 -0.67 0.52 0.99 -5.12 118.95 117.51 1uhf s ARG 50 Ca 0.05 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1uhf s ARG 50 Cb 0.06 -2.71 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 1uhf s ARG 50 CO -0.03 0.59 -0.01 -1.54 0.02 0.00 0.00 175.30 174.33 1uhf s SER 51 N -2.05 0.09 0.00 0.23 1.04 -1.26 -1.56 113.70 110.19 1uhf s SER 51 Ca 0.25 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1uhf s SER 51 Cb -0.12 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1uhf s SER 51 CO 0.17 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1uhf n GLY 52 N 2.64 -1.29 3.87 7.32 0.00 -1.05 -4.61 105.19 112.07 1uhf n GLY 52 Ca -0.16 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.86 4.28 0.15 -0.61 -4.36 0.06 -1.43 121.20 116.44 1uhf s ILE 53 Ca 0.00 -1.29 -0.24 0.00 -0.26 0.00 0.00 60.65 58.86 1uhf s ILE 53 Cb 0.00 -3.41 0.07 0.00 1.25 0.00 0.00 42.46 40.37 1uhf s ILE 53 CO 0.00 -0.28 0.66 0.72 0.24 0.00 0.00 174.94 176.28 1uhf s PHE 54 N -2.16 -0.47 -0.16 1.37 -0.12 -0.60 -0.90 117.98 114.94 1uhf s PHE 54 Ca 0.36 0.24 -0.29 0.00 -0.05 0.00 0.00 56.93 57.20 1uhf s PHE 54 Cb -0.08 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1uhf s PHE 54 CO 0.27 -0.85 1.27 -1.25 -0.05 0.00 0.00 175.22 174.61 1uhf s PRO 55 N -3.67 4.23 0.00 1.99 0.04 -1.26 -2.49 135.00 133.83 1uhf s PRO 55 Ca 0.03 1.68 0.15 0.00 0.04 0.00 0.00 61.00 62.89 1uhf s PRO 55 Cb -0.02 -3.77 0.73 0.00 0.04 0.00 0.00 34.50 31.49 1uhf s PRO 55 CO -0.10 -0.71 1.44 -1.13 0.04 0.00 0.00 177.00 176.54 1uhf n SER 56 N 6.61 0.00 -0.89 6.66 3.41 -1.21 -1.07 113.62 127.13 1uhf n SER 56 Ca 0.14 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 1uhf n SER 56 Cb 0.45 -0.34 0.27 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.34 2.69 -0.12 4.04 5.15 -1.26 -3.80 115.26 120.62 1uhf n ASN 57 Ca 0.06 -1.87 0.01 0.00 -0.60 0.00 0.00 54.58 52.18 1uhf n ASN 57 Cb 0.13 -0.15 0.02 0.00 -0.53 0.00 0.00 39.78 39.25 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 1.01 0.02 -4.56 1.20 4.02 -0.24 -4.98 117.16 113.63 1uhf n TYR 58 Ca 0.17 -0.08 -0.22 0.00 -0.01 0.00 0.00 57.90 57.77 1uhf n TYR 58 Cb 0.50 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.36 1.09 0.26 -0.72 -7.23 -1.21 0.14 120.40 112.37 1uhf s VAL 59 Ca 0.04 -0.68 0.11 0.00 -1.81 0.00 0.00 61.98 59.64 1uhf s VAL 59 Cb 0.02 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.99 1uhf s VAL 59 CO 0.04 0.24 -0.12 -1.59 -0.31 0.00 0.00 175.10 173.35 1uhf s LYS 60 N -0.51 1.94 -0.20 4.82 -2.85 -0.25 -4.89 119.74 117.80 1uhf s LYS 60 Ca 0.04 -1.58 -0.29 0.00 -1.00 0.00 0.00 55.97 53.14 1uhf s LYS 60 Cb -0.06 -1.96 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 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 -3.47 4.14 -0.64 1.78 0.04 -1.26 0.20 135.00 135.80 1uhf s PRO 61 Ca 0.30 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1uhf s PRO 61 Cb -0.06 -3.81 -0.11 0.00 0.04 0.00 0.00 34.50 30.56 1uhf s PRO 61 CO 0.17 -0.83 2.47 1.17 0.04 0.00 0.00 177.00 180.02 1uhf n LYS 62 N 6.82 0.76 -0.76 4.56 4.81 -0.76 -4.83 118.16 128.75 1uhf n LYS 62 Ca 0.14 -0.10 -0.32 0.00 -0.87 0.00 0.00 58.31 57.16 1uhf n LYS 62 Cb 0.45 -3.03 0.14 0.00 0.02 0.00 0.00 35.03 32.61 1uhf n LYS 62 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1uhf n ASP 63 N 14.91 -1.33 0.26 3.14 9.92 -1.26 -4.91 116.55 137.28 1uhf n ASP 63 Ca 0.45 0.36 -0.16 0.00 -0.53 0.00 0.00 54.79 54.91 1uhf n ASP 63 Cb 0.42 -1.29 -0.08 0.00 -0.64 0.00 0.00 41.12 39.53 1uhf n ASP 63 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1uhf h SER 64 N -1.67 -0.77 -4.32 -2.24 0.02 -2.01 -3.49 113.55 99.07 1uhf h SER 64 Ca -0.43 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1uhf h SER 64 Cb 1.28 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1uhf h SER 64 CO 0.36 -0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.20 1uhf n GLY 65 N -1.43 4.15 0.17 -3.77 0.00 -1.26 -5.01 105.19 98.04 1uhf n GLY 65 Ca -0.11 -1.53 -0.06 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.31 -7.15 1.61 0.13 -2.05 -3.46 132.00 120.77 1uhf h PRO 66 Ca 0.00 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.62 1uhf h PRO 66 Cb 0.00 0.07 0.14 0.00 0.13 0.00 0.00 31.00 31.34 1uhf h PRO 66 CO 0.00 -0.15 0.42 0.45 -0.23 0.00 0.00 178.00 178.49 1uhf s SER 67 N -5.21 4.52 -0.19 1.44 0.15 -1.26 -5.00 113.70 108.15 1uhf s SER 67 Ca -0.06 2.37 -0.08 0.00 0.70 0.00 0.00 55.95 58.89 1uhf s SER 67 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1uhf s SER 67 CO 0.19 -2.05 0.08 -0.44 1.20 0.00 0.00 173.24 172.22 1uhf s SER 68 N -1.89 5.77 0.00 5.45 0.01 -1.26 -5.15 113.70 116.62 1uhf s SER 68 Ca 0.76 0.12 0.03 0.00 1.31 0.00 0.00 55.95 58.16 1uhf s SER 68 Cb -0.30 -1.99 0.18 0.00 0.21 0.00 0.00 66.02 64.12 1uhf s SER 68 CO 0.42 0.18 0.67 0.61 0.41 0.00 0.00 173.24 175.52