#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 2.66 -0.06 1.61 0.01 -1.26 -4.91 113.70 111.75 1uhf s SER 2 Ca 0.00 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 1uhf s SER 2 Cb 0.00 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1uhf s SER 2 CO 0.00 -0.00 0.02 -0.24 0.41 0.00 0.00 173.24 173.42 1uhf n SER 3 N 4.42 -6.64 -4.49 2.44 2.88 -1.26 -4.98 113.62 105.99 1uhf n SER 3 Ca -0.18 0.75 -0.24 0.00 -1.33 0.00 0.00 58.87 57.87 1uhf n SER 3 Cb 0.51 -2.37 0.13 0.00 -0.75 0.00 0.00 64.21 61.72 1uhf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhf n GLY 4 N 1.53 0.44 0.62 0.46 0.00 -1.26 -5.07 105.19 101.91 1uhf n GLY 4 Ca -0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.00 1.40 -3.64 1.61 2.88 -1.26 -5.10 113.62 106.51 1uhf n SER 5 Ca 0.17 0.21 -0.03 0.00 -1.33 0.00 0.00 58.87 57.88 1uhf n SER 5 Cb 0.59 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 1uhf n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhf s SER 6 N -5.88 -0.42 0.00 -3.46 0.15 -1.26 -5.16 113.70 97.67 1uhf s SER 6 Ca -0.12 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1uhf s SER 6 Cb 0.02 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1uhf s SER 6 CO 0.18 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1uhf n GLY 7 N 3.15 3.63 3.14 9.45 0.00 -1.26 -5.18 105.19 118.13 1uhf n GLY 7 Ca -0.16 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 0.73 -0.16 -0.02 0.00 -1.26 -4.52 107.32 102.09 1uhf s GLY 8 Ca 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 1uhf s GLY 8 CO 0.00 -1.13 -0.09 -0.54 0.00 0.00 0.00 173.10 171.34 1uhf s GLU 9 N -2.45 3.40 -0.21 2.90 2.02 0.38 -4.91 118.70 119.82 1uhf s GLU 9 Ca 0.01 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1uhf s GLU 9 Cb -0.05 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1uhf s GLU 9 CO -0.00 0.06 1.05 -1.21 0.02 0.00 0.00 175.26 175.19 1uhf s GLU 10 N 0.76 4.27 0.06 1.61 8.01 -1.26 -0.99 118.70 131.17 1uhf s GLU 10 Ca -0.04 1.39 0.05 0.00 0.01 0.00 0.00 54.97 56.38 1uhf s GLU 10 Cb -0.15 -3.64 -0.03 0.00 -4.31 0.00 0.00 34.13 26.00 1uhf s GLU 10 CO 0.02 -0.60 -0.14 0.71 0.01 0.00 0.00 175.26 175.25 1uhf s TYR 11 N 3.09 1.25 -0.12 1.61 1.51 -0.65 -1.05 117.35 122.99 1uhf s TYR 11 Ca 0.45 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1uhf s TYR 11 Cb -0.16 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1uhf s TYR 11 CO 0.08 0.06 0.03 0.42 -1.11 0.00 0.00 175.55 175.03 1uhf s ILE 12 N -1.14 4.57 -0.06 2.71 -1.09 0.11 -1.29 121.20 125.01 1uhf s ILE 12 Ca -0.01 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 57.98 1uhf s ILE 12 Cb -0.09 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 1uhf s ILE 12 CO 0.02 0.57 1.31 0.00 -1.23 0.00 0.00 174.94 175.61 1uhf s ALA 13 N -0.54 3.57 -0.05 9.38 0.00 -0.69 -0.45 121.76 132.97 1uhf s ALA 13 Ca 0.10 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 1uhf s ALA 13 Cb -0.12 -3.58 -0.23 0.00 0.00 0.00 0.00 23.12 19.19 1uhf s ALA 13 CO 0.02 -0.95 1.06 -0.07 0.00 0.00 0.00 175.76 175.83 1uhf h LEU 14 N 8.72 0.15 -8.71 0.00 3.38 -1.79 -1.73 115.31 115.33 1uhf h LEU 14 Ca -0.34 -0.73 -0.39 0.00 0.09 0.00 0.00 57.88 56.51 1uhf h LEU 14 Cb 1.16 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 1uhf h LEU 14 CO 0.91 0.86 -0.73 -0.31 0.09 0.00 0.00 178.44 179.25 1uhf s TYR 15 N -3.31 1.44 -0.38 1.13 1.51 -1.26 -4.72 117.35 111.76 1uhf s TYR 15 Ca -0.16 -0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 54.97 1uhf s TYR 15 Cb 0.01 -0.71 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 1uhf s TYR 15 CO 0.72 0.18 1.40 -1.25 -1.11 0.00 0.00 175.55 175.49 1uhf s PRO 16 N -3.39 3.64 -0.27 -1.71 0.04 -1.26 -3.94 135.00 128.10 1uhf s PRO 16 Ca 0.16 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 1uhf s PRO 16 Cb -0.01 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1uhf s PRO 16 CO 0.03 -1.47 0.04 -0.47 0.04 0.00 0.00 177.00 175.17 1uhf s TYR 17 N 5.23 3.10 0.11 0.56 5.04 -0.57 -4.85 117.35 125.97 1uhf s TYR 17 Ca 0.61 -0.96 0.10 0.00 -2.44 0.00 0.00 57.07 54.37 1uhf s TYR 17 Cb -0.15 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.92 1uhf s TYR 17 CO 0.31 -0.56 -0.24 -1.12 -1.34 0.00 0.00 175.55 172.59 1uhf s SER 18 N 1.49 2.96 -0.30 4.32 0.01 -1.26 -1.07 113.70 119.86 1uhf s SER 18 Ca 0.03 -0.69 -0.16 0.00 1.31 0.00 0.00 55.95 56.44 1uhf s SER 18 Cb -0.16 -0.20 0.17 0.00 0.21 0.00 0.00 66.02 66.04 1uhf s SER 18 CO 0.01 0.14 1.06 -0.55 0.41 0.00 0.00 173.24 174.32 1uhf s SER 19 N -1.86 -0.43 -1.31 2.44 0.15 -1.26 -5.04 113.70 106.40 1uhf s SER 19 Ca 0.11 0.61 -0.09 0.00 0.70 0.00 0.00 55.95 57.28 1uhf s SER 19 Cb -0.10 1.40 -0.11 0.00 -1.71 0.00 0.00 66.02 65.49 1uhf s SER 19 CO 0.05 -0.09 2.99 1.33 1.20 0.00 0.00 173.24 178.72 1uhf n VAL 20 N 4.43 3.95 -4.86 4.45 0.24 -1.26 -4.71 118.33 120.57 1uhf n VAL 20 Ca -0.12 -2.31 -0.33 0.00 -2.04 0.00 0.00 64.34 59.55 1uhf n VAL 20 Cb 0.55 -2.48 -0.15 0.00 -1.47 0.00 0.00 33.84 30.29 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 2.09 3.30 -0.12 7.34 2.02 -1.26 -5.00 118.70 127.05 1uhf s GLU 21 Ca 0.67 -0.74 -0.05 0.00 0.02 0.00 0.00 54.97 54.87 1uhf s GLU 21 Cb 0.19 -2.56 -0.19 0.00 0.10 0.00 0.00 34.13 31.68 1uhf s GLU 21 CO -0.05 0.19 2.81 -0.35 0.02 0.00 0.00 175.26 177.89 1uhf n PRO 22 N 3.57 1.63 0.00 0.39 -0.04 -1.26 -2.72 135.00 136.57 1uhf n PRO 22 Ca -0.18 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1uhf n PRO 22 Cb 0.53 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 2.73 0.15 3.72 0.55 0.00 -1.26 -5.12 105.19 105.96 1uhf n GLY 23 Ca 0.35 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.94 7.41 -0.23 1.61 1.11 -1.10 0.06 116.67 124.58 1uhf s ASP 24 Ca 0.00 1.69 -0.29 0.00 0.18 0.00 0.00 52.55 54.13 1uhf s ASP 24 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1uhf s ASP 24 CO 0.00 -0.15 1.18 -0.22 1.18 0.00 0.00 175.17 177.16 1uhf s LEU 25 N 0.49 4.07 -0.19 1.23 2.96 0.29 -4.63 118.68 122.90 1uhf s LEU 25 Ca 0.48 1.42 -0.20 0.00 -0.22 0.00 0.00 54.13 55.62 1uhf s LEU 25 Cb -0.22 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 1uhf s LEU 25 CO 0.28 -0.81 0.59 0.42 -1.32 0.00 0.00 176.35 175.51 1uhf s THR 26 N 3.59 5.06 0.30 3.68 -4.23 -1.26 -4.79 115.64 118.00 1uhf s THR 26 Ca 0.51 1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 62.07 1uhf s THR 26 Cb -0.17 -3.91 -0.00 0.00 1.34 0.00 0.00 72.50 69.75 1uhf s THR 26 CO 0.14 0.15 0.43 0.72 -0.54 0.00 0.00 174.62 175.52 1uhf s PHE 27 N 1.71 0.93 0.41 3.99 -0.12 -0.23 -5.02 117.98 119.65 1uhf s PHE 27 Ca 0.27 -1.18 0.06 0.00 -0.05 0.00 0.00 56.93 56.03 1uhf s PHE 27 Cb -0.16 -0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.07 1uhf s PHE 27 CO 0.10 -1.04 0.02 0.95 -0.05 0.00 0.00 175.22 175.20 1uhf s THR 28 N -3.42 1.75 0.02 -4.49 -4.23 -1.26 -1.51 115.64 102.50 1uhf s THR 28 Ca 0.30 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.50 1uhf s THR 28 Cb 0.00 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.94 1uhf s THR 28 CO 0.17 0.00 1.45 -0.70 -0.54 0.00 0.00 174.62 175.00 1uhf s GLU 29 N -3.76 4.27 0.00 3.99 -6.30 -1.25 -2.23 118.70 113.41 1uhf s GLU 29 Ca 0.31 2.05 0.00 0.00 -2.50 0.00 0.00 54.97 54.83 1uhf s GLU 29 Cb 0.09 -3.55 0.00 0.00 0.00 0.00 0.00 34.13 30.67 1uhf s GLU 29 CO 0.16 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.25 1uhf n GLY 30 N 3.70 2.87 3.69 -1.50 0.00 -0.65 -4.90 105.19 108.39 1uhf n GLY 30 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1uhf n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uhf s GLU 31 N -0.53 1.36 -0.40 1.61 0.41 -0.95 -4.62 118.70 115.58 1uhf s GLU 31 Ca 0.00 1.69 -0.09 0.00 -0.41 0.00 0.00 54.97 56.16 1uhf s GLU 31 Cb 0.00 -1.75 0.07 0.00 -1.78 0.00 0.00 34.13 30.67 1uhf s GLU 31 CO 0.00 -2.41 0.23 -1.21 -0.49 0.00 0.00 175.26 171.38 1uhf s GLU 32 N -4.34 2.60 -0.22 1.61 2.02 -1.26 -1.71 118.70 117.40 1uhf s GLU 32 Ca 0.71 -1.41 -0.12 0.00 0.02 0.00 0.00 54.97 54.17 1uhf s GLU 32 Cb -0.26 -3.72 -0.05 0.00 0.10 0.00 0.00 34.13 30.20 1uhf s GLU 32 CO 0.54 -0.90 0.24 0.42 0.02 0.00 0.00 175.26 175.57 1uhf s ILE 33 N 1.42 5.31 -0.46 -1.63 1.01 -0.41 -4.69 121.20 121.75 1uhf s ILE 33 Ca 0.02 0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.87 1uhf s ILE 33 Cb -0.22 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.72 1uhf s ILE 33 CO 0.02 0.33 0.45 -0.22 0.00 0.00 0.00 174.94 175.52 1uhf s LEU 34 N 1.03 5.23 -0.20 2.97 2.96 0.10 -1.64 118.68 129.12 1uhf s LEU 34 Ca 0.12 -1.02 -0.22 0.00 -0.22 0.00 0.00 54.13 52.78 1uhf s LEU 34 Cb -0.14 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 1uhf s LEU 34 CO 0.05 -0.66 0.70 -0.69 -1.32 0.00 0.00 176.35 174.42 1uhf s VAL 35 N 2.00 4.96 -0.01 1.68 1.01 -0.16 -1.00 120.40 128.88 1uhf s VAL 35 Ca 0.09 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1uhf s VAL 35 Cb -0.21 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1uhf s VAL 35 CO 0.10 0.06 0.13 0.35 0.00 0.00 0.00 175.10 175.74 1uhf n THR 36 N 4.81 0.02 -3.88 3.92 -2.24 -1.07 0.14 114.28 115.98 1uhf n THR 36 Ca 0.01 -0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 1uhf n THR 36 Cb 0.49 0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.41 0.40 -0.35 -0.78 -0.21 -1.23 -4.85 119.66 110.24 1uhf s GLN 37 Ca -0.02 0.10 0.01 0.00 0.02 0.00 0.00 55.36 55.47 1uhf s GLN 37 Cb 0.04 -0.66 0.09 0.00 1.00 0.00 0.00 33.01 33.48 1uhf s GLN 37 CO 0.25 -0.20 0.07 0.15 -2.12 0.00 0.00 175.29 173.45 1uhf s LYS 38 N 1.40 1.85 -0.36 2.91 1.02 -1.26 0.11 119.74 125.41 1uhf s LYS 38 Ca -0.04 -1.72 -0.03 0.00 0.02 0.00 0.00 55.97 54.19 1uhf s LYS 38 Cb -0.13 -3.29 0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1uhf s LYS 38 CO -0.03 -0.90 0.11 0.34 -0.92 0.00 0.00 175.35 173.96 1uhf s ASP 39 N 1.26 5.14 0.43 2.83 2.15 -1.20 -4.99 116.67 122.27 1uhf s ASP 39 Ca 0.06 -1.57 0.00 0.00 0.43 0.00 0.00 52.55 51.46 1uhf s ASP 39 Cb -0.20 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1uhf s ASP 39 CO -0.06 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 1uhf n GLY 40 N 4.65 1.41 0.13 2.66 0.00 -1.26 -3.59 105.19 109.19 1uhf n GLY 40 Ca -0.08 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 0.37 -5.97 1.61 4.39 -1.99 -3.43 114.58 109.56 1uhf h GLU 41 Ca 0.00 -0.46 -0.57 0.00 0.34 0.00 0.00 59.36 58.67 1uhf h GLU 41 Cb 0.00 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.74 1uhf h GLU 41 CO 0.00 1.15 0.12 -1.58 -1.16 0.00 0.00 179.01 177.54 1uhf s TRP 42 N -2.92 3.53 0.31 4.33 0.52 -1.24 -3.71 118.94 119.77 1uhf s TRP 42 Ca -0.13 1.20 0.08 0.00 0.02 0.00 0.00 56.10 57.27 1uhf s TRP 42 Cb 0.02 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 1uhf s TRP 42 CO 0.82 0.02 0.14 -1.58 0.02 0.00 0.00 176.95 176.38 1uhf s TRP 43 N 1.08 2.79 -0.33 -1.98 0.51 -1.20 -3.28 118.94 116.53 1uhf s TRP 43 Ca 0.36 -0.30 -0.16 0.00 -2.12 0.00 0.00 56.10 53.88 1uhf s TRP 43 Cb -0.17 -1.54 -0.01 0.00 -0.81 0.00 0.00 33.47 30.93 1uhf s TRP 43 CO 0.16 0.39 0.43 0.99 -0.51 0.00 0.00 176.95 178.41 1uhf s THR 44 N -2.35 5.11 0.46 2.01 2.01 0.30 -2.97 115.64 120.21 1uhf s THR 44 Ca 0.36 0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.68 1uhf s THR 44 Cb -0.05 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1uhf s THR 44 CO 0.23 -0.11 0.46 -0.83 -0.69 0.00 0.00 174.62 173.68 1uhf s GLY 45 N 1.73 2.11 0.06 4.40 0.00 -0.94 -2.58 107.32 112.09 1uhf s GLY 45 Ca 0.15 -1.78 -0.12 0.00 0.00 0.00 0.00 44.72 42.97 1uhf s GLY 45 CO 0.12 -1.72 0.26 -0.56 0.00 0.00 0.00 173.10 171.20 1uhf s SER 46 N -4.25 -0.03 -0.17 1.64 0.01 -0.17 -3.01 113.70 107.71 1uhf s SER 46 Ca 0.48 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 1uhf s SER 46 Cb -0.04 0.35 0.06 0.00 0.21 0.00 0.00 66.02 66.59 1uhf s SER 46 CO 0.29 -0.65 0.08 -0.63 0.41 0.00 0.00 173.24 172.73 1uhf s ILE 47 N -2.98 0.05 0.00 1.44 1.01 -1.22 -0.72 121.20 118.78 1uhf s ILE 47 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1uhf s ILE 47 Cb 0.01 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1uhf s ILE 47 CO -0.06 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1uhf n GLY 48 N 5.23 0.52 0.89 6.18 0.00 -1.26 -1.05 105.19 115.70 1uhf n GLY 48 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 1.46 -0.79 -4.90 1.61 8.00 -1.26 -5.14 116.55 115.53 1uhf n ASP 49 Ca 0.00 -1.70 -0.20 0.00 0.71 0.00 0.00 54.79 53.60 1uhf n ASP 49 Cb 0.00 0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 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 2.61 -0.05 -1.24 0.52 -0.22 -5.14 118.95 115.44 1uhf s ARG 50 Ca 0.00 -1.45 -0.10 0.00 -0.52 0.00 0.00 55.73 53.66 1uhf s ARG 50 Cb 0.00 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 33.03 1uhf s ARG 50 CO 0.00 -0.17 0.24 -1.54 0.02 0.00 0.00 175.30 173.85 1uhf s SER 51 N -4.15 -0.17 0.00 0.23 1.04 -1.26 -3.37 113.70 106.02 1uhf s SER 51 Ca 0.48 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1uhf s SER 51 Cb -0.05 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1uhf s SER 51 CO 0.29 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1uhf n GLY 52 N 2.06 -0.05 3.91 7.32 0.00 -1.16 -4.69 105.19 112.57 1uhf n GLY 52 Ca -0.18 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 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 4.98 0.16 -0.61 -4.36 0.11 -2.22 121.20 117.26 1uhf s ILE 53 Ca 0.00 -1.03 -0.23 0.00 -0.26 0.00 0.00 60.65 59.12 1uhf s ILE 53 Cb 0.00 -3.65 0.06 0.00 1.25 0.00 0.00 42.46 40.13 1uhf s ILE 53 CO 0.00 -0.25 0.67 0.72 0.24 0.00 0.00 174.94 176.32 1uhf s PHE 54 N -1.93 -0.44 -0.23 1.37 -0.12 -1.16 0.10 117.98 115.58 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 -0.09 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1uhf s PHE 54 CO 0.27 -0.88 1.31 -1.25 -0.05 0.00 0.00 175.22 174.62 1uhf s PRO 55 N -3.69 4.06 0.08 1.99 0.04 -1.26 -3.23 135.00 132.99 1uhf s PRO 55 Ca 0.04 1.48 0.11 0.00 0.04 0.00 0.00 61.00 62.67 1uhf s PRO 55 Cb -0.02 -3.84 0.51 0.00 0.04 0.00 0.00 34.50 31.19 1uhf s PRO 55 CO -0.08 -0.94 1.35 -1.13 0.04 0.00 0.00 177.00 176.24 1uhf n SER 56 N 7.20 0.17 -0.39 6.66 3.41 -1.24 -0.39 113.62 129.04 1uhf n SER 56 Ca 0.15 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 1uhf n SER 56 Cb 0.46 -0.59 0.47 0.00 -0.26 0.00 0.00 64.21 64.29 1uhf n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uhf n ASN 57 N -1.70 1.17 -0.70 4.04 3.02 -1.26 -3.46 115.26 116.37 1uhf n ASN 57 Ca 0.01 -1.57 0.06 0.00 -0.03 0.00 0.00 54.58 53.05 1uhf n ASN 57 Cb 0.10 -0.06 0.18 0.00 -0.61 0.00 0.00 39.78 39.38 1uhf n ASN 57 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1uhf n TYR 58 N -0.02 0.00 -3.81 3.10 4.02 0.48 -5.00 117.16 115.92 1uhf n TYR 58 Ca 0.16 -1.30 -0.12 0.00 -0.01 0.00 0.00 57.90 56.63 1uhf n TYR 58 Cb 0.26 -0.23 -0.11 0.00 -0.02 0.00 0.00 39.34 39.24 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 -2.71 0.03 0.23 -0.72 -7.23 -1.22 -2.28 120.40 106.50 1uhf s VAL 59 Ca 0.37 -0.23 0.10 0.00 -1.81 0.00 0.00 61.98 60.40 1uhf s VAL 59 Cb 0.36 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.87 1uhf s VAL 59 CO -0.08 -0.13 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.81 1uhf s LYS 60 N -0.44 1.49 -0.19 4.82 -2.85 0.41 -4.90 119.74 118.07 1uhf s LYS 60 Ca -0.05 -1.63 -0.29 0.00 -1.00 0.00 0.00 55.97 53.00 1uhf s LYS 60 Cb -0.04 -1.52 -0.01 0.00 -2.06 0.00 0.00 37.83 34.20 1uhf s LYS 60 CO 0.01 0.29 1.29 -1.25 0.10 0.00 0.00 175.35 175.79 1uhf s PRO 61 N -3.32 4.15 -0.72 1.78 0.04 -1.26 0.08 135.00 135.75 1uhf s PRO 61 Ca 0.24 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 1uhf s PRO 61 Cb -0.04 -3.80 -0.15 0.00 0.04 0.00 0.00 34.50 30.55 1uhf s PRO 61 CO 0.11 -0.82 2.46 1.17 0.04 0.00 0.00 177.00 179.96 1uhf n LYS 62 N 6.81 0.60 -4.15 4.56 4.81 -0.22 -4.84 118.16 125.73 1uhf n LYS 62 Ca 0.14 -0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.29 1uhf n LYS 62 Cb 0.45 -2.80 -0.11 0.00 0.02 0.00 0.00 35.03 32.60 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 10.08 1.24 0.01 3.14 -1.08 -1.26 -5.00 116.67 123.79 1uhf s ASP 63 Ca 1.10 -0.84 -0.26 0.00 -0.52 0.00 0.00 52.55 52.03 1uhf s ASP 63 Cb -0.49 0.04 0.06 0.00 -1.46 0.00 0.00 42.92 41.07 1uhf s ASP 63 CO 0.31 -0.32 0.60 -0.44 0.52 0.00 0.00 175.17 175.83 1uhf s SER 64 N -2.51 -0.55 0.00 -0.34 0.01 -1.26 -5.17 113.70 103.88 1uhf s SER 64 Ca 0.05 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1uhf s SER 64 Cb -0.01 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1uhf s SER 64 CO -0.02 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1uhf n GLY 65 N 0.62 2.58 0.11 3.44 0.00 -1.26 -5.03 105.19 105.65 1uhf n GLY 65 Ca -0.19 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 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 0.27 -0.20 1.61 0.13 -2.09 -3.46 132.00 128.26 1uhf h PRO 66 Ca 0.00 -0.26 0.24 0.00 -0.87 0.00 0.00 66.00 65.12 1uhf h PRO 66 Cb 0.00 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 31.00 1uhf h PRO 66 CO 0.00 0.95 0.09 0.45 -0.23 0.00 0.00 178.00 179.26 1uhf s SER 67 N -6.41 -0.31 -0.48 1.44 0.15 -1.26 -5.12 113.70 101.71 1uhf s SER 67 Ca -0.15 0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.36 1uhf s SER 67 Cb 0.02 1.22 0.03 0.00 -1.71 0.00 0.00 66.02 65.58 1uhf s SER 67 CO 0.77 -0.06 0.85 -0.55 1.20 0.00 0.00 173.24 175.44 1uhf s SER 68 N 2.97 6.41 0.00 5.45 0.15 -1.26 -5.27 113.70 122.14 1uhf s SER 68 Ca 0.15 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1uhf s SER 68 Cb -0.05 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1uhf s SER 68 CO -0.17 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 173.86