#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 5.05 -0.21 1.61 0.01 -1.26 -4.83 113.70 114.08 1uhf s SER 2 Ca 0.00 -0.81 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 1uhf s SER 2 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.76 1uhf s SER 2 CO 0.00 -2.87 0.43 -0.94 0.41 0.00 0.00 173.24 170.27 1uhf s SER 3 N 7.90 -0.26 0.00 2.44 1.04 -1.26 -5.12 113.70 118.45 1uhf s SER 3 Ca 0.71 0.95 0.00 0.00 0.48 0.00 0.00 55.95 58.09 1uhf s SER 3 Cb -0.06 1.38 0.00 0.00 0.10 0.00 0.00 66.02 67.44 1uhf s SER 3 CO 0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1uhf n GLY 4 N 5.39 -1.92 2.71 7.32 0.00 -1.26 -4.86 105.19 112.57 1uhf n GLY 4 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1uhf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uhf s SER 5 N -2.08 3.31 -0.31 1.61 0.15 -1.26 -5.09 113.70 110.02 1uhf s SER 5 Ca 0.00 -1.11 0.02 0.00 0.70 0.00 0.00 55.95 55.56 1uhf s SER 5 Cb 0.00 -0.63 0.09 0.00 -1.71 0.00 0.00 66.02 63.77 1uhf s SER 5 CO 0.00 -0.36 0.05 -0.55 1.20 0.00 0.00 173.24 173.58 1uhf s SER 6 N 1.83 4.38 0.00 5.45 0.15 -1.26 -5.03 113.70 119.21 1uhf s SER 6 Ca 0.03 -1.81 0.00 0.00 0.70 0.00 0.00 55.95 54.87 1uhf s SER 6 Cb -0.17 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 1uhf s SER 6 CO -0.17 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1uhf n GLY 7 N 4.52 4.02 3.37 9.45 0.00 -1.26 -5.12 105.19 120.17 1uhf n GLY 7 Ca -0.01 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 0.79 -2.24 3.38 -0.02 0.00 -1.26 -4.96 105.19 100.89 1uhf n GLY 8 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.40 3.52 0.11 1.61 8.01 0.28 -4.96 118.70 124.88 1uhf s GLU 9 Ca 0.60 -0.55 -0.30 0.00 0.01 0.00 0.00 54.97 54.73 1uhf s GLU 9 Cb -0.35 -3.12 -0.06 0.00 -4.31 0.00 0.00 34.13 26.29 1uhf s GLU 9 CO 0.63 -0.14 1.13 -1.21 0.01 0.00 0.00 175.26 175.67 1uhf s GLU 10 N 1.41 4.52 0.02 1.61 8.01 -1.26 -1.49 118.70 131.51 1uhf s GLU 10 Ca 0.05 1.71 0.01 0.00 0.01 0.00 0.00 54.97 56.74 1uhf s GLU 10 Cb -0.15 -3.32 -0.02 0.00 -4.31 0.00 0.00 34.13 26.34 1uhf s GLU 10 CO 0.00 -0.07 -0.04 0.71 0.01 0.00 0.00 175.26 175.87 1uhf s TYR 11 N 0.42 0.34 0.05 1.61 2.02 -0.66 -1.92 117.35 119.20 1uhf s TYR 11 Ca 0.53 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1uhf s TYR 11 Cb -0.29 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1uhf s TYR 11 CO 0.32 -0.11 0.15 0.42 -1.57 0.00 0.00 175.55 174.76 1uhf s ILE 12 N -1.00 5.06 -0.43 2.71 -1.09 0.39 -0.97 121.20 125.86 1uhf s ILE 12 Ca -0.09 -0.47 -0.23 0.00 -2.23 0.00 0.00 60.65 57.62 1uhf s ILE 12 Cb -0.07 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1uhf s ILE 12 CO -0.00 0.19 0.79 0.00 -1.23 0.00 0.00 174.94 174.69 1uhf s ALA 13 N -1.41 3.32 0.10 9.38 0.00 -0.79 0.36 121.76 132.73 1uhf s ALA 13 Ca 0.31 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 51.21 1uhf s ALA 13 Cb -0.13 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1uhf s ALA 13 CO 0.23 -1.82 1.47 -0.07 0.00 0.00 0.00 175.76 175.58 1uhf h LEU 14 N 10.06 0.64 -8.48 0.00 3.38 -1.88 0.28 115.31 119.31 1uhf h LEU 14 Ca -0.25 -0.40 -0.39 0.00 0.09 0.00 0.00 57.88 56.94 1uhf h LEU 14 Cb 1.09 -0.18 -0.20 0.00 0.09 0.00 0.00 40.66 41.47 1uhf h LEU 14 CO 0.95 0.89 -0.76 -0.31 0.09 0.00 0.00 178.44 179.30 1uhf s TYR 15 N -4.65 1.22 -0.35 1.13 2.02 -1.26 -4.72 117.35 110.74 1uhf s TYR 15 Ca -0.13 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 55.74 1uhf s TYR 15 Cb 0.08 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 40.98 1uhf s TYR 15 CO 0.80 0.07 1.38 -1.25 -1.57 0.00 0.00 175.55 174.97 1uhf s PRO 16 N -2.29 3.74 -0.29 -1.71 0.04 -1.26 -4.08 135.00 129.14 1uhf s PRO 16 Ca 0.03 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 1uhf s PRO 16 Cb -0.07 -3.96 -0.00 0.00 0.04 0.00 0.00 34.50 30.51 1uhf s PRO 16 CO 0.02 -1.36 0.10 -0.47 0.04 0.00 0.00 177.00 175.34 1uhf s TYR 17 N 4.96 3.15 0.09 0.56 5.04 -0.24 -4.86 117.35 126.05 1uhf s TYR 17 Ca 0.60 -0.74 0.07 0.00 -2.44 0.00 0.00 57.07 54.56 1uhf s TYR 17 Cb -0.16 -2.29 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 1uhf s TYR 17 CO 0.28 -0.50 -0.13 -1.54 -1.34 0.00 0.00 175.55 172.32 1uhf s SER 18 N 1.56 4.21 -0.30 4.32 1.04 -1.26 -2.03 113.70 121.23 1uhf s SER 18 Ca 0.04 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.89 1uhf s SER 18 Cb -0.17 -0.75 0.18 0.00 0.10 0.00 0.00 66.02 65.38 1uhf s SER 18 CO 0.04 0.19 1.11 -0.55 0.98 0.00 0.00 173.24 175.01 1uhf s SER 19 N -2.05 -0.35 -1.11 7.02 0.15 -1.26 -5.04 113.70 111.06 1uhf s SER 19 Ca 0.19 0.32 -0.08 0.00 0.70 0.00 0.00 55.95 57.08 1uhf s SER 19 Cb -0.11 1.33 -0.11 0.00 -1.71 0.00 0.00 66.02 65.42 1uhf s SER 19 CO 0.11 -0.07 2.79 1.33 1.20 0.00 0.00 173.24 178.60 1uhf n VAL 20 N 5.18 3.48 -4.82 4.45 0.24 -1.26 -4.74 118.33 120.86 1uhf n VAL 20 Ca -0.08 -2.02 -0.33 0.00 -2.04 0.00 0.00 64.34 59.87 1uhf n VAL 20 Cb 0.54 -2.35 -0.14 0.00 -1.47 0.00 0.00 33.84 30.42 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 2.31 3.21 -0.13 7.34 0.41 -1.26 -5.00 118.70 125.58 1uhf s GLU 21 Ca 0.59 -0.70 -0.05 0.00 -0.41 0.00 0.00 54.97 54.41 1uhf s GLU 21 Cb 0.18 -2.57 -0.19 0.00 -1.78 0.00 0.00 34.13 29.77 1uhf s GLU 21 CO -0.04 0.29 2.81 -0.35 -0.49 0.00 0.00 175.26 177.48 1uhf n PRO 22 N 3.30 1.64 0.00 0.39 -0.04 -1.26 -2.72 135.00 136.31 1uhf n PRO 22 Ca -0.18 -0.86 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 32.03 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 2.74 0.12 3.71 0.55 0.00 -1.26 -5.12 105.19 105.93 1uhf n GLY 23 Ca 0.35 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.92 7.30 -0.12 1.61 1.11 -1.10 -0.81 116.67 123.74 1uhf s ASP 24 Ca 0.00 1.76 -0.29 0.00 0.18 0.00 0.00 52.55 54.20 1uhf s ASP 24 Cb 0.00 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 1uhf s ASP 24 CO 0.00 -0.30 1.23 -0.22 1.18 0.00 0.00 175.17 177.05 1uhf s LEU 25 N 0.96 4.22 -0.19 1.23 2.96 0.23 -4.65 118.68 123.44 1uhf s LEU 25 Ca 0.53 1.73 -0.18 0.00 -0.22 0.00 0.00 54.13 56.00 1uhf s LEU 25 Cb -0.23 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1uhf s LEU 25 CO 0.28 -0.68 0.47 0.42 -1.32 0.00 0.00 176.35 175.53 1uhf s THR 26 N 2.95 5.15 0.18 3.68 -4.23 -1.26 -4.83 115.64 117.28 1uhf s THR 26 Ca 0.55 0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 61.81 1uhf s THR 26 Cb -0.23 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1uhf s THR 26 CO 0.17 0.22 0.38 0.72 -0.54 0.00 0.00 174.62 175.57 1uhf s PHE 27 N 1.37 0.23 0.48 3.99 -0.12 -0.86 -5.06 117.98 118.01 1uhf s PHE 27 Ca 0.23 -0.58 0.06 0.00 -0.05 0.00 0.00 56.93 56.58 1uhf s PHE 27 Cb -0.15 0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 1uhf s PHE 27 CO 0.09 -0.81 0.24 0.95 -0.05 0.00 0.00 175.22 175.64 1uhf s THR 28 N -3.94 1.88 0.10 -4.49 -4.23 -1.26 -1.08 115.64 102.62 1uhf s THR 28 Ca 0.15 -1.66 -0.31 0.00 -1.18 0.00 0.00 61.69 58.69 1uhf s THR 28 Cb 0.02 -2.55 -0.07 0.00 1.34 0.00 0.00 72.50 71.24 1uhf s THR 28 CO -0.00 0.00 1.32 -0.70 -0.54 0.00 0.00 174.62 174.70 1uhf s GLU 29 N -4.04 4.36 0.00 3.99 -6.30 -1.26 -2.57 118.70 112.88 1uhf s GLU 29 Ca 0.32 1.97 0.00 0.00 -2.50 0.00 0.00 54.97 54.77 1uhf s GLU 29 Cb 0.01 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.86 1uhf s GLU 29 CO 0.19 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1uhf n GLY 30 N 3.38 2.64 3.46 -1.50 0.00 0.97 -4.91 105.19 109.23 1uhf n GLY 30 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.31 -0.41 -3.73 1.61 -0.58 -1.06 -4.53 120.64 111.63 1uhf n GLU 31 Ca 0.00 -0.07 -0.38 0.00 -0.42 0.00 0.00 57.16 56.29 1uhf n GLU 31 Cb 0.00 -1.96 -0.11 0.00 -0.57 0.00 0.00 31.44 28.80 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 -3.84 2.29 -0.23 3.49 2.02 -1.26 -1.88 118.70 119.29 1uhf s GLU 32 Ca 0.59 -1.61 -0.16 0.00 0.02 0.00 0.00 54.97 53.81 1uhf s GLU 32 Cb -0.21 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 1uhf s GLU 32 CO 0.65 -0.97 0.40 0.42 0.02 0.00 0.00 175.26 175.78 1uhf s ILE 33 N 1.26 5.18 -0.55 -1.63 1.01 -0.15 -4.76 121.20 121.56 1uhf s ILE 33 Ca 0.04 0.68 -0.19 0.00 0.00 0.00 0.00 60.65 61.17 1uhf s ILE 33 Cb -0.23 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.60 1uhf s ILE 33 CO -0.01 0.21 0.69 -0.22 0.00 0.00 0.00 174.94 175.60 1uhf s LEU 34 N 1.63 5.09 0.21 2.97 2.96 0.77 -1.65 118.68 130.65 1uhf s LEU 34 Ca 0.18 -1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.68 1uhf s LEU 34 Cb -0.15 -2.39 -0.08 0.00 0.50 0.00 0.00 46.19 44.06 1uhf s LEU 34 CO 0.08 -1.03 0.89 -0.69 -1.32 0.00 0.00 176.35 174.29 1uhf s VAL 35 N 2.77 4.20 0.00 1.68 1.01 -0.56 -0.46 120.40 129.04 1uhf s VAL 35 Ca 0.14 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1uhf s VAL 35 Cb -0.21 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1uhf s VAL 35 CO 0.10 0.49 0.00 0.35 0.00 0.00 0.00 175.10 176.04 1uhf n THR 36 N 1.64 0.00 -4.44 3.92 -2.24 -1.05 -0.55 114.28 111.55 1uhf n THR 36 Ca -0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 1uhf n THR 36 Cb 0.48 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 1uhf n THR 36 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1uhf s GLN 37 N -1.67 3.36 -0.36 -0.78 0.74 -1.23 -4.95 119.66 114.77 1uhf s GLN 37 Ca 0.00 -0.67 -0.01 0.00 0.05 0.00 0.00 55.36 54.73 1uhf s GLN 37 Cb 0.00 -2.75 0.09 0.00 1.10 0.00 0.00 33.01 31.45 1uhf s GLN 37 CO 0.00 0.06 0.10 0.15 -0.55 0.00 0.00 175.29 175.05 1uhf s LYS 38 N 0.77 1.97 -0.41 1.67 1.02 -1.26 0.14 119.74 123.64 1uhf s LYS 38 Ca -0.04 -1.69 -0.06 0.00 0.02 0.00 0.00 55.97 54.20 1uhf s LYS 38 Cb -0.15 -3.36 0.09 0.00 -0.52 0.00 0.00 37.83 33.89 1uhf s LYS 38 CO 0.01 -0.91 0.21 -0.51 -0.92 0.00 0.00 175.35 173.23 1uhf s ASP 39 N 1.42 5.40 0.89 2.83 1.01 -1.16 -4.98 116.67 122.08 1uhf s ASP 39 Ca 0.05 -1.73 0.00 0.00 0.71 0.00 0.00 52.55 51.58 1uhf s ASP 39 Cb -0.21 -1.89 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1uhf s ASP 39 CO -0.05 -0.52 0.00 0.61 0.21 0.00 0.00 175.17 175.42 1uhf n GLY 40 N 4.75 1.50 0.12 0.21 0.00 -1.26 -3.46 105.19 107.05 1uhf n GLY 40 Ca -0.07 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 0.35 -5.98 1.61 4.81 -1.98 -3.44 114.58 109.96 1uhf h GLU 41 Ca 0.00 -0.60 -0.56 0.00 -0.13 0.00 0.00 59.36 58.07 1uhf h GLU 41 Cb 0.00 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 1uhf h GLU 41 CO 0.00 1.29 0.05 -1.58 -0.73 0.00 0.00 179.01 178.03 1uhf s TRP 42 N -2.47 3.57 0.33 0.92 0.52 -1.22 -3.70 118.94 116.89 1uhf s TRP 42 Ca -0.13 1.18 0.08 0.00 0.02 0.00 0.00 56.10 57.26 1uhf s TRP 42 Cb 0.02 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.54 1uhf s TRP 42 CO 0.86 0.10 0.14 -1.58 0.02 0.00 0.00 176.95 176.49 1uhf s TRP 43 N 0.76 2.73 -0.34 -1.98 0.51 -1.13 -3.00 118.94 116.49 1uhf s TRP 43 Ca 0.35 -0.36 -0.16 0.00 -2.12 0.00 0.00 56.10 53.82 1uhf s TRP 43 Cb -0.17 -1.62 -0.01 0.00 -0.81 0.00 0.00 33.47 30.86 1uhf s TRP 43 CO 0.17 0.35 0.39 0.99 -0.51 0.00 0.00 176.95 178.34 1uhf s THR 44 N -2.41 5.14 0.54 2.01 2.01 0.37 -2.18 115.64 121.12 1uhf s THR 44 Ca 0.37 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.55 1uhf s THR 44 Cb -0.03 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.69 1uhf s THR 44 CO 0.23 -0.09 0.75 -0.83 -0.69 0.00 0.00 174.62 173.98 1uhf s GLY 45 N 1.73 1.84 -0.05 4.40 0.00 -0.86 -2.52 107.32 111.86 1uhf s GLY 45 Ca 0.13 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 43.14 1uhf s GLY 45 CO 0.12 -1.29 0.25 -0.45 0.00 0.00 0.00 173.10 171.73 1uhf s SER 46 N -4.48 -0.18 -0.17 1.64 0.15 0.39 -3.06 113.70 107.99 1uhf s SER 46 Ca 0.59 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 57.42 1uhf s SER 46 Cb -0.09 0.40 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1uhf s SER 46 CO 0.38 -0.26 0.07 -0.63 1.20 0.00 0.00 173.24 173.99 1uhf s ILE 47 N -0.66 0.10 0.00 6.45 1.01 -0.77 -0.17 121.20 127.16 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 -0.04 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1uhf s ILE 47 CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1uhf n GLY 48 N 5.21 0.27 0.79 6.18 0.00 -1.26 -0.43 105.19 115.95 1uhf n GLY 48 Ca -0.07 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 1.14 -0.19 -4.70 1.61 8.00 -1.26 -5.12 116.55 116.03 1uhf n ASP 49 Ca 0.00 -1.61 -0.26 0.00 0.71 0.00 0.00 54.79 53.63 1uhf n ASP 49 Cb 0.00 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 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 2.52 0.12 -1.24 0.52 0.43 -5.13 118.95 116.16 1uhf s ARG 50 Ca 0.04 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1uhf s ARG 50 Cb 0.05 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 1uhf s ARG 50 CO -0.02 0.45 0.05 0.45 0.02 0.00 0.00 175.30 176.25 1uhf s SER 51 N -3.04 0.33 0.00 0.23 0.15 -1.26 -1.85 113.70 108.26 1uhf s SER 51 Ca 0.29 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1uhf s SER 51 Cb -0.09 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1uhf s SER 51 CO 0.20 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1uhf n GLY 52 N -0.06 -1.76 3.74 9.45 0.00 -1.17 -4.54 105.19 110.85 1uhf n GLY 52 Ca -0.07 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.76 4.03 0.16 -0.61 -4.36 0.01 -2.02 121.20 115.65 1uhf s ILE 53 Ca 0.00 -1.48 -0.23 0.00 -0.26 0.00 0.00 60.65 58.67 1uhf s ILE 53 Cb 0.00 -3.11 0.07 0.00 1.25 0.00 0.00 42.46 40.66 1uhf s ILE 53 CO 0.00 -0.26 0.67 0.72 0.24 0.00 0.00 174.94 176.31 1uhf s PHE 54 N -2.02 -0.44 -0.24 1.37 -0.12 -0.93 -0.60 117.98 115.00 1uhf s PHE 54 Ca 0.31 0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 57.09 1uhf s PHE 54 Cb -0.08 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1uhf s PHE 54 CO 0.22 -0.88 1.32 -1.25 -0.05 0.00 0.00 175.22 174.58 1uhf s PRO 55 N -3.68 4.03 0.14 1.99 0.04 -1.26 -2.84 135.00 133.42 1uhf s PRO 55 Ca 0.04 1.46 0.14 0.00 0.04 0.00 0.00 61.00 62.67 1uhf s PRO 55 Cb -0.02 -3.85 0.64 0.00 0.04 0.00 0.00 34.50 31.31 1uhf s PRO 55 CO -0.08 -0.97 1.42 -1.13 0.04 0.00 0.00 177.00 176.27 1uhf n SER 56 N 7.29 0.28 -0.45 6.66 3.41 -1.24 -0.05 113.62 129.52 1uhf n SER 56 Ca 0.15 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.49 1uhf n SER 56 Cb 0.46 -0.65 0.50 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.85 1.38 -0.55 4.04 5.15 -1.26 -3.57 115.26 118.61 1uhf n ASN 57 Ca 0.01 -1.54 0.06 0.00 -0.60 0.00 0.00 54.58 52.51 1uhf n ASN 57 Cb 0.09 -0.04 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 0.10 0.00 -3.80 1.20 4.02 0.93 -5.00 117.16 114.61 1uhf n TYR 58 Ca 0.18 -1.41 -0.13 0.00 -0.01 0.00 0.00 57.90 56.54 1uhf n TYR 58 Cb 0.31 -0.23 -0.12 0.00 -0.02 0.00 0.00 39.34 39.28 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 -3.11 0.01 0.18 -0.72 -7.23 -1.23 -3.29 120.40 105.00 1uhf s VAL 59 Ca 0.37 -0.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.59 1uhf s VAL 59 Cb 0.36 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.92 1uhf s VAL 59 CO -0.06 -0.03 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.92 1uhf s LYS 60 N -0.01 1.69 -0.21 4.82 -2.85 0.16 -4.88 119.74 118.45 1uhf s LYS 60 Ca -0.01 -1.41 -0.29 0.00 -1.00 0.00 0.00 55.97 53.26 1uhf s LYS 60 Cb -0.02 -1.96 -0.01 0.00 -2.06 0.00 0.00 37.83 33.78 1uhf s LYS 60 CO 0.00 0.42 1.30 -1.25 0.10 0.00 0.00 175.35 175.93 1uhf s PRO 61 N -2.63 4.10 -0.71 1.78 0.04 -1.26 0.15 135.00 136.47 1uhf s PRO 61 Ca 0.21 1.54 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 1uhf s PRO 61 Cb -0.09 -3.82 -0.14 0.00 0.04 0.00 0.00 34.50 30.49 1uhf s PRO 61 CO 0.11 -0.88 2.47 1.17 0.04 0.00 0.00 177.00 179.91 1uhf n LYS 62 N 6.91 0.62 -2.28 4.56 4.81 -0.81 -4.83 118.16 127.14 1uhf n LYS 62 Ca 0.14 -0.14 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1uhf n LYS 62 Cb 0.45 -2.81 -0.03 0.00 0.02 0.00 0.00 35.03 32.67 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 10.27 5.96 -0.14 3.14 1.11 -1.26 -4.94 116.67 130.81 1uhf s ASP 63 Ca 1.10 0.46 -0.05 0.00 0.18 0.00 0.00 52.55 54.23 1uhf s ASP 63 Cb -0.49 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.02 1uhf s ASP 63 CO 0.31 -1.81 0.30 -0.55 1.18 0.00 0.00 175.17 174.60 1uhf s SER 64 N 5.25 0.17 0.00 0.27 0.15 -1.26 -5.09 113.70 113.19 1uhf s SER 64 Ca 0.59 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1uhf s SER 64 Cb -0.13 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1uhf s SER 64 CO 0.26 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1uhf n GLY 65 N 5.26 -1.57 3.40 9.45 0.00 -1.26 -5.07 105.19 115.40 1uhf n GLY 65 Ca -0.08 0.97 -0.38 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 2.34 -1.75 1.61 -0.04 -1.26 -4.64 135.00 131.25 1uhf n PRO 66 Ca 0.00 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 1uhf n PRO 66 Cb 0.00 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 29.99 1uhf n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uhf n SER 67 N 10.14 -8.07 -3.61 3.54 7.64 -1.26 -5.08 113.62 116.92 1uhf n SER 67 Ca 0.48 1.16 -0.01 0.00 1.01 0.00 0.00 58.87 61.51 1uhf n SER 67 Cb 0.45 -4.36 -0.06 0.00 -1.01 0.00 0.00 64.21 59.22 1uhf n SER 67 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uhf s SER 68 N -0.91 -0.46 0.00 6.43 0.01 -1.26 -5.28 113.70 112.22 1uhf s SER 68 Ca 0.00 0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1uhf s SER 68 Cb 0.00 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.48 1uhf s SER 68 CO 0.00 -0.11 0.12 0.61 0.41 0.00 0.00 173.24 174.27