#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 6.83 -0.26 1.61 0.01 -1.26 -4.99 113.70 115.65 1uhf s SER 2 Ca 0.00 2.30 -0.14 0.00 1.31 0.00 0.00 55.95 59.41 1uhf s SER 2 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1uhf s SER 2 CO 0.00 -0.66 0.35 -0.94 0.41 0.00 0.00 173.24 172.40 1uhf s SER 3 N 1.20 6.25 0.00 2.44 1.04 -1.26 -5.01 113.70 118.37 1uhf s SER 3 Ca 0.64 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1uhf s SER 3 Cb -0.36 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1uhf s SER 3 CO 0.30 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1uhf n GLY 4 N 4.57 2.16 3.74 7.32 0.00 -1.26 -5.16 105.19 116.57 1uhf n GLY 4 Ca -0.09 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 4.07 -0.23 1.61 0.01 -1.26 -5.05 113.70 112.84 1uhf s SER 5 Ca 0.00 1.83 -0.04 0.00 1.31 0.00 0.00 55.95 59.06 1uhf s SER 5 Cb 0.00 -2.48 0.12 0.00 0.21 0.00 0.00 66.02 63.87 1uhf s SER 5 CO 0.00 -2.31 0.40 -0.94 0.41 0.00 0.00 173.24 170.80 1uhf s SER 6 N -3.27 0.03 0.00 2.44 1.04 -1.26 -5.04 113.70 107.64 1uhf s SER 6 Ca 0.62 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1uhf s SER 6 Cb -0.18 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.17 1uhf s SER 6 CO 0.57 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1uhf n GLY 7 N 5.37 -1.55 2.99 7.32 0.00 -1.26 -5.18 105.19 112.88 1uhf n GLY 7 Ca -0.05 0.61 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 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 0.30 -0.22 -0.02 0.00 -1.26 -4.67 107.32 101.45 1uhf s GLY 8 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 44.72 44.10 1uhf s GLY 8 CO 0.00 -0.62 0.00 -0.54 0.00 0.00 0.00 173.10 171.95 1uhf s GLU 9 N -1.28 3.57 -0.26 2.90 0.41 0.22 -4.91 118.70 119.35 1uhf s GLU 9 Ca -0.12 -0.54 -0.29 0.00 -0.41 0.00 0.00 54.97 53.62 1uhf s GLU 9 Cb -0.09 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 1uhf s GLU 9 CO -0.00 -0.08 1.22 -1.21 -0.49 0.00 0.00 175.26 174.70 1uhf s GLU 10 N 1.24 4.07 0.04 1.61 8.01 -1.26 -0.61 118.70 131.80 1uhf s GLU 10 Ca 0.04 1.34 0.08 0.00 0.01 0.00 0.00 54.97 56.43 1uhf s GLU 10 Cb -0.15 -3.80 -0.02 0.00 -4.31 0.00 0.00 34.13 25.85 1uhf s GLU 10 CO 0.01 -0.91 -0.22 0.71 0.01 0.00 0.00 175.26 174.86 1uhf s TYR 11 N 3.88 1.89 -0.08 1.61 2.02 0.81 -0.64 117.35 126.84 1uhf s TYR 11 Ca 0.53 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1uhf s TYR 11 Cb -0.17 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1uhf s TYR 11 CO 0.18 0.09 0.09 0.42 -1.57 0.00 0.00 175.55 174.75 1uhf s ILE 12 N -0.78 5.02 -0.42 2.71 -1.09 0.37 0.53 121.20 127.54 1uhf s ILE 12 Ca 0.08 -0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.16 1uhf s ILE 12 Cb -0.09 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.60 1uhf s ILE 12 CO 0.02 0.55 1.35 0.00 -1.23 0.00 0.00 174.94 175.62 1uhf s ALA 13 N -1.04 3.08 0.14 9.38 0.00 -0.73 0.10 121.76 132.69 1uhf s ALA 13 Ca 0.17 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1uhf s ALA 13 Cb -0.12 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1uhf s ALA 13 CO 0.06 -2.35 1.66 -0.07 0.00 0.00 0.00 175.76 175.07 1uhf h LEU 14 N 11.94 0.61 -8.53 0.00 3.38 -1.85 0.11 115.31 120.97 1uhf h LEU 14 Ca -0.26 -0.20 -0.38 0.00 0.09 0.00 0.00 57.88 57.13 1uhf h LEU 14 Cb 1.09 -0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.50 1uhf h LEU 14 CO 1.09 0.65 -0.75 -0.31 0.09 0.00 0.00 178.44 179.21 1uhf s TYR 15 N -5.44 1.25 -0.33 1.13 2.02 -1.26 -4.74 117.35 109.99 1uhf s TYR 15 Ca -0.13 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.70 1uhf s TYR 15 Cb 0.10 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 41.00 1uhf s TYR 15 CO 0.77 0.08 1.37 -1.25 -1.57 0.00 0.00 175.55 174.95 1uhf s PRO 16 N -2.61 3.78 -0.27 -1.71 0.04 -1.26 -4.15 135.00 128.81 1uhf s PRO 16 Ca 0.06 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 1uhf s PRO 16 Cb -0.05 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.54 1uhf s PRO 16 CO 0.02 -1.30 0.06 -0.47 0.04 0.00 0.00 177.00 175.35 1uhf s TYR 17 N 4.84 3.10 0.12 0.56 5.04 -0.63 -4.88 117.35 125.49 1uhf s TYR 17 Ca 0.59 -0.85 0.11 0.00 -2.44 0.00 0.00 57.07 54.47 1uhf s TYR 17 Cb -0.16 -2.23 -0.04 0.00 0.35 0.00 0.00 41.96 39.88 1uhf s TYR 17 CO 0.27 -0.52 -0.26 -1.54 -1.34 0.00 0.00 175.55 172.15 1uhf s SER 18 N 1.52 3.24 -0.30 4.32 1.04 -1.26 -2.13 113.70 120.13 1uhf s SER 18 Ca 0.04 -0.72 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 1uhf s SER 18 Cb -0.16 -0.22 0.19 0.00 0.10 0.00 0.00 66.02 65.92 1uhf s SER 18 CO 0.02 0.18 1.17 -0.55 0.98 0.00 0.00 173.24 175.04 1uhf s SER 19 N -1.92 -0.24 -1.07 7.02 0.15 -1.26 -5.03 113.70 111.35 1uhf s SER 19 Ca 0.13 0.35 -0.07 0.00 0.70 0.00 0.00 55.95 57.06 1uhf s SER 19 Cb -0.10 1.21 -0.09 0.00 -1.71 0.00 0.00 66.02 65.32 1uhf s SER 19 CO 0.05 -0.05 2.62 1.33 1.20 0.00 0.00 173.24 178.39 1uhf n VAL 20 N 4.12 3.23 -4.12 4.45 0.24 -1.26 -4.82 118.33 120.17 1uhf n VAL 20 Ca -0.12 -1.89 -0.34 0.00 -2.04 0.00 0.00 64.34 59.96 1uhf n VAL 20 Cb 0.55 -2.30 -0.15 0.00 -1.47 0.00 0.00 33.84 30.48 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 2.55 3.25 -0.15 7.34 2.02 -1.26 -5.00 118.70 127.45 1uhf s GLU 21 Ca 0.55 -0.70 -0.05 0.00 0.02 0.00 0.00 54.97 54.78 1uhf s GLU 21 Cb 0.16 -2.80 -0.19 0.00 0.10 0.00 0.00 34.13 31.40 1uhf s GLU 21 CO -0.04 -0.14 2.80 -0.35 0.02 0.00 0.00 175.26 177.55 1uhf n PRO 22 N 4.55 1.65 0.00 0.39 -0.04 -1.26 -2.72 135.00 137.57 1uhf n PRO 22 Ca -0.19 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1uhf n PRO 22 Cb 0.51 -1.96 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 2.75 0.21 3.72 0.55 0.00 -1.26 -5.12 105.19 106.05 1uhf n GLY 23 Ca 0.35 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.00 7.45 -0.22 1.61 1.11 -1.10 -1.69 116.67 122.83 1uhf s ASP 24 Ca 0.00 1.77 -0.29 0.00 0.18 0.00 0.00 52.55 54.21 1uhf s ASP 24 Cb 0.00 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.39 1uhf s ASP 24 CO 0.00 -0.13 1.47 -0.22 1.18 0.00 0.00 175.17 177.47 1uhf s LEU 25 N 0.27 3.98 -0.20 1.23 2.96 0.17 -4.68 118.68 122.41 1uhf s LEU 25 Ca 0.49 1.56 -0.17 0.00 -0.22 0.00 0.00 54.13 55.78 1uhf s LEU 25 Cb -0.23 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1uhf s LEU 25 CO 0.30 -1.09 0.47 0.42 -1.32 0.00 0.00 176.35 175.12 1uhf s THR 26 N 4.56 5.15 0.29 3.68 -4.23 -1.26 -4.79 115.64 119.04 1uhf s THR 26 Ca 0.64 0.85 -0.09 0.00 -1.18 0.00 0.00 61.69 61.91 1uhf s THR 26 Cb -0.23 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.82 1uhf s THR 26 CO 0.25 0.21 0.49 0.72 -0.54 0.00 0.00 174.62 175.75 1uhf s PHE 27 N 1.46 0.59 0.44 3.99 -0.12 -0.91 -5.05 117.98 118.39 1uhf s PHE 27 Ca 0.22 -0.93 0.03 0.00 -0.05 0.00 0.00 56.93 56.20 1uhf s PHE 27 Cb -0.15 0.13 0.03 0.00 -0.63 0.00 0.00 43.02 42.40 1uhf s PHE 27 CO 0.09 -1.07 0.27 0.25 -0.05 0.00 0.00 175.22 174.71 1uhf n THR 28 N -0.44 0.00 -2.78 -4.49 -2.24 -1.26 -1.61 114.28 101.46 1uhf n THR 28 Ca -0.01 -1.83 -0.42 0.00 -2.27 0.00 0.00 64.05 59.52 1uhf n THR 28 Cb 0.62 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1uhf n THR 28 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1uhf s GLU 29 N -3.78 4.44 0.00 -0.78 -6.30 -1.26 -3.28 118.70 107.74 1uhf s GLU 29 Ca 0.20 1.27 0.00 0.00 -2.50 0.00 0.00 54.97 53.94 1uhf s GLU 29 Cb -0.02 -3.51 0.00 0.00 0.00 0.00 0.00 34.13 30.60 1uhf s GLU 29 CO 0.13 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1uhf n GLY 30 N 3.11 2.81 3.62 -1.50 0.00 0.37 -4.92 105.19 108.69 1uhf n GLY 30 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.99 -0.30 -3.60 1.61 -0.58 -1.20 -4.61 120.64 110.97 1uhf n GLU 31 Ca 0.00 -0.02 -0.40 0.00 -0.42 0.00 0.00 57.16 56.32 1uhf n GLU 31 Cb 0.00 -2.29 -0.09 0.00 -0.57 0.00 0.00 31.44 28.49 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 -4.32 2.47 -0.23 3.49 2.02 -1.26 -1.77 118.70 119.10 1uhf s GLU 32 Ca 0.66 -1.66 -0.15 0.00 0.02 0.00 0.00 54.97 53.85 1uhf s GLU 32 Cb -0.24 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 1uhf s GLU 32 CO 0.58 -1.09 0.35 0.42 0.02 0.00 0.00 175.26 175.54 1uhf s ILE 33 N 1.36 5.22 -0.55 -1.63 1.01 0.19 -4.70 121.20 122.10 1uhf s ILE 33 Ca 0.05 0.58 -0.19 0.00 0.00 0.00 0.00 60.65 61.09 1uhf s ILE 33 Cb -0.25 -3.68 0.09 0.00 0.01 0.00 0.00 42.46 38.63 1uhf s ILE 33 CO -0.00 0.24 0.64 -0.22 0.00 0.00 0.00 174.94 175.60 1uhf s LEU 34 N 1.47 5.29 0.07 2.97 2.96 0.26 -0.13 118.68 131.57 1uhf s LEU 34 Ca 0.16 -1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 52.54 1uhf s LEU 34 Cb -0.15 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 1uhf s LEU 34 CO 0.08 -0.98 0.91 -0.69 -1.32 0.00 0.00 176.35 174.34 1uhf s VAL 35 N 2.53 4.63 0.00 1.68 1.01 0.22 -1.65 120.40 128.83 1uhf s VAL 35 Ca 0.12 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1uhf s VAL 35 Cb -0.23 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1uhf s VAL 35 CO 0.08 0.30 0.00 0.35 0.00 0.00 0.00 175.10 175.83 1uhf n THR 36 N 3.01 0.00 -4.51 3.92 -2.24 -1.05 0.72 114.28 114.13 1uhf n THR 36 Ca 0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 1uhf n THR 36 Cb 0.50 -0.43 -0.16 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.86 3.08 -0.34 -0.78 0.74 -1.23 -4.90 119.66 114.37 1uhf s GLN 37 Ca 0.00 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.61 1uhf s GLN 37 Cb 0.00 -2.53 0.09 0.00 1.10 0.00 0.00 33.01 31.67 1uhf s GLN 37 CO 0.00 -0.05 0.07 0.15 -0.55 0.00 0.00 175.29 174.91 1uhf s LYS 38 N 0.92 1.88 -0.39 1.67 1.02 -1.26 0.15 119.74 123.73 1uhf s LYS 38 Ca -0.04 -1.70 -0.05 0.00 0.02 0.00 0.00 55.97 54.20 1uhf s LYS 38 Cb -0.15 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 33.97 1uhf s LYS 38 CO -0.03 -0.88 0.19 -0.51 -0.92 0.00 0.00 175.35 173.19 1uhf s ASP 39 N 1.25 5.34 0.88 2.83 1.11 -1.15 -4.98 116.67 121.96 1uhf s ASP 39 Ca 0.05 -1.66 0.00 0.00 0.18 0.00 0.00 52.55 51.12 1uhf s ASP 39 Cb -0.20 -1.87 0.00 0.00 1.07 0.00 0.00 42.92 41.92 1uhf s ASP 39 CO -0.05 -0.48 0.00 0.61 1.18 0.00 0.00 175.17 176.42 1uhf n GLY 40 N 4.73 1.67 0.14 0.21 0.00 -1.26 -3.37 105.19 107.32 1uhf n GLY 40 Ca -0.08 -0.57 -0.23 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 0.47 -5.92 1.61 4.81 -1.99 -3.44 114.58 110.12 1uhf h GLU 41 Ca 0.00 -0.76 -0.57 0.00 -0.13 0.00 0.00 59.36 57.90 1uhf h GLU 41 Cb 0.00 0.28 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1uhf h GLU 41 CO 0.00 1.36 0.14 -1.58 -0.73 0.00 0.00 179.01 178.20 1uhf s TRP 42 N -2.62 3.50 0.29 0.92 0.52 -1.22 -3.61 118.94 116.73 1uhf s TRP 42 Ca -0.11 1.17 0.09 0.00 0.02 0.00 0.00 56.10 57.27 1uhf s TRP 42 Cb 0.03 -2.83 -0.05 0.00 -1.15 0.00 0.00 33.47 29.47 1uhf s TRP 42 CO 0.90 -0.03 0.01 -1.58 0.02 0.00 0.00 176.95 176.27 1uhf s TRP 43 N 1.29 2.63 -0.34 -1.98 0.51 -1.21 -2.91 118.94 116.93 1uhf s TRP 43 Ca 0.35 -0.30 -0.17 0.00 -2.12 0.00 0.00 56.10 53.86 1uhf s TRP 43 Cb -0.17 -1.31 -0.01 0.00 -0.81 0.00 0.00 33.47 31.17 1uhf s TRP 43 CO 0.15 0.55 0.44 0.99 -0.51 0.00 0.00 176.95 178.58 1uhf s THR 44 N -2.40 5.09 0.41 2.01 2.01 0.40 -2.98 115.64 120.19 1uhf s THR 44 Ca 0.33 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.66 1uhf s THR 44 Cb -0.04 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1uhf s THR 44 CO 0.20 -0.13 0.42 -0.83 -0.69 0.00 0.00 174.62 173.59 1uhf s GLY 45 N 1.73 2.05 0.03 4.40 0.00 -0.98 -2.53 107.32 112.02 1uhf s GLY 45 Ca 0.16 -1.80 -0.06 0.00 0.00 0.00 0.00 44.72 43.01 1uhf s GLY 45 CO 0.12 -1.63 0.12 -0.56 0.00 0.00 0.00 173.10 171.15 1uhf s SER 46 N -4.18 0.12 -0.17 1.64 0.01 -0.66 -3.00 113.70 107.47 1uhf s SER 46 Ca 0.49 -0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1uhf s SER 46 Cb -0.05 0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.46 1uhf s SER 46 CO 0.29 -0.48 0.07 -0.63 0.41 0.00 0.00 173.24 172.90 1uhf s ILE 47 N -2.32 0.09 0.00 1.44 1.01 -1.20 -0.57 121.20 119.64 1uhf s ILE 47 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1uhf s ILE 47 Cb -0.03 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1uhf s ILE 47 CO -0.03 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.29 1uhf n GLY 48 N 5.21 0.54 0.90 6.18 0.00 -1.26 -1.10 105.19 115.67 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 1.49 -0.81 -4.85 1.61 8.00 -1.26 -5.14 116.55 115.60 1uhf n ASP 49 Ca 0.00 -1.66 -0.21 0.00 0.71 0.00 0.00 54.79 53.63 1uhf n ASP 49 Cb 0.00 0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 2.60 -0.07 -1.24 0.52 -0.26 -5.14 118.95 115.37 1uhf s ARG 50 Ca 0.00 -1.43 -0.10 0.00 -0.52 0.00 0.00 55.73 53.68 1uhf s ARG 50 Cb 0.00 -2.39 0.02 0.00 0.52 0.00 0.00 34.95 33.10 1uhf s ARG 50 CO 0.00 -0.02 0.24 -1.12 0.02 0.00 0.00 175.30 174.42 1uhf s SER 51 N -4.03 -0.20 0.00 0.23 0.01 -1.26 -3.26 113.70 105.19 1uhf s SER 51 Ca 0.43 0.32 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1uhf s SER 51 Cb -0.04 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1uhf s SER 51 CO 0.27 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1uhf n GLY 52 N 2.41 -0.93 3.87 3.44 0.00 -1.16 -4.70 105.19 108.11 1uhf n GLY 52 Ca -0.16 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 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 4.81 0.16 -0.61 -4.36 -0.68 -2.32 121.20 116.20 1uhf s ILE 53 Ca 0.00 -1.02 -0.23 0.00 -0.26 0.00 0.00 60.65 59.14 1uhf s ILE 53 Cb 0.00 -3.51 0.06 0.00 1.25 0.00 0.00 42.46 40.26 1uhf s ILE 53 CO 0.00 -0.17 0.68 0.72 0.24 0.00 0.00 174.94 176.41 1uhf s PHE 54 N -1.85 -0.42 -0.33 1.37 -0.12 -1.16 0.44 117.98 115.91 1uhf s PHE 54 Ca 0.33 0.16 -0.29 0.00 -0.05 0.00 0.00 56.93 57.08 1uhf s PHE 54 Cb -0.10 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1uhf s PHE 54 CO 0.26 -0.89 1.37 -1.25 -0.05 0.00 0.00 175.22 174.66 1uhf s PRO 55 N -3.68 3.78 0.39 1.99 0.04 -1.26 -3.29 135.00 132.98 1uhf s PRO 55 Ca 0.04 1.17 0.27 0.00 0.04 0.00 0.00 61.00 62.52 1uhf s PRO 55 Cb -0.02 -3.95 1.43 0.00 0.04 0.00 0.00 34.50 32.01 1uhf s PRO 55 CO -0.08 -1.30 1.82 0.66 0.04 0.00 0.00 177.00 178.15 1uhf h SER 56 N 9.93 0.00 0.09 6.66 4.64 -1.89 0.55 113.55 133.53 1uhf h SER 56 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1uhf h SER 56 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1uhf h SER 56 CO 1.05 0.00 -0.02 -3.20 -0.87 0.00 0.00 176.83 173.79 1uhf n ASN 57 N -2.44 0.47 -0.98 4.97 5.15 -1.26 -3.29 115.26 117.88 1uhf n ASN 57 Ca -0.02 -1.01 -0.02 0.00 -0.60 0.00 0.00 54.58 52.94 1uhf n ASN 57 Cb 0.06 -0.03 0.17 0.00 -0.53 0.00 0.00 39.78 39.45 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 -0.70 0.73 -3.81 1.20 4.02 0.19 -4.99 117.16 113.81 1uhf n TYR 58 Ca 0.20 -1.67 -0.12 0.00 -0.01 0.00 0.00 57.90 56.30 1uhf n TYR 58 Cb 0.21 -0.33 -0.12 0.00 -0.02 0.00 0.00 39.34 39.08 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 -3.51 0.01 0.18 -0.72 -7.23 -1.21 -2.87 120.40 105.06 1uhf s VAL 59 Ca 0.42 -0.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.64 1uhf s VAL 59 Cb 0.39 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.98 1uhf s VAL 59 CO -0.04 -0.03 -0.16 -1.59 -0.31 0.00 0.00 175.10 172.98 1uhf s LYS 60 N -0.00 1.83 -0.19 4.82 -2.85 0.29 -4.87 119.74 118.78 1uhf s LYS 60 Ca -0.01 -1.36 -0.29 0.00 -1.00 0.00 0.00 55.97 53.31 1uhf s LYS 60 Cb -0.02 -2.04 -0.01 0.00 -2.06 0.00 0.00 37.83 33.70 1uhf s LYS 60 CO 0.00 0.42 1.29 -1.25 0.10 0.00 0.00 175.35 175.92 1uhf s PRO 61 N -2.72 4.16 -0.53 1.78 0.04 -1.26 0.14 135.00 136.61 1uhf s PRO 61 Ca 0.23 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 1uhf s PRO 61 Cb -0.09 -3.80 -0.08 0.00 0.04 0.00 0.00 34.50 30.57 1uhf s PRO 61 CO 0.13 -0.80 2.44 1.17 0.04 0.00 0.00 177.00 179.98 1uhf n LYS 62 N 6.78 0.96 -1.54 4.56 4.81 0.19 -4.84 118.16 129.07 1uhf n LYS 62 Ca 0.14 -0.01 -0.33 0.00 -0.87 0.00 0.00 58.31 57.25 1uhf n LYS 62 Cb 0.45 -3.29 0.07 0.00 0.02 0.00 0.00 35.03 32.28 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 12.00 4.74 0.05 3.14 1.01 -1.26 -4.96 116.67 131.39 1uhf s ASP 63 Ca 1.01 2.01 0.03 0.00 0.71 0.00 0.00 52.55 56.31 1uhf s ASP 63 Cb -0.26 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.09 1uhf s ASP 63 CO 0.28 -1.88 -0.09 -0.55 0.21 0.00 0.00 175.17 173.13 1uhf s SER 64 N -2.71 1.08 0.00 0.27 0.15 -1.26 -5.16 113.70 106.07 1uhf s SER 64 Ca 0.66 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1uhf s SER 64 Cb -0.21 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1uhf s SER 64 CO 0.46 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1uhf n GLY 65 N 1.33 2.93 3.55 9.45 0.00 -1.26 -5.00 105.19 116.19 1uhf n GLY 65 Ca -0.22 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 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 4.11 2.94 0.42 1.61 0.04 -1.26 -4.96 135.00 137.90 1uhf s PRO 66 Ca 0.00 0.02 -0.26 0.00 0.04 0.00 0.00 61.00 60.80 1uhf s PRO 66 Cb 0.00 -4.45 -0.10 0.00 0.04 0.00 0.00 34.50 29.99 1uhf s PRO 66 CO 0.00 -2.50 1.34 0.45 0.04 0.00 0.00 177.00 176.33 1uhf n SER 67 N 11.10 2.94 0.00 6.66 2.88 -1.26 -4.96 113.62 130.98 1uhf n SER 67 Ca 0.16 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1uhf n SER 67 Cb 0.50 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 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 0.18 0.00 0.00 -3.46 2.88 -1.26 -5.32 113.62 106.64 1uhf n SER 68 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1uhf n SER 68 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42