#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 6.61 -0.07 1.61 0.01 -1.26 -4.71 113.70 115.89 1uhf s SER 2 Ca 0.00 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.93 1uhf s SER 2 Cb 0.00 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.97 1uhf s SER 2 CO 0.00 -0.06 0.11 -1.20 0.41 0.00 0.00 173.24 172.49 1uhf n SER 3 N 4.12 -4.70 0.00 2.44 7.64 -1.26 -5.04 113.62 116.82 1uhf n SER 3 Ca -0.07 1.50 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1uhf n SER 3 Cb 0.51 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 1uhf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhf n GLY 4 N 1.89 1.10 2.81 0.23 0.00 -1.26 -5.05 105.19 104.90 1uhf n GLY 4 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1uhf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhf s SER 5 N -1.00 1.04 -0.23 1.61 1.04 -1.26 -5.12 113.70 109.79 1uhf s SER 5 Ca 0.00 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1uhf s SER 5 Cb 0.00 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1uhf s SER 5 CO 0.00 -0.28 -0.03 -0.94 0.98 0.00 0.00 173.24 172.96 1uhf s SER 6 N 2.31 3.73 0.00 7.02 1.04 -1.26 -5.04 113.70 121.50 1uhf s SER 6 Ca 0.04 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1uhf s SER 6 Cb -0.14 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1uhf s SER 6 CO -0.09 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1uhf n GLY 7 N 4.73 3.65 3.12 7.32 0.00 -1.26 -5.17 105.19 117.58 1uhf n GLY 7 Ca -0.11 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 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 0.72 -0.16 -0.02 0.00 -1.26 -4.48 107.32 102.11 1uhf s GLY 8 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1uhf s GLY 8 CO 0.00 -0.82 -0.20 -0.54 0.00 0.00 0.00 173.10 171.53 1uhf s GLU 9 N -1.32 2.95 0.27 2.90 2.02 0.47 -4.94 118.70 121.05 1uhf s GLU 9 Ca -0.02 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 1uhf s GLU 9 Cb -0.08 -2.49 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 1uhf s GLU 9 CO 0.01 -0.15 1.09 -1.21 0.02 0.00 0.00 175.26 175.02 1uhf s GLU 10 N 1.15 4.65 0.01 1.61 2.02 -1.26 -1.34 118.70 125.53 1uhf s GLU 10 Ca 0.01 1.77 -0.01 0.00 0.02 0.00 0.00 54.97 56.76 1uhf s GLU 10 Cb -0.14 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 1uhf s GLU 10 CO -0.09 0.22 0.01 0.71 0.02 0.00 0.00 175.26 176.13 1uhf s TYR 11 N -1.06 0.14 -0.28 1.61 1.51 -0.74 -1.61 117.35 116.91 1uhf s TYR 11 Ca 0.45 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 56.13 1uhf s TYR 11 Cb -0.31 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 1uhf s TYR 11 CO 0.40 -0.15 0.14 0.42 -1.11 0.00 0.00 175.55 175.25 1uhf s ILE 12 N -1.01 4.82 -0.07 2.71 -1.09 0.16 -1.81 121.20 124.91 1uhf s ILE 12 Ca -0.11 -0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 57.93 1uhf s ILE 12 Cb -0.07 -3.33 -0.07 0.00 -1.58 0.00 0.00 42.46 37.42 1uhf s ILE 12 CO -0.00 0.23 1.98 0.00 -1.23 0.00 0.00 174.94 175.92 1uhf s ALA 13 N 1.68 3.29 -0.04 9.38 0.00 -0.27 -1.33 121.76 134.47 1uhf s ALA 13 Ca 0.06 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1uhf s ALA 13 Cb -0.16 -3.91 -0.13 0.00 0.00 0.00 0.00 23.12 18.92 1uhf s ALA 13 CO 0.07 -1.97 0.83 -0.07 0.00 0.00 0.00 175.76 174.62 1uhf h LEU 14 N 12.06 -0.31 -9.15 0.00 3.38 -1.21 1.08 115.31 121.16 1uhf h LEU 14 Ca -0.45 -0.20 -0.64 0.00 0.09 0.00 0.00 57.88 56.69 1uhf h LEU 14 Cb 1.22 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.89 1uhf h LEU 14 CO 0.95 0.18 -0.78 -0.31 0.09 0.00 0.00 178.44 178.57 1uhf s TYR 15 N -3.54 2.38 -0.39 1.13 2.02 -1.24 -4.48 117.35 113.24 1uhf s TYR 15 Ca -0.11 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 1uhf s TYR 15 Cb 0.01 -1.15 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 1uhf s TYR 15 CO 0.40 0.55 1.40 -1.25 -1.57 0.00 0.00 175.55 175.08 1uhf s PRO 16 N -2.90 3.63 -0.32 -1.71 0.04 -1.26 -4.05 135.00 128.44 1uhf s PRO 16 Ca 0.24 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 1uhf s PRO 16 Cb -0.07 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 1uhf s PRO 16 CO 0.12 -1.49 0.18 -0.47 0.04 0.00 0.00 177.00 175.38 1uhf s TYR 17 N 5.27 3.19 0.11 0.56 5.04 -0.84 -4.86 117.35 125.83 1uhf s TYR 17 Ca 0.61 -0.41 0.10 0.00 -2.44 0.00 0.00 57.07 54.93 1uhf s TYR 17 Cb -0.14 -2.39 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 1uhf s TYR 17 CO 0.31 -0.41 -0.26 -1.54 -1.34 0.00 0.00 175.55 172.32 1uhf s SER 18 N 1.66 3.13 -0.30 4.32 1.04 -1.26 -1.88 113.70 120.41 1uhf s SER 18 Ca 0.05 -0.71 -0.19 0.00 0.48 0.00 0.00 55.95 55.59 1uhf s SER 18 Cb -0.17 -0.21 0.19 0.00 0.10 0.00 0.00 66.02 65.93 1uhf s SER 18 CO 0.08 0.17 1.25 -0.55 0.98 0.00 0.00 173.24 175.17 1uhf s SER 19 N -1.89 -0.13 -0.97 7.02 0.15 -1.26 -5.03 113.70 111.59 1uhf s SER 19 Ca 0.12 0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.87 1uhf s SER 19 Cb -0.10 1.14 -0.12 0.00 -1.71 0.00 0.00 66.02 65.22 1uhf s SER 19 CO 0.05 -0.02 2.84 1.33 1.20 0.00 0.00 173.24 178.63 1uhf n VAL 20 N 4.45 3.37 -4.37 4.45 0.24 -1.26 -4.80 118.33 120.41 1uhf n VAL 20 Ca -0.08 -1.93 -0.33 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 30.47 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 2.18 3.21 -0.13 7.34 0.41 -1.26 -5.00 118.70 125.45 1uhf s GLU 21 Ca 0.59 -0.74 -0.05 0.00 -0.41 0.00 0.00 54.97 54.36 1uhf s GLU 21 Cb 0.19 -2.68 -0.19 0.00 -1.78 0.00 0.00 34.13 29.67 1uhf s GLU 21 CO -0.04 -0.05 2.81 -0.35 -0.49 0.00 0.00 175.26 177.15 1uhf n PRO 22 N 4.25 1.63 0.00 0.39 -0.04 -1.26 -2.75 135.00 137.21 1uhf n PRO 22 Ca -0.19 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1uhf n PRO 22 Cb 0.51 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.17 3.72 0.55 0.00 -1.26 -5.11 105.19 106.00 1uhf n GLY 23 Ca 0.35 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.14 7.06 0.05 1.61 1.11 -1.11 -0.79 116.67 123.45 1uhf s ASP 24 Ca 0.00 1.27 -0.31 0.00 0.18 0.00 0.00 52.55 53.70 1uhf s ASP 24 Cb 0.00 -2.43 -0.07 0.00 1.07 0.00 0.00 42.92 41.48 1uhf s ASP 24 CO 0.00 -0.10 1.54 -0.22 1.18 0.00 0.00 175.17 177.58 1uhf s LEU 25 N 0.63 4.35 -0.18 1.23 2.96 0.20 -4.70 118.68 123.16 1uhf s LEU 25 Ca 0.39 2.34 -0.17 0.00 -0.22 0.00 0.00 54.13 56.47 1uhf s LEU 25 Cb -0.18 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1uhf s LEU 25 CO 0.20 -0.81 0.45 0.42 -1.32 0.00 0.00 176.35 175.29 1uhf s THR 26 N 2.43 5.17 0.36 3.68 -4.23 -1.26 -4.82 115.64 116.97 1uhf s THR 26 Ca 0.69 0.83 -0.07 0.00 -1.18 0.00 0.00 61.69 61.97 1uhf s THR 26 Cb -0.37 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.72 1uhf s THR 26 CO 0.30 0.25 0.58 0.72 -0.54 0.00 0.00 174.62 175.93 1uhf s PHE 27 N 1.26 0.76 0.00 3.99 -0.71 -0.79 -5.06 117.98 117.42 1uhf s PHE 27 Ca 0.22 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 54.98 1uhf s PHE 27 Cb -0.15 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.89 1uhf s PHE 27 CO 0.09 -1.29 0.00 0.25 -1.34 0.00 0.00 175.22 172.93 1uhf n THR 28 N -0.56 0.00 -3.10 -4.49 -2.24 -1.26 -1.98 114.28 100.65 1uhf n THR 28 Ca -0.02 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1uhf n THR 28 Cb 0.61 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.73 4.40 0.00 -0.78 -6.30 -1.26 -3.71 118.70 109.32 1uhf s GLU 29 Ca 0.00 0.89 0.00 0.00 -2.50 0.00 0.00 54.97 53.36 1uhf s GLU 29 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.77 1uhf s GLU 29 CO 0.00 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.01 1uhf n GLY 30 N 2.45 2.95 3.54 -1.50 0.00 0.37 -4.91 105.19 108.09 1uhf n GLY 30 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.27 0.74 -3.42 1.61 1.02 -1.24 -4.37 120.64 114.71 1uhf n GLU 31 Ca 0.00 0.29 -0.44 0.00 -0.02 0.00 0.00 57.16 56.99 1uhf n GLU 31 Cb 0.00 -1.90 -0.08 0.00 -0.02 0.00 0.00 31.44 29.44 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 -2.31 2.92 -0.12 3.49 2.02 -1.26 -1.11 118.70 122.32 1uhf s GLU 32 Ca 0.71 -1.39 -0.15 0.00 0.02 0.00 0.00 54.97 54.16 1uhf s GLU 32 Cb -0.45 -4.08 -0.05 0.00 0.10 0.00 0.00 34.13 29.65 1uhf s GLU 32 CO 0.52 -1.03 0.35 0.42 0.02 0.00 0.00 175.26 175.54 1uhf s ILE 33 N 1.60 5.23 -0.52 -1.63 1.01 -0.75 -4.87 121.20 121.27 1uhf s ILE 33 Ca 0.04 0.68 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 1uhf s ILE 33 Cb -0.24 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.65 1uhf s ILE 33 CO 0.06 0.42 0.51 -0.22 0.00 0.00 0.00 174.94 175.71 1uhf s LEU 34 N 0.12 5.79 -0.04 2.97 2.96 -0.06 -1.79 118.68 128.63 1uhf s LEU 34 Ca 0.20 -1.52 -0.25 0.00 -0.22 0.00 0.00 54.13 52.34 1uhf s LEU 34 Cb -0.14 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1uhf s LEU 34 CO 0.07 -0.84 0.76 -0.69 -1.32 0.00 0.00 176.35 174.33 1uhf s VAL 35 N 1.87 4.96 -0.01 1.68 1.01 -0.45 -0.30 120.40 129.17 1uhf s VAL 35 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1uhf s VAL 35 Cb -0.26 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 1uhf s VAL 35 CO 0.05 0.26 -0.01 0.35 0.00 0.00 0.00 175.10 175.75 1uhf n THR 36 N 3.63 0.06 -5.12 3.92 -2.24 -1.02 0.18 114.28 113.70 1uhf n THR 36 Ca -0.00 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 1uhf n THR 36 Cb 0.51 -0.61 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.02 3.05 -0.36 -0.78 -0.44 -1.22 -4.75 119.66 113.15 1uhf s GLN 37 Ca -0.01 -0.83 0.00 0.00 -2.50 0.00 0.00 55.36 52.02 1uhf s GLN 37 Cb 0.00 -2.36 0.09 0.00 -1.64 0.00 0.00 33.01 29.10 1uhf s GLN 37 CO 0.03 0.22 0.09 0.15 0.50 0.00 0.00 175.29 176.28 1uhf s LYS 38 N 0.26 1.90 -0.47 1.67 1.02 -1.26 0.18 119.74 123.02 1uhf s LYS 38 Ca -0.15 -1.72 -0.14 0.00 0.02 0.00 0.00 55.97 53.99 1uhf s LYS 38 Cb -0.17 -3.33 0.09 0.00 -0.52 0.00 0.00 37.83 33.90 1uhf s LYS 38 CO 0.07 -0.91 0.38 0.34 -0.92 0.00 0.00 175.35 174.31 1uhf s ASP 39 N 1.34 6.02 1.90 2.83 -1.08 -1.08 -4.95 116.67 121.65 1uhf s ASP 39 Ca 0.06 -1.49 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 1uhf s ASP 39 Cb -0.21 -2.14 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1uhf s ASP 39 CO -0.05 -0.67 0.00 0.61 0.52 0.00 0.00 175.17 175.58 1uhf n GLY 40 N 5.13 4.07 0.12 2.66 0.00 -1.26 -1.91 105.19 114.00 1uhf n GLY 40 Ca -0.12 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1uhf n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uhf n GLU 41 N 12.91 0.70 -3.01 1.61 2.13 -1.26 -4.77 120.64 128.95 1uhf n GLU 41 Ca 0.00 0.25 -0.43 0.00 0.66 0.00 0.00 57.16 57.64 1uhf n GLU 41 Cb 0.00 -1.71 -0.06 0.00 0.27 0.00 0.00 31.44 29.94 1uhf n GLU 41 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1uhf s TRP 42 N -2.56 3.04 0.34 4.31 0.52 -0.80 -3.61 118.94 120.18 1uhf s TRP 42 Ca -0.17 0.19 0.02 0.00 0.02 0.00 0.00 56.10 56.16 1uhf s TRP 42 Cb 0.07 -3.50 -0.02 0.00 -1.15 0.00 0.00 33.47 28.87 1uhf s TRP 42 CO 0.78 -0.88 0.52 -1.58 0.02 0.00 0.00 176.95 175.81 1uhf s TRP 43 N 3.09 3.40 -0.34 -1.98 0.51 -1.18 -2.64 118.94 119.81 1uhf s TRP 43 Ca 0.28 0.20 -0.13 0.00 -2.12 0.00 0.00 56.10 54.32 1uhf s TRP 43 Cb -0.13 -1.91 -0.02 0.00 -0.81 0.00 0.00 33.47 30.60 1uhf s TRP 43 CO 0.20 0.09 0.26 0.99 -0.51 0.00 0.00 176.95 177.98 1uhf s THR 44 N -2.27 5.27 0.43 2.01 2.01 0.47 -2.18 115.64 121.38 1uhf s THR 44 Ca 0.41 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1uhf s THR 44 Cb -0.10 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1uhf s THR 44 CO 0.34 -0.00 0.59 -0.83 -0.69 0.00 0.00 174.62 174.04 1uhf s GLY 45 N 1.73 1.85 -0.03 4.40 0.00 -0.85 -2.42 107.32 112.00 1uhf s GLY 45 Ca 0.07 -1.54 -0.05 0.00 0.00 0.00 0.00 44.72 43.19 1uhf s GLY 45 CO 0.11 -1.36 0.13 -0.45 0.00 0.00 0.00 173.10 171.52 1uhf s SER 46 N -4.33 -0.07 -0.17 1.64 0.15 0.59 -3.07 113.70 108.45 1uhf s SER 46 Ca 0.53 0.07 -0.04 0.00 0.70 0.00 0.00 55.95 57.21 1uhf s SER 46 Cb -0.10 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.52 1uhf s SER 46 CO 0.34 -0.17 0.07 -0.63 1.20 0.00 0.00 173.24 174.05 1uhf s ILE 47 N -0.50 0.09 0.00 6.45 1.01 -0.99 -0.88 121.20 126.38 1uhf s ILE 47 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1uhf s ILE 47 Cb -0.04 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1uhf s ILE 47 CO 0.01 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.32 1uhf n GLY 48 N 5.21 0.31 0.89 6.18 0.00 -1.26 -0.70 105.19 115.82 1uhf n GLY 48 Ca -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.54 -4.70 1.61 2.03 -1.26 -5.13 116.55 109.74 1uhf n ASP 49 Ca 0.00 -1.74 -0.24 0.00 0.52 0.00 0.00 54.79 53.33 1uhf n ASP 49 Cb 0.00 0.15 -0.07 0.00 -0.72 0.00 0.00 41.12 40.49 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 2.51 0.05 -0.67 0.52 0.12 -5.14 118.95 116.34 1uhf s ARG 50 Ca 0.03 -1.20 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 1uhf s ARG 50 Cb 0.03 -2.34 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 1uhf s ARG 50 CO -0.01 0.41 0.15 -1.54 0.02 0.00 0.00 175.30 174.33 1uhf s SER 51 N -3.44 0.11 0.00 0.23 1.04 -1.26 -2.35 113.70 108.02 1uhf s SER 51 Ca 0.30 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1uhf s SER 51 Cb -0.08 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1uhf s SER 51 CO 0.21 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1uhf n GLY 52 N 0.58 -1.87 3.92 7.32 0.00 -1.17 -4.62 105.19 109.34 1uhf n GLY 52 Ca -0.18 -1.18 -0.23 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 -2.53 5.01 0.16 -0.61 -4.36 0.03 -2.00 121.20 116.90 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 -3.68 0.07 0.00 1.25 0.00 0.00 42.46 40.09 1uhf s ILE 53 CO 0.00 -0.27 0.68 0.72 0.24 0.00 0.00 174.94 176.31 1uhf s PHE 54 N -1.95 -0.43 -0.17 1.37 -0.12 -0.93 0.58 117.98 116.33 1uhf s PHE 54 Ca 0.34 0.18 -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 42.87 1uhf s PHE 54 CO 0.27 -0.88 1.28 -1.25 -0.05 0.00 0.00 175.22 174.60 1uhf s PRO 55 N -3.68 4.21 0.00 1.99 0.04 -1.26 -3.08 135.00 133.22 1uhf s PRO 55 Ca 0.04 1.65 0.22 0.00 0.04 0.00 0.00 61.00 62.95 1uhf s PRO 55 Cb -0.02 -3.78 1.21 0.00 0.04 0.00 0.00 34.50 31.95 1uhf s PRO 55 CO -0.08 -0.74 1.70 -1.13 0.04 0.00 0.00 177.00 176.79 1uhf n SER 56 N 6.71 0.00 -0.75 6.66 3.41 -1.24 -1.64 113.62 126.77 1uhf n SER 56 Ca 0.14 -0.35 0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1uhf n SER 56 Cb 0.45 -0.15 0.13 0.00 -0.26 0.00 0.00 64.21 64.38 1uhf n SER 56 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1uhf n ASN 57 N -1.15 2.48 -0.48 4.04 6.94 -1.26 -3.94 115.26 121.89 1uhf n ASN 57 Ca 0.13 -1.76 0.05 0.00 -0.02 0.00 0.00 54.58 52.98 1uhf n ASN 57 Cb 0.13 0.14 0.08 0.00 -2.36 0.00 0.00 39.78 37.76 1uhf n ASN 57 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1uhf n TYR 58 N 0.75 0.16 -4.49 -2.53 4.02 -0.65 -4.97 117.16 109.45 1uhf n TYR 58 Ca 0.13 -0.19 -0.21 0.00 -0.01 0.00 0.00 57.90 57.62 1uhf n TYR 58 Cb 0.53 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.69 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 -0.91 1.12 0.20 -0.72 -7.23 -1.23 -0.69 120.40 110.94 1uhf s VAL 59 Ca 0.16 -0.81 0.09 0.00 -1.81 0.00 0.00 61.98 59.60 1uhf s VAL 59 Cb 0.10 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 1uhf s VAL 59 CO 0.13 0.15 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.44 1uhf s LYS 60 N -0.76 2.21 -0.27 4.82 -2.85 -0.44 -4.90 119.74 117.55 1uhf s LYS 60 Ca 0.04 -1.26 -0.29 0.00 -1.00 0.00 0.00 55.97 53.45 1uhf s LYS 60 Cb -0.07 -2.21 -0.00 0.00 -2.06 0.00 0.00 37.83 33.49 1uhf s LYS 60 CO 0.00 0.42 1.33 -1.25 0.10 0.00 0.00 175.35 175.96 1uhf s PRO 61 N -3.07 3.96 -0.67 1.78 0.04 -1.26 0.39 135.00 136.17 1uhf s PRO 61 Ca 0.27 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 1uhf s PRO 61 Cb -0.08 -3.88 -0.12 0.00 0.04 0.00 0.00 34.50 30.45 1uhf s PRO 61 CO 0.17 -1.07 2.48 1.17 0.04 0.00 0.00 177.00 179.80 1uhf n LYS 62 N 7.23 0.69 -4.73 4.56 4.81 -0.64 -4.84 118.16 125.25 1uhf n LYS 62 Ca 0.15 -0.08 -0.27 0.00 -0.87 0.00 0.00 58.31 57.24 1uhf n LYS 62 Cb 0.46 -2.89 -0.14 0.00 0.02 0.00 0.00 35.03 32.47 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 10.88 2.62 -0.62 3.14 -1.08 -1.26 -4.85 116.67 125.50 1uhf s ASP 63 Ca 1.08 -0.53 -0.14 0.00 -0.52 0.00 0.00 52.55 52.45 1uhf s ASP 63 Cb -0.47 -0.23 0.02 0.00 -1.46 0.00 0.00 42.92 40.78 1uhf s ASP 63 CO 0.31 0.19 0.64 -1.20 0.52 0.00 0.00 175.17 175.63 1uhf n SER 64 N 1.89 -6.43 -0.24 -0.34 7.64 -1.26 -4.66 113.62 110.21 1uhf n SER 64 Ca -0.17 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1uhf n SER 64 Cb 0.53 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 1uhf n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhf n GLY 65 N -1.01 0.13 0.15 0.23 0.00 -1.26 -4.12 105.19 99.31 1uhf n GLY 65 Ca -0.09 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 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 0.44 -4.06 1.61 0.13 -1.97 -3.47 132.00 124.70 1uhf h PRO 66 Ca 0.00 -0.43 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 1uhf h PRO 66 Cb 0.00 0.11 -0.23 0.00 0.13 0.00 0.00 31.00 31.01 1uhf h PRO 66 CO 0.00 1.08 -0.71 -1.54 -0.23 0.00 0.00 178.00 176.60 1uhf s SER 67 N -6.72 0.33 0.32 1.44 1.04 -1.26 -4.87 113.70 103.97 1uhf s SER 67 Ca -0.13 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1uhf s SER 67 Cb 0.04 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1uhf s SER 67 CO 0.82 -0.20 0.00 -0.24 0.98 0.00 0.00 173.24 174.60 1uhf n SER 68 N 1.95 -2.85 0.00 7.02 2.88 -1.26 -5.03 113.62 116.33 1uhf n SER 68 Ca -0.21 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1uhf n SER 68 Cb 0.56 2.79 0.00 0.00 -0.75 0.00 0.00 64.21 66.81 1uhf n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42