#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1a n SER 2 N 0.00 3.31 -4.59 1.61 7.64 -1.26 -4.95 113.62 115.38 1p1a n SER 2 Ca 0.00 -2.10 -0.31 0.00 1.01 0.00 0.00 58.87 57.47 1p1a n SER 2 Cb 0.00 -0.84 0.17 0.00 -1.01 0.00 0.00 64.21 62.54 1p1a n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p1a n HIS 3 N 3.27 0.15 -4.20 1.43 -0.00 -1.26 -4.44 115.22 110.16 1p1a n HIS 3 Ca 0.28 0.30 -0.14 0.00 -0.00 0.00 0.00 57.72 58.16 1p1a n HIS 3 Cb 0.35 -1.92 -0.10 0.00 -0.00 0.00 0.00 29.99 28.32 1p1a n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1p1a s MET 4 N -4.41 0.91 0.06 -1.40 0.00 -0.14 -4.90 119.30 109.43 1p1a s MET 4 Ca 0.65 -1.27 0.00 0.00 0.00 0.00 0.00 55.69 55.08 1p1a s MET 4 Cb -0.23 -0.52 -0.04 0.00 0.00 0.00 0.00 34.83 34.04 1p1a s MET 4 CO 0.61 0.07 0.19 -0.65 0.00 0.00 0.00 175.02 175.24 1p1a s GLN 5 N -3.21 3.36 0.04 3.16 -0.21 -1.26 -1.75 119.66 119.80 1p1a s GLN 5 Ca 0.10 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 55.02 1p1a s GLN 5 Cb -0.00 -3.00 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 1p1a s GLN 5 CO -0.00 0.60 -0.08 0.08 -2.12 0.00 0.00 175.29 173.77 1p1a s VAL 6 N -1.50 0.58 -0.28 1.09 1.01 -0.00 -3.71 120.40 117.59 1p1a s VAL 6 Ca 0.34 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1p1a s VAL 6 Cb -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1p1a s VAL 6 CO 0.27 -0.37 0.05 -0.89 0.00 0.00 0.00 175.10 174.16 1p1a s THR 7 N -1.38 3.77 -0.12 3.92 2.01 -1.26 -2.29 115.64 120.29 1p1a s THR 7 Ca -0.09 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1p1a s THR 7 Cb -0.10 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1p1a s THR 7 CO 0.01 0.13 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.25 1p1a s LEU 8 N 1.48 3.18 0.02 4.42 1.43 0.63 -1.42 118.68 128.41 1p1a s LEU 8 Ca 0.03 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1p1a s LEU 8 Cb -0.17 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1p1a s LEU 8 CO 0.01 0.23 -0.18 -0.75 0.23 0.00 0.00 176.35 175.89 1p1a s LYS 9 N -0.03 1.31 0.13 1.70 2.47 0.29 -0.84 119.74 124.78 1p1a s LYS 9 Ca 0.00 -0.77 0.05 0.00 -1.56 0.00 0.00 55.97 53.70 1p1a s LYS 9 Cb -0.13 -1.34 -0.04 0.00 -1.46 0.00 0.00 37.83 34.86 1p1a s LYS 9 CO 0.03 0.35 -0.12 0.95 0.16 0.00 0.00 175.35 176.72 1p1a s THR 10 N -0.64 1.25 0.51 3.43 -4.23 -0.59 -0.58 115.64 114.79 1p1a s THR 10 Ca 0.06 -1.80 0.26 0.00 -1.18 0.00 0.00 61.69 59.03 1p1a s THR 10 Cb -0.08 -1.60 0.31 0.00 1.34 0.00 0.00 72.50 72.48 1p1a s THR 10 CO 0.01 -0.52 2.16 -0.07 -0.54 0.00 0.00 174.62 175.65 1p1a h LEU 11 N 3.31 0.00 -0.38 4.79 3.38 -1.89 -2.60 115.31 121.92 1p1a h LEU 11 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1p1a h LEU 11 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1p1a h LEU 11 CO 0.54 0.06 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1p1a n GLN 12 N -3.89 0.97 -3.50 1.13 3.00 -1.26 -4.90 117.38 108.94 1p1a n GLN 12 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.76 1p1a n GLN 12 Cb 0.15 -1.18 0.08 0.00 0.00 0.00 0.00 30.24 29.29 1p1a n GLN 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1p1a n GLN 13 N -0.31 -7.23 -4.25 -1.09 3.00 -0.98 -5.04 117.38 101.49 1p1a n GLN 13 Ca 0.00 0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 57.65 1p1a n GLN 13 Cb 0.09 -5.81 -0.11 0.00 0.00 0.00 0.00 30.24 24.41 1p1a n GLN 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1p1a s GLN 14 N -5.85 1.05 0.01 -1.09 0.74 -1.26 -4.99 119.66 108.26 1p1a s GLN 14 Ca 0.31 -1.33 0.02 0.00 0.05 0.00 0.00 55.36 54.41 1p1a s GLN 14 Cb -0.14 -0.82 -0.01 0.00 1.10 0.00 0.00 33.01 33.14 1p1a s GLN 14 CO 0.72 0.14 -0.05 0.99 -0.55 0.00 0.00 175.29 176.53 1p1a s THR 15 N -2.57 0.40 0.23 -0.34 2.01 -1.26 -1.54 115.64 112.58 1p1a s THR 15 Ca 0.12 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1p1a s THR 15 Cb -0.02 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1p1a s THR 15 CO 0.03 -0.01 0.35 0.72 -0.69 0.00 0.00 174.62 175.01 1p1a s PHE 16 N -0.42 0.67 -0.02 4.92 -0.71 -0.02 -4.99 117.98 117.41 1p1a s PHE 16 Ca -0.01 -0.97 0.02 0.00 -1.04 0.00 0.00 56.93 54.92 1p1a s PHE 16 Cb -0.04 -0.09 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1p1a s PHE 16 CO -0.00 -0.87 -0.06 0.15 -1.34 0.00 0.00 175.22 173.10 1p1a s LYS 17 N -4.05 0.70 0.29 1.99 1.02 -1.26 -0.27 119.74 118.17 1p1a s LYS 17 Ca 0.29 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.13 1p1a s LYS 17 Cb 0.02 -0.69 -0.03 0.00 -0.52 0.00 0.00 37.83 36.60 1p1a s LYS 17 CO 0.10 0.05 0.25 0.96 -0.92 0.00 0.00 175.35 175.78 1p1a s ILE 18 N 0.34 0.00 0.00 2.17 -5.25 -0.97 -4.99 121.20 112.50 1p1a s ILE 18 Ca -0.04 -1.98 -0.00 0.00 -0.99 0.00 0.00 60.65 57.63 1p1a s ILE 18 Cb -0.08 -2.50 -0.00 0.00 2.95 0.00 0.00 42.46 42.82 1p1a s ILE 18 CO 0.00 0.00 0.00 1.51 -1.79 0.00 0.00 174.94 174.66 1p1a s ASP 19 N -3.31 0.01 0.23 4.36 -4.77 -1.26 -0.82 116.67 111.11 1p1a s ASP 19 Ca 0.40 -0.02 -0.08 0.00 -3.30 0.00 0.00 52.55 49.55 1p1a s ASP 19 Cb 0.04 0.01 -0.02 0.00 -1.09 0.00 0.00 42.92 41.86 1p1a s ASP 19 CO 0.23 -0.02 0.33 0.27 0.70 0.00 0.00 175.17 176.69 1p1a s ILE 20 N -0.08 0.00 0.14 2.11 -0.00 -0.71 -4.99 121.20 117.67 1p1a s ILE 20 Ca -0.01 -1.66 -0.30 0.00 -0.00 0.00 0.00 60.65 58.68 1p1a s ILE 20 Cb -0.01 -2.34 -0.07 0.00 -0.00 0.00 0.00 42.46 40.05 1p1a s ILE 20 CO -0.00 0.00 1.19 -1.81 -0.00 0.00 0.00 174.94 174.32 1p1a s ASP 21 N -3.08 7.10 0.49 4.36 1.01 -1.26 -0.96 116.67 124.33 1p1a s ASP 21 Ca 0.29 2.14 0.21 0.00 0.71 0.00 0.00 52.55 55.91 1p1a s ASP 21 Cb 0.02 -2.60 1.26 0.00 1.01 0.00 0.00 42.92 42.62 1p1a s ASP 21 CO 0.11 -0.39 1.98 -0.65 0.21 0.00 0.00 175.17 176.42 1p1a h PRO 22 N 5.80 0.15 0.00 8.23 0.11 -1.91 -1.61 132.00 142.77 1p1a h PRO 22 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1p1a h PRO 22 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1p1a h PRO 22 CO 0.77 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 1p1a n GLU 23 N -4.42 0.06 -2.56 1.05 -0.58 -1.26 -1.66 120.64 111.27 1p1a n GLU 23 Ca 0.11 0.16 -0.28 0.00 -0.42 0.00 0.00 57.16 56.73 1p1a n GLU 23 Cb 0.55 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1p1a n GLU 23 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1p1a s GLU 24 N -3.05 3.57 0.69 3.49 2.56 -0.61 -4.71 118.70 120.64 1p1a s GLU 24 Ca 0.10 0.29 -0.10 0.00 0.00 0.00 0.00 54.97 55.27 1p1a s GLU 24 Cb 0.14 -2.34 0.02 0.00 2.00 0.00 0.00 34.13 33.95 1p1a s GLU 24 CO 0.44 -0.24 1.05 0.95 -0.56 0.00 0.00 175.26 176.90 1p1a s THR 25 N -2.76 3.30 0.45 -1.70 -4.23 -1.26 -0.97 115.64 108.47 1p1a s THR 25 Ca 0.49 0.25 0.18 0.00 -1.18 0.00 0.00 61.69 61.43 1p1a s THR 25 Cb -0.10 -3.39 0.37 0.00 1.34 0.00 0.00 72.50 70.71 1p1a s THR 25 CO 0.45 -0.48 1.93 0.58 -0.54 0.00 0.00 174.62 176.56 1p1a h VAL 26 N -0.56 0.77 -1.03 2.29 2.07 -1.62 -2.31 116.25 115.86 1p1a h VAL 26 Ca -0.45 -0.11 0.27 0.00 0.82 0.00 0.00 66.70 67.23 1p1a h VAL 26 Cb 1.27 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 31.34 1p1a h VAL 26 CO 0.63 0.06 0.62 0.50 0.02 0.00 0.00 177.57 179.40 1p1a h LYS 27 N 0.32 0.46 -0.05 1.57 3.64 -1.81 -0.69 116.57 120.02 1p1a h LYS 27 Ca 0.35 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1p1a h LYS 27 Cb 0.91 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1p1a h LYS 27 CO -0.09 0.31 -0.04 0.00 -2.27 0.00 0.00 179.45 177.35 1p1a h ALA 28 N 1.71 0.07 -0.01 5.00 0.00 -1.75 0.22 119.26 124.51 1p1a h ALA 28 Ca 0.65 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1p1a h ALA 28 Cb 1.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1p1a h ALA 28 CO -0.45 -0.16 -0.30 1.37 0.00 0.00 0.00 179.25 179.71 1p1a h LEU 29 N -0.31 0.02 -0.16 0.00 8.10 -1.60 -1.52 115.31 119.84 1p1a h LEU 29 Ca 0.01 -0.01 -0.23 0.00 0.11 0.00 0.00 57.88 57.76 1p1a h LEU 29 Cb 0.51 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1p1a h LEU 29 CO 0.01 0.32 -0.92 0.50 -4.11 0.00 0.00 178.44 174.25 1p1a h LYS 30 N 0.02 0.53 0.10 0.17 3.11 -1.05 -3.29 116.57 116.16 1p1a h LYS 30 Ca 0.00 -0.53 -0.27 0.00 -2.81 0.00 0.00 60.65 57.03 1p1a h LYS 30 Cb 0.54 0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1p1a h LYS 30 CO 0.04 1.16 -1.19 1.05 -2.81 0.00 0.00 179.45 177.71 1p1a h GLU 31 N 0.32 0.44 -0.07 1.90 4.11 -0.41 -3.34 114.58 117.52 1p1a h GLU 31 Ca -0.08 -0.61 -0.06 0.00 0.07 0.00 0.00 59.36 58.67 1p1a h GLU 31 Cb 1.55 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1p1a h GLU 31 CO 0.17 1.26 -0.23 1.57 0.07 0.00 0.00 179.01 181.85 1p1a h LYS 32 N 0.18 0.12 0.00 1.06 5.09 -1.39 -2.81 116.57 118.84 1p1a h LYS 32 Ca -0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 60.54 1p1a h LYS 32 Cb 1.87 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 34.18 1p1a h LYS 32 CO 0.21 0.35 -0.10 -0.84 -2.09 0.00 0.00 179.45 176.99 1p1a h ILE 33 N 0.12 0.17 -0.73 0.07 -0.00 -1.69 -2.94 117.51 112.50 1p1a h ILE 33 Ca 0.02 -1.21 0.04 0.00 -0.00 0.00 0.00 64.86 63.72 1p1a h ILE 33 Cb 0.48 2.06 -0.04 0.00 -0.00 0.00 0.00 36.82 39.31 1p1a h ILE 33 CO 0.03 0.09 0.48 -0.08 -0.00 0.00 0.00 178.15 178.68 1p1a h GLU 34 N 0.00 0.83 0.00 0.16 4.81 -1.62 0.60 114.58 119.36 1p1a h GLU 34 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1p1a h GLU 34 Cb 1.05 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1p1a h GLU 34 CO 0.01 0.55 -0.19 0.77 -0.73 0.00 0.00 179.01 179.42 1p1a h SER 35 N 0.85 0.00 0.00 1.04 0.02 -1.61 -1.22 113.55 112.63 1p1a h SER 35 Ca 0.30 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.89 1p1a h SER 35 Cb 0.12 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.59 1p1a h SER 35 CO -0.09 0.19 -2.37 -0.62 -1.14 0.00 0.00 176.83 172.79 1p1a n GLU 36 N -3.43 0.74 -0.00 3.45 1.02 -0.87 -4.64 120.64 116.91 1p1a n GLU 36 Ca -0.00 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.24 1p1a n GLU 36 Cb 0.37 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 1p1a n GLU 36 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1p1a n LYS 37 N -2.89 1.93 0.00 3.49 4.76 0.15 -5.11 118.16 120.48 1p1a n LYS 37 Ca -0.36 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.03 1p1a n LYS 37 Cb 1.08 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 1p1a n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p1a n GLY 38 N 1.49 -1.41 0.29 0.72 0.00 -0.46 -4.54 105.19 101.28 1p1a n GLY 38 Ca 0.00 -1.26 0.20 0.00 0.00 0.00 0.00 46.02 44.96 1p1a n GLY 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1p1a h LYS 39 N 0.00 0.00 0.00 1.61 5.09 -1.78 -0.41 116.57 121.08 1p1a h LYS 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1p1a h LYS 39 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1p1a h LYS 39 CO 0.00 0.00 0.00 0.38 -2.09 0.00 0.00 179.45 177.74 1p1a h ASP 40 N 0.00 0.00 0.00 7.07 2.03 -1.94 -2.96 116.42 120.62 1p1a h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1p1a h ASP 40 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1p1a h ASP 40 CO 0.00 0.00 -0.63 0.00 -1.03 0.00 0.00 179.24 177.58 1p1a n ALA 41 N -1.81 1.41 -3.18 4.15 0.00 -0.70 -4.93 120.51 115.45 1p1a n ALA 41 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1p1a n ALA 41 Cb 0.17 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1p1a n ALA 41 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1p1a n PHE 42 N -1.14 -0.11 -2.15 0.00 3.72 -0.25 -4.95 117.46 112.58 1p1a n PHE 42 Ca 0.00 -3.68 -0.42 0.00 -0.05 0.00 0.00 57.45 53.30 1p1a n PHE 42 Cb 0.12 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1p1a n PHE 42 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1p1a s PRO 43 N -1.84 4.30 0.54 -1.08 0.04 -1.12 -4.46 135.00 131.38 1p1a s PRO 43 Ca 0.38 2.08 0.21 0.00 0.04 0.00 0.00 61.00 63.71 1p1a s PRO 43 Cb 0.27 -3.34 1.43 0.00 0.04 0.00 0.00 34.50 32.91 1p1a s PRO 43 CO -0.09 -0.49 2.15 0.28 0.04 0.00 0.00 177.00 178.88 1p1a h VAL 44 N 4.42 0.82 0.00 -0.36 2.07 -1.89 0.12 116.25 121.43 1p1a h VAL 44 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1p1a h VAL 44 Cb 1.20 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1p1a h VAL 44 CO 0.88 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.47 1p1a n ALA 45 N -2.49 1.78 -1.01 1.67 0.00 -1.26 -4.28 120.51 114.92 1p1a n ALA 45 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1p1a n ALA 45 Cb 0.18 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1p1a n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1a n GLY 46 N 0.14 1.00 3.87 0.00 0.00 -0.46 -5.09 105.19 104.65 1p1a n GLY 46 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1p1a n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p1a s GLN 47 N 0.00 3.78 0.05 1.61 -2.07 0.28 -1.92 119.66 121.39 1p1a s GLN 47 Ca 0.00 0.56 -0.01 0.00 -1.82 0.00 0.00 55.36 54.09 1p1a s GLN 47 Cb 0.00 -2.32 -0.03 0.00 -1.09 0.00 0.00 33.01 29.57 1p1a s GLN 47 CO 0.00 -0.13 -0.02 0.21 -1.32 0.00 0.00 175.29 174.03 1p1a s LYS 48 N -4.05 0.57 0.12 9.60 2.47 0.28 -4.97 119.74 123.76 1p1a s LYS 48 Ca 0.53 -1.09 0.05 0.00 -1.56 0.00 0.00 55.97 53.89 1p1a s LYS 48 Cb -0.10 0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.43 1p1a s LYS 48 CO 0.34 -0.11 -0.11 -0.51 0.16 0.00 0.00 175.35 175.12 1p1a s LEU 49 N -2.65 2.44 -0.01 5.43 1.02 -1.26 -0.67 118.68 122.99 1p1a s LEU 49 Ca 0.03 -0.87 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 1p1a s LEU 49 Cb 0.05 -0.39 -0.00 0.00 0.02 0.00 0.00 46.19 45.87 1p1a s LEU 49 CO -0.08 -0.25 0.02 -0.63 0.02 0.00 0.00 176.35 175.43 1p1a s ILE 50 N -2.59 0.02 -0.76 -0.59 -1.09 -0.42 -3.72 121.20 112.05 1p1a s ILE 50 Ca 0.09 -0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 1p1a s ILE 50 Cb -0.02 -0.08 0.19 0.00 -1.58 0.00 0.00 42.46 40.97 1p1a s ILE 50 CO 0.01 -0.07 0.60 -0.47 -1.23 0.00 0.00 174.94 173.78 1p1a s TYR 51 N -0.20 3.65 -0.92 3.97 5.04 -0.72 -0.48 117.35 127.69 1p1a s TYR 51 Ca -0.02 -2.99 0.00 0.00 -2.44 0.00 0.00 57.07 51.61 1p1a s TYR 51 Cb -0.02 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.17 1p1a s TYR 51 CO -0.00 -0.74 0.00 0.00 -1.34 0.00 0.00 175.55 173.47 1p1a n ALA 52 N 2.66 -0.57 0.00 3.97 0.00 -1.26 -1.76 120.51 123.55 1p1a n ALA 52 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1p1a n ALA 52 Cb 0.37 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1p1a n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1a n GLY 53 N -0.53 0.49 3.77 0.00 0.00 -1.26 -5.14 105.19 102.51 1p1a n GLY 53 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1p1a n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p1a s LYS 54 N 0.00 3.09 -0.83 1.61 1.02 -0.72 -5.07 119.74 118.83 1p1a s LYS 54 Ca 0.00 -0.42 -0.14 0.00 0.02 0.00 0.00 55.97 55.43 1p1a s LYS 54 Cb 0.00 -2.88 0.22 0.00 -0.52 0.00 0.00 37.83 34.64 1p1a s LYS 54 CO 0.00 0.68 0.79 0.42 -0.92 0.00 0.00 175.35 176.32 1p1a s ILE 55 N -1.08 5.58 0.36 2.17 1.09 -1.26 -1.75 121.20 126.31 1p1a s ILE 55 Ca 0.19 -2.44 -0.28 0.00 -1.10 0.00 0.00 60.65 57.01 1p1a s ILE 55 Cb -0.12 -4.48 -0.11 0.00 -1.06 0.00 0.00 42.46 36.69 1p1a s ILE 55 CO 0.09 -1.05 1.46 -0.76 -0.10 0.00 0.00 174.94 174.58 1p1a s LEU 56 N 0.26 4.34 -0.04 2.97 1.02 -1.24 -5.04 118.68 120.95 1p1a s LEU 56 Ca 0.19 2.98 0.03 0.00 0.02 0.00 0.00 54.13 57.34 1p1a s LEU 56 Cb -0.10 -3.66 0.01 0.00 0.02 0.00 0.00 46.19 42.46 1p1a s LEU 56 CO -0.09 -0.82 -0.11 0.21 0.02 0.00 0.00 176.35 175.57 1p1a s ASN 57 N -0.15 1.49 0.48 2.29 3.84 -1.26 -4.74 114.94 116.88 1p1a s ASN 57 Ca 0.53 -0.24 0.31 0.00 0.21 0.00 0.00 52.86 53.67 1p1a s ASN 57 Cb -0.45 -0.50 1.69 0.00 -0.55 0.00 0.00 41.25 41.44 1p1a s ASN 57 CO 0.60 0.06 1.95 0.44 -2.79 0.00 0.00 177.10 177.36 1p1a h ASP 58 N 6.57 0.00 0.00 -4.21 5.19 -1.96 -2.75 116.42 119.26 1p1a h ASP 58 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1p1a h ASP 58 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1p1a h ASP 58 CO 0.48 0.00 -0.03 -0.90 -3.12 0.00 0.00 179.24 175.67 1p1a n ASP 59 N -2.61 2.07 -4.17 6.45 5.75 -1.26 -3.64 116.55 119.15 1p1a n ASP 59 Ca -0.02 -2.77 -0.30 0.00 -0.01 0.00 0.00 54.79 51.70 1p1a n ASP 59 Cb 0.08 -0.32 -0.17 0.00 -1.03 0.00 0.00 41.12 39.68 1p1a n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1p1a s THR 60 N -2.26 1.77 0.40 2.12 2.01 -1.04 -5.03 115.64 113.61 1p1a s THR 60 Ca 0.23 -0.86 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 1p1a s THR 60 Cb 0.20 -1.54 -0.09 0.00 0.01 0.00 0.00 72.50 71.08 1p1a s THR 60 CO 0.02 0.50 1.31 0.00 -0.69 0.00 0.00 174.62 175.76 1p1a s ALA 61 N 0.36 3.28 0.39 7.40 0.00 -1.26 -3.07 121.76 128.86 1p1a s ALA 61 Ca -0.15 1.25 0.09 0.00 0.00 0.00 0.00 51.96 53.15 1p1a s ALA 61 Cb -0.17 -3.49 0.81 0.00 0.00 0.00 0.00 23.12 20.27 1p1a s ALA 61 CO 0.07 -0.83 1.94 -0.07 0.00 0.00 0.00 175.76 176.87 1p1a h LEU 62 N 2.72 0.27 -1.24 0.00 3.38 -0.90 -1.85 115.31 117.70 1p1a h LEU 62 Ca -0.50 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1p1a h LEU 62 Cb 1.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1p1a h LEU 62 CO 0.63 0.37 0.00 0.07 0.09 0.00 0.00 178.44 179.60 1p1a h LYS 63 N 0.28 0.00 0.00 1.13 -0.00 -1.60 -1.45 116.57 114.93 1p1a h LYS 63 Ca 0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.64 1p1a h LYS 63 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.51 1p1a h LYS 63 CO 0.01 0.00 -0.36 0.93 -0.00 0.00 0.00 179.45 180.03 1p1a h GLU 64 N 0.00 0.00 -0.00 0.07 4.39 -1.64 -2.91 114.58 114.49 1p1a h GLU 64 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1p1a h GLU 64 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1p1a h GLU 64 CO 0.00 0.36 -0.36 0.66 -1.16 0.00 0.00 179.01 178.52 1p1a n TYR 65 N -3.81 0.00 -3.98 4.33 4.01 -0.56 -4.99 117.16 112.16 1p1a n TYR 65 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 1p1a n TYR 65 Cb 0.44 -0.24 -0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1p1a n TYR 65 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1p1a n LYS 66 N -1.24 -4.12 -2.07 -0.72 5.02 -1.10 -4.95 118.16 108.97 1p1a n LYS 66 Ca 0.08 0.48 -0.38 0.00 -2.02 0.00 0.00 58.31 56.47 1p1a n LYS 66 Cb 0.33 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 1p1a n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p1a s ILE 67 N -3.55 2.69 0.00 -0.18 1.01 -1.26 -5.06 121.20 114.85 1p1a s ILE 67 Ca 0.40 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.59 1p1a s ILE 67 Cb -0.21 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 1p1a s ILE 67 CO 0.87 0.02 0.01 -0.62 0.00 0.00 0.00 174.94 175.23 1p1a s ASP 68 N -1.05 0.05 0.66 3.58 -1.08 -1.26 -5.02 116.67 112.54 1p1a s ASP 68 Ca 0.63 -0.10 0.39 0.00 -0.52 0.00 0.00 52.55 52.95 1p1a s ASP 68 Cb -0.35 0.06 2.16 0.00 -1.46 0.00 0.00 42.92 43.33 1p1a s ASP 68 CO 0.43 -0.09 2.23 -0.08 0.52 0.00 0.00 175.17 178.18 1p1a h GLU 69 N 5.70 0.00 -0.00 4.34 4.81 -1.96 -1.81 114.58 125.66 1p1a h GLU 69 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1p1a h GLU 69 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1p1a h GLU 69 CO 0.47 0.00 -0.25 1.63 -0.73 0.00 0.00 179.01 180.13 1p1a n LYS 70 N -3.08 0.08 -4.52 1.92 5.02 -1.26 -4.70 118.16 111.62 1p1a n LYS 70 Ca -0.02 -0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1p1a n LYS 70 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1p1a n LYS 70 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1p1a s ASN 71 N -2.94 4.26 0.21 4.39 2.47 -0.68 -5.16 114.94 117.49 1p1a s ASN 71 Ca 0.14 -1.54 0.01 0.00 0.42 0.00 0.00 52.86 51.89 1p1a s ASN 71 Cb 0.18 0.46 -0.05 0.00 -1.45 0.00 0.00 41.25 40.40 1p1a s ASN 71 CO 0.61 -0.90 0.08 0.72 -3.72 0.00 0.00 177.10 173.88 1p1a s PHE 72 N -2.84 1.30 -0.05 0.43 -0.12 -1.26 -4.30 117.98 111.14 1p1a s PHE 72 Ca 0.14 -1.19 -0.01 0.00 -0.05 0.00 0.00 56.93 55.82 1p1a s PHE 72 Cb 0.01 -0.73 0.03 0.00 -0.63 0.00 0.00 43.02 41.70 1p1a s PHE 72 CO 0.08 -0.40 0.01 0.08 -0.05 0.00 0.00 175.22 174.94 1p1a s VAL 73 N -3.86 0.23 -0.29 -2.49 1.01 -0.51 -4.12 120.40 110.38 1p1a s VAL 73 Ca 0.33 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1p1a s VAL 73 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1p1a s VAL 73 CO 0.10 0.20 0.22 -0.69 0.00 0.00 0.00 175.10 174.93 1p1a s VAL 74 N 1.53 5.29 -0.15 2.92 1.01 0.37 -0.55 120.40 130.82 1p1a s VAL 74 Ca -0.02 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1p1a s VAL 74 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1p1a s VAL 74 CO -0.03 0.19 0.14 -0.69 0.00 0.00 0.00 175.10 174.71 1p1a s VAL 75 N 1.79 5.46 0.10 2.92 1.01 0.25 -1.30 120.40 130.63 1p1a s VAL 75 Ca 0.08 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1p1a s VAL 75 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1p1a s VAL 75 CO 0.11 0.54 -0.05 -0.04 0.00 0.00 0.00 175.10 175.67 1p1a s MET 76 N -0.44 0.82 -0.00 2.72 -1.94 0.16 -3.41 119.30 117.20 1p1a s MET 76 Ca 0.12 -1.34 0.01 0.00 -1.71 0.00 0.00 55.69 52.78 1p1a s MET 76 Cb -0.12 -0.10 -0.00 0.00 2.01 0.00 0.00 34.83 36.62 1p1a s MET 76 CO 0.02 -0.06 -0.03 0.08 -0.01 0.00 0.00 175.02 175.02 1p1a s VAL 77 N -3.71 0.20 0.02 -6.03 1.01 -1.26 -0.56 120.40 110.07 1p1a s VAL 77 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1p1a s VAL 77 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1p1a s VAL 77 CO -0.05 0.03 -0.02 0.28 0.00 0.00 0.00 175.10 175.35 1p1a s THR 78 N -0.13 0.11 -0.04 3.92 -1.32 -0.81 -5.01 115.64 112.37 1p1a s THR 78 Ca 0.00 -0.94 -0.08 0.00 -1.21 0.00 0.00 61.69 59.47 1p1a s THR 78 Cb -0.01 -0.34 0.01 0.00 -1.51 0.00 0.00 72.50 70.65 1p1a s THR 78 CO -0.00 -0.52 0.18 -0.75 -2.21 0.00 0.00 174.62 171.32 1p1a s LYS 79 N -1.58 0.37 0.65 7.08 2.20 -1.26 -4.75 119.74 122.45 1p1a s LYS 79 Ca -0.15 -0.04 0.26 0.00 -0.36 0.00 0.00 55.97 55.68 1p1a s LYS 79 Cb -0.09 0.16 1.42 0.00 -1.51 0.00 0.00 37.83 37.81 1p1a s LYS 79 CO -0.01 -0.08 1.80 -1.35 -0.36 0.00 0.00 175.35 175.35 1p1a h PRO 80 N 5.04 0.00 0.00 4.03 0.11 -2.02 -1.68 132.00 137.49 1p1a h PRO 80 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1p1a h PRO 80 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1p1a h PRO 80 CO 0.39 0.00 -0.01 1.57 -0.21 0.00 0.00 178.00 179.74 1p1a h LYS 81 N 0.00 0.00 -6.17 1.05 2.10 -2.06 -3.44 116.57 108.05 1p1a h LYS 81 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 1p1a h LYS 81 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1p1a h LYS 81 CO 0.00 0.01 1.34 0.00 -2.00 0.00 0.00 179.45 178.81 1p1a s ALA 82 N -4.03 3.13 0.00 0.07 0.00 -0.63 -4.81 121.76 115.48 1p1a s ALA 82 Ca -0.03 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1p1a s ALA 82 Cb 0.12 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1p1a s ALA 82 CO 0.47 -2.22 0.00 1.55 0.00 0.00 0.00 175.76 175.56 1p1a n VAL 83 N 6.72 0.00 -1.74 0.00 3.14 -1.26 -5.07 118.33 120.12 1p1a n VAL 83 Ca 0.24 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.26 1p1a n VAL 83 Cb 0.43 1.79 0.07 0.00 -1.06 0.00 0.00 33.84 35.08 1p1a n VAL 83 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1p1a s SER 84 N 0.00 4.60 0.00 6.55 0.01 -1.26 -5.32 113.70 118.28 1p1a s SER 84 Ca 0.00 2.62 0.00 0.00 1.31 0.00 0.00 55.95 59.88 1p1a s SER 84 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1p1a s SER 84 CO 0.00 -2.01 0.00 0.35 0.41 0.00 0.00 173.24 171.99