#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 0.00 -1.61 1.61 3.41 -1.26 -5.14 113.62 110.63 1p1a n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1p1a n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1p1a n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1p1a n HIS 3 N -0.19 -4.22 -4.08 7.33 -0.00 -1.26 -5.03 115.22 107.77 1p1a n HIS 3 Ca 0.00 2.28 -0.07 0.00 -0.00 0.00 0.00 57.72 59.92 1p1a n HIS 3 Cb 0.00 -3.47 -0.10 0.00 -0.00 0.00 0.00 29.99 26.42 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 -4.80 0.63 0.08 -0.41 0.00 -0.41 -4.82 119.30 109.56 1p1a s MET 4 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 55.69 54.48 1p1a s MET 4 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 34.83 35.01 1p1a s MET 4 CO 0.00 -0.12 0.23 -0.65 0.00 0.00 0.00 175.02 174.48 1p1a s GLN 5 N -3.92 3.45 0.02 3.16 -0.21 -1.26 -2.15 119.66 118.74 1p1a s GLN 5 Ca 0.07 -0.45 0.01 0.00 0.02 0.00 0.00 55.36 55.01 1p1a s GLN 5 Cb 0.08 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 1p1a s GLN 5 CO -0.10 0.59 -0.04 0.08 -2.12 0.00 0.00 175.29 173.70 1p1a s VAL 6 N -1.56 0.19 -0.21 1.09 1.01 0.19 -4.12 120.40 117.00 1p1a s VAL 6 Ca 0.35 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1p1a s VAL 6 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1p1a s VAL 6 CO 0.28 -0.35 -0.01 -0.89 0.00 0.00 0.00 175.10 174.13 1p1a s THR 7 N -1.11 3.77 -0.13 3.92 2.01 -1.26 -1.05 115.64 121.80 1p1a s THR 7 Ca -0.11 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1p1a s THR 7 Cb -0.08 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.73 1p1a s THR 7 CO -0.00 0.42 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.37 1p1a s LEU 8 N 1.23 2.04 0.45 4.42 1.43 0.34 -0.73 118.68 127.86 1p1a s LEU 8 Ca 0.03 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1p1a s LEU 8 Cb -0.15 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1p1a s LEU 8 CO 0.01 0.08 0.24 -1.59 0.23 0.00 0.00 176.35 175.31 1p1a s LYS 9 N 0.77 2.26 0.18 1.70 -2.85 0.34 -0.80 119.74 121.34 1p1a s LYS 9 Ca -0.09 -1.90 -0.00 0.00 -1.00 0.00 0.00 55.97 52.97 1p1a s LYS 9 Cb -0.16 -2.01 -0.04 0.00 -2.06 0.00 0.00 37.83 33.56 1p1a s LYS 9 CO -0.00 -0.26 0.09 0.95 0.10 0.00 0.00 175.35 176.22 1p1a s THR 10 N -2.65 0.17 0.59 3.79 -4.23 -1.10 -0.77 115.64 111.44 1p1a s THR 10 Ca 0.37 -1.96 0.30 0.00 -1.18 0.00 0.00 61.69 59.22 1p1a s THR 10 Cb 0.02 -2.30 0.36 0.00 1.34 0.00 0.00 72.50 71.91 1p1a s THR 10 CO 0.21 -0.23 2.26 -0.07 -0.54 0.00 0.00 174.62 176.25 1p1a h LEU 11 N 2.70 0.00 0.00 4.79 4.07 -1.93 -0.80 115.31 124.14 1p1a h LEU 11 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1p1a h LEU 11 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1p1a h LEU 11 CO 0.57 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.93 1p1a n GLN 12 N -3.82 0.99 -3.43 1.13 1.13 -1.26 -4.95 117.38 107.17 1p1a n GLN 12 Ca -0.03 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.85 1p1a n GLN 12 Cb 0.09 -1.33 0.07 0.00 0.11 0.00 0.00 30.24 29.17 1p1a n GLN 12 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1p1a n GLN 13 N -0.83 -3.81 -3.89 -1.09 6.02 -0.31 -5.03 117.38 108.43 1p1a n GLN 13 Ca 0.16 0.77 -0.11 0.00 -0.01 0.00 0.00 57.00 57.81 1p1a n GLN 13 Cb 0.07 -5.53 -0.13 0.00 1.02 0.00 0.00 30.24 25.67 1p1a n GLN 13 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1p1a s GLN 14 N -5.12 0.08 0.00 -1.09 0.74 -1.26 -4.97 119.66 108.04 1p1a s GLN 14 Ca 0.25 -0.12 0.06 0.00 0.05 0.00 0.00 55.36 55.60 1p1a s GLN 14 Cb -0.05 0.03 -0.02 0.00 1.10 0.00 0.00 33.01 34.08 1p1a s GLN 14 CO 0.76 -0.01 -0.19 0.99 -0.55 0.00 0.00 175.29 176.30 1p1a s THR 15 N -0.32 1.48 0.23 -0.34 2.01 -1.26 -2.72 115.64 114.71 1p1a s THR 15 Ca -0.04 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 1p1a s THR 15 Cb -0.02 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1p1a s THR 15 CO -0.00 0.33 0.26 0.72 -0.69 0.00 0.00 174.62 175.24 1p1a s PHE 16 N -0.55 0.93 -0.16 4.92 -0.71 0.02 -4.96 117.98 117.47 1p1a s PHE 16 Ca 0.07 -1.18 0.00 0.00 -1.04 0.00 0.00 56.93 54.78 1p1a s PHE 16 Cb -0.08 -0.31 0.03 0.00 -1.21 0.00 0.00 43.02 41.45 1p1a s PHE 16 CO 0.00 -0.78 -0.13 0.15 -1.34 0.00 0.00 175.22 173.12 1p1a s LYS 17 N -4.04 2.23 0.18 1.99 -0.14 -1.26 -0.51 119.74 118.20 1p1a s LYS 17 Ca 0.34 -0.63 0.08 0.00 -1.36 0.00 0.00 55.97 54.40 1p1a s LYS 17 Cb 0.04 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 1p1a s LYS 17 CO 0.12 -0.28 -0.16 0.42 -0.76 0.00 0.00 175.35 174.69 1p1a s ILE 18 N 1.47 1.73 -0.03 2.17 -1.09 -0.22 -5.00 121.20 120.24 1p1a s ILE 18 Ca 0.03 -2.05 -0.01 0.00 -2.23 0.00 0.00 60.65 56.39 1p1a s ILE 18 Cb -0.14 -1.92 0.03 0.00 -1.58 0.00 0.00 42.46 38.85 1p1a s ILE 18 CO -0.10 -0.47 0.05 1.51 -1.23 0.00 0.00 174.94 174.70 1p1a s ASP 19 N -2.99 0.02 0.23 3.58 -4.77 -1.26 -0.63 116.67 110.84 1p1a s ASP 19 Ca 0.19 0.09 -0.06 0.00 -3.30 0.00 0.00 52.55 49.46 1p1a s ASP 19 Cb -0.03 0.00 -0.02 0.00 -1.09 0.00 0.00 42.92 41.78 1p1a s ASP 19 CO 0.06 -0.11 0.29 0.27 0.70 0.00 0.00 175.17 176.39 1p1a s ILE 20 N 0.86 0.00 0.26 2.11 -0.00 -0.92 -4.95 121.20 118.57 1p1a s ILE 20 Ca -0.07 -1.73 -0.29 0.00 -0.00 0.00 0.00 60.65 58.56 1p1a s ILE 20 Cb -0.10 -2.37 -0.09 0.00 -0.00 0.00 0.00 42.46 39.90 1p1a s ILE 20 CO -0.03 0.00 1.25 -0.62 -0.00 0.00 0.00 174.94 175.54 1p1a s ASP 21 N -3.10 6.96 0.57 4.36 2.15 -1.26 -1.29 116.67 125.06 1p1a s ASP 21 Ca 0.31 2.45 0.28 0.00 0.43 0.00 0.00 52.55 56.03 1p1a s ASP 21 Cb 0.03 -2.63 1.50 0.00 -0.30 0.00 0.00 42.92 41.52 1p1a s ASP 21 CO 0.11 -0.42 1.98 -0.65 -0.17 0.00 0.00 175.17 176.01 1p1a h PRO 22 N 4.31 0.00 -0.17 4.34 0.11 -1.90 -2.43 132.00 136.26 1p1a h PRO 22 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1p1a h PRO 22 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1p1a h PRO 22 CO 0.71 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1p1a n GLU 23 N -3.97 2.23 -1.51 1.05 0.28 -1.26 -1.70 120.64 115.76 1p1a n GLU 23 Ca 0.08 -1.64 -0.31 0.00 -0.16 0.00 0.00 57.16 55.13 1p1a n GLU 23 Cb 0.58 -1.17 0.06 0.00 1.43 0.00 0.00 31.44 32.34 1p1a n GLU 23 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1p1a s GLU 24 N -0.90 2.73 0.77 3.44 0.41 -0.92 -4.75 118.70 119.48 1p1a s GLU 24 Ca 0.13 1.06 -0.12 0.00 -0.41 0.00 0.00 54.97 55.64 1p1a s GLU 24 Cb 0.07 -1.96 0.06 0.00 -1.78 0.00 0.00 34.13 30.52 1p1a s GLU 24 CO 0.10 -1.27 1.14 0.95 -0.49 0.00 0.00 175.26 175.69 1p1a s THR 25 N -2.93 2.67 0.59 3.63 -4.23 -1.26 -1.29 115.64 112.82 1p1a s THR 25 Ca 0.60 0.22 0.28 0.00 -1.18 0.00 0.00 61.69 61.61 1p1a s THR 25 Cb -0.15 -3.19 0.37 0.00 1.34 0.00 0.00 72.50 70.87 1p1a s THR 25 CO 0.53 -0.28 2.00 0.58 -0.54 0.00 0.00 174.62 176.91 1p1a h VAL 26 N -0.92 0.44 -0.95 2.29 2.07 -1.60 -0.77 116.25 116.79 1p1a h VAL 26 Ca -0.46 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.31 1p1a h VAL 26 Cb 1.30 0.73 -0.13 0.00 -1.52 0.00 0.00 31.29 31.66 1p1a h VAL 26 CO 0.64 0.00 0.48 0.50 0.02 0.00 0.00 177.57 179.21 1p1a h LYS 27 N 0.00 0.41 -0.24 1.57 3.64 -1.83 -0.15 116.57 119.96 1p1a h LYS 27 Ca 0.15 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1p1a h LYS 27 Cb 0.83 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1p1a h LYS 27 CO -0.00 0.27 0.06 0.00 -2.27 0.00 0.00 179.45 177.51 1p1a h ALA 28 N 1.76 0.32 -0.11 5.00 0.00 -1.50 0.15 119.26 124.87 1p1a h ALA 28 Ca 0.63 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1p1a h ALA 28 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1p1a h ALA 28 CO -0.54 -0.03 0.08 -0.07 0.00 0.00 0.00 179.25 178.69 1p1a h LEU 29 N 0.22 0.09 0.00 0.00 3.38 -1.34 -2.94 115.31 114.72 1p1a h LEU 29 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1p1a h LEU 29 Cb 0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1p1a h LEU 29 CO 0.00 0.07 -1.37 2.29 0.09 0.00 0.00 178.44 179.51 1p1a n LYS 30 N -4.52 0.27 -0.23 1.13 -0.00 -0.19 -3.87 118.16 110.75 1p1a n LYS 30 Ca -0.01 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.31 58.15 1p1a n LYS 30 Cb 0.12 -1.19 0.04 0.00 -0.00 0.00 0.00 35.03 33.99 1p1a n LYS 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1p1a h GLU 31 N 0.00 0.98 -0.31 -1.58 5.08 -0.82 -3.37 114.58 114.56 1p1a h GLU 31 Ca -0.00 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 57.99 1p1a h GLU 31 Cb 0.38 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1p1a h GLU 31 CO 0.00 0.83 -0.52 1.57 -1.00 0.00 0.00 179.01 179.90 1p1a h LYS 32 N 0.91 0.89 0.00 2.33 5.09 -1.66 -3.24 116.57 120.89 1p1a h LYS 32 Ca 0.21 -0.54 -0.04 0.00 0.09 0.00 0.00 60.65 60.37 1p1a h LYS 32 Cb 0.24 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.62 1p1a h LYS 32 CO -0.01 1.18 -0.20 -0.84 -2.09 0.00 0.00 179.45 177.49 1p1a h ILE 33 N 0.69 0.51 -0.16 0.07 -0.00 -1.72 -2.49 117.51 114.40 1p1a h ILE 33 Ca 0.02 -1.03 0.03 0.00 -0.00 0.00 0.00 64.86 63.88 1p1a h ILE 33 Cb 1.12 1.72 -0.01 0.00 -0.00 0.00 0.00 36.82 39.65 1p1a h ILE 33 CO 0.12 0.20 0.11 -0.08 -0.00 0.00 0.00 178.15 178.50 1p1a h GLU 34 N 0.00 0.06 0.00 0.16 4.81 -1.73 0.88 114.58 118.76 1p1a h GLU 34 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1p1a h GLU 34 Cb 0.70 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1p1a h GLU 34 CO 0.03 0.04 0.00 0.43 -0.73 0.00 0.00 179.01 178.77 1p1a n SER 35 N -4.50 0.55 -0.01 1.04 7.64 -0.94 -1.29 113.62 116.11 1p1a n SER 35 Ca 0.00 0.65 -0.01 0.00 1.01 0.00 0.00 58.87 60.52 1p1a n SER 35 Cb 0.20 -0.76 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 1p1a n SER 35 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p1a n GLU 36 N -2.11 3.05 -0.00 1.43 1.02 -0.44 -4.77 120.64 118.82 1p1a n GLU 36 Ca 0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.22 1p1a n GLU 36 Cb 0.20 -1.04 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.15 2.78 0.00 3.49 4.76 0.17 -5.11 118.16 122.10 1p1a n LYS 37 Ca -0.03 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1p1a n LYS 37 Cb 0.55 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 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 1.34 -1.19 0.44 0.72 0.00 -0.41 -4.36 105.19 101.73 1p1a n GLY 38 Ca 0.02 -1.39 0.25 0.00 0.00 0.00 0.00 46.02 44.90 1p1a n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p1a h LYS 39 N 0.00 0.24 0.00 1.61 1.63 -1.81 -0.49 116.57 117.74 1p1a h LYS 39 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1p1a h LYS 39 Cb 0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1p1a h LYS 39 CO 0.00 0.16 0.00 0.22 -3.45 0.00 0.00 179.45 176.38 1p1a h ASP 40 N 0.25 0.00 0.00 4.20 3.58 -1.95 -3.27 116.42 119.24 1p1a h ASP 40 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 1p1a h ASP 40 Cb 1.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.59 1p1a h ASP 40 CO -0.15 0.00 -0.30 0.00 -2.88 0.00 0.00 179.24 175.92 1p1a n ALA 41 N -2.05 0.91 -3.18 -0.78 0.00 -0.94 -4.94 120.51 109.52 1p1a n ALA 41 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 1p1a n ALA 41 Cb 0.21 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.67 0.30 -1.90 0.00 3.01 -0.24 -4.95 117.46 113.02 1p1a n PHE 42 Ca 0.00 -3.77 -0.42 0.00 1.01 0.00 0.00 57.45 54.27 1p1a n PHE 42 Cb 0.07 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 39.10 1p1a n PHE 42 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1p1a s PRO 43 N -2.19 4.20 0.34 -1.08 0.04 -1.23 -4.56 135.00 130.53 1p1a s PRO 43 Ca 0.39 2.40 0.11 0.00 0.04 0.00 0.00 61.00 63.94 1p1a s PRO 43 Cb 0.30 -3.14 0.88 0.00 0.04 0.00 0.00 34.50 32.58 1p1a s PRO 43 CO -0.09 -0.63 1.79 -0.24 0.04 0.00 0.00 177.00 177.87 1p1a h VAL 44 N 3.98 0.66 0.00 -0.36 3.04 -1.91 0.65 116.25 122.31 1p1a h VAL 44 Ca -0.43 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1p1a h VAL 44 Cb 1.20 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1p1a h VAL 44 CO 0.92 0.11 0.00 0.00 -1.01 0.00 0.00 177.57 177.59 1p1a h ALA 45 N 1.64 1.00 0.00 3.17 0.00 -1.96 -3.32 119.26 119.79 1p1a h ALA 45 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1p1a h ALA 45 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1p1a h ALA 45 CO -0.33 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1p1a n GLY 46 N -1.06 1.00 3.79 0.00 0.00 -0.44 -5.02 105.19 103.46 1p1a n GLY 46 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 4.06 0.05 1.61 -2.07 0.09 -1.46 119.66 121.93 1p1a s GLN 47 Ca 0.00 1.40 -0.01 0.00 -1.82 0.00 0.00 55.36 54.93 1p1a s GLN 47 Cb 0.00 -2.35 -0.04 0.00 -1.09 0.00 0.00 33.01 29.54 1p1a s GLN 47 CO 0.00 -0.21 -0.03 0.21 -1.32 0.00 0.00 175.29 173.93 1p1a s LYS 48 N -2.83 0.57 0.04 9.60 2.20 0.50 -4.95 119.74 124.86 1p1a s LYS 48 Ca 0.61 -1.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1p1a s LYS 48 Cb -0.18 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.28 1p1a s LYS 48 CO 0.23 -0.10 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.58 1p1a s LEU 49 N -2.67 2.39 0.01 5.43 1.02 -1.26 -0.42 118.68 123.17 1p1a s LEU 49 Ca 0.03 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.38 1p1a s LEU 49 Cb 0.05 0.17 -0.01 0.00 0.02 0.00 0.00 46.19 46.42 1p1a s LEU 49 CO -0.08 -0.49 -0.02 -0.63 0.02 0.00 0.00 176.35 175.15 1p1a s ILE 50 N -2.99 0.11 -0.48 -0.59 -1.09 0.18 -1.90 121.20 114.44 1p1a s ILE 50 Ca -0.02 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1p1a s ILE 50 Cb 0.01 -0.15 0.13 0.00 -1.58 0.00 0.00 42.46 40.87 1p1a s ILE 50 CO -0.07 -0.13 0.23 -0.47 -1.23 0.00 0.00 174.94 173.27 1p1a s TYR 51 N -0.45 2.89 -1.57 3.97 5.04 -0.14 -0.81 117.35 126.28 1p1a s TYR 51 Ca -0.04 -2.93 0.00 0.00 -2.44 0.00 0.00 57.07 51.66 1p1a s TYR 51 Cb -0.03 -2.56 0.00 0.00 0.35 0.00 0.00 41.96 39.71 1p1a s TYR 51 CO -0.00 -0.78 0.00 0.00 -1.34 0.00 0.00 175.55 173.43 1p1a n ALA 52 N 3.38 -0.23 0.00 3.97 0.00 -1.26 -2.58 120.51 123.79 1p1a n ALA 52 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1p1a n ALA 52 Cb 0.34 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.28 -0.18 3.35 0.00 0.00 -1.26 -5.15 105.19 101.67 1p1a n GLY 53 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1p1a n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1a s LYS 54 N 0.00 1.31 -0.27 1.61 -2.85 -1.06 -5.13 119.74 113.35 1p1a s LYS 54 Ca 0.00 -1.38 -0.12 0.00 -1.00 0.00 0.00 55.97 53.47 1p1a s LYS 54 Cb 0.00 -1.51 -0.05 0.00 -2.06 0.00 0.00 37.83 34.21 1p1a s LYS 54 CO 0.00 0.32 0.22 0.42 0.10 0.00 0.00 175.35 176.42 1p1a s ILE 55 N -1.71 5.29 0.39 3.79 1.01 -1.26 -0.97 121.20 127.75 1p1a s ILE 55 Ca 0.15 0.26 -0.25 0.00 0.00 0.00 0.00 60.65 60.82 1p1a s ILE 55 Cb -0.07 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 1p1a s ILE 55 CO 0.07 0.26 1.08 -0.76 0.00 0.00 0.00 174.94 175.58 1p1a s LEU 56 N 1.63 4.18 -0.08 2.97 1.02 -0.80 -4.97 118.68 122.64 1p1a s LEU 56 Ca 0.09 2.12 0.01 0.00 0.02 0.00 0.00 54.13 56.37 1p1a s LEU 56 Cb -0.15 -4.11 0.02 0.00 0.02 0.00 0.00 46.19 41.97 1p1a s LEU 56 CO 0.09 -0.51 -0.09 0.21 0.02 0.00 0.00 176.35 176.07 1p1a s ASN 57 N -1.42 1.73 0.09 2.29 2.47 -1.26 -4.58 114.94 114.25 1p1a s ASN 57 Ca 0.57 -0.26 0.08 0.00 0.42 0.00 0.00 52.86 53.67 1p1a s ASN 57 Cb -0.25 -0.74 0.40 0.00 -1.45 0.00 0.00 41.25 39.21 1p1a s ASN 57 CO 0.31 -0.04 1.25 0.47 -3.72 0.00 0.00 177.10 175.37 1p1a n ASP 58 N 4.23 0.16 -0.40 -4.21 8.00 -1.26 -2.31 116.55 120.76 1p1a n ASP 58 Ca -0.20 0.57 0.04 0.00 0.71 0.00 0.00 54.79 55.91 1p1a n ASP 58 Cb 0.51 -0.59 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 1p1a n ASP 58 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1p1a n ASP 59 N -1.71 2.15 -4.18 -2.24 2.03 -1.26 -4.13 116.55 107.21 1p1a n ASP 59 Ca 0.00 -1.64 -0.22 0.00 0.52 0.00 0.00 54.79 53.45 1p1a n ASP 59 Cb 0.04 -0.08 -0.14 0.00 -0.72 0.00 0.00 41.12 40.23 1p1a n ASP 59 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1p1a s THR 60 N -0.84 1.32 0.37 5.18 2.01 -0.98 -5.03 115.64 117.67 1p1a s THR 60 Ca 0.13 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 60.86 1p1a s THR 60 Cb 0.08 -1.17 -0.10 0.00 0.01 0.00 0.00 72.50 71.32 1p1a s THR 60 CO 0.11 0.11 0.93 0.00 -0.69 0.00 0.00 174.62 175.08 1p1a s ALA 61 N -0.79 3.14 0.25 7.40 0.00 -1.26 -3.02 121.76 127.49 1p1a s ALA 61 Ca 0.04 0.44 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 1p1a s ALA 61 Cb -0.08 -3.15 0.36 0.00 0.00 0.00 0.00 23.12 20.25 1p1a s ALA 61 CO 0.01 0.16 1.59 -0.07 0.00 0.00 0.00 175.76 177.46 1p1a h LEU 62 N 2.60 -0.75 -2.48 0.00 -0.00 -1.27 -1.73 115.31 111.67 1p1a h LEU 62 Ca -0.48 0.25 -0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1p1a h LEU 62 Cb 1.19 0.51 -0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1p1a h LEU 62 CO 0.63 -0.27 -0.02 0.07 -0.00 0.00 0.00 178.44 178.85 1p1a h LYS 63 N 0.00 0.00 0.00 1.13 -0.00 -1.63 -2.66 116.57 113.41 1p1a h LYS 63 Ca 0.40 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.97 1p1a h LYS 63 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.83 1p1a h LYS 63 CO -0.85 0.02 -0.36 0.93 -0.00 0.00 0.00 179.45 179.20 1p1a h GLU 64 N 0.00 0.00 0.00 0.07 5.08 -1.62 -2.25 114.58 115.86 1p1a h GLU 64 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p1a h GLU 64 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1p1a h GLU 64 CO 0.00 0.36 0.00 0.66 -1.00 0.00 0.00 179.01 179.03 1p1a n TYR 65 N -3.26 0.89 -3.30 4.33 4.01 -1.01 -4.95 117.16 113.88 1p1a n TYR 65 Ca 0.02 0.30 -0.17 0.00 -0.16 0.00 0.00 57.90 57.88 1p1a n TYR 65 Cb 0.62 -0.98 0.06 0.00 -0.31 0.00 0.00 39.34 38.73 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 -2.27 -5.94 -2.26 -0.72 5.02 -0.85 -5.00 118.16 106.15 1p1a n LYS 66 Ca 0.04 0.64 -0.38 0.00 -2.02 0.00 0.00 58.31 56.59 1p1a n LYS 66 Cb 0.34 -5.09 -0.01 0.00 -0.02 0.00 0.00 35.03 30.25 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 -3.25 3.08 0.01 -0.18 1.01 -1.26 -5.06 121.20 115.55 1p1a s ILE 67 Ca 0.37 0.87 0.07 0.00 0.00 0.00 0.00 60.65 61.96 1p1a s ILE 67 Cb -0.16 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1p1a s ILE 67 CO 0.56 0.05 -0.22 -0.62 0.00 0.00 0.00 174.94 174.71 1p1a s ASP 68 N -1.19 2.56 0.34 3.58 -1.08 -1.26 -4.98 116.67 114.63 1p1a s ASP 68 Ca 0.60 -0.44 0.24 0.00 -0.52 0.00 0.00 52.55 52.43 1p1a s ASP 68 Cb -0.30 -0.26 1.24 0.00 -1.46 0.00 0.00 42.92 42.14 1p1a s ASP 68 CO 0.38 0.23 1.74 -0.33 0.52 0.00 0.00 175.17 177.71 1p1a h GLU 69 N 5.32 0.00 -0.01 4.34 5.08 -1.98 -1.58 114.58 125.75 1p1a h GLU 69 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1p1a h GLU 69 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1p1a h GLU 69 CO 0.46 0.00 -0.38 1.63 -1.00 0.00 0.00 179.01 179.72 1p1a n LYS 70 N -2.35 1.48 -3.02 2.33 4.76 -1.26 -4.78 118.16 115.31 1p1a n LYS 70 Ca -0.01 -0.96 -0.19 0.00 -2.87 0.00 0.00 58.31 54.28 1p1a n LYS 70 Cb 0.09 -1.38 0.05 0.00 -1.84 0.00 0.00 35.03 31.96 1p1a n LYS 70 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1p1a s ASN 71 N -2.15 5.22 0.20 4.39 0.01 -0.59 -5.10 114.94 116.92 1p1a s ASN 71 Ca 0.16 -0.75 0.02 0.00 -0.71 0.00 0.00 52.86 51.59 1p1a s ASN 71 Cb 0.16 0.08 -0.05 0.00 0.41 0.00 0.00 41.25 41.85 1p1a s ASN 71 CO 0.47 -1.22 0.01 0.72 -1.51 0.00 0.00 177.10 175.58 1p1a s PHE 72 N -2.60 1.36 0.08 2.20 -0.12 -1.26 -4.00 117.98 113.64 1p1a s PHE 72 Ca 0.60 -1.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.53 1p1a s PHE 72 Cb -0.07 -0.78 -0.03 0.00 -0.63 0.00 0.00 43.02 41.51 1p1a s PHE 72 CO 0.38 -0.18 -0.16 0.08 -0.05 0.00 0.00 175.22 175.29 1p1a s VAL 73 N -3.60 1.31 0.01 -2.49 1.01 0.09 -4.42 120.40 112.32 1p1a s VAL 73 Ca 0.27 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.89 1p1a s VAL 73 Cb 0.06 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1p1a s VAL 73 CO 0.07 -0.19 -0.13 -0.69 0.00 0.00 0.00 175.10 174.15 1p1a s VAL 74 N -1.31 3.16 -0.04 2.92 1.01 0.01 -0.50 120.40 125.64 1p1a s VAL 74 Ca 0.01 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1p1a s VAL 74 Cb -0.10 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1p1a s VAL 74 CO 0.03 0.39 -0.22 -0.69 0.00 0.00 0.00 175.10 174.61 1p1a s VAL 75 N -0.93 1.82 0.18 2.92 1.01 0.05 -0.65 120.40 124.80 1p1a s VAL 75 Ca 0.15 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1p1a s VAL 75 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1p1a s VAL 75 CO 0.06 0.51 -0.02 -0.32 0.00 0.00 0.00 175.10 175.33 1p1a s MET 76 N -0.25 1.14 -0.02 2.72 1.75 0.44 -3.48 119.30 121.59 1p1a s MET 76 Ca 0.01 -1.54 0.03 0.00 -1.25 0.00 0.00 55.69 52.94 1p1a s MET 76 Cb -0.11 -0.41 -0.00 0.00 2.84 0.00 0.00 34.83 37.14 1p1a s MET 76 CO 0.02 -0.08 -0.11 0.08 -0.65 0.00 0.00 175.02 174.27 1p1a s VAL 77 N -3.54 0.95 0.03 10.11 1.01 -1.26 -0.37 120.40 127.32 1p1a s VAL 77 Ca 0.23 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1p1a s VAL 77 Cb 0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1p1a s VAL 77 CO 0.04 0.28 -0.04 0.42 0.00 0.00 0.00 175.10 175.80 1p1a s THR 78 N -0.02 0.22 -1.39 3.92 -4.23 -0.54 -4.92 115.64 108.68 1p1a s THR 78 Ca -0.00 -0.96 -0.10 0.00 -1.18 0.00 0.00 61.69 59.45 1p1a s THR 78 Cb -0.07 -0.35 0.01 0.00 1.34 0.00 0.00 72.50 73.42 1p1a s THR 78 CO 0.00 -0.47 0.35 1.17 -0.54 0.00 0.00 174.62 175.13 1p1a n LYS 79 N 1.56 -1.47 -1.16 3.99 3.00 -1.26 -4.60 118.16 118.21 1p1a n LYS 79 Ca -0.24 0.21 -0.29 0.00 -0.00 0.00 0.00 58.31 57.99 1p1a n LYS 79 Cb 0.55 -3.66 0.21 0.00 0.00 0.00 0.00 35.03 32.12 1p1a n LYS 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1p1a s PRO 80 N -7.02 -0.42 -0.60 1.64 0.04 -1.26 -4.85 135.00 122.53 1p1a s PRO 80 Ca 0.16 0.17 -0.05 0.00 0.04 0.00 0.00 61.00 61.32 1p1a s PRO 80 Cb -0.08 -1.67 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 1p1a s PRO 80 CO 0.95 -3.22 2.36 1.17 0.04 0.00 0.00 177.00 178.29 1p1a n LYS 81 N -4.46 1.91 -2.01 4.56 3.00 -1.26 -4.91 118.16 114.99 1p1a n LYS 81 Ca 0.09 -1.19 -0.38 0.00 -0.00 0.00 0.00 58.31 56.84 1p1a n LYS 81 Cb 0.59 -2.22 -0.03 0.00 0.00 0.00 0.00 35.03 33.37 1p1a n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p1a s ALA 82 N 2.57 2.11 0.00 3.14 0.00 -1.26 -4.74 121.76 123.58 1p1a s ALA 82 Ca 0.44 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1p1a s ALA 82 Cb 0.15 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1p1a s ALA 82 CO -0.02 -3.97 0.38 1.33 0.00 0.00 0.00 175.76 173.48 1p1a n VAL 83 N 7.29 0.15 -4.17 0.00 0.24 -1.26 -5.07 118.33 115.50 1p1a n VAL 83 Ca 0.22 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.34 62.07 1p1a n VAL 83 Cb 0.52 1.30 -0.12 0.00 -1.47 0.00 0.00 33.84 34.08 1p1a n VAL 83 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1p1a s SER 84 N -0.15 1.67 0.00 -1.34 0.01 -1.26 -5.36 113.70 107.28 1p1a s SER 84 Ca 0.00 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1p1a s SER 84 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1p1a s SER 84 CO 0.00 -0.09 0.00 0.35 0.41 0.00 0.00 173.24 173.91