#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 1.10 -4.45 1.61 7.64 -1.26 -5.14 113.62 113.11 1p1a n SER 2 Ca 0.00 -2.05 -0.40 0.00 1.01 0.00 0.00 58.87 57.43 1p1a n SER 2 Cb 0.00 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 62.92 1p1a n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1p1a n HIS 3 N -0.69 -0.67 -4.21 1.43 -0.00 -1.26 -4.38 115.22 105.43 1p1a n HIS 3 Ca 0.03 0.52 -0.15 0.00 -0.00 0.00 0.00 57.72 58.12 1p1a n HIS 3 Cb 0.82 -1.97 -0.11 0.00 -0.00 0.00 0.00 29.99 28.74 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 -1.77 0.95 0.07 -0.41 0.00 -0.42 -4.93 119.30 112.78 1p1a s MET 4 Ca 0.65 -1.27 0.00 0.00 0.00 0.00 0.00 55.69 55.07 1p1a s MET 4 Cb -0.53 -0.62 -0.04 0.00 0.00 0.00 0.00 34.83 33.64 1p1a s MET 4 CO 0.57 0.09 0.22 1.14 0.00 0.00 0.00 175.02 177.05 1p1a s GLN 5 N -3.10 3.45 0.03 3.16 -2.07 -1.26 -1.76 119.66 118.11 1p1a s GLN 5 Ca 0.10 -0.44 0.03 0.00 -1.82 0.00 0.00 55.36 53.23 1p1a s GLN 5 Cb -0.01 -3.03 -0.02 0.00 -1.09 0.00 0.00 33.01 28.86 1p1a s GLN 5 CO 0.01 0.60 -0.09 0.08 -1.32 0.00 0.00 175.29 174.56 1p1a s VAL 6 N -1.54 0.68 -0.23 3.63 1.01 0.05 -4.15 120.40 119.86 1p1a s VAL 6 Ca 0.35 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1p1a s VAL 6 Cb -0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1p1a s VAL 6 CO 0.28 -0.14 0.15 -0.89 0.00 0.00 0.00 175.10 174.50 1p1a s THR 7 N -0.89 5.37 -0.15 3.92 2.01 -1.25 -2.21 115.64 122.44 1p1a s THR 7 Ca -0.03 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1p1a s THR 7 Cb -0.07 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1p1a s THR 7 CO 0.01 0.37 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.36 1p1a s LEU 8 N 0.84 1.99 0.37 4.42 1.43 0.66 -1.02 118.68 127.36 1p1a s LEU 8 Ca 0.08 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1p1a s LEU 8 Cb -0.13 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1p1a s LEU 8 CO 0.02 0.02 0.52 -0.54 0.23 0.00 0.00 176.35 176.60 1p1a s LYS 9 N 1.15 3.03 0.06 1.70 1.02 0.58 -1.17 119.74 126.10 1p1a s LYS 9 Ca -0.00 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 54.97 1p1a s LYS 9 Cb -0.14 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1p1a s LYS 9 CO -0.08 -0.06 -0.05 0.95 -0.92 0.00 0.00 175.35 175.19 1p1a s THR 10 N -2.26 0.41 0.62 2.17 -4.23 -1.10 -0.62 115.64 110.63 1p1a s THR 10 Ca 0.48 -1.55 0.34 0.00 -1.18 0.00 0.00 61.69 59.78 1p1a s THR 10 Cb -0.10 -1.17 0.38 0.00 1.34 0.00 0.00 72.50 72.96 1p1a s THR 10 CO 0.32 -0.75 2.25 0.17 -0.54 0.00 0.00 174.62 176.07 1p1a h LEU 11 N 3.62 0.00 -0.08 4.79 -0.00 -1.78 -0.51 115.31 121.36 1p1a h LEU 11 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1p1a h LEU 11 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1p1a h LEU 11 CO 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.00 1p1a n GLN 12 N -3.58 1.05 -3.44 0.17 6.02 -1.26 -4.94 117.38 111.41 1p1a n GLN 12 Ca -0.02 -0.08 -0.19 0.00 -0.01 0.00 0.00 57.00 56.70 1p1a n GLN 12 Cb 0.13 -1.07 0.08 0.00 1.02 0.00 0.00 30.24 30.40 1p1a n GLN 12 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1p1a n GLN 13 N -0.49 -6.88 -4.66 -1.09 6.02 -0.20 -5.04 117.38 105.05 1p1a n GLN 13 Ca 0.03 0.81 -0.30 0.00 -0.01 0.00 0.00 57.00 57.53 1p1a n GLN 13 Cb 0.03 -5.73 -0.09 0.00 1.02 0.00 0.00 30.24 25.46 1p1a n GLN 13 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1p1a s GLN 14 N -5.69 2.07 0.00 -1.09 -1.52 -1.26 -4.97 119.66 107.21 1p1a s GLN 14 Ca 0.23 -2.23 -0.01 0.00 -1.95 0.00 0.00 55.36 51.40 1p1a s GLN 14 Cb -0.10 -1.61 -0.01 0.00 -0.22 0.00 0.00 33.01 31.08 1p1a s GLN 14 CO 0.70 -0.19 0.00 0.99 -0.25 0.00 0.00 175.29 176.54 1p1a s THR 15 N -2.78 0.04 0.23 -0.19 2.01 -1.26 -2.72 115.64 110.97 1p1a s THR 15 Ca 0.22 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 1p1a s THR 15 Cb 0.06 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 1p1a s THR 15 CO 0.12 -0.19 0.32 0.72 -0.69 0.00 0.00 174.62 174.90 1p1a s PHE 16 N -0.55 0.76 -0.03 4.92 -0.71 -0.32 -4.99 117.98 117.07 1p1a s PHE 16 Ca -0.06 -1.05 0.02 0.00 -1.04 0.00 0.00 56.93 54.79 1p1a s PHE 16 Cb -0.04 -0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.61 1p1a s PHE 16 CO -0.00 -0.84 -0.06 0.15 -1.34 0.00 0.00 175.22 173.13 1p1a s LYS 17 N -4.04 0.73 0.24 1.99 1.02 -1.26 -0.25 119.74 118.18 1p1a s LYS 17 Ca 0.30 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.13 1p1a s LYS 17 Cb 0.03 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.58 1p1a s LYS 17 CO 0.11 0.03 0.19 0.96 -0.92 0.00 0.00 175.35 175.72 1p1a s ILE 18 N 0.42 0.00 -0.01 2.17 -5.25 -0.94 -4.99 121.20 112.60 1p1a s ILE 18 Ca -0.06 -1.97 -0.00 0.00 -0.99 0.00 0.00 60.65 57.63 1p1a s ILE 18 Cb -0.09 -2.49 0.01 0.00 2.95 0.00 0.00 42.46 42.83 1p1a s ILE 18 CO 0.00 0.00 0.02 1.51 -1.79 0.00 0.00 174.94 174.68 1p1a s ASP 19 N -3.21 0.00 0.19 4.36 -4.77 -1.26 -0.77 116.67 111.21 1p1a s ASP 19 Ca 0.39 0.03 -0.06 0.00 -3.30 0.00 0.00 52.55 49.60 1p1a s ASP 19 Cb 0.05 0.01 -0.02 0.00 -1.09 0.00 0.00 42.92 41.87 1p1a s ASP 19 CO 0.16 -0.03 0.26 0.27 0.70 0.00 0.00 175.17 176.53 1p1a s ILE 20 N 0.25 0.04 0.10 2.11 -0.00 -0.72 -4.95 121.20 118.02 1p1a s ILE 20 Ca -0.02 -1.64 -0.31 0.00 -0.00 0.00 0.00 60.65 58.68 1p1a s ILE 20 Cb -0.03 -2.15 -0.07 0.00 -0.00 0.00 0.00 42.46 40.21 1p1a s ILE 20 CO -0.01 -0.16 1.29 -0.62 -0.00 0.00 0.00 174.94 175.44 1p1a s ASP 21 N -3.05 6.96 0.56 4.36 -1.08 -1.26 -1.30 116.67 121.85 1p1a s ASP 21 Ca 0.26 2.19 0.28 0.00 -0.52 0.00 0.00 52.55 54.76 1p1a s ASP 21 Cb 0.04 -2.59 1.47 0.00 -1.46 0.00 0.00 42.92 40.38 1p1a s ASP 21 CO 0.06 -0.55 1.94 -0.65 0.52 0.00 0.00 175.17 176.49 1p1a h PRO 22 N 6.59 0.00 -0.00 4.34 0.11 -1.91 -1.80 132.00 139.33 1p1a h PRO 22 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1p1a h PRO 22 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p1a h PRO 22 CO 0.83 0.00 -0.26 0.39 -0.21 0.00 0.00 178.00 178.75 1p1a n GLU 23 N -4.06 0.09 -2.50 1.05 -0.58 -1.26 -1.18 120.64 112.20 1p1a n GLU 23 Ca 0.11 -0.04 -0.33 0.00 -0.42 0.00 0.00 57.16 56.48 1p1a n GLU 23 Cb 0.70 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.04 1p1a n GLU 23 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1p1a s GLU 24 N -2.93 3.88 0.78 3.49 0.41 -0.68 -4.73 118.70 118.92 1p1a s GLU 24 Ca 0.14 1.16 -0.11 0.00 -0.41 0.00 0.00 54.97 55.75 1p1a s GLU 24 Cb 0.18 -2.12 0.06 0.00 -1.78 0.00 0.00 34.13 30.48 1p1a s GLU 24 CO 0.61 -0.34 1.09 0.95 -0.49 0.00 0.00 175.26 177.08 1p1a s THR 25 N -2.28 3.17 0.56 3.63 -4.23 -1.26 -1.16 115.64 114.07 1p1a s THR 25 Ca 0.63 0.38 0.24 0.00 -1.18 0.00 0.00 61.69 61.76 1p1a s THR 25 Cb -0.13 -3.14 0.32 0.00 1.34 0.00 0.00 72.50 70.90 1p1a s THR 25 CO 0.24 -0.49 2.20 0.58 -0.54 0.00 0.00 174.62 176.60 1p1a h VAL 26 N -1.03 0.73 -0.96 2.29 2.07 -1.49 -1.44 116.25 116.41 1p1a h VAL 26 Ca -0.47 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.27 1p1a h VAL 26 Cb 1.26 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 1p1a h VAL 26 CO 0.59 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.91 1p1a h LYS 27 N 0.00 0.48 -0.05 1.57 1.57 -1.80 0.88 116.57 119.22 1p1a h LYS 27 Ca 0.01 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1p1a h LYS 27 Cb 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1p1a h LYS 27 CO -0.00 0.32 -0.12 0.00 -0.57 0.00 0.00 179.45 179.07 1p1a h ALA 28 N 1.62 0.08 -0.52 3.86 0.00 -1.59 0.74 119.26 123.45 1p1a h ALA 28 Ca 0.53 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1p1a h ALA 28 Cb 1.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1p1a h ALA 28 CO -0.25 -0.02 0.35 1.25 0.00 0.00 0.00 179.25 180.57 1p1a h LEU 29 N -0.35 0.53 0.18 0.00 7.12 -1.56 -2.20 115.31 119.04 1p1a h LEU 29 Ca -0.00 -0.01 -0.31 0.00 0.13 0.00 0.00 57.88 57.69 1p1a h LEU 29 Cb 0.72 -0.13 0.02 0.00 -0.53 0.00 0.00 40.66 40.74 1p1a h LEU 29 CO 0.03 0.37 -1.41 0.50 -0.13 0.00 0.00 178.44 177.80 1p1a h LYS 30 N 0.62 0.38 -0.36 1.25 3.11 -0.81 -3.35 116.57 117.41 1p1a h LYS 30 Ca 0.21 -0.66 -0.13 0.00 -2.81 0.00 0.00 60.65 57.26 1p1a h LYS 30 Cb 0.05 0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1p1a h LYS 30 CO -0.05 1.30 -0.29 1.05 -2.81 0.00 0.00 179.45 178.65 1p1a h GLU 31 N 0.10 0.77 0.00 1.90 4.11 -0.71 -3.31 114.58 117.45 1p1a h GLU 31 Ca -0.21 -0.34 -0.04 0.00 0.07 0.00 0.00 59.36 58.84 1p1a h GLU 31 Cb 2.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1p1a h GLU 31 CO 0.23 0.96 -0.18 1.57 0.07 0.00 0.00 179.01 181.66 1p1a h LYS 32 N 0.66 0.00 0.00 1.06 5.09 -1.53 -2.79 116.57 119.06 1p1a h LYS 32 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.62 1p1a h LYS 32 Cb 0.82 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.12 1p1a h LYS 32 CO 0.07 0.18 -0.97 -0.84 -2.09 0.00 0.00 179.45 175.80 1p1a h ILE 33 N 0.00 1.60 -0.36 0.07 -0.00 -1.71 -3.26 117.51 113.85 1p1a h ILE 33 Ca -0.00 -3.27 0.02 0.00 -0.00 0.00 0.00 64.86 61.60 1p1a h ILE 33 Cb 0.52 2.79 -0.02 0.00 -0.00 0.00 0.00 36.82 40.11 1p1a h ILE 33 CO 0.02 0.91 0.24 -0.08 -0.00 0.00 0.00 178.15 179.24 1p1a h GLU 34 N 0.00 0.43 0.00 0.16 4.81 -1.62 -0.39 114.58 117.97 1p1a h GLU 34 Ca -0.02 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1p1a h GLU 34 Cb 1.73 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 1p1a h GLU 34 CO 0.12 0.28 -0.02 0.77 -0.73 0.00 0.00 179.01 179.44 1p1a h SER 35 N 0.44 0.00 0.00 1.04 0.02 -1.61 -1.33 113.55 112.11 1p1a h SER 35 Ca 0.14 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.67 1p1a h SER 35 Cb 0.02 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 1p1a h SER 35 CO -0.03 0.02 -2.49 -0.62 -1.14 0.00 0.00 176.83 172.57 1p1a n GLU 36 N -3.28 0.61 -0.00 3.45 1.02 -0.48 -4.77 120.64 117.19 1p1a n GLU 36 Ca -0.02 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1p1a n GLU 36 Cb 0.14 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.91 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 -3.65 0.47 0.00 3.49 4.76 -0.28 -5.09 118.16 117.86 1p1a n LYS 37 Ca -0.49 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 1p1a n LYS 37 Cb 0.94 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 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 1.33 -1.98 0.31 0.72 0.00 -0.51 -4.49 105.19 100.58 1p1a n GLY 38 Ca -0.02 -1.28 0.19 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.77 -1.35 116.57 120.14 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 0.02 0.00 -0.25 -2.09 0.00 0.00 179.45 177.13 1p1a n ASP 40 N -3.29 0.00 0.00 7.07 8.00 -1.26 -2.37 116.55 124.70 1p1a n ASP 40 Ca -0.02 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1p1a n ASP 40 Cb 0.14 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1p1a n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p1a n ALA 41 N -1.25 1.68 -3.24 2.24 0.00 -0.83 -4.94 120.51 114.17 1p1a n ALA 41 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.32 1p1a n ALA 41 Cb 0.18 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.51 -0.59 -2.03 0.00 3.01 -0.57 -5.02 117.46 110.75 1p1a n PHE 42 Ca 0.00 -3.45 -0.42 0.00 1.01 0.00 0.00 57.45 54.59 1p1a n PHE 42 Cb 0.31 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 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 -0.79 4.23 0.37 -1.08 0.04 -1.00 -4.43 135.00 132.35 1p1a s PRO 43 Ca 0.34 2.21 0.09 0.00 0.04 0.00 0.00 61.00 63.68 1p1a s PRO 43 Cb 0.13 -3.58 0.84 0.00 0.04 0.00 0.00 34.50 31.93 1p1a s PRO 43 CO -0.14 -0.68 1.92 0.28 0.04 0.00 0.00 177.00 178.42 1p1a h VAL 44 N 4.83 0.90 0.00 -0.36 2.07 -1.91 0.10 116.25 121.89 1p1a h VAL 44 Ca -0.41 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1p1a h VAL 44 Cb 1.19 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1p1a h VAL 44 CO 0.92 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.63 1p1a n ALA 45 N -2.46 1.86 -0.02 1.67 0.00 -1.26 -4.01 120.51 116.28 1p1a n ALA 45 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1p1a n ALA 45 Cb 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.03 0.29 3.81 0.00 0.00 -0.39 -4.60 105.19 104.27 1p1a n GLY 46 Ca 0.07 0.00 -0.34 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 4.17 0.06 1.61 -2.07 0.21 -2.81 119.66 120.82 1p1a s GLN 47 Ca 0.00 1.21 -0.01 0.00 -1.82 0.00 0.00 55.36 54.74 1p1a s GLN 47 Cb 0.00 -2.23 -0.04 0.00 -1.09 0.00 0.00 33.01 29.65 1p1a s GLN 47 CO 0.00 -0.09 -0.02 0.21 -1.32 0.00 0.00 175.29 174.06 1p1a s LYS 48 N -3.06 0.63 0.06 9.60 2.20 0.07 -4.96 119.74 124.28 1p1a s LYS 48 Ca 0.62 -1.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1p1a s LYS 48 Cb -0.12 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 1p1a s LYS 48 CO 0.16 -0.12 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.44 1p1a s LEU 49 N -2.93 2.34 -0.02 5.43 1.02 -1.26 -0.53 118.68 122.73 1p1a s LEU 49 Ca 0.08 -0.70 0.01 0.00 0.02 0.00 0.00 54.13 53.55 1p1a s LEU 49 Cb 0.08 -0.14 0.01 0.00 0.02 0.00 0.00 46.19 46.16 1p1a s LEU 49 CO -0.09 -0.29 -0.05 -0.63 0.02 0.00 0.00 176.35 175.31 1p1a s ILE 50 N -2.11 0.47 -0.86 -0.59 -1.09 0.00 -3.13 121.20 113.89 1p1a s ILE 50 Ca -0.03 -0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.17 1p1a s ILE 50 Cb -0.05 -0.45 0.22 0.00 -1.58 0.00 0.00 42.46 40.59 1p1a s ILE 50 CO -0.01 0.17 0.76 -0.47 -1.23 0.00 0.00 174.94 174.16 1p1a s TYR 51 N 0.42 3.82 -1.03 3.97 5.04 -0.56 -0.48 117.35 128.54 1p1a s TYR 51 Ca -0.05 -2.72 0.00 0.00 -2.44 0.00 0.00 57.07 51.86 1p1a s TYR 51 Cb -0.09 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.78 1p1a s TYR 51 CO -0.00 -0.84 0.00 0.00 -1.34 0.00 0.00 175.55 173.36 1p1a n ALA 52 N 2.95 -0.40 0.00 3.97 0.00 -1.26 -1.90 120.51 123.87 1p1a n ALA 52 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1p1a n ALA 52 Cb 0.39 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.40 0.77 3.90 0.00 0.00 -1.26 -5.14 105.19 103.05 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 3.45 -0.38 1.61 1.02 -0.80 -5.09 119.74 119.56 1p1a s LYS 54 Ca 0.00 -0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.58 1p1a s LYS 54 Cb 0.00 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1p1a s LYS 54 CO 0.00 0.69 0.31 0.42 -0.92 0.00 0.00 175.35 175.85 1p1a s ILE 55 N -1.26 5.23 -0.87 2.17 1.09 -1.26 -1.49 121.20 124.81 1p1a s ILE 55 Ca 0.25 -0.37 -0.25 0.00 -1.10 0.00 0.00 60.65 59.18 1p1a s ILE 55 Cb -0.13 -3.86 0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1p1a s ILE 55 CO 0.16 -0.20 1.56 -0.76 -0.10 0.00 0.00 174.94 175.60 1p1a s LEU 56 N 1.80 3.31 0.18 2.97 1.43 -1.18 -4.97 118.68 122.22 1p1a s LEU 56 Ca 0.07 -0.79 -0.32 0.00 -1.03 0.00 0.00 54.13 52.06 1p1a s LEU 56 Cb -0.18 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.38 1p1a s LEU 56 CO 0.11 -1.96 1.59 0.21 0.23 0.00 0.00 176.35 176.53 1p1a s ASN 57 N 5.68 6.55 0.51 2.29 2.47 -1.26 -4.75 114.94 126.42 1p1a s ASN 57 Ca 0.51 2.67 0.20 0.00 0.42 0.00 0.00 52.86 56.66 1p1a s ASN 57 Cb -0.05 -2.60 1.30 0.00 -1.45 0.00 0.00 41.25 38.45 1p1a s ASN 57 CO 0.03 -0.85 2.05 -2.24 -3.72 0.00 0.00 177.10 172.36 1p1a h ASP 58 N 6.74 0.06 -0.38 -4.21 2.03 -1.95 -2.70 116.42 116.01 1p1a h ASP 58 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1p1a h ASP 58 Cb 1.20 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1p1a h ASP 58 CO 0.92 0.04 0.00 -0.67 -1.03 0.00 0.00 179.24 178.49 1p1a n ASP 59 N -4.45 3.22 -4.38 4.15 2.03 -1.26 -2.58 116.55 113.28 1p1a n ASP 59 Ca 0.05 -2.15 -0.31 0.00 0.52 0.00 0.00 54.79 52.90 1p1a n ASP 59 Cb 0.40 -0.31 -0.14 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.27 2.44 0.39 5.18 2.01 -1.02 -4.95 115.64 118.42 1p1a s THR 60 Ca 0.29 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 60.95 1p1a s THR 60 Cb 0.17 -1.93 -0.09 0.00 0.01 0.00 0.00 72.50 70.67 1p1a s THR 60 CO 0.17 0.50 1.20 0.00 -0.69 0.00 0.00 174.62 175.79 1p1a s ALA 61 N -0.73 3.21 0.31 7.40 0.00 -1.26 -2.85 121.76 127.83 1p1a s ALA 61 Ca 0.11 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.17 1p1a s ALA 61 Cb -0.10 -3.40 0.83 0.00 0.00 0.00 0.00 23.12 20.45 1p1a s ALA 61 CO 0.01 -0.56 1.70 -0.07 0.00 0.00 0.00 175.76 176.84 1p1a h LEU 62 N 2.76 0.47 -1.87 0.00 -0.00 -0.96 -1.66 115.31 114.05 1p1a h LEU 62 Ca -0.49 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.53 1p1a h LEU 62 Cb 1.23 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1p1a h LEU 62 CO 0.63 0.02 -0.09 0.07 -0.00 0.00 0.00 178.44 179.07 1p1a h LYS 63 N 0.45 0.00 0.00 1.13 -0.00 -1.45 -3.13 116.57 113.57 1p1a h LYS 63 Ca 0.61 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 61.20 1p1a h LYS 63 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.42 1p1a h LYS 63 CO -0.52 0.09 -0.29 1.49 -0.00 0.00 0.00 179.45 180.21 1p1a h GLU 64 N 0.00 0.00 -0.00 0.07 4.57 -1.59 -1.92 114.58 115.71 1p1a h GLU 64 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1p1a h GLU 64 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1p1a h GLU 64 CO 0.01 0.29 -0.15 0.66 -1.18 0.00 0.00 179.01 178.64 1p1a n TYR 65 N -3.81 0.00 -3.83 0.92 4.01 -1.18 -4.97 117.16 108.31 1p1a n TYR 65 Ca -0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 1p1a n TYR 65 Cb 0.38 -0.28 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.21 -4.51 -2.09 -0.72 4.76 -0.72 -4.98 118.16 108.69 1p1a n LYS 66 Ca 0.11 0.55 -0.37 0.00 -2.87 0.00 0.00 58.31 55.72 1p1a n LYS 66 Cb 0.30 -5.05 0.01 0.00 -1.84 0.00 0.00 35.03 28.45 1p1a n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p1a s ILE 67 N -3.67 2.74 0.01 -0.18 1.01 -1.26 -5.05 121.20 114.79 1p1a s ILE 67 Ca 0.14 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.41 1p1a s ILE 67 Cb -0.07 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1p1a s ILE 67 CO 0.84 -0.01 -0.20 -0.62 0.00 0.00 0.00 174.94 174.95 1p1a s ASP 68 N -1.22 2.33 0.10 3.58 -1.08 -1.26 -5.02 116.67 114.09 1p1a s ASP 68 Ca 0.67 -0.42 0.14 0.00 -0.52 0.00 0.00 52.55 52.42 1p1a s ASP 68 Cb -0.33 -0.23 0.61 0.00 -1.46 0.00 0.00 42.92 41.51 1p1a s ASP 68 CO 0.39 0.20 1.43 -0.62 0.52 0.00 0.00 175.17 177.09 1p1a n GLU 69 N 2.30 0.06 -0.00 4.34 1.02 -1.26 -1.91 120.64 125.19 1p1a n GLU 69 Ca -0.16 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1p1a n GLU 69 Cb 0.53 -1.64 0.01 0.00 -0.02 0.00 0.00 31.44 30.32 1p1a n GLU 69 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1p1a n LYS 70 N -1.75 1.49 -2.97 3.49 -0.00 -1.26 -4.74 118.16 112.42 1p1a n LYS 70 Ca 0.02 -1.14 -0.19 0.00 -0.00 0.00 0.00 58.31 56.99 1p1a n LYS 70 Cb 0.12 -1.01 0.05 0.00 -0.00 0.00 0.00 35.03 34.19 1p1a n LYS 70 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1p1a s ASN 71 N -0.63 5.23 0.11 -5.58 0.01 -0.80 -5.07 114.94 108.20 1p1a s ASN 71 Ca 0.01 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.54 1p1a s ASN 71 Cb 0.00 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.54 1p1a s ASN 71 CO 0.01 -1.19 -0.06 0.72 -1.51 0.00 0.00 177.10 175.07 1p1a s PHE 72 N -2.61 0.92 0.12 2.20 -0.12 -1.26 -3.82 117.98 113.41 1p1a s PHE 72 Ca 0.60 -0.93 0.09 0.00 -0.05 0.00 0.00 56.93 56.64 1p1a s PHE 72 Cb -0.07 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.75 1p1a s PHE 72 CO 0.37 -0.16 -0.23 0.08 -0.05 0.00 0.00 175.22 175.23 1p1a s VAL 73 N -3.64 1.91 -0.14 -2.49 1.01 -0.19 -4.43 120.40 112.44 1p1a s VAL 73 Ca 0.13 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.47 1p1a s VAL 73 Cb 0.05 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1p1a s VAL 73 CO -0.04 -0.03 -0.16 -0.69 0.00 0.00 0.00 175.10 174.18 1p1a s VAL 74 N -1.19 2.68 -0.13 2.92 1.01 0.37 -0.31 120.40 125.76 1p1a s VAL 74 Ca 0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1p1a s VAL 74 Cb -0.10 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1p1a s VAL 74 CO 0.05 0.53 0.15 -0.69 0.00 0.00 0.00 175.10 175.14 1p1a s VAL 75 N 0.59 5.47 0.13 2.92 1.01 0.21 -0.82 120.40 129.91 1p1a s VAL 75 Ca -0.09 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1p1a s VAL 75 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1p1a s VAL 75 CO 0.03 0.59 -0.12 -0.04 0.00 0.00 0.00 175.10 175.57 1p1a s MET 76 N -0.82 1.00 0.00 2.72 -1.94 0.32 -2.01 119.30 118.56 1p1a s MET 76 Ca 0.14 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 1p1a s MET 76 Cb -0.12 -0.72 -0.00 0.00 2.01 0.00 0.00 34.83 36.00 1p1a s MET 76 CO 0.04 0.12 -0.00 0.08 -0.01 0.00 0.00 175.02 175.24 1p1a s VAL 77 N -2.65 0.02 0.02 -6.03 1.01 -1.26 -0.75 120.40 110.75 1p1a s VAL 77 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1p1a s VAL 77 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.31 1p1a s VAL 77 CO 0.02 -0.04 -0.00 0.28 0.00 0.00 0.00 175.10 175.35 1p1a s THR 78 N -0.12 0.11 0.25 3.92 -1.32 -1.12 -5.01 115.64 112.35 1p1a s THR 78 Ca -0.01 -0.89 -0.30 0.00 -1.21 0.00 0.00 61.69 59.28 1p1a s THR 78 Cb -0.01 -0.31 -0.09 0.00 -1.51 0.00 0.00 72.50 70.58 1p1a s THR 78 CO -0.00 -0.49 1.18 -0.75 -2.21 0.00 0.00 174.62 172.34 1p1a s LYS 79 N -1.50 4.53 0.53 7.08 2.20 -1.26 -4.39 119.74 126.93 1p1a s LYS 79 Ca -0.15 1.91 0.22 0.00 -0.36 0.00 0.00 55.97 57.58 1p1a s LYS 79 Cb -0.09 -3.19 1.18 0.00 -1.51 0.00 0.00 37.83 34.22 1p1a s LYS 79 CO -0.01 0.02 1.62 -1.35 -0.36 0.00 0.00 175.35 175.28 1p1a h PRO 80 N 4.29 0.00 0.00 4.03 0.11 -1.91 -1.15 132.00 137.37 1p1a h PRO 80 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1p1a h PRO 80 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p1a h PRO 80 CO 0.70 0.00 -0.01 0.87 -0.21 0.00 0.00 178.00 179.34 1p1a h LYS 81 N 0.00 0.00 -6.18 1.05 1.57 -1.93 -3.41 116.57 107.67 1p1a h LYS 81 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1p1a h LYS 81 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1p1a h LYS 81 CO 0.00 0.01 1.31 0.00 -0.57 0.00 0.00 179.45 180.20 1p1a s ALA 82 N -4.14 2.66 0.00 3.86 0.00 -0.44 -4.82 121.76 118.89 1p1a s ALA 82 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1p1a s ALA 82 Cb 0.13 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1p1a s ALA 82 CO 0.47 -2.99 0.53 1.33 0.00 0.00 0.00 175.76 175.09 1p1a n VAL 83 N 7.39 0.26 -4.18 0.00 0.24 -1.26 -5.04 118.33 115.74 1p1a n VAL 83 Ca 0.23 -0.34 -0.19 0.00 -2.04 0.00 0.00 64.34 62.00 1p1a n VAL 83 Cb 0.48 1.08 -0.12 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.26 1.73 0.00 -1.34 0.01 -1.26 -5.30 113.70 107.28 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 -0.07 0.00 0.41 0.41 0.00 0.00 173.24 173.99