#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 0.29 -4.26 1.61 7.64 -1.26 -5.09 113.62 112.55 1p1a n SER 2 Ca 0.00 -1.63 -0.14 0.00 1.01 0.00 0.00 58.87 58.11 1p1a n SER 2 Cb 0.00 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 62.98 1p1a n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1p1a s HIS 3 N -0.25 1.28 0.12 1.43 0.09 -1.26 -4.45 115.29 112.25 1p1a s HIS 3 Ca 0.02 -1.07 0.06 0.00 -0.00 0.00 0.00 55.06 54.07 1p1a s HIS 3 Cb 0.02 -0.73 -0.04 0.00 -0.00 0.00 0.00 32.58 31.83 1p1a s HIS 3 CO 0.00 -0.26 -0.13 0.00 -0.00 0.00 0.00 174.74 174.35 1p1a s MET 4 N -3.95 1.02 0.01 1.40 0.00 -0.21 -4.87 119.30 112.69 1p1a s MET 4 Ca 0.27 -1.25 -0.02 0.00 0.00 0.00 0.00 55.69 54.69 1p1a s MET 4 Cb 0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 34.83 34.00 1p1a s MET 4 CO 0.06 0.16 0.20 -1.14 0.00 0.00 0.00 175.02 174.30 1p1a s GLN 5 N -2.77 3.45 0.00 3.16 -0.44 -1.26 -2.10 119.66 119.70 1p1a s GLN 5 Ca 0.09 -0.32 0.01 0.00 -2.50 0.00 0.00 55.36 52.64 1p1a s GLN 5 Cb -0.04 -3.08 -0.00 0.00 -1.64 0.00 0.00 33.01 28.25 1p1a s GLN 5 CO 0.03 0.66 -0.02 0.08 0.50 0.00 0.00 175.29 176.53 1p1a s VAL 6 N -1.37 0.15 -0.21 1.34 1.01 0.44 -4.21 120.40 117.55 1p1a s VAL 6 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1p1a s VAL 6 Cb -0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1p1a s VAL 6 CO 0.20 -0.00 0.14 -0.89 0.00 0.00 0.00 175.10 174.55 1p1a s THR 7 N -0.16 5.39 -0.15 3.92 2.01 -1.25 -1.34 115.64 124.06 1p1a s THR 7 Ca -0.01 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1p1a s THR 7 Cb -0.01 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 69.03 1p1a s THR 7 CO -0.00 0.41 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.37 1p1a s LEU 8 N 0.60 2.08 0.06 4.42 1.43 0.21 -1.71 118.68 125.76 1p1a s LEU 8 Ca 0.08 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1p1a s LEU 8 Cb -0.12 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1p1a s LEU 8 CO 0.00 0.05 0.22 -0.54 0.23 0.00 0.00 176.35 176.32 1p1a s LYS 9 N 0.95 3.46 0.41 1.70 1.02 -0.03 -1.04 119.74 126.21 1p1a s LYS 9 Ca -0.04 -0.38 0.07 0.00 0.02 0.00 0.00 55.97 55.64 1p1a s LYS 9 Cb -0.15 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1p1a s LYS 9 CO -0.05 0.61 0.56 0.95 -0.92 0.00 0.00 175.35 176.50 1p1a s THR 10 N -1.49 3.25 -2.00 2.17 -4.23 -0.33 -0.62 115.64 112.39 1p1a s THR 10 Ca 0.34 -0.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.97 1p1a s THR 10 Cb -0.13 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 70.89 1p1a s THR 10 CO 0.26 -0.04 1.05 0.00 -0.54 0.00 0.00 174.62 175.35 1p1a n LEU 11 N -1.82 0.00 -0.53 4.79 -0.00 -1.09 -3.74 117.00 114.60 1p1a n LEU 11 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.11 1p1a n LEU 11 Cb 0.59 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.08 1p1a n LEU 11 CO 0.40 0.00 0.33 1.67 -0.00 0.00 0.00 177.39 179.79 1p1a n GLN 12 N -0.77 0.56 -3.51 1.47 -0.06 -1.26 -5.03 117.38 108.78 1p1a n GLN 12 Ca 0.07 -1.89 -0.19 0.00 -2.00 0.00 0.00 57.00 53.00 1p1a n GLN 12 Cb 0.03 -0.85 0.07 0.00 -4.06 0.00 0.00 30.24 25.43 1p1a n GLN 12 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1p1a n GLN 13 N -0.48 -5.62 -4.02 3.69 3.00 -1.25 -5.03 117.38 107.66 1p1a n GLN 13 Ca 0.08 0.77 -0.09 0.00 -0.01 0.00 0.00 57.00 57.75 1p1a n GLN 13 Cb 0.75 -5.61 -0.11 0.00 0.00 0.00 0.00 30.24 25.27 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 -5.49 0.43 0.01 -1.09 0.74 -1.26 -5.01 119.66 107.98 1p1a s GLN 14 Ca 0.05 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.66 1p1a s GLN 14 Cb -0.01 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.18 1p1a s GLN 14 CO 0.76 -0.05 -0.05 0.99 -0.55 0.00 0.00 175.29 176.39 1p1a s THR 15 N -2.18 0.35 0.22 -0.34 2.01 -1.26 -1.19 115.64 113.25 1p1a s THR 15 Ca -0.08 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1p1a s THR 15 Cb -0.05 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 1p1a s THR 15 CO -0.03 -0.08 0.24 0.72 -0.69 0.00 0.00 174.62 174.78 1p1a s PHE 16 N -0.53 0.94 -0.13 4.92 -0.71 -0.21 -4.98 117.98 117.30 1p1a s PHE 16 Ca -0.03 -1.20 0.01 0.00 -1.04 0.00 0.00 56.93 54.67 1p1a s PHE 16 Cb -0.04 -0.34 0.02 0.00 -1.21 0.00 0.00 43.02 41.45 1p1a s PHE 16 CO -0.00 -0.76 -0.13 0.15 -1.34 0.00 0.00 175.22 173.14 1p1a s LYS 17 N -4.07 2.11 0.12 1.99 -0.14 -1.26 -0.62 119.74 117.86 1p1a s LYS 17 Ca 0.34 -0.49 0.06 0.00 -1.36 0.00 0.00 55.97 54.52 1p1a s LYS 17 Cb 0.04 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 1p1a s LYS 17 CO 0.12 -0.19 -0.15 0.42 -0.76 0.00 0.00 175.35 174.79 1p1a s ILE 18 N 1.37 1.36 -0.01 2.17 -1.09 -0.45 -5.01 121.20 119.54 1p1a s ILE 18 Ca 0.01 -1.65 -0.01 0.00 -2.23 0.00 0.00 60.65 56.77 1p1a s ILE 18 Cb -0.13 -1.48 0.01 0.00 -1.58 0.00 0.00 42.46 39.27 1p1a s ILE 18 CO -0.07 -0.35 0.03 1.51 -1.23 0.00 0.00 174.94 174.82 1p1a s ASP 19 N -2.31 0.00 0.22 3.58 -4.77 -1.26 -0.42 116.67 111.71 1p1a s ASP 19 Ca 0.07 0.05 -0.07 0.00 -3.30 0.00 0.00 52.55 49.31 1p1a s ASP 19 Cb -0.06 0.01 -0.02 0.00 -1.09 0.00 0.00 42.92 41.76 1p1a s ASP 19 CO 0.03 -0.05 0.30 0.27 0.70 0.00 0.00 175.17 176.42 1p1a s ILE 20 N 0.35 0.00 0.19 2.11 -0.00 -0.89 -4.96 121.20 118.00 1p1a s ILE 20 Ca -0.03 -1.72 -0.32 0.00 -0.00 0.00 0.00 60.65 58.58 1p1a s ILE 20 Cb -0.04 -2.36 -0.11 0.00 -0.00 0.00 0.00 42.46 39.95 1p1a s ILE 20 CO -0.01 0.00 1.65 -0.62 -0.00 0.00 0.00 174.94 175.96 1p1a s ASP 21 N -3.09 6.47 0.38 4.36 -1.08 -1.26 -1.04 116.67 121.40 1p1a s ASP 21 Ca 0.31 2.76 0.27 0.00 -0.52 0.00 0.00 52.55 55.37 1p1a s ASP 21 Cb 0.03 -2.60 1.29 0.00 -1.46 0.00 0.00 42.92 40.19 1p1a s ASP 21 CO 0.11 -0.90 1.82 1.55 0.52 0.00 0.00 175.17 178.27 1p1a h PRO 22 N 6.70 0.00 -0.06 4.34 0.13 -1.90 -2.77 132.00 138.43 1p1a h PRO 22 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1p1a h PRO 22 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p1a h PRO 22 CO 0.93 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 1p1a n GLU 23 N -2.48 1.42 -1.80 0.86 1.02 -1.26 -1.63 120.64 116.77 1p1a n GLU 23 Ca -0.00 -1.25 -0.30 0.00 -0.02 0.00 0.00 57.16 55.59 1p1a n GLU 23 Cb 0.15 -1.08 0.05 0.00 -0.02 0.00 0.00 31.44 30.54 1p1a n GLU 23 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1p1a s GLU 24 N -0.69 2.84 0.63 3.49 2.56 -1.05 -4.69 118.70 121.80 1p1a s GLU 24 Ca 0.06 0.57 -0.09 0.00 0.00 0.00 0.00 54.97 55.51 1p1a s GLU 24 Cb 0.03 -2.01 -0.00 0.00 2.00 0.00 0.00 34.13 34.15 1p1a s GLU 24 CO 0.05 -1.07 0.99 0.95 -0.56 0.00 0.00 175.26 175.62 1p1a s THR 25 N -3.28 3.89 0.56 -1.70 -4.23 -1.26 -1.19 115.64 108.42 1p1a s THR 25 Ca 0.58 0.37 0.26 0.00 -1.18 0.00 0.00 61.69 61.72 1p1a s THR 25 Cb -0.12 -3.57 0.37 0.00 1.34 0.00 0.00 72.50 70.51 1p1a s THR 25 CO 0.53 -0.69 2.05 0.58 -0.54 0.00 0.00 174.62 176.55 1p1a h VAL 26 N -0.36 0.64 -0.87 2.29 2.07 -1.58 -1.87 116.25 116.56 1p1a h VAL 26 Ca -0.45 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.26 1p1a h VAL 26 Cb 1.24 0.80 -0.11 0.00 -1.52 0.00 0.00 31.29 31.69 1p1a h VAL 26 CO 0.62 0.00 0.40 0.50 0.02 0.00 0.00 177.57 179.11 1p1a h LYS 27 N 0.00 0.46 -0.28 1.57 3.64 -1.80 0.13 116.57 120.29 1p1a h LYS 27 Ca 0.15 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1p1a h LYS 27 Cb 0.69 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1p1a h LYS 27 CO -0.00 0.30 0.05 0.00 -2.27 0.00 0.00 179.45 177.53 1p1a h ALA 28 N 1.66 0.37 -0.78 5.00 0.00 -1.66 0.12 119.26 123.96 1p1a h ALA 28 Ca 0.52 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1p1a h ALA 28 Cb 0.91 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1p1a h ALA 28 CO -0.47 0.06 0.30 1.25 0.00 0.00 0.00 179.25 180.39 1p1a h LEU 29 N 0.28 1.09 0.13 0.00 5.85 -1.54 -2.61 115.31 118.51 1p1a h LEU 29 Ca 0.09 -0.17 -0.28 0.00 0.84 0.00 0.00 57.88 58.35 1p1a h LEU 29 Cb 0.33 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1p1a h LEU 29 CO 0.00 0.97 -1.30 0.50 -0.34 0.00 0.00 178.44 178.28 1p1a h LYS 30 N 1.14 0.27 -0.46 1.25 3.11 -0.59 -3.29 116.57 118.00 1p1a h LYS 30 Ca 0.26 -0.46 -0.11 0.00 -2.81 0.00 0.00 60.65 57.54 1p1a h LYS 30 Cb 0.23 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 1p1a h LYS 30 CO -0.02 1.20 -0.13 0.93 -2.81 0.00 0.00 179.45 178.62 1p1a h GLU 31 N 0.07 0.89 -0.24 1.90 5.08 -0.83 -3.34 114.58 118.11 1p1a h GLU 31 Ca -0.15 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 1p1a h GLU 31 Cb 1.98 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1p1a h GLU 31 CO 0.20 1.00 -0.14 1.57 -1.00 0.00 0.00 179.01 180.63 1p1a h LYS 32 N 0.73 0.40 0.00 2.33 5.09 -1.53 -2.97 116.57 120.62 1p1a h LYS 32 Ca 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1p1a h LYS 32 Cb 0.68 -0.05 -0.00 0.00 0.10 0.00 0.00 32.23 32.96 1p1a h LYS 32 CO 0.05 0.55 -0.02 -0.84 -2.09 0.00 0.00 179.45 177.10 1p1a h ILE 33 N 0.38 0.04 -0.64 0.07 -0.00 -1.68 -2.35 117.51 113.32 1p1a h ILE 33 Ca 0.07 -0.78 0.09 0.00 -0.00 0.00 0.00 64.86 64.24 1p1a h ILE 33 Cb 0.48 1.75 -0.04 0.00 -0.00 0.00 0.00 36.82 39.01 1p1a h ILE 33 CO 0.03 0.02 0.43 -0.08 -0.00 0.00 0.00 178.15 178.54 1p1a h GLU 34 N 0.00 0.51 0.00 0.16 4.81 -1.68 -0.84 114.58 117.54 1p1a h GLU 34 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1p1a h GLU 34 Cb 0.75 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1p1a h GLU 34 CO 0.00 0.34 0.00 0.43 -0.73 0.00 0.00 179.01 179.05 1p1a n SER 35 N -4.48 0.63 -0.11 1.04 7.64 -0.88 -1.08 113.62 116.38 1p1a n SER 35 Ca 0.10 0.61 -0.17 0.00 1.01 0.00 0.00 58.87 60.42 1p1a n SER 35 Cb 0.32 -0.76 -0.13 0.00 -1.01 0.00 0.00 64.21 62.64 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 -2.15 0.66 -0.01 1.43 -0.58 -0.42 -4.66 120.64 114.91 1p1a n GLU 36 Ca 0.04 0.14 0.06 0.00 -0.42 0.00 0.00 57.16 56.99 1p1a n GLU 36 Cb 0.31 -1.54 -0.11 0.00 -0.57 0.00 0.00 31.44 29.54 1p1a n GLU 36 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1p1a n LYS 37 N -3.22 0.47 0.00 3.49 4.01 -0.60 -5.12 118.16 117.20 1p1a n LYS 37 Ca -0.43 -0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.25 1p1a n LYS 37 Cb 1.01 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 34.21 1p1a n LYS 37 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1p1a n GLY 38 N 1.74 2.54 0.42 0.72 0.00 -0.24 -4.53 105.19 105.84 1p1a n GLY 38 Ca -0.03 -1.68 0.23 0.00 0.00 0.00 0.00 46.02 44.54 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 0.35 0.00 1.61 1.63 -1.83 -0.63 116.57 117.69 1p1a h LYS 39 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1p1a h LYS 39 Cb 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1p1a h LYS 39 CO 0.00 0.23 0.00 -0.25 -3.45 0.00 0.00 179.45 175.98 1p1a n ASP 40 N -4.56 0.10 0.00 4.20 8.00 -1.26 -3.40 116.55 119.63 1p1a n ASP 40 Ca 0.24 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.27 1p1a n ASP 40 Cb 0.88 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.54 1.67 -3.19 2.24 0.00 -0.52 -4.94 120.51 114.23 1p1a n ALA 41 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1p1a n ALA 41 Cb 0.18 0.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 0.06 -1.94 0.00 3.72 -0.36 -4.93 117.46 112.49 1p1a n PHE 42 Ca 0.00 -3.73 -0.42 0.00 -0.05 0.00 0.00 57.45 53.25 1p1a n PHE 42 Cb 0.26 -0.40 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.00 4.22 0.51 -1.08 0.04 -1.22 -4.39 135.00 131.09 1p1a s PRO 43 Ca 0.38 2.37 0.22 0.00 0.04 0.00 0.00 61.00 64.02 1p1a s PRO 43 Cb 0.28 -3.11 1.32 0.00 0.04 0.00 0.00 34.50 33.04 1p1a s PRO 43 CO -0.09 -0.52 2.01 0.28 0.04 0.00 0.00 177.00 178.72 1p1a h VAL 44 N 3.67 0.79 0.00 -0.36 2.07 -1.90 0.94 116.25 121.45 1p1a h VAL 44 Ca -0.45 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1p1a h VAL 44 Cb 1.21 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1p1a h VAL 44 CO 0.83 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.43 1p1a n ALA 45 N -2.61 1.51 -0.57 1.67 0.00 -1.26 -4.19 120.51 115.06 1p1a n ALA 45 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1p1a n ALA 45 Cb 0.52 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.34 1.00 3.83 0.00 0.00 -0.30 -5.06 105.19 104.31 1p1a n GLY 46 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 0.05 1.61 -2.07 0.17 -1.59 119.66 121.99 1p1a s GLN 47 Ca 0.00 1.04 -0.01 0.00 -1.82 0.00 0.00 55.36 54.57 1p1a s GLN 47 Cb 0.00 -2.21 -0.04 0.00 -1.09 0.00 0.00 33.01 29.68 1p1a s GLN 47 CO 0.00 -0.04 -0.03 0.15 -1.32 0.00 0.00 175.29 174.05 1p1a s LYS 48 N -3.27 0.57 0.07 9.60 1.02 0.65 -4.96 119.74 123.41 1p1a s LYS 48 Ca 0.61 -1.13 0.06 0.00 0.02 0.00 0.00 55.97 55.53 1p1a s LYS 48 Cb -0.09 0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 1p1a s LYS 48 CO 0.16 -0.10 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.82 1p1a s LEU 49 N -2.69 2.24 -0.01 3.17 1.02 -1.26 -1.07 118.68 120.08 1p1a s LEU 49 Ca 0.03 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.62 1p1a s LEU 49 Cb 0.05 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 45.61 1p1a s LEU 49 CO -0.08 0.00 -0.04 -0.63 0.02 0.00 0.00 176.35 175.62 1p1a s ILE 50 N -1.09 0.36 -0.69 -0.59 -1.09 -0.39 -3.92 121.20 113.79 1p1a s ILE 50 Ca 0.02 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1p1a s ILE 50 Cb -0.09 -0.33 0.17 0.00 -1.58 0.00 0.00 42.46 40.63 1p1a s ILE 50 CO 0.02 0.12 0.50 -0.47 -1.23 0.00 0.00 174.94 173.88 1p1a s TYR 51 N 0.08 3.51 -1.18 3.97 5.04 -0.44 -0.58 117.35 127.76 1p1a s TYR 51 Ca -0.00 -3.02 0.00 0.00 -2.44 0.00 0.00 57.07 51.60 1p1a s TYR 51 Cb -0.04 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.24 1p1a s TYR 51 CO -0.00 -0.73 0.00 0.00 -1.34 0.00 0.00 175.55 173.48 1p1a n ALA 52 N 2.79 -0.47 0.00 3.97 0.00 -1.26 -1.71 120.51 123.82 1p1a n ALA 52 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1p1a n ALA 52 Cb 0.36 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.51 0.94 3.90 0.00 0.00 -1.26 -5.14 105.19 103.13 1p1a n GLY 53 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.40 1.61 3.01 -0.69 -5.09 119.74 121.63 1p1a s LYS 54 Ca 0.00 -0.25 -0.11 0.00 -1.01 0.00 0.00 55.97 54.60 1p1a s LYS 54 Cb 0.00 -3.13 0.04 0.00 -1.01 0.00 0.00 37.83 33.73 1p1a s LYS 54 CO 0.00 0.71 0.24 0.42 0.51 0.00 0.00 175.35 177.23 1p1a s ILE 55 N -1.23 4.64 0.54 2.17 1.01 -1.26 -1.33 121.20 125.74 1p1a s ILE 55 Ca 0.23 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 1p1a s ILE 55 Cb -0.12 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 1p1a s ILE 55 CO 0.14 -0.33 1.10 -0.76 0.00 0.00 0.00 174.94 175.09 1p1a s LEU 56 N 1.55 3.72 -0.07 2.97 2.01 -1.25 -5.04 118.68 122.56 1p1a s LEU 56 Ca 0.03 2.07 0.01 0.00 0.01 0.00 0.00 54.13 56.24 1p1a s LEU 56 Cb -0.20 -4.57 0.02 0.00 0.01 0.00 0.00 46.19 41.45 1p1a s LEU 56 CO 0.06 -1.14 -0.09 0.21 1.01 0.00 0.00 176.35 176.40 1p1a s ASN 57 N -1.98 1.68 0.62 2.29 2.47 -1.26 -4.86 114.94 113.89 1p1a s ASN 57 Ca 0.70 -0.25 0.31 0.00 0.42 0.00 0.00 52.86 54.04 1p1a s ASN 57 Cb -0.21 -0.73 1.73 0.00 -1.45 0.00 0.00 41.25 40.59 1p1a s ASN 57 CO 0.27 -0.03 2.06 0.44 -3.72 0.00 0.00 177.10 176.12 1p1a h ASP 58 N 7.38 0.00 -0.62 -4.21 5.19 -1.96 -1.97 116.42 120.23 1p1a h ASP 58 Ca -0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1p1a h ASP 58 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1p1a h ASP 58 CO 0.45 0.00 0.00 -0.67 -3.12 0.00 0.00 179.24 175.90 1p1a n ASP 59 N -3.48 3.69 -4.19 6.45 2.03 -1.26 -3.09 116.55 116.70 1p1a n ASP 59 Ca 0.01 -2.02 -0.28 0.00 0.52 0.00 0.00 54.79 53.02 1p1a n ASP 59 Cb 0.35 -0.42 -0.16 0.00 -0.72 0.00 0.00 41.12 40.17 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 -1.04 1.70 0.34 5.18 2.01 -0.74 -5.00 115.64 118.08 1p1a s THR 60 Ca 0.42 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1p1a s THR 60 Cb 0.22 -1.45 -0.11 0.00 0.01 0.00 0.00 72.50 71.18 1p1a s THR 60 CO 0.28 0.48 1.41 0.00 -0.69 0.00 0.00 174.62 176.10 1p1a s ALA 61 N -0.06 3.56 0.22 7.40 0.00 -1.26 -2.36 121.76 129.26 1p1a s ALA 61 Ca -0.04 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.23 1p1a s ALA 61 Cb -0.12 -3.55 0.33 0.00 0.00 0.00 0.00 23.12 19.78 1p1a s ALA 61 CO 0.03 -0.83 1.67 -0.07 0.00 0.00 0.00 175.76 176.56 1p1a h LEU 62 N 3.53 -0.21 -1.18 0.00 -0.00 -1.24 -2.13 115.31 114.08 1p1a h LEU 62 Ca -0.49 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1p1a h LEU 62 Cb 1.23 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.15 1p1a h LEU 62 CO 0.67 -0.10 0.00 2.29 -0.00 0.00 0.00 178.44 181.30 1p1a n LYS 63 N -5.26 0.16 0.25 1.13 0.00 -0.64 -1.32 118.16 112.48 1p1a n LYS 63 Ca 0.10 0.57 0.12 0.00 -0.00 0.00 0.00 58.31 59.10 1p1a n LYS 63 Cb 0.38 -1.92 0.65 0.00 -0.00 0.00 0.00 35.03 34.14 1p1a n LYS 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1p1a h GLU 64 N 0.00 0.00 -0.02 -1.58 4.39 -1.70 -2.61 114.58 113.07 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 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1p1a h GLU 64 CO 0.00 0.15 -0.19 0.66 -1.16 0.00 0.00 179.01 178.47 1p1a n TYR 65 N -3.57 0.00 -4.32 4.33 4.01 -0.43 -4.99 117.16 112.18 1p1a n TYR 65 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.35 1p1a n TYR 65 Cb 0.29 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.12 -2.17 -1.88 -0.72 5.02 -0.98 -4.90 118.16 112.65 1p1a n LYS 66 Ca 0.14 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 1p1a n LYS 66 Cb 0.43 -4.80 -0.02 0.00 -0.02 0.00 0.00 35.03 30.62 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 -3.42 2.36 -0.05 -0.18 1.01 -1.26 -4.99 121.20 114.67 1p1a s ILE 67 Ca 0.66 0.29 -0.00 0.00 0.00 0.00 0.00 60.65 61.60 1p1a s ILE 67 Cb -0.37 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1p1a s ILE 67 CO 0.97 0.04 -0.02 -0.62 0.00 0.00 0.00 174.94 175.31 1p1a s ASP 68 N 0.59 5.05 0.00 3.58 -1.08 -1.26 -5.02 116.67 118.53 1p1a s ASP 68 Ca 0.64 0.05 0.16 0.00 -0.52 0.00 0.00 52.55 52.87 1p1a s ASP 68 Cb -0.45 -1.35 0.83 0.00 -1.46 0.00 0.00 42.92 40.49 1p1a s ASP 68 CO 0.43 0.34 1.42 1.21 0.52 0.00 0.00 175.17 179.09 1p1a n GLU 69 N 1.89 0.30 -0.15 4.34 2.13 -1.26 -2.05 120.64 125.84 1p1a n GLU 69 Ca -0.17 0.10 0.01 0.00 0.66 0.00 0.00 57.16 57.77 1p1a n GLU 69 Cb 0.53 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.76 1p1a n GLU 69 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1p1a n LYS 70 N -1.21 0.78 -3.02 5.31 0.00 -1.26 -4.82 118.16 113.93 1p1a n LYS 70 Ca 0.09 -1.15 -0.20 0.00 -0.00 0.00 0.00 58.31 57.05 1p1a n LYS 70 Cb 0.11 -0.75 0.06 0.00 -0.00 0.00 0.00 35.03 34.45 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 -0.91 5.07 0.09 -5.58 0.01 -0.87 -5.09 114.94 107.66 1p1a s ASN 71 Ca 0.05 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.37 1p1a s ASN 71 Cb 0.04 0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 1p1a s ASN 71 CO 0.00 -1.37 -0.05 0.72 -1.51 0.00 0.00 177.10 174.89 1p1a s PHE 72 N -2.69 0.84 0.09 2.20 -0.12 -1.26 -3.90 117.98 113.14 1p1a s PHE 72 Ca 0.62 -0.96 0.07 0.00 -0.05 0.00 0.00 56.93 56.61 1p1a s PHE 72 Cb -0.06 -0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 1p1a s PHE 72 CO 0.39 -0.21 -0.18 0.54 -0.05 0.00 0.00 175.22 175.71 1p1a s VAL 73 N -3.69 1.50 -0.17 -2.49 0.11 -0.69 -4.50 120.40 110.46 1p1a s VAL 73 Ca 0.12 -1.46 -0.09 0.00 -2.93 0.00 0.00 61.98 57.62 1p1a s VAL 73 Cb 0.06 -1.39 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 1p1a s VAL 73 CO -0.05 -0.12 0.13 -0.69 -3.33 0.00 0.00 175.10 171.04 1p1a s VAL 74 N -1.21 5.40 -0.16 2.04 1.01 0.26 -0.85 120.40 126.90 1p1a s VAL 74 Ca 0.03 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1p1a s VAL 74 Cb -0.10 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1p1a s VAL 74 CO 0.04 0.50 0.04 0.68 0.00 0.00 0.00 175.10 176.36 1p1a s VAL 75 N -0.11 4.64 0.11 2.92 -7.23 0.21 -1.26 120.40 119.68 1p1a s VAL 75 Ca 0.10 -0.10 -0.02 0.00 -1.81 0.00 0.00 61.98 60.16 1p1a s VAL 75 Cb -0.11 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 1p1a s VAL 75 CO 0.00 0.51 0.04 0.00 -0.31 0.00 0.00 175.10 175.34 1p1a s MET 76 N 0.01 0.84 0.16 4.82 0.23 -0.24 -2.69 119.30 122.44 1p1a s MET 76 Ca 0.05 -1.35 0.07 0.00 -1.03 0.00 0.00 55.69 53.43 1p1a s MET 76 Cb -0.12 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.38 1p1a s MET 76 CO 0.01 -0.22 -0.15 0.14 -2.03 0.00 0.00 175.02 172.77 1p1a s VAL 77 N -4.00 1.55 0.03 5.16 -7.23 -1.26 -0.25 120.40 114.40 1p1a s VAL 77 Ca 0.18 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1p1a s VAL 77 Cb 0.07 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1p1a s VAL 77 CO -0.02 -0.47 -0.01 0.28 -0.31 0.00 0.00 175.10 174.57 1p1a s THR 78 N -2.47 0.15 0.00 5.32 -1.32 -0.62 -4.99 115.64 111.72 1p1a s THR 78 Ca 0.15 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 1p1a s THR 78 Cb -0.03 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1p1a s THR 78 CO 0.05 -0.69 0.00 1.17 -2.21 0.00 0.00 174.62 172.93 1p1a n LYS 79 N 0.92 0.00 -1.53 7.08 4.81 -1.26 -4.67 118.16 123.51 1p1a n LYS 79 Ca -0.20 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 56.94 1p1a n LYS 79 Cb 0.58 -0.34 0.07 0.00 0.02 0.00 0.00 35.03 35.36 1p1a n LYS 79 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1p1a s PRO 80 N -1.83 2.44 -0.13 1.64 0.04 -1.26 -5.09 135.00 130.80 1p1a s PRO 80 Ca 0.00 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 1p1a s PRO 80 Cb 0.00 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1p1a s PRO 80 CO 0.00 -1.42 0.37 0.21 0.04 0.00 0.00 177.00 176.20 1p1a s LYS 81 N -5.08 0.46 -0.46 4.56 2.20 -1.26 -5.12 119.74 115.03 1p1a s LYS 81 Ca 0.60 0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 56.37 1p1a s LYS 81 Cb -0.14 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 1p1a s LYS 81 CO 0.55 -0.07 1.69 0.00 -0.36 0.00 0.00 175.35 177.16 1p1a s ALA 82 N 0.03 2.68 -0.02 3.13 0.00 -1.26 -4.99 121.76 121.34 1p1a s ALA 82 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1p1a s ALA 82 Cb -0.03 -4.10 0.01 0.00 0.00 0.00 0.00 23.12 19.00 1p1a s ALA 82 CO 0.01 -3.01 -0.03 0.08 0.00 0.00 0.00 175.76 172.81 1p1a s VAL 83 N 7.15 0.31 0.07 0.00 1.01 -1.26 -5.17 120.40 122.52 1p1a s VAL 83 Ca 0.69 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.65 1p1a s VAL 83 Cb -0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1p1a s VAL 83 CO 0.28 0.13 -0.14 -0.44 0.00 0.00 0.00 175.10 174.94 1p1a s SER 84 N 0.49 1.69 0.00 3.32 0.01 -1.26 -5.33 113.70 112.62 1p1a s SER 84 Ca -0.05 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1p1a s SER 84 Cb -0.08 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1p1a s SER 84 CO -0.01 -0.08 0.06 0.41 0.41 0.00 0.00 173.24 174.02