#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 -4.42 -4.68 1.61 7.64 -1.26 -4.86 113.62 107.65 1p1a n SER 2 Ca 0.00 -0.13 -0.30 0.00 1.01 0.00 0.00 58.87 59.45 1p1a n SER 2 Cb 0.00 -3.67 0.16 0.00 -1.01 0.00 0.00 64.21 59.69 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 -2.88 2.09 0.26 1.43 0.09 -1.26 -4.56 115.29 110.46 1p1a s HIS 3 Ca 0.21 1.34 0.08 0.00 -0.00 0.00 0.00 55.06 56.69 1p1a s HIS 3 Cb -0.11 -3.17 -0.04 0.00 -0.00 0.00 0.00 32.58 29.27 1p1a s HIS 3 CO 0.26 -2.64 0.15 0.00 -0.00 0.00 0.00 174.74 172.51 1p1a s MET 4 N -4.82 2.75 0.12 1.40 0.00 -0.08 -4.88 119.30 113.79 1p1a s MET 4 Ca 0.64 -1.17 0.09 0.00 0.00 0.00 0.00 55.69 55.26 1p1a s MET 4 Cb -0.20 -2.45 -0.04 0.00 0.00 0.00 0.00 34.83 32.14 1p1a s MET 4 CO 0.58 0.37 -0.20 1.14 0.00 0.00 0.00 175.02 176.91 1p1a s GLN 5 N -3.81 1.72 0.02 3.16 -2.07 -1.26 -1.38 119.66 116.03 1p1a s GLN 5 Ca 0.33 -1.21 0.02 0.00 -1.82 0.00 0.00 55.36 52.68 1p1a s GLN 5 Cb -0.07 -2.08 -0.01 0.00 -1.09 0.00 0.00 33.01 29.76 1p1a s GLN 5 CO 0.24 0.47 -0.06 0.08 -1.32 0.00 0.00 175.29 174.70 1p1a s VAL 6 N -1.13 0.47 -0.17 3.63 1.01 0.13 -3.77 120.40 120.56 1p1a s VAL 6 Ca 0.17 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1p1a s VAL 6 Cb -0.10 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1p1a s VAL 6 CO 0.09 -0.09 -0.02 -0.89 0.00 0.00 0.00 175.10 174.19 1p1a s THR 7 N -0.65 3.97 -0.15 3.92 2.01 -1.26 -1.99 115.64 121.49 1p1a s THR 7 Ca -0.03 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1p1a s THR 7 Cb -0.05 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1p1a s THR 7 CO 0.00 0.47 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.46 1p1a s LEU 8 N 0.57 1.92 -0.12 4.42 1.43 0.70 -1.05 118.68 126.55 1p1a s LEU 8 Ca -0.02 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1p1a s LEU 8 Cb -0.14 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1p1a s LEU 8 CO 0.02 -0.00 0.15 -0.54 0.23 0.00 0.00 176.35 176.21 1p1a s LYS 9 N 1.23 3.49 0.25 1.70 1.02 0.07 -1.87 119.74 125.63 1p1a s LYS 9 Ca 0.01 -0.11 0.06 0.00 0.02 0.00 0.00 55.97 55.95 1p1a s LYS 9 Cb -0.14 -3.20 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1p1a s LYS 9 CO -0.09 0.76 0.33 0.95 -0.92 0.00 0.00 175.35 176.39 1p1a s THR 10 N -0.98 4.95 0.55 2.17 -4.23 -0.22 -0.81 115.64 117.07 1p1a s THR 10 Ca 0.15 -1.09 0.26 0.00 -1.18 0.00 0.00 61.69 59.84 1p1a s THR 10 Cb -0.12 -3.71 0.32 0.00 1.34 0.00 0.00 72.50 70.33 1p1a s THR 10 CO 0.04 -0.32 2.21 -0.07 -0.54 0.00 0.00 174.62 175.94 1p1a h LEU 11 N 1.22 0.00 0.00 4.79 3.38 -1.90 -2.05 115.31 120.74 1p1a h LEU 11 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1p1a h LEU 11 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1p1a h LEU 11 CO 0.60 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1p1a n GLN 12 N -3.99 0.98 -3.19 1.13 3.00 -1.26 -4.93 117.38 109.13 1p1a n GLN 12 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.82 1p1a n GLN 12 Cb 0.10 -1.20 0.07 0.00 0.00 0.00 0.00 30.24 29.22 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 -0.70 -5.53 -4.27 -1.09 1.13 -0.77 -5.06 117.38 101.09 1p1a n GLN 13 Ca 0.09 0.68 -0.19 0.00 -1.94 0.00 0.00 57.00 55.65 1p1a n GLN 13 Cb 0.04 -5.23 -0.11 0.00 0.11 0.00 0.00 30.24 25.06 1p1a n GLN 13 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1p1a s GLN 14 N -5.25 1.11 0.03 -1.09 0.74 -1.26 -4.97 119.66 108.98 1p1a s GLN 14 Ca 0.07 -1.31 0.04 0.00 0.05 0.00 0.00 55.36 54.20 1p1a s GLN 14 Cb -0.03 -1.03 -0.02 0.00 1.10 0.00 0.00 33.01 33.03 1p1a s GLN 14 CO 0.59 0.20 -0.11 0.99 -0.55 0.00 0.00 175.29 176.41 1p1a s THR 15 N -2.20 0.83 0.16 -0.34 2.01 -1.26 -1.06 115.64 113.78 1p1a s THR 15 Ca 0.12 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 1p1a s THR 15 Cb -0.05 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1p1a s THR 15 CO 0.04 -0.03 0.32 0.72 -0.69 0.00 0.00 174.62 174.98 1p1a s PHE 16 N -0.75 0.23 -0.01 4.92 -0.71 -0.78 -4.99 117.98 115.89 1p1a s PHE 16 Ca -0.00 -0.60 -0.01 0.00 -1.04 0.00 0.00 56.93 55.28 1p1a s PHE 16 Cb -0.07 0.04 -0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1p1a s PHE 16 CO 0.01 -0.73 0.02 -1.59 -1.34 0.00 0.00 175.22 171.59 1p1a s LYS 17 N -3.92 0.08 0.21 1.99 -2.85 -1.26 -0.21 119.74 113.78 1p1a s LYS 17 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 55.97 55.02 1p1a s LYS 17 Cb 0.03 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.79 1p1a s LYS 17 CO -0.03 -0.01 0.16 0.96 0.10 0.00 0.00 175.35 176.53 1p1a s ILE 18 N -0.23 0.00 -0.01 3.79 -5.25 -0.84 -4.96 121.20 113.69 1p1a s ILE 18 Ca -0.03 -1.96 0.01 0.00 -0.99 0.00 0.00 60.65 57.68 1p1a s ILE 18 Cb -0.02 -2.48 0.01 0.00 2.95 0.00 0.00 42.46 42.92 1p1a s ILE 18 CO -0.00 0.00 -0.02 1.51 -1.79 0.00 0.00 174.94 174.64 1p1a s ASP 19 N -3.17 0.32 0.15 4.36 -4.77 -1.26 -0.70 116.67 111.60 1p1a s ASP 19 Ca 0.38 -0.04 -0.08 0.00 -3.30 0.00 0.00 52.55 49.52 1p1a s ASP 19 Cb 0.06 -0.08 -0.01 0.00 -1.09 0.00 0.00 42.92 41.80 1p1a s ASP 19 CO 0.13 -0.01 0.24 0.27 0.70 0.00 0.00 175.17 176.50 1p1a s ILE 20 N 0.25 0.08 0.23 2.11 -0.00 -0.48 -4.98 121.20 118.40 1p1a s ILE 20 Ca -0.02 -1.44 -0.31 0.00 -0.00 0.00 0.00 60.65 58.87 1p1a s ILE 20 Cb -0.05 -1.81 -0.11 0.00 -0.00 0.00 0.00 42.46 40.49 1p1a s ILE 20 CO -0.01 -0.37 1.65 -0.62 -0.00 0.00 0.00 174.94 175.59 1p1a s ASP 21 N -2.97 6.42 0.46 4.36 -1.08 -1.26 -0.90 116.67 121.70 1p1a s ASP 21 Ca 0.17 2.84 0.32 0.00 -0.52 0.00 0.00 52.55 55.36 1p1a s ASP 21 Cb 0.04 -2.61 1.50 0.00 -1.46 0.00 0.00 42.92 40.40 1p1a s ASP 21 CO -0.01 -0.92 1.95 1.55 0.52 0.00 0.00 175.17 178.26 1p1a h PRO 22 N 6.19 0.00 -0.23 4.34 0.13 -1.89 -2.51 132.00 138.03 1p1a h PRO 22 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1p1a h PRO 22 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1p1a h PRO 22 CO 0.90 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.06 1p1a n GLU 23 N -2.72 1.92 -1.42 0.86 1.02 -1.26 -2.08 120.64 116.96 1p1a n GLU 23 Ca -0.00 -1.82 -0.30 0.00 -0.02 0.00 0.00 57.16 55.01 1p1a n GLU 23 Cb 0.18 -1.34 0.09 0.00 -0.02 0.00 0.00 31.44 30.34 1p1a n GLU 23 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1p1a s GLU 24 N -1.20 2.15 0.70 3.49 0.41 -0.95 -4.73 118.70 118.57 1p1a s GLU 24 Ca 0.25 0.87 -0.05 0.00 -0.41 0.00 0.00 54.97 55.62 1p1a s GLU 24 Cb 0.15 -1.91 0.07 0.00 -1.78 0.00 0.00 34.13 30.66 1p1a s GLU 24 CO 0.21 -1.63 0.99 0.95 -0.49 0.00 0.00 175.26 175.29 1p1a s THR 25 N -3.03 2.31 0.58 3.63 -4.23 -1.26 -1.07 115.64 112.56 1p1a s THR 25 Ca 0.61 -0.35 0.29 0.00 -1.18 0.00 0.00 61.69 61.06 1p1a s THR 25 Cb -0.16 -2.96 0.39 0.00 1.34 0.00 0.00 72.50 71.11 1p1a s THR 25 CO 0.55 0.00 1.94 0.58 -0.54 0.00 0.00 174.62 177.15 1p1a h VAL 26 N -0.55 0.44 -0.72 2.29 2.07 -1.62 -1.97 116.25 116.19 1p1a h VAL 26 Ca -0.43 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.24 1p1a h VAL 26 Cb 1.30 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.63 1p1a h VAL 26 CO 0.56 0.00 0.19 0.50 0.02 0.00 0.00 177.57 178.84 1p1a h LYS 27 N 0.00 0.28 -0.06 1.57 3.64 -1.82 0.95 116.57 121.14 1p1a h LYS 27 Ca 0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1p1a h LYS 27 Cb 1.10 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1p1a h LYS 27 CO -0.00 0.19 0.01 0.00 -2.27 0.00 0.00 179.45 177.37 1p1a h ALA 28 N 1.59 0.08 -0.81 5.00 0.00 -1.70 -0.84 119.26 122.58 1p1a h ALA 28 Ca 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1p1a h ALA 28 Cb 0.67 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1p1a h ALA 28 CO -0.49 -0.27 0.38 1.25 0.00 0.00 0.00 179.25 180.12 1p1a h LEU 29 N -0.15 1.07 0.00 0.00 5.85 -1.55 -2.17 115.31 118.35 1p1a h LEU 29 Ca 0.02 -0.13 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 1p1a h LEU 29 Cb 0.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1p1a h LEU 29 CO 0.00 0.91 -1.03 0.50 -0.34 0.00 0.00 178.44 178.49 1p1a h LYS 30 N 1.16 0.00 -0.16 1.25 3.11 -0.82 -3.33 116.57 117.79 1p1a h LYS 30 Ca 0.28 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.98 1p1a h LYS 30 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1p1a h LYS 30 CO -0.03 0.59 -0.44 0.93 -2.81 0.00 0.00 179.45 177.69 1p1a h GLU 31 N 0.00 0.57 -0.02 1.90 5.08 -1.11 -3.36 114.58 117.63 1p1a h GLU 31 Ca -0.08 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1p1a h GLU 31 Cb 1.63 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 1p1a h GLU 31 CO 0.08 1.03 -0.15 1.57 -1.00 0.00 0.00 179.01 180.54 1p1a h LYS 32 N 0.21 0.03 0.00 2.33 5.09 -1.50 -2.55 116.57 120.19 1p1a h LYS 32 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1p1a h LYS 32 Cb 1.06 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.38 1p1a h LYS 32 CO 0.09 0.18 0.00 -0.84 -2.09 0.00 0.00 179.45 176.80 1p1a h ILE 33 N 0.03 0.00 -0.82 0.07 -0.00 -1.71 -2.64 117.51 112.44 1p1a h ILE 33 Ca 0.01 -0.75 0.06 0.00 -0.00 0.00 0.00 64.86 64.17 1p1a h ILE 33 Cb 0.28 1.74 -0.05 0.00 -0.00 0.00 0.00 36.82 38.79 1p1a h ILE 33 CO 0.02 0.00 0.54 -0.08 -0.00 0.00 0.00 178.15 178.63 1p1a h GLU 34 N 0.00 0.91 0.00 0.16 4.81 -1.61 -2.08 114.58 116.77 1p1a h GLU 34 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1p1a h GLU 34 Cb 0.83 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1p1a h GLU 34 CO 0.00 0.60 0.00 0.43 -0.73 0.00 0.00 179.01 179.31 1p1a n SER 35 N -4.48 0.75 -0.03 1.04 7.64 -1.00 -1.03 113.62 116.52 1p1a n SER 35 Ca 0.12 0.62 -0.11 0.00 1.01 0.00 0.00 58.87 60.51 1p1a n SER 35 Cb 0.18 -0.81 -0.14 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.26 0.66 0.00 1.43 -0.58 -0.81 -4.70 120.64 114.37 1p1a n GLU 36 Ca 0.04 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1p1a n GLU 36 Cb 0.33 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 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 -3.09 2.54 0.00 3.49 5.02 -1.01 -5.12 118.16 119.98 1p1a n LYS 37 Ca -0.22 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1p1a n LYS 37 Cb 1.06 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 1p1a n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p1a n GLY 38 N 0.36 2.42 0.44 0.72 0.00 -0.19 -4.65 105.19 104.29 1p1a n GLY 38 Ca 0.00 -1.55 0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 0.26 0.00 1.61 1.63 -1.80 0.48 116.57 118.74 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 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1p1a h LYS 39 CO 0.00 0.17 0.00 0.38 -3.45 0.00 0.00 179.45 176.55 1p1a h ASP 40 N 0.26 0.00 0.00 4.20 2.03 -1.94 -3.25 116.42 117.73 1p1a h ASP 40 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 1p1a h ASP 40 Cb 1.89 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.39 1p1a h ASP 40 CO -0.29 0.00 -0.23 0.00 -1.03 0.00 0.00 179.24 177.69 1p1a n ALA 41 N -1.84 0.47 -3.04 4.15 0.00 -0.75 -4.94 120.51 114.57 1p1a n ALA 41 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 1p1a n ALA 41 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.35 0.96 -2.38 0.00 3.72 0.08 -5.03 117.46 114.46 1p1a n PHE 42 Ca 0.00 -3.63 -0.41 0.00 -0.05 0.00 0.00 57.45 53.36 1p1a n PHE 42 Cb 0.00 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.10 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 -2.73 4.47 0.22 -1.08 0.04 -1.22 -4.17 135.00 130.53 1p1a s PRO 43 Ca 0.39 1.85 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 1p1a s PRO 43 Cb 0.36 -3.27 0.32 0.00 0.04 0.00 0.00 34.50 31.95 1p1a s PRO 43 CO -0.07 -0.14 1.68 -0.24 0.04 0.00 0.00 177.00 178.27 1p1a h VAL 44 N 3.97 0.56 0.00 -0.36 3.04 -1.91 -2.00 116.25 119.55 1p1a h VAL 44 Ca -0.44 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1p1a h VAL 44 Cb 1.21 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1p1a h VAL 44 CO 0.77 0.04 0.00 0.00 -1.01 0.00 0.00 177.57 177.36 1p1a n ALA 45 N -2.69 1.82 -2.04 3.17 0.00 -1.26 -3.51 120.51 116.00 1p1a n ALA 45 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1p1a n ALA 45 Cb 0.35 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 0.27 1.90 3.03 0.00 0.00 -0.78 -4.56 105.19 105.06 1p1a n GLY 46 Ca 0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.81 0.45 0.05 1.61 -2.07 -1.04 -1.89 119.66 115.95 1p1a s GLN 47 Ca 0.23 -0.79 -0.01 0.00 -1.82 0.00 0.00 55.36 52.97 1p1a s GLN 47 Cb 0.25 -0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1p1a s GLN 47 CO -0.08 -0.03 -0.02 0.21 -1.32 0.00 0.00 175.29 174.05 1p1a s LYS 48 N -2.03 0.59 0.11 9.60 2.47 0.01 -4.89 119.74 125.60 1p1a s LYS 48 Ca -0.09 -1.14 0.07 0.00 -1.56 0.00 0.00 55.97 53.25 1p1a s LYS 48 Cb -0.06 0.21 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1p1a s LYS 48 CO -0.02 -0.11 -0.18 -0.51 0.16 0.00 0.00 175.35 174.68 1p1a s LEU 49 N -2.77 2.34 -0.02 5.43 1.02 -1.26 -0.56 118.68 122.86 1p1a s LEU 49 Ca 0.05 -0.73 0.01 0.00 0.02 0.00 0.00 54.13 53.48 1p1a s LEU 49 Cb 0.06 -0.76 0.01 0.00 0.02 0.00 0.00 46.19 45.51 1p1a s LEU 49 CO -0.09 -0.01 -0.05 -0.63 0.02 0.00 0.00 176.35 175.59 1p1a s ILE 50 N -1.49 0.42 -0.70 -0.59 -1.09 -0.30 -3.41 121.20 114.03 1p1a s ILE 50 Ca 0.07 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1p1a s ILE 50 Cb -0.08 -0.39 0.18 0.00 -1.58 0.00 0.00 42.46 40.58 1p1a s ILE 50 CO 0.04 0.14 0.52 -0.47 -1.23 0.00 0.00 174.94 173.95 1p1a s TYR 51 N 0.23 3.53 -1.18 3.97 5.04 -0.71 -0.50 117.35 127.72 1p1a s TYR 51 Ca -0.02 -2.95 0.00 0.00 -2.44 0.00 0.00 57.07 51.65 1p1a s TYR 51 Cb -0.06 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 39.15 1p1a s TYR 51 CO -0.00 -0.76 0.00 0.00 -1.34 0.00 0.00 175.55 173.45 1p1a n ALA 52 N 2.89 -0.43 0.00 3.97 0.00 -1.26 -1.84 120.51 123.84 1p1a n ALA 52 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1p1a n ALA 52 Cb 0.36 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.46 0.67 3.87 0.00 0.00 -1.26 -5.14 105.19 102.87 1p1a n GLY 53 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 3.51 -0.84 1.61 1.02 -0.77 -5.06 119.74 119.22 1p1a s LYS 54 Ca 0.00 -0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.73 1p1a s LYS 54 Cb 0.00 -3.21 0.22 0.00 -0.52 0.00 0.00 37.83 34.32 1p1a s LYS 54 CO 0.00 0.74 0.78 0.42 -0.92 0.00 0.00 175.35 176.38 1p1a s ILE 55 N -0.94 5.62 0.32 2.17 1.01 -1.26 -1.74 121.20 126.37 1p1a s ILE 55 Ca 0.15 -2.49 -0.29 0.00 0.00 0.00 0.00 60.65 58.02 1p1a s ILE 55 Cb -0.12 -4.48 -0.12 0.00 0.01 0.00 0.00 42.46 37.75 1p1a s ILE 55 CO 0.04 -1.04 1.52 0.18 0.00 0.00 0.00 174.94 175.63 1p1a n LEU 56 N 3.97 4.26 -4.01 2.97 4.32 -1.22 -5.01 117.00 122.27 1p1a n LEU 56 Ca 0.14 1.17 -0.22 0.00 -0.02 0.00 0.00 56.01 57.09 1p1a n LEU 56 Cb 0.47 -1.57 -0.16 0.00 -1.62 0.00 0.00 43.42 40.54 1p1a n LEU 56 CO 0.34 0.02 -0.45 0.21 -1.22 0.00 0.00 177.39 176.28 1p1a s ASN 57 N 0.22 1.44 0.56 -1.43 2.47 -1.26 -4.70 114.94 112.24 1p1a s ASN 57 Ca 0.61 -0.23 0.37 0.00 0.42 0.00 0.00 52.86 54.03 1p1a s ASN 57 Cb -0.51 -0.49 1.85 0.00 -1.45 0.00 0.00 41.25 40.64 1p1a s ASN 57 CO 0.54 0.06 2.12 -2.24 -3.72 0.00 0.00 177.10 173.85 1p1a h ASP 58 N 6.60 0.00 -0.21 -4.21 2.03 -1.95 -2.42 116.42 116.26 1p1a h ASP 58 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 1p1a h ASP 58 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1p1a h ASP 58 CO 0.48 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.79 1p1a n ASP 59 N -2.91 3.34 -4.24 4.15 5.75 -1.26 -3.69 116.55 117.69 1p1a n ASP 59 Ca -0.01 -2.83 -0.32 0.00 -0.01 0.00 0.00 54.79 51.62 1p1a n ASP 59 Cb 0.15 -0.45 -0.17 0.00 -1.03 0.00 0.00 41.12 39.62 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 -2.47 2.05 0.36 2.12 2.01 -0.91 -5.04 115.64 113.77 1p1a s THR 60 Ca 0.35 -1.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.04 1p1a s THR 60 Cb 0.28 -1.75 -0.09 0.00 0.01 0.00 0.00 72.50 70.95 1p1a s THR 60 CO 0.08 0.56 1.16 0.00 -0.69 0.00 0.00 174.62 175.73 1p1a s ALA 61 N 0.07 3.26 0.31 7.40 0.00 -1.26 -2.99 121.76 128.56 1p1a s ALA 61 Ca -0.11 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 1p1a s ALA 61 Cb -0.16 -3.37 0.51 0.00 0.00 0.00 0.00 23.12 20.10 1p1a s ALA 61 CO 0.06 -0.41 1.96 -0.07 0.00 0.00 0.00 175.76 177.30 1p1a h LEU 62 N 3.02 0.83 -1.89 0.00 3.38 -1.18 -1.21 115.31 118.27 1p1a h LEU 62 Ca -0.48 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1p1a h LEU 62 Cb 1.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1p1a h LEU 62 CO 0.64 0.64 0.00 0.07 0.09 0.00 0.00 178.44 179.88 1p1a h LYS 63 N 0.96 0.00 0.00 1.13 -0.00 -1.70 -1.82 116.57 115.14 1p1a h LYS 63 Ca 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.86 1p1a h LYS 63 Cb -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.19 1p1a h LYS 63 CO -0.05 0.00 -0.20 0.93 -0.00 0.00 0.00 179.45 180.14 1p1a h GLU 64 N 0.00 0.00 -0.01 0.07 5.08 -1.53 -2.64 114.58 115.55 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 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1p1a h GLU 64 CO 0.00 0.20 -0.21 0.66 -1.00 0.00 0.00 179.01 178.66 1p1a n TYR 65 N -3.36 0.00 -4.09 4.33 4.01 -0.69 -4.98 117.16 112.39 1p1a n TYR 65 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1p1a n TYR 65 Cb 0.42 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.81 -3.79 -1.87 -0.72 5.02 -1.00 -4.96 118.16 110.02 1p1a n LYS 66 Ca 0.13 0.44 -0.35 0.00 -2.02 0.00 0.00 58.31 56.50 1p1a n LYS 66 Cb 0.32 -5.08 0.05 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 -3.44 2.69 0.06 -0.18 1.01 -1.26 -5.06 121.20 115.02 1p1a s ILE 67 Ca 0.55 0.39 0.04 0.00 0.00 0.00 0.00 60.65 61.64 1p1a s ILE 67 Cb -0.30 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1p1a s ILE 67 CO 0.89 -0.13 -0.12 -0.62 0.00 0.00 0.00 174.94 174.97 1p1a s ASP 68 N -1.85 1.36 0.00 3.58 -1.08 -1.26 -5.01 116.67 112.41 1p1a s ASP 68 Ca 0.75 -0.57 0.21 0.00 -0.52 0.00 0.00 52.55 52.42 1p1a s ASP 68 Cb -0.28 -0.02 0.95 0.00 -1.46 0.00 0.00 42.92 42.11 1p1a s ASP 68 CO 0.36 -0.11 1.68 -1.84 0.52 0.00 0.00 175.17 175.78 1p1a n GLU 69 N 1.43 0.08 -0.04 4.34 0.28 -1.25 -3.16 120.64 122.32 1p1a n GLU 69 Ca -0.21 0.12 0.01 0.00 -0.16 0.00 0.00 57.16 56.92 1p1a n GLU 69 Cb 0.54 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.92 1p1a n GLU 69 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1p1a n LYS 70 N -1.44 1.38 -3.02 3.44 -0.00 -1.26 -4.74 118.16 112.51 1p1a n LYS 70 Ca 0.06 -1.12 -0.19 0.00 -0.00 0.00 0.00 58.31 57.06 1p1a n LYS 70 Cb 0.23 -0.79 0.05 0.00 -0.00 0.00 0.00 35.03 34.52 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 -0.72 5.23 0.06 -5.58 -0.87 -1.19 -5.13 114.94 106.74 1p1a s ASN 71 Ca 0.02 -0.74 -0.01 0.00 -1.57 0.00 0.00 52.86 50.56 1p1a s ASN 71 Cb 0.02 0.07 -0.04 0.00 -0.02 0.00 0.00 41.25 41.28 1p1a s ASN 71 CO 0.00 -1.21 -0.02 0.72 -2.57 0.00 0.00 177.10 174.02 1p1a s PHE 72 N -2.60 0.56 0.09 2.20 -0.12 -1.26 -4.15 117.98 112.70 1p1a s PHE 72 Ca 0.60 -1.09 0.06 0.00 -0.05 0.00 0.00 56.93 56.46 1p1a s PHE 72 Cb -0.07 -0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 1p1a s PHE 72 CO 0.38 -0.39 -0.17 0.54 -0.05 0.00 0.00 175.22 175.52 1p1a s VAL 73 N -3.93 1.39 -0.17 -2.49 0.11 -0.21 -4.52 120.40 110.57 1p1a s VAL 73 Ca 0.09 -1.45 -0.09 0.00 -2.93 0.00 0.00 61.98 57.59 1p1a s VAL 73 Cb 0.08 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.56 1p1a s VAL 73 CO -0.09 -0.18 0.14 -0.69 -3.33 0.00 0.00 175.10 170.96 1p1a s VAL 74 N -1.33 5.43 -0.12 2.04 1.01 0.34 -0.75 120.40 127.02 1p1a s VAL 74 Ca 0.03 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1p1a s VAL 74 Cb -0.09 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1p1a s VAL 74 CO 0.03 0.50 0.16 0.68 0.00 0.00 0.00 175.10 176.47 1p1a s VAL 75 N -0.12 5.47 0.08 2.92 -7.23 0.01 -1.15 120.40 120.38 1p1a s VAL 75 Ca 0.11 0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1p1a s VAL 75 Cb -0.12 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 1p1a s VAL 75 CO 0.00 0.60 -0.07 -0.04 -0.31 0.00 0.00 175.10 175.28 1p1a s MET 76 N -0.88 0.75 -0.38 4.82 -1.94 0.27 -3.67 119.30 118.27 1p1a s MET 76 Ca 0.15 -1.17 0.01 0.00 -1.71 0.00 0.00 55.69 52.96 1p1a s MET 76 Cb -0.12 -0.24 0.11 0.00 2.01 0.00 0.00 34.83 36.59 1p1a s MET 76 CO 0.04 0.00 0.13 0.08 -0.01 0.00 0.00 175.02 175.27 1p1a s VAL 77 N -2.98 2.78 0.02 -6.03 1.01 -1.26 -0.81 120.40 113.13 1p1a s VAL 77 Ca 0.06 -2.24 -0.03 0.00 0.00 0.00 0.00 61.98 59.77 1p1a s VAL 77 Cb 0.01 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1p1a s VAL 77 CO -0.03 -0.65 0.03 0.42 0.00 0.00 0.00 175.10 174.86 1p1a s THR 78 N 0.98 0.11 -0.43 3.92 -4.23 -0.79 -4.96 115.64 110.22 1p1a s THR 78 Ca 0.10 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 1p1a s THR 78 Cb -0.21 -0.37 0.12 0.00 1.34 0.00 0.00 72.50 73.38 1p1a s THR 78 CO -0.06 -0.48 0.23 -0.75 -0.54 0.00 0.00 174.62 173.03 1p1a s LYS 79 N -1.54 2.08 1.05 3.99 2.47 -1.26 -3.29 119.74 123.23 1p1a s LYS 79 Ca -0.15 -1.89 -0.17 0.00 -1.56 0.00 0.00 55.97 52.21 1p1a s LYS 79 Cb -0.08 -3.62 0.22 0.00 -1.46 0.00 0.00 37.83 32.89 1p1a s LYS 79 CO -0.01 -1.09 1.22 -1.25 0.16 0.00 0.00 175.35 174.38 1p1a s PRO 80 N 1.04 -0.00 0.12 4.03 0.04 -1.26 -5.09 135.00 133.88 1p1a s PRO 80 Ca 0.09 -0.19 0.03 0.00 0.04 0.00 0.00 61.00 60.97 1p1a s PRO 80 Cb -0.23 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1p1a s PRO 80 CO -0.04 -2.88 -0.09 0.15 0.04 0.00 0.00 177.00 174.19 1p1a s LYS 81 N -5.63 0.95 -0.29 4.56 1.02 -1.26 -5.05 119.74 114.03 1p1a s LYS 81 Ca 0.71 -1.38 -0.04 0.00 0.02 0.00 0.00 55.97 55.29 1p1a s LYS 81 Cb -0.07 -0.46 0.10 0.00 -0.52 0.00 0.00 37.83 36.88 1p1a s LYS 81 CO 0.54 0.04 0.13 0.00 -0.92 0.00 0.00 175.35 175.14 1p1a s ALA 82 N -3.36 0.74 -0.01 5.17 0.00 -1.26 -4.97 121.76 118.08 1p1a s ALA 82 Ca 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1p1a s ALA 82 Cb 0.03 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 1p1a s ALA 82 CO -0.02 -1.66 0.18 1.33 0.00 0.00 0.00 175.76 175.59 1p1a n VAL 83 N 5.18 0.00 -4.13 0.00 0.24 -1.26 -5.02 118.33 113.34 1p1a n VAL 83 Ca -0.05 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 61.59 1p1a n VAL 83 Cb 0.42 1.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.67 1p1a n VAL 83 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1p1a s SER 84 N -0.65 1.33 0.00 -1.34 0.15 -1.26 -5.41 113.70 106.51 1p1a s SER 84 Ca 0.00 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1p1a s SER 84 Cb 0.00 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1p1a s SER 84 CO 0.00 -0.14 0.00 0.35 1.20 0.00 0.00 173.24 174.66