#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 -4.59 1.61 7.64 -1.26 -4.90 113.62 112.12 1p1a n SER 2 Ca 0.00 -0.57 -0.34 0.00 1.01 0.00 0.00 58.87 58.97 1p1a n SER 2 Cb 0.00 -0.05 0.11 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.05 0.35 -4.03 1.43 -0.00 -1.26 -4.53 115.22 106.14 1p1a n HIS 3 Ca 0.15 0.37 -0.08 0.00 -0.00 0.00 0.00 57.72 58.16 1p1a n HIS 3 Cb 0.09 -2.02 -0.10 0.00 -0.00 0.00 0.00 29.99 27.96 1p1a n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1p1a s MET 4 N -3.60 0.45 0.14 -1.40 -2.45 0.16 -4.95 119.30 107.67 1p1a s MET 4 Ca 0.69 -0.89 0.01 0.00 -1.25 0.00 0.00 55.69 54.26 1p1a s MET 4 Cb -0.30 0.16 -0.04 0.00 1.25 0.00 0.00 34.83 35.90 1p1a s MET 4 CO 0.54 -0.08 0.29 -0.65 1.05 0.00 0.00 175.02 176.18 1p1a s GLN 5 N -2.60 3.46 0.02 4.11 -0.21 -1.26 -1.47 119.66 121.70 1p1a s GLN 5 Ca -0.05 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.82 1p1a s GLN 5 Cb -0.02 -2.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 1p1a s GLN 5 CO -0.05 0.51 -0.05 0.08 -2.12 0.00 0.00 175.29 173.67 1p1a s VAL 6 N -1.73 0.32 -0.17 1.09 1.01 -0.12 -3.73 120.40 117.07 1p1a s VAL 6 Ca 0.35 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1p1a s VAL 6 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1p1a s VAL 6 CO 0.28 -0.19 0.01 -0.89 0.00 0.00 0.00 175.10 174.31 1p1a s THR 7 N -0.78 4.28 -0.13 3.92 2.01 -1.26 -1.72 115.64 121.96 1p1a s THR 7 Ca -0.06 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1p1a s THR 7 Cb -0.06 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1p1a s THR 7 CO -0.00 0.47 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.45 1p1a s LEU 8 N 0.40 1.97 0.27 4.42 1.43 0.77 -0.67 118.68 127.27 1p1a s LEU 8 Ca -0.01 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1p1a s LEU 8 Cb -0.13 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1p1a s LEU 8 CO 0.02 0.05 0.40 -0.54 0.23 0.00 0.00 176.35 176.51 1p1a s LYS 9 N 0.89 3.39 0.15 1.70 1.02 0.22 -1.46 119.74 125.65 1p1a s LYS 9 Ca -0.06 -0.76 -0.00 0.00 0.02 0.00 0.00 55.97 55.17 1p1a s LYS 9 Cb -0.15 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1p1a s LYS 9 CO -0.02 0.33 0.04 0.95 -0.92 0.00 0.00 175.35 175.73 1p1a s THR 10 N -2.05 0.31 0.64 2.17 -4.23 -0.97 -0.83 115.64 110.67 1p1a s THR 10 Ca 0.37 -1.94 0.37 0.00 -1.18 0.00 0.00 61.69 59.31 1p1a s THR 10 Cb -0.09 -2.09 0.40 0.00 1.34 0.00 0.00 72.50 72.06 1p1a s THR 10 CO 0.30 -0.45 2.26 -0.07 -0.54 0.00 0.00 174.62 176.12 1p1a h LEU 11 N 2.79 0.00 0.00 4.79 3.38 -1.91 -2.33 115.31 122.03 1p1a h LEU 11 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1p1a n GLN 12 N -3.38 1.00 -3.33 1.13 3.00 -1.26 -4.92 117.38 109.63 1p1a n GLN 12 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 1p1a n GLN 12 Cb 0.14 -1.04 0.08 0.00 0.00 0.00 0.00 30.24 29.42 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 -0.54 -6.24 -4.13 -1.09 1.13 -0.88 -5.04 117.38 100.60 1p1a n GLN 13 Ca 0.02 0.75 -0.09 0.00 -1.94 0.00 0.00 57.00 55.74 1p1a n GLN 13 Cb 0.01 -5.51 -0.10 0.00 0.11 0.00 0.00 30.24 24.75 1p1a n GLN 13 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1p1a s GLN 14 N -5.47 0.83 0.02 -1.09 -2.07 -1.26 -5.02 119.66 105.59 1p1a s GLN 14 Ca 0.14 -1.37 0.01 0.00 -1.82 0.00 0.00 55.36 52.32 1p1a s GLN 14 Cb -0.06 0.23 -0.01 0.00 -1.09 0.00 0.00 33.01 32.08 1p1a s GLN 14 CO 0.65 -0.22 -0.04 0.99 -1.32 0.00 0.00 175.29 175.36 1p1a s THR 15 N -4.01 0.22 0.23 3.63 2.01 -1.26 -2.28 115.64 114.19 1p1a s THR 15 Ca 0.19 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1p1a s THR 15 Cb 0.08 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1p1a s THR 15 CO -0.02 -0.24 0.36 0.72 -0.69 0.00 0.00 174.62 174.75 1p1a s PHE 16 N -0.84 0.63 -0.02 4.92 -0.71 -0.53 -5.00 117.98 116.42 1p1a s PHE 16 Ca -0.08 -0.95 -0.03 0.00 -1.04 0.00 0.00 56.93 54.83 1p1a s PHE 16 Cb -0.06 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1p1a s PHE 16 CO -0.00 -0.88 0.08 -1.59 -1.34 0.00 0.00 175.22 171.49 1p1a s LYS 17 N -4.06 0.16 0.33 1.99 -2.85 -1.26 -0.16 119.74 113.89 1p1a s LYS 17 Ca 0.28 0.00 0.07 0.00 -1.00 0.00 0.00 55.97 55.32 1p1a s LYS 17 Cb 0.02 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.83 1p1a s LYS 17 CO 0.10 -0.03 0.29 0.96 0.10 0.00 0.00 175.35 176.78 1p1a s ILE 18 N -0.23 0.00 0.01 3.79 -5.25 -0.70 -5.00 121.20 113.82 1p1a s ILE 18 Ca -0.03 -1.98 0.00 0.00 -0.99 0.00 0.00 60.65 57.66 1p1a s ILE 18 Cb -0.02 -2.51 -0.01 0.00 2.95 0.00 0.00 42.46 42.87 1p1a s ILE 18 CO 0.00 0.00 -0.01 1.51 -1.79 0.00 0.00 174.94 174.65 1p1a s ASP 19 N -3.37 0.11 0.22 4.36 -4.77 -1.26 -0.95 116.67 111.01 1p1a s ASP 19 Ca 0.40 -0.16 -0.07 0.00 -3.30 0.00 0.00 52.55 49.42 1p1a s ASP 19 Cb 0.02 0.03 -0.02 0.00 -1.09 0.00 0.00 42.92 41.86 1p1a s ASP 19 CO 0.27 -0.09 0.30 0.27 0.70 0.00 0.00 175.17 176.62 1p1a s ILE 20 N -0.46 0.00 -0.09 2.11 -0.00 -0.54 -4.96 121.20 117.26 1p1a s ILE 20 Ca -0.05 -1.70 -0.30 0.00 -0.00 0.00 0.00 60.65 58.61 1p1a s ILE 20 Cb -0.03 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.46 40.07 1p1a s ILE 20 CO -0.00 -0.02 1.34 -1.81 -0.00 0.00 0.00 174.94 174.45 1p1a s ASP 21 N -3.08 6.90 0.20 4.36 1.01 -1.26 -0.66 116.67 124.13 1p1a s ASP 21 Ca 0.30 1.88 0.22 0.00 0.71 0.00 0.00 52.55 55.66 1p1a s ASP 21 Cb 0.03 -2.55 0.90 0.00 1.01 0.00 0.00 42.92 42.32 1p1a s ASP 21 CO 0.10 -0.75 1.67 -0.81 0.21 0.00 0.00 175.17 175.59 1p1a n PRO 22 N 6.18 0.15 0.00 8.23 -0.04 -1.26 -1.73 135.00 146.53 1p1a n PRO 22 Ca 0.14 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 64.08 1p1a n PRO 22 Cb 0.45 -1.79 0.48 0.00 -0.04 0.00 0.00 33.50 32.60 1p1a n PRO 22 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1p1a n GLU 23 N -2.08 0.00 -2.47 0.54 1.02 -1.26 -1.55 120.64 114.84 1p1a n GLU 23 Ca 0.03 0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 57.01 1p1a n GLU 23 Cb 0.23 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.00 3.29 0.89 3.49 0.41 -0.71 -4.70 118.70 118.37 1p1a s GLU 24 Ca 0.11 0.16 -0.11 0.00 -0.41 0.00 0.00 54.97 54.71 1p1a s GLU 24 Cb 0.15 -2.31 0.12 0.00 -1.78 0.00 0.00 34.13 30.31 1p1a s GLU 24 CO 0.41 -0.44 1.09 0.95 -0.49 0.00 0.00 175.26 176.78 1p1a s THR 25 N -2.88 2.70 0.47 3.63 -4.23 -1.26 -0.96 115.64 113.10 1p1a s THR 25 Ca 0.51 0.23 0.22 0.00 -1.18 0.00 0.00 61.69 61.46 1p1a s THR 25 Cb -0.10 -2.70 0.40 0.00 1.34 0.00 0.00 72.50 71.43 1p1a s THR 25 CO 0.46 -0.30 1.91 0.58 -0.54 0.00 0.00 174.62 176.74 1p1a h VAL 26 N -1.53 0.70 -1.01 2.29 2.07 -1.67 -1.79 116.25 115.31 1p1a h VAL 26 Ca -0.49 -0.08 0.27 0.00 0.82 0.00 0.00 66.70 67.22 1p1a h VAL 26 Cb 1.28 0.44 -0.13 0.00 -1.52 0.00 0.00 31.29 31.37 1p1a h VAL 26 CO 0.54 0.04 0.60 0.50 0.02 0.00 0.00 177.57 179.27 1p1a h LYS 27 N 0.23 0.49 0.00 1.57 3.64 -1.85 0.18 116.57 120.83 1p1a h LYS 27 Ca 0.38 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1p1a h LYS 27 Cb 1.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1p1a h LYS 27 CO -0.09 0.32 -0.28 0.00 -2.27 0.00 0.00 179.45 177.14 1p1a h ALA 28 N 1.75 1.06 0.02 5.00 0.00 -1.68 0.12 119.26 125.53 1p1a h ALA 28 Ca 0.67 -0.25 -0.34 0.00 0.00 0.00 0.00 54.91 54.99 1p1a h ALA 28 Cb 1.37 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1p1a h ALA 28 CO -0.49 0.35 -2.01 1.47 0.00 0.00 0.00 179.25 178.56 1p1a n LEU 29 N -3.51 1.20 -0.05 0.00 -0.00 -0.68 -3.97 117.00 109.99 1p1a n LEU 29 Ca -0.00 0.22 -0.07 0.00 -0.00 0.00 0.00 56.01 56.15 1p1a n LEU 29 Cb 0.44 -0.10 0.11 0.00 -0.00 0.00 0.00 43.42 43.87 1p1a n LEU 29 CO 0.34 0.56 0.68 0.50 -0.00 0.00 0.00 177.39 179.47 1p1a h LYS 30 N 0.01 0.68 -0.39 1.47 3.11 -0.85 -3.07 116.57 117.53 1p1a h LYS 30 Ca -0.41 -0.29 -0.09 0.00 -2.81 0.00 0.00 60.65 57.06 1p1a h LYS 30 Cb 2.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.26 1p1a h LYS 30 CO 0.05 0.88 -0.11 1.05 -2.81 0.00 0.00 179.45 178.51 1p1a h GLU 31 N 0.58 0.69 0.00 1.90 4.11 -0.95 -3.35 114.58 117.57 1p1a h GLU 31 Ca 0.07 -0.22 -0.14 0.00 0.07 0.00 0.00 59.36 59.14 1p1a h GLU 31 Cb 0.77 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1p1a h GLU 31 CO 0.06 0.78 -0.68 1.57 0.07 0.00 0.00 179.01 180.81 1p1a h LYS 32 N 0.63 0.00 0.00 1.06 5.09 -1.66 -3.21 116.57 118.48 1p1a h LYS 32 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.81 1p1a h LYS 32 Cb 0.55 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.88 1p1a h LYS 32 CO 0.03 0.68 -0.19 -0.84 -2.09 0.00 0.00 179.45 177.04 1p1a h ILE 33 N 0.00 0.30 -0.29 0.07 -0.00 -1.68 -2.94 117.51 112.98 1p1a h ILE 33 Ca -0.01 -1.43 -0.00 0.00 -0.00 0.00 0.00 64.86 63.42 1p1a h ILE 33 Cb 1.52 2.14 -0.01 0.00 -0.00 0.00 0.00 36.82 40.47 1p1a h ILE 33 CO 0.09 0.17 0.17 -0.08 -0.00 0.00 0.00 178.15 178.51 1p1a h GLU 34 N 0.00 0.38 0.00 0.16 4.81 -1.70 -1.23 114.58 117.00 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 1.14 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1p1a h GLU 34 CO 0.02 0.27 0.00 0.77 -0.73 0.00 0.00 179.01 179.34 1p1a h SER 35 N 0.39 0.00 0.00 1.04 0.02 -1.64 0.43 113.55 113.80 1p1a h SER 35 Ca 0.10 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.68 1p1a h SER 35 Cb -0.02 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 1p1a h SER 35 CO -0.02 0.00 -2.41 -0.62 -1.14 0.00 0.00 176.83 172.64 1p1a n GLU 36 N -2.56 0.69 0.00 3.45 -0.58 -0.55 -4.78 120.64 116.31 1p1a n GLU 36 Ca 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1p1a n GLU 36 Cb 0.18 -1.52 0.00 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 -2.93 3.75 0.00 3.49 5.02 -0.68 -5.14 118.16 121.67 1p1a n LYS 37 Ca -0.37 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1p1a n LYS 37 Cb 1.09 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.79 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 0.54 -1.79 0.41 0.72 0.00 0.14 -4.20 105.19 101.01 1p1a n GLY 38 Ca 0.00 -1.52 0.21 0.00 0.00 0.00 0.00 46.02 44.71 1p1a n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p1a h LYS 39 N 0.00 0.22 -0.00 1.61 6.56 -1.80 0.54 116.57 123.69 1p1a h LYS 39 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1p1a h LYS 39 Cb 0.00 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.61 1p1a h LYS 39 CO 0.00 0.15 0.13 0.22 -2.06 0.00 0.00 179.45 177.88 1p1a h ASP 40 N 0.23 0.00 0.00 0.86 3.58 -1.97 -3.28 116.42 115.85 1p1a h ASP 40 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1p1a h ASP 40 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1p1a h ASP 40 CO -0.09 0.00 -0.10 0.00 -2.88 0.00 0.00 179.24 176.16 1p1a n ALA 41 N -2.01 0.95 -3.18 -0.78 0.00 -0.82 -4.99 120.51 109.68 1p1a n ALA 41 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1p1a n ALA 41 Cb 0.19 0.02 -0.03 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 -0.57 0.13 -2.02 0.00 3.72 0.12 -4.98 117.46 113.86 1p1a n PHE 42 Ca 0.00 -3.80 -0.42 0.00 -0.05 0.00 0.00 57.45 53.18 1p1a n PHE 42 Cb 0.04 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 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 -2.38 4.24 0.46 -1.08 0.04 -1.24 -4.55 135.00 130.49 1p1a s PRO 43 Ca 0.40 2.23 0.20 0.00 0.04 0.00 0.00 61.00 63.87 1p1a s PRO 43 Cb 0.35 -3.40 1.19 0.00 0.04 0.00 0.00 34.50 32.68 1p1a s PRO 43 CO -0.08 -0.62 1.91 0.28 0.04 0.00 0.00 177.00 178.53 1p1a h VAL 44 N 4.50 0.71 0.00 -0.36 2.07 -1.91 0.50 116.25 121.75 1p1a h VAL 44 Ca -0.42 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1p1a h VAL 44 Cb 1.20 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1p1a h VAL 44 CO 0.91 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.55 1p1a n ALA 45 N -2.57 1.60 -0.18 1.67 0.00 -1.26 -4.06 120.51 115.70 1p1a n ALA 45 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1p1a n ALA 45 Cb 0.66 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.31 0.68 3.77 0.00 0.00 -0.13 -4.98 105.19 104.22 1p1a n GLY 46 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 4.61 0.06 1.61 -2.07 -0.02 -1.76 119.66 122.08 1p1a s GLN 47 Ca 0.00 1.55 -0.01 0.00 -1.82 0.00 0.00 55.36 55.08 1p1a s GLN 47 Cb 0.00 -3.01 -0.04 0.00 -1.09 0.00 0.00 33.01 28.87 1p1a s GLN 47 CO 0.00 0.26 -0.02 0.15 -1.32 0.00 0.00 175.29 174.35 1p1a s LYS 48 N -1.69 0.63 0.08 9.60 1.02 0.46 -4.93 119.74 124.91 1p1a s LYS 48 Ca 0.47 -1.23 0.03 0.00 0.02 0.00 0.00 55.97 55.26 1p1a s LYS 48 Cb -0.25 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 1p1a s LYS 48 CO 0.32 -0.12 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.02 1p1a s LEU 49 N -2.93 2.37 0.02 3.17 1.02 -1.26 -0.88 118.68 120.19 1p1a s LEU 49 Ca 0.08 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.49 1p1a s LEU 49 Cb 0.08 -0.25 -0.01 0.00 0.02 0.00 0.00 46.19 46.02 1p1a s LEU 49 CO -0.09 -0.26 -0.07 -0.63 0.02 0.00 0.00 176.35 175.32 1p1a s ILE 50 N -2.25 0.51 -0.43 -0.59 -1.09 0.12 -1.41 121.20 116.07 1p1a s ILE 50 Ca 0.02 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1p1a s ILE 50 Cb -0.04 -0.50 0.13 0.00 -1.58 0.00 0.00 42.46 40.47 1p1a s ILE 50 CO -0.00 -0.07 0.21 -0.47 -1.23 0.00 0.00 174.94 173.37 1p1a s TYR 51 N -0.64 2.31 -0.95 3.97 5.04 0.04 -0.75 117.35 126.37 1p1a s TYR 51 Ca -0.02 -2.52 0.00 0.00 -2.44 0.00 0.00 57.07 52.08 1p1a s TYR 51 Cb -0.05 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.13 1p1a s TYR 51 CO 0.00 -0.80 0.00 0.00 -1.34 0.00 0.00 175.55 173.41 1p1a n ALA 52 N 3.69 -0.14 0.00 3.97 0.00 -1.26 -2.92 120.51 123.85 1p1a n ALA 52 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1p1a n ALA 52 Cb 0.36 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.22 0.34 3.34 0.00 0.00 -1.26 -5.16 105.19 102.67 1p1a n GLY 53 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 1.32 -0.21 1.61 -2.85 -1.15 -5.14 119.74 113.32 1p1a s LYS 54 Ca 0.00 -1.48 -0.11 0.00 -1.00 0.00 0.00 55.97 53.38 1p1a s LYS 54 Cb 0.00 -1.29 -0.05 0.00 -2.06 0.00 0.00 37.83 34.43 1p1a s LYS 54 CO 0.00 0.25 0.18 0.42 0.10 0.00 0.00 175.35 176.29 1p1a s ILE 55 N -2.36 5.37 -0.59 3.79 1.01 -1.26 -0.78 121.20 126.38 1p1a s ILE 55 Ca 0.19 0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.82 1p1a s ILE 55 Cb -0.04 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1p1a s ILE 55 CO 0.07 0.40 1.19 -0.76 0.00 0.00 0.00 174.94 175.84 1p1a s LEU 56 N 0.62 3.45 0.11 2.97 1.02 -0.50 -4.96 118.68 121.38 1p1a s LEU 56 Ca 0.10 0.07 -0.30 0.00 0.02 0.00 0.00 54.13 54.01 1p1a s LEU 56 Cb -0.12 -3.13 -0.06 0.00 0.02 0.00 0.00 46.19 42.90 1p1a s LEU 56 CO 0.01 -1.50 1.14 0.21 0.02 0.00 0.00 176.35 176.23 1p1a s ASN 57 N 3.00 7.18 0.09 2.29 2.47 -1.26 -4.51 114.94 124.20 1p1a s ASN 57 Ca 0.42 2.02 0.11 0.00 0.42 0.00 0.00 52.86 55.84 1p1a s ASN 57 Cb -0.08 -2.59 0.51 0.00 -1.45 0.00 0.00 41.25 37.64 1p1a s ASN 57 CO 0.25 -0.34 1.34 -0.67 -3.72 0.00 0.00 177.10 173.95 1p1a n ASP 58 N 3.20 0.19 -0.02 -4.21 2.03 -1.26 -2.32 116.55 114.17 1p1a n ASP 58 Ca 0.06 0.57 0.02 0.00 0.52 0.00 0.00 54.79 55.96 1p1a n ASP 58 Cb 0.47 -0.60 0.03 0.00 -0.72 0.00 0.00 41.12 40.30 1p1a n ASP 58 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1p1a n ASP 59 N -1.73 2.06 -4.30 1.67 8.00 -1.26 -3.79 116.55 117.19 1p1a n ASP 59 Ca 0.01 -2.24 -0.32 0.00 0.71 0.00 0.00 54.79 52.95 1p1a n ASP 59 Cb 0.08 -0.10 -0.16 0.00 -0.02 0.00 0.00 41.12 40.92 1p1a n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1p1a s THR 60 N -1.42 2.39 0.35 -3.53 2.01 -0.98 -4.99 115.64 109.47 1p1a s THR 60 Ca 0.07 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 1p1a s THR 60 Cb 0.06 -1.92 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 1p1a s THR 60 CO 0.01 0.56 1.30 0.00 -0.69 0.00 0.00 174.62 175.79 1p1a s ALA 61 N -0.01 3.43 0.40 7.40 0.00 -1.26 -2.87 121.76 128.85 1p1a s ALA 61 Ca -0.07 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.21 1p1a s ALA 61 Cb -0.15 -3.47 0.81 0.00 0.00 0.00 0.00 23.12 20.31 1p1a s ALA 61 CO 0.05 -0.67 1.99 -0.07 0.00 0.00 0.00 175.76 177.06 1p1a h LEU 62 N 3.21 0.37 -2.66 0.00 3.38 -0.96 -1.56 115.31 117.10 1p1a h LEU 62 Ca -0.49 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1p1a h LEU 62 Cb 1.23 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1p1a h LEU 62 CO 0.65 0.38 -0.01 0.07 0.09 0.00 0.00 178.44 179.62 1p1a h LYS 63 N 0.41 0.00 0.00 1.13 -0.00 -1.56 -1.53 116.57 115.02 1p1a h LYS 63 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.75 1p1a h LYS 63 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.38 1p1a h LYS 63 CO -0.01 0.01 -0.01 0.39 -0.00 0.00 0.00 179.45 179.83 1p1a n GLU 64 N -3.21 0.14 0.00 0.07 1.02 -0.59 -2.19 120.64 115.88 1p1a n GLU 64 Ca -0.02 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 1p1a n GLU 64 Cb 0.11 -1.66 0.35 0.00 -0.02 0.00 0.00 31.44 30.22 1p1a n GLU 64 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1p1a n TYR 65 N -1.91 0.00 -4.14 -0.32 4.01 -0.58 -4.99 117.16 109.22 1p1a n TYR 65 Ca 0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.48 1p1a n TYR 65 Cb 0.39 -0.11 -0.03 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 -0.58 -3.02 -1.80 -0.72 5.02 -0.93 -4.94 118.16 111.19 1p1a n LYS 66 Ca 0.12 0.36 -0.39 0.00 -2.02 0.00 0.00 58.31 56.38 1p1a n LYS 66 Cb 0.36 -4.78 0.03 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 -3.61 2.10 -0.01 -0.18 -1.09 -1.25 -5.05 121.20 112.11 1p1a s ILE 67 Ca 0.42 0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 58.92 1p1a s ILE 67 Cb -0.23 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.61 1p1a s ILE 67 CO 0.92 0.01 0.02 -0.62 -1.23 0.00 0.00 174.94 174.04 1p1a s ASP 68 N -0.71 -0.01 0.00 3.58 -1.08 -1.26 -5.00 116.67 112.18 1p1a s ASP 68 Ca 0.65 0.04 0.12 0.00 -0.52 0.00 0.00 52.55 52.85 1p1a s ASP 68 Cb -0.42 0.03 0.68 0.00 -1.46 0.00 0.00 42.92 41.75 1p1a s ASP 68 CO 0.52 -0.02 1.24 -1.84 0.52 0.00 0.00 175.17 175.59 1p1a n GLU 69 N 3.21 0.28 0.06 4.34 0.28 -1.24 -1.43 120.64 126.13 1p1a n GLU 69 Ca -0.14 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.07 1p1a n GLU 69 Cb 0.59 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 32.22 1p1a n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1p1a n LYS 70 N -1.15 0.22 -2.55 3.44 5.02 -1.26 -4.85 118.16 117.03 1p1a n LYS 70 Ca 0.07 0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.37 1p1a n LYS 70 Cb 0.07 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.40 1p1a n LYS 70 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1p1a n ASN 71 N -2.01 2.08 -4.09 4.39 3.02 -0.52 -5.17 115.26 112.96 1p1a n ASN 71 Ca 0.04 -1.60 -0.07 0.00 -0.03 0.00 0.00 54.58 52.92 1p1a n ASN 71 Cb 0.42 0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.55 1p1a n ASN 71 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1p1a s PHE 72 N -1.26 0.55 0.13 3.10 -0.12 -1.26 -4.37 117.98 114.75 1p1a s PHE 72 Ca 0.03 -1.08 0.09 0.00 -0.05 0.00 0.00 56.93 55.92 1p1a s PHE 72 Cb -0.00 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1p1a s PHE 72 CO 0.02 -0.40 -0.17 0.08 -0.05 0.00 0.00 175.22 174.70 1p1a s VAL 73 N -3.93 2.85 -0.04 -2.49 1.01 0.15 -4.46 120.40 113.49 1p1a s VAL 73 Ca 0.09 -1.56 0.07 0.00 0.00 0.00 0.00 61.98 60.58 1p1a s VAL 73 Cb 0.08 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1p1a s VAL 73 CO -0.09 0.06 -0.24 -0.69 0.00 0.00 0.00 175.10 174.14 1p1a s VAL 74 N -1.24 2.16 -0.06 2.92 1.01 0.07 -0.61 120.40 124.64 1p1a s VAL 74 Ca 0.19 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1p1a s VAL 74 Cb -0.10 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1p1a s VAL 74 CO 0.11 0.58 -0.11 -0.69 0.00 0.00 0.00 175.10 174.98 1p1a s VAL 75 N -0.43 3.30 0.06 2.92 1.01 -0.01 -0.71 120.40 126.55 1p1a s VAL 75 Ca 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1p1a s VAL 75 Cb -0.12 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1p1a s VAL 75 CO 0.01 0.59 -0.02 0.00 0.00 0.00 0.00 175.10 175.68 1p1a s MET 76 N -0.64 0.65 -0.08 2.72 0.23 -0.05 -3.49 119.30 118.63 1p1a s MET 76 Ca 0.10 -1.24 -0.01 0.00 -1.03 0.00 0.00 55.69 53.50 1p1a s MET 76 Cb -0.11 0.22 0.03 0.00 -1.53 0.00 0.00 34.83 33.43 1p1a s MET 76 CO 0.01 -0.13 -0.00 0.08 -2.03 0.00 0.00 175.02 172.95 1p1a s VAL 77 N -3.93 0.41 -0.00 5.16 1.01 -1.26 -0.40 120.40 121.38 1p1a s VAL 77 Ca 0.09 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1p1a s VAL 77 Cb 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1p1a s VAL 77 CO -0.09 0.25 0.18 0.28 0.00 0.00 0.00 175.10 175.72 1p1a s THR 78 N 1.96 0.08 -0.19 3.92 -1.32 -0.72 -4.99 115.64 114.37 1p1a s THR 78 Ca 0.05 -0.64 -0.16 0.00 -1.21 0.00 0.00 61.69 59.72 1p1a s THR 78 Cb -0.12 -0.49 0.05 0.00 -1.51 0.00 0.00 72.50 70.43 1p1a s THR 78 CO -0.05 -0.35 0.50 -0.75 -2.21 0.00 0.00 174.62 171.76 1p1a s LYS 79 N -1.40 0.57 0.17 7.08 2.47 -1.26 -4.60 119.74 122.77 1p1a s LYS 79 Ca -0.14 0.74 0.18 0.00 -1.56 0.00 0.00 55.97 55.19 1p1a s LYS 79 Cb -0.07 0.24 0.79 0.00 -1.46 0.00 0.00 37.83 37.33 1p1a s LYS 79 CO 0.02 -0.09 1.54 -0.35 0.16 0.00 0.00 175.35 176.64 1p1a n PRO 80 N 3.09 0.11 0.24 4.03 -0.04 -1.26 -1.65 135.00 139.52 1p1a n PRO 80 Ca -0.15 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 63.83 1p1a n PRO 80 Cb 0.56 -1.74 0.59 0.00 -0.04 0.00 0.00 33.50 32.87 1p1a n PRO 80 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1p1a h LYS 81 N 0.00 0.00 -6.55 0.54 1.57 -2.04 -3.41 116.57 106.68 1p1a h LYS 81 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1p1a h LYS 81 Cb 0.21 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 1p1a h LYS 81 CO 0.00 0.18 0.85 0.00 -0.57 0.00 0.00 179.45 179.91 1p1a s ALA 82 N -4.33 3.14 0.04 3.86 0.00 -0.66 -5.02 121.76 118.80 1p1a s ALA 82 Ca -0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1p1a s ALA 82 Cb 0.14 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1p1a s ALA 82 CO 0.64 -2.29 -0.03 0.14 0.00 0.00 0.00 175.76 174.23 1p1a s VAL 83 N 4.37 0.19 0.07 0.00 -7.23 -1.26 -4.94 120.40 111.60 1p1a s VAL 83 Ca 0.44 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 1p1a s VAL 83 Cb -0.08 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1p1a s VAL 83 CO 0.29 -0.86 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.54 1p1a s SER 84 N -2.51 1.62 0.00 4.85 0.15 -1.26 -5.26 113.70 111.29 1p1a s SER 84 Ca 0.01 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1p1a s SER 84 Cb 0.03 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1p1a s SER 84 CO -0.07 -0.09 0.00 0.41 1.20 0.00 0.00 173.24 174.68