#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1a h SER 2 N 0.00 0.00 -3.65 1.61 4.64 -2.05 -3.43 113.55 110.67 1p1a h SER 2 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1p1a h SER 2 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1p1a h SER 2 CO 0.00 0.04 -0.66 -1.00 -0.87 0.00 0.00 176.83 174.35 1p1a s HIS 3 N -4.21 1.66 0.03 4.77 0.09 -1.26 -4.44 115.29 111.92 1p1a s HIS 3 Ca -0.03 -0.88 -0.01 0.00 -0.00 0.00 0.00 55.06 54.14 1p1a s HIS 3 Cb 0.13 -0.97 -0.02 0.00 -0.00 0.00 0.00 32.58 31.72 1p1a s HIS 3 CO 0.52 0.02 -0.02 1.41 -0.00 0.00 0.00 174.74 176.67 1p1a s MET 4 N -3.84 0.38 0.11 1.40 -2.45 0.16 -4.91 119.30 110.14 1p1a s MET 4 Ca 0.29 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 54.08 1p1a s MET 4 Cb 0.05 0.13 -0.04 0.00 1.25 0.00 0.00 34.83 36.23 1p1a s MET 4 CO 0.10 -0.07 -0.06 1.14 1.05 0.00 0.00 175.02 177.19 1p1a s GLN 5 N -1.92 2.30 0.05 4.11 -2.07 -1.26 -1.39 119.66 119.48 1p1a s GLN 5 Ca -0.12 -0.97 0.02 0.00 -1.82 0.00 0.00 55.36 52.48 1p1a s GLN 5 Cb -0.07 -2.39 -0.02 0.00 -1.09 0.00 0.00 33.01 29.44 1p1a s GLN 5 CO -0.03 0.51 -0.08 0.08 -1.32 0.00 0.00 175.29 174.46 1p1a s VAL 6 N -1.30 0.57 -0.23 3.63 1.01 -0.13 -4.18 120.40 119.78 1p1a s VAL 6 Ca 0.23 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1p1a s VAL 6 Cb -0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1p1a s VAL 6 CO 0.16 -0.39 0.16 -0.89 0.00 0.00 0.00 175.10 174.13 1p1a s THR 7 N -1.46 5.37 -0.14 3.92 2.01 -1.25 -2.21 115.64 121.88 1p1a s THR 7 Ca -0.09 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1p1a s THR 7 Cb -0.09 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.93 1p1a s THR 7 CO 0.00 0.37 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.32 1p1a s LEU 8 N 0.86 2.12 0.28 4.42 1.43 0.28 -1.04 118.68 127.03 1p1a s LEU 8 Ca 0.08 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1p1a s LEU 8 Cb -0.13 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1p1a s LEU 8 CO 0.03 0.08 0.41 -0.54 0.23 0.00 0.00 176.35 176.56 1p1a s LYS 9 N 0.79 3.35 0.18 1.70 1.02 0.29 -0.84 119.74 126.24 1p1a s LYS 9 Ca -0.07 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.15 1p1a s LYS 9 Cb -0.16 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1p1a s LYS 9 CO -0.01 0.30 0.04 0.95 -0.92 0.00 0.00 175.35 175.70 1p1a s THR 10 N -2.07 0.51 -2.00 2.17 -4.23 -1.09 -0.89 115.64 108.04 1p1a s THR 10 Ca 0.38 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1p1a s THR 10 Cb -0.09 -2.23 0.10 0.00 1.34 0.00 0.00 72.50 71.62 1p1a s THR 10 CO 0.30 -0.35 0.62 0.00 -0.54 0.00 0.00 174.62 174.65 1p1a n LEU 11 N -0.26 0.00 -1.40 4.79 -0.00 -1.15 -3.09 117.00 115.89 1p1a n LEU 11 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.86 1p1a n LEU 11 Cb 0.64 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.17 1p1a n LEU 11 CO 0.34 0.00 0.28 0.00 -0.00 0.00 0.00 177.39 178.01 1p1a n GLN 12 N -0.90 2.71 -3.83 1.47 1.13 -1.26 -5.01 117.38 111.69 1p1a n GLN 12 Ca 0.03 -3.77 -0.28 0.00 -1.94 0.00 0.00 57.00 51.03 1p1a n GLN 12 Cb 0.01 -1.99 0.04 0.00 0.11 0.00 0.00 30.24 28.41 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 -0.90 -6.21 -4.10 -1.09 6.02 -1.18 -4.97 117.38 104.96 1p1a n GLN 13 Ca 0.33 0.66 -0.09 0.00 -0.01 0.00 0.00 57.00 57.90 1p1a n GLN 13 Cb 0.85 -5.60 -0.10 0.00 1.02 0.00 0.00 30.24 26.42 1p1a n GLN 13 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1p1a s GLN 14 N -6.53 0.84 0.01 -1.09 -2.07 -1.26 -5.05 119.66 104.51 1p1a s GLN 14 Ca 0.63 -1.33 0.01 0.00 -1.82 0.00 0.00 55.36 52.85 1p1a s GLN 14 Cb -0.31 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 31.85 1p1a s GLN 14 CO 0.80 -0.22 -0.03 0.99 -1.32 0.00 0.00 175.29 175.51 1p1a s THR 15 N -3.99 0.18 0.30 3.63 2.01 -1.26 -2.66 115.64 113.85 1p1a s THR 15 Ca 0.17 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1p1a s THR 15 Cb 0.07 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 1p1a s THR 15 CO -0.03 -0.17 0.30 0.72 -0.69 0.00 0.00 174.62 174.76 1p1a s PHE 16 N -0.62 1.38 -0.07 4.92 -0.71 -0.02 -4.97 117.98 117.89 1p1a s PHE 16 Ca -0.05 -1.46 0.01 0.00 -1.04 0.00 0.00 56.93 54.38 1p1a s PHE 16 Cb -0.05 -0.47 0.02 0.00 -1.21 0.00 0.00 43.02 41.31 1p1a s PHE 16 CO -0.00 -0.89 -0.07 0.15 -1.34 0.00 0.00 175.22 173.06 1p1a s LYS 17 N -3.54 1.24 0.14 1.99 -0.14 -1.26 -0.56 119.74 117.62 1p1a s LYS 17 Ca 0.37 -0.21 -0.01 0.00 -1.36 0.00 0.00 55.97 54.75 1p1a s LYS 17 Cb 0.03 -1.20 -0.04 0.00 -1.68 0.00 0.00 37.83 34.94 1p1a s LYS 17 CO 0.21 -0.11 0.08 0.96 -0.76 0.00 0.00 175.35 175.73 1p1a s ILE 18 N 1.12 0.09 -0.01 2.17 -5.25 -0.94 -5.01 121.20 113.36 1p1a s ILE 18 Ca -0.07 -1.90 -0.00 0.00 -0.99 0.00 0.00 60.65 57.69 1p1a s ILE 18 Cb -0.14 -2.10 0.01 0.00 2.95 0.00 0.00 42.46 43.18 1p1a s ILE 18 CO -0.01 -0.39 0.02 1.51 -1.79 0.00 0.00 174.94 174.28 1p1a s ASP 19 N -3.06 0.01 0.22 4.36 -4.77 -1.26 -0.95 116.67 111.22 1p1a s ASP 19 Ca 0.26 0.04 -0.06 0.00 -3.30 0.00 0.00 52.55 49.48 1p1a s ASP 19 Cb 0.07 -0.00 -0.02 0.00 -1.09 0.00 0.00 42.92 41.87 1p1a s ASP 19 CO 0.03 -0.05 0.29 0.27 0.70 0.00 0.00 175.17 176.41 1p1a s ILE 20 N 0.42 0.00 -0.07 2.11 -0.00 -0.48 -4.92 121.20 118.26 1p1a s ILE 20 Ca -0.03 -1.73 -0.30 0.00 -0.00 0.00 0.00 60.65 58.59 1p1a s ILE 20 Cb -0.05 -2.37 -0.05 0.00 -0.00 0.00 0.00 42.46 39.99 1p1a s ILE 20 CO -0.01 0.00 1.66 -0.62 -0.00 0.00 0.00 174.94 175.97 1p1a s ASP 21 N -3.10 6.62 0.14 4.36 -1.08 -1.26 -0.67 116.67 121.69 1p1a s ASP 21 Ca 0.31 2.19 0.17 0.00 -0.52 0.00 0.00 52.55 54.71 1p1a s ASP 21 Cb 0.03 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.72 1p1a s ASP 21 CO 0.11 -0.97 1.53 -0.81 0.52 0.00 0.00 175.17 175.55 1p1a n PRO 22 N 7.20 0.09 0.00 4.34 -0.04 -1.26 -1.99 135.00 143.34 1p1a n PRO 22 Ca 0.18 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1p1a n PRO 22 Cb 0.43 -1.70 0.32 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.88 1.29 -1.68 0.54 1.02 -1.26 -1.58 120.64 117.09 1p1a n GLU 23 Ca 0.02 -0.87 -0.30 0.00 -0.02 0.00 0.00 57.16 55.99 1p1a n GLU 23 Cb 0.16 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.30 2.76 0.85 3.49 0.41 -0.84 -4.71 118.70 118.36 1p1a s GLU 24 Ca 0.27 0.71 -0.12 0.00 -0.41 0.00 0.00 54.97 55.42 1p1a s GLU 24 Cb 0.20 -1.99 0.10 0.00 -1.78 0.00 0.00 34.13 30.66 1p1a s GLU 24 CO 0.45 -1.16 1.18 0.95 -0.49 0.00 0.00 175.26 176.19 1p1a s THR 25 N -3.17 2.00 0.55 3.63 -4.23 -1.26 -0.96 115.64 112.18 1p1a s THR 25 Ca 0.58 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 61.41 1p1a s THR 25 Cb -0.13 -2.94 0.47 0.00 1.34 0.00 0.00 72.50 71.25 1p1a s THR 25 CO 0.54 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 177.08 1p1a h VAL 26 N -1.22 0.52 -0.98 2.29 2.07 -1.62 -2.10 116.25 115.20 1p1a h VAL 26 Ca -0.47 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.21 1p1a h VAL 26 Cb 1.32 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 31.55 1p1a h VAL 26 CO 0.63 0.00 0.60 0.50 0.02 0.00 0.00 177.57 179.31 1p1a h LYS 27 N 0.00 0.82 -0.03 1.57 3.64 -1.83 0.19 116.57 120.93 1p1a h LYS 27 Ca 0.40 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1p1a h LYS 27 Cb 1.68 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1p1a h LYS 27 CO -0.00 0.54 -0.00 0.00 -2.27 0.00 0.00 179.45 177.71 1p1a h ALA 28 N 1.59 0.04 -0.23 5.00 0.00 -1.74 -0.65 119.26 123.27 1p1a h ALA 28 Ca 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1p1a h ALA 28 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1p1a h ALA 28 CO -0.33 -0.27 0.01 1.25 0.00 0.00 0.00 179.25 179.91 1p1a h LEU 29 N -0.28 0.30 0.21 0.00 5.85 -1.49 -2.45 115.31 117.44 1p1a h LEU 29 Ca 0.01 -0.04 -0.33 0.00 0.84 0.00 0.00 57.88 58.36 1p1a h LEU 29 Cb 0.37 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.34 1p1a h LEU 29 CO 0.00 0.35 -1.51 0.50 -0.34 0.00 0.00 178.44 177.44 1p1a h LYS 30 N 0.33 0.44 -0.61 1.25 3.11 -0.61 -3.35 116.57 117.12 1p1a h LYS 30 Ca 0.08 -0.75 -0.07 0.00 -2.81 0.00 0.00 60.65 57.10 1p1a h LYS 30 Cb 0.21 0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1p1a h LYS 30 CO 0.00 1.35 0.12 0.93 -2.81 0.00 0.00 179.45 179.05 1p1a h GLU 31 N 0.12 1.00 0.00 1.90 5.08 -1.06 -3.31 114.58 118.32 1p1a h GLU 31 Ca -0.26 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1p1a h GLU 31 Cb 2.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1p1a h GLU 31 CO 0.23 0.92 -0.18 1.57 -1.00 0.00 0.00 179.01 180.56 1p1a h LYS 32 N 0.91 0.00 0.00 2.33 5.09 -1.57 -2.66 116.57 120.67 1p1a h LYS 32 Ca 0.19 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.79 1p1a h LYS 32 Cb 0.39 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.70 1p1a h LYS 32 CO 0.01 0.18 -0.70 -0.84 -2.09 0.00 0.00 179.45 176.01 1p1a h ILE 33 N 0.00 1.13 -0.31 0.07 -0.00 -1.70 -3.17 117.51 113.52 1p1a h ILE 33 Ca -0.00 -2.60 -0.01 0.00 -0.00 0.00 0.00 64.86 62.24 1p1a h ILE 33 Cb 0.41 2.55 -0.02 0.00 -0.00 0.00 0.00 36.82 39.76 1p1a h ILE 33 CO 0.02 0.64 0.13 -0.08 -0.00 0.00 0.00 178.15 178.87 1p1a h GLU 34 N 0.00 0.43 0.00 0.16 4.81 -1.59 -0.62 114.58 117.76 1p1a h GLU 34 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1p1a h GLU 34 Cb 1.52 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 1p1a h GLU 34 CO 0.09 0.35 -0.04 0.77 -0.73 0.00 0.00 179.01 179.45 1p1a h SER 35 N 0.43 0.00 0.00 1.04 0.02 -1.57 0.06 113.55 113.53 1p1a h SER 35 Ca 0.11 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.70 1p1a h SER 35 Cb 0.08 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 1p1a h SER 35 CO -0.01 0.04 -2.37 -0.62 -1.14 0.00 0.00 176.83 172.73 1p1a n GLU 36 N -3.47 0.74 0.00 3.45 1.02 -0.69 -4.77 120.64 116.93 1p1a n GLU 36 Ca -0.02 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1p1a n GLU 36 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.92 5.27 0.00 3.49 5.02 -0.33 -5.13 118.16 123.56 1p1a n LYS 37 Ca -0.37 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1p1a n LYS 37 Cb 1.07 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 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 0.77 0.09 0.42 0.72 0.00 0.00 -4.40 105.19 102.80 1p1a n GLY 38 Ca 0.00 -1.55 0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 0.21 0.00 1.61 1.63 -1.83 -0.46 116.57 117.73 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 0.14 0.00 -0.40 -3.45 0.00 0.00 179.45 175.74 1p1a n ASP 40 N -4.41 0.58 0.00 4.20 5.75 -1.26 -3.48 116.55 117.92 1p1a n ASP 40 Ca 0.18 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.59 1p1a n ASP 40 Cb 0.79 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1p1a n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p1a n ALA 41 N -1.73 1.14 -3.14 2.12 0.00 -0.90 -4.95 120.51 113.05 1p1a n ALA 41 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1p1a n ALA 41 Cb 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.86 0.65 -1.82 0.00 3.72 -0.23 -5.00 117.46 113.92 1p1a n PHE 42 Ca 0.00 -3.79 -0.42 0.00 -0.05 0.00 0.00 57.45 53.19 1p1a n PHE 42 Cb 0.12 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.58 4.17 0.29 -1.08 0.04 -1.23 -4.59 135.00 130.01 1p1a s PRO 43 Ca 0.40 2.44 0.03 0.00 0.04 0.00 0.00 61.00 63.92 1p1a s PRO 43 Cb 0.35 -3.81 0.64 0.00 0.04 0.00 0.00 34.50 31.73 1p1a s PRO 43 CO -0.08 -0.84 1.79 0.28 0.04 0.00 0.00 177.00 178.19 1p1a h VAL 44 N 5.12 0.76 0.00 -0.36 2.07 -1.90 -0.06 116.25 121.88 1p1a h VAL 44 Ca -0.45 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1p1a h VAL 44 Cb 1.21 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1p1a h VAL 44 CO 0.94 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.67 1p1a n ALA 45 N -2.36 1.48 -2.41 1.67 0.00 -1.26 -3.68 120.51 113.95 1p1a n ALA 45 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.70 1p1a n ALA 45 Cb 0.49 -1.26 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 -0.40 0.92 3.30 0.00 0.00 -0.12 -4.39 105.19 104.50 1p1a n GLY 46 Ca 0.02 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.02 1.19 0.05 1.61 -2.07 -0.71 -0.70 119.66 119.00 1p1a s GLN 47 Ca 0.28 -1.36 -0.01 0.00 -1.82 0.00 0.00 55.36 52.45 1p1a s GLN 47 Cb 0.32 -1.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.03 1p1a s GLN 47 CO -0.14 0.23 -0.03 0.15 -1.32 0.00 0.00 175.29 174.18 1p1a s LYS 48 N -2.80 0.62 0.02 9.60 1.02 0.23 -4.98 119.74 123.45 1p1a s LYS 48 Ca 0.14 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1p1a s LYS 48 Cb -0.05 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.42 1p1a s LYS 48 CO 0.05 -0.10 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.83 1p1a s LEU 49 N -2.91 2.21 -0.03 3.17 1.02 -1.26 -0.77 118.68 120.11 1p1a s LEU 49 Ca 0.07 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.78 1p1a s LEU 49 Cb 0.08 0.04 0.02 0.00 0.02 0.00 0.00 46.19 46.35 1p1a s LEU 49 CO -0.10 -0.25 -0.02 -0.63 0.02 0.00 0.00 176.35 175.37 1p1a s ILE 50 N -1.27 0.33 -1.06 -0.59 -1.09 -0.10 -3.12 121.20 114.30 1p1a s ILE 50 Ca -0.13 -0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.18 1p1a s ILE 50 Cb -0.09 -0.37 0.27 0.00 -1.58 0.00 0.00 42.46 40.70 1p1a s ILE 50 CO -0.01 0.16 1.08 0.00 -1.23 0.00 0.00 174.94 174.94 1p1a n TYR 51 N 3.83 4.75 -2.09 3.97 9.36 -0.76 -0.55 117.16 135.67 1p1a n TYR 51 Ca -0.23 -3.83 -0.15 0.00 3.32 0.00 0.00 57.90 57.00 1p1a n TYR 51 Cb 0.52 -1.53 -0.03 0.00 -0.63 0.00 0.00 39.34 37.68 1p1a n TYR 51 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1p1a n ALA 52 N 2.43 -0.56 0.00 2.98 0.00 -1.26 -2.77 120.51 121.33 1p1a n ALA 52 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1p1a n ALA 52 Cb 0.38 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.67 0.68 3.87 0.00 0.00 -1.26 -5.14 105.19 102.68 1p1a n GLY 53 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 3.48 -0.51 1.61 1.02 -1.12 -5.07 119.74 119.16 1p1a s LYS 54 Ca 0.00 -0.12 -0.16 0.00 0.02 0.00 0.00 55.97 55.71 1p1a s LYS 54 Cb 0.00 -3.20 0.10 0.00 -0.52 0.00 0.00 37.83 34.21 1p1a s LYS 54 CO 0.00 0.76 0.46 0.42 -0.92 0.00 0.00 175.35 176.07 1p1a s ILE 55 N -0.97 5.19 0.58 2.17 1.01 -1.26 -1.84 121.20 126.09 1p1a s ILE 55 Ca 0.15 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 1p1a s ILE 55 Cb -0.12 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1p1a s ILE 55 CO 0.04 -0.74 1.02 -0.76 0.00 0.00 0.00 174.94 174.50 1p1a s LEU 56 N 1.71 3.43 -0.07 2.97 1.43 -1.18 -5.05 118.68 121.92 1p1a s LEU 56 Ca 0.04 1.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1p1a s LEU 56 Cb -0.27 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.47 1p1a s LEU 56 CO 0.05 -0.87 -0.09 0.21 0.23 0.00 0.00 176.35 175.89 1p1a s ASN 57 N -3.43 1.69 0.00 2.29 2.47 -1.26 -4.82 114.94 111.89 1p1a s ASN 57 Ca 0.58 -0.26 0.06 0.00 0.42 0.00 0.00 52.86 53.67 1p1a s ASN 57 Cb -0.12 -0.74 0.31 0.00 -1.45 0.00 0.00 41.25 39.25 1p1a s ASN 57 CO 0.42 -0.03 1.01 0.47 -3.72 0.00 0.00 177.10 175.24 1p1a n ASP 58 N 4.19 0.00 -0.01 -4.21 8.00 -1.26 -2.31 116.55 120.94 1p1a n ASP 58 Ca -0.20 0.15 0.01 0.00 0.71 0.00 0.00 54.79 55.46 1p1a n ASP 58 Cb 0.51 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.25 1.99 -4.06 -2.24 2.03 -1.26 -4.13 116.55 107.64 1p1a n ASP 59 Ca 0.03 -2.13 -0.23 0.00 0.52 0.00 0.00 54.79 52.99 1p1a n ASP 59 Cb 0.04 -0.06 -0.16 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 -1.23 1.06 0.40 5.18 2.01 -0.98 -5.03 115.64 117.05 1p1a s THR 60 Ca 0.04 -0.51 -0.26 0.00 0.31 0.00 0.00 61.69 61.28 1p1a s THR 60 Cb 0.04 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.54 1p1a s THR 60 CO 0.00 0.32 1.23 0.00 -0.69 0.00 0.00 174.62 175.48 1p1a s ALA 61 N 0.14 3.19 0.33 7.40 0.00 -1.26 -3.29 121.76 128.27 1p1a s ALA 61 Ca -0.04 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1p1a s ALA 61 Cb -0.10 -3.43 0.57 0.00 0.00 0.00 0.00 23.12 20.16 1p1a s ALA 61 CO 0.01 -0.67 1.97 -0.07 0.00 0.00 0.00 175.76 177.00 1p1a h LEU 62 N 2.65 0.83 -2.47 0.00 3.38 -0.94 -1.84 115.31 116.92 1p1a h LEU 62 Ca -0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1p1a h LEU 62 Cb 1.24 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1p1a h LEU 62 CO 0.62 0.58 -0.02 0.07 0.09 0.00 0.00 178.44 179.78 1p1a h LYS 63 N 0.96 0.00 0.00 1.13 -0.00 -1.58 -2.66 116.57 114.43 1p1a h LYS 63 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.95 1p1a h LYS 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1p1a h LYS 63 CO -0.08 0.02 0.00 0.39 -0.00 0.00 0.00 179.45 179.78 1p1a n GLU 64 N -3.37 0.23 0.00 0.07 1.02 -0.69 -1.87 120.64 116.03 1p1a n GLU 64 Ca -0.02 0.25 0.14 0.00 -0.02 0.00 0.00 57.16 57.50 1p1a n GLU 64 Cb 0.14 -1.80 0.53 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.21 0.00 -4.01 -0.32 4.01 -1.00 -4.98 117.16 108.65 1p1a n TYR 65 Ca 0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 1p1a n TYR 65 Cb 0.38 -0.20 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.00 -3.89 -1.62 -0.72 5.02 -0.78 -4.98 118.16 110.18 1p1a n LYS 66 Ca 0.12 0.46 -0.34 0.00 -2.02 0.00 0.00 58.31 56.53 1p1a n LYS 66 Cb 0.30 -4.97 0.07 0.00 -0.02 0.00 0.00 35.03 30.41 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 -3.58 2.54 0.01 -0.18 1.01 -1.26 -5.06 121.20 114.68 1p1a s ILE 67 Ca 0.37 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.32 1p1a s ILE 67 Cb -0.20 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1p1a s ILE 67 CO 0.88 -0.13 -0.05 -0.62 0.00 0.00 0.00 174.94 175.02 1p1a s ASP 68 N -2.02 0.59 0.64 3.58 -1.08 -1.26 -5.02 116.67 112.11 1p1a s ASP 68 Ca 0.74 -0.25 0.43 0.00 -0.52 0.00 0.00 52.55 52.94 1p1a s ASP 68 Cb -0.28 -0.02 2.32 0.00 -1.46 0.00 0.00 42.92 43.48 1p1a s ASP 68 CO 0.42 -0.05 2.30 -0.33 0.52 0.00 0.00 175.17 178.03 1p1a h GLU 69 N 5.46 0.00 -0.35 4.34 5.08 -1.98 -2.06 114.58 125.08 1p1a h GLU 69 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1p1a h GLU 69 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1p1a h GLU 69 CO 0.47 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.11 1p1a n LYS 70 N -3.01 2.30 -4.67 2.33 4.76 -1.26 -4.77 118.16 113.84 1p1a n LYS 70 Ca -0.03 -2.03 -0.30 0.00 -2.87 0.00 0.00 58.31 53.09 1p1a n LYS 70 Cb 0.08 -1.36 -0.09 0.00 -1.84 0.00 0.00 35.03 31.82 1p1a n LYS 70 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1p1a s ASN 71 N -1.12 3.75 0.13 4.39 3.84 -0.78 -5.13 114.94 120.03 1p1a s ASN 71 Ca 0.29 -1.57 0.03 0.00 0.21 0.00 0.00 52.86 51.82 1p1a s ASN 71 Cb 0.16 0.25 -0.04 0.00 -0.55 0.00 0.00 41.25 41.07 1p1a s ASN 71 CO 0.22 -0.75 -0.08 0.72 -2.79 0.00 0.00 177.10 174.42 1p1a s PHE 72 N -2.92 1.12 0.10 0.43 -0.12 -1.26 -3.87 117.98 111.47 1p1a s PHE 72 Ca 0.18 -0.85 0.08 0.00 -0.05 0.00 0.00 56.93 56.29 1p1a s PHE 72 Cb 0.04 -0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1p1a s PHE 72 CO 0.09 -0.04 -0.20 0.08 -0.05 0.00 0.00 175.22 175.10 1p1a s VAL 73 N -3.47 1.68 -0.10 -2.49 1.01 -0.20 -4.35 120.40 112.48 1p1a s VAL 73 Ca 0.16 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.62 1p1a s VAL 73 Cb 0.04 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1p1a s VAL 73 CO -0.01 -0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.11 1p1a s VAL 74 N -1.21 2.41 -0.01 2.92 1.01 0.29 -0.55 120.40 125.26 1p1a s VAL 74 Ca 0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1p1a s VAL 74 Cb -0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1p1a s VAL 74 CO 0.04 0.55 0.11 0.68 0.00 0.00 0.00 175.10 176.49 1p1a s VAL 75 N 0.25 4.97 0.07 2.92 -7.23 -0.06 -0.92 120.40 120.39 1p1a s VAL 75 Ca -0.14 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1p1a s VAL 75 Cb -0.17 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 1p1a s VAL 75 CO 0.07 0.36 -0.04 -0.04 -0.31 0.00 0.00 175.10 175.14 1p1a s MET 76 N -1.75 0.69 0.00 4.82 -1.94 0.05 -2.93 119.30 118.25 1p1a s MET 76 Ca 0.24 -1.26 -0.00 0.00 -1.71 0.00 0.00 55.69 52.95 1p1a s MET 76 Cb -0.12 0.06 -0.00 0.00 2.01 0.00 0.00 34.83 36.77 1p1a s MET 76 CO 0.15 -0.08 -0.00 0.08 -0.01 0.00 0.00 175.02 175.16 1p1a s VAL 77 N -3.81 0.01 0.00 -6.03 1.01 -1.26 -0.60 120.40 109.71 1p1a s VAL 77 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1p1a s VAL 77 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 36.38 36.42 1p1a s VAL 77 CO -0.08 -0.04 0.11 0.35 0.00 0.00 0.00 175.10 175.44 1p1a n THR 78 N 2.96 0.00 0.00 3.92 -2.24 0.13 -5.00 114.28 114.05 1p1a n THR 78 Ca -0.13 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1p1a n THR 78 Cb 0.60 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 1p1a n THR 78 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1p1a n LYS 79 N -0.14 0.00 -1.58 -0.78 3.00 -1.06 -2.50 118.16 115.11 1p1a n LYS 79 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1p1a n LYS 79 Cb 0.10 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.27 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 0.00 1.00 0.00 1.64 0.04 -1.26 -4.43 135.00 131.98 1p1a s PRO 80 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1p1a s PRO 80 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1p1a s PRO 80 CO 0.00 -2.27 0.62 1.63 0.04 0.00 0.00 177.00 177.01 1p1a n LYS 81 N -3.80 0.69 -1.62 4.56 5.02 -1.04 -4.90 118.16 117.07 1p1a n LYS 81 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 1p1a n LYS 81 Cb 0.59 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 34.49 1p1a n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p1a n ALA 82 N -0.35 1.68 -2.66 7.82 0.00 -1.26 -4.98 120.51 120.76 1p1a n ALA 82 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1p1a n ALA 82 Cb 0.04 -2.81 -0.11 0.00 0.00 0.00 0.00 19.45 16.57 1p1a n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1p1a s VAL 83 N 6.64 0.15 0.48 0.00 0.11 -1.26 -5.16 120.40 121.36 1p1a s VAL 83 Ca 0.96 -1.23 -0.24 0.00 -2.93 0.00 0.00 61.98 58.54 1p1a s VAL 83 Cb -0.39 -0.74 -0.07 0.00 -1.53 0.00 0.00 36.38 33.65 1p1a s VAL 83 CO 0.39 -0.68 1.40 -0.55 -3.33 0.00 0.00 175.10 172.33 1p1a s SER 84 N -2.01 5.71 0.00 3.54 0.15 -1.26 -5.31 113.70 114.52 1p1a s SER 84 Ca -0.07 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.44 1p1a s SER 84 Cb -0.03 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1p1a s SER 84 CO -0.04 -1.28 0.00 1.07 1.20 0.00 0.00 173.24 174.19