#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py2 s PRO 5 N 0.00 3.00 0.00 0.00 0.04 -1.26 -4.82 135.00 131.96 2py2 s PRO 5 Ca 0.00 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2py2 s PRO 5 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2py2 s PRO 5 CO 0.00 -1.25 0.00 2.41 0.04 0.00 0.00 177.00 178.20 2py2 n THR 6 N -1.33 0.00 -0.68 1.26 -1.04 -1.26 -0.42 114.28 110.82 2py2 n THR 6 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2py2 n THR 6 Cb 0.47 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 69.29 2py2 n THR 6 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2py2 n ASP 7 N -0.29 4.76 -4.86 8.00 8.00 -1.26 -4.94 116.55 125.96 2py2 n ASP 7 Ca 0.00 -2.92 -0.31 0.00 0.71 0.00 0.00 54.79 52.28 2py2 n ASP 7 Cb 0.00 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 40.36 2py2 n ASP 7 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2py2 s TRP 8 N -2.57 3.39 -0.11 1.24 0.52 0.44 -4.84 118.94 117.01 2py2 s TRP 8 Ca 0.47 0.18 -0.02 0.00 0.02 0.00 0.00 56.10 56.75 2py2 s TRP 8 Cb 0.37 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 2py2 s TRP 8 CO 0.13 0.56 -0.03 0.21 0.02 0.00 0.00 176.95 177.83 2py2 s LYS 9 N -2.49 3.18 -0.02 4.98 2.36 0.17 -4.74 119.74 123.18 2py2 s LYS 9 Ca 0.33 -0.49 -0.18 0.00 -2.55 0.00 0.00 55.97 53.08 2py2 s LYS 9 Cb -0.13 -2.78 -0.05 0.00 -1.05 0.00 0.00 37.83 33.82 2py2 s LYS 9 CO 0.26 0.51 0.49 1.41 1.55 0.00 0.00 175.35 179.57 2py2 s MET 10 N -0.38 4.16 -0.25 4.03 -2.45 -1.26 0.15 119.30 123.31 2py2 s MET 10 Ca 0.06 0.54 -0.02 0.00 -1.25 0.00 0.00 55.69 55.02 2py2 s MET 10 Cb -0.12 -3.31 0.12 0.00 1.25 0.00 0.00 34.83 32.77 2py2 s MET 10 CO 0.02 0.47 0.30 0.12 1.05 0.00 0.00 175.02 176.98 2py2 s PHE 11 N -0.45 -0.52 -0.91 4.11 5.36 -0.18 -4.99 117.98 120.40 2py2 s PHE 11 Ca 0.26 0.27 -0.09 0.00 -0.96 0.00 0.00 56.93 56.41 2py2 s PHE 11 Cb -0.17 -0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.24 2py2 s PHE 11 CO 0.14 -0.75 0.61 0.09 -1.46 0.00 0.00 175.22 173.84 2py2 n ASN 12 N 5.33 -4.51 0.00 6.13 5.03 -1.26 -2.37 115.26 123.60 2py2 n ASN 12 Ca -0.04 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.37 2py2 n ASN 12 Cb 0.49 -1.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.69 2py2 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2py2 n GLY 13 N -1.74 1.32 3.14 7.41 0.00 -1.26 -5.02 105.19 109.04 2py2 n GLY 13 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 2py2 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2py2 s ARG 14 N -0.28 0.74 -0.08 1.61 0.52 -1.00 -1.17 118.95 119.29 2py2 s ARG 14 Ca 0.00 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 2py2 s ARG 14 Cb 0.00 -0.45 -0.02 0.00 0.52 0.00 0.00 34.95 35.00 2py2 s ARG 14 CO 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 175.30 175.27 2py2 s PHE 16 N -0.47 2.24 -0.08 0.00 0.08 0.12 -1.54 117.98 118.34 2py2 s PHE 16 Ca 0.06 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 2py2 s PHE 16 Cb -0.12 -1.18 0.04 0.00 -0.57 0.00 0.00 43.02 41.19 2py2 s PHE 16 CO 0.02 0.38 0.20 -1.17 -0.10 0.00 0.00 175.22 174.55 2py2 s LEU 17 N -2.26 0.74 -0.14 -0.37 2.96 -0.05 -0.66 118.68 118.92 2py2 s LEU 17 Ca 0.15 0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 54.28 2py2 s LEU 17 Cb -0.09 0.59 -0.04 0.00 0.50 0.00 0.00 46.19 47.15 2py2 s LEU 17 CO 0.07 -0.13 0.55 0.12 -1.32 0.00 0.00 176.35 175.64 2py2 s PHE 18 N 0.92 3.47 -0.41 5.38 5.36 -1.26 -0.26 117.98 131.18 2py2 s PHE 18 Ca -0.07 0.94 -0.07 0.00 -0.96 0.00 0.00 56.93 56.77 2py2 s PHE 18 Cb -0.08 -2.66 0.09 0.00 -0.34 0.00 0.00 43.02 40.02 2py2 s PHE 18 CO -0.05 0.05 0.24 1.21 -1.46 0.00 0.00 175.22 175.20 2py2 s ASN 19 N 0.85 5.52 0.49 6.13 3.04 0.46 -4.97 114.94 126.46 2py2 s ASN 19 Ca 0.28 -1.64 0.33 0.00 0.04 0.00 0.00 52.86 51.87 2py2 s ASN 19 Cb -0.16 -1.94 1.50 0.00 -1.54 0.00 0.00 41.25 39.11 2py2 s ASN 19 CO 0.12 -0.54 1.98 1.55 -3.04 0.00 0.00 177.10 177.16 2py2 h PRO 20 N 8.32 0.00 -6.53 0.43 0.13 -1.96 -1.25 132.00 131.14 2py2 h PRO 20 Ca -0.21 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.32 2py2 h PRO 20 Cb 1.07 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.30 2py2 h PRO 20 CO 0.74 0.00 0.38 -0.11 -0.23 0.00 0.00 178.00 178.79 2py2 n LEU 21 N -2.82 2.48 -4.49 1.56 7.94 -1.26 -4.51 117.00 115.89 2py2 n LEU 21 Ca -0.00 1.16 -0.43 0.00 -1.11 0.00 0.00 56.01 55.63 2py2 n LEU 21 Cb 0.21 -1.35 -0.04 0.00 0.53 0.00 0.00 43.42 42.76 2py2 n LEU 21 CO 0.22 -0.92 0.68 -1.10 -1.11 0.00 0.00 177.39 175.16 2py2 s GLN 22 N -0.98 3.25 0.09 1.96 -1.52 -1.26 -3.80 119.66 117.40 2py2 s GLN 22 Ca 0.64 -0.49 0.03 0.00 -1.95 0.00 0.00 55.36 53.60 2py2 s GLN 22 Cb -0.69 -4.10 -0.04 0.00 -0.22 0.00 0.00 33.01 27.97 2py2 s GLN 22 CO 0.55 -1.50 -0.09 -0.51 -0.25 0.00 0.00 175.29 173.49 2py2 s LEU 23 N 3.73 2.41 0.91 2.90 1.43 -0.61 -4.69 118.68 124.75 2py2 s LEU 23 Ca 0.26 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 2py2 s LEU 23 Cb -0.15 -0.25 0.14 0.00 0.03 0.00 0.00 46.19 45.96 2py2 s LEU 23 CO 0.16 -0.29 1.14 -1.38 0.23 0.00 0.00 176.35 176.21 2py2 s HIS 24 N -2.53 2.52 0.22 0.29 -3.43 -1.25 -1.44 115.29 109.65 2py2 s HIS 24 Ca 0.05 0.83 -0.09 0.00 -0.80 0.00 0.00 55.06 55.06 2py2 s HIS 24 Cb -0.02 -3.41 0.32 0.00 -1.43 0.00 0.00 32.58 28.04 2py2 s HIS 24 CO -0.01 -2.34 1.71 2.35 -2.00 0.00 0.00 174.74 174.46 2py2 h TRP 25 N -1.48 0.27 -0.62 0.38 7.01 -1.36 -1.54 115.95 118.61 2py2 h TRP 25 Ca -0.50 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.49 2py2 h TRP 25 Cb 1.33 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.34 2py2 h TRP 25 CO 0.25 -0.01 0.19 0.00 -2.79 0.00 0.00 178.44 176.09 2py2 h ALA 26 N 1.49 0.82 -0.09 2.65 0.00 -1.92 -1.33 119.26 120.87 2py2 h ALA 26 Ca 0.33 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2py2 h ALA 26 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2py2 h ALA 26 CO -0.40 0.49 -0.39 -0.44 0.00 0.00 0.00 179.25 178.51 2py2 h ASP 27 N 0.89 0.20 -0.37 0.00 3.32 -1.81 -0.82 116.42 117.83 2py2 h ASP 27 Ca 0.20 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2py2 h ASP 27 Cb 0.29 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2py2 h ASP 27 CO -0.01 0.58 -0.05 0.00 -1.72 0.00 0.00 179.24 178.04 2py2 h ALA 28 N 1.44 0.51 -0.36 3.45 0.00 -0.91 0.33 119.26 123.72 2py2 h ALA 28 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2py2 h ALA 28 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2py2 h ALA 28 CO 0.06 0.33 0.05 0.37 0.00 0.00 0.00 179.25 180.06 2py2 h GLN 29 N 0.50 0.60 -0.64 0.00 5.75 -1.04 -1.42 115.11 118.85 2py2 h GLN 29 Ca 0.10 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2py2 h GLN 29 Cb 0.55 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 2py2 h GLN 29 CO 0.03 0.68 0.41 0.93 -2.65 0.00 0.00 178.83 178.23 2py2 h GLU 30 N 0.43 0.85 -0.41 1.69 5.08 -0.99 -0.25 114.58 120.98 2py2 h GLU 30 Ca 0.11 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2py2 h GLU 30 Cb 0.38 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2py2 h GLU 30 CO 0.01 0.58 0.08 1.03 -1.00 0.00 0.00 179.01 179.70 2py2 h SER 31 N 0.88 0.64 -0.78 1.42 0.87 -0.54 -2.17 113.55 113.86 2py2 h SER 31 Ca 0.23 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2py2 h SER 31 Cb -0.08 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 2py2 h SER 31 CO -0.05 0.73 0.32 0.00 -0.53 0.00 0.00 176.83 177.30 2py2 h MET 33 N 1.14 0.00 0.00 0.00 2.07 -0.72 -0.25 114.93 117.16 2py2 h MET 33 Ca 0.26 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.88 2py2 h MET 33 Cb 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.94 2py2 h MET 33 CO -0.02 0.07 -0.07 0.87 1.07 0.00 0.00 176.91 178.83 2py2 h LYS 34 N 0.00 0.00 -0.51 1.72 1.57 -0.91 -1.69 116.57 116.75 2py2 h LYS 34 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2py2 h LYS 34 Cb 0.14 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 2py2 h LYS 34 CO 0.01 0.07 0.12 0.39 -0.57 0.00 0.00 179.45 179.47 2py2 n GLU 35 N -3.76 3.07 -1.76 3.15 -0.58 -0.23 -4.93 120.64 115.60 2py2 n GLU 35 Ca -0.02 -3.04 -0.15 0.00 -0.42 0.00 0.00 57.16 53.53 2py2 n GLU 35 Cb 0.17 -2.02 -0.04 0.00 -0.57 0.00 0.00 31.44 28.98 2py2 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2py2 n GLY 36 N -0.48 0.85 2.42 0.62 0.00 -0.63 -4.99 105.19 102.97 2py2 n GLY 36 Ca 0.33 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2py2 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2py2 n ALA 37 N 0.13 0.33 -2.22 4.61 0.00 -0.46 -4.84 120.51 118.05 2py2 n ALA 37 Ca -0.16 -1.51 -0.13 0.00 0.00 0.00 0.00 53.44 51.64 2py2 n ALA 37 Cb 0.54 0.89 -0.10 0.00 0.00 0.00 0.00 19.45 20.78 2py2 n ALA 37 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2py2 s ASN 38 N -2.84 1.43 0.36 0.00 0.01 -0.73 -2.65 114.94 110.52 2py2 s ASN 38 Ca 0.05 -1.05 -0.28 0.00 -0.71 0.00 0.00 52.86 50.87 2py2 s ASN 38 Cb 0.00 0.06 -0.11 0.00 0.41 0.00 0.00 41.25 41.61 2py2 s ASN 38 CO 0.04 -0.44 1.42 -0.76 -1.51 0.00 0.00 177.10 175.85 2py2 s LEU 39 N -3.13 4.36 0.61 0.60 1.43 -1.26 -1.03 118.68 120.26 2py2 s LEU 39 Ca 0.17 2.92 -0.19 0.00 -1.03 0.00 0.00 54.13 56.00 2py2 s LEU 39 Cb 0.04 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2py2 s LEU 39 CO -0.00 -0.75 1.28 0.00 0.23 0.00 0.00 176.35 177.10 2py2 s ALA 40 N -1.11 2.52 0.08 4.21 0.00 0.11 -3.67 121.76 123.89 2py2 s ALA 40 Ca 0.51 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.71 2py2 s ALA 40 Cb -0.44 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 2py2 s ALA 40 CO 0.59 -1.42 -0.03 -1.54 0.00 0.00 0.00 175.76 173.36 2py2 s SER 41 N -1.36 4.83 -0.07 0.00 1.04 -1.26 -0.50 113.70 116.38 2py2 s SER 41 Ca 0.79 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 57.03 2py2 s SER 41 Cb -0.36 -1.10 0.01 0.00 0.10 0.00 0.00 66.02 64.66 2py2 s SER 41 CO 0.39 0.19 -0.16 -0.63 0.98 0.00 0.00 173.24 174.01 2py2 s ILE 42 N -1.24 1.43 0.00 -1.02 1.01 -1.26 -5.04 121.20 115.07 2py2 s ILE 42 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2py2 s ILE 42 Cb -0.11 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.10 2py2 s ILE 42 CO 0.16 0.42 0.89 1.41 0.00 0.00 0.00 174.94 177.82 2py2 n HIS 43 N 3.56 0.00 -3.58 3.97 8.25 -1.26 -4.58 115.22 121.57 2py2 n HIS 43 Ca -0.21 -0.40 -0.05 0.00 -0.26 0.00 0.00 57.72 56.80 2py2 n HIS 43 Cb 0.52 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2py2 n HIS 43 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2py2 s SER 44 N -0.79 -0.24 0.34 0.41 1.04 -1.26 -4.66 113.70 108.54 2py2 s SER 44 Ca 0.00 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.39 2py2 s SER 44 Cb 0.00 0.31 0.63 0.00 0.10 0.00 0.00 66.02 67.05 2py2 s SER 44 CO 0.00 -0.52 1.94 0.25 0.98 0.00 0.00 173.24 175.89 2py2 h LEU 45 N 2.00 0.60 -0.33 2.42 5.85 -1.98 -1.05 115.31 122.82 2py2 h LEU 45 Ca -0.20 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2py2 h LEU 45 Cb 1.21 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2py2 h LEU 45 CO 0.27 0.54 0.19 -0.33 -0.34 0.00 0.00 178.44 178.77 2py2 h GLU 46 N 0.66 0.45 -0.46 1.25 3.07 -1.99 0.14 114.58 117.69 2py2 h GLU 46 Ca 0.16 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 2py2 h GLU 46 Cb 0.14 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2py2 h GLU 46 CO -0.02 0.37 -0.15 0.93 -1.40 0.00 0.00 179.01 178.75 2py2 h GLU 47 N 0.41 0.88 -0.27 2.33 5.08 -1.84 -1.93 114.58 119.25 2py2 h GLU 47 Ca 0.12 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2py2 h GLU 47 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2py2 h GLU 47 CO -0.02 0.97 0.16 1.03 -1.00 0.00 0.00 179.01 180.14 2py2 h SER 48 N 0.78 0.33 -0.80 1.42 0.87 -0.85 -0.08 113.55 115.22 2py2 h SER 48 Ca 0.12 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2py2 h SER 48 Cb 0.67 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 2py2 h SER 48 CO 0.05 0.29 0.47 0.74 -0.53 0.00 0.00 176.83 177.86 2py2 h THR 49 N 0.33 1.23 -0.01 2.23 2.02 -0.87 -1.16 112.91 116.68 2py2 h THR 49 Ca 0.10 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 2py2 h THR 49 Cb 0.03 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2py2 h THR 49 CO -0.02 0.24 0.01 0.15 0.37 0.00 0.00 175.52 176.27 2py2 h PHE 50 N 1.10 0.02 -0.96 3.16 3.57 -1.00 -2.71 116.94 120.13 2py2 h PHE 50 Ca 0.29 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.82 2py2 h PHE 50 Cb -0.02 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 2py2 h PHE 50 CO -0.00 0.19 0.63 0.28 -2.23 0.00 0.00 178.31 177.18 2py2 h VAL 51 N -0.16 1.18 -0.02 1.41 2.07 -0.75 -0.80 116.25 119.18 2py2 h VAL 51 Ca 0.00 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2py2 h VAL 51 Cb 0.18 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2py2 h VAL 51 CO -0.00 0.22 -0.00 0.11 0.02 0.00 0.00 177.57 177.92 2py2 h LYS 52 N 1.22 0.03 0.00 1.57 1.57 -1.02 -0.53 116.57 119.40 2py2 h LYS 52 Ca 0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2py2 h LYS 52 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2py2 h LYS 52 CO -0.11 0.04 0.00 0.93 -0.57 0.00 0.00 179.45 179.74 2py2 h GLU 53 N 0.03 0.00 -0.01 3.15 5.08 -0.82 -1.87 114.58 120.13 2py2 h GLU 53 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2py2 h GLU 53 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2py2 h GLU 53 CO 0.00 0.00 -0.56 1.28 -1.00 0.00 0.00 179.01 178.73 2py2 n LEU 54 N -2.63 1.11 -1.67 1.33 4.77 -0.21 -4.34 117.00 115.36 2py2 n LEU 54 Ca -0.01 -0.36 0.02 0.00 -0.03 0.00 0.00 56.01 55.63 2py2 n LEU 54 Cb 0.13 -0.10 0.30 0.00 -2.33 0.00 0.00 43.42 41.42 2py2 n LEU 54 CO 0.18 0.23 0.80 0.35 -1.33 0.00 0.00 177.39 177.61 2py2 n THR 55 N -0.95 2.29 -0.68 -5.08 -2.24 -0.70 -4.77 114.28 102.14 2py2 n THR 55 Ca 0.08 -1.17 0.09 0.00 -2.27 0.00 0.00 64.05 60.77 2py2 n THR 55 Cb 0.37 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 2py2 n THR 55 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2py2 n SER 56 N 0.34 -4.06 0.25 3.42 3.41 -1.26 -2.01 113.62 113.71 2py2 n SER 56 Ca 0.25 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.40 2py2 n SER 56 Cb 1.07 -2.17 0.60 0.00 -0.26 0.00 0.00 64.21 63.44 2py2 n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2py2 h ALA 57 N -0.65 1.87 0.00 7.33 0.00 -1.93 -1.64 119.26 124.24 2py2 h ALA 57 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2py2 h ALA 57 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2py2 h ALA 57 CO 0.02 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 2py2 n ASP 58 N -4.43 0.00 -3.73 0.00 8.00 -1.26 -4.94 116.55 110.19 2py2 n ASP 58 Ca -0.03 -0.76 -0.27 0.00 0.71 0.00 0.00 54.79 54.44 2py2 n ASP 58 Cb 0.15 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 2py2 n ASP 58 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2py2 n LEU 59 N -1.07 -2.43 -4.71 0.64 4.77 -0.62 -4.84 117.00 108.75 2py2 n LEU 59 Ca 0.21 -0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 2py2 n LEU 59 Cb 0.13 -2.03 -0.03 0.00 -2.33 0.00 0.00 43.42 39.17 2py2 n LEU 59 CO 0.18 0.29 1.41 -0.63 -1.33 0.00 0.00 177.39 177.31 2py2 s ILE 60 N -3.21 2.17 0.26 -0.08 1.01 -0.85 -4.86 121.20 115.63 2py2 s ILE 60 Ca 0.21 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.56 2py2 s ILE 60 Cb -0.10 -3.01 -0.12 0.00 0.01 0.00 0.00 42.46 39.24 2py2 s ILE 60 CO 0.89 0.00 1.55 -2.65 0.00 0.00 0.00 174.94 174.72 2py2 n PRO 61 N 4.54 2.45 -3.91 2.79 -0.02 -1.26 -4.77 135.00 134.82 2py2 n PRO 61 Ca 0.17 0.87 -0.10 0.00 -2.02 0.00 0.00 63.50 62.42 2py2 n PRO 61 Cb 0.36 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.11 2py2 n PRO 61 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2py2 s SER 62 N 0.54 0.10 0.36 2.55 0.01 -0.77 -3.73 113.70 112.75 2py2 s SER 62 Ca 0.68 -0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.41 2py2 s SER 62 Cb -0.56 0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.73 2py2 s SER 62 CO 0.46 -0.28 1.07 0.26 0.41 0.00 0.00 173.24 175.16 2py2 s TRP 63 N -1.18 3.35 0.32 2.43 0.23 0.18 -0.66 118.94 123.62 2py2 s TRP 63 Ca -0.13 1.66 0.05 0.00 -2.03 0.00 0.00 56.10 55.65 2py2 s TRP 63 Cb -0.07 -3.20 -0.06 0.00 0.03 0.00 0.00 33.47 30.16 2py2 s TRP 63 CO 0.00 -0.66 0.01 0.42 0.96 0.00 0.00 176.95 177.69 2py2 s ILE 64 N -1.47 1.48 -0.15 2.03 1.01 -0.96 -1.74 121.20 121.39 2py2 s ILE 64 Ca 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 59.14 2py2 s ILE 64 Cb -0.26 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2py2 s ILE 64 CO 0.33 -0.11 0.81 0.61 0.00 0.00 0.00 174.94 176.58 2py2 n GLY 65 N -0.69 1.68 3.53 6.18 0.00 0.34 -4.52 105.19 111.71 2py2 n GLY 65 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2py2 n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2py2 s GLY 66 N 0.83 1.72 0.15 -0.02 0.00 -1.26 -1.15 107.32 107.60 2py2 s GLY 66 Ca 0.00 -1.25 -0.23 0.00 0.00 0.00 0.00 44.72 43.24 2py2 s GLY 66 CO 0.00 -1.20 0.63 -0.51 0.00 0.00 0.00 173.10 172.02 2py2 s THR 67 N -1.13 0.00 -0.30 0.90 -4.23 -0.84 -0.94 115.64 109.11 2py2 s THR 67 Ca 0.19 -0.06 0.15 0.00 -1.18 0.00 0.00 61.69 60.79 2py2 s THR 67 Cb -0.11 -1.06 0.48 0.00 1.34 0.00 0.00 72.50 73.15 2py2 s THR 67 CO 0.11 0.00 1.12 -0.90 -0.54 0.00 0.00 174.62 174.40 2py2 n ASP 68 N -0.37 3.02 0.09 3.99 5.75 -0.85 -1.30 116.55 126.88 2py2 n ASP 68 Ca -0.16 -2.87 0.12 0.00 -0.01 0.00 0.00 54.79 51.87 2py2 n ASP 68 Cb 0.64 -0.44 0.45 0.00 -1.03 0.00 0.00 41.12 40.75 2py2 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2py2 h GLN 70 N 0.00 0.00 -4.06 0.00 7.50 -1.90 -3.46 115.11 113.19 2py2 h GLN 70 Ca 0.00 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.64 2py2 h GLN 70 Cb 0.48 0.00 -0.38 0.00 0.05 0.00 0.00 27.48 27.64 2py2 h GLN 70 CO 0.00 0.16 -0.79 0.08 -1.50 0.00 0.00 178.83 176.78 2py2 s VAL 71 N -2.09 0.88 0.10 -0.54 1.01 -1.25 -5.11 120.40 113.40 2py2 s VAL 71 Ca -0.13 -0.30 -0.36 0.00 0.00 0.00 0.00 61.98 61.19 2py2 s VAL 71 Cb 0.02 -1.00 -0.17 0.00 0.00 0.00 0.00 36.38 35.23 2py2 s VAL 71 CO 0.23 0.25 1.12 -0.24 0.00 0.00 0.00 175.10 176.47 2py2 n SER 72 N 4.98 0.75 0.00 3.32 2.88 -1.25 -1.28 113.62 123.02 2py2 n SER 72 Ca -0.11 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2py2 n SER 72 Cb 0.49 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2py2 n SER 72 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2py2 n THR 73 N 1.65 0.00 -3.39 2.46 -2.24 -1.26 -4.99 114.28 106.51 2py2 n THR 73 Ca 0.18 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.51 2py2 n THR 73 Cb 0.18 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 2py2 n THR 73 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2py2 s ARG 74 N -0.01 2.83 0.08 -0.78 1.81 -0.40 -5.06 118.95 117.42 2py2 s ARG 74 Ca 0.00 -1.73 -0.21 0.00 -1.72 0.00 0.00 55.73 52.06 2py2 s ARG 74 Cb 0.00 -4.18 -0.07 0.00 -0.45 0.00 0.00 34.95 30.25 2py2 s ARG 74 CO 0.00 -1.29 0.63 -1.58 -0.68 0.00 0.00 175.30 172.38 2py2 s TRP 75 N 1.51 3.81 0.02 -0.53 0.52 -1.26 -4.27 118.94 118.74 2py2 s TRP 75 Ca 0.04 1.36 0.01 0.00 0.02 0.00 0.00 56.10 57.53 2py2 s TRP 75 Cb -0.29 -2.59 -0.02 0.00 -1.15 0.00 0.00 33.47 29.43 2py2 s TRP 75 CO 0.02 0.52 -0.05 -0.06 0.02 0.00 0.00 176.95 177.39 2py2 s PHE 76 N -0.92 0.47 0.01 -1.98 0.08 -0.42 -4.81 117.98 110.40 2py2 s PHE 76 Ca 0.31 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 2py2 s PHE 76 Cb -0.20 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.91 2py2 s PHE 76 CO 0.21 -0.07 0.22 -1.58 -0.10 0.00 0.00 175.22 173.90 2py2 s TRP 77 N -0.90 3.55 -0.51 0.36 0.23 -1.26 -1.98 118.94 118.43 2py2 s TRP 77 Ca -0.07 0.44 0.24 0.00 -2.03 0.00 0.00 56.10 54.69 2py2 s TRP 77 Cb -0.07 -1.89 0.96 0.00 0.03 0.00 0.00 33.47 32.50 2py2 s TRP 77 CO -0.00 0.62 1.73 -1.33 0.96 0.00 0.00 176.95 178.93 2py2 n MET 78 N 0.94 0.21 -0.58 4.98 2.81 -0.30 -2.68 117.12 122.51 2py2 n MET 78 Ca -0.10 0.39 0.08 0.00 -1.81 0.00 0.00 57.70 56.25 2py2 n MET 78 Cb 0.53 -1.87 0.31 0.00 -0.71 0.00 0.00 33.22 31.48 2py2 n MET 78 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2py2 n ASP 79 N -2.26 4.31 -1.95 7.83 5.68 -1.26 -4.94 116.55 123.96 2py2 n ASP 79 Ca 0.03 -2.46 -0.20 0.00 -0.50 0.00 0.00 54.79 51.65 2py2 n ASP 79 Cb 0.27 -0.56 -0.05 0.00 -1.14 0.00 0.00 41.12 39.64 2py2 n ASP 79 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2py2 n SER 80 N 0.86 -5.57 -4.95 -1.12 3.41 -1.09 -5.00 113.62 100.15 2py2 n SER 80 Ca 0.22 0.28 -0.23 0.00 -0.26 0.00 0.00 58.87 58.88 2py2 n SER 80 Cb 0.83 -4.80 0.02 0.00 -0.26 0.00 0.00 64.21 60.00 2py2 n SER 80 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2py2 s THR 81 N -2.86 3.87 0.40 6.66 -4.23 -1.26 -5.04 115.64 113.18 2py2 s THR 81 Ca 0.00 -0.45 -0.24 0.00 -1.18 0.00 0.00 61.69 59.82 2py2 s THR 81 Cb 0.00 -3.44 -0.09 0.00 1.34 0.00 0.00 72.50 70.31 2py2 s THR 81 CO 0.00 -0.33 1.04 -0.55 -0.54 0.00 0.00 174.62 174.24 2py2 s SER 82 N -4.24 6.79 -1.05 3.99 0.15 -1.26 -4.39 113.70 113.70 2py2 s SER 82 Ca 0.50 2.02 -0.19 0.00 0.70 0.00 0.00 55.95 58.97 2py2 s SER 82 Cb -0.10 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 61.73 2py2 s SER 82 CO 0.39 -0.46 1.36 -0.04 1.20 0.00 0.00 173.24 175.69 2py2 s MET 83 N -2.50 3.72 0.00 5.44 -1.94 -1.26 -4.69 119.30 118.07 2py2 s MET 83 Ca 0.57 -1.69 0.04 0.00 -1.71 0.00 0.00 55.69 52.91 2py2 s MET 83 Cb -0.21 -5.17 0.09 0.00 2.01 0.00 0.00 34.83 31.54 2py2 s MET 83 CO 0.27 -1.99 0.93 -0.40 -0.01 0.00 0.00 175.02 173.82 2py2 n ASP 84 N 7.47 2.00 -3.64 3.03 5.68 -1.26 -5.02 116.55 124.81 2py2 n ASP 84 Ca 0.32 -1.71 -0.15 0.00 -0.50 0.00 0.00 54.79 52.75 2py2 n ASP 84 Cb 0.48 -0.06 -0.08 0.00 -1.14 0.00 0.00 41.12 40.33 2py2 n ASP 84 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2py2 s TYR 85 N -0.77 -0.53 -0.00 2.11 5.04 -1.26 -4.98 117.35 116.95 2py2 s TYR 85 Ca 0.08 1.08 -0.15 0.00 -2.44 0.00 0.00 57.07 55.64 2py2 s TYR 85 Cb 0.04 0.26 0.02 0.00 0.35 0.00 0.00 41.96 42.63 2py2 s TYR 85 CO 0.06 -0.43 0.32 0.00 -1.34 0.00 0.00 175.55 174.16 2py2 s ALA 86 N -0.62 -0.79 -0.41 3.97 0.00 -1.26 -4.87 121.76 117.78 2py2 s ALA 86 Ca -0.07 0.28 0.10 0.00 0.00 0.00 0.00 51.96 52.27 2py2 s ALA 86 Cb -0.03 0.13 0.42 0.00 0.00 0.00 0.00 23.12 23.65 2py2 s ALA 86 CO 0.05 -0.30 1.01 -3.47 0.00 0.00 0.00 175.76 173.05 2py2 n ASP 87 N 1.10 3.27 -4.77 0.00 2.03 -1.26 -5.08 116.55 111.84 2py2 n ASP 87 Ca -0.21 -3.31 -0.41 0.00 0.52 0.00 0.00 54.79 51.38 2py2 n ASP 87 Cb 0.57 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 40.45 2py2 n ASP 87 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2py2 s TRP 88 N -3.31 2.86 0.93 -0.67 0.52 -1.26 -0.22 118.94 117.80 2py2 s TRP 88 Ca 0.40 1.27 -0.12 0.00 0.02 0.00 0.00 56.10 57.68 2py2 s TRP 88 Cb 0.41 -3.83 0.15 0.00 -1.15 0.00 0.00 33.47 29.05 2py2 s TRP 88 CO -0.10 -2.39 1.09 0.00 0.02 0.00 0.00 176.95 175.57 2py2 s ALA 90 N -2.94 3.70 0.00 0.00 0.00 -1.26 -1.48 121.76 119.78 2py2 s ALA 90 Ca 0.64 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.19 2py2 s ALA 90 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2py2 s ALA 90 CO 0.57 -1.02 0.00 0.00 0.00 0.00 0.00 175.76 175.31 2py2 n ALA 91 N 1.64 0.00 -2.72 0.00 0.00 -1.26 -5.02 120.51 113.15 2py2 n ALA 91 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 2py2 n ALA 91 Cb 0.38 -0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 2py2 n ALA 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2py2 s GLN 92 N -0.16 2.65 0.42 0.00 -1.52 -0.55 -4.34 119.66 116.16 2py2 s GLN 92 Ca 0.00 -0.88 -0.08 0.00 -1.95 0.00 0.00 55.36 52.45 2py2 s GLN 92 Cb 0.00 -2.56 -0.05 0.00 -0.22 0.00 0.00 33.01 30.18 2py2 s GLN 92 CO 0.00 0.51 0.75 -1.25 -0.25 0.00 0.00 175.29 175.05 2py2 s PRO 93 N -2.63 3.68 0.18 2.91 0.04 -1.26 -4.65 135.00 133.26 2py2 s PRO 93 Ca 0.28 0.31 0.09 0.00 0.04 0.00 0.00 61.00 61.72 2py2 s PRO 93 Cb -0.11 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 2py2 s PRO 93 CO 0.20 -0.06 1.39 -0.44 0.04 0.00 0.00 177.00 178.12 2py2 h ASP 94 N 0.94 0.00 0.00 6.66 3.32 -1.90 -3.48 116.42 121.97 2py2 h ASP 94 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2py2 h ASP 94 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2py2 h ASP 94 CO 0.63 0.83 0.00 0.35 -1.72 0.00 0.00 179.24 179.34 2py2 n THR 95 N -3.43 0.00 -2.22 0.35 -2.24 -1.26 -5.01 114.28 100.47 2py2 n THR 95 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2py2 n THR 95 Cb 0.83 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2py2 n THR 95 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2py2 s THR 96 N -2.11 2.94 0.41 4.28 2.01 -1.26 -4.46 115.64 117.44 2py2 s THR 96 Ca 0.00 0.94 0.36 0.00 0.31 0.00 0.00 61.69 63.30 2py2 s THR 96 Cb 0.00 -3.60 0.38 0.00 0.01 0.00 0.00 72.50 69.30 2py2 s THR 96 CO 0.00 0.22 2.16 -0.07 -0.69 0.00 0.00 174.62 176.24 2py2 h LEU 97 N 3.53 0.00 0.00 4.42 3.38 -1.95 -2.29 115.31 122.40 2py2 h LEU 97 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2py2 h LEU 97 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2py2 h LEU 97 CO 0.66 0.04 0.00 0.35 0.09 0.00 0.00 178.44 179.58 2py2 n THR 98 N -3.26 0.44 -3.15 0.22 -2.24 -1.26 -3.73 114.28 101.30 2py2 n THR 98 Ca -0.01 0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.67 2py2 n THR 98 Cb 0.20 -0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 2py2 n THR 98 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2py2 n GLU 99 N -1.47 0.83 -0.10 -0.78 0.28 -0.86 -4.07 120.64 114.47 2py2 n GLU 99 Ca 0.06 -3.17 0.12 0.00 -0.16 0.00 0.00 57.16 54.01 2py2 n GLU 99 Cb 0.25 -1.42 0.16 0.00 1.43 0.00 0.00 31.44 31.86 2py2 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2py2 s ILE 102 N -1.09 4.96 -0.08 0.00 1.01 -0.12 -0.04 121.20 125.83 2py2 s ILE 102 Ca 0.18 1.65 0.03 0.00 0.00 0.00 0.00 60.65 62.51 2py2 s ILE 102 Cb -0.12 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2py2 s ILE 102 CO 0.07 0.17 -0.16 -1.58 0.00 0.00 0.00 174.94 173.44 2py2 s GLN 103 N 1.21 2.87 0.45 2.79 0.74 -0.47 -2.28 119.66 124.97 2py2 s GLN 103 Ca 0.41 -0.74 0.07 0.00 0.05 0.00 0.00 55.36 55.16 2py2 s GLN 103 Cb -0.18 -2.43 -0.01 0.00 1.10 0.00 0.00 33.01 31.49 2py2 s GLN 103 CO 0.19 0.40 0.39 0.00 -0.55 0.00 0.00 175.29 175.72 2py2 s MET 104 N -0.16 2.44 -1.36 1.67 0.23 0.17 -1.19 119.30 121.10 2py2 s MET 104 Ca -0.01 -1.66 -0.04 0.00 -1.03 0.00 0.00 55.69 52.94 2py2 s MET 104 Cb -0.14 -2.31 0.00 0.00 -1.53 0.00 0.00 34.83 30.86 2py2 s MET 104 CO 0.03 -0.31 0.59 0.09 -2.03 0.00 0.00 175.02 173.40 2py2 n ASN 105 N -1.61 -5.64 -4.87 -1.18 5.03 -1.04 -1.86 115.26 104.10 2py2 n ASN 105 Ca 0.03 -0.28 -0.36 0.00 0.87 0.00 0.00 54.58 54.84 2py2 n ASN 105 Cb 0.62 -4.45 -0.06 0.00 -1.02 0.00 0.00 39.78 34.88 2py2 n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2py2 s VAL 106 N -3.12 5.34 0.08 2.41 1.01 -0.12 -4.03 120.40 121.96 2py2 s VAL 106 Ca 0.29 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2py2 s VAL 106 Cb -0.13 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2py2 s VAL 106 CO 0.36 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.59 2py2 n GLY 107 N 1.63 -1.70 0.32 4.51 0.00 -1.26 -1.57 105.19 107.12 2py2 n GLY 107 Ca -0.16 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.65 2py2 n GLY 107 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2py2 h ILE 108 N -0.34 1.14 -0.00 -0.61 3.07 -2.00 -2.01 117.51 116.76 2py2 h ILE 108 Ca 0.01 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2py2 h ILE 108 Cb 0.33 0.44 0.00 0.00 -0.27 0.00 0.00 36.82 37.32 2py2 h ILE 108 CO 0.00 0.14 -0.15 0.61 -1.05 0.00 0.00 178.15 177.70 2py2 n GLY 109 N -1.40 -0.98 3.71 0.16 0.00 -1.26 -4.95 105.19 100.48 2py2 n GLY 109 Ca 0.04 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 2py2 n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2py2 n LYS 110 N -1.01 -2.95 -1.36 1.61 4.76 -0.72 -4.94 118.16 113.55 2py2 n LYS 110 Ca 0.13 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2py2 n LYS 110 Cb 0.30 -4.69 0.00 0.00 -1.84 0.00 0.00 35.03 28.80 2py2 n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2py2 s TRP 112 N -0.09 3.60 -0.02 0.00 0.52 0.70 -0.94 118.94 122.70 2py2 s TRP 112 Ca 0.00 0.87 -0.01 0.00 0.02 0.00 0.00 56.10 56.98 2py2 s TRP 112 Cb 0.00 -2.22 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 2py2 s TRP 112 CO 0.00 0.51 0.04 1.21 0.02 0.00 0.00 176.95 178.73 2py2 s ASN 113 N -1.70 0.01 0.09 2.95 3.84 -0.33 -1.14 114.94 118.66 2py2 s ASN 113 Ca 0.33 0.07 -0.28 0.00 0.21 0.00 0.00 52.86 53.20 2py2 s ASN 113 Cb -0.14 0.01 -0.06 0.00 -0.55 0.00 0.00 41.25 40.51 2py2 s ASN 113 CO 0.18 -0.08 0.88 1.51 -2.79 0.00 0.00 177.10 176.81 2py2 s ASP 114 N 0.59 7.40 0.09 -4.21 -4.77 -1.26 -1.37 116.67 113.14 2py2 s ASP 114 Ca -0.05 1.67 -0.03 0.00 -3.30 0.00 0.00 52.55 50.84 2py2 s ASP 114 Cb -0.07 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 2py2 s ASP 114 CO -0.02 -0.02 0.07 0.42 0.70 0.00 0.00 175.17 176.33 2py2 s THR 115 N -0.10 0.15 -0.05 2.11 -4.23 0.94 -4.82 115.64 109.64 2py2 s THR 115 Ca 0.43 -1.66 -0.37 0.00 -1.18 0.00 0.00 61.69 58.91 2py2 s THR 115 Cb -0.22 -1.66 -0.15 0.00 1.34 0.00 0.00 72.50 71.80 2py2 s THR 115 CO 0.27 -0.70 1.59 -2.65 -0.54 0.00 0.00 174.62 172.59 2py2 n PRO 116 N -0.02 1.45 0.25 3.99 -0.02 -1.26 -2.38 135.00 137.01 2py2 n PRO 116 Ca -0.11 0.53 0.17 0.00 -2.02 0.00 0.00 63.50 62.07 2py2 n PRO 116 Cb 0.62 -2.23 0.82 0.00 -0.02 0.00 0.00 33.50 32.69 2py2 n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2py2 n THR 118 N -2.76 0.02 -2.16 0.00 -2.24 -1.26 -1.33 114.28 104.55 2py2 n THR 118 Ca -0.01 0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 2py2 n THR 118 Cb 0.15 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 67.86 2py2 n THR 118 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2py2 s HIS 119 N -2.77 2.89 -0.15 4.78 3.76 -0.86 -4.66 115.29 118.28 2py2 s HIS 119 Ca 0.22 1.48 -0.20 0.00 -0.15 0.00 0.00 55.06 56.41 2py2 s HIS 119 Cb 0.19 -3.53 -0.03 0.00 1.11 0.00 0.00 32.58 30.32 2py2 s HIS 119 CO 0.49 -1.76 0.58 -0.51 -0.85 0.00 0.00 174.74 172.69 2py2 s LEU 120 N -2.59 4.21 0.17 0.89 2.01 -1.26 -3.94 118.68 118.17 2py2 s LEU 120 Ca 0.59 0.87 -0.12 0.00 0.01 0.00 0.00 54.13 55.47 2py2 s LEU 120 Cb -0.34 -2.84 0.01 0.00 0.01 0.00 0.00 46.19 43.02 2py2 s LEU 120 CO 0.43 -0.16 0.36 -1.00 1.01 0.00 0.00 176.35 177.00 2py2 s HIS 121 N 1.33 0.19 1.13 0.29 3.76 -0.52 -4.75 115.29 116.72 2py2 s HIS 121 Ca 0.29 -0.55 -0.19 0.00 -0.15 0.00 0.00 55.06 54.46 2py2 s HIS 121 Cb -0.16 0.11 0.27 0.00 1.11 0.00 0.00 32.58 33.91 2py2 s HIS 121 CO 0.12 -0.78 1.22 -1.12 -0.85 0.00 0.00 174.74 173.32 2py2 s SER 122 N -2.92 1.58 0.17 1.40 0.01 -1.24 -1.57 113.70 111.11 2py2 s SER 122 Ca 0.13 0.37 -0.15 0.00 1.31 0.00 0.00 55.95 57.61 2py2 s SER 122 Cb 0.02 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.84 2py2 s SER 122 CO -0.02 -3.69 0.43 -0.94 0.41 0.00 0.00 173.24 169.43 2py2 s SER 123 N -4.41 -0.17 -0.18 2.44 1.04 -0.47 -0.65 113.70 111.30 2py2 s SER 123 Ca 0.74 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 2py2 s SER 123 Cb -0.05 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 2py2 s SER 123 CO 0.55 -0.96 -0.07 -0.63 0.98 0.00 0.00 173.24 173.11 2py2 s ILE 124 N -3.88 3.44 0.13 -1.02 -1.09 -0.71 -0.40 121.20 117.66 2py2 s ILE 124 Ca 0.10 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 58.08 2py2 s ILE 124 Cb 0.01 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 2py2 s ILE 124 CO -0.04 0.47 -0.00 0.00 -1.23 0.00 0.00 174.94 174.13 2py2 s ALA 126 N -1.50 -0.93 -0.02 0.00 0.00 -0.20 -0.87 121.76 118.24 2py2 s ALA 126 Ca 0.26 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 2py2 s ALA 126 Cb -0.11 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.28 2py2 s ALA 126 CO 0.18 -0.36 0.64 -1.59 0.00 0.00 0.00 175.76 174.63 2py2 s LYS 127 N -1.92 1.06 0.63 0.00 -2.85 -0.59 -1.77 119.74 114.30 2py2 s LYS 127 Ca -0.09 0.14 -0.18 0.00 -1.00 0.00 0.00 55.97 54.84 2py2 s LYS 127 Cb -0.02 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2py2 s LYS 127 CO 0.01 -0.35 1.23 -1.25 0.10 0.00 0.00 175.35 175.10 2py2 s PRO 128 N -1.50 2.74 0.29 1.78 0.04 -1.26 -0.24 135.00 136.84 2py2 s PRO 128 Ca -0.10 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2py2 s PRO 128 Cb -0.00 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 2py2 s PRO 128 CO 0.07 -1.41 1.11 -1.17 0.04 0.00 0.00 177.00 175.64 2py2 s LEU 129 N -4.31 4.52 0.00 -3.56 2.96 -0.32 -4.70 118.68 113.27 2py2 s LEU 129 Ca 0.79 2.28 0.29 0.00 -0.22 0.00 0.00 54.13 57.27 2py2 s LEU 129 Cb -0.32 -3.67 1.36 0.00 0.50 0.00 0.00 46.19 44.07 2py2 s LEU 129 CO 0.37 -0.19 1.92 0.29 -1.32 0.00 0.00 176.35 177.42