#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e9f s PHE 8 N 0.00 2.80 0.10 -0.32 2.99 -1.26 -4.76 117.98 117.54 3e9f s PHE 8 Ca 0.00 -2.37 0.06 0.00 0.00 0.00 0.00 56.93 54.63 3e9f s PHE 8 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 43.02 40.68 3e9f s PHE 8 CO 0.00 -0.90 -0.05 0.00 -0.00 0.00 0.00 175.22 174.26 3e9f s ALA 9 N 1.24 3.11 0.10 5.36 0.00 -1.26 -5.05 121.76 125.26 3e9f s ALA 9 Ca 0.09 -1.20 -0.34 0.00 0.00 0.00 0.00 51.96 50.51 3e9f s ALA 9 Cb -0.18 -1.02 -0.13 0.00 0.00 0.00 0.00 23.12 21.78 3e9f s ALA 9 CO -0.15 0.66 1.67 1.28 0.00 0.00 0.00 175.76 179.22 3e9f n LEU 10 N 0.60 3.24 0.00 0.00 4.77 -1.26 -0.79 117.00 123.55 3e9f n LEU 10 Ca -0.12 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 3e9f n LEU 10 Cb 0.52 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3e9f n LEU 10 CO 0.36 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3e9f n GLY 11 N 3.70 1.10 3.94 -0.72 0.00 0.15 -5.02 105.19 108.34 3e9f n GLY 11 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3e9f n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3e9f s GLY 12 N -1.99 1.72 0.31 -0.02 0.00 0.03 -4.68 107.32 102.70 3e9f s GLY 12 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 44.72 43.62 3e9f s GLY 12 CO 0.00 -0.66 0.63 -1.60 0.00 0.00 0.00 173.10 171.47 3e9f s ARG 13 N -5.08 3.73 0.34 2.90 3.52 -1.26 -0.80 118.95 122.29 3e9f s ARG 13 Ca 0.59 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 56.29 3e9f s ARG 13 Cb -0.11 -2.56 0.03 0.00 -1.56 0.00 0.00 34.95 30.76 3e9f s ARG 13 CO 0.43 0.16 0.67 0.00 -0.81 0.00 0.00 175.30 175.75 3e9f s LEU 15 N -3.06 2.70 -0.03 0.00 1.43 -0.10 -0.68 118.68 118.94 3e9f s LEU 15 Ca 0.18 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3e9f s LEU 15 Cb -0.04 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.63 3e9f s LEU 15 CO 0.12 0.23 0.07 0.00 0.23 0.00 0.00 176.35 177.00 3e9f s ALA 16 N -1.01 -0.13 0.20 4.21 0.00 0.30 -0.12 121.76 125.20 3e9f s ALA 16 Ca 0.16 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 3e9f s ALA 16 Cb -0.11 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 3e9f s ALA 16 CO 0.07 -0.06 1.30 -0.06 0.00 0.00 0.00 175.76 177.01 3e9f s PHE 17 N 0.39 3.27 -0.25 0.00 0.40 -0.01 -1.09 117.98 120.68 3e9f s PHE 17 Ca -0.03 1.24 -0.04 0.00 -0.60 0.00 0.00 56.93 57.50 3e9f s PHE 17 Cb -0.04 -3.59 0.09 0.00 0.51 0.00 0.00 43.02 39.98 3e9f s PHE 17 CO -0.01 -1.82 0.11 -1.58 0.70 0.00 0.00 175.22 172.61 3e9f s HIS 18 N 0.09 0.53 0.00 0.36 2.46 -0.39 -4.93 115.29 113.40 3e9f s HIS 18 Ca 0.56 -0.84 0.00 0.00 0.47 0.00 0.00 55.06 55.25 3e9f s HIS 18 Cb -0.36 -0.96 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 3e9f s HIS 18 CO 0.38 -0.73 0.00 0.41 -2.47 0.00 0.00 174.74 172.33 3e9f n GLY 19 N 5.19 0.35 0.09 1.59 0.00 -1.26 -3.73 105.19 107.42 3e9f n GLY 19 Ca -0.06 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.22 3e9f n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3e9f n PRO 20 N 0.76 0.18 -4.03 1.61 -0.04 -1.26 -4.87 135.00 127.35 3e9f n PRO 20 Ca 0.00 0.27 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 3e9f n PRO 20 Cb 0.00 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 3e9f n PRO 20 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3e9f s LEU 21 N -4.16 3.57 0.02 1.53 1.43 -1.24 -4.98 118.68 114.85 3e9f s LEU 21 Ca 0.08 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3e9f s LEU 21 Cb 0.12 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3e9f s LEU 21 CO 0.48 -0.19 0.03 -0.04 0.23 0.00 0.00 176.35 176.86 3e9f s MET 22 N -3.88 2.84 0.01 1.70 -1.94 -1.26 -1.26 119.30 115.51 3e9f s MET 22 Ca 0.36 -0.62 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 3e9f s MET 22 Cb -0.06 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 3e9f s MET 22 CO 0.24 0.61 -0.04 0.71 -0.01 0.00 0.00 175.02 176.54 3e9f s TYR 23 N -1.18 0.35 0.28 -0.03 1.51 -0.25 -4.91 117.35 113.11 3e9f s TYR 23 Ca 0.22 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.75 3e9f s TYR 23 Cb -0.12 -0.22 -0.10 0.00 -0.11 0.00 0.00 41.96 41.41 3e9f s TYR 23 CO 0.14 -0.06 1.36 -2.00 -1.11 0.00 0.00 175.55 173.88 3e9f s GLU 24 N -0.66 4.33 0.19 -0.62 2.12 -1.26 -0.54 118.70 122.25 3e9f s GLU 24 Ca -0.05 2.22 -0.03 0.00 0.36 0.00 0.00 54.97 57.48 3e9f s GLU 24 Cb -0.05 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3e9f s GLU 24 CO -0.00 -0.29 0.17 0.00 -0.54 0.00 0.00 175.26 174.60 3e9f s ALA 25 N -0.53 0.81 -0.04 6.30 0.00 0.15 -1.10 121.76 127.35 3e9f s ALA 25 Ca 0.54 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 51.09 3e9f s ALA 25 Cb -0.40 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 3e9f s ALA 25 CO 0.47 -0.60 -0.22 0.21 0.00 0.00 0.00 175.76 175.61 3e9f s LYS 26 N -4.10 2.08 -0.29 0.00 2.20 0.03 -1.35 119.74 118.31 3e9f s LYS 26 Ca 0.31 -0.80 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 3e9f s LYS 26 Cb 0.06 -1.87 0.01 0.00 -1.51 0.00 0.00 37.83 34.51 3e9f s LYS 26 CO 0.08 0.40 0.91 0.42 -0.36 0.00 0.00 175.35 176.80 3e9f s ILE 27 N -0.28 4.71 -0.21 5.43 1.01 0.02 -1.20 121.20 130.67 3e9f s ILE 27 Ca 0.02 1.54 0.15 0.00 0.00 0.00 0.00 60.65 62.36 3e9f s ILE 27 Cb -0.11 -4.24 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 3e9f s ILE 27 CO 0.01 -0.27 0.01 0.18 0.00 0.00 0.00 174.94 174.87 3e9f n LEU 28 N 6.36 0.63 -3.88 2.97 4.77 0.72 0.31 117.00 128.88 3e9f n LEU 28 Ca 0.08 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3e9f n LEU 28 Cb 0.47 0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 3e9f n LEU 28 CO 0.52 0.59 -0.16 -0.54 -1.33 0.00 0.00 177.39 176.47 3e9f s LYS 29 N -2.49 0.59 -0.11 3.23 1.02 -1.03 -1.52 119.74 119.43 3e9f s LYS 29 Ca -0.15 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3e9f s LYS 29 Cb 0.07 0.24 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 3e9f s LYS 29 CO 0.78 -0.15 -0.09 0.42 -0.92 0.00 0.00 175.35 175.38 3e9f s ILE 30 N -2.20 1.11 -0.14 2.17 1.01 -0.21 -1.37 121.20 121.56 3e9f s ILE 30 Ca -0.08 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 3e9f s ILE 30 Cb -0.03 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 3e9f s ILE 30 CO -0.02 0.37 0.25 0.86 0.00 0.00 0.00 174.94 176.40 3e9f s TRP 31 N 1.44 3.51 -0.38 3.97 -0.11 0.22 -1.08 118.94 126.51 3e9f s TRP 31 Ca 0.00 0.58 -0.13 0.00 1.22 0.00 0.00 56.10 57.78 3e9f s TRP 31 Cb -0.13 -2.23 0.02 0.00 -1.50 0.00 0.00 33.47 29.62 3e9f s TRP 31 CO -0.06 0.39 0.25 0.34 -4.62 0.00 0.00 176.95 173.25 3e9f s ASP 32 N -0.01 5.92 0.49 5.86 -1.08 -0.34 -2.79 116.67 124.72 3e9f s ASP 32 Ca 0.15 -0.85 0.28 0.00 -0.52 0.00 0.00 52.55 51.62 3e9f s ASP 32 Cb -0.13 -2.09 1.14 0.00 -1.46 0.00 0.00 42.92 40.37 3e9f s ASP 32 CO 0.04 -0.38 1.91 1.55 0.52 0.00 0.00 175.17 178.81 3e9f h PRO 33 N 8.52 0.00 -0.01 4.34 0.13 -1.82 -0.05 132.00 143.11 3e9f h PRO 33 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3e9f h PRO 33 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3e9f h PRO 33 CO 0.69 0.12 -0.06 0.77 -0.23 0.00 0.00 178.00 179.28 3e9f h SER 34 N 0.00 0.07 1.35 1.44 0.02 -1.91 -3.26 113.55 111.25 3e9f h SER 34 Ca -0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 3e9f h SER 34 Cb 0.62 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3e9f h SER 34 CO 0.02 0.78 -0.07 -1.54 -1.14 0.00 0.00 176.83 174.88 3e9f n SER 35 N -4.68 0.70 -3.80 3.07 3.41 -1.22 -4.96 113.62 106.15 3e9f n SER 35 Ca -0.09 0.51 -0.25 0.00 -0.26 0.00 0.00 58.87 58.78 3e9f n SER 35 Cb 0.39 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3e9f n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3e9f n LYS 36 N -2.15 -5.23 -3.98 4.33 5.02 -0.04 -5.00 118.16 111.11 3e9f n LYS 36 Ca 0.06 0.61 -0.09 0.00 -2.02 0.00 0.00 58.31 56.87 3e9f n LYS 36 Cb 0.42 -5.32 -0.11 0.00 -0.02 0.00 0.00 35.03 30.00 3e9f n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3e9f s MET 37 N -6.28 0.33 0.23 1.97 -1.94 -1.15 -4.37 119.30 108.09 3e9f s MET 37 Ca 0.30 -0.63 0.09 0.00 -1.71 0.00 0.00 55.69 53.75 3e9f s MET 37 Cb -0.15 0.12 -0.04 0.00 2.01 0.00 0.00 34.83 36.77 3e9f s MET 37 CO 0.82 -0.06 -0.07 1.52 -0.01 0.00 0.00 175.02 177.23 3e9f s TYR 38 N -1.57 2.63 0.07 -0.03 -0.85 0.66 -1.20 117.35 117.07 3e9f s TYR 38 Ca -0.15 -0.23 0.02 0.00 -0.52 0.00 0.00 57.07 56.19 3e9f s TYR 38 Cb -0.09 -1.22 -0.04 0.00 0.38 0.00 0.00 41.96 40.99 3e9f s TYR 38 CO -0.01 0.58 0.15 0.95 -1.52 0.00 0.00 175.55 175.70 3e9f s THR 39 N -2.06 4.97 0.03 -3.49 -4.23 -0.24 -0.28 115.64 110.34 3e9f s THR 39 Ca 0.28 -0.58 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 3e9f s THR 39 Cb -0.07 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 3e9f s THR 39 CO 0.17 0.13 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.74 3e9f s SER 40 N -2.47 0.98 0.28 3.99 0.15 -1.26 -1.04 113.70 114.33 3e9f s SER 40 Ca 0.32 -0.43 -0.30 0.00 0.70 0.00 0.00 55.95 56.24 3e9f s SER 40 Cb -0.13 -0.02 -0.13 0.00 -1.71 0.00 0.00 66.02 64.04 3e9f s SER 40 CO 0.25 -0.10 1.30 -0.38 1.20 0.00 0.00 173.24 175.51 3e9f n ILE 41 N 1.86 1.47 -0.56 6.45 2.08 -0.58 -4.96 119.36 125.14 3e9f n ILE 41 Ca -0.20 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.75 3e9f n ILE 41 Cb 0.55 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 3e9f n ILE 41 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3e9f n PRO 42 N 1.30 -0.29 0.00 0.38 -0.02 -1.26 -5.06 135.00 130.05 3e9f n PRO 42 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3e9f n PRO 42 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 3e9f n PRO 42 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3e9f n ASN 43 N -2.41 0.06 0.00 2.55 0.23 -1.26 -5.21 115.26 109.22 3e9f n ASN 43 Ca 0.00 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 3e9f n ASN 43 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3e9f n ASN 43 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3e9f n LYS 54 N -0.00 0.00 0.00 -3.83 4.76 -1.26 -5.37 118.16 112.45 3e9f n LYS 54 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3e9f n LYS 54 Cb 0.23 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 3e9f n LYS 54 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3e9f n GLU 55 N 10.33 0.00 -3.19 1.97 2.13 -1.26 -4.95 120.64 125.67 3e9f n GLU 55 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 3e9f n GLU 55 Cb 0.00 -0.28 -0.07 0.00 0.27 0.00 0.00 31.44 31.36 3e9f n GLU 55 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3e9f s ILE 56 N -1.92 4.92 0.05 6.31 1.01 -1.26 -5.07 121.20 125.25 3e9f s ILE 56 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3e9f s ILE 56 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3e9f s ILE 56 CO 0.00 -0.60 0.03 -0.54 0.00 0.00 0.00 174.94 173.83 3e9f s LYS 57 N 2.55 2.75 0.52 2.79 1.02 -1.26 -5.02 119.74 123.09 3e9f s LYS 57 Ca 0.17 -0.70 -0.22 0.00 0.02 0.00 0.00 55.97 55.24 3e9f s LYS 57 Cb -0.16 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.42 3e9f s LYS 57 CO 0.15 0.58 1.19 -2.30 -0.92 0.00 0.00 175.35 174.05 3e9f n PRO 58 N 0.85 1.49 -3.87 -1.68 -0.02 -1.26 -4.69 135.00 125.82 3e9f n PRO 58 Ca -0.12 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 3e9f n PRO 58 Cb 0.52 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 3e9f n PRO 58 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3e9f s GLN 59 N -2.58 0.45 0.85 -0.52 -2.07 0.61 -4.92 119.66 111.49 3e9f s GLN 59 Ca 0.69 -0.35 -0.11 0.00 -1.82 0.00 0.00 55.36 53.76 3e9f s GLN 59 Cb -0.46 0.19 0.10 0.00 -1.09 0.00 0.00 33.01 31.75 3e9f s GLN 59 CO 0.52 -0.10 1.09 -1.59 -1.32 0.00 0.00 175.29 173.89 3e9f s LYS 60 N -1.26 1.68 0.31 9.60 -2.85 -1.26 -0.24 119.74 125.72 3e9f s LYS 60 Ca -0.13 0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 3e9f s LYS 60 Cb -0.07 -1.86 -0.12 0.00 -2.06 0.00 0.00 37.83 33.72 3e9f s LYS 60 CO 0.01 -1.93 1.57 1.28 0.10 0.00 0.00 175.35 176.38 3e9f n LEU 61 N -3.66 4.38 -4.49 2.77 4.77 -1.26 -4.79 117.00 114.72 3e9f n LEU 61 Ca 0.07 1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.90 3e9f n LEU 61 Cb 0.56 -1.59 0.18 0.00 -2.33 0.00 0.00 43.42 40.23 3e9f n LEU 61 CO 0.56 0.12 0.23 0.61 -1.33 0.00 0.00 177.39 177.59 3e9f n GLY 62 N 1.84 -1.52 0.30 -0.72 0.00 -1.26 -4.88 105.19 98.94 3e9f n GLY 62 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.30 3e9f n GLY 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3e9f h GLU 63 N -2.00 0.43 -0.33 1.61 4.11 -2.06 -2.44 114.58 113.90 3e9f h GLU 63 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3e9f h GLU 63 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3e9f h GLU 63 CO 0.40 0.30 0.00 -0.25 0.07 0.00 0.00 179.01 179.53 3e9f n ASP 64 N -4.48 2.89 -4.93 3.06 8.00 -1.26 -5.01 116.55 114.81 3e9f n ASP 64 Ca 0.02 -1.93 -0.26 0.00 0.71 0.00 0.00 54.79 53.33 3e9f n ASP 64 Cb 0.07 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 3e9f n ASP 64 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3e9f s GLU 65 N -1.00 3.52 -0.07 -1.24 2.02 -0.92 -5.11 118.70 115.90 3e9f s GLU 65 Ca 0.24 -0.31 -0.10 0.00 0.02 0.00 0.00 54.97 54.82 3e9f s GLU 65 Cb 0.13 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.62 3e9f s GLU 65 CO 0.17 0.30 0.26 0.45 0.02 0.00 0.00 175.26 176.46 3e9f s SER 66 N -3.47 -0.22 -0.08 -0.19 0.15 -1.26 -4.77 113.70 103.86 3e9f s SER 66 Ca 0.39 0.34 0.04 0.00 0.70 0.00 0.00 55.95 57.42 3e9f s SER 66 Cb -0.10 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 3e9f s SER 66 CO 0.31 -0.20 -0.20 -0.63 1.20 0.00 0.00 173.24 173.72 3e9f s ILE 67 N -0.35 2.50 0.31 6.45 1.01 -1.26 -4.96 121.20 124.90 3e9f s ILE 67 Ca -0.05 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 3e9f s ILE 67 Cb -0.03 -1.97 -0.12 0.00 0.01 0.00 0.00 42.46 40.34 3e9f s ILE 67 CO 0.01 0.56 1.39 -2.65 0.00 0.00 0.00 174.94 174.25 3e9f n PRO 68 N 3.11 2.24 -0.31 2.79 -0.02 -1.26 -4.69 135.00 136.86 3e9f n PRO 68 Ca -0.18 0.79 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 3e9f n PRO 68 Cb 0.52 -2.44 0.40 0.00 -0.02 0.00 0.00 33.50 31.97 3e9f n PRO 68 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3e9f h GLU 69 N 3.38 0.61 -0.91 -0.52 4.81 -2.00 -0.90 114.58 119.05 3e9f h GLU 69 Ca -0.46 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 58.95 3e9f h GLU 69 Cb 1.27 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 3e9f h GLU 69 CO 0.69 0.40 0.61 1.49 -0.73 0.00 0.00 179.01 181.47 3e9f h GLU 70 N 0.62 0.29 0.00 1.92 4.81 -2.05 -3.25 114.58 116.93 3e9f h GLU 70 Ca 0.53 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 3e9f h GLU 70 Cb 1.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3e9f h GLU 70 CO -0.28 0.19 -0.17 0.44 -0.73 0.00 0.00 179.01 178.46 3e9f n ILE 71 N -4.46 0.00 0.26 2.32 -5.35 -0.45 -4.81 119.36 106.86 3e9f n ILE 71 Ca 0.20 -0.38 0.16 0.00 -0.27 0.00 0.00 62.75 62.46 3e9f n ILE 71 Cb 0.78 0.90 0.89 0.00 -1.74 0.00 0.00 39.64 40.47 3e9f n ILE 71 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 3e9f h ILE 72 N 0.00 0.46 -0.18 7.28 2.10 -1.29 -0.55 117.51 125.34 3e9f h ILE 72 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3e9f h ILE 72 Cb 0.00 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 3e9f h ILE 72 CO 0.00 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.66 3e9f n ASN 73 N -3.77 1.41 -4.59 2.19 3.02 -1.26 -4.62 115.26 107.65 3e9f n ASN 73 Ca -0.01 -1.74 -0.31 0.00 -0.03 0.00 0.00 54.58 52.49 3e9f n ASN 73 Cb 0.21 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 3e9f n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3e9f s GLY 74 N -1.42 2.92 0.15 7.41 0.00 -0.21 -4.85 107.32 111.31 3e9f s GLY 74 Ca 0.28 -0.62 -0.31 0.00 0.00 0.00 0.00 44.72 44.08 3e9f s GLY 74 CO 0.22 -2.10 1.45 1.25 0.00 0.00 0.00 173.10 173.92 3e9f s LYS 75 N -3.83 4.28 0.15 2.90 2.20 -1.26 -4.28 119.74 119.91 3e9f s LYS 75 Ca 0.11 2.19 0.07 0.00 -0.36 0.00 0.00 55.97 57.97 3e9f s LYS 75 Cb 0.02 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3e9f s LYS 75 CO 0.06 -0.48 -0.15 0.00 -0.36 0.00 0.00 175.35 174.42 3e9f s PHE 77 N -2.31 1.19 -0.33 0.00 0.40 0.01 -0.61 117.98 116.34 3e9f s PHE 77 Ca 0.14 -0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 3e9f s PHE 77 Cb -0.04 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 3e9f s PHE 77 CO 0.05 -0.27 0.45 0.12 0.70 0.00 0.00 175.22 176.27 3e9f s PHE 78 N 0.87 3.21 0.20 0.36 5.36 -0.47 -0.78 117.98 126.72 3e9f s PHE 78 Ca -0.11 0.21 0.11 0.00 -0.96 0.00 0.00 56.93 56.18 3e9f s PHE 78 Cb -0.15 -2.78 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 3e9f s PHE 78 CO 0.01 -0.43 -0.23 0.96 -1.46 0.00 0.00 175.22 174.07 3e9f s ILE 79 N 2.23 2.41 -0.15 3.12 -4.36 0.13 -0.20 121.20 124.38 3e9f s ILE 79 Ca 0.16 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 3e9f s ILE 79 Cb -0.16 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 3e9f s ILE 79 CO 0.12 -0.15 -0.14 -2.28 0.24 0.00 0.00 174.94 172.73 3e9f s HIS 80 N -1.76 2.79 -0.00 1.37 5.65 -0.34 -2.24 115.29 120.76 3e9f s HIS 80 Ca 0.22 -0.92 -0.30 0.00 0.25 0.00 0.00 55.06 54.30 3e9f s HIS 80 Cb -0.08 -1.88 -0.03 0.00 -1.18 0.00 0.00 32.58 29.41 3e9f s HIS 80 CO 0.11 -0.40 1.00 0.71 -0.65 0.00 0.00 174.74 175.50 3e9f s TYR 81 N 0.71 3.64 0.09 3.88 1.51 -1.26 -0.79 117.35 125.11 3e9f s TYR 81 Ca -0.07 1.66 -0.31 0.00 -1.01 0.00 0.00 57.07 57.35 3e9f s TYR 81 Cb -0.15 -3.15 -0.09 0.00 -0.11 0.00 0.00 41.96 38.45 3e9f s TYR 81 CO 0.02 -0.12 1.82 -1.14 -1.11 0.00 0.00 175.55 175.02 3e9f s GLN 82 N 1.06 4.15 0.00 -0.62 2.00 -0.26 -1.72 119.66 124.27 3e9f s GLN 82 Ca 0.52 2.54 0.00 0.00 -2.00 0.00 0.00 55.36 56.42 3e9f s GLN 82 Cb -0.22 -3.74 0.00 0.00 0.80 0.00 0.00 33.01 29.85 3e9f s GLN 82 CO 0.28 -0.85 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 3e9f n GLY 83 N 4.26 2.14 3.92 2.59 0.00 -1.26 -4.93 105.19 111.91 3e9f n GLY 83 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3e9f n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3e9f s TRP 84 N -2.37 3.48 0.56 1.61 0.52 -0.70 -5.06 118.94 116.98 3e9f s TRP 84 Ca 0.00 0.66 -0.21 0.00 0.02 0.00 0.00 56.10 56.57 3e9f s TRP 84 Cb 0.00 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 3e9f s TRP 84 CO 0.00 -0.28 1.29 0.15 0.02 0.00 0.00 176.95 178.12 3e9f s LYS 85 N -4.68 3.10 0.17 4.98 1.02 -1.26 -4.86 119.74 118.21 3e9f s LYS 85 Ca 0.47 2.06 0.16 0.00 0.02 0.00 0.00 55.97 58.68 3e9f s LYS 85 Cb -0.10 -2.15 0.76 0.00 -0.52 0.00 0.00 37.83 35.82 3e9f s LYS 85 CO 0.43 -1.16 1.50 -1.13 -0.92 0.00 0.00 175.35 174.07 3e9f n SER 86 N -1.20 0.36 0.26 2.83 3.41 -1.26 -1.78 113.62 116.24 3e9f n SER 86 Ca 0.11 0.62 0.17 0.00 -0.26 0.00 0.00 58.87 59.52 3e9f n SER 86 Cb 0.47 -0.69 0.78 0.00 -0.26 0.00 0.00 64.21 64.51 3e9f n SER 86 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3e9f h SER 87 N 0.00 0.00 0.27 4.04 4.64 -2.01 -2.07 113.55 118.41 3e9f h SER 87 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3e9f h SER 87 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3e9f h SER 87 CO 0.00 0.00 -0.23 0.79 -0.87 0.00 0.00 176.83 176.52 3e9f n TRP 88 N -2.85 0.00 -1.75 4.77 7.02 -0.73 -4.93 117.44 118.97 3e9f n TRP 88 Ca -0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 3e9f n TRP 88 Cb 0.21 -0.14 -0.01 0.00 -2.42 0.00 0.00 31.31 28.95 3e9f n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3e9f n ASP 89 N -0.72 3.57 -3.58 -0.99 9.92 -0.78 -4.86 116.55 119.11 3e9f n ASP 89 Ca 0.12 1.20 -0.10 0.00 -0.53 0.00 0.00 54.79 55.48 3e9f n ASP 89 Cb 0.33 -1.58 -0.03 0.00 -0.64 0.00 0.00 41.12 39.21 3e9f n ASP 89 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3e9f s GLU 90 N -1.64 1.38 0.05 -1.24 -1.05 -0.95 -4.96 118.70 110.29 3e9f s GLU 90 Ca 0.57 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 3e9f s GLU 90 Cb -0.51 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 33.71 3e9f s GLU 90 CO 0.60 -0.60 0.96 -1.58 0.95 0.00 0.00 175.26 175.58 3e9f s TRP 91 N -3.81 3.73 0.13 4.83 0.52 -1.26 -0.69 118.94 122.39 3e9f s TRP 91 Ca 0.04 1.73 0.06 0.00 0.02 0.00 0.00 56.10 57.95 3e9f s TRP 91 Cb -0.02 -3.07 -0.04 0.00 -1.15 0.00 0.00 33.47 29.19 3e9f s TRP 91 CO -0.07 0.10 -0.13 0.14 0.02 0.00 0.00 176.95 177.01 3e9f s VAL 92 N 0.51 1.30 0.00 4.03 -7.23 0.04 -4.94 120.40 114.11 3e9f s VAL 92 Ca 0.49 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3e9f s VAL 92 Cb -0.22 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.10 3e9f s VAL 92 CO 0.28 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 3e9f n GLY 93 N 0.32 2.66 0.31 2.32 0.00 -1.26 -0.81 105.19 108.73 3e9f n GLY 93 Ca -0.14 -2.15 0.20 0.00 0.00 0.00 0.00 46.02 43.92 3e9f n GLY 93 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3e9f h TYR 94 N 0.32 0.00 -0.35 1.61 0.99 -1.89 -1.92 116.97 115.73 3e9f h TYR 94 Ca 0.00 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.76 3e9f h TYR 94 Cb 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.71 3e9f h TYR 94 CO 0.00 0.01 0.24 0.22 -0.00 0.00 0.00 178.16 178.63 3e9f h ASP 95 N 0.00 0.30 0.00 3.88 3.58 -1.96 -3.30 116.42 118.92 3e9f h ASP 95 Ca -0.00 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 3e9f h ASP 95 Cb 0.25 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 3e9f h ASP 95 CO 0.00 0.21 -1.55 0.54 -2.88 0.00 0.00 179.24 175.56 3e9f n ARG 96 N -4.49 1.33 -3.25 0.28 1.74 -0.79 -4.95 116.66 106.53 3e9f n ARG 96 Ca 0.03 -0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 3e9f n ARG 96 Cb 0.17 -1.24 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 3e9f n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3e9f s ILE 97 N -2.48 4.75 0.01 0.55 2.07 -0.79 -0.83 121.20 124.49 3e9f s ILE 97 Ca -0.04 0.93 0.00 0.00 -1.41 0.00 0.00 60.65 60.12 3e9f s ILE 97 Cb 0.05 -3.73 -0.01 0.00 0.13 0.00 0.00 42.46 38.90 3e9f s ILE 97 CO 0.41 0.11 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.39 3e9f s ARG 98 N -2.28 0.20 0.49 3.50 1.81 0.83 -4.84 118.95 118.66 3e9f s ARG 98 Ca 0.44 -0.39 -0.23 0.00 -1.72 0.00 0.00 55.73 53.83 3e9f s ARG 98 Cb -0.14 0.06 -0.07 0.00 -0.45 0.00 0.00 34.95 34.36 3e9f s ARG 98 CO 0.20 -0.03 1.28 0.00 -0.68 0.00 0.00 175.30 176.06 3e9f s ALA 99 N -0.93 2.96 -1.02 2.13 0.00 -1.26 -0.92 121.76 122.71 3e9f s ALA 99 Ca -0.10 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 3e9f s ALA 99 Cb -0.06 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 19.65 3e9f s ALA 99 CO -0.01 -1.01 1.37 -0.47 0.00 0.00 0.00 175.76 175.64 3e9f s TYR 100 N -1.38 2.79 0.31 0.00 5.04 -1.26 -4.56 117.35 118.28 3e9f s TYR 100 Ca 0.66 -1.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.18 3e9f s TYR 100 Cb -0.36 -4.55 -0.03 0.00 0.35 0.00 0.00 41.96 37.38 3e9f s TYR 100 CO 0.43 -1.76 0.29 0.54 -1.34 0.00 0.00 175.55 173.72 3e9f s ASN 101 N 4.38 1.27 0.16 4.32 2.20 -1.26 -5.04 114.94 120.97 3e9f s ASN 101 Ca 0.42 -1.64 -0.13 0.00 -0.94 0.00 0.00 52.86 50.57 3e9f s ASN 101 Cb -0.01 0.55 0.05 0.00 -2.00 0.00 0.00 41.25 39.83 3e9f s ASN 101 CO -0.08 -1.07 1.73 -0.33 -2.94 0.00 0.00 177.10 174.41 3e9f h GLU 102 N 2.21 0.77 -0.32 3.55 5.08 -2.00 -1.29 114.58 122.58 3e9f h GLU 102 Ca -0.27 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3e9f h GLU 102 Cb 1.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3e9f h GLU 102 CO 0.39 0.65 0.17 1.49 -1.00 0.00 0.00 179.01 180.71 3e9f h GLU 103 N 0.71 0.45 -0.02 2.33 4.81 -1.97 -2.20 114.58 118.68 3e9f h GLU 103 Ca 0.18 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.17 3e9f h GLU 103 Cb 0.15 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3e9f h GLU 103 CO -0.02 0.39 -0.78 -0.91 -0.73 0.00 0.00 179.01 176.97 3e9f h ASN 104 N 0.40 0.26 -0.47 1.04 2.35 -1.80 -1.33 115.58 116.02 3e9f h ASN 104 Ca 0.11 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3e9f h ASN 104 Cb 0.08 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3e9f h ASN 104 CO -0.02 0.93 0.27 0.40 -1.65 0.00 0.00 177.43 177.36 3e9f h ILE 105 N 0.13 1.16 -0.70 2.81 2.04 -1.20 0.33 117.51 122.09 3e9f h ILE 105 Ca -0.03 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 3e9f h ILE 105 Cb 1.36 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3e9f h ILE 105 CO 0.12 0.17 0.22 0.00 0.00 0.00 0.00 178.15 178.66 3e9f h ALA 106 N 1.11 1.07 -0.33 1.87 0.00 -1.28 -0.55 119.26 121.15 3e9f h ALA 106 Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3e9f h ALA 106 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3e9f h ALA 106 CO -0.03 0.63 -0.05 1.98 0.00 0.00 0.00 179.25 181.78 3e9f h MET 107 N 1.03 0.62 -0.45 0.00 1.85 -1.03 -1.01 114.93 115.95 3e9f h MET 107 Ca 0.23 -0.23 0.09 0.00 -0.61 0.00 0.00 59.70 59.18 3e9f h MET 107 Cb 0.29 -0.04 -0.08 0.00 0.43 0.00 0.00 31.60 32.20 3e9f h MET 107 CO -0.01 0.78 -0.04 -0.22 -0.40 0.00 0.00 176.91 177.02 3e9f h LYS 108 N 0.41 0.07 -0.57 0.39 3.64 -0.58 0.09 116.57 120.02 3e9f h LYS 108 Ca 0.09 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3e9f h LYS 108 Cb 0.53 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3e9f h LYS 108 CO 0.03 0.04 0.18 0.87 -2.27 0.00 0.00 179.45 178.30 3e9f h LYS 109 N 0.07 0.88 -0.59 1.90 1.57 -0.87 -2.71 116.57 116.82 3e9f h LYS 109 Ca 0.22 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3e9f h LYS 109 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3e9f h LYS 109 CO -0.41 0.79 0.31 -0.09 -0.57 0.00 0.00 179.45 179.48 3e9f h ARG 110 N 0.79 0.84 -0.67 3.15 2.43 -0.71 0.18 114.38 120.39 3e9f h ARG 110 Ca 0.18 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3e9f h ARG 110 Cb 0.27 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3e9f h ARG 110 CO -0.01 0.66 0.42 -0.07 -1.51 0.00 0.00 179.97 179.46 3e9f h LEU 111 N 0.81 0.68 0.14 3.80 3.38 -0.85 0.86 115.31 124.14 3e9f h LEU 111 Ca 0.21 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.91 3e9f h LEU 111 Cb 0.07 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.71 3e9f h LEU 111 CO -0.03 0.47 -1.12 0.00 0.09 0.00 0.00 178.44 177.85 3e9f h ALA 112 N 1.29 -0.06 -0.01 1.53 0.00 -1.27 -3.16 119.26 117.58 3e9f h ALA 112 Ca 0.27 -0.75 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3e9f h ALA 112 Cb 0.02 0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3e9f h ALA 112 CO -0.11 0.57 -0.69 -0.91 0.00 0.00 0.00 179.25 178.11 3e9f h ASN 113 N 0.04 0.62 0.00 0.00 2.35 -0.58 -3.42 115.58 114.60 3e9f h ASN 113 Ca -0.18 -0.75 -0.03 0.00 -0.55 0.00 0.00 56.30 54.79 3e9f h ASN 113 Cb 1.84 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.01 3e9f h ASN 113 CO 0.21 1.29 -1.12 0.18 -1.65 0.00 0.00 177.43 176.34 3e9f n LEU 114 N -4.14 0.48 0.00 1.61 4.77 0.20 -5.06 117.00 114.86 3e9f n LEU 114 Ca -0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3e9f n LEU 114 Cb 0.72 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3e9f n LEU 114 CO 0.49 0.12 0.00 -0.62 -1.33 0.00 0.00 177.39 176.05