#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8n h GLN 2 N 0.00 1.09 -0.44 5.31 4.20 -2.00 -2.57 115.11 120.71 2i8n h GLN 2 Ca 0.00 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2i8n h GLN 2 Cb 0.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2i8n h GLN 2 CO 0.00 0.95 0.29 -0.07 -0.67 0.00 0.00 178.83 179.33 2i8n h LEU 3 N 1.04 0.50 -1.34 1.46 3.38 -2.01 -2.26 115.31 116.08 2i8n h LEU 3 Ca 0.22 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2i8n h LEU 3 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2i8n h LEU 3 CO -0.00 0.36 0.19 0.50 0.09 0.00 0.00 178.44 179.58 2i8n h LYS 4 N 0.59 0.64 -0.50 1.13 3.11 -1.98 -2.26 116.57 117.30 2i8n h LYS 4 Ca 0.16 -0.08 -0.03 0.00 -2.81 0.00 0.00 60.65 57.89 2i8n h LYS 4 Cb -0.07 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.02 2i8n h LYS 4 CO -0.04 0.52 0.18 0.00 -2.81 0.00 0.00 179.45 177.31 2i8n h SER 7 N 0.97 0.56 -0.34 0.00 0.87 -1.48 -2.58 113.55 111.55 2i8n h SER 7 Ca 0.34 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2i8n h SER 7 Cb 0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2i8n h SER 7 CO -0.14 0.55 0.22 1.23 -0.53 0.00 0.00 176.83 178.17 2i8n h GLY 8 N 0.81 0.47 0.86 5.77 0.00 -1.16 0.49 103.07 110.30 2i8n h GLY 8 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2i8n h GLY 8 CO -0.00 0.17 0.05 -2.22 0.00 0.00 0.00 176.54 174.54 2i8n h ILE 9 N 0.45 1.20 -0.44 2.60 2.04 -1.34 -2.83 117.51 119.19 2i8n h ILE 9 Ca 0.12 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 2i8n h ILE 9 Cb -0.05 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2i8n h ILE 9 CO -0.03 0.20 0.06 -0.07 0.00 0.00 0.00 178.15 178.31 2i8n h LEU 10 N 0.13 0.63 -1.97 1.44 3.38 -1.30 -2.51 115.31 115.11 2i8n h LEU 10 Ca 0.06 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2i8n h LEU 10 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2i8n h LEU 10 CO -0.00 0.66 0.12 0.50 0.09 0.00 0.00 178.44 179.81 2i8n h LYS 11 N 0.65 0.04 -0.72 1.13 3.64 0.22 -1.74 116.57 119.79 2i8n h LYS 11 Ca 0.14 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2i8n h LYS 11 Cb 0.31 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 2i8n h LYS 11 CO 0.00 0.02 0.47 0.93 -2.27 0.00 0.00 179.45 178.61 2i8n h GLU 12 N 0.04 0.81 -0.90 1.90 3.07 -1.29 0.60 114.58 118.80 2i8n h GLU 12 Ca 0.08 -0.05 0.05 0.00 -0.50 0.00 0.00 59.36 58.94 2i8n h GLU 12 Cb 0.26 -0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 27.93 2i8n h GLU 12 CO -0.00 0.54 0.59 0.52 -1.40 0.00 0.00 179.01 179.25 2i8n h MET 13 N 0.84 1.03 -0.27 2.33 2.86 -1.45 -1.59 114.93 118.68 2i8n h MET 13 Ca 0.29 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2i8n h MET 13 Cb 0.11 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2i8n h MET 13 CO -0.09 0.68 0.00 0.34 1.06 0.00 0.00 176.91 178.91 2i8n n PHE 14 N -4.47 0.34 0.00 -0.22 -0.00 -0.51 -1.76 117.46 110.85 2i8n n PHE 14 Ca 0.13 -0.19 0.06 0.00 -0.00 0.00 0.00 57.45 57.45 2i8n n PHE 14 Cb 0.16 -0.00 0.25 0.00 -0.00 0.00 0.00 39.48 39.89 2i8n n PHE 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2i8n n ALA 15 N 1.31 3.06 -1.80 3.13 0.00 0.20 -4.88 120.51 121.52 2i8n n ALA 15 Ca 0.16 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 2i8n n ALA 15 Cb 0.56 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 2i8n n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i8n n LYS 16 N 0.60 -0.73 -0.03 0.00 5.02 -1.24 -4.89 118.16 116.88 2i8n n LYS 16 Ca 0.18 0.63 -0.03 0.00 -2.02 0.00 0.00 58.31 57.06 2i8n n LYS 16 Cb 0.71 -4.61 -0.04 0.00 -0.02 0.00 0.00 35.03 31.06 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i8n n LYS 17 N -2.26 2.25 -0.28 1.97 5.02 -1.04 -4.75 118.16 119.08 2i8n n LYS 17 Ca -0.11 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.23 2i8n n LYS 17 Cb 0.47 -1.15 0.05 0.00 -0.02 0.00 0.00 35.03 34.39 2i8n n LYS 17 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2i8n n HIS 18 N -2.35 0.00 -0.10 2.13 8.25 -0.87 -4.81 115.22 117.47 2i8n n HIS 18 Ca -0.10 -0.40 -0.11 0.00 -0.26 0.00 0.00 57.72 56.84 2i8n n HIS 18 Cb 0.68 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.72 2i8n n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i8n h ALA 19 N 0.00 0.69 -0.20 -1.41 0.00 -1.55 0.55 119.26 117.34 2i8n h ALA 19 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2i8n h ALA 19 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2i8n h ALA 19 CO 0.00 0.67 -0.41 0.00 0.00 0.00 0.00 179.25 179.51 2i8n h ALA 20 N 0.90 0.93 0.02 0.00 0.00 -1.87 0.15 119.26 119.38 2i8n h ALA 20 Ca 0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.27 2i8n h ALA 20 Cb 0.90 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2i8n h ALA 20 CO 0.08 0.63 -1.50 1.88 0.00 0.00 0.00 179.25 180.34 2i8n h TYR 21 N 0.38 0.07 -0.54 0.00 0.05 -1.87 -3.34 116.97 111.72 2i8n h TYR 21 Ca 0.03 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2i8n h TYR 21 Cb 0.88 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 2i8n h TYR 21 CO 0.03 1.07 0.00 0.00 -1.05 0.00 0.00 178.16 178.21 2i8n n ALA 22 N -2.53 3.29 0.12 3.88 0.00 0.19 -4.57 120.51 120.89 2i8n n ALA 22 Ca -0.13 -1.82 -0.13 0.00 0.00 0.00 0.00 53.44 51.37 2i8n n ALA 22 Cb 1.02 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 2i8n n ALA 22 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2i8n h TRP 23 N 3.53 -0.28 -0.26 0.00 7.01 -0.81 -3.10 115.95 122.03 2i8n h TRP 23 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2i8n h TRP 23 Cb 1.59 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.75 2i8n h TRP 23 CO 0.80 0.04 0.00 -0.35 -2.79 0.00 0.00 178.44 176.14 2i8n n PRO 24 N -5.09 2.59 -3.10 2.65 -0.04 -1.26 -4.29 135.00 126.46 2i8n n PRO 24 Ca -0.09 -1.35 -0.17 0.00 -0.04 0.00 0.00 63.50 61.84 2i8n n PRO 24 Cb 0.23 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 2i8n n PRO 24 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2i8n n PHE 25 N 0.30 -0.60 0.05 0.54 7.35 -1.17 -4.93 117.46 118.99 2i8n n PHE 25 Ca 0.12 -3.39 0.00 0.00 -0.76 0.00 0.00 57.45 53.42 2i8n n PHE 25 Cb 0.62 0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.46 2i8n n PHE 25 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2i8n n TYR 26 N 0.62 -0.53 -2.10 -5.13 4.19 -1.25 -4.79 117.16 108.17 2i8n n TYR 26 Ca 0.20 0.09 -0.32 0.00 3.31 0.00 0.00 57.90 61.19 2i8n n TYR 26 Cb 0.64 0.22 -0.01 0.00 0.49 0.00 0.00 39.34 40.68 2i8n n TYR 26 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2i8n s LYS 27 N -2.00 3.70 0.94 2.98 1.02 -1.26 -2.93 119.74 122.19 2i8n s LYS 27 Ca 0.00 0.88 -0.16 0.00 0.02 0.00 0.00 55.97 56.71 2i8n s LYS 27 Cb 0.00 -2.10 0.24 0.00 -0.52 0.00 0.00 37.83 35.45 2i8n s LYS 27 CO 0.00 -0.48 0.77 -0.35 -0.92 0.00 0.00 175.35 174.37 2i8n n PRO 28 N -2.21 -2.88 -2.88 -1.68 -0.04 -1.26 -4.83 135.00 119.21 2i8n n PRO 28 Ca 0.06 -1.25 -0.44 0.00 -0.04 0.00 0.00 63.50 61.84 2i8n n PRO 28 Cb 0.54 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2i8n n PRO 28 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2i8n n VAL 29 N -4.40 4.29 -1.56 0.52 0.24 -1.26 -4.97 118.33 111.19 2i8n n VAL 29 Ca 0.11 -4.73 -0.31 0.00 -2.04 0.00 0.00 64.34 57.37 2i8n n VAL 29 Cb 0.43 -2.45 -0.04 0.00 -1.47 0.00 0.00 33.84 30.31 2i8n n VAL 29 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2i8n s ASP 30 N 2.43 4.30 0.24 -1.34 1.11 -1.26 -4.81 116.67 117.33 2i8n s ASP 30 Ca 0.42 0.84 -0.06 0.00 0.18 0.00 0.00 52.55 53.93 2i8n s ASP 30 Cb -0.01 -2.51 0.24 0.00 1.07 0.00 0.00 42.92 41.71 2i8n s ASP 30 CO 0.00 -3.12 1.87 1.62 1.18 0.00 0.00 175.17 176.71 2i8n h VAL 31 N 7.70 1.25 -0.07 -1.27 3.04 -1.93 0.54 116.25 125.51 2i8n h VAL 31 Ca -0.18 -0.63 -0.07 0.00 -1.01 0.00 0.00 66.70 64.81 2i8n h VAL 31 Cb 1.21 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2i8n h VAL 31 CO 1.12 0.29 -0.21 -0.33 -1.01 0.00 0.00 177.57 177.43 2i8n h GLU 32 N 1.23 0.27 -0.04 4.17 5.08 -1.93 0.26 114.58 123.64 2i8n h GLU 32 Ca 0.31 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2i8n h GLU 32 Cb 0.02 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2i8n h GLU 32 CO -0.05 0.81 -0.12 0.00 -1.00 0.00 0.00 179.01 178.65 2i8n h ALA 33 N 0.46 0.07 0.00 3.43 0.00 -1.94 -3.29 119.26 118.00 2i8n h ALA 33 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2i8n h ALA 33 Cb 0.83 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2i8n h ALA 33 CO 0.05 -0.03 -0.29 -0.07 0.00 0.00 0.00 179.25 178.90 2i8n h LEU 34 N -0.39 0.00 -2.55 0.00 3.38 -0.04 -3.49 115.31 112.23 2i8n h LEU 34 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2i8n h LEU 34 Cb 0.73 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.58 2i8n h LEU 34 CO 0.03 0.15 -0.40 0.61 0.09 0.00 0.00 178.44 178.91 2i8n n GLY 35 N 1.15 -0.04 2.54 0.83 0.00 0.87 -5.01 105.19 105.52 2i8n n GLY 35 Ca 0.03 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2i8n n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2i8n n LEU 36 N -2.36 1.63 0.00 0.99 -0.00 -0.84 -4.91 117.00 111.51 2i8n n LEU 36 Ca -0.06 -4.92 0.12 0.00 -0.00 0.00 0.00 56.01 51.15 2i8n n LEU 36 Cb 0.56 -0.11 0.57 0.00 -0.00 0.00 0.00 43.42 44.44 2i8n n LEU 36 CO 0.28 1.90 0.88 1.41 -0.00 0.00 0.00 177.39 181.87 2i8n n HIS 37 N 1.92 0.00 0.25 1.47 8.25 -1.26 -2.91 115.22 122.93 2i8n n HIS 37 Ca 0.25 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.85 2i8n n HIS 37 Cb 0.43 -0.36 0.37 0.00 1.12 0.00 0.00 29.99 31.55 2i8n n HIS 37 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2i8n h ASP 38 N 0.00 0.00 -0.83 0.41 5.19 -1.99 -3.24 116.42 115.97 2i8n h ASP 38 Ca 0.00 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 2i8n h ASP 38 Cb 0.28 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.74 2i8n h ASP 38 CO 0.00 0.00 0.52 0.22 -3.12 0.00 0.00 179.24 176.86 2i8n h TYR 39 N 0.00 0.97 -0.46 4.55 5.03 -1.88 0.46 116.97 125.64 2i8n h TYR 39 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 2i8n h TYR 39 Cb 0.81 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 2i8n h TYR 39 CO 0.00 0.52 0.11 0.00 -1.32 0.00 0.00 178.16 177.47 2i8n h ASP 41 N 0.67 0.76 0.00 0.00 1.82 -1.43 -3.39 116.42 114.84 2i8n h ASP 41 Ca 0.15 -0.63 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 2i8n h ASP 41 Cb 0.25 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2i8n h ASP 41 CO -0.00 1.26 -0.03 0.40 -1.61 0.00 0.00 179.24 179.26 2i8n h ILE 42 N 0.30 0.00 -3.51 2.25 2.04 -0.73 -3.45 117.51 114.40 2i8n h ILE 42 Ca -0.04 -0.76 -0.61 0.00 1.00 0.00 0.00 64.86 64.45 2i8n h ILE 42 Cb 1.23 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.18 2i8n h ILE 42 CO 0.12 0.00 -0.36 -0.63 0.00 0.00 0.00 178.15 177.29 2i8n s ILE 43 N -1.46 5.28 0.02 -0.67 -1.09 0.23 -4.98 121.20 118.54 2i8n s ILE 43 Ca -0.01 0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 58.83 2i8n s ILE 43 Cb 0.00 -3.61 -0.27 0.00 -1.58 0.00 0.00 42.46 37.00 2i8n s ILE 43 CO 0.01 0.31 0.92 0.07 -1.23 0.00 0.00 174.94 175.02 2i8n h LYS 44 N 7.38 0.22 -2.16 2.79 2.10 -1.78 -3.35 116.57 121.78 2i8n h LYS 44 Ca -0.37 -0.38 -0.57 0.00 -2.00 0.00 0.00 60.65 57.32 2i8n h LYS 44 Cb 1.17 0.14 -0.39 0.00 -0.90 0.00 0.00 32.23 32.24 2i8n h LYS 44 CO 0.69 1.09 -0.99 1.58 -2.00 0.00 0.00 179.45 179.82 2i8n n HIS 45 N -3.44 0.12 -1.48 0.07 -0.00 -1.26 -5.06 115.22 104.17 2i8n n HIS 45 Ca -0.14 -3.60 -0.31 0.00 -0.00 0.00 0.00 57.72 53.67 2i8n n HIS 45 Cb 1.03 -0.24 0.06 0.00 -0.00 0.00 0.00 29.99 30.85 2i8n n HIS 45 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2i8n s PRO 46 N -1.04 2.70 0.15 1.57 0.04 -1.26 -4.96 135.00 132.19 2i8n s PRO 46 Ca 0.35 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2i8n s PRO 46 Cb 0.13 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2i8n s PRO 46 CO -0.12 -1.28 0.34 -1.64 0.04 0.00 0.00 177.00 174.33 2i8n s MET 47 N -5.01 1.13 0.26 4.56 -1.94 -1.26 -5.11 119.30 111.93 2i8n s MET 47 Ca 0.59 -0.99 -0.08 0.00 -1.71 0.00 0.00 55.69 53.51 2i8n s MET 47 Cb -0.15 0.42 -0.01 0.00 2.01 0.00 0.00 34.83 37.10 2i8n s MET 47 CO 0.55 -0.43 0.41 0.34 -0.01 0.00 0.00 175.02 175.88 2i8n s ASP 48 N -2.90 0.22 0.35 3.03 -1.08 -1.26 -4.95 116.67 110.08 2i8n s ASP 48 Ca 0.11 -1.17 0.08 0.00 -0.52 0.00 0.00 52.55 51.04 2i8n s ASP 48 Cb 0.02 0.57 0.78 0.00 -1.46 0.00 0.00 42.92 42.83 2i8n s ASP 48 CO -0.05 -1.12 1.87 -0.03 0.52 0.00 0.00 175.17 176.36 2i8n h MET 49 N 2.29 0.72 -0.45 4.34 4.05 -1.87 -0.83 114.93 123.17 2i8n h MET 49 Ca -0.29 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.06 2i8n h MET 49 Cb 1.25 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 2i8n h MET 49 CO 0.40 0.47 0.17 1.03 0.23 0.00 0.00 176.91 179.21 2i8n h SER 50 N 0.74 0.64 -0.60 1.39 0.87 -1.86 -0.24 113.55 114.48 2i8n h SER 50 Ca 0.44 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 2i8n h SER 50 Cb 0.65 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 2i8n h SER 50 CO -0.20 0.64 0.14 0.74 -0.53 0.00 0.00 176.83 177.63 2i8n h THR 51 N 0.59 1.25 -0.20 2.23 2.02 -1.54 0.42 112.91 117.69 2i8n h THR 51 Ca 0.15 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 2i8n h THR 51 Cb 0.21 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2i8n h THR 51 CO -0.01 0.35 -0.19 0.40 0.37 0.00 0.00 175.52 176.43 2i8n h ILE 52 N 0.95 1.33 -0.35 3.11 2.04 -1.05 -3.06 117.51 120.47 2i8n h ILE 52 Ca 0.20 -1.35 -0.10 0.00 1.00 0.00 0.00 64.86 64.61 2i8n h ILE 52 Cb 0.35 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2i8n h ILE 52 CO 0.00 0.41 -0.20 0.11 0.00 0.00 0.00 178.15 178.48 2i8n h LYS 53 N 0.16 0.66 -0.73 2.37 1.79 -0.92 -3.03 116.57 116.87 2i8n h LYS 53 Ca 0.03 -0.25 0.05 0.00 -2.18 0.00 0.00 60.65 58.30 2i8n h LYS 53 Cb 0.74 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.29 2i8n h LYS 53 CO 0.05 0.82 0.44 0.66 -1.08 0.00 0.00 179.45 180.34 2i8n h SER 54 N 0.59 0.70 -0.08 0.86 4.64 -0.89 0.72 113.55 120.08 2i8n h SER 54 Ca 0.09 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2i8n h SER 54 Cb 0.66 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2i8n h SER 54 CO 0.05 0.46 0.04 0.11 -0.87 0.00 0.00 176.83 176.62 2i8n h LYS 55 N 0.83 0.12 -0.20 4.77 1.79 -1.43 -2.21 116.57 120.24 2i8n h LYS 55 Ca 0.31 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.69 2i8n h LYS 55 Cb 0.11 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2i8n h LYS 55 CO -0.15 0.17 -0.21 1.25 -1.08 0.00 0.00 179.45 179.43 2i8n h LEU 56 N 0.03 0.34 -0.85 2.94 5.85 -1.34 0.11 115.31 122.40 2i8n h LEU 56 Ca 0.03 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2i8n h LEU 56 Cb 0.09 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2i8n h LEU 56 CO -0.00 0.56 0.55 -0.33 -0.34 0.00 0.00 178.44 178.88 2i8n h GLU 57 N 0.32 1.13 -0.60 1.25 4.39 0.85 -1.81 114.58 120.11 2i8n h GLU 57 Ca 0.05 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2i8n h GLU 57 Cb 0.55 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2i8n h GLU 57 CO 0.04 0.76 0.00 0.00 -1.16 0.00 0.00 179.01 178.65 2i8n n ALA 58 N -2.34 2.87 -2.19 3.43 0.00 -0.87 -4.89 120.51 116.52 2i8n n ALA 58 Ca 0.09 -0.90 -0.20 0.00 0.00 0.00 0.00 53.44 52.43 2i8n n ALA 58 Cb 0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 2i8n n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i8n n ARG 59 N 0.52 -1.66 0.08 0.00 5.12 -0.68 -4.87 116.66 115.17 2i8n n ARG 59 Ca 0.15 1.03 -0.11 0.00 -1.93 0.00 0.00 57.85 56.99 2i8n n ARG 59 Cb 0.57 -5.61 -0.04 0.00 -1.16 0.00 0.00 32.46 26.22 2i8n n ARG 59 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2i8n h GLU 60 N 0.00 0.25 -5.96 5.56 5.08 -0.99 -3.43 114.58 115.10 2i8n h GLU 60 Ca -0.46 -0.29 -0.51 0.00 -1.00 0.00 0.00 59.36 57.10 2i8n h GLU 60 Cb 1.34 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2i8n h GLU 60 CO 0.57 1.02 1.42 0.71 -1.00 0.00 0.00 179.01 181.73 2i8n s TYR 61 N -3.14 1.50 0.48 4.33 2.02 -1.20 -4.83 117.35 116.51 2i8n s TYR 61 Ca -0.04 0.93 0.18 0.00 -0.37 0.00 0.00 57.07 57.78 2i8n s TYR 61 Cb 0.09 -3.95 1.19 0.00 -0.40 0.00 0.00 41.96 38.89 2i8n s TYR 61 CO 0.84 -2.66 2.00 -0.09 -1.57 0.00 0.00 175.55 174.07 2i8n h ARG 62 N 15.68 0.22 0.00 -0.62 2.43 -1.96 -3.46 114.38 126.67 2i8n h ARG 62 Ca -0.28 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.99 2i8n h ARG 62 Cb 1.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2i8n h ARG 62 CO 1.14 0.14 0.48 -0.40 -1.51 0.00 0.00 179.97 179.83 2i8n n ASP 63 N -4.45 -1.68 0.15 -3.80 5.68 -1.26 -5.02 116.55 106.18 2i8n n ASP 63 Ca 0.09 -1.95 0.13 0.00 -0.50 0.00 0.00 54.79 52.56 2i8n n ASP 63 Cb 0.44 2.75 0.49 0.00 -1.14 0.00 0.00 41.12 43.65 2i8n n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2i8n h ALA 64 N 2.00 1.00 -0.33 2.12 0.00 -1.94 -3.13 119.26 118.97 2i8n h ALA 64 Ca -0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2i8n h ALA 64 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2i8n h ALA 64 CO 0.34 0.00 0.15 0.37 0.00 0.00 0.00 179.25 180.11 2i8n h GLN 65 N 0.00 0.49 -0.22 0.00 4.15 -1.99 -1.35 115.11 116.19 2i8n h GLN 65 Ca 0.00 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.19 2i8n h GLN 65 Cb 0.49 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2i8n h GLN 65 CO 0.00 0.47 -0.46 0.93 -1.93 0.00 0.00 178.83 177.83 2i8n h GLU 66 N 0.39 0.56 0.37 1.69 5.08 -1.97 -2.68 114.58 118.03 2i8n h GLU 66 Ca 0.11 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2i8n h GLU 66 Cb 0.15 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2i8n h GLU 66 CO -0.01 0.91 -0.18 0.35 -1.00 0.00 0.00 179.01 179.08 2i8n h PHE 67 N 0.45 -0.47 -0.18 4.33 3.04 -1.50 -2.42 116.94 120.19 2i8n h PHE 67 Ca 0.03 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2i8n h PHE 67 Cb 0.98 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 2i8n h PHE 67 CO 0.04 -0.29 -0.00 0.78 -2.02 0.00 0.00 178.31 176.82 2i8n h GLY 68 N -0.50 0.29 1.00 2.40 0.00 -1.29 -2.64 103.07 102.33 2i8n h GLY 68 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2i8n h GLY 68 CO 0.08 0.13 0.31 0.00 0.00 0.00 0.00 176.54 177.06 2i8n h ALA 69 N 1.74 0.84 -0.19 3.60 0.00 -1.16 -2.11 119.26 121.97 2i8n h ALA 69 Ca 0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2i8n h ALA 69 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2i8n h ALA 69 CO 0.00 0.41 -0.46 -0.44 0.00 0.00 0.00 179.25 178.76 2i8n h ASP 70 N 0.90 0.53 -0.15 0.00 3.32 -1.10 -1.51 116.42 118.41 2i8n h ASP 70 Ca 0.22 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2i8n h ASP 70 Cb 0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2i8n h ASP 70 CO -0.03 0.91 0.06 0.58 -1.72 0.00 0.00 179.24 179.04 2i8n h VAL 71 N 0.39 1.16 -0.69 -1.35 2.07 -1.24 -0.02 116.25 116.58 2i8n h VAL 71 Ca 0.02 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2i8n h VAL 71 Cb 0.96 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2i8n h VAL 71 CO 0.08 0.15 0.15 0.03 0.02 0.00 0.00 177.57 178.00 2i8n h ARG 72 N 0.08 1.12 -0.12 1.57 3.08 -1.36 -1.42 114.38 117.33 2i8n h ARG 72 Ca 0.05 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2i8n h ARG 72 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2i8n h ARG 72 CO -0.00 1.00 0.06 1.25 -1.07 0.00 0.00 179.97 181.21 2i8n h LEU 73 N 1.06 0.15 -0.75 3.04 6.46 -1.08 -2.30 115.31 121.89 2i8n h LEU 73 Ca 0.22 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2i8n h LEU 73 Cb 0.40 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 2i8n h LEU 73 CO 0.01 0.21 0.41 -0.03 -0.62 0.00 0.00 178.44 178.41 2i8n h MET 74 N 0.08 1.05 -0.90 1.25 4.05 -0.88 -2.57 114.93 117.01 2i8n h MET 74 Ca 0.04 -0.13 0.05 0.00 -0.28 0.00 0.00 59.70 59.39 2i8n h MET 74 Cb 0.09 -0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 30.63 2i8n h MET 74 CO -0.01 0.78 0.57 0.35 0.23 0.00 0.00 176.91 178.84 2i8n h PHE 75 N 1.04 1.07 -0.52 1.39 3.57 -1.07 0.39 116.94 122.81 2i8n h PHE 75 Ca 0.26 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2i8n h PHE 75 Cb 0.04 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2i8n h PHE 75 CO 0.00 0.57 0.23 0.77 -2.23 0.00 0.00 178.31 177.66 2i8n h SER 76 N 1.07 0.70 -0.23 0.41 0.02 -1.03 -1.08 113.55 113.41 2i8n h SER 76 Ca 0.38 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 2i8n h SER 76 Cb 0.10 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2i8n h SER 76 CO -0.15 0.66 -0.42 0.78 -1.14 0.00 0.00 176.83 176.55 2i8n h ASN 77 N 0.70 0.76 -0.68 3.07 4.21 -1.06 -3.15 115.58 119.44 2i8n h ASN 77 Ca 0.18 -0.54 0.01 0.00 1.21 0.00 0.00 56.30 57.16 2i8n h ASN 77 Cb 0.16 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 2i8n h ASN 77 CO -0.02 1.16 0.45 0.00 -1.29 0.00 0.00 177.43 177.73 2i8n h TYR 79 N 0.90 0.95 -0.32 0.00 3.20 -1.15 0.33 116.97 120.88 2i8n h TYR 79 Ca 0.25 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.97 2i8n h TYR 79 Cb -0.07 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.88 2i8n h TYR 79 CO -0.00 0.61 -0.47 -0.22 -1.64 0.00 0.00 178.16 176.44 2i8n h LYS 80 N 1.01 0.86 -0.02 1.82 3.64 -1.36 -3.19 116.57 119.33 2i8n h LYS 80 Ca 0.27 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 58.96 2i8n h LYS 80 Cb -0.09 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2i8n h LYS 80 CO -0.06 1.14 -0.82 -0.92 -2.27 0.00 0.00 179.45 176.53 2i8n h TYR 81 N 0.68 0.34 -3.60 1.91 3.20 -1.02 -3.42 116.97 115.06 2i8n h TYR 81 Ca 0.03 -0.17 -0.62 0.00 3.14 0.00 0.00 58.73 61.11 2i8n h TYR 81 Cb 1.07 -0.04 -0.12 0.00 1.54 0.00 0.00 36.73 39.17 2i8n h TYR 81 CO 0.06 0.95 0.36 -0.80 -1.64 0.00 0.00 178.16 177.10 2i8n s ASN 82 N -6.94 6.46 0.43 -2.11 -0.87 0.11 -5.04 114.94 106.99 2i8n s ASN 82 Ca -0.04 0.06 -0.26 0.00 -1.57 0.00 0.00 52.86 51.06 2i8n s ASN 82 Cb 0.10 -2.39 -0.09 0.00 -0.02 0.00 0.00 41.25 38.85 2i8n s ASN 82 CO 0.83 -0.85 1.37 -2.65 -2.57 0.00 0.00 177.10 173.22 2i8n n PRO 83 N 6.62 2.14 -1.51 -0.60 -0.02 -1.26 -4.79 135.00 135.58 2i8n n PRO 83 Ca 0.03 0.76 -0.36 0.00 -2.02 0.00 0.00 63.50 61.91 2i8n n PRO 83 Cb 0.48 -2.52 0.08 0.00 -0.02 0.00 0.00 33.50 31.52 2i8n n PRO 83 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2i8n n PRO 84 N -0.04 0.77 -3.44 0.52 -0.02 -1.26 -3.60 135.00 127.93 2i8n n PRO 84 Ca 0.05 0.32 -0.17 0.00 -2.02 0.00 0.00 63.50 61.68 2i8n n PRO 84 Cb 0.40 -2.40 0.08 0.00 -0.02 0.00 0.00 33.50 31.56 2i8n n PRO 84 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2i8n n ASP 85 N -1.98 -2.58 -4.17 2.55 2.03 -1.26 -5.02 116.55 106.12 2i8n n ASP 85 Ca 0.15 -0.66 -0.21 0.00 0.52 0.00 0.00 54.79 54.59 2i8n n ASP 85 Cb 0.49 -5.02 -0.13 0.00 -0.72 0.00 0.00 41.12 35.74 2i8n n ASP 85 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2i8n s HIS 86 N -3.40 1.35 0.26 -0.67 2.46 -1.24 -5.04 115.29 109.02 2i8n s HIS 86 Ca 0.06 -0.36 -0.03 0.00 0.47 0.00 0.00 55.06 55.20 2i8n s HIS 86 Cb -0.01 -0.80 0.41 0.00 -0.13 0.00 0.00 32.58 32.05 2i8n s HIS 86 CO 0.74 0.05 1.86 0.93 -2.47 0.00 0.00 174.74 175.85 2i8n h GLU 87 N 4.86 1.02 -0.54 2.88 5.08 -1.95 -1.28 114.58 124.65 2i8n h GLU 87 Ca -0.39 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2i8n h GLU 87 Cb 1.18 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2i8n h GLU 87 CO 0.44 0.68 0.24 -0.39 -1.00 0.00 0.00 179.01 178.97 2i8n h VAL 88 N 1.05 1.19 -0.22 3.13 -1.51 -1.96 -1.79 116.25 116.14 2i8n h VAL 88 Ca 0.42 -0.56 -0.03 0.00 -1.23 0.00 0.00 66.70 65.31 2i8n h VAL 88 Cb 0.24 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 2i8n h VAL 88 CO -0.20 0.22 0.01 0.58 -1.23 0.00 0.00 177.57 176.96 2i8n h VAL 89 N 0.76 1.25 -0.62 7.19 2.07 -1.56 -2.58 116.25 122.76 2i8n h VAL 89 Ca 0.19 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2i8n h VAL 89 Cb 0.11 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2i8n h VAL 89 CO -0.02 0.26 0.30 0.00 0.02 0.00 0.00 177.57 178.12 2i8n h ALA 90 N 0.81 1.36 -0.34 1.67 0.00 -1.17 -2.67 119.26 118.93 2i8n h ALA 90 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i8n h ALA 90 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2i8n h ALA 90 CO 0.01 0.50 0.19 0.52 0.00 0.00 0.00 179.25 180.47 2i8n h MET 91 N 0.87 0.47 -0.43 0.00 2.86 -1.18 -1.90 114.93 115.61 2i8n h MET 91 Ca 0.22 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.85 2i8n h MET 91 Cb 0.09 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 2i8n h MET 91 CO -0.03 0.37 0.20 0.00 1.06 0.00 0.00 176.91 178.51 2i8n h ALA 92 N 1.07 0.54 -0.74 6.32 0.00 -1.14 -1.83 119.26 123.48 2i8n h ALA 92 Ca 0.12 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2i8n h ALA 92 Cb 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2i8n h ALA 92 CO -0.02 -0.17 0.49 0.00 0.00 0.00 0.00 179.25 179.55 2i8n h ARG 93 N 0.40 0.96 -0.79 0.00 3.08 -1.26 -1.55 114.38 115.22 2i8n h ARG 93 Ca 0.19 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.20 2i8n h ARG 93 Cb 0.12 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 2i8n h ARG 93 CO -0.15 0.64 0.52 -0.22 -1.07 0.00 0.00 179.97 179.68 2i8n h LYS 94 N 0.99 1.01 -0.07 0.04 1.63 -0.52 0.12 116.57 119.77 2i8n h LYS 94 Ca 0.27 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.88 2i8n h LYS 94 Cb -0.10 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.29 2i8n h LYS 94 CO -0.06 0.67 -0.54 -0.07 -3.45 0.00 0.00 179.45 175.99 2i8n h LEU 95 N 1.04 0.21 -0.24 5.20 3.38 -0.99 -2.81 115.31 121.10 2i8n h LEU 95 Ca 0.30 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2i8n h LEU 95 Cb -0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2i8n h LEU 95 CO -0.08 0.71 -0.20 -0.61 0.09 0.00 0.00 178.44 178.35 2i8n h GLN 96 N 0.15 0.56 -0.32 1.13 4.15 -0.56 -1.45 115.11 118.76 2i8n h GLN 96 Ca 0.00 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 2i8n h GLN 96 Cb 1.01 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 2i8n h GLN 96 CO 0.08 0.86 0.20 0.22 -1.93 0.00 0.00 178.83 178.26 2i8n h ASP 97 N 0.26 0.38 -0.44 -0.69 3.58 -0.97 0.20 116.42 118.74 2i8n h ASP 97 Ca 0.04 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2i8n h ASP 97 Cb 0.74 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2i8n h ASP 97 CO 0.05 0.31 0.01 1.62 -2.88 0.00 0.00 179.24 178.36 2i8n h VAL 98 N 0.42 1.26 0.02 2.25 3.04 -1.53 -1.47 116.25 120.25 2i8n h VAL 98 Ca 0.12 -1.01 -0.00 0.00 -1.01 0.00 0.00 66.70 64.79 2i8n h VAL 98 Cb -0.00 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 2i8n h VAL 98 CO -0.02 0.35 -0.01 -0.26 -1.01 0.00 0.00 177.57 176.62 2i8n h PHE 99 N 0.62 -0.03 -0.39 3.17 -1.00 -1.06 -1.07 116.94 117.17 2i8n h PHE 99 Ca 0.13 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.94 2i8n h PHE 99 Cb 0.47 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.01 2i8n h PHE 99 CO 0.04 0.18 0.18 1.49 -1.61 0.00 0.00 178.31 178.59 2i8n h GLU 100 N -0.24 0.35 -0.39 1.51 4.22 -0.60 0.55 114.58 119.98 2i8n h GLU 100 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2i8n h GLU 100 Cb 0.23 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2i8n h GLU 100 CO 0.01 0.23 0.26 0.52 -2.18 0.00 0.00 179.01 177.84 2i8n h MET 101 N 0.36 0.52 -0.31 1.92 2.86 -1.21 -0.62 114.93 118.45 2i8n h MET 101 Ca 0.17 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 2i8n h MET 101 Cb 0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2i8n h MET 101 CO -0.14 0.35 -0.11 -0.09 1.06 0.00 0.00 176.91 177.99 2i8n h ARG 102 N 0.53 0.62 -0.45 1.72 9.65 -0.80 -2.40 114.38 123.25 2i8n h ARG 102 Ca 0.14 -0.25 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 2i8n h ARG 102 Cb -0.05 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.46 2i8n h ARG 102 CO -0.03 0.82 0.22 0.74 2.80 0.00 0.00 179.97 184.52 2i8n h PHE 103 N 0.38 0.40 -0.51 2.20 0.04 0.29 0.01 116.94 119.76 2i8n h PHE 103 Ca 0.07 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2i8n h PHE 103 Cb 0.61 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 2i8n h PHE 103 CO 0.06 0.20 0.13 0.00 -0.60 0.00 0.00 178.31 178.10 2i8n h ALA 104 N 1.24 1.29 -0.22 2.45 0.00 -1.09 -0.20 119.26 122.73 2i8n h ALA 104 Ca 0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2i8n h ALA 104 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2i8n h ALA 104 CO -0.14 0.50 -0.16 0.87 0.00 0.00 0.00 179.25 180.32 2i8n h LYS 105 N 0.74 0.51 -0.14 0.00 1.79 -0.84 0.55 116.57 119.18 2i8n h LYS 105 Ca 0.17 -0.25 -0.12 0.00 -2.18 0.00 0.00 60.65 58.27 2i8n h LYS 105 Cb 0.26 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2i8n h LYS 105 CO -0.00 0.81 -0.43 0.00 -1.08 0.00 0.00 179.45 178.75 2i8n h MET 106 N 0.20 0.32 0.15 3.15 -0.00 -0.83 -3.25 114.93 114.67 2i8n h MET 106 Ca 0.04 -0.16 -0.28 0.00 -0.00 0.00 0.00 59.70 59.30 2i8n h MET 106 Cb 0.69 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.30 2i8n h MET 106 CO 0.04 0.69 -1.36 1.25 -0.00 0.00 0.00 176.91 177.54 2i8n h LEU 107 N 0.26 0.51 0.00 -0.10 6.46 -1.00 -3.51 115.31 117.92 2i8n h LEU 107 Ca 0.02 -0.90 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 2i8n h LEU 107 Cb 0.87 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2i8n h LEU 107 CO 0.07 1.62 0.00 0.00 -0.62 0.00 0.00 178.44 179.51