#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 0.96 -0.24 5.31 4.20 -1.99 -1.20 115.11 122.14 2i8n h GLN 2 Ca 0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2i8n h GLN 2 Cb 0.00 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2i8n h GLN 2 CO 0.00 0.72 0.09 -0.07 -0.67 0.00 0.00 178.83 178.90 2i8n h LEU 3 N 0.96 0.34 -0.58 1.46 3.38 -1.95 -0.76 115.31 118.16 2i8n h LEU 3 Ca 0.24 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2i8n h LEU 3 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2i8n h LEU 3 CO -0.04 0.43 0.17 0.50 0.09 0.00 0.00 178.44 179.60 2i8n h LYS 4 N 0.23 0.92 -0.48 1.13 3.11 -1.94 -2.39 116.57 117.14 2i8n h LYS 4 Ca 0.08 -0.20 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 2i8n h LYS 4 Cb 0.20 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 2i8n h LYS 4 CO -0.00 0.83 0.22 0.00 -2.81 0.00 0.00 179.45 177.69 2i8n h SER 7 N 1.24 0.92 -0.41 0.00 0.87 -1.09 -1.45 113.55 113.64 2i8n h SER 7 Ca 0.38 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.96 2i8n h SER 7 Cb -0.02 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2i8n h SER 7 CO -0.11 0.60 0.25 1.23 -0.53 0.00 0.00 176.83 178.28 2i8n h GLY 8 N 1.07 0.57 0.89 5.77 0.00 -1.20 0.29 103.07 110.46 2i8n h GLY 8 Ca 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2i8n h GLY 8 CO -0.16 0.18 0.08 -2.22 0.00 0.00 0.00 176.54 174.43 2i8n h ILE 9 N 0.52 1.20 -0.49 2.60 2.04 -1.35 -2.73 117.51 119.31 2i8n h ILE 9 Ca 0.16 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2i8n h ILE 9 Cb -0.03 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2i8n h ILE 9 CO -0.05 0.22 0.16 -0.07 0.00 0.00 0.00 178.15 178.40 2i8n h LEU 10 N 0.29 0.65 -1.66 1.44 3.38 -1.05 -2.38 115.31 115.98 2i8n h LEU 10 Ca 0.09 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2i8n h LEU 10 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2i8n h LEU 10 CO -0.00 0.62 0.31 0.50 0.09 0.00 0.00 178.44 179.96 2i8n h LYS 11 N 0.70 0.42 -0.72 1.13 3.64 -0.11 -1.64 116.57 119.99 2i8n h LYS 11 Ca 0.16 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2i8n h LYS 11 Cb 0.20 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2i8n h LYS 11 CO -0.01 0.28 0.47 1.49 -2.27 0.00 0.00 179.45 179.41 2i8n h GLU 12 N 0.43 0.82 -0.78 1.90 4.81 -1.27 0.64 114.58 121.13 2i8n h GLU 12 Ca 0.20 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2i8n h GLU 12 Cb 0.24 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2i8n h GLU 12 CO -0.05 0.54 0.51 0.52 -0.73 0.00 0.00 179.01 179.81 2i8n h MET 13 N 0.85 0.81 -0.33 1.92 2.86 -1.40 -1.53 114.93 118.11 2i8n h MET 13 Ca 0.29 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2i8n h MET 13 Cb 0.10 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2i8n h MET 13 CO -0.09 0.54 0.00 1.19 1.06 0.00 0.00 176.91 179.61 2i8n n PHE 14 N -4.48 0.60 -0.47 -0.22 3.01 -0.53 -0.80 117.46 114.58 2i8n n PHE 14 Ca 0.12 -0.60 0.07 0.00 1.01 0.00 0.00 57.45 58.05 2i8n n PHE 14 Cb 0.22 -0.10 0.33 0.00 -0.01 0.00 0.00 39.48 39.92 2i8n n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i8n n ALA 15 N 0.26 3.40 -1.72 4.37 0.00 0.21 -4.89 120.51 122.15 2i8n n ALA 15 Ca 0.14 -1.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.00 2i8n n ALA 15 Cb 0.55 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 0.70 -0.61 -0.01 0.00 4.01 -1.25 -4.89 118.16 116.11 2i8n n LYS 16 Ca 0.23 0.58 -0.01 0.00 -0.51 0.00 0.00 58.31 58.60 2i8n n LYS 16 Cb 0.94 -4.49 -0.01 0.00 -0.51 0.00 0.00 35.03 30.96 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2i8n n LYS 17 N -2.25 2.17 -0.48 1.97 5.02 -1.15 -4.79 118.16 118.64 2i8n n LYS 17 Ca -0.09 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.24 2i8n n LYS 17 Cb 0.43 -1.03 0.06 0.00 -0.02 0.00 0.00 35.03 34.46 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 -2.27 0.00 0.05 2.13 8.25 -0.65 -4.81 115.22 117.92 2i8n n HIS 18 Ca -0.03 -0.46 -0.09 0.00 -0.26 0.00 0.00 57.72 56.88 2i8n n HIS 18 Cb 0.54 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 31.60 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 0.17 0.67 -0.24 -1.41 0.00 -1.15 -1.01 119.26 116.29 2i8n h ALA 19 Ca -0.02 -0.58 -0.20 0.00 0.00 0.00 0.00 54.91 54.11 2i8n h ALA 19 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2i8n h ALA 19 CO 0.01 0.75 -0.61 0.00 0.00 0.00 0.00 179.25 179.39 2i8n h ALA 20 N 1.00 0.39 -0.06 0.00 0.00 -1.87 0.29 119.26 119.00 2i8n h ALA 20 Ca -0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 2i8n h ALA 20 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2i8n h ALA 20 CO 0.11 0.66 -0.72 1.88 0.00 0.00 0.00 179.25 181.18 2i8n h TYR 21 N 0.60 0.46 -0.40 0.00 -1.99 -1.90 -3.24 116.97 110.50 2i8n h TYR 21 Ca -0.01 -0.20 -0.19 0.00 2.00 0.00 0.00 58.73 60.33 2i8n h TYR 21 Cb 1.23 -0.07 -0.11 0.00 2.00 0.00 0.00 36.73 39.78 2i8n h TYR 21 CO 0.08 0.95 -0.01 0.00 -0.00 0.00 0.00 178.16 179.18 2i8n n ALA 22 N -2.50 4.28 0.06 3.88 0.00 -0.39 -4.72 120.51 121.13 2i8n n ALA 22 Ca -0.04 -3.03 -0.13 0.00 0.00 0.00 0.00 53.44 50.24 2i8n n ALA 22 Cb 0.70 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 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 1.09 -0.16 -0.20 0.00 7.01 -0.45 -3.16 115.95 120.08 2i8n h TRP 23 Ca 0.23 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.23 2i8n h TRP 23 Cb 1.74 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.85 2i8n h TRP 23 CO 1.03 0.23 0.00 -0.35 -2.79 0.00 0.00 178.44 176.55 2i8n n PRO 24 N -4.98 1.55 -2.83 2.65 -0.04 -1.26 -4.11 135.00 125.98 2i8n n PRO 24 Ca -0.09 -0.76 -0.20 0.00 -0.04 0.00 0.00 63.50 62.41 2i8n n PRO 24 Cb 0.24 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2i8n n PRO 24 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2i8n n PHE 25 N 0.11 2.21 0.08 0.54 3.01 -1.19 -4.86 117.46 117.36 2i8n n PHE 25 Ca 0.07 -3.47 0.00 0.00 1.01 0.00 0.00 57.45 55.06 2i8n n PHE 25 Cb 0.21 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 2i8n n PHE 25 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2i8n n TYR 26 N -0.12 -1.44 -2.05 1.38 9.36 -1.25 -4.36 117.16 118.68 2i8n n TYR 26 Ca 0.26 0.25 -0.39 0.00 3.32 0.00 0.00 57.90 61.35 2i8n n TYR 26 Cb 0.62 0.50 -0.00 0.00 -0.63 0.00 0.00 39.34 39.83 2i8n n TYR 26 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2i8n s LYS 27 N -1.61 3.87 0.83 2.98 1.02 -1.26 -0.73 119.74 124.84 2i8n s LYS 27 Ca 0.00 2.12 -0.13 0.00 0.02 0.00 0.00 55.97 57.98 2i8n s LYS 27 Cb 0.00 -2.67 0.06 0.00 -0.52 0.00 0.00 37.83 34.70 2i8n s LYS 27 CO 0.00 -0.56 0.96 -2.30 -0.92 0.00 0.00 175.35 172.53 2i8n n PRO 28 N -0.05 0.05 -3.16 -1.68 -0.02 -1.26 -4.87 135.00 124.01 2i8n n PRO 28 Ca 0.05 0.09 -0.45 0.00 -2.02 0.00 0.00 63.50 61.16 2i8n n PRO 28 Cb 0.44 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 2i8n n PRO 28 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2i8n s VAL 29 N -2.19 5.43 -0.34 -1.45 -7.23 -1.26 -5.00 120.40 108.36 2i8n s VAL 29 Ca 0.69 -2.68 -0.27 0.00 -1.81 0.00 0.00 61.98 57.91 2i8n s VAL 29 Cb -0.28 -4.69 -0.05 0.00 0.56 0.00 0.00 36.38 31.92 2i8n s VAL 29 CO 0.55 -1.33 2.16 -1.81 -0.31 0.00 0.00 175.10 174.36 2i8n s ASP 30 N 2.32 5.25 0.27 4.85 1.11 -1.26 -4.85 116.67 124.37 2i8n s ASP 30 Ca 0.32 1.43 -0.03 0.00 0.18 0.00 0.00 52.55 54.44 2i8n s ASP 30 Cb -0.07 -2.51 0.36 0.00 1.07 0.00 0.00 42.92 41.77 2i8n s ASP 30 CO -0.06 -2.19 1.90 1.62 1.18 0.00 0.00 175.17 177.61 2i8n h VAL 31 N 7.21 1.23 -0.13 -1.27 3.04 -1.94 0.42 116.25 124.81 2i8n h VAL 31 Ca -0.34 -0.57 -0.11 0.00 -1.01 0.00 0.00 66.70 64.66 2i8n h VAL 31 Cb 1.23 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2i8n h VAL 31 CO 1.05 0.26 -0.37 -0.33 -1.01 0.00 0.00 177.57 177.17 2i8n h GLU 32 N 1.08 0.47 -0.03 4.17 5.08 -1.94 0.34 114.58 123.74 2i8n h GLU 32 Ca 0.27 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2i8n h GLU 32 Cb 0.03 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2i8n h GLU 32 CO -0.04 0.96 -0.08 0.00 -1.00 0.00 0.00 179.01 178.85 2i8n h ALA 33 N 0.52 0.05 0.00 3.43 0.00 -1.92 -3.29 119.26 118.05 2i8n h ALA 33 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2i8n h ALA 33 Cb 0.98 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2i8n h ALA 33 CO 0.08 -0.09 -0.26 -0.07 0.00 0.00 0.00 179.25 178.91 2i8n h LEU 34 N -0.44 0.00 -2.47 0.00 3.38 -0.28 -3.49 115.31 112.02 2i8n h LEU 34 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2i8n h LEU 34 Cb 0.67 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.52 2i8n h LEU 34 CO 0.02 0.15 -0.43 0.61 0.09 0.00 0.00 178.44 178.88 2i8n n GLY 35 N 1.15 -0.10 2.56 0.83 0.00 0.11 -5.01 105.19 104.74 2i8n n GLY 35 Ca 0.03 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.44 3.05 0.09 0.99 -0.00 -0.84 -4.88 117.00 112.97 2i8n n LEU 36 Ca -0.07 -5.37 0.09 0.00 -0.00 0.00 0.00 56.01 50.67 2i8n n LEU 36 Cb 0.57 -0.19 0.42 0.00 -0.00 0.00 0.00 43.42 44.21 2i8n n LEU 36 CO 0.30 2.23 0.79 1.41 -0.00 0.00 0.00 177.39 182.12 2i8n n HIS 37 N 0.36 0.52 0.24 1.47 8.25 -1.26 -2.08 115.22 122.73 2i8n n HIS 37 Ca 0.28 0.22 0.14 0.00 -0.26 0.00 0.00 57.72 58.10 2i8n n HIS 37 Cb 0.46 -0.85 0.37 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.59 0.41 5.19 -1.98 -3.17 116.42 116.28 2i8n h ASP 38 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2i8n h ASP 38 Cb 0.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 2i8n h ASP 38 CO 0.00 0.01 0.39 0.22 -3.12 0.00 0.00 179.24 176.73 2i8n h TYR 39 N 0.00 0.71 -0.63 4.55 5.03 -1.78 -1.79 116.97 123.07 2i8n h TYR 39 Ca -0.00 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 2i8n h TYR 39 Cb 0.82 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 2i8n h TYR 39 CO 0.00 0.44 0.13 0.00 -1.32 0.00 0.00 178.16 177.41 2i8n h ASP 41 N 0.95 1.01 -0.06 0.00 3.58 -1.50 -3.19 116.42 117.20 2i8n h ASP 41 Ca 0.20 -0.33 -0.13 0.00 0.42 0.00 0.00 57.03 57.18 2i8n h ASP 41 Cb 0.37 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.16 2i8n h ASP 41 CO 0.00 1.12 -0.46 0.40 -2.88 0.00 0.00 179.24 177.42 2i8n h ILE 42 N 0.89 1.41 -3.73 2.25 2.04 -1.13 -3.45 117.51 115.79 2i8n h ILE 42 Ca 0.14 -1.87 -0.30 0.00 1.00 0.00 0.00 64.86 63.83 2i8n h ILE 42 Cb 0.68 2.37 -0.30 0.00 -0.74 0.00 0.00 36.82 38.82 2i8n h ILE 42 CO 0.05 0.55 -0.74 -0.63 0.00 0.00 0.00 178.15 177.38 2i8n s ILE 43 N -3.52 0.21 -0.13 -0.67 1.09 0.11 -5.04 121.20 113.25 2i8n s ILE 43 Ca -0.13 -0.06 0.18 0.00 -1.10 0.00 0.00 60.65 59.54 2i8n s ILE 43 Cb 0.04 -0.22 -0.18 0.00 -1.06 0.00 0.00 42.46 41.05 2i8n s ILE 43 CO 0.81 0.09 0.67 2.29 -0.10 0.00 0.00 174.94 178.69 2i8n n LYS 44 N 3.34 0.64 -3.64 2.79 2.85 -1.25 -3.81 118.16 119.08 2i8n n LYS 44 Ca -0.17 0.13 -0.36 0.00 -1.05 0.00 0.00 58.31 56.86 2i8n n LYS 44 Cb 0.56 -1.72 -0.06 0.00 -0.65 0.00 0.00 35.03 33.15 2i8n n LYS 44 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2i8n n HIS 45 N -2.77 4.18 -2.22 5.58 8.25 -1.26 -5.07 115.22 121.90 2i8n n HIS 45 Ca -0.12 -4.13 -0.33 0.00 -0.26 0.00 0.00 57.72 52.88 2i8n n HIS 45 Cb 0.84 -1.12 -0.01 0.00 1.12 0.00 0.00 29.99 30.83 2i8n n HIS 45 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2i8n s PRO 46 N -1.43 3.55 0.01 -0.41 0.04 -1.26 -4.94 135.00 130.56 2i8n s PRO 46 Ca 0.28 1.18 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 2i8n s PRO 46 Cb -0.06 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.50 2i8n s PRO 46 CO -0.13 -0.62 0.83 1.41 0.04 0.00 0.00 177.00 178.54 2i8n s MET 47 N -3.92 0.90 0.13 4.56 1.75 -1.26 -5.14 119.30 116.33 2i8n s MET 47 Ca 0.63 -0.28 -0.06 0.00 -1.25 0.00 0.00 55.69 54.74 2i8n s MET 47 Cb -0.15 0.42 -0.02 0.00 2.84 0.00 0.00 34.83 37.92 2i8n s MET 47 CO 0.32 -0.38 0.16 -0.51 -0.65 0.00 0.00 175.02 173.96 2i8n s ASP 48 N -2.38 0.18 0.39 1.11 1.01 -1.26 -4.94 116.67 110.79 2i8n s ASP 48 Ca 0.03 -0.96 0.12 0.00 0.71 0.00 0.00 52.55 52.45 2i8n s ASP 48 Cb -0.01 0.35 0.92 0.00 1.01 0.00 0.00 42.92 45.20 2i8n s ASP 48 CO -0.08 -0.79 1.92 -0.03 0.21 0.00 0.00 175.17 176.40 2i8n h MET 49 N 2.74 0.54 -0.52 8.23 4.05 -1.76 -0.36 114.93 127.86 2i8n h MET 49 Ca -0.33 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 58.95 2i8n h MET 49 Cb 1.21 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 2i8n h MET 49 CO 0.55 0.36 -0.07 1.03 0.23 0.00 0.00 176.91 179.01 2i8n h SER 50 N 0.56 0.96 -0.53 1.39 0.87 -1.26 -1.44 113.55 114.10 2i8n h SER 50 Ca 0.38 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 2i8n h SER 50 Cb 0.68 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2i8n h SER 50 CO -0.14 1.07 -0.06 0.74 -0.53 0.00 0.00 176.83 177.91 2i8n h THR 51 N 0.83 1.27 -0.34 2.23 2.02 -1.37 0.12 112.91 117.66 2i8n h THR 51 Ca 0.14 -1.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 2i8n h THR 51 Cb 0.62 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2i8n h THR 51 CO 0.04 0.42 -0.04 0.40 0.37 0.00 0.00 175.52 176.71 2i8n h ILE 52 N 0.85 1.27 -0.38 3.11 2.04 -1.16 -2.97 117.51 120.28 2i8n h ILE 52 Ca 0.14 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 2i8n h ILE 52 Cb 0.62 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2i8n h ILE 52 CO 0.04 0.35 -0.15 0.11 0.00 0.00 0.00 178.15 178.49 2i8n h LYS 53 N 0.43 0.71 -0.81 2.37 1.57 -1.19 -3.02 116.57 116.64 2i8n h LYS 53 Ca 0.09 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2i8n h LYS 53 Cb 0.52 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 2i8n h LYS 53 CO 0.03 0.82 0.50 0.66 -0.57 0.00 0.00 179.45 180.88 2i8n h SER 54 N 0.63 0.78 -0.04 0.86 4.64 -0.85 0.32 113.55 119.90 2i8n h SER 54 Ca 0.10 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2i8n h SER 54 Cb 0.62 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2i8n h SER 54 CO 0.04 0.51 0.02 0.11 -0.87 0.00 0.00 176.83 176.64 2i8n h LYS 55 N 0.92 0.05 -0.43 4.77 1.57 -1.40 -2.46 116.57 119.60 2i8n h LYS 55 Ca 0.35 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2i8n h LYS 55 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2i8n h LYS 55 CO -0.16 0.17 0.18 1.25 -0.57 0.00 0.00 179.45 180.32 2i8n h LEU 56 N -0.08 0.54 -0.95 2.94 6.46 -1.33 0.28 115.31 123.17 2i8n h LEU 56 Ca 0.01 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2i8n h LEU 56 Cb 0.14 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 2i8n h LEU 56 CO -0.00 0.48 0.63 -0.33 -0.62 0.00 0.00 178.44 178.60 2i8n h GLU 57 N 0.60 1.22 -0.60 1.25 5.08 0.00 -1.36 114.58 120.77 2i8n h GLU 57 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2i8n h GLU 57 Cb 0.11 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2i8n h GLU 57 CO -0.02 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 2i8n n ALA 58 N -2.36 2.87 -2.18 3.43 0.00 -0.91 -4.89 120.51 116.47 2i8n n ALA 58 Ca 0.12 -0.88 -0.17 0.00 0.00 0.00 0.00 53.44 52.51 2i8n n ALA 58 Cb 0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 2i8n n ALA 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i8n n ARG 59 N 0.49 -1.30 0.05 0.00 0.63 -0.51 -4.90 116.66 111.11 2i8n n ARG 59 Ca 0.14 0.85 -0.15 0.00 -0.92 0.00 0.00 57.85 57.77 2i8n n ARG 59 Cb 0.56 -5.24 -0.06 0.00 0.45 0.00 0.00 32.46 28.17 2i8n n ARG 59 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2i8n h GLU 60 N 0.00 0.53 -6.14 -0.14 5.08 -0.65 -3.41 114.58 109.85 2i8n h GLU 60 Ca -0.39 -0.55 -0.51 0.00 -1.00 0.00 0.00 59.36 56.92 2i8n h GLU 60 Cb 1.26 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.59 2i8n h GLU 60 CO 0.47 1.17 1.18 0.71 -1.00 0.00 0.00 179.01 181.55 2i8n s TYR 61 N -3.36 2.08 0.14 4.33 2.02 -1.24 -4.82 117.35 116.50 2i8n s TYR 61 Ca -0.07 0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 2i8n s TYR 61 Cb 0.08 -4.42 -0.11 0.00 -0.40 0.00 0.00 41.96 37.11 2i8n s TYR 61 CO 0.88 -2.09 1.31 0.00 -1.57 0.00 0.00 175.55 174.08 2i8n h ARG 62 N 11.61 0.12 -5.74 -0.62 3.08 -1.97 -3.46 114.38 117.40 2i8n h ARG 62 Ca -0.16 -0.16 -0.54 0.00 0.07 0.00 0.00 59.98 59.19 2i8n h ARG 62 Cb 1.07 0.05 -0.27 0.00 0.08 0.00 0.00 29.97 30.90 2i8n h ARG 62 CO 1.28 1.00 -0.83 0.16 -1.07 0.00 0.00 179.97 180.50 2i8n s ASP 63 N -6.88 2.12 0.54 7.04 -4.77 -1.26 -5.02 116.67 108.44 2i8n s ASP 63 Ca -0.01 -0.41 0.35 0.00 -3.30 0.00 0.00 52.55 49.17 2i8n s ASP 63 Cb 0.10 -0.20 1.53 0.00 -1.09 0.00 0.00 42.92 43.26 2i8n s ASP 63 CO 0.83 0.17 2.03 0.00 0.70 0.00 0.00 175.17 178.89 2i8n h ALA 64 N 5.30 1.00 -0.17 2.11 0.00 -1.94 -3.04 119.26 122.52 2i8n h ALA 64 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2i8n h ALA 64 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2i8n h ALA 64 CO 0.46 0.00 0.07 0.37 0.00 0.00 0.00 179.25 180.15 2i8n h GLN 65 N 0.00 0.25 -0.71 0.00 5.75 -1.99 -1.97 115.11 116.43 2i8n h GLN 65 Ca 0.00 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2i8n h GLN 65 Cb 0.39 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 2i8n h GLN 65 CO 0.00 0.31 0.33 1.49 -2.65 0.00 0.00 178.83 178.31 2i8n h GLU 66 N 0.12 1.02 0.35 1.69 4.81 -1.96 -0.15 114.58 120.47 2i8n h GLU 66 Ca 0.06 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2i8n h GLU 66 Cb 0.16 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2i8n h GLU 66 CO -0.01 0.80 -0.19 0.35 -0.73 0.00 0.00 179.01 179.23 2i8n h PHE 67 N 1.02 -0.50 -0.27 0.92 3.04 -1.52 -2.29 116.94 117.33 2i8n h PHE 67 Ca 0.25 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.09 2i8n h PHE 67 Cb 0.13 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 2i8n h PHE 67 CO 0.01 -0.31 -0.23 0.78 -2.02 0.00 0.00 178.31 176.55 2i8n h GLY 68 N -0.51 0.55 1.26 2.40 0.00 -1.23 -2.88 103.07 102.66 2i8n h GLY 68 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 46.88 2i8n h GLY 68 CO 0.06 0.40 0.44 0.00 0.00 0.00 0.00 176.54 177.43 2i8n h ALA 69 N 1.31 1.61 -0.14 3.60 0.00 -0.83 -0.98 119.26 123.83 2i8n h ALA 69 Ca 0.07 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 2i8n h ALA 69 Cb 0.64 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2i8n h ALA 69 CO 0.05 0.33 -0.80 -0.44 0.00 0.00 0.00 179.25 178.38 2i8n h ASP 70 N 0.81 0.95 -0.12 0.00 3.32 -1.21 -1.62 116.42 118.54 2i8n h ASP 70 Ca 0.26 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 2i8n h ASP 70 Cb 0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2i8n h ASP 70 CO -0.07 1.43 0.04 0.58 -1.72 0.00 0.00 179.24 179.51 2i8n h VAL 71 N 0.54 1.17 -0.63 -1.35 2.07 -1.24 0.82 116.25 117.62 2i8n h VAL 71 Ca -0.06 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2i8n h VAL 71 Cb 1.43 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2i8n h VAL 71 CO 0.16 0.15 0.10 0.08 0.02 0.00 0.00 177.57 178.09 2i8n h ARG 72 N 0.03 1.03 -0.28 1.57 0.11 -1.26 -0.48 114.38 115.11 2i8n h ARG 72 Ca 0.04 -0.27 -0.03 0.00 0.10 0.00 0.00 59.98 59.82 2i8n h ARG 72 Cb 0.20 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 2i8n h ARG 72 CO -0.00 0.95 0.06 1.25 0.10 0.00 0.00 179.97 182.33 2i8n h LEU 73 N 0.97 0.43 -0.55 0.08 6.46 -1.13 -2.61 115.31 118.97 2i8n h LEU 73 Ca 0.19 -0.24 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 2i8n h LEU 73 Cb 0.42 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 2i8n h LEU 73 CO 0.01 0.56 0.06 -0.03 -0.62 0.00 0.00 178.44 178.42 2i8n h MET 74 N 0.28 0.92 -0.61 1.25 4.05 -0.69 -2.69 114.93 117.44 2i8n h MET 74 Ca 0.09 -0.26 0.07 0.00 -0.28 0.00 0.00 59.70 59.31 2i8n h MET 74 Cb 0.30 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 30.95 2i8n h MET 74 CO 0.00 0.90 0.30 0.74 0.23 0.00 0.00 176.91 179.09 2i8n h PHE 75 N 0.81 0.54 -0.81 1.39 0.04 -1.00 0.26 116.94 118.16 2i8n h PHE 75 Ca 0.16 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 2i8n h PHE 75 Cb 0.45 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 2i8n h PHE 75 CO 0.03 0.23 0.40 1.03 -0.60 0.00 0.00 178.31 179.40 2i8n h SER 76 N 0.55 1.05 -0.20 2.17 0.87 -1.34 -0.69 113.55 115.96 2i8n h SER 76 Ca 0.28 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2i8n h SER 76 Cb 0.24 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2i8n h SER 76 CO -0.22 0.88 -0.08 0.78 -0.53 0.00 0.00 176.83 177.67 2i8n h ASN 77 N 1.14 0.41 -0.43 6.23 2.35 -0.98 -3.12 115.58 121.20 2i8n h ASN 77 Ca 0.28 -0.40 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 2i8n h ASN 77 Cb 0.10 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2i8n h ASN 77 CO -0.04 0.71 0.18 0.00 -1.65 0.00 0.00 177.43 176.64 2i8n h TYR 79 N 0.68 0.42 -0.47 0.00 3.20 -1.06 0.16 116.97 119.89 2i8n h TYR 79 Ca 0.16 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2i8n h TYR 79 Cb 0.14 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2i8n h TYR 79 CO 0.01 0.22 0.02 -0.22 -1.64 0.00 0.00 178.16 176.54 2i8n h LYS 80 N 0.41 0.77 0.18 1.82 3.64 -1.41 -3.02 116.57 118.96 2i8n h LYS 80 Ca 0.23 -0.20 -0.31 0.00 -1.27 0.00 0.00 60.65 59.11 2i8n h LYS 80 Cb 0.38 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2i8n h LYS 80 CO -0.06 0.77 -1.41 -0.92 -2.27 0.00 0.00 179.45 175.55 2i8n h TYR 81 N 0.72 0.71 -2.12 1.91 5.03 -1.16 -3.44 116.97 118.62 2i8n h TYR 81 Ca 0.15 -0.52 -0.58 0.00 2.58 0.00 0.00 58.73 60.36 2i8n h TYR 81 Cb 0.42 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 2i8n h TYR 81 CO 0.02 1.44 1.44 -0.80 -1.32 0.00 0.00 178.16 178.94 2i8n s ASN 82 N -7.32 5.61 1.01 -2.11 0.02 0.39 -4.96 114.94 107.58 2i8n s ASN 82 Ca -0.07 1.90 -0.11 0.00 -1.02 0.00 0.00 52.86 53.56 2i8n s ASN 82 Cb 0.06 -2.51 0.20 0.00 0.02 0.00 0.00 41.25 39.01 2i8n s ASN 82 CO 0.90 -1.83 1.10 -2.84 0.02 0.00 0.00 177.10 174.45 2i8n s PRO 83 N 6.06 0.31 0.56 -0.60 0.02 -1.26 -4.92 135.00 135.18 2i8n s PRO 83 Ca 0.97 1.23 -0.19 0.00 0.02 0.00 0.00 61.00 63.03 2i8n s PRO 83 Cb -0.33 -1.67 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 2i8n s PRO 83 CO 0.35 -3.01 1.12 -1.25 -0.33 0.00 0.00 177.00 173.88 2i8n s PRO 84 N -4.60 3.29 -1.33 5.54 0.04 -1.26 -3.78 135.00 132.89 2i8n s PRO 84 Ca 0.67 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 2i8n s PRO 84 Cb -0.23 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2i8n s PRO 84 CO 0.60 -0.89 0.68 -0.25 0.04 0.00 0.00 177.00 177.19 2i8n n ASP 85 N -1.51 -1.30 -4.43 6.66 9.92 -1.26 -4.99 116.55 119.64 2i8n n ASP 85 Ca 0.11 -0.84 -0.32 0.00 -0.53 0.00 0.00 54.79 53.21 2i8n n ASP 85 Cb 0.51 -3.93 -0.14 0.00 -0.64 0.00 0.00 41.12 36.93 2i8n n ASP 85 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2i8n s HIS 86 N -3.68 2.56 0.25 1.24 2.46 -1.25 -5.03 115.29 111.85 2i8n s HIS 86 Ca 0.05 -0.26 -0.03 0.00 0.47 0.00 0.00 55.06 55.29 2i8n s HIS 86 Cb -0.02 -1.55 0.40 0.00 -0.13 0.00 0.00 32.58 31.27 2i8n s HIS 86 CO 0.82 0.14 1.85 1.49 -2.47 0.00 0.00 174.74 176.57 2i8n h GLU 87 N 5.18 0.96 -0.31 2.88 4.57 -1.94 -1.02 114.58 124.90 2i8n h GLU 87 Ca -0.46 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2i8n h GLU 87 Cb 1.14 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 2i8n h GLU 87 CO 0.49 0.63 0.20 -0.39 -1.18 0.00 0.00 179.01 178.76 2i8n h VAL 88 N 0.99 1.06 -0.36 0.32 -1.51 -1.96 -1.92 116.25 112.86 2i8n h VAL 88 Ca 0.41 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.70 2i8n h VAL 88 Cb 0.26 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 2i8n h VAL 88 CO -0.20 0.07 0.03 0.58 -1.23 0.00 0.00 177.57 176.81 2i8n h VAL 89 N 0.38 1.25 -0.71 7.19 2.07 -1.51 -2.22 116.25 122.70 2i8n h VAL 89 Ca 0.12 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 2i8n h VAL 89 Cb 0.01 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2i8n h VAL 89 CO -0.03 0.30 0.21 0.00 0.02 0.00 0.00 177.57 178.08 2i8n h ALA 90 N 0.88 1.04 -0.65 1.67 0.00 -1.25 -2.83 119.26 118.13 2i8n h ALA 90 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2i8n h ALA 90 Cb 0.41 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2i8n h ALA 90 CO 0.01 0.64 0.37 0.52 0.00 0.00 0.00 179.25 180.80 2i8n h MET 91 N 1.05 0.90 -0.62 0.00 2.86 -1.21 -2.38 114.93 115.54 2i8n h MET 91 Ca 0.23 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2i8n h MET 91 Cb 0.30 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2i8n h MET 91 CO -0.01 0.66 0.33 0.00 1.06 0.00 0.00 176.91 178.95 2i8n h ALA 92 N 1.19 0.81 -0.27 6.32 0.00 -1.16 0.37 119.26 126.53 2i8n h ALA 92 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2i8n h ALA 92 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2i8n h ALA 92 CO -0.04 -0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.34 2i8n h ARG 93 N 0.61 0.37 -0.62 0.00 3.08 -1.34 -0.12 114.38 116.36 2i8n h ARG 93 Ca 0.28 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 2i8n h ARG 93 Cb 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2i8n h ARG 93 CO -0.19 0.33 0.04 -0.22 -1.07 0.00 0.00 179.97 178.87 2i8n h LYS 94 N 0.32 1.08 -0.68 0.04 3.64 -0.96 -1.41 116.57 118.59 2i8n h LYS 94 Ca 0.09 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 2i8n h LYS 94 Cb 0.07 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2i8n h LYS 94 CO -0.01 1.03 0.22 -0.07 -2.27 0.00 0.00 179.45 178.34 2i8n h LEU 95 N 0.98 0.97 -0.31 5.20 3.38 -0.03 -1.65 115.31 123.86 2i8n h LEU 95 Ca 0.18 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2i8n h LEU 95 Cb 0.52 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2i8n h LEU 95 CO 0.02 0.90 -0.36 -0.61 0.09 0.00 0.00 178.44 178.49 2i8n h GLN 96 N 1.01 0.79 -0.29 1.13 4.15 -0.83 -1.73 115.11 119.34 2i8n h GLN 96 Ca 0.22 -0.44 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 2i8n h GLN 96 Cb 0.28 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2i8n h GLN 96 CO -0.01 1.07 0.16 0.22 -1.93 0.00 0.00 178.83 178.35 2i8n h ASP 97 N 0.56 0.36 -0.43 -0.69 3.58 -1.04 0.18 116.42 118.93 2i8n h ASP 97 Ca 0.04 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 2i8n h ASP 97 Cb 0.95 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 2i8n h ASP 97 CO 0.09 0.33 0.01 1.62 -2.88 0.00 0.00 179.24 178.41 2i8n h VAL 98 N 0.36 1.26 0.01 2.25 3.04 -1.33 -0.76 116.25 121.08 2i8n h VAL 98 Ca 0.10 -1.01 -0.00 0.00 -1.01 0.00 0.00 66.70 64.78 2i8n h VAL 98 Cb 0.05 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 2i8n h VAL 98 CO -0.02 0.35 -0.01 0.15 -1.01 0.00 0.00 177.57 177.03 2i8n h PHE 99 N 0.60 -0.01 -0.69 3.17 3.57 -1.15 -1.25 116.94 121.18 2i8n h PHE 99 Ca 0.12 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2i8n h PHE 99 Cb 0.47 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2i8n h PHE 99 CO 0.04 0.17 0.45 1.49 -2.23 0.00 0.00 178.31 178.23 2i8n h GLU 100 N -0.20 0.90 -0.21 1.11 4.22 -0.63 0.25 114.58 120.01 2i8n h GLU 100 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2i8n h GLU 100 Cb 0.19 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2i8n h GLU 100 CO 0.00 0.59 0.14 0.52 -2.18 0.00 0.00 179.01 178.09 2i8n h MET 101 N 0.93 0.28 -0.42 1.92 2.86 -1.03 0.45 114.93 119.92 2i8n h MET 101 Ca 0.25 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2i8n h MET 101 Cb -0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2i8n h MET 101 CO -0.06 0.19 -0.01 0.00 1.06 0.00 0.00 176.91 178.09 2i8n h ARG 102 N 0.29 0.75 -0.82 1.72 3.08 -0.92 -1.76 114.38 116.72 2i8n h ARG 102 Ca 0.08 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2i8n h ARG 102 Cb -0.03 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2i8n h ARG 102 CO -0.02 0.84 0.54 0.35 -1.07 0.00 0.00 179.97 180.61 2i8n h PHE 103 N 0.59 1.02 -0.35 3.04 3.04 -0.28 -0.52 116.94 123.47 2i8n h PHE 103 Ca 0.12 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.98 2i8n h PHE 103 Cb 0.51 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 2i8n h PHE 103 CO 0.04 0.63 -0.26 0.00 -2.02 0.00 0.00 178.31 176.70 2i8n h ALA 104 N 1.31 0.88 -0.29 2.41 0.00 -0.79 -0.66 119.26 122.13 2i8n h ALA 104 Ca 0.31 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2i8n h ALA 104 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2i8n h ALA 104 CO -0.08 0.63 -0.05 -0.22 0.00 0.00 0.00 179.25 179.53 2i8n h LYS 105 N 0.62 0.55 -0.14 0.00 3.64 -0.76 0.71 116.57 121.20 2i8n h LYS 105 Ca 0.08 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 2i8n h LYS 105 Cb 0.76 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2i8n h LYS 105 CO 0.06 0.73 -0.44 0.00 -2.27 0.00 0.00 179.45 177.54 2i8n h MET 106 N 0.32 0.33 0.19 1.90 -0.00 -1.05 -3.23 114.93 113.40 2i8n h MET 106 Ca 0.08 -0.17 -0.28 0.00 -0.00 0.00 0.00 59.70 59.33 2i8n h MET 106 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.15 2i8n h MET 106 CO 0.02 0.71 -1.27 -0.07 -0.00 0.00 0.00 176.91 176.31 2i8n h LEU 107 N 0.27 0.63 -0.74 -0.10 3.38 -1.02 -3.52 115.31 114.22 2i8n h LEU 107 Ca 0.02 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.06 2i8n h LEU 107 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2i8n h LEU 107 CO 0.07 1.60 0.00 0.00 0.09 0.00 0.00 178.44 180.20