#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 0.46 -0.20 5.31 4.20 -1.99 -2.06 115.11 120.84 2i8n h GLN 2 Ca 0.00 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 2i8n h GLN 2 Cb 0.00 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2i8n h GLN 2 CO 0.00 0.78 0.00 -0.07 -0.67 0.00 0.00 178.83 178.87 2i8n h LEU 3 N 0.39 0.34 -0.93 1.46 3.38 -1.95 -1.82 115.31 116.18 2i8n h LEU 3 Ca 0.04 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 2i8n h LEU 3 Cb 0.85 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2i8n h LEU 3 CO 0.07 0.56 -0.43 0.07 0.09 0.00 0.00 178.44 178.80 2i8n h LYS 4 N 0.11 0.22 -0.48 1.13 2.10 -2.00 -2.78 116.57 114.88 2i8n h LYS 4 Ca 0.06 -0.11 -0.11 0.00 -2.00 0.00 0.00 60.65 58.49 2i8n h LYS 4 Cb 0.38 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 2i8n h LYS 4 CO 0.01 0.62 -0.14 0.00 -2.00 0.00 0.00 179.45 177.94 2i8n h SER 7 N 1.04 0.59 -0.75 0.00 0.02 -1.36 -2.03 113.55 111.05 2i8n h SER 7 Ca 0.23 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2i8n h SER 7 Cb 0.25 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2i8n h SER 7 CO -0.01 0.37 0.49 1.23 -1.14 0.00 0.00 176.83 177.76 2i8n h GLY 8 N 0.66 1.06 0.81 -3.77 0.00 -1.41 0.21 103.07 100.64 2i8n h GLY 8 Ca 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2i8n h GLY 8 CO -0.11 0.35 0.02 -2.22 0.00 0.00 0.00 176.54 174.58 2i8n h ILE 9 N 0.98 1.23 -0.46 2.60 2.04 -1.44 -2.92 117.51 119.54 2i8n h ILE 9 Ca 0.28 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2i8n h ILE 9 Cb -0.07 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2i8n h ILE 9 CO -0.08 0.22 0.10 0.25 0.00 0.00 0.00 178.15 178.64 2i8n h LEU 10 N 0.03 0.64 -1.93 1.44 6.46 -1.25 -2.32 115.31 118.39 2i8n h LEU 10 Ca 0.05 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2i8n h LEU 10 Cb 0.32 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2i8n h LEU 10 CO 0.00 0.65 0.17 0.50 -0.62 0.00 0.00 178.44 179.14 2i8n h LYS 11 N 0.67 0.09 -0.72 1.25 3.64 -0.39 -1.40 116.57 119.71 2i8n h LYS 11 Ca 0.15 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2i8n h LYS 11 Cb 0.27 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2i8n h LYS 11 CO -0.00 0.06 0.47 1.49 -2.27 0.00 0.00 179.45 179.20 2i8n h GLU 12 N 0.09 0.82 -0.76 1.90 4.81 -1.28 0.78 114.58 120.94 2i8n h GLU 12 Ca 0.11 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2i8n h GLU 12 Cb 0.32 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2i8n h GLU 12 CO -0.01 0.54 0.50 1.98 -0.73 0.00 0.00 179.01 181.30 2i8n h MET 13 N 0.85 0.88 -0.31 1.92 4.05 -1.37 -1.68 114.93 119.26 2i8n h MET 13 Ca 0.29 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 2i8n h MET 13 Cb 0.10 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2i8n h MET 13 CO -0.09 0.58 0.00 1.19 0.23 0.00 0.00 176.91 178.83 2i8n n PHE 14 N -4.46 0.40 -0.17 1.39 3.01 -0.45 -1.82 117.46 115.36 2i8n n PHE 14 Ca 0.10 -0.26 0.06 0.00 1.01 0.00 0.00 57.45 58.35 2i8n n PHE 14 Cb 0.14 -0.01 0.27 0.00 -0.01 0.00 0.00 39.48 39.88 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 1.10 3.25 -2.92 4.37 0.00 0.26 -4.89 120.51 121.68 2i8n n ALA 15 Ca 0.15 -1.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.21 2i8n n ALA 15 Cb 0.50 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 0.56 -3.80 0.00 0.00 4.76 -1.25 -4.90 118.16 113.53 2i8n n LYS 16 Ca 0.19 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2i8n n LYS 16 Cb 0.81 -4.60 0.00 0.00 -1.84 0.00 0.00 35.03 29.40 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2i8n n LYS 17 N -2.94 0.17 -0.14 1.97 5.02 -1.11 -4.84 118.16 116.29 2i8n n LYS 17 Ca -0.04 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.33 2i8n n LYS 17 Cb 0.56 -0.80 0.10 0.00 -0.02 0.00 0.00 35.03 34.87 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 -2.04 0.00 0.08 2.13 8.25 -0.83 -4.72 115.22 118.09 2i8n n HIS 18 Ca 0.00 -0.78 -0.08 0.00 -0.26 0.00 0.00 57.72 56.61 2i8n n HIS 18 Cb 0.30 -0.12 0.04 0.00 1.12 0.00 0.00 29.99 31.32 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 0.63 -0.05 -1.41 0.00 -1.56 -0.18 119.26 116.69 2i8n h ALA 19 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.04 2i8n h ALA 19 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2i8n h ALA 19 CO 0.00 0.84 -0.85 0.00 0.00 0.00 0.00 179.25 179.24 2i8n h ALA 20 N 1.04 0.43 0.07 0.00 0.00 -1.86 -1.03 119.26 117.91 2i8n h ALA 20 Ca -0.03 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 53.96 2i8n h ALA 20 Cb 1.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2i8n h ALA 20 CO 0.12 0.77 -1.24 1.88 0.00 0.00 0.00 179.25 180.78 2i8n h TYR 21 N 0.29 0.29 -0.55 0.00 -1.99 -1.87 -3.30 116.97 109.84 2i8n h TYR 21 Ca -0.06 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.46 2i8n h TYR 21 Cb 1.46 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 40.18 2i8n h TYR 21 CO 0.06 1.19 0.00 0.00 -0.00 0.00 0.00 178.16 179.40 2i8n n ALA 22 N -2.50 3.81 0.05 3.88 0.00 -0.08 -4.56 120.51 121.11 2i8n n ALA 22 Ca -0.08 -1.97 -0.13 0.00 0.00 0.00 0.00 53.44 51.27 2i8n n ALA 22 Cb 1.00 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 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 3.79 -0.09 -0.33 0.00 7.01 -1.26 -2.30 115.95 122.78 2i8n h TRP 23 Ca 0.00 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.09 2i8n h TRP 23 Cb 1.94 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 29.02 2i8n h TRP 23 CO 1.05 0.16 0.38 -1.35 -2.79 0.00 0.00 178.44 175.88 2i8n h PRO 24 N -0.33 0.00 -0.56 2.65 0.11 -1.85 -0.76 132.00 131.26 2i8n h PRO 24 Ca -0.01 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.70 2i8n h PRO 24 Cb 0.28 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.09 2i8n h PRO 24 CO 0.02 0.00 -0.64 1.19 -0.21 0.00 0.00 178.00 178.36 2i8n n PHE 25 N -3.69 2.03 0.05 0.65 3.01 -1.10 -4.73 117.46 113.68 2i8n n PHE 25 Ca 0.05 -2.05 -0.11 0.00 1.01 0.00 0.00 57.45 56.35 2i8n n PHE 25 Cb 0.53 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 2i8n n PHE 25 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2i8n h TYR 26 N 1.83 0.58 -2.88 1.38 3.20 -0.56 -3.38 116.97 117.14 2i8n h TYR 26 Ca 0.28 -0.27 -0.45 0.00 3.14 0.00 0.00 58.73 61.43 2i8n h TYR 26 Cb 1.39 -0.08 -0.14 0.00 1.54 0.00 0.00 36.73 39.43 2i8n h TYR 26 CO 0.86 1.05 -0.70 -1.59 -1.64 0.00 0.00 178.16 176.14 2i8n s LYS 27 N -3.52 1.40 1.08 1.82 0.00 -1.26 -4.45 119.74 114.80 2i8n s LYS 27 Ca -0.06 -1.67 -0.18 0.00 0.00 0.00 0.00 55.97 54.07 2i8n s LYS 27 Cb 0.10 -1.03 0.28 0.00 0.00 0.00 0.00 37.83 37.17 2i8n s LYS 27 CO 0.85 0.08 0.62 -2.30 0.00 0.00 0.00 175.35 174.61 2i8n n PRO 28 N -0.45 -3.95 -3.90 1.78 -0.02 -1.26 -4.88 135.00 122.32 2i8n n PRO 28 Ca -0.07 -1.05 -0.29 0.00 -2.02 0.00 0.00 63.50 60.08 2i8n n PRO 28 Cb 0.62 -1.40 -0.13 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.81 2.67 -0.48 -1.45 -7.23 -1.26 -5.06 120.40 105.79 2i8n s VAL 29 Ca 0.48 -3.86 -0.27 0.00 -1.81 0.00 0.00 61.98 56.52 2i8n s VAL 29 Cb -0.09 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 2i8n s VAL 29 CO 0.40 -0.94 2.21 -1.81 -0.31 0.00 0.00 175.10 174.66 2i8n s ASP 30 N -0.97 4.85 0.32 4.85 1.01 -1.26 -4.83 116.67 120.63 2i8n s ASP 30 Ca 0.22 1.01 0.01 0.00 0.71 0.00 0.00 52.55 54.50 2i8n s ASP 30 Cb -0.12 -2.51 0.52 0.00 1.01 0.00 0.00 42.92 41.82 2i8n s ASP 30 CO -0.11 -2.58 1.92 1.62 0.21 0.00 0.00 175.17 176.24 2i8n h VAL 31 N 7.38 1.20 -0.06 -1.27 3.04 -1.95 0.45 116.25 125.03 2i8n h VAL 31 Ca -0.27 -0.55 -0.05 0.00 -1.01 0.00 0.00 66.70 64.82 2i8n h VAL 31 Cb 1.23 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2i8n h VAL 31 CO 1.14 0.23 -0.14 -0.08 -1.01 0.00 0.00 177.57 177.71 2i8n h GLU 32 N 0.83 0.20 -0.06 4.17 4.81 -1.94 0.30 114.58 122.90 2i8n h GLU 32 Ca 0.21 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2i8n h GLU 32 Cb 0.09 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2i8n h GLU 32 CO -0.03 0.74 -0.18 0.00 -0.73 0.00 0.00 179.01 178.81 2i8n h ALA 33 N 0.47 0.10 0.00 2.92 0.00 -1.93 -3.28 119.26 117.53 2i8n h ALA 33 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2i8n h ALA 33 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2i8n h ALA 33 CO 0.03 0.05 -0.24 -0.07 0.00 0.00 0.00 179.25 179.02 2i8n h LEU 34 N -0.29 0.00 -2.43 0.00 3.38 -0.22 -3.49 115.31 112.26 2i8n h LEU 34 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2i8n h LEU 34 Cb 0.81 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.69 2i8n h LEU 34 CO 0.04 0.15 -0.55 0.61 0.09 0.00 0.00 178.44 178.78 2i8n n GLY 35 N 1.15 -0.36 2.53 0.83 0.00 0.10 -5.01 105.19 104.42 2i8n n GLY 35 Ca 0.03 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.73 2.37 0.00 0.99 -0.00 -0.96 -4.90 117.00 111.76 2i8n n LEU 36 Ca -0.08 -5.10 0.11 0.00 -0.00 0.00 0.00 56.01 50.94 2i8n n LEU 36 Cb 0.59 -0.31 0.61 0.00 -0.00 0.00 0.00 43.42 44.31 2i8n n LEU 36 CO 0.39 1.94 0.87 1.57 -0.00 0.00 0.00 177.39 182.16 2i8n n HIS 37 N 1.55 0.00 0.24 1.47 -0.00 -1.26 -2.94 115.22 114.28 2i8n n HIS 37 Ca 0.25 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.57 2i8n n HIS 37 Cb 0.42 -0.19 0.37 0.00 -0.12 0.00 0.00 29.99 30.47 2i8n n HIS 37 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2i8n h ASP 38 N 0.00 0.00 -0.56 0.26 3.32 -1.99 -3.19 116.42 114.26 2i8n h ASP 38 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2i8n h ASP 38 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2i8n h ASP 38 CO 0.00 0.00 0.38 0.22 -1.72 0.00 0.00 179.24 178.12 2i8n h TYR 39 N 0.00 0.49 -0.81 4.55 5.03 -1.89 -1.16 116.97 123.18 2i8n h TYR 39 Ca -0.00 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 2i8n h TYR 39 Cb 0.81 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.89 2i8n h TYR 39 CO 0.00 0.26 0.38 0.00 -1.32 0.00 0.00 178.16 177.48 2i8n h ASP 41 N 1.16 0.91 0.08 0.00 1.82 -1.43 -3.29 116.42 115.66 2i8n h ASP 41 Ca 0.28 -0.47 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2i8n h ASP 41 Cb 0.13 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2i8n h ASP 41 CO -0.03 1.20 -0.04 0.40 -1.61 0.00 0.00 179.24 179.15 2i8n h ILE 42 N 0.64 1.16 -3.96 2.25 2.04 -1.03 -3.46 117.51 115.14 2i8n h ILE 42 Ca 0.05 -0.94 -0.27 0.00 1.00 0.00 0.00 64.86 64.70 2i8n h ILE 42 Cb 0.95 1.75 -0.21 0.00 -0.74 0.00 0.00 36.82 38.57 2i8n h ILE 42 CO 0.09 0.23 -0.73 -0.63 0.00 0.00 0.00 178.15 177.10 2i8n s ILE 43 N -4.40 0.55 -0.15 -0.67 1.09 0.13 -5.02 121.20 112.72 2i8n s ILE 43 Ca -0.15 -1.12 0.11 0.00 -1.10 0.00 0.00 60.65 58.39 2i8n s ILE 43 Cb 0.02 -0.66 -0.23 0.00 -1.06 0.00 0.00 42.46 40.52 2i8n s ILE 43 CO 0.62 -0.41 0.23 2.29 -0.10 0.00 0.00 174.94 177.58 2i8n n LYS 44 N 1.39 0.67 -3.65 2.79 2.85 -1.26 -3.88 118.16 117.07 2i8n n LYS 44 Ca -0.22 0.14 -0.36 0.00 -1.05 0.00 0.00 58.31 56.81 2i8n n LYS 44 Cb 0.55 -1.62 -0.07 0.00 -0.65 0.00 0.00 35.03 33.24 2i8n n LYS 44 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2i8n s HIS 45 N -2.53 3.75 -0.02 5.58 3.76 -1.26 -5.06 115.29 119.52 2i8n s HIS 45 Ca -0.14 -2.92 -0.30 0.00 -0.15 0.00 0.00 55.06 51.55 2i8n s HIS 45 Cb 0.07 -3.24 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 2i8n s HIS 45 CO 0.78 -0.77 1.30 -1.25 -0.85 0.00 0.00 174.74 173.95 2i8n s PRO 46 N -0.96 4.33 -0.10 8.40 0.04 -1.26 -4.94 135.00 140.50 2i8n s PRO 46 Ca 0.24 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 2i8n s PRO 46 Cb -0.11 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 30.92 2i8n s PRO 46 CO -0.10 -0.49 0.31 -1.64 0.04 0.00 0.00 177.00 175.12 2i8n s MET 47 N 2.16 0.40 0.33 4.56 -1.94 -1.26 -5.12 119.30 118.43 2i8n s MET 47 Ca 0.60 0.34 0.05 0.00 -1.71 0.00 0.00 55.69 54.97 2i8n s MET 47 Cb -0.28 0.19 -0.06 0.00 2.01 0.00 0.00 34.83 36.68 2i8n s MET 47 CO 0.25 -0.06 0.03 0.34 -0.01 0.00 0.00 175.02 175.57 2i8n s ASP 48 N -0.04 2.63 0.30 3.03 -1.08 -1.26 -4.88 116.67 115.37 2i8n s ASP 48 Ca -0.02 -1.34 0.02 0.00 -0.52 0.00 0.00 52.55 50.69 2i8n s ASP 48 Cb -0.03 -0.14 0.57 0.00 -1.46 0.00 0.00 42.92 41.87 2i8n s ASP 48 CO 0.01 -0.54 1.89 0.24 0.52 0.00 0.00 175.17 177.29 2i8n h MET 49 N 2.10 0.95 -0.49 4.34 2.86 -1.89 -0.58 114.93 122.23 2i8n h MET 49 Ca -0.41 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.14 2i8n h MET 49 Cb 1.24 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 2i8n h MET 49 CO 0.71 0.63 0.18 1.03 1.06 0.00 0.00 176.91 180.51 2i8n h SER 50 N 0.98 0.64 -0.07 1.22 0.87 -1.85 -0.93 113.55 114.41 2i8n h SER 50 Ca 0.42 -0.08 -0.21 0.00 -1.23 0.00 0.00 61.79 60.69 2i8n h SER 50 Cb 0.34 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2i8n h SER 50 CO -0.18 0.59 -0.74 0.74 -0.53 0.00 0.00 176.83 176.71 2i8n h THR 51 N 0.70 1.30 -0.28 2.23 2.02 -1.55 -1.47 112.91 115.86 2i8n h THR 51 Ca 0.17 -1.98 -0.05 0.00 0.77 0.00 0.00 66.41 65.31 2i8n h THR 51 Cb 0.16 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2i8n h THR 51 CO -0.01 0.62 -0.04 0.40 0.37 0.00 0.00 175.52 176.86 2i8n h ILE 52 N 0.50 1.27 -0.18 3.11 2.04 -0.92 -2.89 117.51 120.44 2i8n h ILE 52 Ca -0.04 -1.02 -0.12 0.00 1.00 0.00 0.00 64.86 64.68 2i8n h ILE 52 Cb 1.36 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 2i8n h ILE 52 CO 0.15 0.32 -0.41 0.11 0.00 0.00 0.00 178.15 178.32 2i8n h LYS 53 N 0.29 0.41 -0.75 2.37 1.57 -1.23 -3.06 116.57 116.16 2i8n h LYS 53 Ca 0.07 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2i8n h LYS 53 Cb 0.49 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 2i8n h LYS 53 CO 0.02 0.75 0.45 1.03 -0.57 0.00 0.00 179.45 181.14 2i8n h SER 54 N 0.34 0.71 -0.05 0.86 0.87 -1.15 0.40 113.55 115.52 2i8n h SER 54 Ca 0.03 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2i8n h SER 54 Cb 0.87 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2i8n h SER 54 CO 0.07 0.46 0.03 0.11 -0.53 0.00 0.00 176.83 176.97 2i8n h LYS 55 N 0.84 0.08 -0.21 2.24 1.57 -1.42 -2.52 116.57 117.16 2i8n h LYS 55 Ca 0.33 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2i8n h LYS 55 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2i8n h LYS 55 CO -0.16 0.15 -0.07 1.25 -0.57 0.00 0.00 179.45 180.05 2i8n h LEU 56 N -0.02 0.29 -0.95 2.94 5.85 -1.35 0.13 115.31 122.20 2i8n h LEU 56 Ca 0.02 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2i8n h LEU 56 Cb 0.10 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2i8n h LEU 56 CO -0.00 0.41 0.63 -0.33 -0.34 0.00 0.00 178.44 178.80 2i8n h GLU 57 N 0.30 1.24 -0.60 1.25 5.08 0.19 -1.34 114.58 120.70 2i8n h GLU 57 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2i8n h GLU 57 Cb 0.32 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2i8n h GLU 57 CO 0.01 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 2i8n n ALA 58 N -2.36 2.88 -2.21 3.43 0.00 -1.01 -4.89 120.51 116.35 2i8n n ALA 58 Ca 0.11 -0.93 -0.20 0.00 0.00 0.00 0.00 53.44 52.42 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 -2.13 0.00 0.00 0.00 177.50 175.37 2i8n n ARG 59 N 0.54 -1.59 0.05 0.00 0.00 -0.51 -4.88 116.66 110.28 2i8n n ARG 59 Ca 0.15 1.04 -0.06 0.00 -0.00 0.00 0.00 57.85 58.98 2i8n n ARG 59 Cb 0.58 -5.62 0.12 0.00 0.00 0.00 0.00 32.46 27.54 2i8n n ARG 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2i8n h GLU 60 N 0.00 0.39 -6.36 -0.14 5.08 -0.97 -3.41 114.58 109.17 2i8n h GLU 60 Ca -0.47 -0.23 -0.55 0.00 -1.00 0.00 0.00 59.36 57.11 2i8n h GLU 60 Cb 1.35 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 2i8n h GLU 60 CO 0.58 0.81 1.16 0.71 -1.00 0.00 0.00 179.01 181.27 2i8n s TYR 61 N -4.00 2.15 0.05 4.33 2.02 -1.25 -4.85 117.35 115.80 2i8n s TYR 61 Ca -0.06 0.59 0.09 0.00 -0.37 0.00 0.00 57.07 57.33 2i8n s TYR 61 Cb 0.12 -4.29 -0.15 0.00 -0.40 0.00 0.00 41.96 37.25 2i8n s TYR 61 CO 0.81 -2.19 1.29 -0.09 -1.57 0.00 0.00 175.55 173.79 2i8n h ARG 62 N 11.81 0.00 -3.97 -0.62 2.43 -1.98 -3.48 114.38 118.58 2i8n h ARG 62 Ca -0.28 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.77 2i8n h ARG 62 Cb 1.12 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.54 2i8n h ARG 62 CO 1.13 0.85 -0.37 0.16 -1.51 0.00 0.00 179.97 180.24 2i8n s ASP 63 N -6.61 0.08 0.29 -3.80 1.47 -1.26 -5.01 116.67 101.83 2i8n s ASP 63 Ca 0.01 -0.92 0.26 0.00 1.18 0.00 0.00 52.55 53.08 2i8n s ASP 63 Cb 0.09 0.41 0.96 0.00 -0.34 0.00 0.00 42.92 44.04 2i8n s ASP 63 CO 0.80 -0.87 1.76 0.00 0.68 0.00 0.00 175.17 177.55 2i8n h ALA 64 N 2.59 1.00 -0.41 2.11 0.00 -1.91 -3.16 119.26 119.48 2i8n h ALA 64 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2i8n h ALA 64 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2i8n h ALA 64 CO 0.50 0.00 0.17 1.96 0.00 0.00 0.00 179.25 181.88 2i8n h GLN 65 N 0.00 0.61 -0.33 0.00 4.20 -1.99 0.20 115.11 117.81 2i8n h GLN 65 Ca 0.00 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 2i8n h GLN 65 Cb 0.51 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2i8n h GLN 65 CO 0.00 0.57 -0.38 0.93 -0.67 0.00 0.00 178.83 179.28 2i8n h GLU 66 N 0.52 0.77 0.25 1.46 5.08 -1.98 -2.29 114.58 118.39 2i8n h GLU 66 Ca 0.14 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2i8n h GLU 66 Cb 0.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2i8n h GLU 66 CO -0.01 1.01 -0.12 0.35 -1.00 0.00 0.00 179.01 179.24 2i8n h PHE 67 N 0.63 -0.31 -0.86 4.33 3.04 -1.53 -2.92 116.94 119.33 2i8n h PHE 67 Ca 0.06 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.06 2i8n h PHE 67 Cb 0.93 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 39.48 2i8n h PHE 67 CO 0.05 0.02 0.56 0.78 -2.02 0.00 0.00 178.31 177.69 2i8n h GLY 68 N -0.66 1.22 1.48 2.40 0.00 -0.66 -1.40 103.07 105.46 2i8n h GLY 68 Ca -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2i8n h GLY 68 CO 0.06 0.28 0.28 0.00 0.00 0.00 0.00 176.54 177.16 2i8n h ALA 69 N 1.53 1.55 0.01 3.60 0.00 -1.38 -1.48 119.26 123.09 2i8n h ALA 69 Ca 0.37 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 2i8n h ALA 69 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2i8n h ALA 69 CO -0.13 0.38 -0.92 -0.44 0.00 0.00 0.00 179.25 178.13 2i8n h ASP 70 N 0.69 0.39 -0.10 0.00 3.32 -1.08 -2.65 116.42 116.99 2i8n h ASP 70 Ca 0.18 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2i8n h ASP 70 Cb 0.01 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2i8n h ASP 70 CO -0.03 1.12 -0.02 0.58 -1.72 0.00 0.00 179.24 179.17 2i8n h VAL 71 N 0.16 1.28 -0.32 -1.35 2.07 -0.83 -1.38 116.25 115.88 2i8n h VAL 71 Ca -0.06 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2i8n h VAL 71 Cb 1.56 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 2i8n h VAL 71 CO 0.15 0.26 0.01 0.08 0.02 0.00 0.00 177.57 178.09 2i8n h ARG 72 N -0.13 0.48 -0.08 1.57 0.11 -1.37 -2.05 114.38 112.92 2i8n h ARG 72 Ca 0.03 -0.09 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 2i8n h ARG 72 Cb 0.41 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 2i8n h ARG 72 CO 0.01 0.50 -0.04 1.25 0.10 0.00 0.00 179.97 181.79 2i8n h LEU 73 N 0.47 0.17 -0.74 0.08 5.85 -1.36 -2.60 115.31 117.17 2i8n h LEU 73 Ca 0.10 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.43 2i8n h LEU 73 Cb 0.28 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2i8n h LEU 73 CO 0.01 0.54 0.48 -0.03 -0.34 0.00 0.00 178.44 179.10 2i8n h MET 74 N -0.21 0.94 -0.60 1.25 4.05 -1.07 -1.61 114.93 117.68 2i8n h MET 74 Ca 0.02 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2i8n h MET 74 Cb 0.48 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 2i8n h MET 74 CO 0.01 0.62 0.40 0.74 0.23 0.00 0.00 176.91 178.91 2i8n h PHE 75 N 0.96 0.76 -0.58 1.39 0.04 -1.37 0.80 116.94 118.93 2i8n h PHE 75 Ca 0.29 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 2i8n h PHE 75 Cb -0.05 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 2i8n h PHE 75 CO -0.03 0.48 0.19 1.03 -0.60 0.00 0.00 178.31 179.39 2i8n h SER 76 N 0.82 0.81 -0.09 2.17 0.87 -1.04 -1.82 113.55 115.26 2i8n h SER 76 Ca 0.22 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2i8n h SER 76 Cb -0.09 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 2i8n h SER 76 CO -0.05 0.76 -0.08 0.78 -0.53 0.00 0.00 176.83 177.71 2i8n h ASN 77 N 0.85 0.22 -0.50 6.23 -0.26 -0.71 -3.12 115.58 118.29 2i8n h ASN 77 Ca 0.19 -0.48 0.05 0.00 -0.56 0.00 0.00 56.30 55.51 2i8n h ASN 77 Cb 0.24 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 2i8n h ASN 77 CO -0.01 0.65 0.33 0.00 -1.06 0.00 0.00 177.43 177.35 2i8n h TYR 79 N 0.49 1.13 -0.05 0.00 5.03 -1.27 -1.62 116.97 120.68 2i8n h TYR 79 Ca 0.21 0.03 -0.24 0.00 2.58 0.00 0.00 58.73 61.31 2i8n h TYR 79 Cb 0.23 -0.37 0.01 0.00 1.55 0.00 0.00 36.73 38.15 2i8n h TYR 79 CO -0.00 0.55 -0.93 -0.22 -1.32 0.00 0.00 178.16 176.24 2i8n h LYS 80 N 1.07 0.66 -0.20 1.82 3.64 -1.38 -3.22 116.57 118.98 2i8n h LYS 80 Ca 0.44 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2i8n h LYS 80 Cb 0.28 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2i8n h LYS 80 CO -0.19 1.25 0.13 -0.92 -2.27 0.00 0.00 179.45 177.45 2i8n h TYR 81 N 0.41 0.24 -3.28 1.91 3.20 -0.97 -3.42 116.97 115.06 2i8n h TYR 81 Ca -0.09 0.01 -0.56 0.00 3.14 0.00 0.00 58.73 61.22 2i8n h TYR 81 Cb 1.57 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.72 2i8n h TYR 81 CO 0.09 0.15 -0.20 0.54 -1.64 0.00 0.00 178.16 177.10 2i8n s ASN 82 N -6.88 6.61 0.80 -2.11 2.20 -0.68 -5.10 114.94 109.78 2i8n s ASN 82 Ca -0.06 0.81 -0.12 0.00 -0.94 0.00 0.00 52.86 52.54 2i8n s ASN 82 Cb 0.17 -2.18 0.08 0.00 -2.00 0.00 0.00 41.25 37.32 2i8n s ASN 82 CO 0.70 0.03 1.17 -2.16 -2.94 0.00 0.00 177.10 173.90 2i8n s PRO 83 N -2.51 2.03 0.02 3.55 0.04 -1.26 -4.92 135.00 131.95 2i8n s PRO 83 Ca 0.42 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 2i8n s PRO 83 Cb -0.12 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2i8n s PRO 83 CO 0.21 -1.55 1.17 -1.25 0.04 0.00 0.00 177.00 175.63 2i8n s PRO 84 N -5.56 4.43 -0.67 0.56 0.04 -1.26 -4.09 135.00 128.46 2i8n s PRO 84 Ca 0.62 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 63.35 2i8n s PRO 84 Cb -0.11 -3.42 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 2i8n s PRO 84 CO 0.49 -0.28 0.63 -3.47 0.04 0.00 0.00 177.00 174.40 2i8n n ASP 85 N 4.28 -7.01 -4.14 6.66 2.03 -1.26 -5.06 116.55 112.05 2i8n n ASP 85 Ca 0.09 -0.10 -0.11 0.00 0.52 0.00 0.00 54.79 55.19 2i8n n ASP 85 Cb 0.47 -4.77 -0.10 0.00 -0.72 0.00 0.00 41.12 36.00 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 -3.03 0.81 0.15 -0.67 2.46 -1.26 -5.06 115.29 108.70 2i8n s HIS 86 Ca 0.03 -0.85 -0.15 0.00 0.47 0.00 0.00 55.06 54.56 2i8n s HIS 86 Cb -0.00 -0.48 0.03 0.00 -0.13 0.00 0.00 32.58 31.99 2i8n s HIS 86 CO 0.66 -0.16 1.74 0.93 -2.47 0.00 0.00 174.74 175.43 2i8n h GLU 87 N 3.28 0.66 -0.05 2.88 5.08 -1.97 -2.26 114.58 122.21 2i8n h GLU 87 Ca -0.35 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 2i8n h GLU 87 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2i8n h GLU 87 CO 0.60 0.55 -0.21 -0.39 -1.00 0.00 0.00 179.01 178.56 2i8n h VAL 88 N 0.61 1.18 -0.38 3.13 -1.51 -1.97 -2.72 116.25 114.58 2i8n h VAL 88 Ca 0.16 -0.82 -0.14 0.00 -1.23 0.00 0.00 66.70 64.67 2i8n h VAL 88 Cb 0.10 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2i8n h VAL 88 CO -0.02 0.24 -0.32 0.58 -1.23 0.00 0.00 177.57 176.82 2i8n h VAL 89 N 0.07 1.28 -0.70 7.19 2.07 -1.77 -3.00 116.25 121.40 2i8n h VAL 89 Ca 0.01 -1.48 0.09 0.00 0.82 0.00 0.00 66.70 66.14 2i8n h VAL 89 Cb 0.41 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2i8n h VAL 89 CO 0.03 0.50 0.46 0.00 0.02 0.00 0.00 177.57 178.58 2i8n h ALA 90 N 0.78 1.85 -0.37 1.67 0.00 -1.09 -1.52 119.26 120.56 2i8n h ALA 90 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2i8n h ALA 90 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2i8n h ALA 90 CO 0.08 0.01 0.04 0.52 0.00 0.00 0.00 179.25 179.90 2i8n h MET 91 N 0.61 0.63 -0.24 0.00 2.86 -1.48 -2.05 114.93 115.27 2i8n h MET 91 Ca 0.32 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2i8n h MET 91 Cb 0.44 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2i8n h MET 91 CO -0.11 0.71 0.15 0.00 1.06 0.00 0.00 176.91 178.73 2i8n h ALA 92 N 0.90 0.30 -0.67 6.32 0.00 -1.23 0.31 119.26 125.18 2i8n h ALA 92 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2i8n h ALA 92 Cb 0.40 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2i8n h ALA 92 CO 0.01 -0.21 0.44 0.00 0.00 0.00 0.00 179.25 179.49 2i8n h ARG 93 N 0.32 0.86 -0.44 0.00 3.08 -1.33 0.65 114.38 117.50 2i8n h ARG 93 Ca 0.09 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2i8n h ARG 93 Cb -0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2i8n h ARG 93 CO -0.02 0.57 -0.25 -0.22 -1.07 0.00 0.00 179.97 178.98 2i8n h LYS 94 N 0.88 0.95 -0.30 0.04 3.64 -1.08 -2.41 116.57 118.30 2i8n h LYS 94 Ca 0.25 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 2i8n h LYS 94 Cb -0.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2i8n h LYS 94 CO -0.07 1.09 -0.11 1.25 -2.27 0.00 0.00 179.45 179.35 2i8n h LEU 95 N 0.79 0.47 -0.25 5.20 5.85 0.04 -1.65 115.31 125.76 2i8n h LEU 95 Ca 0.09 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2i8n h LEU 95 Cb 0.83 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2i8n h LEU 95 CO 0.07 0.62 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.98 2i8n h GLN 96 N 0.46 0.58 -0.25 1.25 4.15 -0.76 -1.65 115.11 118.90 2i8n h GLN 96 Ca 0.09 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 2i8n h GLN 96 Cb 0.47 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2i8n h GLN 96 CO 0.03 0.87 0.09 0.22 -1.93 0.00 0.00 178.83 178.11 2i8n h ASP 97 N 0.30 0.35 -0.56 -0.69 1.82 -1.25 -0.32 116.42 116.07 2i8n h ASP 97 Ca 0.05 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.47 2i8n h ASP 97 Cb 0.74 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 2i8n h ASP 97 CO 0.05 0.43 0.23 1.62 -1.61 0.00 0.00 179.24 179.96 2i8n h VAL 98 N 0.24 1.22 0.05 2.25 3.04 -1.33 -0.41 116.25 121.31 2i8n h VAL 98 Ca 0.08 -0.68 -0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2i8n h VAL 98 Cb 0.20 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 2i8n h VAL 98 CO -0.01 0.26 -0.02 0.15 -1.01 0.00 0.00 177.57 176.94 2i8n h PHE 99 N 0.77 -0.06 -0.47 3.17 3.04 -1.19 0.64 116.94 122.83 2i8n h PHE 99 Ca 0.19 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.17 2i8n h PHE 99 Cb 0.19 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 2i8n h PHE 99 CO 0.01 0.15 0.25 1.49 -2.02 0.00 0.00 178.31 178.18 2i8n h GLU 100 N -0.27 0.48 -0.32 1.11 4.22 -0.98 0.36 114.58 119.18 2i8n h GLU 100 Ca -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 2i8n h GLU 100 Cb 0.24 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2i8n h GLU 100 CO 0.01 0.32 0.15 0.52 -2.18 0.00 0.00 179.01 177.83 2i8n h MET 101 N 0.49 0.46 -0.53 1.92 2.86 -0.99 -0.91 114.93 118.22 2i8n h MET 101 Ca 0.20 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2i8n h MET 101 Cb 0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2i8n h MET 101 CO -0.13 0.43 0.12 0.00 1.06 0.00 0.00 176.91 178.39 2i8n h ARG 102 N 0.38 0.86 -0.45 1.72 -0.00 -0.47 -0.55 114.38 115.87 2i8n h ARG 102 Ca 0.11 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.98 59.37 2i8n h ARG 102 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 29.96 2i8n h ARG 102 CO -0.01 0.82 0.27 0.35 0.00 0.00 0.00 179.97 181.39 2i8n h PHE 103 N 0.75 0.60 -0.13 3.04 3.57 -0.13 0.62 116.94 125.26 2i8n h PHE 103 Ca 0.17 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2i8n h PHE 103 Cb 0.35 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2i8n h PHE 103 CO 0.02 0.42 -0.35 0.00 -2.23 0.00 0.00 178.31 176.18 2i8n h ALA 104 N 1.12 1.16 -0.17 2.41 0.00 -1.04 -1.40 119.26 121.35 2i8n h ALA 104 Ca 0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2i8n h ALA 104 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2i8n h ALA 104 CO -0.03 0.55 -0.41 -0.22 0.00 0.00 0.00 179.25 179.14 2i8n h LYS 105 N 0.24 0.57 -0.14 0.00 3.11 -0.63 0.51 116.57 120.23 2i8n h LYS 105 Ca 0.03 -0.39 -0.12 0.00 -2.81 0.00 0.00 60.65 57.36 2i8n h LYS 105 Cb 0.73 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.01 2i8n h LYS 105 CO 0.06 1.01 -0.42 0.00 -2.81 0.00 0.00 179.45 177.29 2i8n h MET 106 N 0.23 0.32 0.14 1.90 -0.00 -0.81 -3.27 114.93 113.44 2i8n h MET 106 Ca -0.00 -0.16 -0.29 0.00 -0.00 0.00 0.00 59.70 59.25 2i8n h MET 106 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.62 2i8n h MET 106 CO 0.09 0.69 -1.46 1.25 -0.00 0.00 0.00 176.91 177.48 2i8n h LEU 107 N 0.27 0.45 -0.74 -0.10 6.46 -1.26 -3.50 115.31 116.90 2i8n h LEU 107 Ca 0.02 -0.88 0.00 0.00 -0.12 0.00 0.00 57.88 56.90 2i8n h LEU 107 Cb 0.86 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2i8n h LEU 107 CO 0.07 1.65 0.00 1.67 -0.62 0.00 0.00 178.44 181.21