#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 0.82 -0.63 5.31 4.20 -1.99 -0.10 115.11 122.72 2i8n h GLN 2 Ca 0.00 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 2i8n h GLN 2 Cb 0.00 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2i8n h GLN 2 CO 0.00 0.80 0.28 -0.07 -0.67 0.00 0.00 178.83 179.17 2i8n h LEU 3 N 0.70 0.84 -0.64 1.46 3.38 -1.95 -0.77 115.31 118.34 2i8n h LEU 3 Ca 0.15 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2i8n h LEU 3 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2i8n h LEU 3 CO 0.01 0.76 -0.37 0.11 0.09 0.00 0.00 178.44 179.03 2i8n h LYS 4 N 0.87 0.65 0.02 1.13 1.57 -1.96 -1.61 116.57 117.23 2i8n h LYS 4 Ca 0.21 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2i8n h LYS 4 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2i8n h LYS 4 CO -0.02 0.92 -0.01 0.00 -0.57 0.00 0.00 179.45 179.77 2i8n h SER 7 N 1.04 1.07 -0.60 0.00 0.02 -1.27 -1.67 113.55 112.14 2i8n h SER 7 Ca 0.22 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2i8n h SER 7 Cb 0.34 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2i8n h SER 7 CO -0.00 0.75 0.38 1.23 -1.14 0.00 0.00 176.83 178.05 2i8n h GLY 8 N 1.25 0.85 0.94 -3.77 0.00 -1.15 0.15 103.07 101.33 2i8n h GLY 8 Ca 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2i8n h GLY 8 CO -0.11 0.28 0.11 -2.22 0.00 0.00 0.00 176.54 174.61 2i8n h ILE 9 N 0.77 1.22 -0.50 2.60 2.04 -1.36 -2.62 117.51 119.67 2i8n h ILE 9 Ca 0.23 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2i8n h ILE 9 Cb -0.05 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2i8n h ILE 9 CO -0.07 0.27 0.19 -0.07 0.00 0.00 0.00 178.15 178.46 2i8n h LEU 10 N 0.52 0.66 -2.06 1.44 4.07 -0.94 -2.10 115.31 116.90 2i8n h LEU 10 Ca 0.13 -0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.05 2i8n h LEU 10 Cb 0.29 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2i8n h LEU 10 CO -0.00 0.60 0.11 0.50 -1.08 0.00 0.00 178.44 178.57 2i8n h LYS 11 N 0.71 0.00 -0.71 1.13 3.64 -0.33 -1.38 116.57 119.64 2i8n h LYS 11 Ca 0.17 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2i8n h LYS 11 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2i8n h LYS 11 CO -0.01 0.00 0.47 1.49 -2.27 0.00 0.00 179.45 179.12 2i8n h GLU 12 N 0.00 0.81 -0.79 1.90 4.81 -1.28 0.58 114.58 120.61 2i8n h GLU 12 Ca 0.07 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2i8n h GLU 12 Cb 0.29 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 2i8n h GLU 12 CO -0.00 0.54 0.51 1.98 -0.73 0.00 0.00 179.01 181.31 2i8n h MET 13 N 0.83 0.84 -0.37 1.92 4.05 -1.37 -1.64 114.93 119.18 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 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 2i8n h MET 13 CO -0.08 0.55 0.00 1.19 0.23 0.00 0.00 176.91 178.80 2i8n n PHE 14 N -4.48 0.49 -0.04 1.39 3.01 -0.44 -2.04 117.46 115.36 2i8n n PHE 14 Ca 0.11 -0.35 0.07 0.00 1.01 0.00 0.00 57.45 58.29 2i8n n PHE 14 Cb 0.21 -0.01 0.26 0.00 -0.01 0.00 0.00 39.48 39.93 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 0.99 2.99 -1.83 4.37 0.00 0.19 -4.89 120.51 122.34 2i8n n ALA 15 Ca 0.15 -1.16 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 2i8n n ALA 15 Cb 0.49 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 0.72 -0.87 -0.02 0.00 5.02 -1.25 -4.88 118.16 116.89 2i8n n LYS 16 Ca 0.19 0.71 -0.02 0.00 -2.02 0.00 0.00 58.31 57.17 2i8n n LYS 16 Cb 0.70 -4.78 -0.04 0.00 -0.02 0.00 0.00 35.03 30.89 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 -2.35 3.11 -1.87 1.97 5.02 -1.14 -4.80 118.16 118.10 2i8n n LYS 17 Ca -0.13 -0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.17 2i8n n LYS 17 Cb 0.50 -1.12 0.02 0.00 -0.02 0.00 0.00 35.03 34.42 2i8n n LYS 17 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2i8n n HIS 18 N -2.15 0.18 0.02 2.13 -0.00 -0.91 -4.89 115.22 109.59 2i8n n HIS 18 Ca -0.07 -1.03 -0.20 0.00 0.46 0.00 0.00 57.72 56.88 2i8n n HIS 18 Cb 0.63 0.05 -0.14 0.00 -0.12 0.00 0.00 29.99 30.41 2i8n n HIS 18 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2i8n h ALA 19 N 1.28 0.41 -0.56 1.57 0.00 -1.60 -3.00 119.26 117.36 2i8n h ALA 19 Ca -0.27 -1.35 -0.04 0.00 0.00 0.00 0.00 54.91 53.25 2i8n h ALA 19 Cb 1.62 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 2i8n h ALA 19 CO 0.04 1.28 0.18 0.00 0.00 0.00 0.00 179.25 180.76 2i8n h ALA 20 N 0.18 0.73 0.00 0.00 0.00 -1.90 0.37 119.26 118.63 2i8n h ALA 20 Ca -0.39 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 2i8n h ALA 20 Cb 2.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2i8n h ALA 20 CO 0.11 0.39 -0.78 1.88 0.00 0.00 0.00 179.25 180.85 2i8n h TYR 21 N 0.78 0.00 -0.58 0.00 0.05 -1.93 -3.21 116.97 112.08 2i8n h TYR 21 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2i8n h TYR 21 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2i8n h TYR 21 CO 0.02 0.78 0.00 0.00 -1.05 0.00 0.00 178.16 177.91 2i8n n ALA 22 N -2.36 3.25 0.11 3.88 0.00 -1.09 -4.56 120.51 119.74 2i8n n ALA 22 Ca -0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 53.44 51.59 2i8n n ALA 22 Cb 0.78 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 2i8n n ALA 22 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2i8n h TRP 23 N 3.76 -0.33 0.00 0.00 -0.00 -0.27 -2.96 115.95 116.15 2i8n h TRP 23 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.83 2i8n h TRP 23 Cb 1.57 0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 30.83 2i8n h TRP 23 CO 0.81 0.03 -0.25 -1.35 -0.00 0.00 0.00 178.44 177.68 2i8n h PRO 24 N -0.91 0.00 -0.93 0.49 0.11 -1.81 -3.02 132.00 125.93 2i8n h PRO 24 Ca -0.04 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.52 2i8n h PRO 24 Cb 0.50 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.32 2i8n h PRO 24 CO 0.06 0.25 0.60 1.19 -0.21 0.00 0.00 178.00 179.89 2i8n n PHE 25 N -3.53 2.94 -0.09 0.65 3.72 -1.24 -4.42 117.46 115.48 2i8n n PHE 25 Ca -0.01 -2.33 -0.18 0.00 -0.05 0.00 0.00 57.45 54.89 2i8n n PHE 25 Cb 0.40 -1.08 -0.08 0.00 -0.94 0.00 0.00 39.48 37.78 2i8n n PHE 25 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2i8n n TYR 26 N -1.03 0.00 -2.97 1.38 4.19 -1.12 -4.65 117.16 112.97 2i8n n TYR 26 Ca 0.58 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 61.51 2i8n n TYR 26 Cb 1.17 -0.69 -0.02 0.00 0.49 0.00 0.00 39.34 40.29 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 -2.36 3.63 0.25 2.98 1.02 -1.26 -2.69 119.74 121.31 2i8n s LYS 27 Ca -0.26 0.18 -0.04 0.00 0.02 0.00 0.00 55.97 55.87 2i8n s LYS 27 Cb 0.09 -2.48 0.06 0.00 -0.52 0.00 0.00 37.83 34.98 2i8n s LYS 27 CO 0.37 -0.01 0.16 -2.30 -0.92 0.00 0.00 175.35 172.66 2i8n n PRO 28 N -1.56 -2.24 -3.83 -1.68 -0.02 -1.26 -4.88 135.00 119.53 2i8n n PRO 28 Ca -0.00 -0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 60.89 2i8n n PRO 28 Cb 0.55 -0.32 -0.11 0.00 -0.02 0.00 0.00 33.50 33.59 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 -1.23 3.21 -0.47 -1.45 -7.23 -1.26 -5.05 120.40 106.92 2i8n s VAL 29 Ca 0.12 -3.44 -0.27 0.00 -1.81 0.00 0.00 61.98 56.57 2i8n s VAL 29 Cb -0.02 -3.12 -0.08 0.00 0.56 0.00 0.00 36.38 33.72 2i8n s VAL 29 CO 0.10 -0.89 2.39 0.47 -0.31 0.00 0.00 175.10 176.86 2i8n n ASP 30 N 2.94 2.33 -0.11 4.85 9.92 -1.26 -4.83 116.55 130.39 2i8n n ASP 30 Ca 0.10 -0.28 -0.02 0.00 -0.53 0.00 0.00 54.79 54.06 2i8n n ASP 30 Cb 0.35 -1.51 0.21 0.00 -0.64 0.00 0.00 41.12 39.52 2i8n n ASP 30 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2i8n h VAL 31 N 7.59 1.22 -0.07 2.53 3.04 -1.95 0.36 116.25 128.98 2i8n h VAL 31 Ca -0.26 -0.81 -0.05 0.00 -1.01 0.00 0.00 66.70 64.57 2i8n h VAL 31 Cb 1.27 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2i8n h VAL 31 CO 1.13 0.30 -0.17 -0.08 -1.01 0.00 0.00 177.57 177.74 2i8n h GLU 32 N 0.76 0.23 -0.06 4.17 4.81 -1.94 0.27 114.58 122.82 2i8n h GLU 32 Ca 0.17 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2i8n h GLU 32 Cb 0.30 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2i8n h GLU 32 CO -0.00 0.76 -0.19 0.00 -0.73 0.00 0.00 179.01 178.85 2i8n h ALA 33 N 0.47 0.11 0.00 2.92 0.00 -1.94 -3.29 119.26 117.53 2i8n h ALA 33 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2i8n h ALA 33 Cb 0.77 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2i8n h ALA 33 CO 0.04 0.06 -0.26 -0.07 0.00 0.00 0.00 179.25 179.01 2i8n h LEU 34 N -0.27 0.00 -2.67 0.00 3.38 -0.40 -3.49 115.31 111.85 2i8n h LEU 34 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2i8n h LEU 34 Cb 0.81 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.68 2i8n h LEU 34 CO 0.04 0.15 -0.51 0.61 0.09 0.00 0.00 178.44 178.82 2i8n n GLY 35 N 1.15 -0.32 2.46 0.83 0.00 0.89 -5.01 105.19 105.19 2i8n n GLY 35 Ca 0.03 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.52 2.73 0.08 0.99 -0.00 -0.94 -4.89 117.00 112.44 2i8n n LEU 36 Ca -0.04 -5.21 0.10 0.00 -0.00 0.00 0.00 56.01 50.86 2i8n n LEU 36 Cb 0.57 -0.37 0.42 0.00 -0.00 0.00 0.00 43.42 44.04 2i8n n LEU 36 CO 0.35 2.00 0.80 1.41 -0.00 0.00 0.00 177.39 181.95 2i8n n HIS 37 N 1.24 0.48 0.28 1.47 8.25 -1.26 -2.27 115.22 123.40 2i8n n HIS 37 Ca 0.27 0.19 0.14 0.00 -0.26 0.00 0.00 57.72 58.05 2i8n n HIS 37 Cb 0.43 -0.80 0.38 0.00 1.12 0.00 0.00 29.99 31.12 2i8n n HIS 37 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2i8n h ASP 38 N 0.00 0.00 -0.61 0.41 3.58 -1.99 -3.20 116.42 114.61 2i8n h ASP 38 Ca 0.00 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.52 2i8n h ASP 38 Cb 0.31 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 2i8n h ASP 38 CO 0.00 0.00 0.41 0.22 -2.88 0.00 0.00 179.24 176.99 2i8n h TYR 39 N 0.00 0.58 -0.60 0.28 5.03 -1.82 -0.30 116.97 120.15 2i8n h TYR 39 Ca 0.00 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.22 2i8n h TYR 39 Cb 0.78 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 2i8n h TYR 39 CO 0.00 0.31 -0.03 0.00 -1.32 0.00 0.00 178.16 177.12 2i8n h ASP 41 N 0.97 0.74 0.01 0.00 3.58 -1.46 -3.34 116.42 116.92 2i8n h ASP 41 Ca 0.17 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 2i8n h ASP 41 Cb 0.59 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2i8n h ASP 41 CO 0.04 1.19 -0.01 0.40 -2.88 0.00 0.00 179.24 177.98 2i8n h ILE 42 N 0.47 1.24 -3.39 2.25 2.04 -0.99 -3.45 117.51 115.68 2i8n h ILE 42 Ca -0.01 -1.87 -0.63 0.00 1.00 0.00 0.00 64.86 63.35 2i8n h ILE 42 Cb 1.22 2.32 -0.21 0.00 -0.74 0.00 0.00 36.82 39.42 2i8n h ILE 42 CO 0.13 0.41 -0.63 -0.63 0.00 0.00 0.00 178.15 177.43 2i8n s ILE 43 N -2.20 4.22 0.04 -0.67 -1.09 0.21 -5.00 121.20 116.71 2i8n s ILE 43 Ca -0.13 -0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 57.92 2i8n s ILE 43 Cb -0.02 -2.90 -0.33 0.00 -1.58 0.00 0.00 42.46 37.63 2i8n s ILE 43 CO 0.49 0.44 1.05 0.07 -1.23 0.00 0.00 174.94 175.76 2i8n h LYS 44 N 7.15 0.52 -3.94 2.79 2.10 -1.80 -3.36 116.57 120.03 2i8n h LYS 44 Ca -0.35 -0.84 -0.67 0.00 -2.00 0.00 0.00 60.65 56.79 2i8n h LYS 44 Cb 1.18 0.30 -0.38 0.00 -0.90 0.00 0.00 32.23 32.43 2i8n h LYS 44 CO 0.64 1.39 -0.55 -1.01 -2.00 0.00 0.00 179.45 177.92 2i8n s HIS 45 N -2.71 3.45 -0.44 0.07 3.76 -1.26 -5.06 115.29 113.11 2i8n s HIS 45 Ca -0.08 -2.85 -0.27 0.00 -0.15 0.00 0.00 55.06 51.70 2i8n s HIS 45 Cb 0.05 -3.04 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 2i8n s HIS 45 CO 0.93 -0.86 1.94 -1.25 -0.85 0.00 0.00 174.74 174.66 2i8n s PRO 46 N 0.31 2.90 0.00 8.40 0.04 -1.26 -4.96 135.00 140.43 2i8n s PRO 46 Ca 0.14 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2i8n s PRO 46 Cb -0.22 -4.33 -0.00 0.00 0.04 0.00 0.00 34.50 29.98 2i8n s PRO 46 CO -0.03 -2.38 -0.01 -1.64 0.04 0.00 0.00 177.00 172.97 2i8n s MET 47 N 6.56 0.11 0.33 4.56 -1.94 -1.26 -5.11 119.30 122.56 2i8n s MET 47 Ca 0.80 -0.08 0.04 0.00 -1.71 0.00 0.00 55.69 54.74 2i8n s MET 47 Cb -0.19 -0.08 -0.06 0.00 2.01 0.00 0.00 34.83 36.51 2i8n s MET 47 CO 0.28 0.02 0.07 -0.51 -0.01 0.00 0.00 175.02 174.87 2i8n s ASP 48 N -0.12 2.35 0.46 3.03 1.11 -1.26 -4.91 116.67 117.33 2i8n s ASP 48 Ca -0.01 -1.40 0.13 0.00 0.18 0.00 0.00 52.55 51.45 2i8n s ASP 48 Cb -0.01 -0.02 1.08 0.00 1.07 0.00 0.00 42.92 45.04 2i8n s ASP 48 CO -0.00 -0.64 2.07 0.24 1.18 0.00 0.00 175.17 178.02 2i8n h MET 49 N 2.10 0.29 -0.68 8.23 2.86 -1.82 -1.97 114.93 123.93 2i8n h MET 49 Ca -0.40 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 2i8n h MET 49 Cb 1.25 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 2i8n h MET 49 CO 0.68 0.19 0.35 1.03 1.06 0.00 0.00 176.91 180.22 2i8n h SER 50 N 0.29 0.87 -0.72 1.22 0.87 -1.83 0.11 113.55 114.35 2i8n h SER 50 Ca 0.13 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2i8n h SER 50 Cb 0.17 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2i8n h SER 50 CO -0.03 0.74 0.19 0.74 -0.53 0.00 0.00 176.83 177.94 2i8n h THR 51 N 0.93 1.26 -0.18 2.23 2.02 -1.68 0.78 112.91 118.27 2i8n h THR 51 Ca 0.23 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 2i8n h THR 51 Cb 0.08 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2i8n h THR 51 CO -0.03 0.37 -0.24 0.40 0.37 0.00 0.00 175.52 176.39 2i8n h ILE 52 N 1.09 1.34 -0.65 3.11 2.04 -1.24 -3.03 117.51 120.17 2i8n h ILE 52 Ca 0.23 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 2i8n h ILE 52 Cb 0.36 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2i8n h ILE 52 CO -0.00 0.44 0.09 0.11 0.00 0.00 0.00 178.15 178.79 2i8n h LYS 53 N 0.14 1.08 -0.94 2.37 1.79 -0.69 -2.86 116.57 117.46 2i8n h LYS 53 Ca 0.02 -0.29 0.06 0.00 -2.18 0.00 0.00 60.65 58.26 2i8n h LYS 53 Cb 0.81 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 2i8n h LYS 53 CO 0.06 1.00 0.61 0.66 -1.08 0.00 0.00 179.45 180.70 2i8n h SER 54 N 1.01 0.96 -0.02 0.86 4.64 -0.85 0.14 113.55 120.29 2i8n h SER 54 Ca 0.20 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2i8n h SER 54 Cb 0.45 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2i8n h SER 54 CO 0.01 0.62 0.01 0.11 -0.87 0.00 0.00 176.83 176.71 2i8n h LYS 55 N 1.09 0.02 -0.33 4.77 6.56 -1.38 -1.29 116.57 126.01 2i8n h LYS 55 Ca 0.40 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.95 2i8n h LYS 55 Cb 0.18 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 2i8n h LYS 55 CO -0.15 0.07 0.04 1.25 -2.06 0.00 0.00 179.45 178.60 2i8n h LEU 56 N -0.03 0.46 -0.91 2.94 5.85 -1.31 0.31 115.31 122.62 2i8n h LEU 56 Ca 0.01 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 2i8n h LEU 56 Cb 0.06 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2i8n h LEU 56 CO -0.00 0.50 0.16 -0.33 -0.34 0.00 0.00 178.44 178.43 2i8n h GLU 57 N 0.48 0.97 -0.59 1.25 5.08 -0.21 -2.31 114.58 119.24 2i8n h GLU 57 Ca 0.11 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2i8n h GLU 57 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2i8n h GLU 57 CO 0.00 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 2i8n n ALA 58 N -2.46 2.85 -2.07 3.43 0.00 -0.53 -4.89 120.51 116.84 2i8n n ALA 58 Ca 0.05 -0.83 -0.17 0.00 0.00 0.00 0.00 53.44 52.49 2i8n n ALA 58 Cb 0.23 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 0.46 -1.30 0.11 0.00 3.00 -0.87 -4.89 116.66 113.16 2i8n n ARG 59 Ca 0.14 0.91 -0.17 0.00 -0.00 0.00 0.00 57.85 58.72 2i8n n ARG 59 Cb 0.54 -5.28 -0.13 0.00 0.00 0.00 0.00 32.46 27.58 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 0.33 -6.27 -0.14 5.08 -0.60 -3.42 114.58 109.57 2i8n h GLU 60 Ca -0.39 -0.54 -0.53 0.00 -1.00 0.00 0.00 59.36 56.91 2i8n h GLU 60 Cb 1.24 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.62 2i8n h GLU 60 CO 0.49 1.25 1.15 0.71 -1.00 0.00 0.00 179.01 181.60 2i8n s TYR 61 N -2.72 2.11 0.47 4.33 2.02 -1.22 -4.85 117.35 117.49 2i8n s TYR 61 Ca -0.05 0.31 0.15 0.00 -0.37 0.00 0.00 57.07 57.11 2i8n s TYR 61 Cb 0.07 -4.42 1.09 0.00 -0.40 0.00 0.00 41.96 38.30 2i8n s TYR 61 CO 0.89 -2.12 2.05 0.00 -1.57 0.00 0.00 175.55 174.80 2i8n h ARG 62 N 11.67 0.02 -3.34 -0.62 3.08 -1.96 -3.46 114.38 119.78 2i8n h ARG 62 Ca -0.27 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 2i8n h ARG 62 Cb 1.09 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.04 2i8n h ARG 62 CO 1.24 0.13 0.01 0.34 -1.07 0.00 0.00 179.97 180.61 2i8n s ASP 63 N -7.02 -0.24 0.31 7.04 -1.08 -1.26 -4.92 116.67 109.50 2i8n s ASP 63 Ca -0.04 -0.51 0.25 0.00 -0.52 0.00 0.00 52.55 51.73 2i8n s ASP 63 Cb 0.16 0.57 1.06 0.00 -1.46 0.00 0.00 42.92 43.26 2i8n s ASP 63 CO 0.69 -1.05 1.75 0.00 0.52 0.00 0.00 175.17 177.08 2i8n h ALA 64 N 2.21 1.00 -0.48 3.66 0.00 -1.88 -3.01 119.26 120.77 2i8n h ALA 64 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2i8n h ALA 64 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2i8n h ALA 64 CO 0.38 0.00 0.21 0.37 0.00 0.00 0.00 179.25 180.21 2i8n h GLN 65 N 0.00 0.70 -0.16 0.00 5.75 -1.96 -0.95 115.11 118.48 2i8n h GLN 65 Ca 0.00 -0.11 -0.15 0.00 -0.15 0.00 0.00 58.65 58.23 2i8n h GLN 65 Cb 0.35 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2i8n h GLN 65 CO 0.00 0.61 -0.54 0.93 -2.65 0.00 0.00 178.83 177.18 2i8n h GLU 66 N 0.63 0.48 -0.18 1.69 5.08 -1.96 -2.91 114.58 117.42 2i8n h GLU 66 Ca 0.16 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2i8n h GLU 66 Cb 0.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2i8n h GLU 66 CO -0.02 0.90 0.10 0.35 -1.00 0.00 0.00 179.01 179.34 2i8n h PHE 67 N 0.37 0.24 -0.20 4.33 3.04 -1.50 -2.60 116.94 120.62 2i8n h PHE 67 Ca 0.01 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 2i8n h PHE 67 Cb 1.06 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 2i8n h PHE 67 CO 0.04 0.22 0.05 0.78 -2.02 0.00 0.00 178.31 177.38 2i8n h GLY 68 N 0.19 0.29 1.00 2.40 0.00 -1.17 -2.41 103.07 103.38 2i8n h GLY 68 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2i8n h GLY 68 CO -0.01 0.13 0.35 0.00 0.00 0.00 0.00 176.54 177.01 2i8n h ALA 69 N 1.79 0.71 -0.30 3.60 0.00 -1.26 -1.71 119.26 122.09 2i8n h ALA 69 Ca 0.07 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2i8n h ALA 69 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2i8n h ALA 69 CO -0.00 0.17 -0.39 0.22 0.00 0.00 0.00 179.25 179.24 2i8n h ASP 70 N 0.75 0.76 -0.23 0.00 1.82 -1.35 -2.69 116.42 115.48 2i8n h ASP 70 Ca 0.20 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2i8n h ASP 70 Cb -0.05 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.74 2i8n h ASP 70 CO -0.04 1.06 0.15 0.58 -1.61 0.00 0.00 179.24 179.38 2i8n h VAL 71 N 0.59 1.05 -0.46 2.25 2.07 -1.10 0.34 116.25 120.99 2i8n h VAL 71 Ca 0.05 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2i8n h VAL 71 Cb 0.93 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2i8n h VAL 71 CO 0.08 0.06 0.13 0.03 0.02 0.00 0.00 177.57 177.89 2i8n h ARG 72 N 0.31 0.68 -0.16 1.57 3.08 -1.30 0.77 114.38 119.32 2i8n h ARG 72 Ca 0.09 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2i8n h ARG 72 Cb -0.03 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2i8n h ARG 72 CO -0.02 0.61 -0.45 1.25 -1.07 0.00 0.00 179.97 180.28 2i8n h LEU 73 N 0.67 0.68 -0.28 3.04 6.46 -1.08 -2.35 115.31 122.45 2i8n h LEU 73 Ca 0.15 -0.58 -0.05 0.00 -0.12 0.00 0.00 57.88 57.28 2i8n h LEU 73 Cb 0.22 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2i8n h LEU 73 CO -0.01 1.14 -0.04 -0.03 -0.62 0.00 0.00 178.44 178.89 2i8n h MET 74 N 0.25 0.52 -0.66 1.25 4.05 -0.07 -2.59 114.93 117.68 2i8n h MET 74 Ca -0.01 -0.18 -0.05 0.00 -0.28 0.00 0.00 59.70 59.18 2i8n h MET 74 Cb 1.07 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.80 2i8n h MET 74 CO 0.10 0.70 0.22 0.74 0.23 0.00 0.00 176.91 178.90 2i8n h PHE 75 N 0.29 1.04 -0.53 1.39 0.04 -0.92 0.40 116.94 118.66 2i8n h PHE 75 Ca 0.08 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2i8n h PHE 75 Cb 0.49 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2i8n h PHE 75 CO 0.04 0.84 0.28 0.66 -0.60 0.00 0.00 178.31 179.53 2i8n h SER 76 N 0.95 0.67 -0.10 2.17 4.64 -1.40 0.73 113.55 121.22 2i8n h SER 76 Ca 0.21 -0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 61.20 2i8n h SER 76 Cb 0.27 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2i8n h SER 76 CO -0.01 0.59 -0.81 0.78 -0.87 0.00 0.00 176.83 176.51 2i8n h ASN 77 N 0.71 0.91 -0.73 4.97 4.21 -1.31 -3.20 115.58 121.14 2i8n h ASN 77 Ca 0.18 -0.61 -0.01 0.00 1.21 0.00 0.00 56.30 57.07 2i8n h ASN 77 Cb 0.08 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 36.97 2i8n h ASN 77 CO -0.03 1.41 0.44 0.00 -1.29 0.00 0.00 177.43 177.96 2i8n h TYR 79 N 1.03 0.68 -0.58 0.00 3.20 -0.85 -1.21 116.97 119.24 2i8n h TYR 79 Ca 0.27 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2i8n h TYR 79 Cb -0.02 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 2i8n h TYR 79 CO 0.00 0.42 0.23 -0.22 -1.64 0.00 0.00 178.16 176.96 2i8n h LYS 80 N 0.73 0.87 -0.18 1.82 3.64 -1.41 -2.81 116.57 119.23 2i8n h LYS 80 Ca 0.20 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2i8n h LYS 80 Cb -0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2i8n h LYS 80 CO -0.05 0.75 -0.47 -0.92 -2.27 0.00 0.00 179.45 176.49 2i8n h TYR 81 N 0.80 0.57 -1.96 1.91 5.03 -1.32 -3.43 116.97 118.57 2i8n h TYR 81 Ca 0.19 -0.18 -0.59 0.00 2.58 0.00 0.00 58.73 60.73 2i8n h TYR 81 Cb 0.20 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2i8n h TYR 81 CO 0.01 0.85 1.47 0.09 -1.32 0.00 0.00 178.16 179.26 2i8n n ASN 82 N -3.99 3.27 -4.67 -2.11 3.02 -0.52 -4.95 115.26 105.32 2i8n n ASN 82 Ca -0.02 0.27 -0.31 0.00 -0.03 0.00 0.00 54.58 54.49 2i8n n ASN 82 Cb 0.55 -1.54 0.17 0.00 -0.61 0.00 0.00 39.78 38.35 2i8n n ASN 82 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2i8n s PRO 83 N 6.20 0.95 -0.06 3.52 0.02 -1.26 -4.92 135.00 139.45 2i8n s PRO 83 Ca 1.00 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 2i8n s PRO 83 Cb -0.37 -1.72 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 2i8n s PRO 83 CO 0.37 -2.67 1.57 -1.25 -0.33 0.00 0.00 177.00 174.69 2i8n s PRO 84 N -4.65 4.20 -0.61 5.54 0.04 -1.26 -3.75 135.00 134.51 2i8n s PRO 84 Ca 0.67 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.78 2i8n s PRO 84 Cb -0.23 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2i8n s PRO 84 CO 0.58 -0.80 0.60 -3.47 0.04 0.00 0.00 177.00 173.96 2i8n n ASP 85 N 6.82 -7.10 -4.06 6.66 -0.08 -1.26 -5.06 116.55 112.47 2i8n n ASP 85 Ca 0.16 0.01 -0.11 0.00 -1.51 0.00 0.00 54.79 53.35 2i8n n ASP 85 Cb 0.43 -4.79 -0.11 0.00 2.34 0.00 0.00 41.12 38.99 2i8n n ASP 85 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2i8n s HIS 86 N -2.92 0.58 0.21 -0.67 2.46 -1.25 -5.05 115.29 108.65 2i8n s HIS 86 Ca 0.03 -0.64 -0.09 0.00 0.47 0.00 0.00 55.06 54.83 2i8n s HIS 86 Cb -0.01 -0.36 0.25 0.00 -0.13 0.00 0.00 32.58 32.33 2i8n s HIS 86 CO 0.66 -0.16 1.80 0.93 -2.47 0.00 0.00 174.74 175.50 2i8n h GLU 87 N 4.15 0.62 -0.23 2.88 5.08 -1.97 -1.23 114.58 123.88 2i8n h GLU 87 Ca -0.34 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2i8n h GLU 87 Cb 1.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2i8n h GLU 87 CO 0.47 0.41 0.14 -0.39 -1.00 0.00 0.00 179.01 178.64 2i8n h VAL 88 N 0.64 1.07 -0.42 3.13 -1.51 -1.97 -2.20 116.25 114.99 2i8n h VAL 88 Ca 0.30 -0.16 -0.07 0.00 -1.23 0.00 0.00 66.70 65.55 2i8n h VAL 88 Cb 0.22 0.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 2i8n h VAL 88 CO -0.20 0.07 0.01 0.58 -1.23 0.00 0.00 177.57 176.80 2i8n h VAL 89 N 0.32 1.26 -0.69 7.19 2.07 -1.54 -2.70 116.25 122.15 2i8n h VAL 89 Ca 0.08 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2i8n h VAL 89 Cb -0.01 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2i8n h VAL 89 CO -0.02 0.34 0.33 0.00 0.02 0.00 0.00 177.57 178.25 2i8n h ALA 90 N 0.90 1.28 -0.34 1.67 0.00 -1.07 -1.97 119.26 119.73 2i8n h ALA 90 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i8n h ALA 90 Cb 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2i8n h ALA 90 CO 0.02 0.55 0.20 0.52 0.00 0.00 0.00 179.25 180.54 2i8n h MET 91 N 0.97 0.47 -0.84 0.00 2.86 -1.28 0.25 114.93 117.36 2i8n h MET 91 Ca 0.24 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2i8n h MET 91 Cb 0.10 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2i8n h MET 91 CO -0.03 0.37 0.41 0.00 1.06 0.00 0.00 176.91 178.72 2i8n h ALA 92 N 1.07 1.13 -0.08 6.32 0.00 -1.16 0.52 119.26 127.05 2i8n h ALA 92 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2i8n h ALA 92 Cb 0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2i8n h ALA 92 CO -0.02 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.90 2i8n h ARG 93 N 1.20 0.13 -0.72 0.00 -0.00 -1.02 0.54 114.38 114.51 2i8n h ARG 93 Ca 0.29 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.70 2i8n h ARG 93 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.04 2i8n h ARG 93 CO -0.04 0.37 0.34 -0.22 0.00 0.00 0.00 179.97 180.43 2i8n h LYS 94 N -0.12 1.05 -0.47 0.04 3.64 -0.77 0.17 116.57 120.10 2i8n h LYS 94 Ca 0.02 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 2i8n h LYS 94 Cb 0.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2i8n h LYS 94 CO 0.00 0.83 -0.16 1.25 -2.27 0.00 0.00 179.45 179.10 2i8n h LEU 95 N 1.02 0.96 -0.23 5.20 6.46 -0.83 -1.98 115.31 125.91 2i8n h LEU 95 Ca 0.25 -0.38 -0.10 0.00 -0.12 0.00 0.00 57.88 57.52 2i8n h LEU 95 Cb 0.13 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2i8n h LEU 95 CO -0.03 1.12 -0.26 -0.61 -0.62 0.00 0.00 178.44 178.04 2i8n h GLN 96 N 0.80 0.59 -0.31 1.25 -0.00 -0.66 -1.48 115.11 115.30 2i8n h GLN 96 Ca 0.11 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2i8n h GLN 96 Cb 0.73 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.21 2i8n h GLN 96 CO 0.06 0.92 0.19 0.22 0.00 0.00 0.00 178.83 180.22 2i8n h ASP 97 N 0.29 0.37 -0.42 -0.69 3.58 -0.64 0.25 116.42 119.16 2i8n h ASP 97 Ca 0.03 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2i8n h ASP 97 Cb 0.82 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2i8n h ASP 97 CO 0.06 0.31 -0.06 1.62 -2.88 0.00 0.00 179.24 178.29 2i8n h VAL 98 N 0.40 1.27 -0.02 2.25 3.04 -1.40 -1.32 116.25 120.48 2i8n h VAL 98 Ca 0.11 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.67 2i8n h VAL 98 Cb 0.00 1.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2i8n h VAL 98 CO -0.02 0.38 0.01 -0.26 -1.01 0.00 0.00 177.57 176.67 2i8n h PHE 99 N 0.61 0.03 -0.42 3.17 -1.00 -1.07 -0.75 116.94 117.51 2i8n h PHE 99 Ca 0.11 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.91 2i8n h PHE 99 Cb 0.57 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 2i8n h PHE 99 CO 0.05 0.21 0.25 1.49 -1.61 0.00 0.00 178.31 178.69 2i8n h GLU 100 N -0.16 0.48 -0.40 1.51 4.22 -0.49 0.42 114.58 120.17 2i8n h GLU 100 Ca 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2i8n h GLU 100 Cb 0.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2i8n h GLU 100 CO -0.00 0.32 0.25 0.52 -2.18 0.00 0.00 179.01 177.92 2i8n h MET 101 N 0.50 0.53 -0.31 1.92 2.86 -1.17 -0.11 114.93 119.15 2i8n h MET 101 Ca 0.17 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 2i8n h MET 101 Cb 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2i8n h MET 101 CO -0.08 0.37 -0.12 -0.09 1.06 0.00 0.00 176.91 178.05 2i8n h ARG 102 N 0.53 0.63 -0.22 1.72 9.65 -0.80 -2.01 114.38 123.88 2i8n h ARG 102 Ca 0.14 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2i8n h ARG 102 Cb -0.04 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 2i8n h ARG 102 CO -0.03 0.84 0.14 0.35 2.80 0.00 0.00 179.97 184.07 2i8n h PHE 103 N 0.39 0.27 -0.31 2.20 3.57 0.02 0.59 116.94 123.67 2i8n h PHE 103 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2i8n h PHE 103 Cb 0.63 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2i8n h PHE 103 CO 0.06 0.17 -0.02 0.00 -2.23 0.00 0.00 178.31 176.29 2i8n h ALA 104 N 1.08 1.40 -0.14 2.41 0.00 -1.02 -0.69 119.26 122.31 2i8n h ALA 104 Ca 0.08 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2i8n h ALA 104 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2i8n h ALA 104 CO -0.02 0.42 -0.34 -0.22 0.00 0.00 0.00 179.25 179.09 2i8n h LYS 105 N 0.46 0.47 -0.15 0.00 3.64 -0.87 0.45 116.57 120.58 2i8n h LYS 105 Ca 0.10 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 59.04 2i8n h LYS 105 Cb 0.33 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2i8n h LYS 105 CO 0.01 0.93 -0.42 0.00 -2.27 0.00 0.00 179.45 177.71 2i8n h MET 106 N 0.08 0.34 0.15 1.90 -0.00 -0.73 -3.24 114.93 113.42 2i8n h MET 106 Ca -0.00 -0.17 -0.30 0.00 -0.00 0.00 0.00 59.70 59.23 2i8n h MET 106 Cb 0.94 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.55 2i8n h MET 106 CO 0.07 0.70 -1.48 1.25 -0.00 0.00 0.00 176.91 177.45 2i8n h LEU 107 N 0.28 0.49 -1.33 -0.10 6.46 -1.16 -3.51 115.31 116.44 2i8n h LEU 107 Ca 0.02 -0.90 0.00 0.00 -0.12 0.00 0.00 57.88 56.89 2i8n h LEU 107 Cb 0.85 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2i8n h LEU 107 CO 0.07 1.66 0.00 1.67 -0.62 0.00 0.00 178.44 181.22