#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 0.84 -0.66 5.31 4.20 -1.99 -0.61 115.11 122.20 2i8n h GLN 2 Ca 0.00 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2i8n h GLN 2 Cb 0.00 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2i8n h GLN 2 CO 0.00 0.63 0.12 -0.07 -0.67 0.00 0.00 178.83 178.84 2i8n h LEU 3 N 0.82 1.03 -1.04 1.46 3.38 -1.95 -2.52 115.31 116.49 2i8n h LEU 3 Ca 0.21 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2i8n h LEU 3 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2i8n h LEU 3 CO -0.04 1.02 -0.16 0.50 0.09 0.00 0.00 178.44 179.85 2i8n h LYS 4 N 1.00 0.50 -0.48 1.13 3.64 -1.93 -2.77 116.57 117.66 2i8n h LYS 4 Ca 0.20 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2i8n h LYS 4 Cb 0.41 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2i8n h LYS 4 CO 0.01 0.65 -0.10 0.00 -2.27 0.00 0.00 179.45 177.74 2i8n h SER 7 N 0.81 0.98 -0.34 0.00 4.64 -1.31 0.47 113.55 118.81 2i8n h SER 7 Ca 0.17 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 2i8n h SER 7 Cb 0.38 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2i8n h SER 7 CO 0.01 0.67 0.14 1.23 -0.87 0.00 0.00 176.83 178.01 2i8n h GLY 8 N 1.14 0.54 0.91 -0.77 0.00 -1.48 0.23 103.07 103.64 2i8n h GLY 8 Ca 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2i8n h GLY 8 CO -0.13 0.27 0.09 -2.22 0.00 0.00 0.00 176.54 174.56 2i8n h ILE 9 N 0.40 1.21 -0.44 2.60 2.04 -1.37 -2.71 117.51 119.24 2i8n h ILE 9 Ca 0.11 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2i8n h ILE 9 Cb 0.17 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2i8n h ILE 9 CO -0.01 0.24 0.10 -0.07 0.00 0.00 0.00 178.15 178.40 2i8n h LEU 10 N 0.37 0.61 -2.15 1.44 3.38 -0.78 -2.26 115.31 115.92 2i8n h LEU 10 Ca 0.10 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2i8n h LEU 10 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2i8n h LEU 10 CO -0.00 0.62 0.12 0.50 0.09 0.00 0.00 178.44 179.77 2i8n h LYS 11 N 0.64 0.00 -0.70 1.13 3.64 -0.21 -1.43 116.57 119.64 2i8n h LYS 11 Ca 0.15 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2i8n h LYS 11 Cb 0.26 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2i8n h LYS 11 CO -0.00 0.00 0.46 1.49 -2.27 0.00 0.00 179.45 179.13 2i8n h GLU 12 N 0.00 0.77 -0.82 1.90 4.81 -1.32 0.53 114.58 120.45 2i8n h GLU 12 Ca 0.07 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2i8n h GLU 12 Cb 0.32 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 2i8n h GLU 12 CO -0.00 0.51 0.54 0.52 -0.73 0.00 0.00 179.01 179.85 2i8n h MET 13 N 0.79 0.88 -0.44 1.92 2.86 -1.41 -1.71 114.93 117.82 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 0.15 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2i8n h MET 13 CO -0.09 0.58 0.00 0.34 1.06 0.00 0.00 176.91 178.80 2i8n n PHE 14 N -4.48 0.66 0.55 -0.22 -0.00 -0.48 -1.21 117.46 112.28 2i8n n PHE 14 Ca 0.12 -0.53 0.07 0.00 -0.00 0.00 0.00 57.45 57.11 2i8n n PHE 14 Cb 0.21 -0.05 0.19 0.00 -0.00 0.00 0.00 39.48 39.84 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 0.74 2.54 -1.80 3.13 0.00 0.17 -4.89 120.51 120.41 2i8n n ALA 15 Ca 0.16 -0.79 -0.05 0.00 0.00 0.00 0.00 53.44 52.75 2i8n n ALA 15 Cb 0.52 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 2i8n n ALA 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i8n n LYS 16 N 0.71 -0.39 0.00 0.00 4.81 -1.25 -4.91 118.16 117.13 2i8n n LYS 16 Ca 0.15 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2i8n n LYS 16 Cb 0.41 -4.14 0.00 0.00 0.02 0.00 0.00 35.03 31.32 2i8n n LYS 16 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2i8n n LYS 17 N -1.91 1.89 -0.58 1.64 5.02 -1.21 -4.82 118.16 118.19 2i8n n LYS 17 Ca -0.06 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.27 2i8n n LYS 17 Cb 0.43 -0.96 0.06 0.00 -0.02 0.00 0.00 35.03 34.54 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 0.00 0.00 2.13 -0.00 -0.99 -4.82 115.22 109.39 2i8n n HIS 18 Ca 0.00 -0.50 -0.09 0.00 0.46 0.00 0.00 57.72 57.59 2i8n n HIS 18 Cb 0.46 -0.11 0.06 0.00 -0.12 0.00 0.00 29.99 30.28 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 0.28 0.72 -0.10 1.57 0.00 -1.35 -0.51 119.26 119.86 2i8n h ALA 19 Ca -0.04 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 2i8n h ALA 19 Cb 1.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2i8n h ALA 19 CO 0.02 0.68 -0.73 0.00 0.00 0.00 0.00 179.25 179.22 2i8n h ALA 20 N 0.99 0.52 -0.00 0.00 0.00 -1.87 0.51 119.26 119.40 2i8n h ALA 20 Ca 0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 54.91 54.10 2i8n h ALA 20 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2i8n h ALA 20 CO 0.10 0.74 -0.93 1.88 0.00 0.00 0.00 179.25 181.04 2i8n h TYR 21 N 0.36 0.57 -0.49 0.00 -1.99 -1.89 -3.26 116.97 110.26 2i8n h TYR 21 Ca -0.03 -0.31 -0.12 0.00 2.00 0.00 0.00 58.73 60.27 2i8n h TYR 21 Cb 1.32 -0.06 -0.07 0.00 2.00 0.00 0.00 36.73 39.91 2i8n h TYR 21 CO 0.06 1.12 0.10 0.00 -0.00 0.00 0.00 178.16 179.44 2i8n n ALA 22 N -2.53 3.93 0.07 3.88 0.00 -0.21 -4.65 120.51 121.00 2i8n n ALA 22 Ca -0.06 -2.47 -0.11 0.00 0.00 0.00 0.00 53.44 50.80 2i8n n ALA 22 Cb 0.83 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 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 2.11 -0.22 -0.20 0.00 7.01 -0.93 -3.28 115.95 120.44 2i8n h TRP 23 Ca 0.15 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.14 2i8n h TRP 23 Cb 1.88 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 29.01 2i8n h TRP 23 CO 0.95 0.20 0.00 -0.35 -2.79 0.00 0.00 178.44 176.44 2i8n n PRO 24 N -4.95 1.65 -2.88 2.65 -0.04 -1.26 -4.13 135.00 126.04 2i8n n PRO 24 Ca -0.08 -0.79 -0.20 0.00 -0.04 0.00 0.00 63.50 62.39 2i8n n PRO 24 Cb 0.26 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.13 2.10 0.00 0.54 3.01 -1.24 -4.82 117.46 117.18 2i8n n PHE 25 Ca 0.07 -3.53 0.00 0.00 1.01 0.00 0.00 57.45 55.00 2i8n n PHE 25 Cb 0.27 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 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 -0.08 0.00 -1.57 1.38 9.36 -1.26 -4.64 117.16 120.35 2i8n n TYR 26 Ca 0.26 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 61.14 2i8n n TYR 26 Cb 0.61 0.25 0.08 0.00 -0.63 0.00 0.00 39.34 39.65 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 -1.93 2.39 1.04 2.98 1.02 -1.26 -1.03 119.74 122.94 2i8n s LYS 27 Ca 0.00 1.66 -0.17 0.00 0.02 0.00 0.00 55.97 57.47 2i8n s LYS 27 Cb 0.00 -1.87 0.24 0.00 -0.52 0.00 0.00 37.83 35.67 2i8n s LYS 27 CO 0.00 -1.62 1.29 -1.25 -0.92 0.00 0.00 175.35 172.85 2i8n s PRO 28 N -3.92 0.02 -1.22 -1.68 0.04 -1.26 -4.58 135.00 122.40 2i8n s PRO 28 Ca 0.72 -0.41 -0.07 0.00 0.04 0.00 0.00 61.00 61.28 2i8n s PRO 28 Cb -0.27 -1.77 0.21 0.00 0.04 0.00 0.00 34.50 32.70 2i8n s PRO 28 CO 0.43 -2.83 1.82 1.33 0.04 0.00 0.00 177.00 177.79 2i8n n VAL 29 N -4.06 4.74 -1.55 -0.36 0.24 -1.26 -4.97 118.33 111.11 2i8n n VAL 29 Ca 0.16 -4.84 -0.34 0.00 -2.04 0.00 0.00 64.34 57.28 2i8n n VAL 29 Cb 0.59 -2.23 -0.04 0.00 -1.47 0.00 0.00 33.84 30.69 2i8n n VAL 29 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2i8n n ASP 30 N 2.89 2.21 -0.16 -1.34 8.00 -1.26 -4.81 116.55 122.07 2i8n n ASP 30 Ca 0.38 -0.60 -0.01 0.00 0.71 0.00 0.00 54.79 55.27 2i8n n ASP 30 Cb 0.34 -1.58 0.22 0.00 -0.02 0.00 0.00 41.12 40.08 2i8n n ASP 30 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2i8n h VAL 31 N 7.71 1.21 -0.10 2.53 3.04 -1.93 0.37 116.25 129.08 2i8n h VAL 31 Ca -0.21 -0.61 -0.08 0.00 -1.01 0.00 0.00 66.70 64.79 2i8n h VAL 31 Cb 1.24 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2i8n h VAL 31 CO 1.15 0.25 -0.27 -0.33 -1.01 0.00 0.00 177.57 177.36 2i8n h GLU 32 N 0.88 0.36 -0.05 4.17 5.08 -1.95 0.31 114.58 123.38 2i8n h GLU 32 Ca 0.22 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2i8n h GLU 32 Cb 0.12 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2i8n h GLU 32 CO -0.03 0.86 -0.16 0.00 -1.00 0.00 0.00 179.01 178.69 2i8n h ALA 33 N 0.49 0.08 0.00 3.43 0.00 -1.93 -3.29 119.26 118.05 2i8n h ALA 33 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2i8n h ALA 33 Cb 0.88 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2i8n h ALA 33 CO 0.06 0.01 -0.25 -0.07 0.00 0.00 0.00 179.25 179.01 2i8n h LEU 34 N -0.35 0.00 -1.80 0.00 3.38 -0.39 -3.48 115.31 112.67 2i8n h LEU 34 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2i8n h LEU 34 Cb 0.79 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.65 2i8n h LEU 34 CO 0.03 0.16 -0.52 0.61 0.09 0.00 0.00 178.44 178.81 2i8n n GLY 35 N 1.15 -0.11 2.73 0.83 0.00 0.11 -4.99 105.19 104.92 2i8n n GLY 35 Ca 0.03 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.07 4.03 0.27 0.99 -0.00 -1.02 -4.86 117.00 113.32 2i8n n LEU 36 Ca -0.19 -5.57 0.18 0.00 -0.00 0.00 0.00 56.01 50.44 2i8n n LEU 36 Cb 0.61 -0.51 0.92 0.00 -0.00 0.00 0.00 43.42 44.45 2i8n n LEU 36 CO 0.41 2.26 1.04 1.12 -0.00 0.00 0.00 177.39 182.22 2i8n h HIS 37 N 3.36 0.00 0.00 1.47 2.07 -1.94 -1.23 115.15 118.88 2i8n h HIS 37 Ca 0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 2i8n h HIS 37 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 2i8n h HIS 37 CO 0.78 0.00 0.00 0.38 -3.07 0.00 0.00 177.93 176.02 2i8n h ASP 38 N 0.00 0.00 -0.96 3.10 2.03 -1.98 -3.24 116.42 115.37 2i8n h ASP 38 Ca 0.00 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 56.42 2i8n h ASP 38 Cb 0.10 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.52 2i8n h ASP 38 CO 0.00 0.00 0.61 0.22 -1.03 0.00 0.00 179.24 179.04 2i8n h TYR 39 N 0.00 1.05 -0.66 4.15 5.03 -1.60 -0.57 116.97 124.38 2i8n h TYR 39 Ca 0.00 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 2i8n h TYR 39 Cb 0.79 -0.33 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 2i8n h TYR 39 CO 0.00 0.43 0.12 0.00 -1.32 0.00 0.00 178.16 177.39 2i8n h ASP 41 N 1.00 0.74 -0.16 0.00 3.32 -1.35 -3.14 116.42 116.84 2i8n h ASP 41 Ca 0.20 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 2i8n h ASP 41 Cb 0.42 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2i8n h ASP 41 CO 0.01 0.83 -0.20 0.40 -1.72 0.00 0.00 179.24 178.55 2i8n h ILE 42 N 0.63 1.35 -3.49 0.35 2.04 -1.01 -3.42 117.51 113.95 2i8n h ILE 42 Ca 0.14 -1.40 -0.59 0.00 1.00 0.00 0.00 64.86 64.01 2i8n h ILE 42 Cb 0.41 1.88 -0.38 0.00 -0.74 0.00 0.00 36.82 37.99 2i8n h ILE 42 CO 0.01 0.42 -0.79 -0.63 0.00 0.00 0.00 178.15 177.16 2i8n s ILE 43 N -4.22 1.32 0.27 -0.67 1.01 0.75 -5.00 121.20 114.66 2i8n s ILE 43 Ca -0.14 -0.98 0.11 0.00 0.00 0.00 0.00 60.65 59.64 2i8n s ILE 43 Cb 0.06 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 2i8n s ILE 43 CO 0.77 -0.03 1.62 0.07 0.00 0.00 0.00 174.94 177.37 2i8n h LYS 44 N 8.03 0.00 -2.25 2.79 2.10 -1.79 -3.34 116.57 122.10 2i8n h LYS 44 Ca -0.20 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.84 2i8n h LYS 44 Cb 1.09 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.01 2i8n h LYS 44 CO 0.41 0.60 -0.51 1.58 -2.00 0.00 0.00 179.45 179.53 2i8n n HIS 45 N -3.80 3.70 -1.97 0.07 -0.00 -1.26 -5.06 115.22 106.90 2i8n n HIS 45 Ca -0.01 -4.01 -0.32 0.00 0.46 0.00 0.00 57.72 53.84 2i8n n HIS 45 Cb 0.61 -0.58 0.01 0.00 -0.12 0.00 0.00 29.99 29.91 2i8n n HIS 45 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2i8n s PRO 46 N -2.82 3.34 0.16 1.57 0.04 -1.25 -4.91 135.00 131.12 2i8n s PRO 46 Ca 0.42 1.06 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 2i8n s PRO 46 Cb 0.18 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.74 2i8n s PRO 46 CO -0.04 -0.78 0.57 1.41 0.04 0.00 0.00 177.00 178.20 2i8n s MET 47 N -4.41 1.26 0.18 4.56 1.75 -1.26 -5.07 119.30 116.32 2i8n s MET 47 Ca 0.61 -0.53 -0.10 0.00 -1.25 0.00 0.00 55.69 54.42 2i8n s MET 47 Cb -0.14 0.57 -0.01 0.00 2.84 0.00 0.00 34.83 38.09 2i8n s MET 47 CO 0.42 -0.54 0.32 0.34 -0.65 0.00 0.00 175.02 174.90 2i8n s ASP 48 N -2.77 0.01 0.34 1.11 -1.08 -1.26 -4.89 116.67 108.14 2i8n s ASP 48 Ca 0.02 -0.88 0.05 0.00 -0.52 0.00 0.00 52.55 51.22 2i8n s ASP 48 Cb -0.01 0.46 0.69 0.00 -1.46 0.00 0.00 42.92 42.61 2i8n s ASP 48 CO -0.12 -0.93 1.92 0.24 0.52 0.00 0.00 175.17 176.79 2i8n h MET 49 N 2.49 0.80 -0.56 4.34 2.86 -1.82 -0.67 114.93 122.36 2i8n h MET 49 Ca -0.31 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.20 2i8n h MET 49 Cb 1.23 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 2i8n h MET 49 CO 0.46 0.53 0.05 1.03 1.06 0.00 0.00 176.91 180.04 2i8n h SER 50 N 0.83 0.93 -0.62 1.22 0.87 -1.33 -0.85 113.55 114.60 2i8n h SER 50 Ca 0.38 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 2i8n h SER 50 Cb 0.37 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2i8n h SER 50 CO -0.15 0.98 0.11 0.74 -0.53 0.00 0.00 176.83 177.99 2i8n h THR 51 N 0.85 1.26 -0.27 2.23 2.02 -1.51 -1.37 112.91 116.11 2i8n h THR 51 Ca 0.17 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 2i8n h THR 51 Cb 0.47 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2i8n h THR 51 CO 0.02 0.37 -0.08 0.40 0.37 0.00 0.00 175.52 176.60 2i8n h ILE 52 N 0.93 1.28 -0.41 3.11 2.04 -1.02 -3.01 117.51 120.42 2i8n h ILE 52 Ca 0.19 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2i8n h ILE 52 Cb 0.41 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2i8n h ILE 52 CO 0.01 0.35 0.13 0.11 0.00 0.00 0.00 178.15 178.75 2i8n h LYS 53 N 0.28 0.60 -0.81 2.37 1.79 -1.07 -2.60 116.57 117.13 2i8n h LYS 53 Ca 0.07 -0.09 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2i8n h LYS 53 Cb 0.56 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.04 2i8n h LYS 53 CO 0.03 0.52 0.50 1.03 -1.08 0.00 0.00 179.45 180.45 2i8n h SER 54 N 0.59 0.80 -0.19 0.86 0.87 -1.11 0.22 113.55 115.58 2i8n h SER 54 Ca 0.14 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2i8n h SER 54 Cb 0.17 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2i8n h SER 54 CO -0.01 0.52 0.12 0.50 -0.53 0.00 0.00 176.83 177.43 2i8n h LYS 55 N 0.93 0.26 -0.26 2.24 3.64 -1.41 -2.05 116.57 119.91 2i8n h LYS 55 Ca 0.35 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2i8n h LYS 55 Cb 0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2i8n h LYS 55 CO -0.16 0.21 -0.09 1.25 -2.27 0.00 0.00 179.45 178.39 2i8n h LEU 56 N 0.23 0.40 -0.74 5.20 5.85 -1.34 0.16 115.31 125.08 2i8n h LEU 56 Ca 0.07 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2i8n h LEU 56 Cb 0.02 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2i8n h LEU 56 CO -0.01 0.53 0.37 -0.33 -0.34 0.00 0.00 178.44 178.66 2i8n h GLU 57 N 0.40 1.06 -0.59 1.25 5.08 -0.06 -2.25 114.58 119.47 2i8n h GLU 57 Ca 0.08 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2i8n h GLU 57 Cb 0.41 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2i8n h GLU 57 CO 0.02 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 2i8n n ALA 58 N -2.38 2.84 -2.19 3.43 0.00 -0.82 -4.89 120.51 116.50 2i8n n ALA 58 Ca 0.06 -0.80 -0.20 0.00 0.00 0.00 0.00 53.44 52.50 2i8n n ALA 58 Cb 0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 0.44 -1.66 0.09 0.00 3.00 -0.85 -4.87 116.66 112.81 2i8n n ARG 59 Ca 0.13 1.03 -0.08 0.00 -0.01 0.00 0.00 57.85 58.92 2i8n n ARG 59 Cb 0.53 -5.62 -0.01 0.00 0.00 0.00 0.00 32.46 27.36 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 0.15 -6.03 5.56 5.08 -0.91 -3.42 114.58 115.01 2i8n h GLU 60 Ca -0.46 -0.17 -0.51 0.00 -1.00 0.00 0.00 59.36 57.22 2i8n h GLU 60 Cb 1.34 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 2i8n h GLU 60 CO 0.57 0.94 1.32 0.71 -1.00 0.00 0.00 179.01 181.55 2i8n s TYR 61 N -3.15 1.74 0.41 4.33 2.02 -1.21 -4.83 117.35 116.65 2i8n s TYR 61 Ca -0.02 0.69 0.11 0.00 -0.37 0.00 0.00 57.07 57.47 2i8n s TYR 61 Cb 0.10 -4.16 0.88 0.00 -0.40 0.00 0.00 41.96 38.39 2i8n s TYR 61 CO 0.82 -2.29 1.97 -0.09 -1.57 0.00 0.00 175.55 174.39 2i8n h ARG 62 N 14.33 0.18 -2.80 -0.62 2.43 -1.96 -3.47 114.38 122.48 2i8n h ARG 62 Ca -0.26 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 2i8n h ARG 62 Cb 1.15 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2i8n h ARG 62 CO 1.22 0.30 0.35 0.16 -1.51 0.00 0.00 179.97 180.49 2i8n s ASP 63 N -6.91 -0.11 0.25 -3.80 -4.77 -1.26 -4.99 116.67 95.08 2i8n s ASP 63 Ca -0.05 -0.77 0.23 0.00 -3.30 0.00 0.00 52.55 48.66 2i8n s ASP 63 Cb 0.16 0.69 0.98 0.00 -1.09 0.00 0.00 42.92 43.65 2i8n s ASP 63 CO 0.72 -1.33 1.70 0.00 0.70 0.00 0.00 175.17 176.97 2i8n n ALA 64 N -0.53 1.65 -0.09 2.11 0.00 -1.26 -3.05 120.51 119.35 2i8n n ALA 64 Ca -0.06 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 2i8n n ALA 64 Cb 0.60 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2i8n n ALA 64 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2i8n h GLN 65 N 0.00 0.42 -0.18 0.00 5.75 -2.00 -0.70 115.11 118.40 2i8n h GLN 65 Ca 0.00 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 2i8n h GLN 65 Cb 0.36 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2i8n h GLN 65 CO 0.00 0.41 -0.51 1.49 -2.65 0.00 0.00 178.83 177.57 2i8n h GLU 66 N 0.33 0.50 0.19 1.69 4.81 -1.97 -3.05 114.58 117.08 2i8n h GLU 66 Ca 0.10 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 2i8n h GLU 66 Cb 0.13 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2i8n h GLU 66 CO -0.01 0.89 -0.09 0.35 -0.73 0.00 0.00 179.01 179.42 2i8n h PHE 67 N 0.39 -0.24 -0.58 0.92 3.04 -1.52 -2.72 116.94 116.24 2i8n h PHE 67 Ca 0.02 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.06 2i8n h PHE 67 Cb 1.02 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.58 2i8n h PHE 67 CO 0.04 -0.07 0.39 0.78 -2.02 0.00 0.00 178.31 177.42 2i8n h GLY 68 N -0.35 0.53 0.96 2.40 0.00 -1.16 -1.83 103.07 103.62 2i8n h GLY 68 Ca -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2i8n h GLY 68 CO 0.04 0.09 0.20 0.00 0.00 0.00 0.00 176.54 176.88 2i8n h ALA 69 N 1.71 0.59 -0.52 3.60 0.00 -1.37 -2.43 119.26 120.84 2i8n h ALA 69 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2i8n h ALA 69 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2i8n h ALA 69 CO -0.07 0.18 0.13 -0.44 0.00 0.00 0.00 179.25 179.05 2i8n h ASP 70 N 0.60 0.74 -0.13 0.00 5.19 -1.12 -0.87 116.42 120.83 2i8n h ASP 70 Ca 0.16 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2i8n h ASP 70 Cb 0.15 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2i8n h ASP 70 CO -0.02 0.72 0.05 0.58 -3.12 0.00 0.00 179.24 177.46 2i8n h VAL 71 N 0.77 1.15 -0.68 -1.35 2.07 -1.21 0.15 116.25 117.14 2i8n h VAL 71 Ca 0.17 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2i8n h VAL 71 Cb 0.28 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2i8n h VAL 71 CO -0.00 0.13 0.13 0.03 0.02 0.00 0.00 177.57 177.88 2i8n h ARG 72 N 0.06 1.12 -0.57 1.57 2.47 -1.27 -1.62 114.38 116.14 2i8n h ARG 72 Ca 0.04 -0.29 -0.06 0.00 -1.26 0.00 0.00 59.98 58.41 2i8n h ARG 72 Cb 0.16 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2i8n h ARG 72 CO -0.00 1.01 0.12 1.25 0.56 0.00 0.00 179.97 182.90 2i8n h LEU 73 N 1.05 0.88 -0.28 3.04 5.85 -0.98 -2.10 115.31 122.77 2i8n h LEU 73 Ca 0.21 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2i8n h LEU 73 Cb 0.42 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2i8n h LEU 73 CO 0.01 0.90 0.13 -0.03 -0.34 0.00 0.00 178.44 179.11 2i8n h MET 74 N 0.83 0.41 -0.67 1.25 4.05 -0.50 -2.56 114.93 117.74 2i8n h MET 74 Ca 0.18 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.56 2i8n h MET 74 Cb 0.38 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 2i8n h MET 74 CO 0.01 0.41 0.44 0.35 0.23 0.00 0.00 176.91 178.35 2i8n h PHE 75 N 0.32 0.77 -0.25 1.39 3.57 -1.17 0.21 116.94 121.78 2i8n h PHE 75 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2i8n h PHE 75 Cb 0.14 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2i8n h PHE 75 CO -0.01 0.45 0.15 0.77 -2.23 0.00 0.00 178.31 177.44 2i8n h SER 76 N 0.80 0.29 0.68 0.41 0.02 -0.98 -1.04 113.55 113.73 2i8n h SER 76 Ca 0.27 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 61.00 2i8n h SER 76 Cb 0.07 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2i8n h SER 76 CO -0.08 0.24 -0.84 -0.55 -1.14 0.00 0.00 176.83 174.46 2i8n h ASN 77 N 0.32 0.14 -0.13 3.07 7.08 -1.16 -3.20 115.58 121.70 2i8n h ASN 77 Ca 0.09 -0.12 -0.05 0.00 -3.08 0.00 0.00 56.30 53.14 2i8n h ASN 77 Cb -0.00 -0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 36.18 2i8n h ASN 77 CO -0.02 0.91 -0.06 0.00 -2.08 0.00 0.00 177.43 176.18 2i8n h TYR 79 N 0.40 0.90 -0.20 0.00 5.03 -1.18 0.80 116.97 122.71 2i8n h TYR 79 Ca 0.08 0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.21 2i8n h TYR 79 Cb 0.37 -0.30 0.01 0.00 1.55 0.00 0.00 36.73 38.35 2i8n h TYR 79 CO 0.01 0.51 -0.69 -0.22 -1.32 0.00 0.00 178.16 176.45 2i8n h LYS 80 N 0.93 0.81 0.13 1.82 3.64 -1.60 -3.29 116.57 119.00 2i8n h LYS 80 Ca 0.31 -0.60 -0.29 0.00 -1.27 0.00 0.00 60.65 58.80 2i8n h LYS 80 Cb 0.09 0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2i8n h LYS 80 CO -0.10 1.22 -1.24 -0.92 -2.27 0.00 0.00 179.45 176.15 2i8n h TYR 81 N 0.58 0.87 -2.70 1.91 3.20 -1.27 -3.45 116.97 116.11 2i8n h TYR 81 Ca -0.03 -0.56 -0.53 0.00 3.14 0.00 0.00 58.73 60.76 2i8n h TYR 81 Cb 1.31 -0.06 0.04 0.00 1.54 0.00 0.00 36.73 39.56 2i8n h TYR 81 CO 0.08 1.41 0.98 -0.80 -1.64 0.00 0.00 178.16 178.20 2i8n s ASN 82 N -7.36 6.50 0.16 -2.11 0.01 0.27 -4.97 114.94 107.45 2i8n s ASN 82 Ca -0.08 2.69 -0.30 0.00 -0.71 0.00 0.00 52.86 54.46 2i8n s ASN 82 Cb 0.06 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.06 2i8n s ASN 82 CO 0.92 -0.91 1.07 -2.16 -1.51 0.00 0.00 177.10 174.50 2i8n s PRO 83 N 1.75 4.62 0.14 -0.60 0.04 -1.26 -4.89 135.00 134.80 2i8n s PRO 83 Ca 0.74 1.65 -0.33 0.00 0.04 0.00 0.00 61.00 63.10 2i8n s PRO 83 Cb -0.45 -3.30 -0.13 0.00 0.04 0.00 0.00 34.50 30.66 2i8n s PRO 83 CO 0.33 0.11 1.70 -2.30 0.04 0.00 0.00 177.00 176.87 2i8n n PRO 84 N 2.49 2.45 -2.60 0.56 -0.02 -1.26 -3.57 135.00 133.04 2i8n n PRO 84 Ca 0.03 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.38 2i8n n PRO 84 Cb 0.47 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 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 4.30 -6.22 -3.93 2.55 -0.08 -1.26 -5.07 116.55 106.83 2i8n n ASP 85 Ca 0.17 0.02 -0.10 0.00 -1.51 0.00 0.00 54.79 53.38 2i8n n ASP 85 Cb 0.32 -4.14 -0.11 0.00 2.34 0.00 0.00 41.12 39.53 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 -2.86 0.14 0.22 -0.67 2.46 -1.23 -5.05 115.29 108.30 2i8n s HIS 86 Ca 0.03 -0.29 -0.07 0.00 0.47 0.00 0.00 55.06 55.19 2i8n s HIS 86 Cb -0.01 -0.11 0.29 0.00 -0.13 0.00 0.00 32.58 32.62 2i8n s HIS 86 CO 0.55 -0.19 1.82 0.93 -2.47 0.00 0.00 174.74 175.38 2i8n h GLU 87 N 4.79 0.76 -0.50 2.88 3.07 -1.98 -1.37 114.58 122.23 2i8n h GLU 87 Ca -0.30 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.49 2i8n h GLU 87 Cb 1.20 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 2i8n h GLU 87 CO 0.42 0.51 0.21 -0.39 -1.40 0.00 0.00 179.01 178.36 2i8n h VAL 88 N 0.79 1.18 -0.29 3.13 -1.51 -1.96 -2.34 116.25 115.24 2i8n h VAL 88 Ca 0.34 -0.55 -0.05 0.00 -1.23 0.00 0.00 66.70 65.21 2i8n h VAL 88 Cb 0.21 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 29.93 2i8n h VAL 88 CO -0.19 0.22 -0.01 0.58 -1.23 0.00 0.00 177.57 176.94 2i8n h VAL 89 N 0.71 1.26 -0.92 7.19 2.07 -1.60 -2.50 116.25 122.46 2i8n h VAL 89 Ca 0.17 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2i8n h VAL 89 Cb 0.12 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2i8n h VAL 89 CO -0.02 0.31 0.61 0.00 0.02 0.00 0.00 177.57 178.49 2i8n h ALA 90 N 0.83 1.40 -0.55 1.67 0.00 -1.06 -2.10 119.26 119.45 2i8n h ALA 90 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2i8n h ALA 90 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2i8n h ALA 90 CO 0.02 0.51 0.23 0.52 0.00 0.00 0.00 179.25 180.53 2i8n h MET 91 N 1.17 0.81 -0.20 0.00 2.86 -1.27 -2.62 114.93 115.68 2i8n h MET 91 Ca 0.36 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2i8n h MET 91 Cb -0.01 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2i8n h MET 91 CO -0.11 0.70 0.08 0.00 1.06 0.00 0.00 176.91 178.64 2i8n h ALA 92 N 1.07 0.23 -0.71 6.32 0.00 -0.94 -1.17 119.26 124.06 2i8n h ALA 92 Ca 0.18 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2i8n h ALA 92 Cb 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2i8n h ALA 92 CO -0.02 -0.35 0.35 0.00 0.00 0.00 0.00 179.25 179.24 2i8n h ARG 93 N 0.18 0.58 -0.61 0.00 -0.00 -1.28 -0.74 114.38 112.50 2i8n h ARG 93 Ca 0.09 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.48 2i8n h ARG 93 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 29.97 29.86 2i8n h ARG 93 CO -0.08 0.38 0.17 -0.22 0.00 0.00 0.00 179.97 180.22 2i8n h LYS 94 N 0.59 0.94 -0.65 0.04 3.64 -1.08 -2.39 116.57 117.66 2i8n h LYS 94 Ca 0.35 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2i8n h LYS 94 Cb 0.37 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2i8n h LYS 94 CO -0.27 0.82 0.33 -0.07 -2.27 0.00 0.00 179.45 177.99 2i8n h LEU 95 N 0.91 0.82 -0.26 5.20 4.07 0.08 -1.63 115.31 124.49 2i8n h LEU 95 Ca 0.20 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 2i8n h LEU 95 Cb 0.29 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2i8n h LEU 95 CO -0.00 0.69 -0.18 -0.61 -1.08 0.00 0.00 178.44 177.25 2i8n h GLN 96 N 0.92 0.59 -0.31 1.13 4.15 -0.93 -1.53 115.11 119.13 2i8n h GLN 96 Ca 0.23 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2i8n h GLN 96 Cb 0.07 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2i8n h GLN 96 CO -0.03 0.86 0.17 0.22 -1.93 0.00 0.00 178.83 178.12 2i8n h ASP 97 N 0.31 0.39 -0.48 -0.69 3.58 -1.16 0.15 116.42 118.52 2i8n h ASP 97 Ca 0.05 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 2i8n h ASP 97 Cb 0.72 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 2i8n h ASP 97 CO 0.05 0.37 0.05 1.62 -2.88 0.00 0.00 179.24 178.45 2i8n h VAL 98 N 0.38 1.25 0.02 2.25 3.04 -1.33 -0.70 116.25 121.17 2i8n h VAL 98 Ca 0.11 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 2i8n h VAL 98 Cb 0.07 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2i8n h VAL 98 CO -0.02 0.34 -0.01 0.15 -1.01 0.00 0.00 177.57 177.02 2i8n h PHE 99 N 0.67 -0.03 -0.66 3.17 3.57 -1.12 -1.70 116.94 120.84 2i8n h PHE 99 Ca 0.14 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2i8n h PHE 99 Cb 0.43 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2i8n h PHE 99 CO 0.03 0.23 0.43 1.49 -2.23 0.00 0.00 178.31 178.26 2i8n h GLU 100 N -0.29 0.84 -0.26 1.11 4.22 -0.69 0.27 114.58 119.77 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 0.28 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2i8n h GLU 100 CO 0.01 0.56 0.17 0.52 -2.18 0.00 0.00 179.01 178.08 2i8n h MET 101 N 0.87 0.34 -0.47 1.92 2.86 -1.07 0.21 114.93 119.58 2i8n h MET 101 Ca 0.25 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2i8n h MET 101 Cb -0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2i8n h MET 101 CO -0.07 0.22 -0.19 0.00 1.06 0.00 0.00 176.91 177.93 2i8n h ARG 102 N 0.35 0.95 -0.57 1.72 2.47 -0.99 -2.47 114.38 115.84 2i8n h ARG 102 Ca 0.10 -0.39 -0.07 0.00 -1.26 0.00 0.00 59.98 58.36 2i8n h ARG 102 Cb -0.04 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 2i8n h ARG 102 CO -0.02 1.05 0.08 0.35 0.56 0.00 0.00 179.97 181.99 2i8n h PHE 103 N 0.83 1.01 -0.20 3.04 3.04 -0.17 -2.42 116.94 122.07 2i8n h PHE 103 Ca 0.11 -0.14 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 2i8n h PHE 103 Cb 0.75 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 2i8n h PHE 103 CO 0.05 0.88 -0.16 0.00 -2.02 0.00 0.00 178.31 177.06 2i8n h ALA 104 N 1.00 1.37 -0.21 2.41 0.00 -0.51 -1.22 119.26 122.10 2i8n h ALA 104 Ca 0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2i8n h ALA 104 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2i8n h ALA 104 CO 0.01 0.43 -0.21 -0.22 0.00 0.00 0.00 179.25 179.27 2i8n h LYS 105 N 0.30 0.52 -0.15 0.00 3.64 -1.19 0.74 116.57 120.44 2i8n h LYS 105 Ca 0.06 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 2i8n h LYS 105 Cb 0.46 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2i8n h LYS 105 CO 0.03 0.85 -0.41 0.00 -2.27 0.00 0.00 179.45 177.65 2i8n h MET 106 N 0.20 0.33 0.18 1.90 -0.00 -1.29 -3.22 114.93 113.03 2i8n h MET 106 Ca 0.03 -0.16 -0.31 0.00 -0.00 0.00 0.00 59.70 59.27 2i8n h MET 106 Cb 0.75 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.37 2i8n h MET 106 CO 0.05 0.69 -1.49 -0.07 -0.00 0.00 0.00 176.91 176.09 2i8n h LEU 107 N 0.27 0.59 -0.60 -0.10 3.38 -1.19 -3.52 115.31 114.15 2i8n h LEU 107 Ca 0.02 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2i8n h LEU 107 Cb 0.84 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2i8n h LEU 107 CO 0.07 1.68 0.00 0.00 0.09 0.00 0.00 178.44 180.28