#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 0.81 -0.57 5.31 4.20 -2.02 -1.79 115.11 121.05 2i8n h GLN 2 Ca 0.00 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 2i8n h GLN 2 Cb 0.00 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2i8n h GLN 2 CO 0.00 0.74 0.35 -0.07 -0.67 0.00 0.00 178.83 179.18 2i8n h LEU 3 N 0.78 0.67 -0.55 1.46 3.38 -1.97 -0.74 115.31 118.33 2i8n h LEU 3 Ca 0.17 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2i8n h LEU 3 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2i8n h LEU 3 CO -0.00 0.52 -0.19 0.11 0.09 0.00 0.00 178.44 178.97 2i8n h LYS 4 N 0.77 0.96 -0.44 1.13 1.79 -1.94 -2.78 116.57 116.05 2i8n h LYS 4 Ca 0.20 -0.39 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 2i8n h LYS 4 Cb -0.04 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 2i8n h LYS 4 CO -0.04 1.06 0.19 0.00 -1.08 0.00 0.00 179.45 179.58 2i8n h SER 7 N 0.96 0.39 -0.27 0.00 0.02 -1.18 -1.87 113.55 111.61 2i8n h SER 7 Ca 0.29 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2i8n h SER 7 Cb -0.03 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2i8n h SER 7 CO -0.07 0.22 0.17 1.23 -1.14 0.00 0.00 176.83 177.24 2i8n h GLY 8 N 0.43 0.38 0.89 -3.77 0.00 -1.31 0.48 103.07 100.17 2i8n h GLY 8 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 2i8n h GLY 8 CO -0.11 0.13 0.08 -2.22 0.00 0.00 0.00 176.54 174.42 2i8n h ILE 9 N 0.35 1.20 -0.46 2.60 2.04 -1.45 -2.72 117.51 119.07 2i8n h ILE 9 Ca 0.10 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 2i8n h ILE 9 Cb -0.03 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2i8n h ILE 9 CO -0.03 0.20 0.13 0.25 0.00 0.00 0.00 178.15 178.70 2i8n h LEU 10 N 0.24 0.63 -2.19 1.44 5.85 -1.23 -2.17 115.31 117.89 2i8n h LEU 10 Ca 0.08 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2i8n h LEU 10 Cb 0.24 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2i8n h LEU 10 CO -0.00 0.62 0.10 0.50 -0.34 0.00 0.00 178.44 179.32 2i8n h LYS 11 N 0.67 0.00 -0.71 1.25 3.64 0.29 -1.67 116.57 120.04 2i8n h LYS 11 Ca 0.16 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2i8n h LYS 11 Cb 0.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2i8n h LYS 11 CO -0.01 0.00 0.47 1.49 -2.27 0.00 0.00 179.45 179.13 2i8n h GLU 12 N 0.00 0.80 -0.79 1.90 4.57 -1.27 0.69 114.58 120.49 2i8n h GLU 12 Ca 0.05 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2i8n h GLU 12 Cb 0.26 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 2i8n h GLU 12 CO -0.00 0.53 0.52 0.52 -1.18 0.00 0.00 179.01 179.40 2i8n h MET 13 N 0.83 0.86 -0.44 1.92 2.86 -1.45 -1.55 114.93 117.95 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 0.12 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2i8n h MET 13 CO -0.09 0.57 0.00 0.34 1.06 0.00 0.00 176.91 178.79 2i8n n PHE 14 N -4.47 0.58 0.11 -0.22 -0.00 -0.40 -2.93 117.46 110.13 2i8n n PHE 14 Ca 0.11 -0.41 0.07 0.00 -0.00 0.00 0.00 57.45 57.22 2i8n n PHE 14 Cb 0.19 -0.01 0.24 0.00 -0.00 0.00 0.00 39.48 39.90 2i8n n PHE 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2i8n n ALA 15 N 1.03 2.88 -2.43 3.13 0.00 0.23 -4.89 120.51 120.45 2i8n n ALA 15 Ca 0.16 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 2i8n n ALA 15 Cb 0.50 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.78 0.00 0.00 5.02 -1.25 -4.89 118.16 115.98 2i8n n LYS 16 Ca 0.18 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2i8n n LYS 16 Cb 0.63 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.95 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 -2.37 0.75 -0.08 1.97 5.02 -1.17 -4.79 118.16 117.48 2i8n n LYS 17 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 2i8n n LYS 17 Cb 0.59 -0.92 0.12 0.00 -0.02 0.00 0.00 35.03 34.81 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 -2.21 0.06 0.08 2.13 8.25 -0.93 -4.66 115.22 117.94 2i8n n HIS 18 Ca 0.00 -0.90 -0.06 0.00 -0.26 0.00 0.00 57.72 56.50 2i8n n HIS 18 Cb 0.42 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 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 0.13 0.49 -0.31 -1.41 0.00 -1.75 -1.86 119.26 114.57 2i8n h ALA 19 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 53.94 2i8n h ALA 19 Cb 0.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2i8n h ALA 19 CO 0.01 1.14 -0.39 0.00 0.00 0.00 0.00 179.25 180.01 2i8n h ALA 20 N 1.09 0.73 0.10 0.00 0.00 -1.89 0.99 119.26 120.27 2i8n h ALA 20 Ca -0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 2i8n h ALA 20 Cb 1.62 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2i8n h ALA 20 CO 0.12 0.66 -1.20 1.88 0.00 0.00 0.00 179.25 180.71 2i8n h TYR 21 N 0.60 0.39 -0.53 0.00 -1.99 -1.88 -3.27 116.97 110.28 2i8n h TYR 21 Ca 0.05 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.50 2i8n h TYR 21 Cb 0.94 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.65 2i8n h TYR 21 CO 0.05 1.23 0.00 0.00 -0.00 0.00 0.00 178.16 179.43 2i8n n ALA 22 N -2.50 3.69 0.08 3.88 0.00 -0.70 -4.52 120.51 120.43 2i8n n ALA 22 Ca -0.07 -1.71 -0.13 0.00 0.00 0.00 0.00 53.44 51.53 2i8n n ALA 22 Cb 1.01 -1.11 -0.08 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 3.66 -0.14 0.00 0.00 7.01 -0.85 0.39 115.95 126.02 2i8n h TRP 23 Ca 0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2i8n h TRP 23 Cb 1.80 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.90 2i8n h TRP 23 CO 0.97 0.06 -0.04 -1.35 -2.79 0.00 0.00 178.44 175.30 2i8n h PRO 24 N -0.33 0.00 -0.32 2.65 0.11 -1.85 -2.55 132.00 129.71 2i8n h PRO 24 Ca -0.02 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.85 2i8n h PRO 24 Cb 0.27 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.14 2i8n h PRO 24 CO 0.03 0.04 -0.73 0.34 -0.21 0.00 0.00 178.00 177.46 2i8n n PHE 25 N -3.51 1.14 -0.01 0.65 7.35 -1.09 -4.79 117.46 117.21 2i8n n PHE 25 Ca -0.02 -1.72 -0.16 0.00 -0.76 0.00 0.00 57.45 54.78 2i8n n PHE 25 Cb 0.14 -0.27 -0.12 0.00 0.35 0.00 0.00 39.48 39.58 2i8n n PHE 25 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 2i8n h TYR 26 N 1.59 0.33 -1.72 -5.13 3.20 0.22 -3.37 116.97 112.09 2i8n h TYR 26 Ca 0.10 -0.19 -0.46 0.00 3.14 0.00 0.00 58.73 61.32 2i8n h TYR 26 Cb 1.32 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 2i8n h TYR 26 CO 0.71 1.04 -0.37 0.15 -1.64 0.00 0.00 178.16 178.05 2i8n s LYS 27 N -2.92 2.86 0.17 1.82 1.02 -1.26 -4.17 119.74 117.25 2i8n s LYS 27 Ca -0.15 -1.21 -0.03 0.00 0.02 0.00 0.00 55.97 54.60 2i8n s LYS 27 Cb 0.01 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.72 2i8n s LYS 27 CO 0.76 -0.02 0.16 -0.35 -0.92 0.00 0.00 175.35 174.99 2i8n n PRO 28 N -1.58 -1.06 -3.55 -1.68 -0.04 -1.26 -4.79 135.00 121.04 2i8n n PRO 28 Ca 0.01 -0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 62.88 2i8n n PRO 28 Cb 0.59 -0.23 -0.07 0.00 -0.04 0.00 0.00 33.50 33.76 2i8n n PRO 28 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2i8n n VAL 29 N -2.71 2.93 -1.56 0.52 0.24 -1.26 -5.03 118.33 111.46 2i8n n VAL 29 Ca 0.02 -5.21 -0.33 0.00 -2.04 0.00 0.00 64.34 56.79 2i8n n VAL 29 Cb 0.08 -2.24 -0.04 0.00 -1.47 0.00 0.00 33.84 30.18 2i8n n VAL 29 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2i8n s ASP 30 N -1.17 4.34 0.28 -1.34 1.01 -1.26 -4.81 116.67 113.72 2i8n s ASP 30 Ca 0.31 0.93 -0.03 0.00 0.71 0.00 0.00 52.55 54.47 2i8n s ASP 30 Cb 0.00 -2.51 0.38 0.00 1.01 0.00 0.00 42.92 41.80 2i8n s ASP 30 CO -0.08 -3.04 1.93 1.62 0.21 0.00 0.00 175.17 175.82 2i8n h VAL 31 N 7.70 1.23 -0.08 -1.27 3.04 -1.95 0.56 116.25 125.48 2i8n h VAL 31 Ca -0.21 -0.47 -0.06 0.00 -1.01 0.00 0.00 66.70 64.95 2i8n h VAL 31 Cb 1.23 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2i8n h VAL 31 CO 1.14 0.23 -0.20 -0.33 -1.01 0.00 0.00 177.57 177.40 2i8n h GLU 32 N 1.16 0.27 -0.04 4.17 5.08 -1.95 0.25 114.58 123.52 2i8n h GLU 32 Ca 0.31 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2i8n h GLU 32 Cb -0.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2i8n h GLU 32 CO -0.06 0.80 -0.11 0.00 -1.00 0.00 0.00 179.01 178.64 2i8n h ALA 33 N 0.47 0.06 0.00 3.43 0.00 -1.92 -3.29 119.26 118.00 2i8n h ALA 33 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2i8n h ALA 33 Cb 0.81 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2i8n h ALA 33 CO 0.04 -0.04 -0.23 -0.07 0.00 0.00 0.00 179.25 178.95 2i8n h LEU 34 N -0.42 0.00 -1.90 0.00 3.38 -0.01 -3.48 115.31 112.87 2i8n h LEU 34 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2i8n h LEU 34 Cb 0.74 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.63 2i8n h LEU 34 CO 0.02 0.15 -0.63 0.61 0.09 0.00 0.00 178.44 178.69 2i8n n GLY 35 N 1.15 -0.31 2.54 0.83 0.00 0.87 -4.98 105.19 105.29 2i8n n GLY 35 Ca 0.03 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2i8n n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2i8n n LEU 36 N -3.35 3.86 0.14 0.99 -0.00 -1.11 -4.87 117.00 112.67 2i8n n LEU 36 Ca -0.19 -5.39 0.12 0.00 -0.00 0.00 0.00 56.01 50.54 2i8n n LEU 36 Cb 0.63 -0.73 0.53 0.00 -0.00 0.00 0.00 43.42 43.84 2i8n n LEU 36 CO 0.48 1.98 0.85 0.00 -0.00 0.00 0.00 177.39 180.71 2i8n n HIS 37 N 1.06 0.82 0.26 1.47 1.44 -1.26 -2.00 115.22 117.00 2i8n n HIS 37 Ca 0.28 0.35 0.14 0.00 -2.01 0.00 0.00 57.72 56.48 2i8n n HIS 37 Cb 0.40 -1.06 0.38 0.00 0.12 0.00 0.00 29.99 29.82 2i8n n HIS 37 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 2i8n h ASP 38 N 0.00 0.00 -0.84 4.39 3.58 -1.99 -3.21 116.42 118.35 2i8n h ASP 38 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2i8n h ASP 38 Cb 0.27 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 2i8n h ASP 38 CO 0.00 0.00 0.48 0.22 -2.88 0.00 0.00 179.24 177.06 2i8n h TYR 39 N 0.00 1.14 -0.48 0.28 5.03 -1.79 -0.93 116.97 120.22 2i8n h TYR 39 Ca 0.00 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.20 2i8n h TYR 39 Cb 0.80 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 38.69 2i8n h TYR 39 CO 0.00 0.78 -0.08 0.00 -1.32 0.00 0.00 178.16 177.54 2i8n h ASP 41 N 0.78 0.87 0.06 0.00 1.82 -1.54 -3.33 116.42 115.08 2i8n h ASP 41 Ca 0.13 -0.36 -0.00 0.00 -0.39 0.00 0.00 57.03 56.41 2i8n h ASP 41 Cb 0.58 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2i8n h ASP 41 CO 0.04 1.03 -0.03 0.40 -1.61 0.00 0.00 179.24 179.07 2i8n h ILE 42 N 0.69 0.89 -3.31 2.25 2.04 -1.04 -3.42 117.51 115.62 2i8n h ILE 42 Ca 0.11 -1.51 -0.74 0.00 1.00 0.00 0.00 64.86 63.72 2i8n h ILE 42 Cb 0.66 1.63 -0.23 0.00 -0.74 0.00 0.00 36.82 38.14 2i8n h ILE 42 CO 0.05 0.28 -0.34 -0.63 0.00 0.00 0.00 178.15 177.51 2i8n s ILE 43 N -2.38 5.09 0.35 -0.67 -1.09 0.19 -4.93 121.20 117.76 2i8n s ILE 43 Ca -0.11 -1.14 0.19 0.00 -2.23 0.00 0.00 60.65 57.36 2i8n s ILE 43 Cb -0.01 -4.07 0.19 0.00 -1.58 0.00 0.00 42.46 36.99 2i8n s ILE 43 CO 0.39 -0.59 1.92 0.07 -1.23 0.00 0.00 174.94 175.50 2i8n h LYS 44 N 8.72 0.00 -2.28 2.79 2.10 -1.80 -3.32 116.57 122.77 2i8n h LYS 44 Ca -0.28 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.78 2i8n h LYS 44 Cb 1.11 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.03 2i8n h LYS 44 CO 0.87 0.25 -0.77 0.72 -2.00 0.00 0.00 179.45 178.52 2i8n n HIS 45 N -3.85 2.01 -1.71 0.07 8.25 -1.26 -5.08 115.22 113.66 2i8n n HIS 45 Ca -0.02 -3.93 -0.43 0.00 -0.26 0.00 0.00 57.72 53.08 2i8n n HIS 45 Cb 0.34 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 2i8n n HIS 45 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2i8n n PRO 46 N 1.35 2.50 -3.65 -0.41 -0.02 -1.25 -4.92 135.00 128.60 2i8n n PRO 46 Ca 0.26 0.90 -0.06 0.00 -2.02 0.00 0.00 63.50 62.57 2i8n n PRO 46 Cb 0.44 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 31.17 2i8n n PRO 46 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2i8n s MET 47 N 0.40 0.62 0.39 -0.52 -1.94 -1.26 -5.12 119.30 111.86 2i8n s MET 47 Ca 0.72 1.20 0.05 0.00 -1.71 0.00 0.00 55.69 55.95 2i8n s MET 47 Cb -0.56 0.27 -0.07 0.00 2.01 0.00 0.00 34.83 36.47 2i8n s MET 47 CO 0.41 -0.17 0.03 -0.51 -0.01 0.00 0.00 175.02 174.77 2i8n s ASP 48 N 1.89 3.31 0.36 3.03 1.11 -1.26 -4.84 116.67 120.27 2i8n s ASP 48 Ca -0.09 -1.40 0.08 0.00 0.18 0.00 0.00 52.55 51.32 2i8n s ASP 48 Cb -0.07 -0.19 0.80 0.00 1.07 0.00 0.00 42.92 44.52 2i8n s ASP 48 CO -0.18 -0.55 1.91 -0.03 1.18 0.00 0.00 175.17 177.50 2i8n h MET 49 N 1.87 0.69 -0.78 8.23 1.85 -1.85 0.27 114.93 125.20 2i8n h MET 49 Ca -0.43 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 58.60 2i8n h MET 49 Cb 1.25 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 33.09 2i8n h MET 49 CO 0.76 0.45 0.38 1.03 -0.40 0.00 0.00 176.91 179.13 2i8n h SER 50 N 0.71 1.01 0.14 1.39 0.87 -1.85 -1.03 113.55 114.79 2i8n h SER 50 Ca 0.38 -0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.64 2i8n h SER 50 Cb 0.51 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2i8n h SER 50 CO -0.15 0.85 -0.73 0.74 -0.53 0.00 0.00 176.83 177.01 2i8n h THR 51 N 1.11 1.35 -0.31 2.23 2.02 -1.40 -2.46 112.91 115.44 2i8n h THR 51 Ca 0.27 -2.07 -0.05 0.00 0.77 0.00 0.00 66.41 65.32 2i8n h THR 51 Cb 0.10 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2i8n h THR 51 CO -0.04 0.63 -0.02 0.40 0.37 0.00 0.00 175.52 176.87 2i8n h ILE 52 N 0.35 1.26 -0.33 3.11 2.04 -0.81 -3.00 117.51 120.14 2i8n h ILE 52 Ca -0.03 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 2i8n h ILE 52 Cb 1.31 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2i8n h ILE 52 CO 0.13 0.32 -0.15 0.11 0.00 0.00 0.00 178.15 178.56 2i8n h LYS 53 N 0.35 0.58 -0.91 2.37 1.57 -1.24 -2.91 116.57 116.39 2i8n h LYS 53 Ca 0.09 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2i8n h LYS 53 Cb 0.47 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2i8n h LYS 53 CO 0.02 0.71 0.58 0.66 -0.57 0.00 0.00 179.45 180.84 2i8n h SER 54 N 0.53 0.92 -0.31 0.86 4.64 -1.31 0.39 113.55 119.27 2i8n h SER 54 Ca 0.09 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2i8n h SER 54 Cb 0.56 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2i8n h SER 54 CO 0.04 0.60 0.16 0.11 -0.87 0.00 0.00 176.83 176.86 2i8n h LYS 55 N 1.06 0.43 -0.28 4.77 1.79 -1.39 -2.13 116.57 120.83 2i8n h LYS 55 Ca 0.39 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.71 2i8n h LYS 55 Cb 0.14 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2i8n h LYS 55 CO -0.16 0.39 -0.20 1.25 -1.08 0.00 0.00 179.45 179.64 2i8n h LEU 56 N 0.37 0.50 -0.85 2.94 5.85 -1.31 0.29 115.31 123.10 2i8n h LEU 56 Ca 0.11 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2i8n h LEU 56 Cb 0.09 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2i8n h LEU 56 CO -0.02 0.72 0.54 -0.33 -0.34 0.00 0.00 178.44 179.01 2i8n h GLU 57 N 0.45 1.13 -0.60 1.25 5.08 0.18 -1.86 114.58 120.21 2i8n h GLU 57 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2i8n h GLU 57 Cb 0.61 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2i8n h GLU 57 CO 0.04 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.82 2i8n n ALA 58 N -2.35 2.87 -2.20 3.43 0.00 -0.84 -4.89 120.51 116.52 2i8n n ALA 58 Ca 0.09 -0.87 -0.20 0.00 0.00 0.00 0.00 53.44 52.45 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 0.49 -1.66 0.08 0.00 0.63 -0.70 -4.87 116.66 110.64 2i8n n ARG 59 Ca 0.14 1.04 -0.06 0.00 -0.92 0.00 0.00 57.85 58.05 2i8n n ARG 59 Cb 0.56 -5.63 0.08 0.00 0.45 0.00 0.00 32.46 27.92 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 0.22 -6.09 -0.14 5.08 -0.64 -3.42 114.58 109.59 2i8n h GLU 60 Ca -0.47 -0.18 -0.53 0.00 -1.00 0.00 0.00 59.36 57.19 2i8n h GLU 60 Cb 1.35 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 2i8n h GLU 60 CO 0.58 0.83 1.32 0.71 -1.00 0.00 0.00 179.01 181.45 2i8n s TYR 61 N -3.57 1.72 0.46 4.33 2.02 -1.22 -4.84 117.35 116.25 2i8n s TYR 61 Ca -0.04 0.76 0.16 0.00 -0.37 0.00 0.00 57.07 57.59 2i8n s TYR 61 Cb 0.11 -4.09 1.10 0.00 -0.40 0.00 0.00 41.96 38.68 2i8n s TYR 61 CO 0.81 -2.52 2.03 0.00 -1.57 0.00 0.00 175.55 174.29 2i8n h ARG 62 N 14.22 0.00 -2.67 -0.62 3.08 -1.96 -3.47 114.38 122.96 2i8n h ARG 62 Ca -0.29 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.88 2i8n h ARG 62 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2i8n h ARG 62 CO 1.14 0.15 0.52 0.16 -1.07 0.00 0.00 179.97 180.87 2i8n s ASP 63 N -6.91 0.02 0.50 7.04 1.47 -1.26 -5.02 116.67 112.50 2i8n s ASP 63 Ca -0.04 -0.82 0.29 0.00 1.18 0.00 0.00 52.55 53.16 2i8n s ASP 63 Cb 0.16 0.59 1.03 0.00 -0.34 0.00 0.00 42.92 44.35 2i8n s ASP 63 CO 0.68 -1.17 1.86 0.00 0.68 0.00 0.00 175.17 177.22 2i8n h ALA 64 N 2.00 0.99 -0.33 2.11 0.00 -1.94 -3.16 119.26 118.94 2i8n h ALA 64 Ca -0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2i8n h ALA 64 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2i8n h ALA 64 CO 0.38 0.08 0.14 0.37 0.00 0.00 0.00 179.25 180.22 2i8n h GLN 65 N 0.00 0.49 -0.01 0.00 5.75 -2.00 -2.41 115.11 116.93 2i8n h GLN 65 Ca -0.00 -0.08 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 2i8n h GLN 65 Cb 0.69 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 2i8n h GLN 65 CO 0.01 0.47 -0.39 1.49 -2.65 0.00 0.00 178.83 177.76 2i8n h GLU 66 N 0.39 0.01 -0.03 1.69 4.81 -1.97 -3.05 114.58 116.43 2i8n h GLU 66 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2i8n h GLU 66 Cb 0.16 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2i8n h GLU 66 CO -0.01 0.40 0.02 0.35 -0.73 0.00 0.00 179.01 179.03 2i8n h PHE 67 N 0.01 0.03 -0.32 0.92 3.04 -1.42 -2.40 116.94 116.80 2i8n h PHE 67 Ca -0.00 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.95 2i8n h PHE 67 Cb 0.69 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 2i8n h PHE 67 CO 0.00 0.02 0.21 0.78 -2.02 0.00 0.00 178.31 177.30 2i8n h GLY 68 N 0.04 0.44 1.38 2.40 0.00 -1.36 -1.89 103.07 104.07 2i8n h GLY 68 Ca 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2i8n h GLY 68 CO -0.01 0.16 0.40 0.00 0.00 0.00 0.00 176.54 177.09 2i8n h ALA 69 N 1.80 1.59 -0.07 3.60 0.00 -1.36 0.30 119.26 125.12 2i8n h ALA 69 Ca 0.12 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2i8n h ALA 69 Cb -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.54 2i8n h ALA 69 CO -0.03 0.37 -0.89 -0.44 0.00 0.00 0.00 179.25 178.26 2i8n h ASP 70 N 0.79 0.91 -0.12 0.00 5.19 -1.21 -2.70 116.42 119.29 2i8n h ASP 70 Ca 0.23 -0.69 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 2i8n h ASP 70 Cb -0.05 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.18 2i8n h ASP 70 CO -0.05 1.46 0.03 0.58 -3.12 0.00 0.00 179.24 178.14 2i8n h VAL 71 N 0.44 1.20 -0.34 -1.35 2.07 -1.11 -0.70 116.25 116.46 2i8n h VAL 71 Ca -0.09 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2i8n h VAL 71 Cb 1.54 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2i8n h VAL 71 CO 0.18 0.19 0.13 0.08 0.02 0.00 0.00 177.57 178.17 2i8n h ARG 72 N -0.02 0.47 -0.10 1.57 0.11 -1.04 -0.91 114.38 114.47 2i8n h ARG 72 Ca 0.04 -0.06 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 2i8n h ARG 72 Cb 0.27 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 2i8n h ARG 72 CO 0.00 0.40 -0.14 1.25 0.10 0.00 0.00 179.97 181.58 2i8n h LEU 73 N 0.48 0.29 -0.60 0.08 5.85 -1.27 -2.75 115.31 117.38 2i8n h LEU 73 Ca 0.12 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2i8n h LEU 73 Cb 0.11 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2i8n h LEU 73 CO -0.01 0.76 0.38 -0.03 -0.34 0.00 0.00 178.44 179.20 2i8n h MET 74 N -0.17 0.81 -0.68 1.25 4.05 -0.81 -2.44 114.93 116.94 2i8n h MET 74 Ca 0.01 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2i8n h MET 74 Cb 0.70 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 2i8n h MET 74 CO 0.03 0.56 0.42 0.74 0.23 0.00 0.00 176.91 178.90 2i8n h PHE 75 N 0.82 0.79 -0.47 1.39 -1.00 -1.20 0.43 116.94 117.69 2i8n h PHE 75 Ca 0.22 0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.04 2i8n h PHE 75 Cb -0.05 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.22 2i8n h PHE 75 CO -0.03 0.44 0.29 1.03 -1.61 0.00 0.00 178.31 178.44 2i8n h SER 76 N 0.82 0.48 -0.34 2.17 0.87 -1.16 -0.30 113.55 116.09 2i8n h SER 76 Ca 0.28 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.66 2i8n h SER 76 Cb 0.04 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2i8n h SER 76 CO -0.12 0.35 -0.46 0.78 -0.53 0.00 0.00 176.83 176.85 2i8n h ASN 77 N 0.59 0.99 -0.77 6.23 2.35 -0.98 -3.16 115.58 120.84 2i8n h ASN 77 Ca 0.18 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.46 2i8n h ASN 77 Cb -0.02 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.03 2i8n h ASN 77 CO -0.07 1.29 0.50 0.00 -1.65 0.00 0.00 177.43 177.50 2i8n h TYR 79 N 0.99 1.20 -0.22 0.00 3.20 -1.03 0.92 116.97 122.03 2i8n h TYR 79 Ca 0.30 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 2i8n h TYR 79 Cb -0.04 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.82 2i8n h TYR 79 CO -0.03 0.66 -0.08 -0.22 -1.64 0.00 0.00 178.16 176.86 2i8n h LYS 80 N 1.21 0.45 -0.23 1.82 3.64 -1.39 -3.23 116.57 118.84 2i8n h LYS 80 Ca 0.41 -0.18 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 2i8n h LYS 80 Cb 0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2i8n h LYS 80 CO -0.14 0.70 -0.64 -0.92 -2.27 0.00 0.00 179.45 176.18 2i8n h TYR 81 N 0.17 1.09 -2.81 1.91 5.03 -0.93 -3.44 116.97 117.99 2i8n h TYR 81 Ca 0.05 -0.43 -0.54 0.00 2.58 0.00 0.00 58.73 60.40 2i8n h TYR 81 Cb 0.55 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.65 2i8n h TYR 81 CO 0.06 1.26 0.91 -0.80 -1.32 0.00 0.00 178.16 178.26 2i8n s ASN 82 N -7.02 6.73 0.89 -2.11 0.01 0.32 -5.01 114.94 108.75 2i8n s ASN 82 Ca -0.10 2.29 -0.11 0.00 -0.71 0.00 0.00 52.86 54.22 2i8n s ASN 82 Cb 0.10 -2.56 0.12 0.00 0.41 0.00 0.00 41.25 39.32 2i8n s ASN 82 CO 0.90 -0.80 1.09 -2.16 -1.51 0.00 0.00 177.10 174.62 2i8n s PRO 83 N 2.47 1.31 0.03 -0.60 0.04 -1.26 -4.83 135.00 132.16 2i8n s PRO 83 Ca 0.68 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2i8n s PRO 83 Cb -0.35 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2i8n s PRO 83 CO 0.29 -2.22 1.16 -1.25 0.04 0.00 0.00 177.00 175.03 2i8n s PRO 84 N -4.91 4.43 -0.79 0.56 0.04 -1.26 -4.06 135.00 129.01 2i8n s PRO 84 Ca 0.63 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2i8n s PRO 84 Cb -0.18 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 2i8n s PRO 84 CO 0.57 -0.27 0.74 -3.47 0.04 0.00 0.00 177.00 174.61 2i8n n ASP 85 N 4.21 -7.53 -4.23 6.66 -0.08 -1.26 -5.05 116.55 109.27 2i8n n ASP 85 Ca 0.09 -0.19 -0.15 0.00 -1.51 0.00 0.00 54.79 53.03 2i8n n ASP 85 Cb 0.47 -5.26 -0.10 0.00 2.34 0.00 0.00 41.12 38.57 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 -3.07 1.23 0.20 -0.67 2.46 -1.26 -5.04 115.29 109.14 2i8n s HIS 86 Ca 0.09 -0.70 -0.10 0.00 0.47 0.00 0.00 55.06 54.82 2i8n s HIS 86 Cb -0.01 -0.64 0.20 0.00 -0.13 0.00 0.00 32.58 32.00 2i8n s HIS 86 CO 0.74 0.07 1.81 0.93 -2.47 0.00 0.00 174.74 175.82 2i8n h GLU 87 N 3.12 0.66 -0.21 2.88 5.08 -1.96 -1.13 114.58 123.00 2i8n h GLU 87 Ca -0.37 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 2i8n h GLU 87 Cb 1.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2i8n h GLU 87 CO 0.58 0.43 -0.09 -0.39 -1.00 0.00 0.00 179.01 178.55 2i8n h VAL 88 N 0.68 1.18 -0.24 3.13 -1.51 -1.96 -2.80 116.25 114.72 2i8n h VAL 88 Ca 0.27 -0.78 -0.08 0.00 -1.23 0.00 0.00 66.70 64.89 2i8n h VAL 88 Cb 0.13 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2i8n h VAL 88 CO -0.16 0.25 -0.15 0.58 -1.23 0.00 0.00 177.57 176.87 2i8n h VAL 89 N 0.32 1.31 -0.96 7.19 2.07 -1.59 -2.64 116.25 121.95 2i8n h VAL 89 Ca 0.07 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.42 2i8n h VAL 89 Cb 0.36 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 2i8n h VAL 89 CO 0.02 0.39 0.62 0.00 0.02 0.00 0.00 177.57 178.62 2i8n h ALA 90 N 0.71 1.50 -0.61 1.67 0.00 -1.01 -1.44 119.26 120.08 2i8n h ALA 90 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2i8n h ALA 90 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2i8n h ALA 90 CO 0.04 0.33 0.01 0.52 0.00 0.00 0.00 179.25 180.16 2i8n h MET 91 N 1.05 1.06 -0.78 0.00 2.86 -1.41 -2.93 114.93 114.78 2i8n h MET 91 Ca 0.43 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2i8n h MET 91 Cb 0.28 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2i8n h MET 91 CO -0.19 1.03 0.50 0.00 1.06 0.00 0.00 176.91 179.32 2i8n h ALA 92 N 0.99 1.02 -0.12 6.32 0.00 -0.90 0.23 119.26 126.80 2i8n h ALA 92 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2i8n h ALA 92 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2i8n h ALA 92 CO 0.03 0.34 0.05 0.00 0.00 0.00 0.00 179.25 179.67 2i8n h ARG 93 N 1.00 0.11 -0.55 0.00 -0.00 -1.28 -0.52 114.38 113.14 2i8n h ARG 93 Ca 0.30 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.98 59.68 2i8n h ARG 93 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 29.90 2i8n h ARG 93 CO -0.10 0.08 -0.06 -0.22 0.00 0.00 0.00 179.97 179.67 2i8n h LYS 94 N 0.12 0.99 -0.48 0.04 3.64 -1.31 -2.66 116.57 116.91 2i8n h LYS 94 Ca 0.05 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 2i8n h LYS 94 Cb 0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2i8n h LYS 94 CO -0.04 1.01 0.25 -0.07 -2.27 0.00 0.00 179.45 178.33 2i8n h LEU 95 N 0.89 0.59 -0.24 5.20 3.38 -0.21 -1.01 115.31 123.91 2i8n h LEU 95 Ca 0.15 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2i8n h LEU 95 Cb 0.61 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2i8n h LEU 95 CO 0.04 0.49 -0.16 -0.61 0.09 0.00 0.00 178.44 178.29 2i8n h GLN 96 N 0.67 0.53 -0.26 1.13 4.15 -0.85 -1.90 115.11 118.58 2i8n h GLN 96 Ca 0.17 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 2i8n h GLN 96 Cb 0.04 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2i8n h GLN 96 CO -0.03 0.82 0.10 0.22 -1.93 0.00 0.00 178.83 178.01 2i8n h ASP 97 N 0.24 0.36 -0.60 -0.69 3.58 -1.13 -0.15 116.42 118.04 2i8n h ASP 97 Ca 0.05 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 2i8n h ASP 97 Cb 0.69 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 2i8n h ASP 97 CO 0.04 0.44 0.30 1.62 -2.88 0.00 0.00 179.24 178.76 2i8n h VAL 98 N 0.26 1.21 -0.03 2.25 3.04 -1.23 0.22 116.25 121.98 2i8n h VAL 98 Ca 0.09 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2i8n h VAL 98 Cb 0.20 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 29.97 2i8n h VAL 98 CO -0.01 0.24 0.01 0.15 -1.01 0.00 0.00 177.57 176.95 2i8n h PHE 99 N 0.81 0.04 -0.61 3.17 3.57 -1.23 -1.21 116.94 121.48 2i8n h PHE 99 Ca 0.21 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2i8n h PHE 99 Cb 0.10 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2i8n h PHE 99 CO -0.00 0.26 0.30 1.49 -2.23 0.00 0.00 178.31 178.13 2i8n h GLU 100 N -0.18 0.88 -0.22 1.11 4.22 -0.91 0.77 114.58 120.25 2i8n h GLU 100 Ca 0.01 -0.13 0.01 0.00 0.08 0.00 0.00 59.36 59.33 2i8n h GLU 100 Cb 0.23 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2i8n h GLU 100 CO 0.00 0.70 0.13 0.52 -2.18 0.00 0.00 179.01 178.18 2i8n h MET 101 N 0.84 0.26 -0.32 1.92 2.86 -0.49 0.15 114.93 120.16 2i8n h MET 101 Ca 0.21 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2i8n h MET 101 Cb 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2i8n h MET 101 CO -0.03 0.17 -0.06 0.00 1.06 0.00 0.00 176.91 178.05 2i8n h ARG 102 N 0.27 0.60 -0.14 1.72 -0.00 -1.04 0.02 114.38 115.80 2i8n h ARG 102 Ca 0.08 -0.22 0.00 0.00 -0.50 0.00 0.00 59.98 59.34 2i8n h ARG 102 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 29.91 2i8n h ARG 102 CO -0.03 0.78 0.09 0.74 0.00 0.00 0.00 179.97 181.54 2i8n h PHE 103 N 0.38 0.16 -0.44 3.04 -1.00 -0.66 0.40 116.94 118.83 2i8n h PHE 103 Ca 0.08 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.77 2i8n h PHE 103 Cb 0.55 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 2i8n h PHE 103 CO 0.05 0.10 -0.14 0.00 -1.61 0.00 0.00 178.31 176.71 2i8n h ALA 104 N 1.06 0.94 -0.14 2.45 0.00 -0.68 -1.12 119.26 121.77 2i8n h ALA 104 Ca 0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2i8n h ALA 104 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2i8n h ALA 104 CO -0.02 0.62 -0.37 -0.22 0.00 0.00 0.00 179.25 179.26 2i8n h LYS 105 N 0.72 0.50 -0.28 0.00 3.64 -0.71 0.48 116.57 120.92 2i8n h LYS 105 Ca 0.12 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 2i8n h LYS 105 Cb 0.63 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2i8n h LYS 105 CO 0.04 0.96 -0.04 1.98 -2.27 0.00 0.00 179.45 180.12 2i8n h MET 106 N 0.11 0.52 0.17 1.90 4.05 -0.18 -3.25 114.93 118.25 2i8n h MET 106 Ca -0.01 -0.19 -0.31 0.00 -0.28 0.00 0.00 59.70 58.92 2i8n h MET 106 Cb 0.98 -0.04 0.03 0.00 -0.80 0.00 0.00 31.60 31.78 2i8n h MET 106 CO 0.08 0.71 -1.32 1.25 0.23 0.00 0.00 176.91 177.86 2i8n h LEU 107 N 0.28 0.87 0.00 3.39 6.46 -1.29 -3.51 115.31 121.52 2i8n h LEU 107 Ca 0.07 -0.86 0.00 0.00 -0.12 0.00 0.00 57.88 56.98 2i8n h LEU 107 Cb 0.50 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2i8n h LEU 107 CO 0.02 1.65 0.00 1.67 -0.62 0.00 0.00 178.44 181.16