#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 0.77 -0.73 5.31 4.20 -1.99 -2.48 115.11 120.19 2i8n h GLN 2 Ca 0.00 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.64 2i8n h GLN 2 Cb 0.00 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 2i8n h GLN 2 CO 0.00 0.62 0.48 1.37 -0.67 0.00 0.00 178.83 180.63 2i8n h LEU 3 N 0.73 0.76 -1.40 1.46 8.10 -1.88 -1.61 115.31 121.47 2i8n h LEU 3 Ca 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 58.15 2i8n h LEU 3 Cb 0.09 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.11 2i8n h LEU 3 CO -0.03 0.52 0.21 0.11 -4.11 0.00 0.00 178.44 175.14 2i8n h LYS 4 N 0.88 0.61 -0.79 0.17 1.79 -1.85 -2.27 116.57 115.12 2i8n h LYS 4 Ca 0.29 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 2i8n h LYS 4 Cb 0.05 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 2i8n h LYS 4 CO -0.08 0.48 0.37 0.00 -1.08 0.00 0.00 179.45 179.14 2i8n h SER 7 N 1.16 1.02 -0.82 0.00 0.87 -1.36 -1.78 113.55 112.64 2i8n h SER 7 Ca 0.33 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2i8n h SER 7 Cb -0.10 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.60 2i8n h SER 7 CO -0.08 0.68 0.54 1.23 -0.53 0.00 0.00 176.83 178.67 2i8n h GLY 8 N 1.17 1.16 0.84 5.77 0.00 -1.33 0.21 103.07 110.88 2i8n h GLY 8 Ca 0.40 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2i8n h GLY 8 CO -0.14 0.41 -0.02 -2.22 0.00 0.00 0.00 176.54 174.56 2i8n h ILE 9 N 1.09 1.27 -0.46 2.60 2.04 -1.30 -2.93 117.51 119.82 2i8n h ILE 9 Ca 0.31 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 2i8n h ILE 9 Cb -0.10 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2i8n h ILE 9 CO -0.07 0.30 0.13 -0.07 0.00 0.00 0.00 178.15 178.44 2i8n h LEU 10 N 0.20 0.62 -2.14 1.44 3.38 -1.02 -2.33 115.31 115.46 2i8n h LEU 10 Ca 0.07 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2i8n h LEU 10 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2i8n h LEU 10 CO 0.02 0.60 0.11 0.11 0.09 0.00 0.00 178.44 179.37 2i8n h LYS 11 N 0.66 0.00 -0.70 1.13 1.57 -0.78 -1.42 116.57 117.03 2i8n h LYS 11 Ca 0.15 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2i8n h LYS 11 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2i8n h LYS 11 CO -0.01 0.00 0.46 0.93 -0.57 0.00 0.00 179.45 180.26 2i8n h GLU 12 N 0.00 0.80 -0.74 3.15 5.08 -1.37 0.56 114.58 122.06 2i8n h GLU 12 Ca 0.06 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2i8n h GLU 12 Cb 0.28 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2i8n h GLU 12 CO -0.00 0.53 0.49 0.52 -1.00 0.00 0.00 179.01 179.55 2i8n h MET 13 N 0.83 0.94 -0.15 2.33 2.86 -1.40 -1.15 114.93 119.19 2i8n h MET 13 Ca 0.28 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2i8n h MET 13 Cb 0.08 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.53 2i8n h MET 13 CO -0.08 0.62 0.00 1.19 1.06 0.00 0.00 176.91 179.70 2i8n n PHE 14 N -4.43 0.17 -0.62 -0.22 3.01 -0.48 -1.20 117.46 113.70 2i8n n PHE 14 Ca 0.09 -0.09 0.06 0.00 1.01 0.00 0.00 57.45 58.51 2i8n n PHE 14 Cb 0.06 -0.00 0.35 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 1.29 3.65 -2.10 4.37 0.00 0.18 -4.89 120.51 123.00 2i8n n ALA 15 Ca 0.15 -1.64 -0.12 0.00 0.00 0.00 0.00 53.44 51.83 2i8n n ALA 15 Cb 0.56 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 0.58 -0.94 -0.02 0.00 4.76 -1.23 -4.89 118.16 116.43 2i8n n LYS 16 Ca 0.24 0.63 -0.02 0.00 -2.87 0.00 0.00 58.31 56.29 2i8n n LYS 16 Cb 1.05 -4.77 -0.03 0.00 -1.84 0.00 0.00 35.03 29.44 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 -2.22 2.95 -1.39 1.97 5.02 -0.71 -4.80 118.16 118.98 2i8n n LYS 17 Ca -0.14 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.17 2i8n n LYS 17 Cb 0.58 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 -2.21 0.00 0.09 2.13 -0.00 -0.52 -4.89 115.22 109.83 2i8n n HIS 18 Ca -0.07 -0.50 -0.17 0.00 0.46 0.00 0.00 57.72 57.44 2i8n n HIS 18 Cb 0.62 -0.02 -0.11 0.00 -0.12 0.00 0.00 29.99 30.37 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 0.79 0.15 -0.06 1.57 0.00 -1.34 -1.64 119.26 118.74 2i8n h ALA 19 Ca -0.30 -0.80 -0.11 0.00 0.00 0.00 0.00 54.91 53.71 2i8n h ALA 19 Cb 1.80 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2i8n h ALA 19 CO 0.02 0.84 -0.45 0.00 0.00 0.00 0.00 179.25 179.66 2i8n h ALA 20 N 0.54 1.14 0.00 0.00 0.00 -1.90 0.39 119.26 119.43 2i8n h ALA 20 Ca -0.14 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.09 2i8n h ALA 20 Cb 1.84 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 2i8n h ALA 20 CO 0.20 0.60 -1.42 1.88 0.00 0.00 0.00 179.25 180.51 2i8n h TYR 21 N 0.11 0.00 -0.24 0.00 0.05 -1.93 -3.36 116.97 111.60 2i8n h TYR 21 Ca 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 2i8n h TYR 21 Cb 0.84 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.55 2i8n h TYR 21 CO 0.01 0.98 -0.04 0.00 -1.05 0.00 0.00 178.16 178.06 2i8n n ALA 22 N -2.47 3.31 0.19 3.88 0.00 -0.62 -4.72 120.51 120.09 2i8n n ALA 22 Ca -0.10 -2.65 -0.15 0.00 0.00 0.00 0.00 53.44 50.55 2i8n n ALA 22 Cb 1.00 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 2i8n n ALA 22 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2i8n h TRP 23 N 1.24 -0.43 0.00 0.00 2.91 -0.37 -3.01 115.95 116.29 2i8n h TRP 23 Ca 0.07 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2i8n h TRP 23 Cb 1.44 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 30.23 2i8n h TRP 23 CO 0.59 -0.18 -0.33 -1.00 -1.03 0.00 0.00 178.44 176.49 2i8n h PRO 24 N -0.60 0.00 -0.93 2.65 0.13 -1.85 -3.33 132.00 128.07 2i8n h PRO 24 Ca -0.05 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.54 2i8n h PRO 24 Cb 0.44 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.28 2i8n h PRO 24 CO 0.08 0.00 0.62 1.19 -0.23 0.00 0.00 178.00 179.65 2i8n n PHE 25 N -2.47 2.94 -0.09 1.56 3.01 -1.21 -4.42 117.46 116.79 2i8n n PHE 25 Ca 0.04 -2.22 -0.16 0.00 1.01 0.00 0.00 57.45 56.11 2i8n n PHE 25 Cb 0.47 -1.05 -0.07 0.00 -0.01 0.00 0.00 39.48 38.82 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 -1.06 0.00 -2.43 1.38 9.36 -1.14 -4.76 117.16 118.51 2i8n n TYR 26 Ca 0.58 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.52 2i8n n TYR 26 Cb 1.27 -0.64 0.01 0.00 -0.63 0.00 0.00 39.34 39.35 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 -2.33 3.39 0.95 2.98 1.02 -1.26 -3.54 119.74 120.95 2i8n s LYS 27 Ca -0.24 0.25 -0.12 0.00 0.02 0.00 0.00 55.97 55.89 2i8n s LYS 27 Cb 0.08 -2.29 0.16 0.00 -0.52 0.00 0.00 37.83 35.26 2i8n s LYS 27 CO 0.34 -0.40 1.09 -1.25 -0.92 0.00 0.00 175.35 174.21 2i8n s PRO 28 N -4.89 0.83 -1.14 -1.68 0.04 -1.26 -4.84 135.00 122.06 2i8n s PRO 28 Ca 0.50 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 2i8n s PRO 28 Cb -0.10 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2i8n s PRO 28 CO 0.47 -2.52 1.34 0.14 0.04 0.00 0.00 177.00 176.47 2i8n s VAL 29 N -2.89 5.04 -0.36 -0.36 -7.23 -1.26 -4.98 120.40 108.35 2i8n s VAL 29 Ca 0.64 -2.46 -0.27 0.00 -1.81 0.00 0.00 61.98 58.08 2i8n s VAL 29 Cb -0.19 -4.86 -0.06 0.00 0.56 0.00 0.00 36.38 31.83 2i8n s VAL 29 CO 0.58 -1.56 2.32 0.47 -0.31 0.00 0.00 175.10 176.60 2i8n n ASP 30 N 5.63 2.77 -0.33 4.85 8.00 -1.26 -4.84 116.55 131.36 2i8n n ASP 30 Ca 0.33 -0.15 -0.04 0.00 0.71 0.00 0.00 54.79 55.64 2i8n n ASP 30 Cb 0.44 -1.57 0.09 0.00 -0.02 0.00 0.00 41.12 40.06 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 7.44 1.25 -0.12 2.53 3.04 -1.94 0.44 116.25 128.90 2i8n h VAL 31 Ca -0.32 -0.61 -0.10 0.00 -1.01 0.00 0.00 66.70 64.66 2i8n h VAL 31 Cb 1.26 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2i8n h VAL 31 CO 1.06 0.28 -0.32 -0.33 -1.01 0.00 0.00 177.57 177.25 2i8n h GLU 32 N 1.24 0.42 -0.05 4.17 5.08 -1.93 0.28 114.58 123.80 2i8n h GLU 32 Ca 0.32 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2i8n h GLU 32 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2i8n h GLU 32 CO -0.05 0.92 -0.09 0.00 -1.00 0.00 0.00 179.01 178.79 2i8n h ALA 33 N 0.51 0.07 0.00 3.43 0.00 -1.93 -3.28 119.26 118.06 2i8n h ALA 33 Ca -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2i8n h ALA 33 Cb 0.94 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2i8n h ALA 33 CO 0.07 -0.08 -0.25 -0.07 0.00 0.00 0.00 179.25 178.93 2i8n h LEU 34 N -0.37 0.00 -2.03 0.00 3.38 -0.24 -3.48 115.31 112.57 2i8n h LEU 34 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2i8n h LEU 34 Cb 0.66 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.49 2i8n h LEU 34 CO 0.02 0.17 -0.38 0.61 0.09 0.00 0.00 178.44 178.95 2i8n n GLY 35 N 1.15 0.02 2.54 0.83 0.00 0.92 -5.02 105.19 105.63 2i8n n GLY 35 Ca 0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.48 1.90 0.04 0.99 -0.00 -0.87 -4.91 117.00 111.66 2i8n n LEU 36 Ca -0.12 -4.99 0.09 0.00 -0.00 0.00 0.00 56.01 51.00 2i8n n LEU 36 Cb 0.58 -0.19 0.39 0.00 -0.00 0.00 0.00 43.42 44.20 2i8n n LEU 36 CO 0.29 1.91 0.79 1.57 -0.00 0.00 0.00 177.39 181.96 2i8n n HIS 37 N 1.78 0.26 0.39 1.47 -0.00 -1.26 -2.44 115.22 115.42 2i8n n HIS 37 Ca 0.25 0.10 0.13 0.00 0.46 0.00 0.00 57.72 58.66 2i8n n HIS 37 Cb 0.43 -0.66 0.40 0.00 -0.12 0.00 0.00 29.99 30.04 2i8n n HIS 37 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2i8n h ASP 38 N 0.00 0.00 -0.98 0.26 3.58 -1.98 -3.25 116.42 114.05 2i8n h ASP 38 Ca 0.00 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.55 2i8n h ASP 38 Cb 0.32 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.30 2i8n h ASP 38 CO 0.00 0.00 0.63 0.22 -2.88 0.00 0.00 179.24 177.21 2i8n h TYR 39 N 0.00 1.12 -0.39 0.28 3.20 -1.86 0.34 116.97 119.66 2i8n h TYR 39 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 2i8n h TYR 39 Cb 0.71 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2i8n h TYR 39 CO 0.00 0.51 -0.12 0.00 -1.64 0.00 0.00 178.16 176.90 2i8n h ASP 41 N 0.64 0.47 0.07 0.00 5.19 -1.31 -3.37 116.42 118.10 2i8n h ASP 41 Ca 0.11 -0.71 -0.00 0.00 -0.62 0.00 0.00 57.03 55.80 2i8n h ASP 41 Cb 0.58 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2i8n h ASP 41 CO 0.04 1.11 -0.03 0.40 -3.12 0.00 0.00 179.24 177.64 2i8n h ILE 42 N -0.14 1.14 -3.18 0.35 2.04 -0.35 -3.42 117.51 113.94 2i8n h ILE 42 Ca -0.05 -1.50 -0.67 0.00 1.00 0.00 0.00 64.86 63.65 2i8n h ILE 42 Cb 1.15 2.00 -0.17 0.00 -0.74 0.00 0.00 36.82 39.07 2i8n h ILE 42 CO 0.09 0.33 0.19 -0.63 0.00 0.00 0.00 178.15 178.14 2i8n s ILE 43 N -2.97 4.73 0.21 -0.67 -1.09 0.19 -4.91 121.20 116.70 2i8n s ILE 43 Ca -0.14 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2i8n s ILE 43 Cb -0.01 -4.39 -0.06 0.00 -1.58 0.00 0.00 42.46 36.43 2i8n s ILE 43 CO 0.52 -0.93 1.52 0.07 -1.23 0.00 0.00 174.94 174.89 2i8n h LYS 44 N 9.11 0.36 -3.75 2.79 2.10 -1.80 -3.39 116.57 121.98 2i8n h LYS 44 Ca -0.27 -0.25 -0.68 0.00 -2.00 0.00 0.00 60.65 57.44 2i8n h LYS 44 Cb 1.09 0.04 -0.36 0.00 -0.90 0.00 0.00 32.23 32.09 2i8n h LYS 44 CO 1.01 0.86 -0.46 -1.58 -2.00 0.00 0.00 179.45 177.28 2i8n s HIS 45 N -3.79 3.41 0.10 0.07 2.46 -1.26 -5.08 115.29 111.20 2i8n s HIS 45 Ca -0.05 -2.77 -0.31 0.00 0.47 0.00 0.00 55.06 52.40 2i8n s HIS 45 Cb 0.11 -3.12 -0.08 0.00 -0.13 0.00 0.00 32.58 29.36 2i8n s HIS 45 CO 0.82 -0.85 1.48 -1.25 -2.47 0.00 0.00 174.74 172.47 2i8n s PRO 46 N 0.13 4.27 -0.24 2.88 0.04 -1.26 -4.97 135.00 135.84 2i8n s PRO 46 Ca 0.15 2.18 -0.22 0.00 0.04 0.00 0.00 61.00 63.15 2i8n s PRO 46 Cb -0.22 -3.34 0.06 0.00 0.04 0.00 0.00 34.50 31.05 2i8n s PRO 46 CO -0.03 -0.55 0.64 -1.64 0.04 0.00 0.00 177.00 175.46 2i8n s MET 47 N 1.58 0.75 0.14 4.56 -1.94 -1.26 -5.13 119.30 118.00 2i8n s MET 47 Ca 0.68 0.89 -0.06 0.00 -1.71 0.00 0.00 55.69 55.48 2i8n s MET 47 Cb -0.38 0.37 -0.02 0.00 2.01 0.00 0.00 34.83 36.81 2i8n s MET 47 CO 0.30 -0.09 0.19 -0.51 -0.01 0.00 0.00 175.02 174.90 2i8n s ASP 48 N 0.34 0.15 0.35 3.03 1.01 -1.26 -4.93 116.67 115.37 2i8n s ASP 48 Ca -0.00 -0.92 0.05 0.00 0.71 0.00 0.00 52.55 52.38 2i8n s ASP 48 Cb -0.04 0.37 0.70 0.00 1.01 0.00 0.00 42.92 44.96 2i8n s ASP 48 CO 0.01 -0.81 1.97 0.24 0.21 0.00 0.00 175.17 176.79 2i8n h MET 49 N 2.70 0.78 -0.42 8.23 2.86 -1.86 -0.65 114.93 126.57 2i8n h MET 49 Ca -0.33 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 2i8n h MET 49 Cb 1.21 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 2i8n h MET 49 CO 0.53 0.51 0.18 1.03 1.06 0.00 0.00 176.91 180.22 2i8n h SER 50 N 0.80 0.53 0.20 1.22 0.87 -1.89 -0.96 113.55 114.31 2i8n h SER 50 Ca 0.30 -0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.60 2i8n h SER 50 Cb 0.18 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2i8n h SER 50 CO -0.10 0.48 -0.83 0.74 -0.53 0.00 0.00 176.83 176.59 2i8n h THR 51 N 0.59 1.36 -0.25 2.23 2.02 -1.51 -2.64 112.91 114.71 2i8n h THR 51 Ca 0.15 -2.22 -0.08 0.00 0.77 0.00 0.00 66.41 65.03 2i8n h THR 51 Cb 0.11 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2i8n h THR 51 CO -0.02 0.67 -0.14 0.40 0.37 0.00 0.00 175.52 176.81 2i8n h ILE 52 N 0.32 1.30 -0.39 3.11 2.04 -0.89 -2.70 117.51 120.29 2i8n h ILE 52 Ca -0.06 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 2i8n h ILE 52 Cb 1.44 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 2i8n h ILE 52 CO 0.15 0.39 0.18 0.50 0.00 0.00 0.00 178.15 179.37 2i8n h LYS 53 N 0.25 0.57 -0.94 2.37 3.64 -1.25 -2.60 116.57 118.61 2i8n h LYS 53 Ca 0.05 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2i8n h LYS 53 Cb 0.66 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 2i8n h LYS 53 CO 0.04 0.51 0.61 0.66 -2.27 0.00 0.00 179.45 179.00 2i8n h SER 54 N 0.49 0.97 -0.13 4.20 4.64 -1.48 0.26 113.55 122.50 2i8n h SER 54 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2i8n h SER 54 Cb 0.14 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2i8n h SER 54 CO -0.02 0.63 0.08 0.50 -0.87 0.00 0.00 176.83 177.15 2i8n h LYS 55 N 1.10 0.18 -0.38 4.77 3.64 -1.18 -0.48 116.57 124.22 2i8n h LYS 55 Ca 0.40 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.70 2i8n h LYS 55 Cb 0.16 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2i8n h LYS 55 CO -0.15 0.13 -0.05 1.25 -2.27 0.00 0.00 179.45 178.37 2i8n h LEU 56 N 0.16 0.60 -1.03 5.20 5.85 -1.00 0.74 115.31 125.83 2i8n h LEU 56 Ca 0.05 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2i8n h LEU 56 Cb -0.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2i8n h LEU 56 CO -0.01 0.70 0.18 -0.33 -0.34 0.00 0.00 178.44 178.64 2i8n h GLU 57 N 0.58 0.88 -0.58 1.25 5.08 0.08 -2.18 114.58 119.69 2i8n h GLU 57 Ca 0.11 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2i8n h GLU 57 Cb 0.44 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2i8n h GLU 57 CO 0.02 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 2i8n n ALA 58 N -2.46 2.77 -2.18 3.43 0.00 -0.24 -4.88 120.51 116.96 2i8n n ALA 58 Ca 0.05 -0.66 -0.20 0.00 0.00 0.00 0.00 53.44 52.63 2i8n n ALA 58 Cb 0.20 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 0.31 -1.56 0.09 0.00 0.63 -0.82 -4.88 116.66 110.44 2i8n n ARG 59 Ca 0.11 1.04 -0.15 0.00 -0.92 0.00 0.00 57.85 57.93 2i8n n ARG 59 Cb 0.45 -5.59 -0.14 0.00 0.45 0.00 0.00 32.46 27.63 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 0.24 -6.09 -0.14 5.08 -1.06 -3.41 114.58 109.19 2i8n h GLU 60 Ca -0.46 -0.41 -0.52 0.00 -1.00 0.00 0.00 59.36 56.96 2i8n h GLU 60 Cb 1.35 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.67 2i8n h GLU 60 CO 0.58 1.17 1.25 0.71 -1.00 0.00 0.00 179.01 181.72 2i8n s TYR 61 N -2.65 2.27 0.41 4.33 2.02 -1.22 -4.82 117.35 117.68 2i8n s TYR 61 Ca -0.04 -0.25 0.16 0.00 -0.37 0.00 0.00 57.07 56.57 2i8n s TYR 61 Cb 0.07 -4.52 0.98 0.00 -0.40 0.00 0.00 41.96 38.10 2i8n s TYR 61 CO 0.87 -1.97 1.94 0.00 -1.57 0.00 0.00 175.55 174.82 2i8n h ARG 62 N 10.55 0.00 -3.06 -0.62 3.08 -1.96 -3.47 114.38 118.91 2i8n h ARG 62 Ca 0.02 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2i8n h ARG 62 Cb 1.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 2i8n h ARG 62 CO 1.34 0.24 0.22 -0.51 -1.07 0.00 0.00 179.97 180.19 2i8n s ASP 63 N -6.80 -0.10 0.02 7.04 1.01 -1.26 -4.83 116.67 111.75 2i8n s ASP 63 Ca -0.03 -0.88 0.17 0.00 0.71 0.00 0.00 52.55 52.51 2i8n s ASP 63 Cb 0.15 0.78 0.73 0.00 1.01 0.00 0.00 42.92 45.58 2i8n s ASP 63 CO 0.68 -1.49 1.55 0.00 0.21 0.00 0.00 175.17 176.12 2i8n n ALA 64 N -0.49 1.76 -0.05 5.23 0.00 -1.26 -3.27 120.51 122.43 2i8n n ALA 64 Ca -0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 2i8n n ALA 64 Cb 0.60 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 2i8n n ALA 64 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2i8n h GLN 65 N 0.00 0.29 -0.17 0.00 1.08 -1.97 0.45 115.11 114.78 2i8n h GLN 65 Ca 0.00 -0.05 -0.21 0.00 -1.45 0.00 0.00 58.65 56.94 2i8n h GLN 65 Cb 0.30 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2i8n h GLN 65 CO 0.00 0.34 -0.72 0.93 -0.95 0.00 0.00 178.83 178.43 2i8n h GLU 66 N 0.16 0.76 0.27 1.46 3.07 -1.99 -2.74 114.58 115.58 2i8n h GLU 66 Ca 0.06 -0.59 -0.00 0.00 -0.50 0.00 0.00 59.36 58.33 2i8n h GLU 66 Cb 0.16 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2i8n h GLU 66 CO -0.01 1.20 -0.20 0.35 -1.40 0.00 0.00 179.01 178.96 2i8n h PHE 67 N 0.53 -0.52 -0.62 4.33 3.04 -1.56 -1.66 116.94 120.49 2i8n h PHE 67 Ca -0.04 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2i8n h PHE 67 Cb 1.34 0.19 -0.03 0.00 2.56 0.00 0.00 35.95 40.01 2i8n h PHE 67 CO 0.08 -0.30 0.39 0.78 -2.02 0.00 0.00 178.31 177.24 2i8n h GLY 68 N -0.47 0.88 1.04 2.40 0.00 -0.98 -1.46 103.07 104.48 2i8n h GLY 68 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2i8n h GLY 68 CO -0.00 0.33 0.38 0.00 0.00 0.00 0.00 176.54 177.25 2i8n h ALA 69 N 1.59 1.06 -0.18 3.60 0.00 -1.14 -1.65 119.26 122.54 2i8n h ALA 69 Ca 0.22 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2i8n h ALA 69 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 2i8n h ALA 69 CO -0.05 0.64 -0.62 -0.44 0.00 0.00 0.00 179.25 178.79 2i8n h ASP 70 N 1.17 0.71 -0.12 0.00 5.19 -0.72 -2.55 116.42 120.11 2i8n h ASP 70 Ca 0.28 -0.41 -0.01 0.00 -0.62 0.00 0.00 57.03 56.27 2i8n h ASP 70 Cb 0.14 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2i8n h ASP 70 CO -0.03 1.15 0.03 0.58 -3.12 0.00 0.00 179.24 177.85 2i8n h VAL 71 N 0.46 1.18 -0.20 -1.35 2.07 -1.01 -1.80 116.25 115.60 2i8n h VAL 71 Ca -0.01 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2i8n h VAL 71 Cb 1.19 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2i8n h VAL 71 CO 0.12 0.16 -0.12 0.08 0.02 0.00 0.00 177.57 177.83 2i8n h ARG 72 N -0.00 0.33 -0.18 1.57 0.11 -1.36 -2.54 114.38 112.32 2i8n h ARG 72 Ca 0.04 -0.08 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 2i8n h ARG 72 Cb 0.22 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 2i8n h ARG 72 CO -0.00 0.46 -0.00 1.25 0.10 0.00 0.00 179.97 181.78 2i8n h LEU 73 N 0.31 0.31 -0.59 0.08 5.85 -1.26 -2.70 115.31 117.30 2i8n h LEU 73 Ca 0.06 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2i8n h LEU 73 Cb 0.41 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2i8n h LEU 73 CO 0.02 0.54 0.37 -0.03 -0.34 0.00 0.00 178.44 179.01 2i8n h MET 74 N 0.06 0.73 -0.80 1.25 4.05 -1.14 -2.47 114.93 116.61 2i8n h MET 74 Ca 0.05 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2i8n h MET 74 Cb 0.39 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 2i8n h MET 74 CO 0.01 0.48 0.50 0.74 0.23 0.00 0.00 176.91 178.87 2i8n h PHE 75 N 0.75 0.94 -0.48 1.39 0.04 -1.42 0.40 116.94 118.56 2i8n h PHE 75 Ca 0.23 0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.04 2i8n h PHE 75 Cb -0.03 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 2i8n h PHE 75 CO -0.05 0.51 0.29 1.03 -0.60 0.00 0.00 178.31 179.50 2i8n h SER 76 N 0.95 0.48 0.49 2.17 0.87 -1.11 -2.10 113.55 115.30 2i8n h SER 76 Ca 0.33 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.71 2i8n h SER 76 Cb 0.08 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2i8n h SER 76 CO -0.14 0.34 -0.79 0.78 -0.53 0.00 0.00 176.83 176.49 2i8n h ASN 77 N 0.59 0.29 -0.95 6.23 4.21 -1.09 -3.21 115.58 121.66 2i8n h ASN 77 Ca 0.19 -0.21 0.04 0.00 1.21 0.00 0.00 56.30 57.53 2i8n h ASN 77 Cb -0.00 -0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 37.05 2i8n h ASN 77 CO -0.08 0.97 0.62 0.00 -1.29 0.00 0.00 177.43 177.65 2i8n h TYR 79 N 1.18 0.26 -0.33 0.00 5.03 -1.39 0.14 116.97 121.87 2i8n h TYR 79 Ca 0.38 -0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.55 2i8n h TYR 79 Cb 0.04 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 2i8n h TYR 79 CO -0.00 0.39 -0.26 -0.22 -1.32 0.00 0.00 178.16 176.75 2i8n h LYS 80 N 0.24 0.66 0.19 1.82 3.64 -1.32 -3.19 116.57 118.61 2i8n h LYS 80 Ca 0.05 -0.27 -0.32 0.00 -1.27 0.00 0.00 60.65 58.83 2i8n h LYS 80 Cb 0.40 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2i8n h LYS 80 CO 0.02 0.85 -1.53 -0.92 -2.27 0.00 0.00 179.45 175.61 2i8n h TYR 81 N 0.57 0.72 -2.31 1.91 3.20 -1.13 -3.45 116.97 116.48 2i8n h TYR 81 Ca 0.08 -0.52 -0.58 0.00 3.14 0.00 0.00 58.73 60.84 2i8n h TYR 81 Cb 0.74 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2i8n h TYR 81 CO 0.03 1.51 1.37 -0.80 -1.64 0.00 0.00 178.16 178.63 2i8n s ASN 82 N -7.30 5.75 0.50 -2.11 -0.87 0.46 -4.96 114.94 106.40 2i8n s ASN 82 Ca -0.10 1.73 -0.23 0.00 -1.57 0.00 0.00 52.86 52.69 2i8n s ASN 82 Cb 0.06 -2.52 -0.06 0.00 -0.02 0.00 0.00 41.25 38.70 2i8n s ASN 82 CO 0.89 -1.75 1.28 -2.84 -2.57 0.00 0.00 177.10 172.11 2i8n s PRO 83 N 5.85 3.47 0.27 -0.60 0.02 -1.26 -4.89 135.00 137.86 2i8n s PRO 83 Ca 0.90 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 63.68 2i8n s PRO 83 Cb -0.29 -2.37 -0.13 0.00 0.02 0.00 0.00 34.50 31.72 2i8n s PRO 83 CO 0.35 -0.87 1.43 -2.30 -0.33 0.00 0.00 177.00 175.28 2i8n n PRO 84 N -0.68 2.22 -3.23 5.54 -0.02 -1.26 -3.23 135.00 134.33 2i8n n PRO 84 Ca 0.08 0.79 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 2i8n n PRO 84 Cb 0.46 -2.46 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.85 -6.60 -4.19 2.55 -0.08 -1.26 -5.04 116.55 103.78 2i8n n ASP 85 Ca 0.09 -0.70 -0.18 0.00 -1.51 0.00 0.00 54.79 52.50 2i8n n ASP 85 Cb 0.34 -5.16 -0.12 0.00 2.34 0.00 0.00 41.12 38.52 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 -3.38 1.24 0.20 -0.67 2.46 -1.20 -5.05 115.29 108.89 2i8n s HIS 86 Ca 0.45 -0.51 -0.10 0.00 0.47 0.00 0.00 55.06 55.37 2i8n s HIS 86 Cb -0.06 -0.68 0.19 0.00 -0.13 0.00 0.00 32.58 31.90 2i8n s HIS 86 CO 0.73 0.07 1.83 1.49 -2.47 0.00 0.00 174.74 176.39 2i8n h GLU 87 N 3.99 0.72 -0.18 2.88 4.81 -1.96 -1.82 114.58 123.01 2i8n h GLU 87 Ca -0.40 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2i8n h GLU 87 Cb 1.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2i8n h GLU 87 CO 0.45 0.48 -0.01 -0.39 -0.73 0.00 0.00 179.01 178.80 2i8n h VAL 88 N 0.74 1.13 -0.39 0.32 -1.51 -1.96 -2.65 116.25 111.93 2i8n h VAL 88 Ca 0.27 -0.50 -0.02 0.00 -1.23 0.00 0.00 66.70 65.23 2i8n h VAL 88 Cb 0.08 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.23 2i8n h VAL 88 CO -0.13 0.17 0.17 0.58 -1.23 0.00 0.00 177.57 177.12 2i8n h VAL 89 N 0.26 1.18 -0.89 7.19 2.07 -1.64 -0.49 116.25 123.93 2i8n h VAL 89 Ca 0.06 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2i8n h VAL 89 Cb 0.20 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2i8n h VAL 89 CO 0.01 0.20 0.58 0.00 0.02 0.00 0.00 177.57 178.37 2i8n h ALA 90 N 1.02 1.17 -0.43 1.67 0.00 -1.28 -1.89 119.26 119.53 2i8n h ALA 90 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2i8n h ALA 90 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2i8n h ALA 90 CO -0.01 0.45 0.03 0.52 0.00 0.00 0.00 179.25 180.24 2i8n h MET 91 N 1.14 0.73 -0.36 0.00 2.86 -1.29 -1.94 114.93 116.07 2i8n h MET 91 Ca 0.35 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2i8n h MET 91 Cb -0.02 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 2i8n h MET 91 CO -0.11 0.79 0.11 0.00 1.06 0.00 0.00 176.91 178.76 2i8n h ALA 92 N 0.92 0.41 -0.09 6.32 0.00 -0.53 0.57 119.26 126.86 2i8n h ALA 92 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2i8n h ALA 92 Cb 0.44 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2i8n h ALA 92 CO 0.02 -0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.02 2i8n h ARG 93 N 0.26 0.13 -0.72 0.00 3.08 -1.29 -0.39 114.38 115.44 2i8n h ARG 93 Ca 0.17 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2i8n h ARG 93 Cb 0.15 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2i8n h ARG 93 CO -0.18 0.24 0.34 -0.22 -1.07 0.00 0.00 179.97 179.08 2i8n h LYS 94 N -0.01 1.05 -0.48 0.04 3.64 -1.05 -0.92 116.57 118.84 2i8n h LYS 94 Ca 0.03 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 2i8n h LYS 94 Cb 0.16 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2i8n h LYS 94 CO -0.00 0.82 0.11 -0.07 -2.27 0.00 0.00 179.45 178.04 2i8n h LEU 95 N 1.01 0.67 -0.21 5.20 3.38 0.31 -1.46 115.31 124.21 2i8n h LEU 95 Ca 0.25 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2i8n h LEU 95 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2i8n h LEU 95 CO -0.03 0.67 -0.24 -0.61 0.09 0.00 0.00 178.44 178.32 2i8n h GLN 96 N 0.71 0.54 -0.30 1.13 4.15 -0.58 -1.72 115.11 119.04 2i8n h GLN 96 Ca 0.16 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 2i8n h GLN 96 Cb 0.27 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2i8n h GLN 96 CO -0.00 0.88 0.17 0.22 -1.93 0.00 0.00 178.83 178.17 2i8n h ASP 97 N 0.22 0.36 -0.51 -0.69 1.82 -0.94 0.18 116.42 116.86 2i8n h ASP 97 Ca 0.03 -0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.55 2i8n h ASP 97 Cb 0.80 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.69 2i8n h ASP 97 CO 0.06 0.32 0.11 1.62 -1.61 0.00 0.00 179.24 179.75 2i8n h VAL 98 N 0.37 1.24 0.10 2.25 3.04 -1.31 0.05 116.25 122.00 2i8n h VAL 98 Ca 0.11 -0.88 -0.01 0.00 -1.01 0.00 0.00 66.70 64.92 2i8n h VAL 98 Cb 0.03 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2i8n h VAL 98 CO -0.02 0.32 -0.05 -0.26 -1.01 0.00 0.00 177.57 176.55 2i8n h PHE 99 N 0.72 -0.13 -0.42 3.17 0.04 -1.12 -0.72 116.94 118.48 2i8n h PHE 99 Ca 0.16 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.95 2i8n h PHE 99 Cb 0.35 0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 2i8n h PHE 99 CO 0.02 0.13 0.24 1.49 -0.60 0.00 0.00 178.31 179.59 2i8n h GLU 100 N -0.38 0.47 -0.37 1.51 4.22 -0.61 0.42 114.58 119.84 2i8n h GLU 100 Ca -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2i8n h GLU 100 Cb 0.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2i8n h GLU 100 CO 0.02 0.31 0.24 0.52 -2.18 0.00 0.00 179.01 177.92 2i8n h MET 101 N 0.48 0.49 -0.34 1.92 2.86 -0.95 0.53 114.93 119.93 2i8n h MET 101 Ca 0.17 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2i8n h MET 101 Cb 0.03 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2i8n h MET 101 CO -0.09 0.34 -0.06 0.00 1.06 0.00 0.00 176.91 178.16 2i8n h ARG 102 N 0.50 0.63 -0.75 1.72 2.47 -0.79 -2.21 114.38 115.95 2i8n h ARG 102 Ca 0.14 -0.23 0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2i8n h ARG 102 Cb -0.04 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 2i8n h ARG 102 CO -0.03 0.79 0.49 0.74 0.56 0.00 0.00 179.97 182.53 2i8n h PHE 103 N 0.42 0.96 -0.19 3.04 -1.00 0.04 -1.25 116.94 118.97 2i8n h PHE 103 Ca 0.09 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.82 2i8n h PHE 103 Cb 0.54 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2i8n h PHE 103 CO 0.05 0.61 -0.18 0.00 -1.61 0.00 0.00 178.31 177.17 2i8n h ALA 104 N 1.27 1.35 -0.16 2.45 0.00 -0.81 -0.96 119.26 122.40 2i8n h ALA 104 Ca 0.28 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2i8n h ALA 104 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2i8n h ALA 104 CO -0.06 0.44 -0.33 -0.22 0.00 0.00 0.00 179.25 179.08 2i8n h LYS 105 N 0.29 0.51 -0.25 0.00 3.64 -0.74 0.46 116.57 120.49 2i8n h LYS 105 Ca 0.05 -0.34 -0.13 0.00 -1.27 0.00 0.00 60.65 58.97 2i8n h LYS 105 Cb 0.49 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2i8n h LYS 105 CO 0.03 0.94 -0.38 0.00 -2.27 0.00 0.00 179.45 177.77 2i8n h MET 106 N 0.15 0.59 0.20 1.90 -0.00 -1.12 -3.23 114.93 113.42 2i8n h MET 106 Ca 0.00 -0.29 -0.30 0.00 -0.00 0.00 0.00 59.70 59.12 2i8n h MET 106 Cb 0.93 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 32.56 2i8n h MET 106 CO 0.07 0.88 -1.35 -0.07 -0.00 0.00 0.00 176.91 176.44 2i8n h LEU 107 N 0.49 0.67 -1.01 -0.10 4.07 -1.20 -3.52 115.31 114.70 2i8n h LEU 107 Ca 0.05 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.08 2i8n h LEU 107 Cb 0.88 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2i8n h LEU 107 CO 0.08 1.64 0.00 0.00 -1.08 0.00 0.00 178.44 179.07