#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4a h GLN 2 N 0.00 0.09 -0.96 3.49 1.08 -2.01 -3.16 115.11 113.64 2g4a h GLN 2 Ca 0.00 -0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2g4a h GLN 2 Cb 0.00 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.38 2g4a h GLN 2 CO 0.00 0.71 0.62 1.25 -0.95 0.00 0.00 178.83 180.46 2g4a h LEU 3 N 0.06 0.94 -0.77 1.46 5.85 -1.97 -1.63 115.31 119.25 2g4a h LEU 3 Ca -0.01 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2g4a h LEU 3 Cb 1.17 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2g4a h LEU 3 CO 0.09 0.58 0.50 0.50 -0.34 0.00 0.00 178.44 179.77 2g4a h LYS 4 N 1.05 1.01 -0.39 1.25 3.64 -2.00 -1.77 116.57 119.37 2g4a h LYS 4 Ca 0.43 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 2g4a h LYS 4 Cb 0.28 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2g4a h LYS 4 CO -0.18 0.68 0.08 1.25 -2.27 0.00 0.00 179.45 179.00 2g4a h HIS 5 N 1.04 0.67 -0.83 1.91 2.76 -1.44 -2.86 115.15 116.40 2g4a h HIS 5 Ca 0.28 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 2g4a h HIS 5 Cb -0.11 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.62 2g4a h HIS 5 CO -0.02 0.66 0.55 0.00 -1.30 0.00 0.00 177.93 177.82 2g4a h ASN 7 N 0.99 0.68 -0.59 0.00 2.35 -1.10 -1.92 115.58 116.00 2g4a h ASN 7 Ca 0.34 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 2g4a h ASN 7 Cb 0.11 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2g4a h ASN 7 CO -0.11 0.46 0.17 0.58 -1.65 0.00 0.00 177.43 176.89 2g4a h VAL 8 N 0.82 1.24 -0.67 2.81 2.07 -1.32 -2.61 116.25 118.59 2g4a h VAL 8 Ca 0.29 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2g4a h VAL 8 Cb 0.08 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2g4a h VAL 8 CO -0.13 0.32 0.35 0.40 0.02 0.00 0.00 177.57 178.53 2g4a h ILE 9 N 0.92 1.21 -0.92 4.57 2.04 -1.04 -2.37 117.51 121.91 2g4a h ILE 9 Ca 0.20 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2g4a h ILE 9 Cb 0.29 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2g4a h ILE 9 CO -0.00 0.24 0.60 0.25 0.00 0.00 0.00 178.15 179.24 2g4a h LEU 10 N 0.94 1.02 -1.26 1.44 5.85 -1.02 -1.77 115.31 120.50 2g4a h LEU 10 Ca 0.24 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2g4a h LEU 10 Cb 0.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2g4a h LEU 10 CO -0.04 0.71 0.51 0.11 -0.34 0.00 0.00 178.44 179.40 2g4a h LYS 11 N 1.19 0.94 -0.35 1.25 1.79 -1.38 -1.66 116.57 118.35 2g4a h LYS 11 Ca 0.36 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.65 2g4a h LYS 11 Cb -0.05 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.38 2g4a h LYS 11 CO -0.10 0.62 -0.25 1.49 -1.08 0.00 0.00 179.45 180.13 2g4a h GLU 12 N 0.97 0.78 -0.72 3.15 4.57 -1.26 0.44 114.58 122.52 2g4a h GLU 12 Ca 0.31 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2g4a h GLU 12 Cb 0.03 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2g4a h GLU 12 CO -0.09 1.00 0.34 -0.07 -1.18 0.00 0.00 179.01 179.02 2g4a h LEU 13 N 0.57 0.93 -1.75 1.64 3.38 -0.85 -2.48 115.31 116.74 2g4a h LEU 13 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2g4a h LEU 13 Cb 0.81 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2g4a h LEU 13 CO 0.07 0.78 0.00 -0.11 0.09 0.00 0.00 178.44 179.27 2g4a n LEU 14 N -4.33 2.71 0.00 1.67 7.94 -0.68 -2.06 117.00 122.26 2g4a n LEU 14 Ca 0.07 -0.93 0.00 0.00 -1.11 0.00 0.00 56.01 54.04 2g4a n LEU 14 Cb 0.14 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2g4a n LEU 14 CO 0.39 0.47 0.42 -0.24 -1.11 0.00 0.00 177.39 177.32 2g4a n SER 15 N 1.11 0.00 0.00 1.96 2.88 0.16 -4.82 113.62 114.91 2g4a n SER 15 Ca 0.15 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2g4a n SER 15 Cb 0.55 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2g4a n SER 15 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2g4a n LYS 16 N -1.71 0.00 -0.14 -1.46 -0.00 -1.26 -4.86 118.16 108.73 2g4a n LYS 16 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 2g4a n LYS 16 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.07 2g4a n LYS 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2g4a h LYS 17 N 0.00 0.31 -0.10 -1.58 1.63 -1.91 -2.91 116.57 112.01 2g4a h LYS 17 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2g4a h LYS 17 Cb 0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2g4a h LYS 17 CO 0.00 0.21 0.00 0.72 -3.45 0.00 0.00 179.45 176.93 2g4a n HIS 18 N -5.01 0.11 0.23 1.91 8.25 -1.26 -4.52 115.22 114.93 2g4a n HIS 18 Ca 0.04 -0.10 0.07 0.00 -0.26 0.00 0.00 57.72 57.46 2g4a n HIS 18 Cb 0.17 -0.00 0.54 0.00 1.12 0.00 0.00 29.99 31.82 2g4a n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2g4a h ALA 19 N 2.52 1.56 -0.88 -1.41 0.00 -1.20 -2.68 119.26 117.17 2g4a h ALA 19 Ca 0.00 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.92 2g4a h ALA 19 Cb 0.59 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2g4a h ALA 19 CO 0.00 0.24 0.57 0.00 0.00 0.00 0.00 179.25 180.06 2g4a h ALA 20 N 1.81 2.06 -0.01 0.00 0.00 -1.79 0.80 119.26 122.13 2g4a h ALA 20 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2g4a h ALA 20 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2g4a h ALA 20 CO 0.02 -0.32 -0.68 0.66 0.00 0.00 0.00 179.25 178.94 2g4a n TYR 21 N -4.53 0.00 -0.07 0.00 4.02 -1.04 -4.44 117.16 111.11 2g4a n TYR 21 Ca 0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.95 2g4a n TYR 21 Cb 0.60 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.81 2g4a n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2g4a h ALA 22 N 3.53 0.01 -0.66 -0.72 0.00 -0.58 -3.25 119.26 117.61 2g4a h ALA 22 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.50 2g4a h ALA 22 Cb 0.65 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2g4a h ALA 22 CO 0.00 0.05 0.43 0.11 0.00 0.00 0.00 179.25 179.84 2g4a h TRP 23 N -1.00 0.73 -0.24 0.00 5.08 -1.59 0.19 115.95 119.12 2g4a h TRP 23 Ca -0.02 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 2g4a h TRP 23 Cb 0.84 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 26.75 2g4a h TRP 23 CO 0.21 0.42 -0.07 -1.35 -1.28 0.00 0.00 178.44 176.37 2g4a h PRO 24 N 0.75 0.47 -0.02 0.12 0.11 -1.78 -2.91 132.00 128.74 2g4a h PRO 24 Ca 0.27 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2g4a h PRO 24 Cb 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2g4a h PRO 24 CO -0.08 0.70 0.00 1.19 -0.21 0.00 0.00 178.00 179.61 2g4a n PHE 25 N -4.56 0.02 0.06 0.65 3.01 -1.07 -3.86 117.46 111.72 2g4a n PHE 25 Ca -0.04 -0.01 -0.23 0.00 1.01 0.00 0.00 57.45 58.19 2g4a n PHE 25 Cb 0.30 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.63 2g4a n PHE 25 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2g4a h TYR 26 N 1.29 0.67 -3.72 1.38 5.03 -0.43 -3.12 116.97 118.08 2g4a h TYR 26 Ca 0.00 -0.49 -0.52 0.00 2.58 0.00 0.00 58.73 60.30 2g4a h TYR 26 Cb 0.28 -0.03 0.06 0.00 1.55 0.00 0.00 36.73 38.59 2g4a h TYR 26 CO 0.01 1.59 0.68 -1.59 -1.32 0.00 0.00 178.16 177.52 2g4a s LYS 27 N -2.54 4.32 0.40 1.82 -2.85 -1.20 -2.07 119.74 117.63 2g4a s LYS 27 Ca -0.16 2.25 -0.06 0.00 -1.00 0.00 0.00 55.97 56.99 2g4a s LYS 27 Cb 0.04 -3.08 0.09 0.00 -2.06 0.00 0.00 37.83 32.82 2g4a s LYS 27 CO 0.84 -0.27 0.54 -0.35 0.10 0.00 0.00 175.35 176.21 2g4a n PRO 28 N 1.32 -0.49 -3.48 1.78 -0.04 -1.26 -4.87 135.00 127.96 2g4a n PRO 28 Ca 0.02 -0.86 -0.43 0.00 -0.04 0.00 0.00 63.50 62.20 2g4a n PRO 28 Cb 0.41 -0.55 -0.07 0.00 -0.04 0.00 0.00 33.50 33.26 2g4a n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g4a s VAL 29 N -2.14 4.63 -1.14 0.52 1.01 -1.26 -5.00 120.40 117.02 2g4a s VAL 29 Ca 0.31 -1.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.08 2g4a s VAL 29 Cb -0.01 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 2g4a s VAL 29 CO 0.22 -0.85 1.93 0.47 0.00 0.00 0.00 175.10 176.86 2g4a n ASP 30 N 4.65 3.06 0.14 3.32 8.00 -1.26 -4.72 116.55 129.74 2g4a n ASP 30 Ca -0.04 -2.70 0.04 0.00 0.71 0.00 0.00 54.79 52.80 2g4a n ASP 30 Cb 0.41 -1.67 0.47 0.00 -0.02 0.00 0.00 41.12 40.31 2g4a n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g4a h ALA 31 N 9.42 1.68 0.12 2.24 0.00 -1.94 0.20 119.26 130.98 2g4a h ALA 31 Ca 0.25 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 2g4a h ALA 31 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2g4a h ALA 31 CO 1.32 0.24 -1.60 0.77 0.00 0.00 0.00 179.25 179.99 2g4a h SER 32 N 0.21 0.39 0.37 0.00 0.02 -1.89 -2.49 113.55 110.17 2g4a h SER 32 Ca 0.05 -0.86 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 2g4a h SER 32 Cb 0.20 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2g4a h SER 32 CO 0.01 1.70 -0.18 0.00 -1.14 0.00 0.00 176.83 177.21 2g4a h ALA 33 N -0.03 -0.54 -0.20 3.77 0.00 -1.92 -3.36 119.26 116.97 2g4a h ALA 33 Ca -0.34 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2g4a h ALA 33 Cb 1.84 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2g4a h ALA 33 CO 0.06 -0.51 -0.45 -0.07 0.00 0.00 0.00 179.25 178.28 2g4a h LEU 34 N -1.03 0.75 0.00 0.00 3.38 -0.84 -3.48 115.31 114.08 2g4a h LEU 34 Ca -0.05 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2g4a h LEU 34 Cb 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2g4a h LEU 34 CO 0.08 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.40 2g4a n GLY 35 N 0.45 1.94 3.02 0.83 0.00 -0.98 -5.03 105.19 105.42 2g4a n GLY 35 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2g4a n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g4a n LEU 36 N 0.00 6.28 -0.01 0.99 7.99 -0.98 -4.72 117.00 126.55 2g4a n LEU 36 Ca 0.00 -4.51 -0.18 0.00 -0.01 0.00 0.00 56.01 51.32 2g4a n LEU 36 Cb 0.00 -1.55 -0.08 0.00 -0.11 0.00 0.00 43.42 41.68 2g4a n LEU 36 CO 0.00 1.14 0.25 0.45 -1.51 0.00 0.00 177.39 177.72 2g4a h HIS 37 N 6.17 0.99 -0.84 -1.77 3.86 -1.94 -3.21 115.15 118.41 2g4a h HIS 37 Ca 0.40 -0.46 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2g4a h HIS 37 Cb 0.70 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 2g4a h HIS 37 CO 1.25 1.29 0.55 0.22 0.86 0.00 0.00 177.93 182.10 2g4a h ASP 38 N 0.41 0.85 -0.94 2.45 1.82 -1.97 -1.50 116.42 117.54 2g4a h ASP 38 Ca -0.07 -0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.67 2g4a h ASP 38 Cb 1.42 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 41.17 2g4a h ASP 38 CO 0.16 0.56 0.60 0.22 -1.61 0.00 0.00 179.24 179.17 2g4a h TYR 39 N 0.97 1.05 -0.04 0.28 5.03 -1.94 0.12 116.97 122.44 2g4a h TYR 39 Ca 0.35 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.54 2g4a h TYR 39 Cb 0.14 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.07 2g4a h TYR 39 CO -0.00 0.49 -0.63 1.25 -1.32 0.00 0.00 178.16 177.95 2g4a h HIS 40 N 0.98 0.19 -0.04 -3.82 2.76 -1.36 -1.18 115.15 112.67 2g4a h HIS 40 Ca 0.43 -0.08 -0.15 0.00 -2.20 0.00 0.00 60.37 58.38 2g4a h HIS 40 Cb 0.36 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.30 2g4a h HIS 40 CO -0.00 0.74 -0.55 -0.44 -1.30 0.00 0.00 177.93 176.37 2g4a h ASP 41 N 0.11 0.56 0.14 3.26 5.19 -0.81 0.92 116.42 125.78 2g4a h ASP 41 Ca -0.01 -0.71 -0.01 0.00 -0.62 0.00 0.00 57.03 55.69 2g4a h ASP 41 Cb 1.13 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2g4a h ASP 41 CO 0.09 1.19 -0.07 0.40 -3.12 0.00 0.00 179.24 177.73 2g4a h ILE 42 N -0.02 1.01 -0.05 0.35 2.04 -0.85 -3.34 117.51 116.65 2g4a h ILE 42 Ca -0.06 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 2g4a h ILE 42 Cb 1.23 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2g4a h ILE 42 CO 0.11 0.23 -0.07 0.40 0.00 0.00 0.00 178.15 178.82 2g4a h ILE 43 N -0.71 1.40 0.00 -0.67 1.08 -1.35 -3.47 117.51 113.79 2g4a h ILE 43 Ca -0.02 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 2g4a h ILE 43 Cb 0.52 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 2g4a h ILE 43 CO 0.03 0.35 0.00 1.17 -0.69 0.00 0.00 178.15 179.01 2g4a n LYS 44 N -4.72 0.00 -3.19 2.37 3.00 0.32 -4.73 118.16 111.20 2g4a n LYS 44 Ca -0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.01 2g4a n LYS 44 Cb 0.31 -0.06 -0.06 0.00 0.00 0.00 0.00 35.03 35.22 2g4a n LYS 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2g4a n HIS 45 N -0.10 -0.05 -1.60 5.64 8.25 -1.26 -4.99 115.22 121.12 2g4a n HIS 45 Ca 0.00 -3.65 -0.44 0.00 -0.26 0.00 0.00 57.72 53.37 2g4a n HIS 45 Cb 0.00 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 2g4a n HIS 45 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2g4a n PRO 46 N 1.06 2.01 -4.45 -0.41 -0.02 -1.26 -4.96 135.00 126.97 2g4a n PRO 46 Ca 0.22 0.59 -0.21 0.00 -2.02 0.00 0.00 63.50 62.08 2g4a n PRO 46 Cb 0.56 -3.12 -0.16 0.00 -0.02 0.00 0.00 33.50 30.77 2g4a n PRO 46 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2g4a s MET 47 N 6.02 1.09 0.41 -0.52 -1.94 -1.26 -4.99 119.30 118.11 2g4a s MET 47 Ca 1.00 -0.34 0.05 0.00 -1.71 0.00 0.00 55.69 54.69 2g4a s MET 47 Cb -0.41 -1.00 -0.02 0.00 2.01 0.00 0.00 34.83 35.41 2g4a s MET 47 CO 0.38 0.12 0.17 0.16 -0.01 0.00 0.00 175.02 175.84 2g4a s ASP 48 N 0.22 2.73 0.31 3.03 -4.77 -1.26 -4.71 116.67 112.23 2g4a s ASP 48 Ca -0.04 -1.75 0.04 0.00 -3.30 0.00 0.00 52.55 47.50 2g4a s ASP 48 Cb -0.09 0.61 0.51 0.00 -1.09 0.00 0.00 42.92 42.86 2g4a s ASP 48 CO 0.01 -1.01 1.78 -0.07 0.70 0.00 0.00 175.17 176.58 2g4a h LEU 49 N 1.78 0.42 -1.00 2.11 4.07 -1.68 -2.92 115.31 118.09 2g4a h LEU 49 Ca -0.32 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.53 2g4a h LEU 49 Cb 1.27 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.85 2g4a h LEU 49 CO 0.51 0.63 0.66 0.28 -1.08 0.00 0.00 178.44 179.44 2g4a h SER 50 N 0.39 1.14 -0.20 -0.43 0.02 -1.68 -0.38 113.55 112.41 2g4a h SER 50 Ca 0.07 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2g4a h SER 50 Cb 0.57 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2g4a h SER 50 CO 0.04 0.83 -0.23 0.74 -1.14 0.00 0.00 176.83 177.06 2g4a h THR 51 N 1.35 1.27 -0.27 -2.27 2.02 -1.80 -2.81 112.91 110.39 2g4a h THR 51 Ca 0.37 -1.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 2g4a h THR 51 Cb -0.15 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2g4a h THR 51 CO -0.08 0.43 -0.26 0.58 0.37 0.00 0.00 175.52 176.56 2g4a h VAL 52 N 0.58 1.27 -0.50 3.16 2.07 -1.21 -3.06 116.25 118.57 2g4a h VAL 52 Ca 0.08 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.32 2g4a h VAL 52 Cb 0.71 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2g4a h VAL 52 CO 0.05 0.42 0.29 0.50 0.02 0.00 0.00 177.57 178.85 2g4a h LYS 53 N 0.47 0.56 -0.81 1.57 3.64 -0.84 0.48 116.57 121.64 2g4a h LYS 53 Ca 0.07 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2g4a h LYS 53 Cb 0.70 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 2g4a h LYS 53 CO 0.05 0.37 0.53 -0.09 -2.27 0.00 0.00 179.45 178.04 2g4a h ARG 54 N 0.57 0.97 -0.12 1.90 2.43 -1.45 0.77 114.38 119.44 2g4a h ARG 54 Ca 0.20 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2g4a h ARG 54 Cb 0.04 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2g4a h ARG 54 CO -0.10 0.64 -0.22 0.87 -1.51 0.00 0.00 179.97 179.65 2g4a h LYS 55 N 1.00 0.37 -0.54 0.20 6.56 -1.32 -2.38 116.57 120.46 2g4a h LYS 55 Ca 0.32 -0.23 -0.03 0.00 -1.06 0.00 0.00 60.65 59.65 2g4a h LYS 55 Cb 0.03 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 2g4a h LYS 55 CO -0.09 0.82 0.19 0.52 -2.06 0.00 0.00 179.45 178.83 2g4a h MET 56 N -0.05 0.79 0.00 3.15 2.86 -0.52 0.58 114.93 121.74 2g4a h MET 56 Ca 0.01 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 2g4a h MET 56 Cb 0.80 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2g4a h MET 56 CO 0.05 0.67 -0.31 0.93 1.06 0.00 0.00 176.91 179.31 2g4a h GLU 57 N 0.77 0.00 -0.04 1.72 5.08 -0.85 -2.79 114.58 118.48 2g4a h GLU 57 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2g4a h GLU 57 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2g4a h GLU 57 CO -0.01 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.39 2g4a n ASN 58 N -3.48 3.01 -2.15 1.42 3.02 -0.75 -4.96 115.26 111.36 2g4a n ASN 58 Ca -0.00 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.39 2g4a n ASN 58 Cb 0.47 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2g4a n ASN 58 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2g4a n ARG 59 N 1.35 -3.32 0.18 3.52 0.63 0.43 -4.91 116.66 114.53 2g4a n ARG 59 Ca 0.14 0.64 0.02 0.00 -0.92 0.00 0.00 57.85 57.74 2g4a n ARG 59 Cb 0.60 -4.94 0.32 0.00 0.45 0.00 0.00 32.46 28.89 2g4a n ARG 59 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2g4a h ASP 60 N -0.93 0.00 -2.27 6.15 3.58 -0.25 -3.38 116.42 119.32 2g4a h ASP 60 Ca -0.37 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.42 2g4a h ASP 60 Cb 1.26 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.15 2g4a h ASP 60 CO 0.40 0.43 0.87 -0.31 -2.88 0.00 0.00 179.24 177.75 2g4a s TYR 61 N -3.94 2.92 -0.86 0.28 2.02 -1.26 -4.84 117.35 111.67 2g4a s TYR 61 Ca -0.02 -1.11 0.04 0.00 -0.37 0.00 0.00 57.07 55.61 2g4a s TYR 61 Cb 0.13 -4.35 0.22 0.00 -0.40 0.00 0.00 41.96 37.57 2g4a s TYR 61 CO 0.72 -1.60 0.86 2.89 -1.57 0.00 0.00 175.55 176.85 2g4a n ARG 62 N 7.18 2.03 -3.60 -0.62 1.85 -1.26 -4.86 116.66 117.38 2g4a n ARG 62 Ca 0.19 -0.85 -0.04 0.00 -1.00 0.00 0.00 57.85 56.15 2g4a n ARG 62 Cb 0.49 -1.68 -0.02 0.00 -1.05 0.00 0.00 32.46 30.20 2g4a n ARG 62 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2g4a s ASP 63 N -0.25 -0.17 0.18 2.89 2.15 -1.26 -5.04 116.67 115.17 2g4a s ASP 63 Ca 0.15 -0.08 0.09 0.00 0.43 0.00 0.00 52.55 53.14 2g4a s ASP 63 Cb 0.11 0.24 0.02 0.00 -0.30 0.00 0.00 42.92 42.99 2g4a s ASP 63 CO 0.05 -0.41 1.41 0.00 -0.17 0.00 0.00 175.17 176.05 2g4a h ALA 64 N 2.00 0.60 -1.00 3.66 0.00 -1.97 -3.21 119.26 119.34 2g4a h ALA 64 Ca -0.19 -0.76 0.06 0.00 0.00 0.00 0.00 54.91 54.02 2g4a h ALA 64 Cb 1.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2g4a h ALA 64 CO 0.26 1.04 0.65 1.96 0.00 0.00 0.00 179.25 183.16 2g4a h GLN 65 N 0.00 1.16 -0.22 0.00 7.50 -1.98 0.39 115.11 121.96 2g4a h GLN 65 Ca -0.01 -0.07 -0.15 0.00 0.50 0.00 0.00 58.65 58.92 2g4a h GLN 65 Cb 1.50 -0.26 0.00 0.00 0.05 0.00 0.00 27.48 28.77 2g4a h GLN 65 CO 0.11 0.77 -0.46 0.93 -1.50 0.00 0.00 178.83 178.68 2g4a h GLU 66 N 1.20 0.70 0.23 1.46 5.08 -1.98 -2.07 114.58 119.20 2g4a h GLU 66 Ca 0.42 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2g4a h GLU 66 Cb 0.12 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2g4a h GLU 66 CO -0.16 1.08 -0.11 0.35 -1.00 0.00 0.00 179.01 179.17 2g4a h PHE 67 N 0.42 -0.28 -0.71 4.33 3.57 -1.44 -2.39 116.94 120.44 2g4a h PHE 67 Ca 0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2g4a h PHE 67 Cb 1.06 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 2g4a h PHE 67 CO 0.09 0.08 0.47 0.00 -2.23 0.00 0.00 178.31 176.71 2g4a h ALA 68 N -0.07 1.72 -0.57 2.41 0.00 -0.34 -1.60 119.26 120.81 2g4a h ALA 68 Ca -0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2g4a h ALA 68 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2g4a h ALA 68 CO 0.05 0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.52 2g4a h ALA 69 N 1.62 0.76 -0.66 0.00 0.00 -1.34 -1.70 119.26 117.94 2g4a h ALA 69 Ca 0.31 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2g4a h ALA 69 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2g4a h ALA 69 CO -0.10 0.55 0.12 -0.44 0.00 0.00 0.00 179.25 179.38 2g4a h ASP 70 N 0.86 1.03 -0.36 0.00 5.19 -0.78 -1.81 116.42 120.56 2g4a h ASP 70 Ca 0.17 -0.25 -0.06 0.00 -0.62 0.00 0.00 57.03 56.26 2g4a h ASP 70 Cb 0.48 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2g4a h ASP 70 CO 0.02 1.02 -0.01 0.58 -3.12 0.00 0.00 179.24 177.73 2g4a h VAL 71 N 1.00 1.26 -0.62 -1.35 2.07 -1.24 -2.67 116.25 114.71 2g4a h VAL 71 Ca 0.20 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2g4a h VAL 71 Cb 0.42 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2g4a h VAL 71 CO 0.01 0.34 0.33 -0.09 0.02 0.00 0.00 177.57 178.17 2g4a h ARG 72 N 0.46 0.86 -0.39 1.57 2.43 -1.19 -2.52 114.38 115.59 2g4a h ARG 72 Ca 0.10 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2g4a h ARG 72 Cb 0.48 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2g4a h ARG 72 CO 0.02 0.64 0.14 1.25 -1.51 0.00 0.00 179.97 180.51 2g4a h LEU 73 N 0.86 0.56 -0.29 3.80 5.85 -1.15 -1.73 115.31 123.21 2g4a h LEU 73 Ca 0.22 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2g4a h LEU 73 Cb 0.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2g4a h LEU 73 CO -0.03 0.60 0.18 -0.03 -0.34 0.00 0.00 178.44 178.81 2g4a h MET 74 N 0.49 0.38 -0.72 1.25 4.05 -1.16 0.16 114.93 119.39 2g4a h MET 74 Ca 0.13 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2g4a h MET 74 Cb 0.22 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 2g4a h MET 74 CO -0.01 0.28 0.43 0.74 0.23 0.00 0.00 176.91 178.58 2g4a h PHE 75 N 0.37 0.95 -0.21 1.39 0.04 -1.37 -0.20 116.94 117.91 2g4a h PHE 75 Ca 0.10 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.69 2g4a h PHE 75 Cb -0.01 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.82 2g4a h PHE 75 CO -0.05 0.64 -0.60 0.77 -0.60 0.00 0.00 178.31 178.47 2g4a h SER 76 N 0.99 0.77 -0.27 2.17 0.02 -0.85 -2.52 113.55 113.87 2g4a h SER 76 Ca 0.26 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 2g4a h SER 76 Cb -0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2g4a h SER 76 CO -0.05 1.19 -0.09 0.78 -1.14 0.00 0.00 176.83 177.53 2g4a h ASN 77 N 0.51 0.54 -0.63 3.07 2.35 -0.14 -2.26 115.58 119.02 2g4a h ASN 77 Ca -0.00 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.30 2g4a h ASN 77 Cb 1.18 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.38 2g4a h ASN 77 CO 0.12 0.80 0.16 0.00 -1.65 0.00 0.00 177.43 176.87 2g4a h TYR 79 N 0.98 -0.56 -0.13 0.00 -1.99 -1.41 -2.45 116.97 111.41 2g4a h TYR 79 Ca 0.21 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.91 2g4a h TYR 79 Cb 0.34 0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 2g4a h TYR 79 CO 0.02 -0.24 0.02 1.57 -0.00 0.00 0.00 178.16 179.53 2g4a h LYS 80 N -0.86 0.18 0.62 4.88 2.10 -1.40 -3.14 116.57 118.95 2g4a h LYS 80 Ca -0.06 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 2g4a h LYS 80 Cb 0.57 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2g4a h LYS 80 CO 0.10 0.18 -0.30 -0.92 -2.00 0.00 0.00 179.45 176.52 2g4a h TYR 81 N 0.18 -0.77 -3.28 0.07 3.20 -1.06 -3.43 116.97 111.88 2g4a h TYR 81 Ca 0.05 -0.02 -0.67 0.00 3.14 0.00 0.00 58.73 61.23 2g4a h TYR 81 Cb 0.09 0.25 -0.31 0.00 1.54 0.00 0.00 36.73 38.30 2g4a h TYR 81 CO 0.00 -0.48 -0.83 1.21 -1.64 0.00 0.00 178.16 176.42 2g4a s ASN 82 N -3.59 3.42 0.75 -2.11 3.84 -0.93 -5.10 114.94 111.22 2g4a s ASN 82 Ca -0.12 -0.51 -0.14 0.00 0.21 0.00 0.00 52.86 52.30 2g4a s ASN 82 Cb 0.01 -1.50 0.05 0.00 -0.55 0.00 0.00 41.25 39.26 2g4a s ASN 82 CO 0.36 0.11 1.19 -2.16 -2.79 0.00 0.00 177.10 173.81 2g4a s PRO 83 N 0.63 2.06 -0.50 0.43 0.04 -1.26 -4.58 135.00 131.83 2g4a s PRO 83 Ca -0.10 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 2g4a s PRO 83 Cb -0.16 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 2g4a s PRO 83 CO 0.02 -1.87 1.82 -2.14 0.04 0.00 0.00 177.00 174.87 2g4a s PRO 84 N -4.06 2.91 0.00 0.56 0.02 -1.26 -4.53 135.00 128.63 2g4a s PRO 84 Ca 0.72 0.92 0.00 0.00 0.02 0.00 0.00 61.00 62.66 2g4a s PRO 84 Cb -0.27 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 29.94 2g4a s PRO 84 CO 0.47 -2.38 0.00 -0.25 -0.33 0.00 0.00 177.00 174.51 2g4a n ASP 85 N 11.76 0.00 -3.71 2.53 8.00 -1.26 -5.14 116.55 128.73 2g4a n ASP 85 Ca 0.21 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.66 2g4a n ASP 85 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 2g4a n ASP 85 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2g4a s HIS 86 N 0.00 -0.12 0.18 1.24 2.46 -1.26 -5.05 115.29 112.74 2g4a s HIS 86 Ca 0.00 -0.28 -0.01 0.00 0.47 0.00 0.00 55.06 55.25 2g4a s HIS 86 Cb 0.00 0.68 0.05 0.00 -0.13 0.00 0.00 32.58 33.18 2g4a s HIS 86 CO 0.00 -1.04 1.42 0.22 -2.47 0.00 0.00 174.74 172.88 2g4a h ASP 87 N 2.00 0.43 -0.06 9.88 3.58 -1.99 -2.80 116.42 127.46 2g4a h ASP 87 Ca -0.23 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 56.92 2g4a h ASP 87 Cb 1.24 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2g4a h ASP 87 CO 0.26 1.04 0.04 0.58 -2.88 0.00 0.00 179.24 178.28 2g4a h VAL 88 N 0.23 1.06 -0.31 2.25 2.07 -2.00 -2.22 116.25 117.33 2g4a h VAL 88 Ca -0.04 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2g4a h VAL 88 Cb 1.34 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2g4a h VAL 88 CO 0.13 0.05 -0.12 0.58 0.02 0.00 0.00 177.57 178.23 2g4a h VAL 89 N 0.04 1.23 -0.88 2.57 2.07 -1.92 -2.82 116.25 116.54 2g4a h VAL 89 Ca 0.02 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.53 2g4a h VAL 89 Cb 0.05 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2g4a h VAL 89 CO -0.00 0.34 0.58 0.00 0.02 0.00 0.00 177.57 178.51 2g4a h ALA 90 N 1.39 1.12 -0.75 1.67 0.00 -1.20 -2.13 119.26 119.37 2g4a h ALA 90 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2g4a h ALA 90 Cb 0.50 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2g4a h ALA 90 CO 0.03 0.50 0.46 0.52 0.00 0.00 0.00 179.25 180.77 2g4a h MET 91 N 1.18 1.01 -0.10 0.00 2.86 -1.15 -2.31 114.93 116.42 2g4a h MET 91 Ca 0.33 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2g4a h MET 91 Cb -0.11 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.32 2g4a h MET 91 CO -0.08 0.70 0.05 0.00 1.06 0.00 0.00 176.91 178.64 2g4a h ALA 92 N 1.48 0.14 -0.99 6.32 0.00 -1.36 -1.99 119.26 122.85 2g4a h ALA 92 Ca 0.27 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2g4a h ALA 92 Cb -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2g4a h ALA 92 CO -0.05 -0.31 0.64 -0.09 0.00 0.00 0.00 179.25 179.44 2g4a h ARG 93 N 0.05 1.15 -0.66 0.00 2.43 -1.17 -1.07 114.38 115.11 2g4a h ARG 93 Ca 0.04 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2g4a h ARG 93 Cb 0.12 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2g4a h ARG 93 CO -0.00 0.76 0.18 0.87 -1.51 0.00 0.00 179.97 180.27 2g4a h LYS 94 N 1.19 1.03 -0.35 0.20 1.57 -1.17 -2.72 116.57 116.32 2g4a h LYS 94 Ca 0.42 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 2g4a h LYS 94 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2g4a h LYS 94 CO -0.15 0.90 -0.28 1.25 -0.57 0.00 0.00 179.45 180.59 2g4a h LEU 95 N 0.98 0.76 -1.03 2.94 5.85 -0.55 -3.01 115.31 121.25 2g4a h LEU 95 Ca 0.21 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.68 2g4a h LEU 95 Cb 0.32 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2g4a h LEU 95 CO -0.00 1.00 0.64 1.56 -0.34 0.00 0.00 178.44 181.30 2g4a h GLN 96 N 0.63 1.18 -1.00 1.25 4.20 -0.92 -1.66 115.11 118.79 2g4a h GLN 96 Ca 0.08 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.80 2g4a h GLN 96 Cb 0.80 -0.27 -0.07 0.00 0.30 0.00 0.00 27.48 28.24 2g4a h GLN 96 CO 0.07 0.78 0.64 -0.44 -0.67 0.00 0.00 178.83 179.20 2g4a h ASP 97 N 1.22 0.98 -0.27 1.46 5.19 -1.37 -0.71 116.42 122.91 2g4a h ASP 97 Ca 0.40 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.79 2g4a h ASP 97 Cb 0.06 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2g4a h ASP 97 CO -0.14 0.58 0.04 0.58 -3.12 0.00 0.00 179.24 177.19 2g4a h VAL 98 N 1.09 1.19 -0.19 -1.35 2.07 -1.35 -2.63 116.25 115.08 2g4a h VAL 98 Ca 0.46 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2g4a h VAL 98 Cb 0.31 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2g4a h VAL 98 CO -0.21 0.26 0.09 0.15 0.02 0.00 0.00 177.57 177.88 2g4a h PHE 99 N 0.54 0.27 -0.64 1.57 3.57 -0.96 0.33 116.94 121.63 2g4a h PHE 99 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2g4a h PHE 99 Cb 0.29 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2g4a h PHE 99 CO 0.01 0.28 0.41 0.93 -2.23 0.00 0.00 178.31 177.71 2g4a h GLU 100 N 0.19 0.86 -0.31 1.11 3.07 -1.29 0.31 114.58 118.52 2g4a h GLU 100 Ca 0.07 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.71 2g4a h GLU 100 Cb 0.11 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2g4a h GLU 100 CO -0.01 0.58 -0.44 0.35 -1.40 0.00 0.00 179.01 178.10 2g4a h PHE 101 N 0.87 0.96 -0.28 4.33 3.57 -1.31 -2.99 116.94 122.08 2g4a h PHE 101 Ca 0.23 -0.30 -0.13 0.00 3.53 0.00 0.00 57.97 61.30 2g4a h PHE 101 Cb -0.07 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 2g4a h PHE 101 CO -0.02 1.09 -0.36 -0.09 -2.23 0.00 0.00 178.31 176.69 2g4a h ARG 102 N 0.63 0.63 0.00 1.11 1.12 0.03 -2.79 114.38 115.11 2g4a h ARG 102 Ca 0.04 -0.30 -0.03 0.00 -1.11 0.00 0.00 59.98 58.58 2g4a h ARG 102 Cb 1.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.96 2g4a h ARG 102 CO 0.10 0.89 -0.14 -0.92 -3.11 0.00 0.00 179.97 176.79 2g4a h TYR 103 N 0.53 0.00 -0.08 2.20 3.20 -0.32 0.19 116.97 122.69 2g4a h TYR 103 Ca 0.05 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.69 2g4a h TYR 103 Cb 0.86 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.15 2g4a h TYR 103 CO 0.04 0.14 -0.85 0.00 -1.64 0.00 0.00 178.16 175.85 2g4a h ALA 104 N 1.86 0.21 -0.02 1.82 0.00 -1.35 -3.22 119.26 118.56 2g4a h ALA 104 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2g4a h ALA 104 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2g4a h ALA 104 CO 0.02 0.64 -0.02 1.63 0.00 0.00 0.00 179.25 181.52 2g4a n LYS 105 N -3.95 1.70 0.01 0.00 4.01 -1.04 -4.29 118.16 114.59 2g4a n LYS 105 Ca -0.09 -1.06 -0.13 0.00 -0.51 0.00 0.00 58.31 56.52 2g4a n LYS 105 Cb 0.79 -1.48 -0.09 0.00 -0.51 0.00 0.00 35.03 33.74 2g4a n LYS 105 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2g4a h MET 106 N 2.59 -0.04 -5.18 1.97 4.05 -0.97 -3.38 114.93 113.97 2g4a h MET 106 Ca 0.00 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.21 2g4a h MET 106 Cb 0.57 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2g4a h MET 106 CO 0.00 0.35 0.66 -2.30 0.23 0.00 0.00 176.91 175.85 2g4a n PRO 107 N -4.92 0.74 -0.45 0.39 -0.02 -1.26 -4.99 135.00 124.48 2g4a n PRO 107 Ca -0.08 -1.94 0.00 0.00 -2.02 0.00 0.00 63.50 59.45 2g4a n PRO 107 Cb 0.21 -3.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.01 2g4a n PRO 107 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01