#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o3u h HIS -1 N 0.00 0.59 -0.52 4.41 -0.00 -2.00 -1.90 115.15 115.73 1o3u h HIS -1 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1o3u h HIS -1 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 1o3u h HIS -1 CO 0.00 0.30 0.35 0.45 -0.00 0.00 0.00 177.93 179.02 1o3u h HIS 0 N 0.61 0.66 -0.27 2.45 -0.00 -1.96 -1.54 115.15 115.10 1o3u h HIS 0 Ca 0.25 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.53 1o3u h HIS 0 Cb 0.13 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1o3u h HIS 0 CO -0.08 0.41 -0.26 1.98 -0.00 0.00 0.00 177.93 179.98 1o3u h MET 1 N 0.71 0.65 -0.36 2.45 4.05 -1.59 0.15 114.93 120.98 1o3u h MET 1 Ca 0.19 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1o3u h MET 1 Cb -0.08 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 1o3u h MET 1 CO -0.04 0.95 0.23 -0.44 0.23 0.00 0.00 176.91 177.84 1o3u h ASP 2 N 0.38 0.43 -0.52 1.39 3.32 -1.09 -1.24 116.42 119.09 1o3u h ASP 2 Ca 0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1o3u h ASP 2 Cb 0.83 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1o3u h ASP 2 CO 0.07 0.33 0.15 0.00 -1.72 0.00 0.00 179.24 178.07 1o3u h ALA 3 N 1.11 1.20 -0.46 3.45 0.00 -1.21 -1.21 119.26 122.15 1o3u h ALA 3 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1o3u h ALA 3 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1o3u h ALA 3 CO -0.03 0.55 0.26 0.00 0.00 0.00 0.00 179.25 180.04 1o3u h ALA 4 N 1.33 0.58 -0.33 0.00 0.00 -0.45 -1.15 119.26 119.24 1o3u h ALA 4 Ca 0.19 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1o3u h ALA 4 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1o3u h ALA 4 CO -0.00 -0.06 -0.14 0.87 0.00 0.00 0.00 179.25 179.92 1o3u h LYS 5 N 0.52 0.58 -0.23 0.00 1.57 -0.64 -0.90 116.57 117.46 1o3u h LYS 5 Ca 0.19 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1o3u h LYS 5 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1o3u h LYS 5 CO -0.10 0.70 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.03 1o3u h ASP 6 N 0.53 0.41 -0.85 0.86 3.32 -1.02 -1.29 116.42 118.39 1o3u h ASP 6 Ca 0.09 -0.32 0.11 0.00 0.02 0.00 0.00 57.03 56.93 1o3u h ASP 6 Cb 0.55 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 1o3u h ASP 6 CO 0.03 0.63 0.49 0.44 -1.72 0.00 0.00 179.24 179.11 1o3u h ASP 7 N 0.18 0.68 -0.46 6.45 3.32 -0.93 0.08 116.42 125.76 1o3u h ASP 7 Ca 0.07 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1o3u h ASP 7 Cb 0.42 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1o3u h ASP 7 CO 0.01 0.37 0.26 0.25 -1.72 0.00 0.00 179.24 178.42 1o3u h LEU 8 N 0.79 0.56 -0.80 1.55 5.85 -0.96 0.46 115.31 122.76 1o3u h LEU 8 Ca 0.42 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 1o3u h LEU 8 Cb 0.42 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1o3u h LEU 8 CO -0.27 0.47 0.36 -0.08 -0.34 0.00 0.00 178.44 178.59 1o3u h GLU 9 N 0.60 1.17 -0.23 1.25 4.57 -0.74 -0.86 114.58 120.35 1o3u h GLU 9 Ca 0.16 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1o3u h GLU 9 Cb 0.03 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 1o3u h GLU 9 CO -0.03 0.92 -0.02 1.25 -1.18 0.00 0.00 179.01 179.95 1o3u h HIS 10 N 1.15 -0.06 -0.60 0.92 2.76 -0.63 -0.91 115.15 117.78 1o3u h HIS 10 Ca 0.27 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.52 1o3u h HIS 10 Cb 0.16 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 1o3u h HIS 10 CO 0.02 -0.06 0.31 0.00 -1.30 0.00 0.00 177.93 176.89 1o3u h ALA 11 N 1.21 0.78 -0.39 5.26 0.00 -0.24 -0.59 119.26 125.29 1o3u h ALA 11 Ca 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1o3u h ALA 11 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1o3u h ALA 11 CO -0.20 -0.03 -0.05 0.87 0.00 0.00 0.00 179.25 179.83 1o3u h LYS 12 N 0.58 0.65 -0.17 0.00 1.57 -0.83 0.90 116.57 119.28 1o3u h LYS 12 Ca 0.27 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1o3u h LYS 12 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1o3u h LYS 12 CO -0.18 0.71 0.00 1.25 -0.57 0.00 0.00 179.45 180.66 1o3u h HIS 13 N 0.61 0.32 -0.74 -1.35 2.76 -0.70 -1.55 115.15 114.51 1o3u h HIS 13 Ca 0.12 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1o3u h HIS 13 Cb 0.46 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1o3u h HIS 13 CO 0.02 0.50 0.43 -0.44 -1.30 0.00 0.00 177.93 177.14 1o3u h ASP 14 N 0.05 0.90 -0.55 3.26 3.32 -0.92 -2.61 116.42 119.88 1o3u h ASP 14 Ca 0.05 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1o3u h ASP 14 Cb 0.37 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1o3u h ASP 14 CO 0.01 0.71 0.29 0.25 -1.72 0.00 0.00 179.24 178.77 1o3u h LEU 15 N 1.01 0.42 -1.60 1.55 5.85 -0.69 0.36 115.31 122.21 1o3u h LEU 15 Ca 0.26 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1o3u h LEU 15 Cb -0.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1o3u h LEU 15 CO -0.05 0.28 0.04 -0.08 -0.34 0.00 0.00 178.44 178.30 1o3u h GLU 16 N 0.55 0.30 -0.41 1.25 4.81 -0.92 -1.86 114.58 118.30 1o3u h GLU 16 Ca 0.24 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1o3u h GLU 16 Cb 0.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1o3u h GLU 16 CO -0.16 0.29 0.00 0.72 -0.73 0.00 0.00 179.01 179.13 1o3u n HIS 17 N -4.40 0.54 -0.81 0.92 8.25 -0.96 -4.93 115.22 113.83 1o3u n HIS 17 Ca 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1o3u n HIS 17 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1o3u n HIS 17 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1o3u n GLY 18 N 1.41 0.56 3.12 -1.41 0.00 -0.70 -4.97 105.19 103.21 1o3u n GLY 18 Ca 0.19 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1o3u n GLY 18 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o3u n PHE 19 N -2.81 3.72 -0.16 1.61 0.99 0.07 -4.82 117.46 116.06 1o3u n PHE 19 Ca 0.00 -3.04 -0.09 0.00 -0.00 0.00 0.00 57.45 54.32 1o3u n PHE 19 Cb 0.00 -1.93 0.05 0.00 -1.00 0.00 0.00 39.48 36.60 1o3u n PHE 19 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1o3u h TYR 20 N 6.24 1.06 -0.46 1.38 0.99 -1.90 -1.32 116.97 122.97 1o3u h TYR 20 Ca 0.33 -0.21 0.05 0.00 2.00 0.00 0.00 58.73 60.90 1o3u h TYR 20 Cb 0.73 -0.27 -0.04 0.00 1.00 0.00 0.00 36.73 38.14 1o3u h TYR 20 CO 1.14 0.99 0.21 -2.95 -0.00 0.00 0.00 178.16 177.54 1o3u h ASN 21 N 0.86 0.27 0.30 3.88 -1.07 -1.90 -1.64 115.58 116.29 1o3u h ASN 21 Ca 0.14 0.04 -0.16 0.00 0.07 0.00 0.00 56.30 56.39 1o3u h ASN 21 Cb 0.63 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.86 1o3u h ASN 21 CO 0.04 0.19 -0.63 -0.50 0.07 0.00 0.00 177.43 176.61 1o3u h TRP 22 N 0.41 0.41 -0.70 4.14 -0.00 -1.85 -2.12 115.95 116.24 1o3u h TRP 22 Ca 0.21 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1o3u h TRP 22 Cb 0.15 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 29.20 1o3u h TRP 22 CO -0.12 0.86 0.41 0.00 -0.00 0.00 0.00 178.44 179.58 1o3u h ALA 23 N 1.10 0.89 -0.16 1.49 0.00 -0.87 -0.41 119.26 121.31 1o3u h ALA 23 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1o3u h ALA 23 Cb 1.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1o3u h ALA 23 CO 0.10 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 1o3u h PHE 25 N 0.04 -0.13 -0.76 0.00 3.57 -0.73 -2.13 116.94 116.79 1o3u h PHE 25 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1o3u h PHE 25 Cb 0.09 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1o3u h PHE 25 CO -0.16 -0.09 0.43 0.77 -2.23 0.00 0.00 178.31 177.03 1o3u h SER 26 N -0.07 0.93 -0.57 0.41 0.02 -1.05 -2.49 113.55 110.74 1o3u h SER 26 Ca 0.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1o3u h SER 26 Cb 0.13 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1o3u h SER 26 CO -0.10 0.74 0.27 0.28 -1.14 0.00 0.00 176.83 176.88 1o3u h SER 27 N 1.06 0.74 -0.13 3.07 0.02 -0.91 -0.48 113.55 116.92 1o3u h SER 27 Ca 0.27 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1o3u h SER 27 Cb 0.00 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1o3u h SER 27 CO -0.05 0.66 -0.03 1.56 -1.14 0.00 0.00 176.83 177.83 1o3u h GLN 28 N 0.77 -0.00 -0.75 3.45 4.20 -1.07 -1.39 115.11 120.32 1o3u h GLN 28 Ca 0.19 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1o3u h GLN 28 Cb 0.12 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1o3u h GLN 28 CO -0.02 -0.00 0.49 1.96 -0.67 0.00 0.00 178.83 180.58 1o3u h GLN 29 N -0.00 0.99 -0.49 1.46 1.08 -1.24 -1.59 115.11 115.32 1o3u h GLN 29 Ca 0.06 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1o3u h GLN 29 Cb 0.10 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 1o3u h GLN 29 CO -0.13 0.66 0.29 0.00 -0.95 0.00 0.00 178.83 178.69 1o3u h ALA 30 N 1.27 0.62 -0.29 3.87 0.00 -0.88 -0.91 119.26 122.94 1o3u h ALA 30 Ca 0.27 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1o3u h ALA 30 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1o3u h ALA 30 CO -0.06 0.12 -0.07 0.00 0.00 0.00 0.00 179.25 179.24 1o3u h ALA 31 N 1.13 0.40 -0.33 0.00 0.00 -0.99 -1.77 119.26 117.70 1o3u h ALA 31 Ca 0.17 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1o3u h ALA 31 Cb 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1o3u h ALA 31 CO -0.03 0.22 -0.11 0.93 0.00 0.00 0.00 179.25 180.26 1o3u h GLU 32 N 0.32 -0.04 -0.52 0.00 5.08 -1.12 -2.27 114.58 116.03 1o3u h GLU 32 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1o3u h GLU 32 Cb 0.56 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1o3u h GLU 32 CO 0.03 -0.03 0.05 0.87 -1.00 0.00 0.00 179.01 178.93 1o3u h LYS 33 N -0.04 0.85 -0.33 2.33 1.57 -1.03 -2.00 116.57 117.92 1o3u h LYS 33 Ca 0.16 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1o3u h LYS 33 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1o3u h LYS 33 CO -0.37 0.82 0.12 0.00 -0.57 0.00 0.00 179.45 179.45 1o3u h ALA 34 N 1.25 0.43 -0.49 3.86 0.00 -1.00 -1.80 119.26 121.50 1o3u h ALA 34 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1o3u h ALA 34 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1o3u h ALA 34 CO 0.01 0.04 -0.18 0.28 0.00 0.00 0.00 179.25 179.41 1o3u h VAL 35 N 0.38 1.27 -0.44 0.00 2.07 -1.25 -2.42 116.25 115.84 1o3u h VAL 35 Ca 0.11 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1o3u h VAL 35 Cb 0.21 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1o3u h VAL 35 CO -0.01 0.46 0.30 0.11 0.02 0.00 0.00 177.57 178.45 1o3u h LYS 36 N 0.85 0.38 -0.40 1.57 1.57 -1.13 -1.17 116.57 118.23 1o3u h LYS 36 Ca 0.12 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1o3u h LYS 36 Cb 0.74 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1o3u h LYS 36 CO 0.06 0.25 0.27 0.00 -0.57 0.00 0.00 179.45 179.46 1o3u h ALA 37 N 1.76 1.75 -0.09 3.86 0.00 -0.81 0.37 119.26 126.10 1o3u h ALA 37 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1o3u h ALA 37 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1o3u h ALA 37 CO -0.05 0.22 -0.07 0.28 0.00 0.00 0.00 179.25 179.64 1o3u h VAL 38 N 0.52 1.35 -0.68 0.00 2.07 -1.21 -2.00 116.25 116.30 1o3u h VAL 38 Ca 0.15 -1.19 0.11 0.00 0.82 0.00 0.00 66.70 66.59 1o3u h VAL 38 Cb -0.01 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 1o3u h VAL 38 CO -0.03 0.33 0.28 -0.26 0.02 0.00 0.00 177.57 177.91 1o3u h PHE 39 N -0.20 0.48 -0.42 1.57 -1.00 -1.24 -3.01 116.94 113.12 1o3u h PHE 39 Ca 0.02 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 1o3u h PHE 39 Cb 0.57 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1o3u h PHE 39 CO 0.08 0.12 0.15 0.37 -1.61 0.00 0.00 178.31 177.42 1o3u h GLN 40 N 0.46 0.64 -1.91 1.51 4.15 -0.77 -0.60 115.11 118.58 1o3u h GLN 40 Ca 0.35 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1o3u h GLN 40 Cb 0.45 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1o3u h GLN 40 CO -0.33 0.61 0.00 -2.13 -1.93 0.00 0.00 178.83 175.05 1o3u n ARG 41 N -4.61 0.09 -0.45 1.69 3.00 -0.77 -4.60 116.66 111.01 1o3u n ARG 41 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1o3u n ARG 41 Cb 0.16 -1.46 -0.01 0.00 0.00 0.00 0.00 32.46 31.16 1o3u n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1o3u n GLY 43 N 0.97 0.70 3.76 5.14 0.00 -0.36 -5.11 105.19 110.28 1o3u n GLY 43 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1o3u n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o3u s ALA 44 N 0.00 3.52 0.14 4.61 0.00 -0.48 -5.09 121.76 124.46 1o3u s ALA 44 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 1o3u s ALA 44 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 1o3u s ALA 44 CO 0.00 0.73 1.17 -1.14 0.00 0.00 0.00 175.76 176.52 1o3u s GLN 45 N -2.21 4.50 -0.37 0.00 2.00 -1.26 -4.40 119.66 117.91 1o3u s GLN 45 Ca 0.27 1.80 -0.11 0.00 -2.00 0.00 0.00 55.36 55.33 1o3u s GLN 45 Cb -0.12 -3.28 0.03 0.00 0.80 0.00 0.00 33.01 30.43 1o3u s GLN 45 CO 0.19 -0.10 0.20 0.00 -0.50 0.00 0.00 175.29 175.09 1o3u s ALA 46 N 0.24 3.28 -0.12 1.58 0.00 -1.26 -5.08 121.76 120.40 1o3u s ALA 46 Ca 0.54 -1.71 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 1o3u s ALA 46 Cb -0.31 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1o3u s ALA 46 CO 0.34 -1.37 0.54 -1.58 0.00 0.00 0.00 175.76 173.69 1o3u s TRP 47 N 1.55 3.51 -0.81 0.00 0.52 -1.26 -5.01 118.94 117.44 1o3u s TRP 47 Ca 0.02 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.10 1o3u s TRP 47 Cb -0.19 -2.63 0.00 0.00 -1.15 0.00 0.00 33.47 29.50 1o3u s TRP 47 CO 0.07 0.11 0.00 0.41 0.02 0.00 0.00 176.95 177.55 1o3u n GLY 48 N 3.32 0.57 0.10 0.98 0.00 -1.26 -4.46 105.19 104.44 1o3u n GLY 48 Ca -0.05 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.66 1o3u n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1o3u n TYR 49 N 0.37 0.00 -2.84 1.61 4.01 -1.26 -4.99 117.16 114.06 1o3u n TYR 49 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 1o3u n TYR 49 Cb 0.00 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.71 1o3u n TYR 49 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1o3u s SER 50 N -4.84 6.38 0.18 7.72 1.04 -1.26 -4.95 113.70 117.97 1o3u s SER 50 Ca -0.11 0.95 -0.12 0.00 0.48 0.00 0.00 55.95 57.16 1o3u s SER 50 Cb 0.03 -2.25 0.08 0.00 0.10 0.00 0.00 66.02 63.98 1o3u s SER 50 CO 0.18 -0.45 1.75 0.58 0.98 0.00 0.00 173.24 176.27 1o3u h VAL 51 N 0.70 1.22 -0.85 5.02 2.07 -1.91 -2.04 116.25 120.46 1o3u h VAL 51 Ca -0.47 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 66.50 1o3u h VAL 51 Cb 1.20 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1o3u h VAL 51 CO 0.63 0.26 0.55 -0.65 0.02 0.00 0.00 177.57 178.38 1o3u h PRO 52 N 0.84 0.75 0.40 1.57 0.11 -1.93 -0.67 132.00 133.07 1o3u h PRO 52 Ca 0.21 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1o3u h PRO 52 Cb 0.16 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1o3u h PRO 52 CO -0.02 0.50 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.60 1o3u h ASP 53 N 0.78 -0.55 -0.36 -2.05 3.32 -1.74 -1.15 116.42 114.67 1o3u h ASP 53 Ca 0.40 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.38 1o3u h ASP 53 Cb 0.50 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1o3u h ASP 53 CO -0.17 -0.37 -0.19 -0.26 -1.72 0.00 0.00 179.24 176.54 1o3u h PHE 54 N -0.59 0.88 -0.40 4.55 0.04 -1.06 -2.39 116.94 117.97 1o3u h PHE 54 Ca -0.05 -0.22 -0.04 0.00 2.80 0.00 0.00 57.97 60.46 1o3u h PHE 54 Cb 0.47 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1o3u h PHE 54 CO -0.07 0.96 0.08 -0.07 -0.60 0.00 0.00 178.31 178.60 1o3u h LEU 55 N 0.54 0.55 -0.35 1.54 3.38 -1.12 -0.76 115.31 119.09 1o3u h LEU 55 Ca 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1o3u h LEU 55 Cb 0.73 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1o3u h LEU 55 CO 0.06 0.57 0.18 1.23 0.09 0.00 0.00 178.44 180.57 1o3u h GLY 56 N 0.82 0.53 1.01 0.83 0.00 -0.97 -1.81 103.07 103.49 1o3u h GLY 56 Ca 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1o3u h GLY 56 CO -0.00 0.24 0.25 0.83 0.00 0.00 0.00 176.54 177.86 1o3u h GLU 57 N 0.44 0.95 0.00 4.80 5.08 -1.10 -2.67 114.58 122.08 1o3u h GLU 57 Ca 0.12 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1o3u h GLU 57 Cb 0.08 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1o3u h GLU 57 CO -0.02 0.80 -0.05 1.25 -1.00 0.00 0.00 179.01 180.00 1o3u h LEU 58 N 0.89 0.00 -2.75 1.33 5.85 -0.89 -2.78 115.31 116.95 1o3u h LEU 58 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1o3u h LEU 58 Cb 0.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1o3u h LEU 58 CO -0.02 0.05 0.03 0.28 -0.34 0.00 0.00 178.44 178.44 1o3u h SER 59 N 0.00 0.00 1.03 1.25 0.02 -0.97 -0.42 113.55 114.47 1o3u h SER 59 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1o3u h SER 59 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1o3u h SER 59 CO 0.01 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 176.47 1o3u h SER 60 N 0.00 0.00 0.00 3.07 4.64 -1.64 -3.37 113.55 116.26 1o3u h SER 60 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1o3u h SER 60 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1o3u h SER 60 CO -0.00 0.00 -0.99 -1.14 -0.87 0.00 0.00 176.83 173.83 1o3u n ARG 61 N -2.60 0.00 -4.53 4.77 3.00 -0.55 -5.06 116.66 111.70 1o3u n ARG 61 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.61 1o3u n ARG 61 Cb 0.31 -0.97 -0.14 0.00 0.00 0.00 0.00 32.46 31.66 1o3u n ARG 61 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1o3u s PHE 62 N -1.99 1.93 -0.08 -0.14 0.08 -0.28 -5.11 117.98 112.40 1o3u s PHE 62 Ca 0.00 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 1o3u s PHE 62 Cb 0.00 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 1o3u s PHE 62 CO 0.00 0.17 1.39 -2.00 -0.10 0.00 0.00 175.22 174.68 1o3u s GLU 63 N -1.53 4.24 -0.25 0.44 2.56 -1.26 -4.00 118.70 118.90 1o3u s GLU 63 Ca 0.09 1.88 -0.06 0.00 0.00 0.00 0.00 54.97 56.88 1o3u s GLU 63 Cb -0.09 -3.75 -0.01 0.00 2.00 0.00 0.00 34.13 32.27 1o3u s GLU 63 CO 0.03 -0.68 0.04 0.42 -0.56 0.00 0.00 175.26 174.51 1o3u s ILE 64 N 3.20 3.97 0.43 -3.70 -1.09 -1.26 -5.06 121.20 117.68 1o3u s ILE 64 Ca 0.62 -0.38 -0.25 0.00 -2.23 0.00 0.00 60.65 58.40 1o3u s ILE 64 Cb -0.28 -2.89 -0.10 0.00 -1.58 0.00 0.00 42.46 37.62 1o3u s ILE 64 CO 0.22 0.30 1.30 -2.65 -1.23 0.00 0.00 174.94 172.89 1o3u n PRO 65 N 4.88 2.00 -0.31 2.79 -0.02 -1.26 -4.86 135.00 138.22 1o3u n PRO 65 Ca -0.16 0.71 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 1o3u n PRO 65 Cb 0.50 -2.43 0.15 0.00 -0.02 0.00 0.00 33.50 31.71 1o3u n PRO 65 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1o3u h GLU 66 N 2.13 0.89 -0.14 -0.52 4.81 -2.00 -2.03 114.58 117.73 1o3u h GLU 66 Ca -0.48 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 1o3u h GLU 66 Cb 1.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1o3u h GLU 66 CO 0.60 0.59 -0.08 1.05 -0.73 0.00 0.00 179.01 180.44 1o3u h GLU 67 N 0.91 0.20 -0.37 1.92 4.11 -1.99 -0.21 114.58 119.16 1o3u h GLU 67 Ca 0.39 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.63 1o3u h GLU 67 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1o3u h GLU 67 CO -0.20 0.29 -0.37 -0.07 0.07 0.00 0.00 179.01 178.74 1o3u h LEU 68 N 0.20 0.92 -0.58 3.06 3.38 -1.74 -0.79 115.31 119.76 1o3u h LEU 68 Ca 0.04 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1o3u h LEU 68 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1o3u h LEU 68 CO 0.01 1.19 0.25 -0.03 0.09 0.00 0.00 178.44 179.95 1o3u h MET 69 N 0.72 0.86 -0.32 1.13 4.05 -1.06 -0.89 114.93 119.42 1o3u h MET 69 Ca 0.06 -0.15 0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1o3u h MET 69 Cb 0.94 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.54 1o3u h MET 69 CO 0.09 0.73 -0.02 -0.44 0.23 0.00 0.00 176.91 177.49 1o3u h ASP 70 N 0.80 -0.18 -0.93 1.39 3.45 -0.95 -1.26 116.42 118.75 1o3u h ASP 70 Ca 0.20 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 1o3u h ASP 70 Cb 0.18 0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 1o3u h ASP 70 CO -0.02 -0.05 0.56 0.45 -1.57 0.00 0.00 179.24 178.61 1o3u h HIS 71 N 0.06 1.23 -0.84 4.55 3.86 -0.94 -2.46 115.15 120.61 1o3u h HIS 71 Ca 0.15 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1o3u h HIS 71 Cb 0.22 -0.40 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 1o3u h HIS 71 CO -0.25 0.81 0.47 0.00 0.86 0.00 0.00 177.93 179.83 1o3u h ALA 72 N 1.31 1.25 -0.22 2.45 0.00 -0.61 -0.59 119.26 122.85 1o3u h ALA 72 Ca 0.33 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1o3u h ALA 72 Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1o3u h ALA 72 CO -0.06 0.62 -0.41 -0.07 0.00 0.00 0.00 179.25 179.33 1o3u h LEU 73 N 1.17 0.55 -0.76 0.00 3.38 -0.82 -0.77 115.31 118.06 1o3u h LEU 73 Ca 0.30 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1o3u h LEU 73 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1o3u h LEU 73 CO -0.05 0.90 -0.06 -0.33 0.09 0.00 0.00 178.44 178.99 1o3u h GLU 74 N 0.43 0.88 0.00 1.13 4.39 -0.96 -2.83 114.58 117.62 1o3u h GLU 74 Ca 0.04 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.36 1o3u h GLU 74 Cb 0.90 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1o3u h GLU 74 CO 0.08 0.91 -0.44 -0.07 -1.16 0.00 0.00 179.01 178.34 1o3u h LEU 75 N 0.80 0.00 -1.50 1.33 3.38 -0.64 -2.97 115.31 115.71 1o3u h LEU 75 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1o3u h LEU 75 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1o3u h LEU 75 CO 0.03 0.44 -0.13 -0.78 0.09 0.00 0.00 178.44 178.09 1o3u h ASP 76 N 0.00 0.00 -4.27 -0.43 3.58 -0.89 -3.44 116.42 110.97 1o3u h ASP 76 Ca -0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.93 1o3u h ASP 76 Cb 0.87 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.04 1o3u h ASP 76 CO 0.06 0.13 0.34 -0.54 -2.88 0.00 0.00 179.24 176.34 1o3u s LYS 77 N -3.81 2.45 0.32 0.28 1.02 -1.13 -4.95 119.74 113.92 1o3u s LYS 77 Ca -0.00 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 56.96 1o3u s LYS 77 Cb 0.11 -1.91 -0.11 0.00 -0.52 0.00 0.00 37.83 35.39 1o3u s LYS 77 CO 0.59 -1.51 1.57 0.00 -0.92 0.00 0.00 175.35 175.08 1o3u s ALA 78 N -2.67 3.70 -0.70 5.17 0.00 -1.26 -5.07 121.76 120.94 1o3u s ALA 78 Ca 0.64 1.59 -0.16 0.00 0.00 0.00 0.00 51.96 54.03 1o3u s ALA 78 Cb -0.19 -3.64 0.16 0.00 0.00 0.00 0.00 23.12 19.45 1o3u s ALA 78 CO 0.50 -1.02 0.71 0.00 0.00 0.00 0.00 175.76 175.94 1o3u n ASP 86 N 5.08 0.00 0.00 0.00 5.75 -1.26 -4.90 116.55 121.22 1o3u n ASP 86 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.94 1o3u n ASP 86 Cb 0.44 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.22 1o3u n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o3u n ALA 87 N -0.07 2.40 -2.05 2.12 0.00 -1.26 -4.74 120.51 116.90 1o3u n ALA 87 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1o3u n ALA 87 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.93 1o3u n ALA 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1o3u s LEU 88 N -2.79 4.52 0.39 0.00 1.43 -1.26 -5.03 118.68 115.93 1o3u s LEU 88 Ca 0.21 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 55.06 1o3u s LEU 88 Cb 0.20 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.71 1o3u s LEU 88 CO 0.49 -0.13 1.36 -2.65 0.23 0.00 0.00 176.35 175.66 1o3u n PRO 89 N 2.28 2.26 -1.35 1.29 -0.02 -1.26 -4.70 135.00 133.50 1o3u n PRO 89 Ca 0.02 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.92 1o3u n PRO 89 Cb 0.47 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1o3u n PRO 89 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1o3u n SER 90 N 0.39 -1.66 0.00 2.55 7.64 -1.26 -2.18 113.62 119.10 1o3u n SER 90 Ca 0.04 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1o3u n SER 90 Cb 0.39 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1o3u n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o3u n GLY 91 N 1.91 0.21 0.29 0.23 0.00 -1.26 -4.63 105.19 101.94 1o3u n GLY 91 Ca 0.10 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.58 1o3u n GLY 91 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1o3u h SER 92 N 2.03 0.38 -0.26 1.61 4.64 -1.98 -1.74 113.55 118.22 1o3u h SER 92 Ca 0.00 0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1o3u h SER 92 Cb 0.00 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1o3u h SER 92 CO 0.00 0.16 0.13 -0.65 -0.87 0.00 0.00 176.83 175.60 1o3u h PRO 93 N 0.52 0.27 -0.23 4.77 0.11 -1.82 0.18 132.00 135.80 1o3u h PRO 93 Ca 0.42 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.43 1o3u h PRO 93 Cb 0.61 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1o3u h PRO 93 CO -0.38 0.18 -0.20 -0.09 -0.21 0.00 0.00 178.00 177.30 1o3u h ARG 94 N 0.28 0.53 -0.44 1.05 2.43 -1.25 -2.24 114.38 114.74 1o3u h ARG 94 Ca 0.11 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1o3u h ARG 94 Cb 0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1o3u h ARG 94 CO -0.07 0.85 -0.08 -0.91 -1.51 0.00 0.00 179.97 178.25 1o3u h ASN 95 N 0.23 0.76 -0.31 -3.80 2.35 -1.27 -0.61 115.58 112.92 1o3u h ASN 95 Ca 0.04 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1o3u h ASN 95 Cb 0.74 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1o3u h ASN 95 CO 0.05 0.87 0.08 0.03 -1.65 0.00 0.00 177.43 176.81 1o3u h ARG 96 N 0.71 0.49 -0.45 0.81 3.08 -0.93 -0.17 114.38 117.91 1o3u h ARG 96 Ca 0.13 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1o3u h ARG 96 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1o3u h ARG 96 CO 0.03 0.56 0.30 -0.92 -1.07 0.00 0.00 179.97 178.87 1o3u h TYR 97 N 0.34 0.57 -0.43 3.04 3.20 -1.20 -1.71 116.97 120.79 1o3u h TYR 97 Ca 0.10 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1o3u h TYR 97 Cb 0.28 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1o3u h TYR 97 CO 0.01 0.37 -0.18 0.77 -1.64 0.00 0.00 178.16 177.49 1o3u h SER 98 N 0.62 0.91 -0.27 -2.11 0.02 -0.96 -1.46 113.55 110.28 1o3u h SER 98 Ca 0.17 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1o3u h SER 98 Cb -0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1o3u h SER 98 CO -0.04 1.10 0.15 -0.09 -1.14 0.00 0.00 176.83 176.82 1o3u h ARG 99 N 0.71 0.38 -0.50 3.45 9.65 -0.89 -0.62 114.38 126.57 1o3u h ARG 99 Ca 0.10 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1o3u h ARG 99 Cb 0.74 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1o3u h ARG 99 CO 0.06 0.32 0.19 0.82 2.80 0.00 0.00 179.97 184.16 1o3u h ILE 100 N 0.33 1.22 -0.46 1.20 2.04 -1.22 -1.05 117.51 119.56 1o3u h ILE 100 Ca 0.10 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1o3u h ILE 100 Cb 0.05 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1o3u h ILE 100 CO -0.02 0.26 0.27 -0.08 0.00 0.00 0.00 178.15 178.58 1o3u h GLU 101 N 0.66 0.63 -0.44 2.37 4.81 -1.16 -0.36 114.58 121.10 1o3u h GLU 101 Ca 0.16 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1o3u h GLU 101 Cb 0.22 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1o3u h GLU 101 CO -0.01 0.48 0.01 0.00 -0.73 0.00 0.00 179.01 178.76 1o3u h ALA 102 N 1.12 0.59 -0.64 2.92 0.00 -0.99 -1.53 119.26 120.72 1o3u h ALA 102 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1o3u h ALA 102 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1o3u h ALA 102 CO -0.03 0.37 0.39 0.93 0.00 0.00 0.00 179.25 180.91 1o3u h GLU 103 N 0.61 0.74 -0.14 0.00 5.08 -0.91 -1.11 114.58 118.84 1o3u h GLU 103 Ca 0.12 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1o3u h GLU 103 Cb 0.48 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1o3u h GLU 103 CO 0.02 0.49 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.36 1o3u h ARG 104 N 0.76 -0.05 -0.46 2.33 2.43 -0.85 -0.37 114.38 118.17 1o3u h ARG 104 Ca 0.26 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1o3u h ARG 104 Cb 0.04 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1o3u h ARG 104 CO -0.11 -0.04 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.17 1o3u h LEU 105 N -0.06 0.79 -0.29 3.80 3.38 -0.96 0.98 115.31 122.95 1o3u h LEU 105 Ca 0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1o3u h LEU 105 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1o3u h LEU 105 CO -0.18 0.90 0.08 0.58 0.09 0.00 0.00 178.44 179.91 1o3u h VAL 106 N 0.74 1.21 -0.90 1.22 2.07 -1.00 -1.52 116.25 118.07 1o3u h VAL 106 Ca 0.13 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1o3u h VAL 106 Cb 0.55 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1o3u h VAL 106 CO 0.03 0.23 0.59 0.78 0.02 0.00 0.00 177.57 179.22 1o3u h ASN 107 N 0.31 0.99 -0.63 0.57 2.35 -0.67 -0.73 115.58 117.77 1o3u h ASN 107 Ca 0.09 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1o3u h ASN 107 Cb 0.28 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1o3u h ASN 107 CO 0.00 0.70 0.38 1.88 -1.65 0.00 0.00 177.43 178.73 1o3u h TYR 108 N 1.16 0.83 -0.33 1.19 0.05 -0.58 0.27 116.97 119.55 1o3u h TYR 108 Ca 0.35 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.09 1o3u h TYR 108 Cb -0.05 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 1o3u h TYR 108 CO -0.01 0.56 0.05 0.00 -1.05 0.00 0.00 178.16 177.71 1o3u h ALA 109 N 1.19 0.44 -0.68 3.88 0.00 -0.81 -1.38 119.26 121.90 1o3u h ALA 109 Ca 0.22 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1o3u h ALA 109 Cb -0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1o3u h ALA 109 CO -0.04 0.15 0.35 1.49 0.00 0.00 0.00 179.25 181.20 1o3u h GLU 110 N 0.39 0.60 -0.46 0.00 4.81 -0.91 0.82 114.58 119.83 1o3u h GLU 110 Ca 0.10 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1o3u h GLU 110 Cb 0.36 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1o3u h GLU 110 CO 0.01 0.40 0.23 -0.22 -0.73 0.00 0.00 179.01 178.69 1o3u h LYS 111 N 0.62 0.44 -0.33 1.92 3.64 -0.65 -0.74 116.57 121.47 1o3u h LYS 111 Ca 0.33 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1o3u h LYS 111 Cb 0.30 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1o3u h LYS 111 CO -0.24 0.29 0.11 0.82 -2.27 0.00 0.00 179.45 178.16 1o3u h ILE 112 N 0.46 1.20 -0.50 2.00 2.04 -0.78 -0.51 117.51 121.41 1o3u h ILE 112 Ca 0.20 -0.65 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1o3u h ILE 112 Cb 0.11 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 1o3u h ILE 112 CO -0.14 0.22 0.10 0.40 0.00 0.00 0.00 178.15 178.73 1o3u h ILE 113 N 0.37 0.72 -0.24 -0.67 2.04 -0.61 -0.18 117.51 118.94 1o3u h ILE 113 Ca 0.11 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.75 1o3u h ILE 113 Cb 0.24 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1o3u h ILE 113 CO -0.00 0.04 -0.39 0.03 0.00 0.00 0.00 178.15 177.83 1o3u h ARG 114 N 0.24 0.56 -0.03 2.37 3.08 -0.91 0.77 114.38 120.46 1o3u h ARG 114 Ca 0.25 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1o3u h ARG 114 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1o3u h ARG 114 CO -0.33 0.86 0.02 0.35 -1.07 0.00 0.00 179.97 179.80 1o3u h PHE 115 N 0.47 0.04 -0.85 3.04 3.57 -0.79 -0.40 116.94 122.02 1o3u h PHE 115 Ca 0.04 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1o3u h PHE 115 Cb 0.88 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1o3u h PHE 115 CO 0.03 0.10 0.56 0.00 -2.23 0.00 0.00 178.31 176.78 1o3u h GLU 117 N 1.14 0.31 -0.69 0.00 5.08 -0.62 0.73 114.58 120.53 1o3u h GLU 117 Ca 0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1o3u h GLU 117 Cb -0.11 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1o3u h GLU 117 CO -0.08 0.20 0.43 -0.44 -1.00 0.00 0.00 179.01 178.13 1o3u h ASP 118 N 0.32 0.82 0.09 1.42 5.19 -0.63 -0.46 116.42 123.17 1o3u h ASP 118 Ca 0.18 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1o3u h ASP 118 Cb 0.16 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1o3u h ASP 118 CO -0.18 0.62 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.45 1o3u h LEU 119 N 0.94 -0.10 -2.02 1.55 3.38 -0.62 -3.08 115.31 115.36 1o3u h LEU 119 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1o3u h LEU 119 Cb -0.06 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1o3u h LEU 119 CO -0.05 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.37 1o3u h LEU 120 N -0.20 0.00 -1.30 1.67 3.38 -0.53 -0.98 115.31 117.35 1o3u h LEU 120 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1o3u h LEU 120 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1o3u h LEU 120 CO 0.02 0.04 0.00 0.28 0.09 0.00 0.00 178.44 178.87 1o3u h SER 121 N 0.00 0.00 0.00 -0.43 0.02 -1.00 -3.20 113.55 108.94 1o3u h SER 121 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1o3u h SER 121 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1o3u h SER 121 CO 0.01 0.00 -0.86 0.54 -1.14 0.00 0.00 176.83 175.38 1o3u n ARG 122 N -3.06 2.23 0.00 3.45 1.74 -0.44 -5.10 116.66 115.49 1o3u n ARG 122 Ca 0.01 -0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1o3u n ARG 122 Cb 0.32 -1.14 0.03 0.00 -1.02 0.00 0.00 32.46 30.65 1o3u n ARG 122 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55