#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isf s GLY 3 N 0.00 2.19 0.19 0.72 0.00 -0.56 -5.00 107.32 104.86 3isf s GLY 3 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.90 3isf s GLY 3 CO 0.00 0.81 1.13 -0.35 0.00 0.00 0.00 173.10 174.69 3isf s ASP 4 N -2.61 7.21 0.23 1.64 2.15 -1.26 -4.96 116.67 119.07 3isf s ASP 4 Ca 0.65 2.15 -0.03 0.00 0.43 0.00 0.00 52.55 55.76 3isf s ASP 4 Cb -0.18 -2.61 0.25 0.00 -0.30 0.00 0.00 42.92 40.08 3isf s ASP 4 CO 0.37 -0.25 1.67 0.50 -0.17 0.00 0.00 175.17 177.28 3isf h LYS 5 N 5.00 0.72 -0.03 4.34 3.64 -1.98 -2.01 116.57 126.25 3isf h LYS 5 Ca -0.45 -0.27 -0.15 0.00 -1.27 0.00 0.00 60.65 58.52 3isf h LYS 5 Cb 1.21 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3isf h LYS 5 CO 0.72 0.86 -0.65 0.87 -2.27 0.00 0.00 179.45 178.99 3isf h LYS 6 N 0.64 0.12 -0.17 1.90 1.57 -1.99 -1.44 116.57 117.20 3isf h LYS 6 Ca 0.10 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3isf h LYS 6 Cb 0.68 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 3isf h LYS 6 CO 0.05 0.72 -0.20 0.28 -0.57 0.00 0.00 179.45 179.74 3isf h VAL 7 N 0.08 0.49 -0.99 0.50 2.07 -1.82 0.26 116.25 116.85 3isf h VAL 7 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3isf h VAL 7 Cb 1.16 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3isf h VAL 7 CO 0.09 0.00 0.63 0.40 0.02 0.00 0.00 177.57 178.72 3isf h ILE 8 N -0.23 1.01 -0.57 4.57 2.04 -1.26 0.24 117.51 123.31 3isf h ILE 8 Ca 0.11 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3isf h ILE 8 Cb 0.40 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3isf h ILE 8 CO -0.30 0.20 0.01 1.56 0.00 0.00 0.00 178.15 179.61 3isf h GLN 9 N 1.07 0.98 -0.36 2.37 4.20 -0.75 -0.25 115.11 122.37 3isf h GLN 9 Ca 0.45 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3isf h GLN 9 Cb 0.32 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3isf h GLN 9 CO -0.21 0.96 0.14 0.45 -0.67 0.00 0.00 178.83 179.50 3isf h HIS 10 N 0.90 0.56 -0.77 2.96 3.86 0.79 -1.32 115.15 122.13 3isf h HIS 10 Ca 0.17 -0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3isf h HIS 10 Cb 0.52 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 3isf h HIS 10 CO 0.03 0.52 0.49 -0.07 0.86 0.00 0.00 177.93 179.76 3isf h LEU 11 N 0.44 0.80 -1.20 2.43 3.38 -0.48 -0.51 115.31 120.16 3isf h LEU 11 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3isf h LEU 11 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3isf h LEU 11 CO -0.01 0.55 -0.26 0.78 0.09 0.00 0.00 178.44 179.59 3isf h ASN 12 N 0.94 0.22 -0.33 -0.43 2.35 -0.85 -0.23 115.58 117.26 3isf h ASN 12 Ca 0.31 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.86 3isf h ASN 12 Cb 0.04 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3isf h ASN 12 CO -0.12 0.49 -0.34 0.50 -1.65 0.00 0.00 177.43 176.30 3isf h LYS 13 N 0.20 0.81 -0.46 0.81 3.64 -0.03 0.42 116.57 121.96 3isf h LYS 13 Ca 0.03 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3isf h LYS 13 Cb 0.58 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3isf h LYS 13 CO 0.04 1.07 0.18 0.82 -2.27 0.00 0.00 179.45 179.29 3isf h ILE 14 N 0.59 1.21 -0.43 2.00 1.08 -0.99 -1.50 117.51 119.47 3isf h ILE 14 Ca 0.05 -0.65 0.07 0.00 -0.39 0.00 0.00 64.86 63.94 3isf h ILE 14 Cb 0.93 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 35.40 3isf h ILE 14 CO 0.08 0.24 0.09 0.25 -0.69 0.00 0.00 178.15 178.13 3isf h LEU 15 N 0.60 0.03 -0.73 1.44 5.85 -0.94 0.10 115.31 121.64 3isf h LEU 15 Ca 0.15 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3isf h LEU 15 Cb 0.20 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 3isf h LEU 15 CO -0.01 0.05 0.37 1.23 -0.34 0.00 0.00 178.44 179.73 3isf h GLY 16 N 0.23 1.11 1.03 3.75 0.00 -0.68 0.26 103.07 108.77 3isf h GLY 16 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3isf h GLY 16 CO -0.27 0.05 0.50 3.43 0.00 0.00 0.00 176.54 180.25 3isf h ASN 17 N 0.61 1.13 -0.54 0.19 2.35 -0.38 -2.49 115.58 116.44 3isf h ASN 17 Ca 0.37 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 3isf h ASN 17 Cb 0.41 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3isf h ASN 17 CO -0.28 0.90 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.03 3isf h GLU 18 N 1.27 0.98 -0.69 0.81 4.39 -0.19 -1.04 114.58 120.12 3isf h GLU 18 Ca 0.32 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3isf h GLU 18 Cb 0.02 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 3isf h GLU 18 CO -0.05 1.00 0.42 -0.07 -1.16 0.00 0.00 179.01 179.15 3isf h LEU 19 N 0.86 0.67 0.02 1.33 3.38 -0.33 -0.40 115.31 120.84 3isf h LEU 19 Ca 0.15 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3isf h LEU 19 Cb 0.58 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3isf h LEU 19 CO 0.03 0.45 -0.09 0.40 0.09 0.00 0.00 178.44 179.33 3isf h ILE 20 N 0.80 0.79 -0.81 1.22 2.04 -1.29 -2.96 117.51 117.30 3isf h ILE 20 Ca 0.29 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 3isf h ILE 20 Cb 0.08 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3isf h ILE 20 CO -0.14 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.46 3isf h ALA 21 N 0.81 1.26 -0.06 1.87 0.00 -0.77 0.52 119.26 122.90 3isf h ALA 21 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3isf h ALA 21 Cb 0.19 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3isf h ALA 21 CO -0.08 0.60 -0.19 0.82 0.00 0.00 0.00 179.25 180.41 3isf h ILE 22 N 1.13 0.53 -0.23 0.00 2.04 -1.01 0.04 117.51 120.01 3isf h ILE 22 Ca 0.29 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.94 3isf h ILE 22 Cb 0.02 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3isf h ILE 22 CO -0.05 0.00 -0.65 0.78 0.00 0.00 0.00 178.15 178.23 3isf h ASN 23 N -0.27 0.97 -0.14 1.72 4.21 -1.27 -1.26 115.58 119.54 3isf h ASN 23 Ca 0.08 -0.57 -0.02 0.00 1.21 0.00 0.00 56.30 56.99 3isf h ASN 23 Cb 0.38 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 3isf h ASN 23 CO -0.22 1.38 0.01 -0.61 -1.29 0.00 0.00 177.43 176.70 3isf h GLN 24 N 0.62 0.24 -0.37 0.81 4.15 -0.71 -1.31 115.11 118.53 3isf h GLN 24 Ca -0.02 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.22 3isf h GLN 24 Cb 1.27 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3isf h GLN 24 CO 0.14 0.44 -0.23 1.88 -1.93 0.00 0.00 178.83 179.13 3isf h TYR 25 N -0.00 0.84 -0.82 3.99 0.05 -0.99 -0.68 116.97 119.35 3isf h TYR 25 Ca 0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 3isf h TYR 25 Cb 0.33 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 3isf h TYR 25 CO 0.02 0.90 0.42 0.35 -1.05 0.00 0.00 178.16 178.80 3isf h PHE 26 N 0.65 1.16 -0.16 4.88 3.04 -1.08 0.24 116.94 125.67 3isf h PHE 26 Ca 0.09 -0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 3isf h PHE 26 Cb 0.73 -0.36 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 3isf h PHE 26 CO 0.04 0.83 -0.26 1.25 -2.02 0.00 0.00 178.31 178.14 3isf h LEU 27 N 1.16 0.50 -0.84 0.59 5.85 -1.13 -1.85 115.31 119.58 3isf h LEU 27 Ca 0.28 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3isf h LEU 27 Cb 0.09 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3isf h LEU 27 CO -0.04 0.94 0.52 0.45 -0.34 0.00 0.00 178.44 179.97 3isf h HIS 28 N 0.08 0.96 -0.04 1.25 3.86 -0.87 0.06 115.15 120.45 3isf h HIS 28 Ca 0.01 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3isf h HIS 28 Cb 0.85 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.96 3isf h HIS 28 CO 0.10 0.48 -0.29 1.03 0.86 0.00 0.00 177.93 180.10 3isf h SER 29 N 0.94 -0.88 0.45 2.45 0.87 -0.37 -1.15 113.55 115.86 3isf h SER 29 Ca 0.37 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 3isf h SER 29 Cb 0.19 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3isf h SER 29 CO -0.18 -0.35 -0.11 0.03 -0.53 0.00 0.00 176.83 175.69 3isf h ARG 30 N -0.42 0.00 -0.10 2.24 -0.00 -0.94 -1.43 114.38 113.73 3isf h ARG 30 Ca 0.07 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.43 3isf h ARG 30 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.50 3isf h ARG 30 CO -0.27 0.11 -0.40 0.52 0.00 0.00 0.00 179.97 179.92 3isf h MET 31 N 0.00 0.45 -0.42 0.04 2.86 -0.47 -0.30 114.93 117.09 3isf h MET 31 Ca -0.00 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.33 3isf h MET 31 Cb 0.36 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 3isf h MET 31 CO 0.01 0.98 0.18 -1.49 1.06 0.00 0.00 176.91 177.66 3isf h TRP 32 N 0.02 0.33 -0.18 -0.22 6.55 -0.89 -1.96 115.95 119.60 3isf h TRP 32 Ca -0.02 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.85 3isf h TRP 32 Cb 1.04 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 29.24 3isf h TRP 32 CO 0.12 0.16 0.07 -0.91 -1.05 0.00 0.00 178.44 176.82 3isf h ASN 33 N 0.38 0.09 -0.84 -3.49 -0.26 -1.20 -0.22 115.58 110.03 3isf h ASN 33 Ca 0.18 0.02 0.20 0.00 -0.56 0.00 0.00 56.30 56.14 3isf h ASN 33 Cb 0.12 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.27 3isf h ASN 33 CO -0.15 0.08 0.31 -0.78 -1.06 0.00 0.00 177.43 175.83 3isf h ASP 34 N 0.16 0.21 0.53 5.81 3.58 -0.80 0.23 116.42 126.15 3isf h ASP 34 Ca 0.08 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3isf h ASP 34 Cb 0.04 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3isf h ASP 34 CO -0.07 -0.01 -0.01 0.79 -2.88 0.00 0.00 179.24 177.05 3isf n TRP 35 N -5.09 0.00 -0.87 0.28 8.01 -0.76 -4.89 117.44 114.12 3isf n TRP 35 Ca 0.19 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.38 3isf n TRP 35 Cb 0.58 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 3isf n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3isf n GLY 36 N 1.28 0.46 2.94 6.99 0.00 0.07 -4.96 105.19 111.97 3isf n GLY 36 Ca 0.15 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3isf n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3isf n LEU 37 N 0.00 6.59 0.21 0.99 4.77 -0.19 -4.50 117.00 124.87 3isf n LEU 37 Ca 0.00 -5.20 0.06 0.00 -0.03 0.00 0.00 56.01 50.83 3isf n LEU 37 Cb 0.00 -1.27 0.46 0.00 -2.33 0.00 0.00 43.42 40.28 3isf n LEU 37 CO 0.00 1.73 0.80 0.11 -1.33 0.00 0.00 177.39 178.70 3isf h LYS 38 N 5.29 0.00 -0.11 3.23 1.57 -1.18 -0.55 116.57 124.81 3isf h LYS 38 Ca 0.26 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.84 3isf h LYS 38 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.89 3isf h LYS 38 CO 1.34 0.29 -0.70 -0.09 -0.57 0.00 0.00 179.45 179.72 3isf h ARG 39 N 0.00 0.67 -0.64 3.15 2.43 -1.41 -0.02 114.38 118.57 3isf h ARG 39 Ca -0.00 -0.57 0.01 0.00 -0.81 0.00 0.00 59.98 58.61 3isf h ARG 39 Cb 0.57 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3isf h ARG 39 CO 0.04 1.19 0.41 -0.07 -1.51 0.00 0.00 179.97 180.03 3isf h LEU 40 N 0.34 0.71 -0.25 3.80 3.38 -1.56 -1.61 115.31 120.12 3isf h LEU 40 Ca -0.06 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3isf h LEU 40 Cb 1.34 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 3isf h LEU 40 CO 0.14 0.51 -0.12 1.23 0.09 0.00 0.00 178.44 180.29 3isf h GLY 41 N 0.84 0.09 1.02 0.83 0.00 -1.04 -0.31 103.07 104.50 3isf h GLY 41 Ca 0.24 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.64 3isf h GLY 41 CO -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 176.54 176.35 3isf h ALA 42 N 1.12 0.69 -0.31 3.60 0.00 -0.88 -1.78 119.26 121.71 3isf h ALA 42 Ca 0.13 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3isf h ALA 42 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3isf h ALA 42 CO -0.31 0.49 0.18 1.25 0.00 0.00 0.00 179.25 180.87 3isf h HIS 43 N 0.77 0.34 -0.25 0.00 6.17 -1.00 -2.27 115.15 118.91 3isf h HIS 43 Ca 0.15 0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.14 3isf h HIS 43 Cb 0.50 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.31 3isf h HIS 43 CO 0.04 0.20 -0.29 1.49 0.71 0.00 0.00 177.93 180.08 3isf h GLU 44 N 0.37 0.49 -0.26 5.26 4.57 -0.99 -1.65 114.58 122.38 3isf h GLU 44 Ca 0.12 -0.20 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3isf h GLU 44 Cb -0.00 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3isf h GLU 44 CO -0.06 0.73 0.14 -0.92 -1.18 0.00 0.00 179.01 177.72 3isf h TYR 45 N 0.43 0.25 -0.26 0.92 3.20 -1.02 -0.65 116.97 119.84 3isf h TYR 45 Ca 0.06 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3isf h TYR 45 Cb 0.72 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3isf h TYR 45 CO 0.02 0.15 -0.01 0.45 -1.64 0.00 0.00 178.16 177.13 3isf h HIS 46 N 0.29 0.39 -0.52 -3.82 3.86 -1.02 -0.74 115.15 113.59 3isf h HIS 46 Ca 0.10 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 3isf h HIS 46 Cb 0.02 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3isf h HIS 46 CO -0.09 0.41 0.11 0.93 0.86 0.00 0.00 177.93 180.15 3isf h GLU 47 N 0.37 0.83 -0.36 2.45 4.39 -0.71 -1.18 114.58 120.37 3isf h GLU 47 Ca 0.08 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3isf h GLU 47 Cb 0.27 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3isf h GLU 47 CO 0.01 0.80 0.24 1.03 -1.16 0.00 0.00 179.01 179.93 3isf h SER 48 N 0.72 0.42 -0.92 1.42 0.87 -0.55 -2.27 113.55 113.23 3isf h SER 48 Ca 0.16 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3isf h SER 48 Cb 0.35 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3isf h SER 48 CO 0.00 0.31 0.60 0.40 -0.53 0.00 0.00 176.83 177.62 3isf h ILE 49 N 0.49 1.16 -0.59 2.23 1.08 -0.98 -1.31 117.51 119.59 3isf h ILE 49 Ca 0.13 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 3isf h ILE 49 Cb -0.05 -0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 33.57 3isf h ILE 49 CO -0.03 0.21 0.23 0.44 -0.69 0.00 0.00 178.15 178.31 3isf h ASP 50 N 1.16 0.79 0.50 1.72 3.32 -0.82 -1.64 116.42 121.45 3isf h ASP 50 Ca 0.37 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 3isf h ASP 50 Cb 0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3isf h ASP 50 CO -0.12 0.72 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.10 3isf h GLU 51 N 0.85 0.17 -0.57 3.56 4.39 -0.83 -1.42 114.58 120.73 3isf h GLU 51 Ca 0.20 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.78 3isf h GLU 51 Cb 0.18 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3isf h GLU 51 CO -0.02 0.79 0.36 0.52 -1.16 0.00 0.00 179.01 179.50 3isf h MET 52 N 0.11 0.69 -0.56 2.33 2.86 -0.64 -1.16 114.93 118.56 3isf h MET 52 Ca -0.02 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3isf h MET 52 Cb 1.22 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3isf h MET 52 CO 0.10 0.46 0.09 0.87 1.06 0.00 0.00 176.91 179.49 3isf h LYS 53 N 0.71 0.90 -0.40 1.72 1.57 -1.09 -1.00 116.57 118.98 3isf h LYS 53 Ca 0.22 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3isf h LYS 53 Cb -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3isf h LYS 53 CO -0.08 0.84 0.26 0.45 -0.57 0.00 0.00 179.45 180.35 3isf h HIS 54 N 0.85 0.50 -0.80 -1.35 3.86 -1.01 -2.64 115.15 114.55 3isf h HIS 54 Ca 0.18 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.46 3isf h HIS 54 Cb 0.37 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 3isf h HIS 54 CO 0.02 0.31 0.49 0.00 0.86 0.00 0.00 177.93 179.61 3isf h ALA 55 N 1.15 1.10 -0.13 2.45 0.00 -0.94 -1.62 119.26 121.27 3isf h ALA 55 Ca 0.15 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3isf h ALA 55 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3isf h ALA 55 CO -0.03 0.22 -0.03 0.22 0.00 0.00 0.00 179.25 179.62 3isf h ASP 56 N 0.89 -0.12 -0.96 0.00 3.58 -1.05 0.99 116.42 119.76 3isf h ASP 56 Ca 0.35 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.87 3isf h ASP 56 Cb 0.17 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.25 3isf h ASP 56 CO -0.17 -0.04 0.62 0.11 -2.88 0.00 0.00 179.24 176.88 3isf h LYS 57 N 0.01 1.19 0.01 0.28 1.57 -1.09 -0.44 116.57 118.09 3isf h LYS 57 Ca 0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3isf h LYS 57 Cb 0.10 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3isf h LYS 57 CO -0.13 0.78 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.46 3isf h LEU 58 N 1.22 -0.01 -0.40 2.94 3.38 -0.71 -0.59 115.31 121.14 3isf h LEU 58 Ca 0.38 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3isf h LEU 58 Cb -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3isf h LEU 58 CO -0.11 0.13 -0.06 0.40 0.09 0.00 0.00 178.44 178.89 3isf h ILE 59 N -0.15 0.64 -0.75 1.22 2.04 -0.53 0.17 117.51 120.15 3isf h ILE 59 Ca -0.00 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 3isf h ILE 59 Cb 0.14 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3isf h ILE 59 CO 0.00 0.01 0.24 -0.33 0.00 0.00 0.00 178.15 178.07 3isf h GLU 60 N 0.04 1.17 -0.06 2.37 5.08 -0.87 0.17 114.58 122.48 3isf h GLU 60 Ca 0.19 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3isf h GLU 60 Cb 0.29 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3isf h GLU 60 CO -0.38 0.99 0.03 -0.09 -1.00 0.00 0.00 179.01 178.56 3isf h ARG 61 N 1.12 0.09 -0.88 2.33 9.65 -0.60 -1.55 114.38 124.54 3isf h ARG 61 Ca 0.24 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.13 3isf h ARG 61 Cb 0.30 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.82 3isf h ARG 61 CO -0.01 0.17 0.58 0.82 2.80 0.00 0.00 179.97 184.32 3isf h ILE 62 N -0.02 1.19 -0.51 1.20 2.04 -0.46 -1.42 117.51 119.53 3isf h ILE 62 Ca 0.02 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 3isf h ILE 62 Cb 0.11 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3isf h ILE 62 CO -0.00 0.21 -0.08 -0.07 0.00 0.00 0.00 178.15 178.21 3isf h LEU 63 N 1.16 0.95 -1.40 1.44 4.07 -0.88 -1.29 115.31 119.36 3isf h LEU 63 Ca 0.33 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3isf h LEU 63 Cb -0.08 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.37 3isf h LEU 63 CO -0.09 1.07 0.39 0.15 -1.08 0.00 0.00 178.44 178.89 3isf h PHE 64 N 0.82 0.76 -0.01 1.13 3.57 -0.82 -1.07 116.94 121.31 3isf h PHE 64 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3isf h PHE 64 Cb 0.63 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3isf h PHE 64 CO 0.05 0.48 0.00 1.28 -2.23 0.00 0.00 178.31 177.89 3isf n LEU 65 N -4.44 0.28 -0.02 0.59 4.77 -0.58 -4.85 117.00 112.75 3isf n LEU 65 Ca 0.06 -0.10 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3isf n LEU 65 Cb 0.05 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3isf n LEU 65 CO 0.36 0.05 -0.00 -0.62 -1.33 0.00 0.00 177.39 175.85 3isf n GLU 66 N -0.72 -0.02 -2.93 3.23 4.71 -0.41 -1.49 120.64 123.02 3isf n GLU 66 Ca 0.20 0.39 -0.20 0.00 -0.01 0.00 0.00 57.16 57.54 3isf n GLU 66 Cb 0.14 -3.90 0.07 0.00 -1.01 0.00 0.00 31.44 26.74 3isf n GLU 66 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3isf s GLY 67 N -3.00 1.75 -0.34 0.62 0.00 -0.56 -4.93 107.32 100.86 3isf s GLY 67 Ca 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 44.72 42.61 3isf s GLY 67 CO 0.00 -1.55 0.13 1.08 0.00 0.00 0.00 173.10 172.76 3isf s LEU 68 N -4.77 4.39 0.27 0.66 1.43 -1.26 -4.31 118.68 115.09 3isf s LEU 68 Ca 0.63 -1.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.38 3isf s LEU 68 Cb -0.06 -1.92 -0.12 0.00 0.03 0.00 0.00 46.19 44.13 3isf s LEU 68 CO 0.40 -0.33 1.65 -2.84 0.23 0.00 0.00 176.35 175.46 3isf s PRO 69 N 1.46 4.11 -0.53 1.29 0.02 -1.26 -4.94 135.00 135.16 3isf s PRO 69 Ca -0.00 2.61 -0.17 0.00 0.02 0.00 0.00 61.00 63.46 3isf s PRO 69 Cb -0.19 -3.03 0.09 0.00 0.02 0.00 0.00 34.50 31.39 3isf s PRO 69 CO 0.04 -0.69 0.55 1.21 -0.33 0.00 0.00 177.00 177.78 3isf s ASN 70 N 0.71 6.18 0.00 2.53 3.84 -1.26 -4.89 114.94 122.06 3isf s ASN 70 Ca 0.67 -1.37 0.18 0.00 0.21 0.00 0.00 52.86 52.55 3isf s ASN 70 Cb -0.49 -2.24 0.44 0.00 -0.55 0.00 0.00 41.25 38.41 3isf s ASN 70 CO 0.44 -0.87 1.36 0.18 -2.79 0.00 0.00 177.10 175.42 3isf n LEU 71 N 5.71 3.36 -0.02 3.21 4.32 -1.26 -4.64 117.00 127.67 3isf n LEU 71 Ca -0.11 -1.83 -0.12 0.00 -0.02 0.00 0.00 56.01 53.93 3isf n LEU 71 Cb 0.43 -0.32 -0.14 0.00 -1.62 0.00 0.00 43.42 41.77 3isf n LEU 71 CO 0.53 0.81 -0.65 1.67 -1.22 0.00 0.00 177.39 178.53 3isf n GLN 72 N 1.15 0.67 -3.30 3.23 -0.06 -1.26 -4.85 117.38 112.97 3isf n GLN 72 Ca 0.18 0.27 -0.39 0.00 -2.00 0.00 0.00 57.00 55.06 3isf n GLN 72 Cb 0.53 -1.75 -0.07 0.00 -4.06 0.00 0.00 30.24 24.89 3isf n GLN 72 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3isf s ASP 73 N -6.34 6.58 -0.23 1.69 1.01 -1.26 -5.03 116.67 113.09 3isf s ASP 73 Ca -0.10 0.69 -0.00 0.00 0.71 0.00 0.00 52.55 53.84 3isf s ASP 73 Cb 0.07 -2.28 0.06 0.00 1.01 0.00 0.00 42.92 41.79 3isf s ASP 73 CO 0.81 -0.10 -0.01 -0.22 0.21 0.00 0.00 175.17 175.85 3isf s LEU 74 N 1.23 2.16 0.00 1.23 2.96 -1.26 -4.89 118.68 120.11 3isf s LEU 74 Ca 0.24 -1.12 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 3isf s LEU 74 Cb -0.15 -0.98 0.07 0.00 0.50 0.00 0.00 46.19 45.62 3isf s LEU 74 CO 0.09 -0.27 0.24 0.61 -1.32 0.00 0.00 176.35 175.70 3isf n GLY 75 N 4.79 -2.68 3.66 7.98 0.00 -1.26 -4.94 105.19 112.74 3isf n GLY 75 Ca -0.10 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 3isf n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3isf s LYS 76 N -3.54 4.22 0.07 1.61 2.47 -1.26 -4.90 119.74 118.40 3isf s LYS 76 Ca 0.16 1.67 -0.31 0.00 -1.56 0.00 0.00 55.97 55.93 3isf s LYS 76 Cb -0.02 -3.78 -0.07 0.00 -1.46 0.00 0.00 37.83 32.50 3isf s LYS 76 CO 0.12 -0.73 1.37 -0.51 0.16 0.00 0.00 175.35 175.77 3isf s LEU 77 N 3.56 4.35 -0.68 5.43 1.02 -1.26 -5.02 118.68 126.09 3isf s LEU 77 Ca 0.56 2.23 -0.21 0.00 0.02 0.00 0.00 54.13 56.72 3isf s LEU 77 Cb -0.22 -3.58 0.09 0.00 0.02 0.00 0.00 46.19 42.50 3isf s LEU 77 CO 0.16 -0.65 0.93 -0.76 0.02 0.00 0.00 176.35 176.04 3isf s LEU 78 N 1.51 4.70 -0.19 1.79 1.43 -1.26 -5.05 118.68 121.61 3isf s LEU 78 Ca 0.64 -1.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 3isf s LEU 78 Cb -0.34 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3isf s LEU 78 CO 0.29 -1.32 0.04 -0.63 0.23 0.00 0.00 176.35 174.96 3isf s ILE 79 N 3.57 4.46 0.53 -0.59 -1.09 -1.26 -4.72 121.20 122.10 3isf s ILE 79 Ca 0.21 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 3isf s ILE 79 Cb -0.17 -3.02 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 3isf s ILE 79 CO 0.07 0.43 0.78 -0.83 -1.23 0.00 0.00 174.94 174.16 3isf s GLY 80 N 0.70 1.66 0.00 6.18 0.00 -1.26 -4.98 107.32 109.63 3isf s GLY 80 Ca 0.02 -1.04 0.09 0.00 0.00 0.00 0.00 44.72 43.79 3isf s GLY 80 CO 0.02 -0.79 0.42 -2.21 0.00 0.00 0.00 173.10 170.54 3isf n GLU 81 N -2.35 3.71 -4.03 2.90 4.07 -1.26 -4.76 120.64 118.92 3isf n GLU 81 Ca 0.05 -0.07 -0.13 0.00 -0.06 0.00 0.00 57.16 56.94 3isf n GLU 81 Cb 0.58 -0.96 -0.03 0.00 -0.06 0.00 0.00 31.44 30.98 3isf n GLU 81 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3isf s ASN 82 N -1.82 0.64 0.13 4.31 2.20 -1.26 -5.04 114.94 114.10 3isf s ASN 82 Ca 0.04 -1.36 -0.18 0.00 -0.94 0.00 0.00 52.86 50.42 3isf s ASN 82 Cb 0.07 0.69 -0.04 0.00 -2.00 0.00 0.00 41.25 39.97 3isf s ASN 82 CO 0.37 -1.34 1.76 0.74 -2.94 0.00 0.00 177.10 175.68 3isf h THR 83 N 2.11 1.10 -0.65 0.54 2.02 -1.99 0.19 112.91 116.24 3isf h THR 83 Ca -0.29 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 66.72 3isf h THR 83 Cb 1.24 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 3isf h THR 83 CO 0.39 0.10 0.33 -0.61 0.37 0.00 0.00 175.52 176.09 3isf h GLN 84 N 0.37 0.57 -0.03 6.66 4.15 -1.99 -1.35 115.11 123.49 3isf h GLN 84 Ca 0.11 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.28 3isf h GLN 84 Cb 0.01 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3isf h GLN 84 CO -0.02 0.38 -0.88 0.93 -1.93 0.00 0.00 178.83 177.31 3isf h GLU 85 N 0.59 0.43 -0.39 1.69 5.08 -1.75 -1.77 114.58 118.46 3isf h GLU 85 Ca 0.30 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3isf h GLU 85 Cb 0.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3isf h GLU 85 CO -0.22 1.08 0.20 0.52 -1.00 0.00 0.00 179.01 179.59 3isf h MET 86 N 0.26 0.55 -0.44 2.33 2.86 -0.23 0.14 114.93 120.40 3isf h MET 86 Ca -0.07 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3isf h MET 86 Cb 1.50 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.04 3isf h MET 86 CO 0.15 0.47 0.23 -0.07 1.06 0.00 0.00 176.91 178.76 3isf h LEU 87 N 0.49 0.55 -0.99 1.22 3.38 -1.19 -1.89 115.31 116.89 3isf h LEU 87 Ca 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3isf h LEU 87 Cb 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3isf h LEU 87 CO -0.02 0.49 0.37 -0.61 0.09 0.00 0.00 178.44 178.76 3isf h GLN 88 N 0.57 1.09 -0.65 1.13 5.75 -1.00 -1.05 115.11 120.94 3isf h GLN 88 Ca 0.15 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 3isf h GLN 88 Cb 0.07 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3isf h GLN 88 CO -0.02 0.83 0.09 0.00 -2.65 0.00 0.00 178.83 177.08 3isf h ASP 90 N 1.01 0.64 -0.50 0.00 3.32 -1.08 -1.57 116.42 118.24 3isf h ASP 90 Ca 0.20 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3isf h ASP 90 Cb 0.46 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3isf h ASP 90 CO 0.02 0.61 0.27 0.25 -1.72 0.00 0.00 179.24 178.67 3isf h LEU 91 N 0.63 0.64 -0.98 1.55 5.85 -0.83 -0.16 115.31 122.01 3isf h LEU 91 Ca 0.16 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3isf h LEU 91 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3isf h LEU 91 CO -0.02 0.55 0.06 0.78 -0.34 0.00 0.00 178.44 179.48 3isf h ASN 92 N 0.67 0.76 -0.53 1.25 2.35 -0.97 0.37 115.58 119.48 3isf h ASN 92 Ca 0.18 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3isf h ASN 92 Cb 0.06 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3isf h ASN 92 CO -0.03 0.79 0.06 0.25 -1.65 0.00 0.00 177.43 176.85 3isf h LEU 93 N 0.76 0.87 -0.71 1.61 5.85 -0.85 -2.70 115.31 120.14 3isf h LEU 93 Ca 0.16 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 3isf h LEU 93 Cb 0.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3isf h LEU 93 CO 0.01 0.93 -0.63 -0.33 -0.34 0.00 0.00 178.44 178.08 3isf h GLU 94 N 0.78 0.00 -0.45 1.25 4.39 -0.21 -1.20 114.58 119.13 3isf h GLU 94 Ca 0.16 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3isf h GLU 94 Cb 0.45 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3isf h GLU 94 CO 0.02 0.63 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.41 3isf h LEU 95 N 0.00 0.72 -0.10 1.33 3.38 -0.85 -2.18 115.31 117.62 3isf h LEU 95 Ca -0.01 -0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.55 3isf h LEU 95 Cb 1.13 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.71 3isf h LEU 95 CO 0.08 0.80 -0.88 0.50 0.09 0.00 0.00 178.44 179.03 3isf h LYS 96 N 0.70 0.77 -0.60 1.13 1.63 -1.30 -2.73 116.57 116.17 3isf h LYS 96 Ca 0.14 -0.70 0.11 0.00 -0.85 0.00 0.00 60.65 59.35 3isf h LYS 96 Cb 0.46 0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.17 3isf h LYS 96 CO 0.02 1.29 0.10 0.00 -3.45 0.00 0.00 179.45 177.41 3isf h ALA 97 N 0.49 0.69 -0.13 5.00 0.00 -1.13 -1.11 119.26 123.07 3isf h ALA 97 Ca -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3isf h ALA 97 Cb 1.52 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3isf h ALA 97 CO 0.18 -0.33 0.02 1.15 0.00 0.00 0.00 179.25 180.28 3isf h THR 98 N 0.23 1.21 -0.57 0.00 2.02 -1.46 -0.34 112.91 114.00 3isf h THR 98 Ca 0.31 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.88 3isf h THR 98 Cb 0.48 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 3isf h THR 98 CO -0.42 0.20 0.29 0.50 0.37 0.00 0.00 175.52 176.46 3isf h LYS 99 N -0.01 0.53 0.00 6.66 3.64 -1.15 -1.46 116.57 124.79 3isf h LYS 99 Ca 0.04 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3isf h LYS 99 Cb 0.28 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3isf h LYS 99 CO 0.00 0.35 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.77 3isf h ASP 100 N 0.55 0.00 -0.29 4.20 3.32 -0.92 -2.75 116.42 120.53 3isf h ASP 100 Ca 0.26 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 3isf h ASP 100 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3isf h ASP 100 CO -0.18 0.33 -0.52 -0.07 -1.72 0.00 0.00 179.24 177.07 3isf h LEU 101 N 0.00 0.98 -0.37 1.55 -0.00 -0.25 -1.50 115.31 115.71 3isf h LEU 101 Ca -0.00 -0.51 -0.00 0.00 -0.00 0.00 0.00 57.88 57.36 3isf h LEU 101 Cb 0.60 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 3isf h LEU 101 CO 0.04 1.31 0.21 0.03 -0.00 0.00 0.00 178.44 180.04 3isf h ARG 102 N 0.68 0.51 -0.65 1.13 3.08 -1.17 0.06 114.38 118.02 3isf h ARG 102 Ca 0.02 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3isf h ARG 102 Cb 1.13 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 3isf h ARG 102 CO 0.12 0.40 0.20 0.93 -1.07 0.00 0.00 179.97 180.55 3isf h GLU 103 N 0.48 0.99 -0.53 0.04 5.08 -1.42 -0.60 114.58 118.62 3isf h GLU 103 Ca 0.13 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3isf h GLU 103 Cb 0.03 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3isf h GLU 103 CO -0.02 0.85 -0.06 0.00 -1.00 0.00 0.00 179.01 178.78 3isf h ALA 104 N 1.26 0.90 -0.39 3.43 0.00 -0.98 -2.60 119.26 120.88 3isf h ALA 104 Ca 0.21 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3isf h ALA 104 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3isf h ALA 104 CO -0.01 0.64 -0.07 0.82 0.00 0.00 0.00 179.25 180.64 3isf h ILE 105 N 0.85 1.27 -0.71 0.00 2.04 -0.41 -1.74 117.51 118.81 3isf h ILE 105 Ca 0.15 -1.13 0.16 0.00 1.00 0.00 0.00 64.86 65.04 3isf h ILE 105 Cb 0.58 1.22 -0.12 0.00 -0.74 0.00 0.00 36.82 37.76 3isf h ILE 105 CO 0.04 0.38 0.04 0.58 0.00 0.00 0.00 178.15 179.18 3isf h VAL 106 N 0.54 0.41 -0.43 1.67 2.07 -1.02 -1.44 116.25 118.05 3isf h VAL 106 Ca 0.10 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 3isf h VAL 106 Cb 0.57 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3isf h VAL 106 CO 0.03 0.02 -0.25 -0.74 0.02 0.00 0.00 177.57 176.65 3isf h HIS 107 N 0.14 1.09 -0.98 1.57 -0.00 -1.15 -2.10 115.15 113.72 3isf h HIS 107 Ca 0.39 -0.28 0.05 0.00 -0.00 0.00 0.00 60.37 60.53 3isf h HIS 107 Cb 0.67 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.77 3isf h HIS 107 CO -0.38 1.10 0.64 0.00 -0.00 0.00 0.00 177.93 179.29 3isf h GLU 109 N 1.18 0.76 -0.34 0.00 4.57 -1.10 0.37 114.58 120.03 3isf h GLU 109 Ca 0.41 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3isf h GLU 109 Cb 0.11 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3isf h GLU 109 CO -0.15 0.85 0.19 0.37 -1.18 0.00 0.00 179.01 179.09 3isf h GLN 110 N 0.59 0.46 -0.58 1.92 4.15 -0.84 -2.45 115.11 118.36 3isf h GLN 110 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3isf h GLN 110 Cb 0.52 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3isf h GLN 110 CO 0.03 0.37 0.00 1.33 -1.93 0.00 0.00 178.83 178.63 3isf n VAL 111 N -4.80 1.11 -2.11 2.39 0.24 -0.78 -4.94 118.33 109.44 3isf n VAL 111 Ca -0.01 -0.79 -0.12 0.00 -2.04 0.00 0.00 64.34 61.38 3isf n VAL 111 Cb 0.07 0.11 -0.01 0.00 -1.47 0.00 0.00 33.84 32.54 3isf n VAL 111 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3isf n HIS 112 N 0.82 -0.50 -2.93 6.34 8.25 -0.03 -4.93 115.22 122.24 3isf n HIS 112 Ca 0.18 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.20 3isf n HIS 112 Cb 0.60 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 29.06 3isf n HIS 112 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3isf n ASP 113 N -0.25 5.29 0.16 0.41 -0.08 0.11 -4.81 116.55 117.37 3isf n ASP 113 Ca -0.14 -3.01 0.00 0.00 -1.51 0.00 0.00 54.79 50.13 3isf n ASP 113 Cb 0.58 -1.52 0.27 0.00 2.34 0.00 0.00 41.12 42.78 3isf n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3isf h TYR 114 N 6.84 0.02 -0.23 -0.67 0.05 -1.92 -1.57 116.97 119.50 3isf h TYR 114 Ca 0.30 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 59.01 3isf h TYR 114 Cb 0.83 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 3isf h TYR 114 CO 1.07 0.50 -0.12 0.28 -1.05 0.00 0.00 178.16 178.83 3isf h VAL 115 N 0.02 1.30 -0.87 -2.88 2.07 -1.97 -1.24 116.25 112.68 3isf h VAL 115 Ca -0.00 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.32 3isf h VAL 115 Cb 0.86 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3isf h VAL 115 CO 0.06 0.37 0.57 0.28 0.02 0.00 0.00 177.57 178.87 3isf h SER 116 N 0.19 1.01 -0.48 0.57 0.02 -1.95 -1.09 113.55 111.82 3isf h SER 116 Ca 0.05 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3isf h SER 116 Cb 0.62 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3isf h SER 116 CO 0.04 0.73 0.24 -0.09 -1.14 0.00 0.00 176.83 176.61 3isf h ARG 117 N 1.18 0.47 -0.54 3.45 2.43 -1.13 -1.67 114.38 118.58 3isf h ARG 117 Ca 0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3isf h ARG 117 Cb -0.13 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3isf h ARG 117 CO -0.07 0.31 0.29 0.22 -1.51 0.00 0.00 179.97 179.21 3isf h ASP 118 N 0.48 0.67 -0.79 -3.80 3.58 -0.52 0.18 116.42 116.22 3isf h ASP 118 Ca 0.21 -0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.64 3isf h ASP 118 Cb 0.11 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 40.93 3isf h ASP 118 CO -0.14 0.58 0.46 0.25 -2.88 0.00 0.00 179.24 177.50 3isf h LEU 119 N 0.72 0.69 -0.24 2.28 6.46 -0.93 -1.47 115.31 122.82 3isf h LEU 119 Ca 0.19 0.03 -0.21 0.00 -0.12 0.00 0.00 57.88 57.77 3isf h LEU 119 Cb 0.05 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 3isf h LEU 119 CO -0.03 0.42 -0.90 -0.07 -0.62 0.00 0.00 178.44 177.24 3isf h LEU 120 N 0.81 0.42 -1.27 2.25 3.38 -0.72 -1.90 115.31 118.29 3isf h LEU 120 Ca 0.37 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3isf h LEU 120 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3isf h LEU 120 CO -0.21 1.12 0.11 0.50 0.09 0.00 0.00 178.44 180.05 3isf h LYS 121 N 0.19 0.61 -0.28 1.13 3.64 -0.71 0.07 116.57 121.22 3isf h LYS 121 Ca -0.06 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 3isf h LYS 121 Cb 1.52 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3isf h LYS 121 CO 0.15 0.55 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.06 3isf h ASP 122 N 0.60 0.81 -0.87 4.20 3.32 -0.88 -0.76 116.42 122.83 3isf h ASP 122 Ca 0.14 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.76 3isf h ASP 122 Cb 0.21 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 3isf h ASP 122 CO -0.01 1.16 0.54 0.40 -1.72 0.00 0.00 179.24 179.61 3isf h ILE 123 N 0.49 1.00 -0.56 0.35 2.04 -1.11 -2.21 117.51 117.52 3isf h ILE 123 Ca 0.03 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3isf h ILE 123 Cb 0.97 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3isf h ILE 123 CO 0.09 0.17 0.15 0.25 0.00 0.00 0.00 178.15 178.81 3isf h LEU 124 N 0.95 0.84 -0.65 1.44 5.85 -0.45 0.12 115.31 123.40 3isf h LEU 124 Ca 0.39 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3isf h LEU 124 Cb 0.24 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3isf h LEU 124 CO -0.20 0.84 0.40 -0.08 -0.34 0.00 0.00 178.44 179.06 3isf h GLU 125 N 0.79 0.76 -0.71 1.25 4.81 -0.88 0.11 114.58 120.71 3isf h GLU 125 Ca 0.18 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3isf h GLU 125 Cb 0.32 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3isf h GLU 125 CO -0.00 0.50 0.19 0.77 -0.73 0.00 0.00 179.01 179.74 3isf h SER 126 N 0.78 1.05 -0.28 1.04 0.02 -0.69 -1.70 113.55 113.77 3isf h SER 126 Ca 0.27 -0.21 -0.18 0.00 -0.84 0.00 0.00 61.79 60.82 3isf h SER 126 Cb 0.03 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3isf h SER 126 CO -0.11 1.00 -0.52 -0.33 -1.14 0.00 0.00 176.83 175.72 3isf h GLU 127 N 1.06 0.87 -0.58 3.45 4.39 -0.21 -1.96 114.58 121.61 3isf h GLU 127 Ca 0.23 -0.54 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 3isf h GLU 127 Cb 0.34 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3isf h GLU 127 CO -0.00 1.17 0.28 0.93 -1.16 0.00 0.00 179.01 180.24 3isf h GLU 128 N 0.67 0.81 -0.72 2.33 5.08 -0.64 -0.22 114.58 121.89 3isf h GLU 128 Ca 0.02 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3isf h GLU 128 Cb 1.13 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 3isf h GLU 128 CO 0.12 0.62 0.48 0.93 -1.00 0.00 0.00 179.01 180.15 3isf h GLU 129 N 0.81 0.95 -0.75 2.33 5.08 -1.09 -1.43 114.58 120.48 3isf h GLU 129 Ca 0.20 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3isf h GLU 129 Cb 0.07 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3isf h GLU 129 CO -0.03 0.64 0.32 1.25 -1.00 0.00 0.00 179.01 180.19 3isf h HIS 130 N 0.98 1.13 -0.82 4.33 2.76 -0.49 -1.74 115.15 121.29 3isf h HIS 130 Ca 0.26 -0.08 0.08 0.00 -2.20 0.00 0.00 60.37 58.43 3isf h HIS 130 Cb -0.11 -0.34 -0.07 0.00 1.55 0.00 0.00 27.41 28.45 3isf h HIS 130 CO -0.02 0.85 0.49 0.82 -1.30 0.00 0.00 177.93 178.77 3isf h ILE 131 N 1.08 0.97 -0.11 6.26 2.04 -0.70 0.18 117.51 127.23 3isf h ILE 131 Ca 0.25 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3isf h ILE 131 Cb 0.19 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3isf h ILE 131 CO -0.02 0.16 0.06 -0.78 0.00 0.00 0.00 178.15 177.56 3isf h ASP 132 N 0.86 0.14 -0.79 1.72 3.58 -0.98 0.32 116.42 121.27 3isf h ASP 132 Ca 0.38 -0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.83 3isf h ASP 132 Cb 0.26 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.21 3isf h ASP 132 CO -0.21 0.19 0.44 0.22 -2.88 0.00 0.00 179.24 177.00 3isf h TYR 133 N 0.09 0.81 0.29 0.28 3.20 -0.53 -0.97 116.97 120.14 3isf h TYR 133 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3isf h TYR 133 Cb 0.08 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.11 3isf h TYR 133 CO -0.04 0.34 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.60 3isf h LEU 134 N 0.76 -0.33 -1.21 2.82 -0.00 -0.12 -0.63 115.31 116.59 3isf h LEU 134 Ca 0.38 -0.19 0.13 0.00 -0.00 0.00 0.00 57.88 58.20 3isf h LEU 134 Cb 0.33 0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 41.00 3isf h LEU 134 CO -0.24 0.05 0.59 -0.33 -0.00 0.00 0.00 178.44 178.50 3isf h GLU 135 N -0.75 0.77 -0.35 1.13 5.08 -0.34 -1.72 114.58 118.40 3isf h GLU 135 Ca -0.04 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3isf h GLU 135 Cb 0.50 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3isf h GLU 135 CO 0.07 0.51 -0.13 1.15 -1.00 0.00 0.00 179.01 179.61 3isf h THR 136 N 0.79 1.28 -0.68 1.13 2.02 -0.97 -1.19 112.91 115.29 3isf h THR 136 Ca 0.45 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 3isf h THR 136 Cb 0.62 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3isf h THR 136 CO -0.22 0.40 0.29 1.56 0.37 0.00 0.00 175.52 177.93 3isf h GLN 137 N 0.48 1.00 -0.79 6.66 1.08 -0.23 -1.04 115.11 122.28 3isf h GLN 137 Ca 0.08 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 3isf h GLN 137 Cb 0.65 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 3isf h GLN 137 CO 0.04 0.81 0.42 -0.07 -0.95 0.00 0.00 178.83 179.09 3isf h LEU 138 N 0.95 0.99 -1.10 1.46 -0.00 -1.34 -0.13 115.31 116.14 3isf h LEU 138 Ca 0.23 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.95 3isf h LEU 138 Cb 0.17 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 3isf h LEU 138 CO -0.02 0.81 0.07 1.23 -0.00 0.00 0.00 178.44 180.53 3isf h GLY 139 N 1.09 0.75 1.37 0.83 0.00 -0.87 -2.57 103.07 103.67 3isf h GLY 139 Ca 0.28 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 3isf h GLY 139 CO -0.04 0.41 -0.24 1.41 0.00 0.00 0.00 176.54 178.09 3isf h LEU 140 N 0.67 0.74 -0.41 3.11 3.38 -0.74 0.24 115.31 122.30 3isf h LEU 140 Ca 0.15 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3isf h LEU 140 Cb 0.32 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3isf h LEU 140 CO 0.01 0.95 0.07 0.40 0.09 0.00 0.00 178.44 179.96 3isf h ILE 141 N 0.63 0.77 0.04 1.22 2.04 -0.66 -1.38 117.51 120.18 3isf h ILE 141 Ca 0.09 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3isf h ILE 141 Cb 0.73 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3isf h ILE 141 CO 0.06 0.04 -0.02 1.56 0.00 0.00 0.00 178.15 179.78 3isf h GLN 142 N 0.20 -0.05 -0.53 2.37 1.08 -1.09 -1.09 115.11 115.99 3isf h GLN 142 Ca 0.20 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 3isf h GLN 142 Cb 0.25 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3isf h GLN 142 CO -0.28 0.08 0.22 0.87 -0.95 0.00 0.00 178.83 178.77 3isf h LYS 143 N -0.16 0.79 0.00 1.46 1.57 -0.77 -3.32 116.57 116.13 3isf h LYS 143 Ca -0.01 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3isf h LYS 143 Cb 0.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3isf h LYS 143 CO 0.01 0.69 -0.82 1.33 -0.57 0.00 0.00 179.45 180.08 3isf n VAL 144 N -4.53 0.00 0.00 0.50 0.24 -0.53 -5.09 118.33 108.91 3isf n VAL 144 Ca 0.02 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3isf n VAL 144 Cb 0.15 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 3isf n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3isf n GLY 145 N 1.40 -0.56 0.14 7.63 0.00 -0.41 -4.44 105.19 108.94 3isf n GLY 145 Ca 0.03 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3isf n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3isf h LEU 146 N 0.00 0.36 -0.67 0.99 5.85 -1.90 -0.96 115.31 118.98 3isf h LEU 146 Ca 0.00 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.48 3isf h LEU 146 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3isf h LEU 146 CO 0.00 0.55 0.41 -0.33 -0.34 0.00 0.00 178.44 178.73 3isf h GLU 147 N 0.16 0.78 -0.31 1.25 5.08 -1.93 -0.84 114.58 118.76 3isf h GLU 147 Ca 0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3isf h GLU 147 Cb 0.35 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3isf h GLU 147 CO 0.01 0.52 0.16 -0.91 -1.00 0.00 0.00 179.01 177.78 3isf h ASN 148 N 0.80 0.40 -0.36 1.42 2.35 -1.74 -0.80 115.58 117.66 3isf h ASN 148 Ca 0.27 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3isf h ASN 148 Cb 0.04 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3isf h ASN 148 CO -0.11 0.40 0.21 0.22 -1.65 0.00 0.00 177.43 176.50 3isf h TYR 149 N 0.37 0.39 -0.59 1.19 3.20 -0.95 -0.37 116.97 120.23 3isf h TYR 149 Ca 0.11 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3isf h TYR 149 Cb 0.10 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3isf h TYR 149 CO -0.02 0.23 0.25 -0.07 -1.64 0.00 0.00 178.16 176.90 3isf h LEU 150 N 0.43 0.80 -1.10 2.82 3.38 -1.06 -2.85 115.31 117.73 3isf h LEU 150 Ca 0.14 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3isf h LEU 150 Cb 0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 3isf h LEU 150 CO -0.07 0.74 0.61 -0.61 0.09 0.00 0.00 178.44 179.20 3isf h GLN 151 N 0.81 0.92 0.00 1.13 4.15 -0.58 0.83 115.11 122.37 3isf h GLN 151 Ca 0.20 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3isf h GLN 151 Cb 0.18 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3isf h GLN 151 CO -0.02 0.61 0.00 0.43 -1.93 0.00 0.00 178.83 177.92 3isf n SER 152 N -4.57 0.00 -0.21 -0.69 7.64 -0.20 -2.74 113.62 112.84 3isf n SER 152 Ca 0.17 -0.04 0.03 0.00 1.01 0.00 0.00 58.87 60.05 3isf n SER 152 Cb 0.34 -0.27 0.07 0.00 -1.01 0.00 0.00 64.21 63.35 3isf n SER 152 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3isf n HIS 153 N -1.27 0.17 -0.03 1.43 8.25 0.27 -4.70 115.22 119.34 3isf n HIS 153 Ca 0.10 -0.61 -0.14 0.00 -0.26 0.00 0.00 57.72 56.81 3isf n HIS 153 Cb 0.15 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 3isf n HIS 153 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3isf h MET 154 N 0.57 0.11 -5.48 -0.41 2.07 -1.31 -1.50 114.93 108.98 3isf h MET 154 Ca 0.00 -0.09 -0.64 0.00 -2.07 0.00 0.00 59.70 56.90 3isf h MET 154 Cb 0.70 0.02 -0.10 0.00 -1.87 0.00 0.00 31.60 30.35 3isf h MET 154 CO 0.02 0.74 -0.49 -1.01 1.07 0.00 0.00 176.91 177.24 3isf s HIS 155 N -3.59 3.50 -1.87 -0.22 3.76 -1.26 -2.29 115.29 113.31 3isf s HIS 155 Ca -0.16 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3isf s HIS 155 Cb 0.01 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3isf s HIS 155 CO 0.71 0.53 0.47 0.39 -0.85 0.00 0.00 174.74 175.98