#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 2.58 0.23 3.14 0.00 0.01 -5.01 107.32 108.27 3isf s GLY 3 Ca 0.00 0.74 -0.31 0.00 0.00 0.00 0.00 44.72 45.15 3isf s GLY 3 CO 0.00 1.08 1.55 -0.35 0.00 0.00 0.00 173.10 175.38 3isf s ASP 4 N -1.87 6.53 0.22 1.64 2.15 -1.26 -4.94 116.67 119.13 3isf s ASP 4 Ca 0.71 2.75 -0.07 0.00 0.43 0.00 0.00 52.55 56.37 3isf s ASP 4 Cb -0.21 -2.62 0.18 0.00 -0.30 0.00 0.00 42.92 39.98 3isf s ASP 4 CO 0.25 -0.82 1.76 0.50 -0.17 0.00 0.00 175.17 176.68 3isf h LYS 5 N 5.63 1.11 0.00 4.34 3.64 -1.98 -1.95 116.57 127.37 3isf h LYS 5 Ca -0.45 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 58.63 3isf h LYS 5 Cb 1.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3isf h LYS 5 CO 0.84 0.95 -0.31 -0.22 -2.27 0.00 0.00 179.45 178.43 3isf h LYS 6 N 1.07 0.00 -0.16 1.90 3.64 -1.99 -1.66 116.57 119.37 3isf h LYS 6 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3isf h LYS 6 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3isf h LYS 6 CO -0.01 0.31 0.07 0.28 -2.27 0.00 0.00 179.45 177.84 3isf h VAL 7 N 0.00 1.13 -0.86 2.00 2.07 -1.80 -0.05 116.25 118.75 3isf h VAL 7 Ca -0.00 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.18 3isf h VAL 7 Cb 1.21 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 3isf h VAL 7 CO 0.04 0.12 0.56 0.40 0.02 0.00 0.00 177.57 178.72 3isf h ILE 8 N 0.12 1.10 -0.36 4.57 2.04 -1.21 0.19 117.51 123.97 3isf h ILE 8 Ca 0.05 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3isf h ILE 8 Cb 0.13 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3isf h ILE 8 CO -0.01 0.19 -0.04 1.56 0.00 0.00 0.00 178.15 179.85 3isf h GLN 9 N 1.02 0.67 -0.53 2.37 4.20 -1.16 -0.18 115.11 121.49 3isf h GLN 9 Ca 0.35 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3isf h GLN 9 Cb 0.11 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3isf h GLN 9 CO -0.12 0.80 0.32 0.45 -0.67 0.00 0.00 178.83 179.61 3isf h HIS 10 N 0.47 0.60 -0.55 2.96 3.86 -0.26 -1.43 115.15 120.79 3isf h HIS 10 Ca 0.10 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 3isf h HIS 10 Cb 0.52 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3isf h HIS 10 CO 0.04 0.34 0.15 -0.07 0.86 0.00 0.00 177.93 179.25 3isf h LEU 11 N 0.64 0.83 -1.63 2.43 3.38 -0.38 -0.92 115.31 119.66 3isf h LEU 11 Ca 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3isf h LEU 11 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3isf h LEU 11 CO -0.10 0.83 0.00 0.78 0.09 0.00 0.00 178.44 180.05 3isf h ASN 12 N 0.78 0.21 -0.17 -0.43 2.35 -0.97 -0.06 115.58 117.28 3isf h ASN 12 Ca 0.18 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 3isf h ASN 12 Cb 0.32 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3isf h ASN 12 CO -0.00 0.26 -0.38 0.50 -1.65 0.00 0.00 177.43 176.16 3isf h LYS 13 N 0.23 0.56 -0.54 0.81 3.64 -0.31 0.21 116.57 121.17 3isf h LYS 13 Ca 0.06 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3isf h LYS 13 Cb 0.16 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3isf h LYS 13 CO 0.00 0.99 0.24 0.82 -2.27 0.00 0.00 179.45 179.23 3isf h ILE 14 N 0.21 1.21 -0.47 2.00 1.08 -1.01 -1.79 117.51 118.74 3isf h ILE 14 Ca 0.00 -0.63 0.07 0.00 -0.39 0.00 0.00 64.86 63.92 3isf h ILE 14 Cb 0.98 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.29 3isf h ILE 14 CO 0.08 0.25 0.12 0.25 -0.69 0.00 0.00 178.15 178.16 3isf h LEU 15 N 0.73 0.06 -0.92 1.44 5.85 -0.89 -0.89 115.31 120.68 3isf h LEU 15 Ca 0.18 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3isf h LEU 15 Cb 0.16 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3isf h LEU 15 CO -0.02 0.06 0.57 1.23 -0.34 0.00 0.00 178.44 179.94 3isf h GLY 16 N 0.26 1.45 1.02 3.75 0.00 -0.25 -0.50 103.07 108.81 3isf h GLY 16 Ca 0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3isf h GLY 16 CO -0.28 0.19 0.40 3.43 0.00 0.00 0.00 176.54 180.28 3isf h ASN 17 N 0.95 1.03 -0.32 0.19 2.35 -0.45 -2.39 115.58 116.94 3isf h ASN 17 Ca 0.44 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.96 3isf h ASN 17 Cb 0.35 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3isf h ASN 17 CO -0.23 0.86 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.91 3isf h GLU 18 N 1.12 0.78 -0.54 0.81 4.39 -0.70 -2.02 114.58 118.43 3isf h GLU 18 Ca 0.28 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3isf h GLU 18 Cb 0.10 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3isf h GLU 18 CO -0.04 0.90 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.58 3isf h LEU 19 N 0.70 0.96 0.25 1.33 3.38 -0.90 -0.04 115.31 120.98 3isf h LEU 19 Ca 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3isf h LEU 19 Cb 0.67 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3isf h LEU 19 CO 0.05 1.04 -0.12 0.40 0.09 0.00 0.00 178.44 179.90 3isf h ILE 20 N 0.88 0.76 -0.56 1.22 2.04 -1.33 -3.17 117.51 117.36 3isf h ILE 20 Ca 0.15 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.05 3isf h ILE 20 Cb 0.59 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3isf h ILE 20 CO 0.04 0.01 0.24 0.00 0.00 0.00 0.00 178.15 178.43 3isf h ALA 21 N 0.41 0.71 -0.33 1.87 0.00 -1.09 -0.83 119.26 120.01 3isf h ALA 21 Ca -0.03 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3isf h ALA 21 Cb 0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3isf h ALA 21 CO 0.06 -0.15 -0.37 0.82 0.00 0.00 0.00 179.25 179.60 3isf h ILE 22 N 0.45 0.18 -0.54 0.00 2.04 -1.05 0.36 117.51 118.95 3isf h ILE 22 Ca 0.27 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.03 3isf h ILE 22 Cb 0.26 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3isf h ILE 22 CO -0.24 0.00 -0.03 0.78 0.00 0.00 0.00 178.15 178.67 3isf h ASN 23 N -0.33 0.97 -0.14 1.72 4.21 -1.47 -1.08 115.58 119.46 3isf h ASN 23 Ca 0.14 -0.32 -0.02 0.00 1.21 0.00 0.00 56.30 57.31 3isf h ASN 23 Cb 0.57 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.50 3isf h ASN 23 CO -0.51 1.05 -0.01 -0.61 -1.29 0.00 0.00 177.43 176.07 3isf h GLN 24 N 0.86 0.25 -0.54 0.81 4.15 -0.80 -0.78 115.11 119.05 3isf h GLN 24 Ca 0.15 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3isf h GLN 24 Cb 0.57 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 3isf h GLN 24 CO 0.03 0.49 0.06 1.88 -1.93 0.00 0.00 178.83 179.37 3isf h TYR 25 N -0.02 0.92 -0.16 3.99 0.05 -0.94 -0.78 116.97 120.01 3isf h TYR 25 Ca 0.04 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 3isf h TYR 25 Cb 0.39 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 3isf h TYR 25 CO 0.04 0.80 -0.14 0.35 -1.05 0.00 0.00 178.16 178.16 3isf h PHE 26 N 0.82 0.46 -0.63 4.88 3.04 -1.00 0.27 116.94 124.77 3isf h PHE 26 Ca 0.17 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 3isf h PHE 26 Cb 0.40 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 3isf h PHE 26 CO 0.02 0.75 0.40 1.25 -2.02 0.00 0.00 178.31 178.71 3isf h LEU 27 N 0.03 0.75 -1.13 0.59 5.85 -1.05 -1.51 115.31 118.84 3isf h LEU 27 Ca 0.03 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3isf h LEU 27 Cb 0.67 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3isf h LEU 27 CO 0.04 0.57 0.04 0.45 -0.34 0.00 0.00 178.44 179.20 3isf h HIS 28 N 0.86 0.67 -0.24 1.25 3.86 -0.78 -0.31 115.15 120.45 3isf h HIS 28 Ca 0.23 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3isf h HIS 28 Cb -0.05 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 3isf h HIS 28 CO -0.02 0.62 0.13 1.03 0.86 0.00 0.00 177.93 180.55 3isf h SER 29 N 0.62 0.30 0.93 2.45 0.87 -0.66 -1.10 113.55 116.97 3isf h SER 29 Ca 0.13 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 3isf h SER 29 Cb 0.33 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3isf h SER 29 CO 0.01 0.30 -0.35 0.03 -0.53 0.00 0.00 176.83 176.29 3isf h ARG 30 N 0.28 0.00 -0.25 2.24 -0.00 -0.80 -1.70 114.38 114.15 3isf h ARG 30 Ca 0.09 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.50 3isf h ARG 30 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 3isf h ARG 30 CO -0.01 0.35 -0.08 0.52 0.00 0.00 0.00 179.97 180.75 3isf h MET 31 N 0.00 0.50 -0.45 0.04 2.86 -0.87 -0.88 114.93 116.12 3isf h MET 31 Ca -0.00 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3isf h MET 31 Cb 0.91 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3isf h MET 31 CO 0.05 0.74 0.27 -1.49 1.06 0.00 0.00 176.91 177.54 3isf h TRP 32 N 0.24 0.59 -0.34 -0.22 6.55 -1.00 -1.09 115.95 120.69 3isf h TRP 32 Ca 0.06 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.90 3isf h TRP 32 Cb 0.56 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.65 3isf h TRP 32 CO 0.06 0.41 0.22 -0.91 -1.05 0.00 0.00 178.44 177.17 3isf h ASN 33 N 0.60 0.40 -0.59 -3.49 -0.26 -1.31 -0.61 115.58 110.32 3isf h ASN 33 Ca 0.16 -0.02 0.12 0.00 -0.56 0.00 0.00 56.30 56.01 3isf h ASN 33 Cb -0.01 -0.10 -0.10 0.00 -1.06 0.00 0.00 38.32 37.05 3isf h ASN 33 CO -0.03 0.29 -0.00 -0.78 -1.06 0.00 0.00 177.43 175.85 3isf h ASP 34 N 0.46 -0.27 0.47 5.81 3.58 -0.88 -0.17 116.42 125.43 3isf h ASP 34 Ca 0.13 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.72 3isf h ASP 34 Cb -0.05 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3isf h ASP 34 CO -0.03 -0.11 0.00 0.79 -2.88 0.00 0.00 179.24 177.02 3isf n TRP 35 N -5.27 0.00 -0.87 0.28 8.01 -0.44 -4.87 117.44 114.29 3isf n TRP 35 Ca 0.08 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 3isf n TRP 35 Cb 0.33 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.29 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 0.54 0.50 2.96 6.99 0.00 -0.07 -4.95 105.19 111.16 3isf n GLY 36 Ca 0.09 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 6.50 0.22 0.99 4.77 -0.32 -4.52 117.00 124.64 3isf n LEU 37 Ca 0.00 -5.04 0.08 0.00 -0.03 0.00 0.00 56.01 51.02 3isf n LEU 37 Cb 0.00 -1.34 0.53 0.00 -2.33 0.00 0.00 43.42 40.28 3isf n LEU 37 CO 0.00 1.59 0.85 0.11 -1.33 0.00 0.00 177.39 178.61 3isf h LYS 38 N 5.54 0.00 -0.12 3.23 1.57 -1.21 -1.37 116.57 124.22 3isf h LYS 38 Ca 0.26 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.83 3isf h LYS 38 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3isf h LYS 38 CO 1.42 0.24 -0.76 -0.09 -0.57 0.00 0.00 179.45 179.69 3isf h ARG 39 N 0.00 0.63 -0.41 3.15 2.43 -1.40 -1.52 114.38 117.25 3isf h ARG 39 Ca -0.00 -0.52 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 3isf h ARG 39 Cb 0.51 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3isf h ARG 39 CO 0.03 1.13 0.17 -0.07 -1.51 0.00 0.00 179.97 179.72 3isf h LEU 40 N 0.43 0.57 -0.12 3.80 3.38 -1.60 -1.93 115.31 119.84 3isf h LEU 40 Ca -0.04 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3isf h LEU 40 Cb 1.37 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 3isf h LEU 40 CO 0.15 0.58 -0.23 1.23 0.09 0.00 0.00 178.44 180.26 3isf h GLY 41 N 0.52 -0.23 0.96 0.83 0.00 -1.21 0.52 103.07 104.46 3isf h GLY 41 Ca 0.14 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 3isf h GLY 41 CO -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 176.54 176.47 3isf h ALA 42 N 0.67 0.30 -0.50 3.60 0.00 -1.25 0.60 119.26 122.68 3isf h ALA 42 Ca 0.10 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3isf h ALA 42 Cb 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3isf h ALA 42 CO -0.29 -0.18 0.19 1.25 0.00 0.00 0.00 179.25 180.22 3isf h HIS 43 N 0.27 0.34 -0.45 0.00 6.17 -1.20 -1.29 115.15 118.99 3isf h HIS 43 Ca 0.08 0.02 -0.13 0.00 0.71 0.00 0.00 60.37 61.06 3isf h HIS 43 Cb 0.05 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 3isf h HIS 43 CO -0.04 0.12 -0.23 1.49 0.71 0.00 0.00 177.93 179.98 3isf h GLU 44 N 0.38 0.94 -0.58 5.26 4.57 -0.67 -0.91 114.58 123.57 3isf h GLU 44 Ca 0.24 -0.40 0.11 0.00 -1.18 0.00 0.00 59.36 58.12 3isf h GLU 44 Cb 0.23 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 3isf h GLU 44 CO -0.23 1.07 0.11 -0.92 -1.18 0.00 0.00 179.01 177.86 3isf h TYR 45 N 0.81 0.18 -0.45 0.92 3.20 -0.62 -1.09 116.97 119.92 3isf h TYR 45 Ca 0.10 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 3isf h TYR 45 Cb 0.80 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 3isf h TYR 45 CO 0.05 -0.03 -0.05 0.45 -1.64 0.00 0.00 178.16 176.94 3isf h HIS 46 N 0.25 0.83 -1.01 -3.82 3.86 -0.45 -1.57 115.15 113.24 3isf h HIS 46 Ca 0.30 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3isf h HIS 46 Cb 0.44 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 3isf h HIS 46 CO -0.25 0.80 0.66 0.93 0.86 0.00 0.00 177.93 180.93 3isf h GLU 47 N 0.71 1.26 -0.58 2.45 4.39 -0.68 -1.73 114.58 120.40 3isf h GLU 47 Ca 0.13 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 3isf h GLU 47 Cb 0.51 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3isf h GLU 47 CO 0.03 0.83 0.14 1.03 -1.16 0.00 0.00 179.01 179.88 3isf h SER 48 N 1.30 0.89 -0.52 1.42 0.87 -0.58 -2.38 113.55 114.55 3isf h SER 48 Ca 0.40 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3isf h SER 48 Cb -0.03 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3isf h SER 48 CO -0.12 0.89 0.23 0.40 -0.53 0.00 0.00 176.83 177.70 3isf h ILE 49 N 0.84 1.21 -0.83 2.23 1.08 -1.17 -1.62 117.51 119.26 3isf h ILE 49 Ca 0.18 -0.62 0.07 0.00 -0.39 0.00 0.00 64.86 64.10 3isf h ILE 49 Cb 0.35 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 3isf h ILE 49 CO 0.00 0.24 0.54 0.44 -0.69 0.00 0.00 178.15 178.68 3isf h ASP 50 N 0.70 0.79 0.38 1.72 3.32 -1.15 -1.56 116.42 120.61 3isf h ASP 50 Ca 0.18 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 3isf h ASP 50 Cb 0.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3isf h ASP 50 CO -0.02 0.50 -0.63 -0.33 -1.72 0.00 0.00 179.24 177.05 3isf h GLU 51 N 0.89 0.24 -0.68 3.56 4.39 -1.04 -2.00 114.58 119.95 3isf h GLU 51 Ca 0.36 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 3isf h GLU 51 Cb 0.25 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3isf h GLU 51 CO -0.13 0.78 0.30 0.52 -1.16 0.00 0.00 179.01 179.32 3isf h MET 52 N 0.17 1.00 -0.61 2.33 2.86 -0.40 -2.18 114.93 118.10 3isf h MET 52 Ca -0.01 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.39 3isf h MET 52 Cb 1.14 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3isf h MET 52 CO 0.10 0.81 0.10 0.87 1.06 0.00 0.00 176.91 179.85 3isf h LYS 53 N 0.95 1.01 -0.87 1.72 1.57 -1.14 -0.75 116.57 119.06 3isf h LYS 53 Ca 0.23 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3isf h LYS 53 Cb 0.17 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3isf h LYS 53 CO -0.02 0.95 0.55 0.45 -0.57 0.00 0.00 179.45 180.81 3isf h HIS 54 N 0.92 1.03 -0.58 -1.35 3.86 -1.19 -2.61 115.15 115.24 3isf h HIS 54 Ca 0.19 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 3isf h HIS 54 Cb 0.43 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3isf h HIS 54 CO 0.03 0.55 0.03 0.00 0.86 0.00 0.00 177.93 179.40 3isf h ALA 55 N 1.39 0.95 0.04 2.45 0.00 -1.05 -0.36 119.26 122.69 3isf h ALA 55 Ca 0.37 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3isf h ALA 55 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3isf h ALA 55 CO -0.15 0.64 -0.03 0.22 0.00 0.00 0.00 179.25 179.92 3isf h ASP 56 N 0.91 -0.08 -0.81 0.00 3.58 -0.91 0.68 116.42 119.79 3isf h ASP 56 Ca 0.17 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 3isf h ASP 56 Cb 0.49 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 3isf h ASP 56 CO 0.02 -0.05 0.40 0.11 -2.88 0.00 0.00 179.24 176.84 3isf h LYS 57 N -0.07 1.16 -0.89 0.28 1.79 -1.10 0.46 116.57 118.21 3isf h LYS 57 Ca -0.00 -0.17 0.04 0.00 -2.18 0.00 0.00 60.65 58.34 3isf h LYS 57 Cb 0.07 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.45 3isf h LYS 57 CO -0.00 0.89 0.57 -0.07 -1.08 0.00 0.00 179.45 179.76 3isf h LEU 58 N 1.14 0.95 -0.25 2.94 3.38 -0.88 -1.38 115.31 121.21 3isf h LEU 58 Ca 0.28 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3isf h LEU 58 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3isf h LEU 58 CO -0.04 0.65 -0.19 0.40 0.09 0.00 0.00 178.44 179.35 3isf h ILE 59 N 1.11 1.31 -0.37 1.22 2.04 0.15 -0.91 117.51 122.07 3isf h ILE 59 Ca 0.36 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3isf h ILE 59 Cb 0.02 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3isf h ILE 59 CO -0.12 0.41 0.24 -0.33 0.00 0.00 0.00 178.15 178.35 3isf h GLU 60 N 0.28 0.48 -0.19 2.37 5.08 -0.82 -1.44 114.58 120.33 3isf h GLU 60 Ca 0.05 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3isf h GLU 60 Cb 0.73 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3isf h GLU 60 CO 0.05 0.32 0.08 -0.09 -1.00 0.00 0.00 179.01 178.37 3isf h ARG 61 N 0.50 0.18 -0.77 2.33 9.65 -1.16 -1.97 114.38 123.13 3isf h ARG 61 Ca 0.13 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3isf h ARG 61 Cb -0.06 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 3isf h ARG 61 CO -0.03 0.12 0.48 0.82 2.80 0.00 0.00 179.97 184.16 3isf h ILE 62 N 0.19 1.21 -0.62 1.20 2.04 -1.00 -0.70 117.51 119.82 3isf h ILE 62 Ca 0.08 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 3isf h ILE 62 Cb 0.03 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 3isf h ILE 62 CO -0.07 0.22 0.05 -0.07 0.00 0.00 0.00 178.15 178.27 3isf h LEU 63 N 1.05 1.04 -0.97 1.44 4.07 -1.22 0.16 115.31 120.87 3isf h LEU 63 Ca 0.28 -0.29 0.01 0.00 0.08 0.00 0.00 57.88 57.96 3isf h LEU 63 Cb -0.06 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.35 3isf h LEU 63 CO -0.05 1.07 0.63 0.15 -1.08 0.00 0.00 178.44 179.16 3isf h PHE 64 N 0.98 1.23 0.00 1.13 3.57 -0.84 -2.28 116.94 120.73 3isf h PHE 64 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3isf h PHE 64 Cb 0.51 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3isf h PHE 64 CO 0.04 0.78 0.00 1.28 -2.23 0.00 0.00 178.31 178.18 3isf n LEU 65 N -4.40 0.00 -2.14 0.59 4.77 -0.31 -4.85 117.00 110.65 3isf n LEU 65 Ca 0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 3isf n LEU 65 Cb 0.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3isf n LEU 65 CO 0.37 0.00 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.57 3isf n GLU 66 N -0.86 -1.51 -2.06 3.23 1.02 -0.86 -0.81 120.64 118.79 3isf n GLU 66 Ca 0.13 0.93 -0.28 0.00 -0.02 0.00 0.00 57.16 57.91 3isf n GLU 66 Cb 0.06 -5.47 0.15 0.00 -0.02 0.00 0.00 31.44 26.15 3isf n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3isf s GLY 67 N -2.16 1.74 -0.33 0.62 0.00 0.51 -4.92 107.32 102.79 3isf s GLY 67 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 3isf s GLY 67 CO 0.00 -0.53 0.06 1.08 0.00 0.00 0.00 173.10 173.71 3isf s LEU 68 N -5.67 4.19 0.40 0.66 1.43 -1.26 -4.21 118.68 114.22 3isf s LEU 68 Ca 0.70 -1.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.26 3isf s LEU 68 Cb -0.06 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 3isf s LEU 68 CO 0.50 -0.31 1.28 -2.84 0.23 0.00 0.00 176.35 175.21 3isf s PRO 69 N 1.31 4.02 -0.42 1.29 0.02 -1.26 -4.97 135.00 134.98 3isf s PRO 69 Ca -0.03 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.01 3isf s PRO 69 Cb -0.20 -2.78 0.08 0.00 0.02 0.00 0.00 34.50 31.62 3isf s PRO 69 CO 0.00 -0.44 0.27 1.21 -0.33 0.00 0.00 177.00 177.72 3isf s ASN 70 N -0.78 5.67 -0.02 2.53 3.84 -1.26 -4.88 114.94 120.04 3isf s ASN 70 Ca 0.56 -1.50 0.12 0.00 0.21 0.00 0.00 52.86 52.25 3isf s ASN 70 Cb -0.37 -2.00 0.36 0.00 -0.55 0.00 0.00 41.25 38.69 3isf s ASN 70 CO 0.48 -0.55 1.29 0.18 -2.79 0.00 0.00 177.10 175.71 3isf n LEU 71 N 4.93 3.12 -0.02 3.21 4.32 -1.26 -4.61 117.00 126.69 3isf n LEU 71 Ca -0.10 -2.13 -0.10 0.00 -0.02 0.00 0.00 56.01 53.67 3isf n LEU 71 Cb 0.43 -0.29 -0.14 0.00 -1.62 0.00 0.00 43.42 41.80 3isf n LEU 71 CO 0.40 0.74 -0.59 1.67 -1.22 0.00 0.00 177.39 178.38 3isf n GLN 72 N 0.46 0.65 -3.59 3.23 -0.06 -1.26 -4.84 117.38 111.97 3isf n GLN 72 Ca 0.14 0.28 -0.36 0.00 -2.00 0.00 0.00 57.00 55.05 3isf n GLN 72 Cb 0.50 -1.77 -0.07 0.00 -4.06 0.00 0.00 30.24 24.84 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 -6.15 6.37 -0.20 1.69 1.01 -1.26 -5.04 116.67 113.10 3isf s ASP 73 Ca -0.07 0.43 -0.00 0.00 0.71 0.00 0.00 52.55 53.62 3isf s ASP 73 Cb 0.08 -2.16 0.05 0.00 1.01 0.00 0.00 42.92 41.90 3isf s ASP 73 CO 0.82 0.12 -0.05 -0.22 0.21 0.00 0.00 175.17 176.05 3isf s LEU 74 N 0.43 2.01 0.00 1.23 2.96 -1.26 -4.90 118.68 119.15 3isf s LEU 74 Ca 0.14 -0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 53.09 3isf s LEU 74 Cb -0.12 -1.03 0.10 0.00 0.50 0.00 0.00 46.19 45.64 3isf s LEU 74 CO 0.02 -0.21 0.31 0.61 -1.32 0.00 0.00 176.35 175.76 3isf n GLY 75 N 4.79 -2.85 3.64 7.98 0.00 -1.26 -4.95 105.19 112.54 3isf n GLY 75 Ca -0.12 -1.41 -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 -3.70 4.06 0.15 1.61 2.47 -1.26 -4.91 119.74 118.16 3isf s LYS 76 Ca 0.21 1.34 -0.31 0.00 -1.56 0.00 0.00 55.97 55.64 3isf s LYS 76 Cb -0.02 -3.80 -0.10 0.00 -1.46 0.00 0.00 37.83 32.45 3isf s LYS 76 CO 0.16 -0.93 1.61 -0.51 0.16 0.00 0.00 175.35 175.84 3isf s LEU 77 N 3.90 4.37 -0.65 5.43 1.02 -1.26 -5.00 118.68 126.49 3isf s LEU 77 Ca 0.53 2.62 -0.19 0.00 0.02 0.00 0.00 54.13 57.11 3isf s LEU 77 Cb -0.17 -3.59 0.12 0.00 0.02 0.00 0.00 46.19 42.57 3isf s LEU 77 CO 0.18 -0.85 0.76 -0.76 0.02 0.00 0.00 176.35 175.70 3isf s LEU 78 N 1.48 5.45 -0.30 1.79 1.43 -1.26 -5.04 118.68 122.23 3isf s LEU 78 Ca 0.72 -1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.12 3isf s LEU 78 Cb -0.44 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 3isf s LEU 78 CO 0.32 -1.08 0.16 -0.63 0.23 0.00 0.00 176.35 175.35 3isf s ILE 79 N 2.51 4.86 0.69 -0.59 -1.09 -1.26 -4.69 121.20 121.63 3isf s ILE 79 Ca 0.14 -0.19 -0.09 0.00 -2.23 0.00 0.00 60.65 58.29 3isf s ILE 79 Cb -0.21 -3.40 0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3isf s ILE 79 CO 0.03 0.15 1.03 -0.83 -1.23 0.00 0.00 174.94 174.09 3isf s GLY 80 N 1.67 1.63 -0.02 6.18 0.00 -1.26 -4.97 107.32 110.55 3isf s GLY 80 Ca 0.06 -0.66 0.18 0.00 0.00 0.00 0.00 44.72 44.30 3isf s GLY 80 CO 0.08 -0.29 0.48 1.18 0.00 0.00 0.00 173.10 174.55 3isf n GLU 81 N -2.91 0.72 -4.10 2.90 1.02 -1.26 -4.73 120.64 112.28 3isf n GLU 81 Ca 0.07 -0.12 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 3isf n GLU 81 Cb 0.59 -1.40 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 3isf n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3isf s ASN 82 N -3.72 0.68 0.12 1.62 2.20 -1.26 -5.03 114.94 109.55 3isf s ASN 82 Ca -0.03 -1.39 -0.20 0.00 -0.94 0.00 0.00 52.86 50.30 3isf s ASN 82 Cb 0.12 0.61 -0.06 0.00 -2.00 0.00 0.00 41.25 39.92 3isf s ASN 82 CO 0.74 -1.19 1.73 0.74 -2.94 0.00 0.00 177.10 176.17 3isf h THR 83 N 2.20 0.89 -0.60 0.54 2.02 -1.99 0.11 112.91 116.09 3isf h THR 83 Ca -0.29 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 66.98 3isf h THR 83 Cb 1.24 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 68.41 3isf h THR 83 CO 0.40 0.01 0.18 -0.61 0.37 0.00 0.00 175.52 175.87 3isf h GLN 84 N 0.05 0.33 -0.02 6.66 4.15 -2.00 -1.52 115.11 122.76 3isf h GLN 84 Ca 0.07 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.28 3isf h GLN 84 Cb 0.09 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3isf h GLN 84 CO -0.12 0.22 -0.82 0.93 -1.93 0.00 0.00 178.83 177.10 3isf h GLU 85 N 0.34 0.24 -0.62 1.69 5.08 -1.73 -1.96 114.58 117.62 3isf h GLU 85 Ca 0.31 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3isf h GLU 85 Cb 0.42 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3isf h GLU 85 CO -0.35 0.93 0.40 0.52 -1.00 0.00 0.00 179.01 179.52 3isf h MET 86 N 0.15 0.80 -0.19 2.33 2.86 -0.44 0.29 114.93 120.72 3isf h MET 86 Ca -0.04 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3isf h MET 86 Cb 1.42 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3isf h MET 86 CO 0.13 0.53 -0.04 -0.07 1.06 0.00 0.00 176.91 178.51 3isf h LEU 87 N 0.82 0.37 -0.81 1.22 3.38 -1.12 -1.40 115.31 117.78 3isf h LEU 87 Ca 0.23 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3isf h LEU 87 Cb -0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3isf h LEU 87 CO -0.06 0.65 0.51 -0.61 0.09 0.00 0.00 178.44 179.02 3isf h GLN 88 N 0.09 0.93 -0.69 1.13 5.75 -1.24 -1.49 115.11 119.59 3isf h GLN 88 Ca 0.05 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3isf h GLN 88 Cb 0.48 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 3isf h GLN 88 CO 0.02 0.62 0.41 0.00 -2.65 0.00 0.00 178.83 177.23 3isf h ASP 90 N 0.78 1.11 -0.26 0.00 3.32 -0.93 -1.41 116.42 119.03 3isf h ASP 90 Ca 0.30 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3isf h ASP 90 Cb 0.11 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3isf h ASP 90 CO -0.15 0.96 0.06 0.25 -1.72 0.00 0.00 179.24 178.64 3isf h LEU 91 N 1.18 0.40 -0.94 1.55 5.85 -0.86 -0.96 115.31 121.53 3isf h LEU 91 Ca 0.28 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3isf h LEU 91 Cb 0.18 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3isf h LEU 91 CO -0.03 0.54 0.61 0.78 -0.34 0.00 0.00 178.44 180.00 3isf h ASN 92 N 0.25 1.02 -0.42 1.25 2.35 -1.04 0.05 115.58 119.05 3isf h ASN 92 Ca 0.08 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3isf h ASN 92 Cb 0.30 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3isf h ASN 92 CO 0.00 0.70 0.27 0.25 -1.65 0.00 0.00 177.43 177.00 3isf h LEU 93 N 1.18 0.46 -0.83 1.61 5.85 -0.89 -2.91 115.31 119.79 3isf h LEU 93 Ca 0.38 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.97 3isf h LEU 93 Cb 0.01 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3isf h LEU 93 CO -0.13 0.33 -0.51 -0.33 -0.34 0.00 0.00 178.44 177.47 3isf h GLU 94 N 0.55 0.19 -0.55 1.25 4.39 -0.50 -0.50 114.58 119.41 3isf h GLU 94 Ca 0.16 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 3isf h GLU 94 Cb -0.05 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3isf h GLU 94 CO -0.04 0.66 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.39 3isf h LEU 95 N 0.15 0.91 -0.33 1.33 3.38 -0.94 -2.34 115.31 117.47 3isf h LEU 95 Ca 0.00 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 3isf h LEU 95 Cb 0.95 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3isf h LEU 95 CO 0.08 0.97 -0.46 0.50 0.09 0.00 0.00 178.44 179.62 3isf h LYS 96 N 0.86 0.89 -0.15 1.13 1.63 -1.30 -2.71 116.57 116.92 3isf h LYS 96 Ca 0.16 -0.52 -0.03 0.00 -0.85 0.00 0.00 60.65 59.41 3isf h LYS 96 Cb 0.52 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3isf h LYS 96 CO 0.03 1.16 -0.05 0.00 -3.45 0.00 0.00 179.45 177.14 3isf h ALA 97 N 0.72 1.64 0.06 5.00 0.00 -0.90 -1.50 119.26 124.27 3isf h ALA 97 Ca 0.04 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3isf h ALA 97 Cb 1.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3isf h ALA 97 CO 0.11 0.27 -0.54 0.00 0.00 0.00 0.00 179.25 179.09 3isf h THR 98 N 0.22 1.54 -0.44 0.00 1.03 -1.41 -1.44 112.91 112.41 3isf h THR 98 Ca 0.05 -2.28 0.08 0.00 -0.01 0.00 0.00 66.41 64.26 3isf h THR 98 Cb 0.24 2.99 -0.08 0.00 -1.07 0.00 0.00 68.15 70.23 3isf h THR 98 CO 0.01 0.64 -0.04 0.50 -0.01 0.00 0.00 175.52 176.62 3isf h LYS 99 N -0.41 0.07 -0.14 0.00 1.63 -1.23 0.13 116.57 116.62 3isf h LYS 99 Ca -0.08 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 3isf h LYS 99 Cb 1.35 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 3isf h LYS 99 CO 0.10 0.04 -0.18 -0.44 -3.45 0.00 0.00 179.45 175.53 3isf h ASP 100 N 0.07 0.21 -0.15 4.20 3.32 -1.14 -2.58 116.42 120.36 3isf h ASP 100 Ca 0.21 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3isf h ASP 100 Cb 0.32 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3isf h ASP 100 CO -0.39 0.41 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.45 3isf h LEU 101 N 0.21 0.27 -0.77 1.55 -0.00 -0.13 -0.31 115.31 116.13 3isf h LEU 101 Ca 0.04 -0.34 0.09 0.00 -0.00 0.00 0.00 57.88 57.66 3isf h LEU 101 Cb 0.44 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 40.96 3isf h LEU 101 CO 0.03 0.55 0.43 0.03 -0.00 0.00 0.00 178.44 179.48 3isf h ARG 102 N -0.01 0.72 -0.67 1.13 3.08 -0.76 -1.54 114.38 116.32 3isf h ARG 102 Ca 0.04 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3isf h ARG 102 Cb 0.42 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3isf h ARG 102 CO 0.01 0.48 0.10 0.93 -1.07 0.00 0.00 179.97 180.41 3isf h GLU 103 N 0.74 1.12 -0.53 0.04 5.08 -1.36 -0.92 114.58 118.75 3isf h GLU 103 Ca 0.37 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3isf h GLU 103 Cb 0.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3isf h GLU 103 CO -0.24 1.03 0.14 0.00 -1.00 0.00 0.00 179.01 178.94 3isf h ALA 104 N 1.05 1.25 -0.04 3.43 0.00 -0.56 -2.76 119.26 121.62 3isf h ALA 104 Ca 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3isf h ALA 104 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3isf h ALA 104 CO 0.02 0.53 -0.13 0.82 0.00 0.00 0.00 179.25 180.48 3isf h ILE 105 N 0.78 1.45 -0.75 0.00 2.04 -0.92 -1.05 117.51 119.06 3isf h ILE 105 Ca 0.18 -1.52 0.12 0.00 1.00 0.00 0.00 64.86 64.64 3isf h ILE 105 Cb 0.27 2.34 -0.13 0.00 -0.74 0.00 0.00 36.82 38.56 3isf h ILE 105 CO -0.00 0.42 -0.35 0.58 0.00 0.00 0.00 178.15 178.79 3isf h VAL 106 N -0.37 0.11 -0.54 1.67 2.07 -1.18 -0.50 116.25 117.51 3isf h VAL 106 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3isf h VAL 106 Cb 0.75 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3isf h VAL 106 CO 0.03 0.00 0.16 -0.74 0.02 0.00 0.00 177.57 177.04 3isf h HIS 107 N -0.10 0.88 -0.93 1.57 -0.00 -1.24 -2.39 115.15 112.94 3isf h HIS 107 Ca 0.28 -0.09 0.08 0.00 -0.00 0.00 0.00 60.37 60.64 3isf h HIS 107 Cb 0.57 -0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 27.66 3isf h HIS 107 CO -0.72 0.76 0.58 0.00 -0.00 0.00 0.00 177.93 178.54 3isf h GLU 109 N 1.02 0.18 -0.44 0.00 4.57 -0.87 0.27 114.58 119.31 3isf h GLU 109 Ca 0.42 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.55 3isf h GLU 109 Cb 0.26 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3isf h GLU 109 CO -0.20 0.12 0.10 0.37 -1.18 0.00 0.00 179.01 178.22 3isf h GLN 110 N 0.18 0.65 -0.65 1.92 4.15 -1.15 -0.74 115.11 119.48 3isf h GLN 110 Ca 0.05 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3isf h GLN 110 Cb -0.02 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3isf h GLN 110 CO -0.01 0.60 0.00 1.33 -1.93 0.00 0.00 178.83 178.82 3isf n VAL 111 N -4.31 1.90 -3.18 2.39 0.24 -0.73 -4.93 118.33 109.70 3isf n VAL 111 Ca 0.03 -1.16 -0.23 0.00 -2.04 0.00 0.00 64.34 60.93 3isf n VAL 111 Cb 0.20 0.04 0.03 0.00 -1.47 0.00 0.00 33.84 32.65 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 1.02 -2.01 -2.76 6.34 8.25 -0.28 -4.91 115.22 120.88 3isf n HIS 112 Ca 0.25 0.56 -0.43 0.00 -0.26 0.00 0.00 57.72 57.84 3isf n HIS 112 Cb 0.91 -4.14 0.00 0.00 1.12 0.00 0.00 29.99 27.88 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 -2.52 5.41 0.07 0.41 -0.08 0.87 -4.82 116.55 115.90 3isf n ASP 113 Ca -0.07 -3.11 -0.01 0.00 -1.51 0.00 0.00 54.79 50.08 3isf n ASP 113 Cb 0.59 -1.46 0.28 0.00 2.34 0.00 0.00 41.12 42.88 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 6.22 0.38 -0.27 -0.67 0.05 -1.91 -1.07 116.97 119.69 3isf h TYR 114 Ca 0.31 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.98 3isf h TYR 114 Cb 0.73 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 3isf h TYR 114 CO 1.11 0.54 -0.03 0.28 -1.05 0.00 0.00 178.16 179.01 3isf h VAL 115 N 0.31 1.27 -0.90 -2.88 2.07 -1.97 0.09 116.25 114.25 3isf h VAL 115 Ca 0.05 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.62 3isf h VAL 115 Cb 0.56 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3isf h VAL 115 CO 0.04 0.32 0.58 0.28 0.02 0.00 0.00 177.57 178.80 3isf h SER 116 N 0.27 0.94 -0.07 0.57 0.02 -1.93 -1.51 113.55 111.83 3isf h SER 116 Ca 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3isf h SER 116 Cb 0.48 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3isf h SER 116 CO 0.02 0.63 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.21 3isf h ARG 117 N 1.09 -0.03 -0.57 3.45 2.43 -0.94 -1.72 114.38 118.09 3isf h ARG 117 Ca 0.37 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 3isf h ARG 117 Cb 0.07 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3isf h ARG 117 CO -0.14 -0.02 0.36 0.22 -1.51 0.00 0.00 179.97 178.87 3isf h ASP 118 N -0.03 0.59 -0.47 -3.80 3.58 -0.32 -0.99 116.42 114.98 3isf h ASP 118 Ca 0.04 -0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.58 3isf h ASP 118 Cb 0.10 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 40.94 3isf h ASP 118 CO -0.10 0.42 0.03 0.25 -2.88 0.00 0.00 179.24 176.96 3isf h LEU 119 N 0.71 -0.14 -0.82 2.28 6.46 -1.21 -1.77 115.31 120.82 3isf h LEU 119 Ca 0.22 0.10 -0.11 0.00 -0.12 0.00 0.00 57.88 57.97 3isf h LEU 119 Cb -0.02 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3isf h LEU 119 CO -0.08 -0.04 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.29 3isf h LEU 120 N 0.15 0.49 -1.23 2.25 3.38 -0.64 -2.13 115.31 117.58 3isf h LEU 120 Ca 0.24 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3isf h LEU 120 Cb 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3isf h LEU 120 CO -0.37 0.80 0.07 0.50 0.09 0.00 0.00 178.44 179.54 3isf h LYS 121 N 0.41 0.60 -0.26 1.13 3.64 -0.96 0.12 116.57 121.25 3isf h LYS 121 Ca 0.05 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 3isf h LYS 121 Cb 0.79 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3isf h LYS 121 CO 0.06 0.57 -0.56 -0.44 -2.27 0.00 0.00 179.45 176.81 3isf h ASP 122 N 0.58 0.91 -0.29 4.20 3.32 -0.90 -1.00 116.42 123.24 3isf h ASP 122 Ca 0.13 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 3isf h ASP 122 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3isf h ASP 122 CO 0.00 1.28 0.11 0.40 -1.72 0.00 0.00 179.24 179.32 3isf h ILE 123 N 0.62 1.18 -0.90 0.35 2.04 -1.14 -2.71 117.51 116.95 3isf h ILE 123 Ca 0.01 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.38 3isf h ILE 123 Cb 1.16 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 3isf h ILE 123 CO 0.12 0.19 0.58 0.25 0.00 0.00 0.00 178.15 179.29 3isf h LEU 124 N 0.32 0.88 -0.60 1.44 5.85 -0.57 0.21 115.31 122.85 3isf h LEU 124 Ca 0.10 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3isf h LEU 124 Cb 0.19 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3isf h LEU 124 CO -0.01 0.55 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.34 3isf h GLU 125 N 0.99 0.88 -0.59 1.25 4.81 -1.01 0.02 114.58 120.93 3isf h GLU 125 Ca 0.39 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3isf h GLU 125 Cb 0.25 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3isf h GLU 125 CO -0.15 1.01 0.27 0.77 -0.73 0.00 0.00 179.01 180.18 3isf h SER 126 N 0.76 0.79 -0.21 1.04 0.02 -0.71 -1.78 113.55 113.47 3isf h SER 126 Ca 0.10 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3isf h SER 126 Cb 0.77 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3isf h SER 126 CO 0.06 0.72 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.81 3isf h GLU 127 N 0.82 0.72 -0.33 3.45 4.39 -0.31 -2.05 114.58 121.26 3isf h GLU 127 Ca 0.20 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 3isf h GLU 127 Cb 0.15 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3isf h GLU 127 CO -0.02 0.95 -0.08 0.93 -1.16 0.00 0.00 179.01 179.62 3isf h GLU 128 N 0.61 0.55 -0.71 2.33 5.08 -0.85 -0.50 114.58 121.08 3isf h GLU 128 Ca 0.07 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3isf h GLU 128 Cb 0.85 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3isf h GLU 128 CO 0.07 0.63 0.35 0.93 -1.00 0.00 0.00 179.01 180.00 3isf h GLU 129 N 0.51 1.00 -0.39 2.33 5.08 -1.06 -0.60 114.58 121.45 3isf h GLU 129 Ca 0.10 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3isf h GLU 129 Cb 0.45 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3isf h GLU 129 CO 0.02 0.76 -0.16 1.25 -1.00 0.00 0.00 179.01 179.89 3isf h HIS 130 N 1.00 0.91 -0.57 4.33 2.76 -0.73 -0.80 115.15 122.06 3isf h HIS 130 Ca 0.25 -0.22 0.09 0.00 -2.20 0.00 0.00 60.37 58.29 3isf h HIS 130 Cb 0.08 -0.21 -0.07 0.00 1.55 0.00 0.00 27.41 28.76 3isf h HIS 130 CO 0.01 0.96 0.18 0.82 -1.30 0.00 0.00 177.93 178.60 3isf h ILE 131 N 0.60 0.75 -0.60 6.26 2.04 -0.88 0.25 117.51 125.93 3isf h ILE 131 Ca 0.09 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3isf h ILE 131 Cb 0.71 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3isf h ILE 131 CO 0.05 0.06 0.30 -0.78 0.00 0.00 0.00 178.15 177.78 3isf h ASP 132 N 0.34 0.78 -0.14 1.72 3.58 -0.71 0.31 116.42 122.30 3isf h ASP 132 Ca 0.29 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.63 3isf h ASP 132 Cb 0.36 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3isf h ASP 132 CO -0.31 0.69 0.03 0.22 -2.88 0.00 0.00 179.24 176.99 3isf h TYR 133 N 0.82 0.05 -0.07 0.28 3.20 -0.20 -0.17 116.97 120.88 3isf h TYR 133 Ca 0.21 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3isf h TYR 133 Cb 0.11 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 3isf h TYR 133 CO -0.00 0.02 0.04 -0.07 -1.64 0.00 0.00 178.16 176.51 3isf h LEU 134 N 0.09 0.09 -0.83 2.82 -0.00 -0.11 -0.23 115.31 117.14 3isf h LEU 134 Ca 0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 3isf h LEU 134 Cb 0.05 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.65 3isf h LEU 134 CO -0.08 0.16 0.48 -0.33 -0.00 0.00 0.00 178.44 178.67 3isf h GLU 135 N 0.01 1.14 -0.32 1.13 5.08 -0.86 -1.86 114.58 118.90 3isf h GLU 135 Ca 0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3isf h GLU 135 Cb 0.09 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3isf h GLU 135 CO -0.00 0.82 0.20 1.15 -1.00 0.00 0.00 179.01 180.17 3isf h THR 136 N 1.14 1.10 -0.78 1.13 2.02 -0.80 -0.15 112.91 116.56 3isf h THR 136 Ca 0.29 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3isf h THR 136 Cb -0.01 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3isf h THR 136 CO -0.05 0.10 0.52 1.56 0.37 0.00 0.00 175.52 178.02 3isf h GLN 137 N 0.42 1.04 -0.56 6.66 1.08 -0.54 -0.37 115.11 122.84 3isf h GLN 137 Ca 0.12 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 3isf h GLN 137 Cb -0.01 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.17 3isf h GLN 137 CO -0.02 0.69 0.09 -0.07 -0.95 0.00 0.00 178.83 178.56 3isf h LEU 138 N 1.07 0.90 -1.47 1.46 4.07 -0.97 -1.88 115.31 118.49 3isf h LEU 138 Ca 0.29 -0.26 0.06 0.00 0.08 0.00 0.00 57.88 58.05 3isf h LEU 138 Cb -0.12 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.34 3isf h LEU 138 CO -0.06 0.94 0.43 1.23 -1.08 0.00 0.00 178.44 179.90 3isf h GLY 139 N 0.83 0.82 1.50 0.83 0.00 -0.61 -2.59 103.07 103.85 3isf h GLY 139 Ca 0.17 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 3isf h GLY 139 CO 0.01 0.19 -0.65 1.41 0.00 0.00 0.00 176.54 177.51 3isf h LEU 140 N 0.65 0.59 -0.92 3.11 3.38 -0.41 -0.84 115.31 120.85 3isf h LEU 140 Ca 0.28 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3isf h LEU 140 Cb 0.28 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3isf h LEU 140 CO -0.09 1.08 0.58 0.40 0.09 0.00 0.00 178.44 180.50 3isf h ILE 141 N 0.37 1.03 -0.29 1.22 2.04 -0.99 0.78 117.51 121.67 3isf h ILE 141 Ca -0.01 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 3isf h ILE 141 Cb 1.21 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3isf h ILE 141 CO 0.12 0.19 -0.27 1.56 0.00 0.00 0.00 178.15 179.75 3isf h GLN 142 N 1.03 0.69 -0.24 2.37 1.08 -1.20 -2.41 115.11 116.43 3isf h GLN 142 Ca 0.41 -0.36 -0.17 0.00 -1.45 0.00 0.00 58.65 57.09 3isf h GLN 142 Cb 0.23 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3isf h GLN 142 CO -0.19 0.97 -0.50 0.87 -0.95 0.00 0.00 178.83 179.03 3isf h LYS 143 N 0.43 0.75 0.00 1.46 1.57 -0.49 -3.35 116.57 116.95 3isf h LYS 143 Ca 0.05 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3isf h LYS 143 Cb 0.83 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3isf h LYS 143 CO 0.07 1.12 -1.02 1.33 -0.57 0.00 0.00 179.45 180.37 3isf n VAL 144 N -4.11 0.00 0.00 0.50 0.24 0.21 -5.09 118.33 110.07 3isf n VAL 144 Ca -0.05 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3isf n VAL 144 Cb 0.60 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 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 1.45 0.25 0.28 7.63 0.00 -0.91 -4.42 105.19 109.46 3isf n GLY 145 Ca 0.03 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.80 -0.66 0.99 5.85 -1.90 -1.05 115.31 117.74 3isf h LEU 146 Ca 0.00 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3isf h LEU 146 Cb 0.00 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3isf h LEU 146 CO 0.00 -0.26 0.35 -0.33 -0.34 0.00 0.00 178.44 177.86 3isf h GLU 147 N -0.14 0.61 -0.28 1.25 5.08 -1.94 0.38 114.58 119.54 3isf h GLU 147 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3isf h GLU 147 Cb 0.47 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3isf h GLU 147 CO -0.54 0.40 0.10 -0.91 -1.00 0.00 0.00 179.01 177.06 3isf h ASN 148 N 0.62 0.40 -0.15 1.42 2.35 -1.66 -0.72 115.58 117.85 3isf h ASN 148 Ca 0.31 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3isf h ASN 148 Cb 0.25 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 3isf h ASN 148 CO -0.21 0.48 -0.15 0.22 -1.65 0.00 0.00 177.43 176.12 3isf h TYR 149 N 0.30 -0.37 -0.44 1.19 3.20 -0.20 -0.67 116.97 119.97 3isf h TYR 149 Ca 0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3isf h TYR 149 Cb 0.21 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3isf h TYR 149 CO -0.00 -0.21 0.19 -0.07 -1.64 0.00 0.00 178.16 176.42 3isf h LEU 150 N -0.17 0.60 -0.55 2.82 3.38 -0.89 -2.46 115.31 118.05 3isf h LEU 150 Ca 0.10 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.02 3isf h LEU 150 Cb 0.32 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 3isf h LEU 150 CO -0.25 0.59 -0.19 -0.61 0.09 0.00 0.00 178.44 178.07 3isf h GLN 151 N 0.57 -0.06 0.00 1.13 4.15 -0.67 0.10 115.11 120.34 3isf h GLN 151 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3isf h GLN 151 Cb 0.17 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3isf h GLN 151 CO -0.01 -0.04 0.00 0.43 -1.93 0.00 0.00 178.83 177.28 3isf n SER 152 N -5.41 0.00 -0.19 -0.69 7.64 -0.30 -1.37 113.62 113.30 3isf n SER 152 Ca 0.05 0.29 0.05 0.00 1.01 0.00 0.00 58.87 60.27 3isf n SER 152 Cb 0.31 -0.34 0.09 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.34 0.15 -0.03 1.43 8.25 0.32 -4.66 115.22 119.34 3isf n HIS 153 Ca 0.02 -0.68 -0.16 0.00 -0.26 0.00 0.00 57.72 56.64 3isf n HIS 153 Cb 0.04 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 30.96 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 0.45 0.41 -5.37 -0.41 2.86 -0.88 -1.39 114.93 110.61 3isf h MET 154 Ca 0.00 -0.35 -0.61 0.00 -2.06 0.00 0.00 59.70 56.68 3isf h MET 154 Cb 0.77 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.39 3isf h MET 154 CO 0.02 0.99 -0.47 -1.01 1.06 0.00 0.00 176.91 177.50 3isf s HIS 155 N -3.59 3.46 0.68 -0.22 3.76 -1.26 -2.32 115.29 115.80 3isf s HIS 155 Ca -0.14 0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 55.00 3isf s HIS 155 Cb 0.04 -2.13 0.01 0.00 1.11 0.00 0.00 32.58 31.61 3isf s HIS 155 CO 0.80 0.38 1.25 -1.21 -0.85 0.00 0.00 174.74 175.11 3isf s GLU 156 N 0.07 2.38 0.00 1.40 2.02 -1.26 -4.34 118.70 118.97 3isf s GLU 156 Ca 0.10 1.92 0.24 0.00 0.02 0.00 0.00 54.97 57.25 3isf s GLU 156 Cb -0.11 -1.84 1.43 0.00 0.10 0.00 0.00 34.13 33.70 3isf s GLU 156 CO -0.00 -1.69 1.80 -3.47 0.02 0.00 0.00 175.26 171.91