#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 1.64 0.29 3.14 0.00 0.11 -5.01 107.32 107.49 3isf s GLY 3 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.19 3isf s GLY 3 CO 0.00 0.12 1.61 -0.35 0.00 0.00 0.00 173.10 174.48 3isf s ASP 4 N -4.21 6.35 0.19 1.64 2.15 -1.26 -4.94 116.67 116.60 3isf s ASP 4 Ca 0.58 2.97 -0.10 0.00 0.43 0.00 0.00 52.55 56.42 3isf s ASP 4 Cb -0.12 -2.63 0.11 0.00 -0.30 0.00 0.00 42.92 39.98 3isf s ASP 4 CO 0.53 -0.93 1.75 0.50 -0.17 0.00 0.00 175.17 176.85 3isf h LYS 5 N 4.90 1.04 -0.12 4.34 3.64 -1.98 -2.23 116.57 126.16 3isf h LYS 5 Ca -0.47 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 58.59 3isf h LYS 5 Cb 1.22 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3isf h LYS 5 CO 0.80 0.86 -0.49 0.87 -2.27 0.00 0.00 179.45 179.22 3isf h LYS 6 N 0.99 0.32 -0.33 1.90 6.56 -1.99 -2.33 116.57 121.69 3isf h LYS 6 Ca 0.23 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3isf h LYS 6 Cb 0.21 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 3isf h LYS 6 CO -0.02 0.74 0.21 0.28 -2.06 0.00 0.00 179.45 178.61 3isf h VAL 7 N 0.25 1.09 -0.74 0.50 2.07 -1.81 0.26 116.25 117.86 3isf h VAL 7 Ca 0.01 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3isf h VAL 7 Cb 0.96 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 3isf h VAL 7 CO 0.08 0.09 0.46 0.40 0.02 0.00 0.00 177.57 178.62 3isf h ILE 8 N 0.44 1.07 -0.71 4.57 2.04 -1.25 0.34 117.51 124.00 3isf h ILE 8 Ca 0.12 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3isf h ILE 8 Cb -0.04 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 3isf h ILE 8 CO -0.03 0.16 0.45 1.56 0.00 0.00 0.00 178.15 180.29 3isf h GLN 9 N 0.87 0.86 -0.57 2.37 4.20 -1.13 0.10 115.11 121.82 3isf h GLN 9 Ca 0.31 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 3isf h GLN 9 Cb 0.08 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3isf h GLN 9 CO -0.14 0.57 -0.00 0.45 -0.67 0.00 0.00 178.83 179.04 3isf h HIS 10 N 0.89 1.09 -0.69 2.96 3.86 -0.26 -0.56 115.15 122.44 3isf h HIS 10 Ca 0.28 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3isf h HIS 10 Cb -0.00 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 3isf h HIS 10 CO -0.04 0.98 0.21 -0.07 0.86 0.00 0.00 177.93 179.88 3isf h LEU 11 N 0.89 1.01 -1.50 2.43 3.38 -0.01 -0.53 115.31 120.98 3isf h LEU 11 Ca 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3isf h LEU 11 Cb 0.55 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3isf h LEU 11 CO 0.03 0.95 -0.26 0.78 0.09 0.00 0.00 178.44 180.04 3isf h ASN 12 N 1.02 0.00 -0.05 -0.43 2.35 -0.62 0.52 115.58 118.36 3isf h ASN 12 Ca 0.22 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.76 3isf h ASN 12 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.69 3isf h ASN 12 CO -0.01 0.26 -0.79 0.50 -1.65 0.00 0.00 177.43 175.74 3isf h LYS 13 N 0.00 0.63 -0.63 0.81 3.64 0.08 -0.44 116.57 120.67 3isf h LYS 13 Ca -0.00 -0.61 -0.01 0.00 -1.27 0.00 0.00 60.65 58.76 3isf h LYS 13 Cb 0.50 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3isf h LYS 13 CO 0.03 1.22 0.37 0.82 -2.27 0.00 0.00 179.45 179.62 3isf h ILE 14 N 0.27 1.19 -0.79 2.00 1.08 -0.85 -1.19 117.51 119.23 3isf h ILE 14 Ca -0.08 -0.43 0.08 0.00 -0.39 0.00 0.00 64.86 64.04 3isf h ILE 14 Cb 1.45 0.34 -0.07 0.00 -3.07 0.00 0.00 36.82 35.47 3isf h ILE 14 CO 0.16 0.19 0.45 0.25 -0.69 0.00 0.00 178.15 178.52 3isf h LEU 15 N 0.85 0.67 -0.47 1.44 5.85 -0.82 -0.94 115.31 121.88 3isf h LEU 15 Ca 0.22 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.02 3isf h LEU 15 Cb -0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3isf h LEU 15 CO -0.04 0.40 0.24 1.23 -0.34 0.00 0.00 178.44 179.93 3isf h GLY 16 N 0.79 0.66 1.05 3.75 0.00 -0.19 -0.51 103.07 108.62 3isf h GLY 16 Ca 0.37 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.55 3isf h GLY 16 CO -0.22 0.12 0.61 3.43 0.00 0.00 0.00 176.54 180.47 3isf h ASN 17 N 0.48 1.03 -0.54 0.19 2.35 -0.06 -2.71 115.58 116.32 3isf h ASN 17 Ca 0.21 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 3isf h ASN 17 Cb 0.11 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3isf h ASN 17 CO -0.14 0.73 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.95 3isf h GLU 18 N 1.21 1.03 -0.89 0.81 4.39 -0.16 -1.88 114.58 119.10 3isf h GLU 18 Ca 0.35 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3isf h GLU 18 Cb -0.08 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 3isf h GLU 18 CO -0.09 1.06 0.51 -0.07 -1.16 0.00 0.00 179.01 179.26 3isf h LEU 19 N 0.92 1.09 0.01 1.33 3.38 -0.99 0.19 115.31 121.23 3isf h LEU 19 Ca 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3isf h LEU 19 Cb 0.66 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3isf h LEU 19 CO 0.05 0.85 -0.01 0.40 0.09 0.00 0.00 178.44 179.82 3isf h ILE 20 N 1.23 1.03 -0.56 1.22 2.04 -1.35 -3.03 117.51 118.10 3isf h ILE 20 Ca 0.31 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 3isf h ILE 20 Cb -0.01 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3isf h ILE 20 CO -0.05 0.03 0.34 0.00 0.00 0.00 0.00 178.15 178.47 3isf h ALA 21 N 0.93 0.71 -0.40 1.87 0.00 -0.93 0.28 119.26 121.73 3isf h ALA 21 Ca -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3isf h ALA 21 Cb 0.06 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 3isf h ALA 21 CO 0.00 0.18 -0.16 0.82 0.00 0.00 0.00 179.25 180.10 3isf h ILE 22 N 0.75 0.49 -0.06 0.00 2.04 -0.65 0.14 117.51 120.22 3isf h ILE 22 Ca 0.20 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.83 3isf h ILE 22 Cb -0.03 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3isf h ILE 22 CO -0.04 0.00 -0.89 0.78 0.00 0.00 0.00 178.15 178.00 3isf h ASN 23 N -0.08 0.81 -0.08 1.72 4.21 -1.26 -1.17 115.58 119.72 3isf h ASN 23 Ca 0.19 -0.59 -0.01 0.00 1.21 0.00 0.00 56.30 57.10 3isf h ASN 23 Cb 0.37 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3isf h ASN 23 CO -0.45 1.38 0.00 -0.61 -1.29 0.00 0.00 177.43 176.46 3isf h GLN 24 N 0.41 0.14 -0.74 0.81 4.15 -0.68 -1.81 115.11 117.39 3isf h GLN 24 Ca -0.08 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.31 3isf h GLN 24 Cb 1.52 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.16 3isf h GLN 24 CO 0.17 0.40 0.48 1.88 -1.93 0.00 0.00 178.83 179.84 3isf h TYR 25 N -0.13 0.92 -0.67 3.99 0.05 -0.76 -1.38 116.97 118.98 3isf h TYR 25 Ca 0.02 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 3isf h TYR 25 Cb 0.34 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3isf h TYR 25 CO 0.03 0.57 0.35 0.35 -1.05 0.00 0.00 178.16 178.41 3isf h PHE 26 N 0.98 0.94 -0.33 4.88 3.04 -1.01 -0.24 116.94 125.20 3isf h PHE 26 Ca 0.28 -0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.09 3isf h PHE 26 Cb -0.09 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.12 3isf h PHE 26 CO -0.02 0.68 -0.20 1.25 -2.02 0.00 0.00 178.31 178.00 3isf h LEU 27 N 0.93 0.75 -1.02 0.59 5.85 -1.26 -0.99 115.31 120.16 3isf h LEU 27 Ca 0.24 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3isf h LEU 27 Cb 0.07 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3isf h LEU 27 CO -0.03 1.01 0.42 0.45 -0.34 0.00 0.00 178.44 179.94 3isf h HIS 28 N 0.49 1.09 0.06 1.25 3.86 -1.08 -0.07 115.15 120.75 3isf h HIS 28 Ca 0.07 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3isf h HIS 28 Cb 0.75 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 3isf h HIS 28 CO 0.06 0.77 -0.19 1.03 0.86 0.00 0.00 177.93 180.46 3isf h SER 29 N 1.11 -0.54 0.20 2.45 0.87 -0.75 -0.17 113.55 116.71 3isf h SER 29 Ca 0.28 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3isf h SER 29 Cb 0.05 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3isf h SER 29 CO -0.04 -0.27 -0.27 0.03 -0.53 0.00 0.00 176.83 175.76 3isf h ARG 30 N -0.34 0.12 -0.40 2.24 -0.00 -0.75 -1.13 114.38 114.12 3isf h ARG 30 Ca 0.04 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.98 59.37 3isf h ARG 30 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.33 3isf h ARG 30 CO -0.14 0.38 -0.20 0.52 0.00 0.00 0.00 179.97 180.54 3isf h MET 31 N 0.11 0.84 -0.63 0.04 2.86 -0.75 -0.20 114.93 117.20 3isf h MET 31 Ca 0.02 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 3isf h MET 31 Cb 0.53 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3isf h MET 31 CO 0.04 1.01 0.36 -1.49 1.06 0.00 0.00 176.91 177.89 3isf h TRP 32 N 0.65 0.84 -0.44 -0.22 6.55 -0.59 -1.58 115.95 121.16 3isf h TRP 32 Ca 0.09 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.88 3isf h TRP 32 Cb 0.76 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.76 3isf h TRP 32 CO 0.06 0.59 0.11 -0.91 -1.05 0.00 0.00 178.44 177.23 3isf h ASN 33 N 0.85 0.67 -0.42 -3.49 -0.26 -1.09 -0.07 115.58 111.78 3isf h ASN 33 Ca 0.22 -0.23 0.09 0.00 -0.56 0.00 0.00 56.30 55.82 3isf h ASN 33 Cb 0.01 -0.18 -0.08 0.00 -1.06 0.00 0.00 38.32 37.01 3isf h ASN 33 CO -0.04 0.73 -0.14 -0.78 -1.06 0.00 0.00 177.43 176.14 3isf h ASP 34 N 0.58 -0.48 0.25 5.81 3.58 -0.81 -0.85 116.42 124.50 3isf h ASP 34 Ca 0.14 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3isf h ASP 34 Cb 0.32 0.30 0.00 0.00 1.72 0.00 0.00 39.33 41.67 3isf h ASP 34 CO 0.00 -0.17 0.00 0.79 -2.88 0.00 0.00 179.24 176.98 3isf n TRP 35 N -5.34 0.00 -1.03 0.28 8.01 -0.61 -4.88 117.44 113.87 3isf n TRP 35 Ca 0.03 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3isf n TRP 35 Cb 0.25 -0.22 -0.00 0.00 -2.01 0.00 0.00 31.31 29.33 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 0.20 0.42 2.94 6.99 0.00 -0.33 -4.96 105.19 110.46 3isf n GLY 36 Ca 0.10 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.06 6.55 0.22 0.99 4.77 -0.11 -4.51 117.00 124.85 3isf n LEU 37 Ca -0.01 -5.01 0.05 0.00 -0.03 0.00 0.00 56.01 51.01 3isf n LEU 37 Cb 0.02 -1.34 0.49 0.00 -2.33 0.00 0.00 43.42 40.26 3isf n LEU 37 CO 0.01 1.59 0.87 0.11 -1.33 0.00 0.00 177.39 178.64 3isf h LYS 38 N 5.51 0.00 -0.12 3.23 1.57 -1.05 -1.28 116.57 124.44 3isf h LYS 38 Ca 0.28 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.86 3isf h LYS 38 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.93 3isf h LYS 38 CO 1.44 0.21 -0.70 -0.09 -0.57 0.00 0.00 179.45 179.74 3isf h ARG 39 N 0.00 0.68 -0.52 3.15 2.43 -1.49 -0.75 114.38 117.88 3isf h ARG 39 Ca -0.00 -0.58 -0.02 0.00 -0.81 0.00 0.00 59.98 58.57 3isf h ARG 39 Cb 0.39 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3isf h ARG 39 CO 0.03 1.19 0.26 -0.07 -1.51 0.00 0.00 179.97 179.87 3isf h LEU 40 N 0.36 0.66 -0.54 3.80 3.38 -1.58 -1.30 115.31 120.09 3isf h LEU 40 Ca -0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3isf h LEU 40 Cb 1.35 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3isf h LEU 40 CO 0.14 0.59 0.35 1.23 0.09 0.00 0.00 178.44 180.84 3isf h GLY 41 N 0.69 0.77 0.84 0.83 0.00 -1.13 0.01 103.07 105.08 3isf h GLY 41 Ca 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3isf h GLY 41 CO -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 176.54 176.75 3isf h ALA 42 N 1.22 0.31 -0.39 3.60 0.00 -1.08 -1.12 119.26 121.80 3isf h ALA 42 Ca 0.21 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3isf h ALA 42 Cb -0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3isf h ALA 42 CO -0.07 0.05 0.08 1.25 0.00 0.00 0.00 179.25 180.57 3isf h HIS 43 N 0.17 0.13 -0.48 0.00 6.17 -1.03 -2.10 115.15 118.02 3isf h HIS 43 Ca 0.06 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.09 3isf h HIS 43 Cb 0.43 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.34 3isf h HIS 43 CO 0.04 0.02 -0.03 1.49 0.71 0.00 0.00 177.93 180.15 3isf h GLU 44 N 0.21 0.82 -0.66 5.26 4.57 -0.94 -1.60 114.58 122.23 3isf h GLU 44 Ca 0.19 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3isf h GLU 44 Cb 0.22 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3isf h GLU 44 CO -0.25 0.84 0.43 -0.92 -1.18 0.00 0.00 179.01 177.94 3isf h TYR 45 N 0.76 0.82 -0.84 0.92 3.20 -0.93 -1.08 116.97 119.82 3isf h TYR 45 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3isf h TYR 45 Cb 0.50 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3isf h TYR 45 CO 0.03 0.51 0.49 0.45 -1.64 0.00 0.00 178.16 178.00 3isf h HIS 46 N 0.88 1.11 -0.53 -3.82 3.86 -0.87 0.68 115.15 116.45 3isf h HIS 46 Ca 0.24 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3isf h HIS 46 Cb -0.09 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 27.99 3isf h HIS 46 CO -0.03 0.74 0.27 0.93 0.86 0.00 0.00 177.93 180.71 3isf h GLU 47 N 1.15 0.76 -0.57 2.45 4.39 -0.87 -1.31 114.58 120.58 3isf h GLU 47 Ca 0.30 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 3isf h GLU 47 Cb -0.03 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3isf h GLU 47 CO -0.05 0.61 0.21 1.03 -1.16 0.00 0.00 179.01 179.64 3isf h SER 48 N 0.72 0.81 -0.70 1.42 0.87 -0.59 -2.46 113.55 113.60 3isf h SER 48 Ca 0.19 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3isf h SER 48 Cb 0.08 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3isf h SER 48 CO -0.03 0.77 0.44 0.40 -0.53 0.00 0.00 176.83 177.89 3isf h ILE 49 N 0.79 1.11 -0.97 2.23 1.08 -0.68 -1.30 117.51 119.77 3isf h ILE 49 Ca 0.19 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 3isf h ILE 49 Cb 0.24 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 34.09 3isf h ILE 49 CO -0.01 0.16 0.63 0.44 -0.69 0.00 0.00 178.15 178.68 3isf h ASP 50 N 0.88 1.06 -0.31 1.72 3.32 -0.95 -1.77 116.42 120.37 3isf h ASP 50 Ca 0.28 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 3isf h ASP 50 Cb -0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3isf h ASP 50 CO -0.10 0.73 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.47 3isf h GLU 51 N 1.24 0.84 -0.57 3.56 4.39 -1.13 -2.05 114.58 120.86 3isf h GLU 51 Ca 0.38 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.73 3isf h GLU 51 Cb -0.02 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.57 3isf h GLU 51 CO -0.12 1.06 0.25 0.52 -1.16 0.00 0.00 179.01 179.56 3isf h MET 52 N 0.70 0.46 -0.70 2.33 2.86 -0.64 -0.13 114.93 119.80 3isf h MET 52 Ca 0.07 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3isf h MET 52 Cb 0.91 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 3isf h MET 52 CO 0.08 0.30 0.45 0.87 1.06 0.00 0.00 176.91 179.68 3isf h LYS 53 N 0.47 0.88 -0.23 1.72 1.57 -1.21 -1.70 116.57 118.06 3isf h LYS 53 Ca 0.27 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 3isf h LYS 53 Cb 0.26 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3isf h LYS 53 CO -0.23 0.58 0.00 0.45 -0.57 0.00 0.00 179.45 179.68 3isf h HIS 54 N 0.90 -0.01 -0.90 -1.35 3.86 -1.13 -2.29 115.15 114.24 3isf h HIS 54 Ca 0.27 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.57 3isf h HIS 54 Cb -0.04 0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 3isf h HIS 54 CO -0.03 -0.03 0.55 0.00 0.86 0.00 0.00 177.93 179.28 3isf h ALA 55 N 1.20 1.26 -0.09 2.45 0.00 -0.76 -1.55 119.26 121.77 3isf h ALA 55 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3isf h ALA 55 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3isf h ALA 55 CO -0.18 0.27 0.04 0.22 0.00 0.00 0.00 179.25 179.60 3isf h ASP 56 N 0.98 0.12 -0.92 0.00 3.58 -1.10 -0.83 116.42 118.24 3isf h ASP 56 Ca 0.41 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.75 3isf h ASP 56 Cb 0.25 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.22 3isf h ASP 56 CO -0.20 0.20 0.61 0.11 -2.88 0.00 0.00 179.24 177.08 3isf h LYS 57 N 0.03 1.22 -0.40 0.28 1.57 -1.03 0.10 116.57 118.34 3isf h LYS 57 Ca 0.03 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3isf h LYS 57 Cb 0.11 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3isf h LYS 57 CO -0.00 0.80 0.25 -0.07 -0.57 0.00 0.00 179.45 179.86 3isf h LEU 58 N 1.25 0.43 -0.38 2.94 3.38 -1.10 -1.14 115.31 120.68 3isf h LEU 58 Ca 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3isf h LEU 58 Cb -0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3isf h LEU 58 CO -0.07 0.31 0.22 0.40 0.09 0.00 0.00 178.44 179.38 3isf h ILE 59 N 0.51 1.14 -0.35 1.22 2.04 -0.53 0.43 117.51 121.98 3isf h ILE 59 Ca 0.15 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3isf h ILE 59 Cb -0.04 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3isf h ILE 59 CO -0.05 0.14 0.22 -0.33 0.00 0.00 0.00 178.15 178.14 3isf h GLU 60 N 0.49 0.44 -0.18 2.37 5.08 -0.79 -2.33 114.58 119.67 3isf h GLU 60 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3isf h GLU 60 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3isf h GLU 60 CO -0.02 0.29 0.12 -0.09 -1.00 0.00 0.00 179.01 178.30 3isf h ARG 61 N 0.45 0.24 -0.64 2.33 9.65 -1.05 -1.30 114.38 124.07 3isf h ARG 61 Ca 0.13 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.10 3isf h ARG 61 Cb -0.04 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.41 3isf h ARG 61 CO -0.04 0.17 0.21 0.82 2.80 0.00 0.00 179.97 183.93 3isf h ILE 62 N 0.23 0.70 -0.36 1.20 2.04 -0.84 -1.72 117.51 118.77 3isf h ILE 62 Ca 0.06 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 3isf h ILE 62 Cb -0.02 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3isf h ILE 62 CO -0.01 0.07 -0.24 -0.07 0.00 0.00 0.00 178.15 177.89 3isf h LEU 63 N 0.37 0.84 -1.31 1.44 -0.00 -1.23 0.24 115.31 115.65 3isf h LEU 63 Ca 0.33 -0.43 0.15 0.00 -0.00 0.00 0.00 57.88 57.93 3isf h LEU 63 Cb 0.46 -0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 40.82 3isf h LEU 63 CO -0.36 1.09 0.57 0.15 -0.00 0.00 0.00 178.44 179.89 3isf h PHE 64 N 0.59 0.79 -0.06 1.13 3.57 -0.99 -0.96 116.94 121.01 3isf h PHE 64 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3isf h PHE 64 Cb 0.81 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3isf h PHE 64 CO 0.06 0.29 0.00 1.28 -2.23 0.00 0.00 178.31 177.71 3isf n LEU 65 N -4.56 0.85 -0.77 0.59 4.77 -0.46 -4.83 117.00 112.60 3isf n LEU 65 Ca 0.17 -0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 3isf n LEU 65 Cb 0.49 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 3isf n LEU 65 CO 0.29 0.17 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.81 3isf n GLU 66 N -0.25 -0.61 -2.73 3.23 1.02 -0.36 0.06 120.64 120.98 3isf n GLU 66 Ca 0.17 0.61 -0.23 0.00 -0.02 0.00 0.00 57.16 57.70 3isf n GLU 66 Cb 0.21 -4.51 0.10 0.00 -0.02 0.00 0.00 31.44 27.23 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 -2.78 1.74 -0.29 0.62 0.00 -0.05 -4.95 107.32 101.60 3isf s GLY 67 Ca 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 44.72 42.75 3isf s GLY 67 CO 0.00 -1.36 0.00 1.08 0.00 0.00 0.00 173.10 172.82 3isf s LEU 68 N -5.03 3.71 0.29 0.66 1.43 -1.26 -4.27 118.68 114.21 3isf s LEU 68 Ca 0.66 -1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 3isf s LEU 68 Cb -0.05 -1.74 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 3isf s LEU 68 CO 0.43 -0.22 1.29 -2.84 0.23 0.00 0.00 176.35 175.25 3isf s PRO 69 N 1.33 4.39 -0.62 1.29 0.02 -1.26 -4.94 135.00 135.21 3isf s PRO 69 Ca -0.02 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 62.98 3isf s PRO 69 Cb -0.18 -3.12 0.15 0.00 0.02 0.00 0.00 34.50 31.37 3isf s PRO 69 CO -0.01 -0.17 0.58 1.21 -0.33 0.00 0.00 177.00 178.28 3isf s ASN 70 N -0.28 6.35 -0.06 2.53 3.84 -1.26 -4.87 114.94 121.19 3isf s ASN 70 Ca 0.51 -2.03 0.20 0.00 0.21 0.00 0.00 52.86 51.75 3isf s ASN 70 Cb -0.38 -2.21 0.66 0.00 -0.55 0.00 0.00 41.25 38.76 3isf s ASN 70 CO 0.47 -0.79 1.57 0.18 -2.79 0.00 0.00 177.10 175.74 3isf n LEU 71 N 4.94 4.29 -0.05 3.21 4.32 -1.26 -4.64 117.00 127.82 3isf n LEU 71 Ca -0.06 -2.24 -0.14 0.00 -0.02 0.00 0.00 56.01 53.55 3isf n LEU 71 Cb 0.42 -0.52 -0.14 0.00 -1.62 0.00 0.00 43.42 41.56 3isf n LEU 71 CO 0.48 0.88 -0.86 1.67 -1.22 0.00 0.00 177.39 178.35 3isf n GLN 72 N 1.28 0.68 -3.13 3.23 -0.06 -1.26 -4.83 117.38 113.30 3isf n GLN 72 Ca 0.24 0.20 -0.40 0.00 -2.00 0.00 0.00 57.00 55.04 3isf n GLN 72 Cb 0.75 -1.67 -0.06 0.00 -4.06 0.00 0.00 30.24 25.19 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 -6.30 6.59 -0.21 1.69 1.01 -1.26 -5.03 116.67 113.16 3isf s ASP 73 Ca -0.15 0.72 -0.00 0.00 0.71 0.00 0.00 52.55 53.82 3isf s ASP 73 Cb 0.07 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.69 3isf s ASP 73 CO 0.78 -0.33 -0.14 -0.22 0.21 0.00 0.00 175.17 175.47 3isf s LEU 74 N 2.30 2.56 0.00 1.23 2.96 -1.26 -4.94 118.68 121.53 3isf s LEU 74 Ca 0.26 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3isf s LEU 74 Cb -0.16 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3isf s LEU 74 CO 0.09 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 3isf n GLY 75 N 4.65 -1.24 3.66 7.98 0.00 -1.26 -4.96 105.19 114.02 3isf n GLY 75 Ca -0.19 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.10 4.23 0.15 1.61 2.47 -1.26 -4.90 119.74 120.94 3isf s LYS 76 Ca 0.00 0.76 -0.30 0.00 -1.56 0.00 0.00 55.97 54.87 3isf s LYS 76 Cb 0.00 -3.58 -0.07 0.00 -1.46 0.00 0.00 37.83 32.72 3isf s LYS 76 CO 0.00 -0.29 1.02 -0.51 0.16 0.00 0.00 175.35 175.73 3isf s LEU 77 N 2.05 4.51 -0.50 5.43 1.02 -1.26 -5.02 118.68 124.91 3isf s LEU 77 Ca 0.32 1.93 -0.12 0.00 0.02 0.00 0.00 54.13 56.28 3isf s LEU 77 Cb -0.16 -3.60 0.12 0.00 0.02 0.00 0.00 46.19 42.58 3isf s LEU 77 CO 0.11 -0.11 0.41 -0.76 0.02 0.00 0.00 176.35 176.02 3isf s LEU 78 N -0.26 5.89 -0.27 1.79 1.43 -1.26 -5.05 118.68 120.95 3isf s LEU 78 Ca 0.47 -1.87 -0.07 0.00 -1.03 0.00 0.00 54.13 51.63 3isf s LEU 78 Cb -0.26 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 3isf s LEU 78 CO 0.32 -0.76 0.07 -0.63 0.23 0.00 0.00 176.35 175.58 3isf s ILE 79 N 1.45 4.07 0.73 -0.59 -1.09 -1.26 -4.72 121.20 119.79 3isf s ILE 79 Ca 0.05 -0.48 -0.08 0.00 -2.23 0.00 0.00 60.65 57.91 3isf s ILE 79 Cb -0.28 -3.01 0.07 0.00 -1.58 0.00 0.00 42.46 37.67 3isf s ILE 79 CO 0.01 0.20 1.06 -0.83 -1.23 0.00 0.00 174.94 174.14 3isf s GLY 80 N 1.54 1.67 0.00 6.18 0.00 -1.26 -5.00 107.32 110.46 3isf s GLY 80 Ca 0.04 -0.89 0.08 0.00 0.00 0.00 0.00 44.72 43.95 3isf s GLY 80 CO 0.02 -0.46 0.67 -1.84 0.00 0.00 0.00 173.10 171.49 3isf n GLU 81 N -3.02 0.97 -4.17 2.90 0.28 -1.26 -4.78 120.64 111.56 3isf n GLU 81 Ca 0.08 -0.79 -0.16 0.00 -0.16 0.00 0.00 57.16 56.13 3isf n GLU 81 Cb 0.61 -1.09 -0.06 0.00 1.43 0.00 0.00 31.44 32.32 3isf n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3isf s ASN 82 N -0.85 1.18 0.07 -1.84 2.20 -1.26 -5.02 114.94 109.42 3isf s ASN 82 Ca 0.08 -1.59 -0.26 0.00 -0.94 0.00 0.00 52.86 50.16 3isf s ASN 82 Cb 0.06 0.61 -0.16 0.00 -2.00 0.00 0.00 41.25 39.76 3isf s ASN 82 CO 0.13 -1.18 1.64 0.74 -2.94 0.00 0.00 177.10 175.49 3isf h THR 83 N 2.14 0.87 -0.65 0.54 2.02 -1.99 0.98 112.91 116.82 3isf h THR 83 Ca -0.27 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 66.86 3isf h THR 83 Cb 1.24 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 68.53 3isf h THR 83 CO 0.38 0.03 0.29 1.56 0.37 0.00 0.00 175.52 178.16 3isf h GLN 84 N -0.29 0.49 -0.26 6.66 4.20 -2.00 -0.81 115.11 123.10 3isf h GLN 84 Ca -0.02 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 3isf h GLN 84 Cb 0.23 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3isf h GLN 84 CO 0.04 0.32 -0.42 0.93 -0.67 0.00 0.00 178.83 179.03 3isf h GLU 85 N 0.50 0.63 -0.14 1.46 5.08 -1.83 -2.60 114.58 117.69 3isf h GLU 85 Ca 0.33 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3isf h GLU 85 Cb 0.37 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3isf h GLU 85 CO -0.28 0.94 0.08 0.52 -1.00 0.00 0.00 179.01 179.27 3isf h MET 86 N 0.52 0.19 -0.47 2.33 2.86 0.05 0.03 114.93 120.43 3isf h MET 86 Ca 0.04 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 3isf h MET 86 Cb 0.94 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.51 3isf h MET 86 CO 0.09 0.16 0.14 -0.07 1.06 0.00 0.00 176.91 178.29 3isf h LEU 87 N 0.16 0.11 -1.06 1.22 3.38 -1.21 -1.51 115.31 116.40 3isf h LEU 87 Ca 0.05 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3isf h LEU 87 Cb 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3isf h LEU 87 CO -0.01 0.09 -0.21 -0.61 0.09 0.00 0.00 178.44 177.79 3isf h GLN 88 N 0.30 0.41 -0.41 1.13 5.75 -1.26 -1.10 115.11 119.92 3isf h GLN 88 Ca 0.23 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 3isf h GLN 88 Cb 0.26 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 3isf h GLN 88 CO -0.26 0.61 -0.27 0.00 -2.65 0.00 0.00 178.83 176.26 3isf h ASP 90 N 0.75 0.43 -0.70 0.00 3.32 -0.95 -1.35 116.42 117.93 3isf h ASP 90 Ca 0.09 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3isf h ASP 90 Cb 0.83 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 3isf h ASP 90 CO 0.07 0.31 0.19 0.25 -1.72 0.00 0.00 179.24 178.34 3isf h LEU 91 N 0.51 1.04 -0.63 1.55 5.85 -0.97 -1.46 115.31 121.20 3isf h LEU 91 Ca 0.14 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3isf h LEU 91 Cb -0.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3isf h LEU 91 CO -0.03 0.99 0.37 0.78 -0.34 0.00 0.00 178.44 180.21 3isf h ASN 92 N 1.04 0.76 -0.39 1.25 2.35 -0.84 -0.45 115.58 119.30 3isf h ASN 92 Ca 0.22 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3isf h ASN 92 Cb 0.34 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3isf h ASN 92 CO -0.00 0.61 0.22 0.25 -1.65 0.00 0.00 177.43 176.86 3isf h LEU 93 N 0.85 0.36 -0.73 1.61 5.85 -0.97 -2.97 115.31 119.31 3isf h LEU 93 Ca 0.22 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 3isf h LEU 93 Cb -0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3isf h LEU 93 CO -0.04 0.26 -0.38 -0.33 -0.34 0.00 0.00 178.44 177.61 3isf h GLU 94 N 0.46 0.53 -0.18 1.25 4.39 -0.75 -0.96 114.58 119.32 3isf h GLU 94 Ca 0.16 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3isf h GLU 94 Cb 0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3isf h GLU 94 CO -0.08 0.83 0.05 -0.07 -1.16 0.00 0.00 179.01 178.58 3isf h LEU 95 N 0.44 0.05 -0.73 1.33 3.38 -1.07 -0.74 115.31 117.98 3isf h LEU 95 Ca 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3isf h LEU 95 Cb 0.86 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3isf h LEU 95 CO 0.07 0.06 0.37 0.50 0.09 0.00 0.00 178.44 179.53 3isf h LYS 96 N 0.14 1.03 -0.80 1.13 1.63 -1.34 -2.46 116.57 115.90 3isf h LYS 96 Ca 0.08 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3isf h LYS 96 Cb 0.06 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 3isf h LYS 96 CO -0.09 0.79 0.37 0.00 -3.45 0.00 0.00 179.45 177.07 3isf h ALA 97 N 1.19 1.15 -0.05 5.00 0.00 -0.83 -1.31 119.26 124.41 3isf h ALA 97 Ca 0.25 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3isf h ALA 97 Cb 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.56 3isf h ALA 97 CO -0.04 0.64 -0.89 1.15 0.00 0.00 0.00 179.25 180.11 3isf h THR 98 N 1.14 1.35 -0.32 0.00 2.02 -1.14 -1.12 112.91 114.84 3isf h THR 98 Ca 0.27 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 3isf h THR 98 Cb 0.13 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3isf h THR 98 CO -0.03 0.68 0.17 0.50 0.37 0.00 0.00 175.52 177.21 3isf h LYS 99 N 0.33 0.45 -0.34 6.66 3.64 -1.08 -2.36 116.57 123.88 3isf h LYS 99 Ca -0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3isf h LYS 99 Cb 1.51 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 3isf h LYS 99 CO 0.16 0.39 0.14 -0.44 -2.27 0.00 0.00 179.45 177.44 3isf h ASP 100 N 0.39 0.42 -0.37 4.20 3.32 -1.12 -2.64 116.42 120.62 3isf h ASP 100 Ca 0.11 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3isf h ASP 100 Cb 0.08 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3isf h ASP 100 CO -0.02 0.37 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.78 3isf h LEU 101 N 0.47 0.67 -0.43 1.55 -0.00 -1.03 -1.49 115.31 115.05 3isf h LEU 101 Ca 0.12 -0.33 0.06 0.00 -0.00 0.00 0.00 57.88 57.73 3isf h LEU 101 Cb 0.08 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 40.51 3isf h LEU 101 CO -0.01 0.84 0.12 0.03 -0.00 0.00 0.00 178.44 179.41 3isf h ARG 102 N 0.49 0.26 -0.62 1.13 3.08 -1.25 0.11 114.38 117.58 3isf h ARG 102 Ca 0.10 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3isf h ARG 102 Cb 0.51 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3isf h ARG 102 CO 0.03 0.17 0.15 0.93 -1.07 0.00 0.00 179.97 180.18 3isf h GLU 103 N 0.26 0.96 -0.61 0.04 5.08 -1.45 -0.99 114.58 117.87 3isf h GLU 103 Ca 0.20 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3isf h GLU 103 Cb 0.23 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3isf h GLU 103 CO -0.24 0.86 0.33 0.00 -1.00 0.00 0.00 179.01 178.95 3isf h ALA 104 N 1.24 0.79 -0.52 3.43 0.00 -0.75 -2.59 119.26 120.85 3isf h ALA 104 Ca 0.20 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3isf h ALA 104 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3isf h ALA 104 CO -0.00 0.31 -0.11 0.82 0.00 0.00 0.00 179.25 180.27 3isf h ILE 105 N 0.84 1.27 -0.37 0.00 2.04 -0.21 -0.14 117.51 120.93 3isf h ILE 105 Ca 0.22 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.86 3isf h ILE 105 Cb 0.06 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3isf h ILE 105 CO -0.03 0.44 0.15 0.58 0.00 0.00 0.00 178.15 179.28 3isf h VAL 106 N 0.87 0.91 -0.45 1.67 2.07 -1.11 -1.49 116.25 118.72 3isf h VAL 106 Ca 0.14 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3isf h VAL 106 Cb 0.66 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3isf h VAL 106 CO 0.05 0.06 0.19 -0.74 0.02 0.00 0.00 177.57 177.14 3isf h HIS 107 N 0.31 0.69 -0.82 1.57 -0.00 -1.00 -2.08 115.15 113.81 3isf h HIS 107 Ca 0.17 -0.05 0.07 0.00 -0.00 0.00 0.00 60.37 60.56 3isf h HIS 107 Cb 0.13 -0.21 -0.07 0.00 -0.00 0.00 0.00 27.41 27.27 3isf h HIS 107 CO -0.13 0.58 0.49 0.00 -0.00 0.00 0.00 177.93 178.87 3isf h GLU 109 N 0.87 1.08 -0.53 0.00 4.57 -1.09 0.13 114.58 119.61 3isf h GLU 109 Ca 0.38 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 3isf h GLU 109 Cb 0.25 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3isf h GLU 109 CO -0.20 0.74 0.17 0.37 -1.18 0.00 0.00 179.01 178.91 3isf h GLN 110 N 1.11 0.82 -0.62 1.92 4.15 -0.54 -2.13 115.11 119.81 3isf h GLN 110 Ca 0.30 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3isf h GLN 110 Cb -0.10 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3isf h GLN 110 CO -0.06 0.75 0.00 1.33 -1.93 0.00 0.00 178.83 178.92 3isf n VAL 111 N -4.48 1.10 -1.79 2.39 0.24 -0.75 -4.96 118.33 110.09 3isf n VAL 111 Ca 0.02 -0.89 -0.12 0.00 -2.04 0.00 0.00 64.34 61.32 3isf n VAL 111 Cb 0.19 0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 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 1.16 -0.28 -2.97 6.34 8.25 -0.35 -4.95 115.22 122.42 3isf n HIS 112 Ca 0.21 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.23 3isf n HIS 112 Cb 0.62 -2.43 -0.00 0.00 1.12 0.00 0.00 29.99 29.30 3isf n HIS 112 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3isf s ASP 113 N -2.67 7.03 0.42 0.41 -1.08 0.30 -4.81 116.67 116.27 3isf s ASP 113 Ca 0.00 -2.91 0.23 0.00 -0.52 0.00 0.00 52.55 49.35 3isf s ASP 113 Cb 0.00 -2.39 0.33 0.00 -1.46 0.00 0.00 42.92 39.40 3isf s ASP 113 CO 0.00 -0.76 1.58 1.88 0.52 0.00 0.00 175.17 178.40 3isf h TYR 114 N 7.34 0.00 -0.00 -5.34 0.05 -1.93 -2.27 116.97 114.83 3isf h TYR 114 Ca 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 3isf h TYR 114 Cb 0.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 3isf h TYR 114 CO 1.09 0.00 -0.08 0.28 -1.05 0.00 0.00 178.16 178.40 3isf h VAL 115 N 0.00 1.58 -0.81 -2.88 2.07 -1.97 -1.77 116.25 112.47 3isf h VAL 115 Ca 0.00 -1.81 0.12 0.00 0.82 0.00 0.00 66.70 65.84 3isf h VAL 115 Cb 1.00 2.77 -0.09 0.00 -1.52 0.00 0.00 31.29 33.45 3isf h VAL 115 CO 0.00 0.48 0.42 0.28 0.02 0.00 0.00 177.57 178.77 3isf h SER 116 N -0.66 0.54 -0.37 0.57 0.02 -1.97 0.30 113.55 111.99 3isf h SER 116 Ca -0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3isf h SER 116 Cb 0.83 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3isf h SER 116 CO 0.02 0.26 0.24 -0.09 -1.14 0.00 0.00 176.83 176.12 3isf h ARG 117 N 0.65 0.49 -0.57 3.45 2.43 -1.40 -0.51 114.38 118.92 3isf h ARG 117 Ca 0.42 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3isf h ARG 117 Cb 0.53 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3isf h ARG 117 CO -0.32 0.33 0.15 0.22 -1.51 0.00 0.00 179.97 178.85 3isf h ASP 118 N 0.50 0.85 -0.65 -3.80 3.58 -0.22 0.25 116.42 116.93 3isf h ASP 118 Ca 0.14 -0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.41 3isf h ASP 118 Cb -0.05 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.73 3isf h ASP 118 CO -0.03 0.85 0.38 0.25 -2.88 0.00 0.00 179.24 177.81 3isf h LEU 119 N 0.80 0.59 -0.61 2.28 6.46 -0.64 -2.19 115.31 122.00 3isf h LEU 119 Ca 0.18 0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.81 3isf h LEU 119 Cb 0.32 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3isf h LEU 119 CO -0.00 0.40 -0.51 -0.07 -0.62 0.00 0.00 178.44 177.63 3isf h LEU 120 N 0.72 0.52 -1.38 2.25 3.38 -0.36 -2.30 115.31 118.15 3isf h LEU 120 Ca 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3isf h LEU 120 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3isf h LEU 120 CO -0.14 0.94 0.11 0.50 0.09 0.00 0.00 178.44 179.93 3isf h LYS 121 N 0.37 0.53 -0.24 1.13 3.64 -0.69 0.44 116.57 121.75 3isf h LYS 121 Ca 0.01 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 3isf h LYS 121 Cb 1.03 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3isf h LYS 121 CO 0.09 0.47 -0.45 -0.44 -2.27 0.00 0.00 179.45 176.86 3isf h ASP 122 N 0.52 0.81 -0.70 4.20 3.32 -0.90 -1.35 116.42 122.33 3isf h ASP 122 Ca 0.12 -0.54 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 3isf h ASP 122 Cb 0.17 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3isf h ASP 122 CO -0.01 1.20 0.32 0.40 -1.72 0.00 0.00 179.24 179.43 3isf h ILE 123 N 0.46 1.24 -0.80 0.35 2.04 -1.26 -2.64 117.51 116.90 3isf h ILE 123 Ca 0.01 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3isf h ILE 123 Cb 1.05 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3isf h ILE 123 CO 0.10 0.28 0.51 0.25 0.00 0.00 0.00 178.15 179.29 3isf h LEU 124 N 0.98 0.93 -0.84 1.44 5.85 -0.73 -0.18 115.31 122.77 3isf h LEU 124 Ca 0.24 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3isf h LEU 124 Cb 0.14 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3isf h LEU 124 CO -0.03 0.70 0.32 -0.08 -0.34 0.00 0.00 178.44 179.01 3isf h GLU 125 N 1.09 1.18 -0.27 1.25 4.81 -1.06 0.14 114.58 121.70 3isf h GLU 125 Ca 0.29 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 3isf h GLU 125 Cb -0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 3isf h GLU 125 CO -0.06 0.95 -0.45 0.77 -0.73 0.00 0.00 179.01 179.49 3isf h SER 126 N 1.15 0.76 -0.68 1.04 0.02 -1.06 -1.36 113.55 113.42 3isf h SER 126 Ca 0.27 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 3isf h SER 126 Cb 0.20 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3isf h SER 126 CO -0.02 1.10 0.17 -0.33 -1.14 0.00 0.00 176.83 176.60 3isf h GLU 127 N 0.57 1.10 -0.65 3.45 4.39 -0.70 -1.21 114.58 121.52 3isf h GLU 127 Ca 0.04 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3isf h GLU 127 Cb 1.00 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 3isf h GLU 127 CO 0.09 0.97 0.38 0.93 -1.16 0.00 0.00 179.01 180.23 3isf h GLU 128 N 1.03 0.88 -0.31 2.33 5.08 -0.65 -0.23 114.58 122.71 3isf h GLU 128 Ca 0.22 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3isf h GLU 128 Cb 0.37 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3isf h GLU 128 CO 0.00 0.64 0.17 0.93 -1.00 0.00 0.00 179.01 179.75 3isf h GLU 129 N 0.88 0.42 -0.35 2.33 5.08 -0.97 -1.34 114.58 120.63 3isf h GLU 129 Ca 0.23 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3isf h GLU 129 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3isf h GLU 129 CO -0.04 0.31 -0.17 1.25 -1.00 0.00 0.00 179.01 179.36 3isf h HIS 130 N 0.43 0.83 -0.86 4.33 2.76 -0.56 -1.72 115.15 120.36 3isf h HIS 130 Ca 0.11 -0.21 0.10 0.00 -2.20 0.00 0.00 60.37 58.17 3isf h HIS 130 Cb 0.01 -0.19 -0.08 0.00 1.55 0.00 0.00 27.41 28.70 3isf h HIS 130 CO 0.00 0.93 0.50 0.82 -1.30 0.00 0.00 177.93 178.88 3isf h ILE 131 N 0.50 0.91 -0.03 6.26 2.04 -0.68 -0.94 117.51 125.57 3isf h ILE 131 Ca 0.08 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3isf h ILE 131 Cb 0.71 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3isf h ILE 131 CO 0.05 0.15 0.02 -0.78 0.00 0.00 0.00 178.15 177.59 3isf h ASP 132 N 0.82 0.04 -0.43 1.72 3.58 -0.91 -0.35 116.42 120.89 3isf h ASP 132 Ca 0.42 -0.04 0.08 0.00 0.42 0.00 0.00 57.03 57.91 3isf h ASP 132 Cb 0.39 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.36 3isf h ASP 132 CO -0.25 0.06 -0.01 0.22 -2.88 0.00 0.00 179.24 176.38 3isf h TYR 133 N 0.01 -0.04 -0.14 0.28 3.20 -0.97 0.93 116.97 120.24 3isf h TYR 133 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3isf h TYR 133 Cb 0.03 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3isf h TYR 133 CO -0.06 -0.10 0.00 -0.07 -1.64 0.00 0.00 178.16 176.29 3isf h LEU 134 N 0.10 0.24 -0.69 2.82 -0.00 -0.78 -0.86 115.31 116.14 3isf h LEU 134 Ca 0.21 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 3isf h LEU 134 Cb 0.31 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 3isf h LEU 134 CO -0.36 0.48 0.44 -0.33 -0.00 0.00 0.00 178.44 178.66 3isf h GLU 135 N -0.01 0.92 -0.62 1.13 5.08 -0.94 -1.87 114.58 118.27 3isf h GLU 135 Ca 0.04 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3isf h GLU 135 Cb 0.35 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3isf h GLU 135 CO 0.01 0.63 0.34 1.15 -1.00 0.00 0.00 179.01 180.14 3isf h THR 136 N 0.93 0.99 -0.29 1.13 2.02 -0.60 -1.00 112.91 116.08 3isf h THR 136 Ca 0.25 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 3isf h THR 136 Cb -0.07 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3isf h THR 136 CO -0.05 0.12 -0.17 1.56 0.37 0.00 0.00 175.52 177.35 3isf h GLN 137 N 0.65 0.62 -0.80 6.66 1.08 -0.58 -0.53 115.11 122.22 3isf h GLN 137 Ca 0.27 -0.28 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 3isf h GLN 137 Cb 0.14 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.49 3isf h GLN 137 CO -0.16 0.87 0.46 -0.07 -0.95 0.00 0.00 178.83 178.98 3isf h LEU 138 N 0.37 0.68 -1.26 1.46 -0.00 -1.29 -0.60 115.31 114.68 3isf h LEU 138 Ca 0.06 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.92 3isf h LEU 138 Cb 0.70 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 3isf h LEU 138 CO 0.05 0.41 -0.08 1.23 -0.00 0.00 0.00 178.44 180.04 3isf h GLY 139 N 0.80 0.44 1.41 0.83 0.00 -0.89 -2.89 103.07 102.77 3isf h GLY 139 Ca 0.37 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 3isf h GLY 139 CO -0.22 0.25 -0.62 1.41 0.00 0.00 0.00 176.54 177.37 3isf h LEU 140 N 0.39 0.68 -0.99 3.11 3.38 -0.39 -0.57 115.31 120.92 3isf h LEU 140 Ca 0.08 -0.40 0.14 0.00 0.09 0.00 0.00 57.88 57.80 3isf h LEU 140 Cb 0.39 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3isf h LEU 140 CO 0.02 1.14 0.61 0.40 0.09 0.00 0.00 178.44 180.69 3isf h ILE 141 N 0.44 0.84 -0.08 1.22 2.04 -0.97 0.18 117.51 121.18 3isf h ILE 141 Ca -0.01 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3isf h ILE 141 Cb 1.19 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3isf h ILE 141 CO 0.12 0.16 -0.26 1.56 0.00 0.00 0.00 178.15 179.73 3isf h GLN 142 N 0.89 0.33 -0.33 2.37 1.08 -1.28 -0.78 115.11 117.38 3isf h GLN 142 Ca 0.52 -0.24 -0.18 0.00 -1.45 0.00 0.00 58.65 57.30 3isf h GLN 142 Cb 0.63 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.10 3isf h GLN 142 CO -0.31 0.86 -0.48 0.87 -0.95 0.00 0.00 178.83 178.82 3isf h LYS 143 N -0.15 0.89 0.00 1.46 1.57 -0.67 -3.30 116.57 116.37 3isf h LYS 143 Ca -0.01 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3isf h LYS 143 Cb 0.89 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3isf h LYS 143 CO 0.06 1.17 -0.96 1.33 -0.57 0.00 0.00 179.45 180.48 3isf n VAL 144 N -4.03 0.00 0.00 0.50 0.24 0.61 -5.08 118.33 110.57 3isf n VAL 144 Ca -0.03 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3isf n VAL 144 Cb 0.60 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 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 1.46 -1.16 0.15 7.63 0.00 -0.31 -4.39 105.19 108.57 3isf n GLY 145 Ca 0.03 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 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 0.27 -0.34 0.99 5.85 -1.88 -1.07 115.31 119.13 3isf h LEU 146 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3isf h LEU 146 Cb 0.00 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3isf h LEU 146 CO 0.00 0.20 0.07 -0.33 -0.34 0.00 0.00 178.44 178.04 3isf h GLU 147 N 0.37 0.18 -0.48 1.25 5.08 -1.93 -0.36 114.58 118.68 3isf h GLU 147 Ca 0.14 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3isf h GLU 147 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3isf h GLU 147 CO -0.09 0.12 0.11 -0.91 -1.00 0.00 0.00 179.01 177.24 3isf h ASN 148 N 0.19 0.74 -0.26 1.42 2.35 -1.73 -1.11 115.58 117.17 3isf h ASN 148 Ca 0.16 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3isf h ASN 148 Cb 0.18 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3isf h ASN 148 CO -0.21 0.78 0.02 0.22 -1.65 0.00 0.00 177.43 176.59 3isf h TYR 149 N 0.66 0.02 -0.56 1.19 3.20 -1.04 -0.01 116.97 120.42 3isf h TYR 149 Ca 0.15 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 3isf h TYR 149 Cb 0.34 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3isf h TYR 149 CO 0.02 -0.02 0.09 -0.07 -1.64 0.00 0.00 178.16 176.54 3isf h LEU 150 N 0.10 0.85 -0.91 2.82 3.38 -1.03 -2.97 115.31 117.55 3isf h LEU 150 Ca 0.12 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3isf h LEU 150 Cb 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3isf h LEU 150 CO -0.20 0.86 0.22 -0.61 0.09 0.00 0.00 178.44 178.80 3isf h GLN 151 N 0.85 1.01 0.00 1.13 4.15 -0.53 -1.41 115.11 120.31 3isf h GLN 151 Ca 0.18 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3isf h GLN 151 Cb 0.37 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.91 3isf h GLN 151 CO 0.01 0.86 0.00 0.43 -1.93 0.00 0.00 178.83 178.20 3isf n SER 152 N -4.27 0.00 -0.02 -0.69 7.64 -0.08 -2.54 113.62 113.65 3isf n SER 152 Ca 0.05 0.30 0.03 0.00 1.01 0.00 0.00 58.87 60.26 3isf n SER 152 Cb 0.21 -0.38 0.04 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.38 0.00 -0.03 1.43 8.25 -0.55 -4.70 115.22 118.24 3isf n HIS 153 Ca 0.04 -0.65 -0.13 0.00 -0.26 0.00 0.00 57.72 56.72 3isf n HIS 153 Cb 0.10 -0.08 -0.09 0.00 1.12 0.00 0.00 29.99 31.04 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 0.00 0.15 -5.87 -0.41 2.07 -1.25 -1.69 114.93 107.93 3isf h MET 154 Ca 0.00 -0.08 -0.63 0.00 -2.07 0.00 0.00 59.70 56.92 3isf h MET 154 Cb 0.66 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.34 3isf h MET 154 CO 0.00 0.61 -0.39 -1.01 1.07 0.00 0.00 176.91 177.19 3isf s HIS 155 N -4.23 3.59 -2.00 -0.22 3.76 -1.26 -2.38 115.29 112.55 3isf s HIS 155 Ca -0.15 0.59 0.12 0.00 -0.15 0.00 0.00 55.06 55.47 3isf s HIS 155 Cb 0.03 -2.00 0.71 0.00 1.11 0.00 0.00 32.58 32.43 3isf s HIS 155 CO 0.71 0.64 1.14 0.39 -0.85 0.00 0.00 174.74 176.77