#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 0.21 3.14 0.00 0.90 -5.00 107.32 108.21 3isf s GLY 3 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 44.72 44.55 3isf s GLY 3 CO 0.00 0.63 1.51 1.34 0.00 0.00 0.00 173.10 176.57 3isf n ASP 4 N -4.02 3.05 -0.23 1.64 2.03 -1.26 -4.96 116.55 112.80 3isf n ASP 4 Ca 0.08 1.12 -0.04 0.00 0.52 0.00 0.00 54.79 56.47 3isf n ASP 4 Cb 0.54 -1.45 0.07 0.00 -0.72 0.00 0.00 41.12 39.56 3isf n ASP 4 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3isf h LYS 5 N 5.07 0.78 0.00 -0.67 3.64 -1.98 -2.09 116.57 121.32 3isf h LYS 5 Ca -0.45 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 3isf h LYS 5 Cb 1.26 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3isf h LYS 5 CO 0.82 0.52 -0.28 0.87 -2.27 0.00 0.00 179.45 179.11 3isf h LYS 6 N 0.81 0.00 0.08 1.90 6.56 -1.99 -1.12 116.57 122.81 3isf h LYS 6 Ca 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 3isf h LYS 6 Cb 0.03 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 3isf h LYS 6 CO -0.11 0.28 -0.08 0.28 -2.06 0.00 0.00 179.45 177.77 3isf h VAL 7 N 0.00 0.83 -0.59 0.50 2.07 -1.79 -1.65 116.25 115.61 3isf h VAL 7 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3isf h VAL 7 Cb 1.07 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3isf h VAL 7 CO 0.04 0.00 0.37 0.40 0.02 0.00 0.00 177.57 178.39 3isf h ILE 8 N -0.17 1.08 -0.25 4.57 2.04 -1.26 0.29 117.51 123.81 3isf h ILE 8 Ca 0.00 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.66 3isf h ILE 8 Cb 0.16 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3isf h ILE 8 CO -0.02 0.13 -0.03 1.56 0.00 0.00 0.00 178.15 179.79 3isf h GLN 9 N 0.72 0.04 -0.41 2.37 4.20 -1.08 -0.55 115.11 120.39 3isf h GLN 9 Ca 0.24 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.00 3isf h GLN 9 Cb 0.01 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3isf h GLN 9 CO -0.09 0.02 0.12 0.45 -0.67 0.00 0.00 178.83 178.66 3isf h HIS 10 N 0.04 0.22 -1.01 2.96 3.86 -0.85 -0.53 115.15 119.84 3isf h HIS 10 Ca 0.12 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 3isf h HIS 10 Cb 0.17 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 3isf h HIS 10 CO -0.23 0.07 0.66 -0.07 0.86 0.00 0.00 177.93 179.22 3isf h LEU 11 N 0.27 1.11 -0.99 2.43 3.38 -0.58 -0.16 115.31 120.77 3isf h LEU 11 Ca 0.19 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3isf h LEU 11 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3isf h LEU 11 CO -0.22 0.77 -0.38 0.78 0.09 0.00 0.00 178.44 179.48 3isf h ASN 12 N 1.29 0.00 -0.16 -0.43 2.35 -0.82 -0.47 115.58 117.35 3isf h ASN 12 Ca 0.39 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.99 3isf h ASN 12 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3isf h ASN 12 CO -0.12 0.38 -0.52 0.50 -1.65 0.00 0.00 177.43 176.02 3isf h LYS 13 N 0.00 0.63 -0.35 0.81 3.64 0.34 -0.99 116.57 120.66 3isf h LYS 13 Ca -0.00 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 3isf h LYS 13 Cb 0.87 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3isf h LYS 13 CO 0.05 1.09 -0.01 0.82 -2.27 0.00 0.00 179.45 179.13 3isf h ILE 14 N 0.30 1.20 -0.50 2.00 1.08 -0.91 -1.99 117.51 118.70 3isf h ILE 14 Ca -0.02 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.58 3isf h ILE 14 Cb 1.14 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 3isf h ILE 14 CO 0.11 0.28 0.10 0.25 -0.69 0.00 0.00 178.15 178.20 3isf h LEU 15 N 0.52 0.78 -1.25 1.44 5.85 -1.00 -0.89 115.31 120.77 3isf h LEU 15 Ca 0.11 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3isf h LEU 15 Cb 0.35 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3isf h LEU 15 CO 0.01 0.83 0.46 1.23 -0.34 0.00 0.00 178.44 180.63 3isf h GLY 16 N 0.69 1.04 0.97 3.75 0.00 -0.87 0.28 103.07 108.94 3isf h GLY 16 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3isf h GLY 16 CO 0.01 0.39 0.18 3.43 0.00 0.00 0.00 176.54 180.55 3isf h ASN 17 N 0.99 0.70 -0.61 0.19 2.35 -0.58 -2.37 115.58 116.26 3isf h ASN 17 Ca 0.27 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3isf h ASN 17 Cb -0.08 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.05 3isf h ASN 17 CO -0.05 0.70 0.33 -0.33 -1.65 0.00 0.00 177.43 176.43 3isf h GLU 18 N 0.67 0.61 -0.69 0.81 4.39 -0.83 -2.06 114.58 117.49 3isf h GLU 18 Ca 0.16 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 3isf h GLU 18 Cb 0.23 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3isf h GLU 18 CO -0.01 0.41 0.19 -0.07 -1.16 0.00 0.00 179.01 178.37 3isf h LEU 19 N 0.63 1.01 0.19 1.33 3.38 -0.60 0.15 115.31 121.40 3isf h LEU 19 Ca 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3isf h LEU 19 Cb 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3isf h LEU 19 CO -0.16 0.95 -0.12 0.40 0.09 0.00 0.00 178.44 179.60 3isf h ILE 20 N 1.03 0.74 -0.59 1.22 2.04 -1.33 -2.95 117.51 117.66 3isf h ILE 20 Ca 0.22 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.10 3isf h ILE 20 Cb 0.32 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3isf h ILE 20 CO -0.00 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.52 3isf h ALA 21 N 0.50 0.75 -0.32 1.87 0.00 -0.78 0.59 119.26 121.88 3isf h ALA 21 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3isf h ALA 21 Cb 0.26 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3isf h ALA 21 CO 0.01 0.13 -0.29 0.82 0.00 0.00 0.00 179.25 179.92 3isf h ILE 22 N 0.75 0.29 -0.20 0.00 2.04 -0.69 -1.24 117.51 118.46 3isf h ILE 22 Ca 0.23 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.92 3isf h ILE 22 Cb -0.03 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3isf h ILE 22 CO -0.08 0.00 -0.55 0.78 0.00 0.00 0.00 178.15 178.30 3isf h ASN 23 N -0.26 0.68 -0.33 1.72 4.21 -1.24 -0.71 115.58 119.66 3isf h ASN 23 Ca 0.16 -0.36 -0.06 0.00 1.21 0.00 0.00 56.30 57.24 3isf h ASN 23 Cb 0.51 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 3isf h ASN 23 CO -0.47 1.09 -0.05 -0.61 -1.29 0.00 0.00 177.43 176.10 3isf h GLN 24 N 0.47 0.61 -0.21 0.81 4.15 -0.69 -1.74 115.11 118.51 3isf h GLN 24 Ca 0.01 -0.22 -0.16 0.00 0.77 0.00 0.00 58.65 59.05 3isf h GLN 24 Cb 1.11 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 3isf h GLN 24 CO 0.11 0.77 -0.52 1.88 -1.93 0.00 0.00 178.83 179.13 3isf h TYR 25 N 0.39 0.73 -0.36 3.99 0.05 -1.20 -0.30 116.97 120.28 3isf h TYR 25 Ca 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 3isf h TYR 25 Cb 0.52 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 3isf h TYR 25 CO 0.05 0.98 0.20 0.35 -1.05 0.00 0.00 178.16 178.69 3isf h PHE 26 N 0.46 0.49 -0.30 4.88 3.04 -1.07 0.81 116.94 125.25 3isf h PHE 26 Ca 0.02 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 3isf h PHE 26 Cb 1.06 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 3isf h PHE 26 CO 0.05 0.38 -0.07 1.25 -2.02 0.00 0.00 178.31 177.90 3isf h LEU 27 N 0.45 0.58 -0.63 0.59 5.85 -1.16 -2.04 115.31 118.95 3isf h LEU 27 Ca 0.13 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.55 3isf h LEU 27 Cb 0.05 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3isf h LEU 27 CO -0.02 0.80 0.33 0.45 -0.34 0.00 0.00 178.44 179.66 3isf h HIS 28 N 0.34 0.60 -0.24 1.25 3.86 -0.83 -0.84 115.15 119.29 3isf h HIS 28 Ca 0.08 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 3isf h HIS 28 Cb 0.55 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.78 3isf h HIS 28 CO 0.05 0.27 -0.19 1.03 0.86 0.00 0.00 177.93 179.94 3isf h SER 29 N 0.60 -0.62 1.42 2.45 0.87 -0.64 -0.33 113.55 117.30 3isf h SER 29 Ca 0.29 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 3isf h SER 29 Cb 0.22 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3isf h SER 29 CO -0.20 -0.23 -0.14 0.03 -0.53 0.00 0.00 176.83 175.75 3isf h ARG 30 N -0.19 0.00 -0.15 2.24 -0.00 -0.93 0.21 114.38 115.56 3isf h ARG 30 Ca 0.14 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.57 3isf h ARG 30 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.36 3isf h ARG 30 CO -0.35 0.14 -0.09 0.52 0.00 0.00 0.00 179.97 180.19 3isf h MET 31 N 0.00 0.32 -0.39 0.04 2.86 -0.83 0.62 114.93 117.56 3isf h MET 31 Ca -0.00 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.54 3isf h MET 31 Cb 0.89 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 3isf h MET 31 CO 0.02 0.67 0.09 -1.49 1.06 0.00 0.00 176.91 177.26 3isf h TRP 32 N -0.02 0.15 -0.36 -0.22 6.55 -0.67 -0.57 115.95 120.80 3isf h TRP 32 Ca 0.03 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 3isf h TRP 32 Cb 0.58 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.85 3isf h TRP 32 CO 0.07 0.03 0.22 -0.91 -1.05 0.00 0.00 178.44 176.81 3isf h ASN 33 N 0.22 0.43 -0.71 -3.49 -0.26 -0.95 -0.82 115.58 110.00 3isf h ASN 33 Ca 0.18 -0.05 0.14 0.00 -0.56 0.00 0.00 56.30 56.02 3isf h ASN 33 Cb 0.21 -0.11 -0.14 0.00 -1.06 0.00 0.00 38.32 37.22 3isf h ASN 33 CO -0.23 0.35 -0.21 -0.78 -1.06 0.00 0.00 177.43 175.50 3isf h ASP 34 N 0.48 -0.77 0.85 5.81 3.58 -0.55 -1.42 116.42 124.40 3isf h ASP 34 Ca 0.13 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.80 3isf h ASP 34 Cb -0.01 0.48 0.00 0.00 1.72 0.00 0.00 39.33 41.52 3isf h ASP 34 CO -0.03 -0.25 0.00 0.79 -2.88 0.00 0.00 179.24 176.87 3isf n TRP 35 N -5.48 0.00 -0.62 0.28 8.01 -0.25 -4.89 117.44 114.50 3isf n TRP 35 Ca 0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 3isf n TRP 35 Cb 0.37 -0.50 0.00 0.00 -2.01 0.00 0.00 31.31 29.17 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 1.05 0.63 2.90 6.99 0.00 -0.45 -4.97 105.19 111.34 3isf n GLY 36 Ca 0.06 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 6.69 0.24 0.99 4.77 -0.44 -4.48 117.00 124.77 3isf n LEU 37 Ca 0.00 -5.06 0.09 0.00 -0.03 0.00 0.00 56.01 51.01 3isf n LEU 37 Cb 0.00 -1.32 0.59 0.00 -2.33 0.00 0.00 43.42 40.36 3isf n LEU 37 CO 0.00 1.67 0.90 0.11 -1.33 0.00 0.00 177.39 178.74 3isf h LYS 38 N 5.33 0.00 -0.16 3.23 1.57 -0.84 -1.06 116.57 124.64 3isf h LYS 38 Ca 0.32 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.89 3isf h LYS 38 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3isf h LYS 38 CO 1.41 0.19 -0.71 -0.09 -0.57 0.00 0.00 179.45 179.68 3isf h ARG 39 N 0.00 0.68 -0.52 3.15 2.43 -1.37 -0.92 114.38 117.83 3isf h ARG 39 Ca -0.00 -0.52 -0.10 0.00 -0.81 0.00 0.00 59.98 58.54 3isf h ARG 39 Cb 0.42 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3isf h ARG 39 CO 0.02 1.14 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.47 3isf h LEU 40 N 0.48 0.95 -0.57 3.80 3.38 -1.53 -1.95 115.31 119.88 3isf h LEU 40 Ca -0.03 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3isf h LEU 40 Cb 1.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3isf h LEU 40 CO 0.14 1.06 0.21 1.23 0.09 0.00 0.00 178.44 181.17 3isf h GLY 41 N 0.96 0.92 0.98 0.83 0.00 -1.11 -0.52 103.07 105.14 3isf h GLY 41 Ca 0.14 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 3isf h GLY 41 CO 0.04 0.49 -0.12 0.00 0.00 0.00 0.00 176.54 176.95 3isf h ALA 42 N 1.06 0.53 -0.32 3.60 0.00 -1.09 -1.69 119.26 121.36 3isf h ALA 42 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3isf h ALA 42 Cb 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3isf h ALA 42 CO -0.01 0.42 0.21 1.25 0.00 0.00 0.00 179.25 181.12 3isf h HIS 43 N 0.57 0.40 -0.57 0.00 6.17 -1.17 -2.24 115.15 118.31 3isf h HIS 43 Ca 0.09 0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.11 3isf h HIS 43 Cb 0.65 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.42 3isf h HIS 43 CO 0.05 0.26 0.07 1.49 0.71 0.00 0.00 177.93 180.51 3isf h GLU 44 N 0.43 0.93 -0.56 5.26 4.57 -1.07 -1.54 114.58 122.60 3isf h GLU 44 Ca 0.12 -0.24 0.11 0.00 -1.18 0.00 0.00 59.36 58.17 3isf h GLU 44 Cb -0.05 -0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 28.33 3isf h GLU 44 CO -0.02 0.88 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.74 3isf h TYR 45 N 0.87 -0.08 -0.19 0.92 3.20 -1.15 -1.67 116.97 118.88 3isf h TYR 45 Ca 0.18 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 3isf h TYR 45 Cb 0.42 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3isf h TYR 45 CO 0.03 -0.16 -0.26 0.45 -1.64 0.00 0.00 178.16 176.58 3isf h HIS 46 N 0.10 0.40 -0.47 -3.82 3.86 -0.74 -0.54 115.15 113.94 3isf h HIS 46 Ca 0.28 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.32 3isf h HIS 46 Cb 0.44 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 3isf h HIS 46 CO -0.36 0.60 -0.07 0.93 0.86 0.00 0.00 177.93 179.88 3isf h GLU 47 N 0.32 0.82 -0.14 2.45 4.39 -0.84 -1.84 114.58 119.75 3isf h GLU 47 Ca 0.05 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3isf h GLU 47 Cb 0.63 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3isf h GLU 47 CO 0.05 0.87 0.04 1.03 -1.16 0.00 0.00 179.01 179.84 3isf h SER 48 N 0.75 0.22 -0.72 1.42 0.87 -0.34 -2.21 113.55 113.53 3isf h SER 48 Ca 0.13 -0.22 0.09 0.00 -1.23 0.00 0.00 61.79 60.55 3isf h SER 48 Cb 0.56 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 3isf h SER 48 CO 0.03 0.39 0.38 0.40 -0.53 0.00 0.00 176.83 177.50 3isf h ILE 49 N 0.04 0.88 -0.71 2.23 1.08 -1.05 -0.43 117.51 119.55 3isf h ILE 49 Ca 0.05 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3isf h ILE 49 Cb 0.25 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.14 3isf h ILE 49 CO 0.00 0.12 0.44 0.44 -0.69 0.00 0.00 178.15 178.46 3isf h ASP 50 N 0.66 0.84 -0.41 1.72 3.32 -1.13 -1.63 116.42 119.79 3isf h ASP 50 Ca 0.35 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 3isf h ASP 50 Cb 0.33 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3isf h ASP 50 CO -0.25 0.64 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.39 3isf h GLU 51 N 0.97 0.85 -0.47 3.56 4.39 -0.77 -1.79 114.58 121.33 3isf h GLU 51 Ca 0.26 -0.37 0.09 0.00 0.34 0.00 0.00 59.36 59.67 3isf h GLU 51 Cb -0.05 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.50 3isf h GLU 51 CO -0.05 1.01 0.03 0.52 -1.16 0.00 0.00 179.01 179.36 3isf h MET 52 N 0.66 0.15 -0.86 2.33 2.86 -0.52 -0.88 114.93 118.67 3isf h MET 52 Ca 0.09 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3isf h MET 52 Cb 0.75 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.34 3isf h MET 52 CO 0.06 0.10 0.48 0.87 1.06 0.00 0.00 176.91 179.48 3isf h LYS 53 N 0.15 1.20 -0.77 1.72 1.57 -1.15 -1.36 116.57 117.93 3isf h LYS 53 Ca 0.24 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3isf h LYS 53 Cb 0.34 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3isf h LYS 53 CO -0.36 0.87 0.42 0.45 -0.57 0.00 0.00 179.45 180.26 3isf h HIS 54 N 1.21 1.07 -0.11 -1.35 3.86 -0.91 -2.13 115.15 116.78 3isf h HIS 54 Ca 0.31 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3isf h HIS 54 Cb 0.02 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 3isf h HIS 54 CO 0.01 0.75 0.07 0.00 0.86 0.00 0.00 177.93 179.62 3isf h ALA 55 N 1.22 0.14 -0.40 2.45 0.00 -0.86 -0.74 119.26 121.08 3isf h ALA 55 Ca 0.27 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.24 3isf h ALA 55 Cb 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3isf h ALA 55 CO -0.04 -0.37 0.03 0.22 0.00 0.00 0.00 179.25 179.08 3isf h ASP 56 N 0.15 -0.10 -0.28 0.00 3.58 -1.17 0.28 116.42 118.88 3isf h ASP 56 Ca 0.04 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 3isf h ASP 56 Cb -0.01 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3isf h ASP 56 CO -0.01 -0.02 0.12 0.11 -2.88 0.00 0.00 179.24 176.56 3isf h LYS 57 N 0.14 0.48 -0.20 0.28 1.57 -0.87 -1.94 116.57 116.03 3isf h LYS 57 Ca 0.19 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 3isf h LYS 57 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3isf h LYS 57 CO -0.30 0.41 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.51 3isf h LEU 58 N 0.47 0.71 -0.66 2.94 3.38 -0.11 -2.27 115.31 119.77 3isf h LEU 58 Ca 0.12 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.61 3isf h LEU 58 Cb 0.13 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3isf h LEU 58 CO -0.01 1.13 0.33 0.40 0.09 0.00 0.00 178.44 180.38 3isf h ILE 59 N 0.32 0.89 -0.44 1.22 2.04 -0.71 -0.39 117.51 120.44 3isf h ILE 59 Ca 0.01 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3isf h ILE 59 Cb 1.01 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3isf h ILE 59 CO 0.09 0.11 -0.03 -0.33 0.00 0.00 0.00 178.15 177.99 3isf h GLU 60 N 0.60 0.80 -0.13 2.37 5.08 -1.20 -1.98 114.58 120.12 3isf h GLU 60 Ca 0.31 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3isf h GLU 60 Cb 0.28 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3isf h GLU 60 CO -0.23 0.88 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.53 3isf h ARG 61 N 0.64 0.25 -0.99 2.33 9.65 -1.10 -0.60 114.38 124.56 3isf h ARG 61 Ca 0.12 -0.10 0.13 0.00 -1.10 0.00 0.00 59.98 59.03 3isf h ARG 61 Cb 0.54 -0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.02 3isf h ARG 61 CO 0.03 0.56 0.62 0.82 2.80 0.00 0.00 179.97 184.81 3isf h ILE 62 N -0.07 0.89 -0.03 1.20 2.04 -1.01 0.55 117.51 121.08 3isf h ILE 62 Ca 0.03 -0.32 -0.22 0.00 1.00 0.00 0.00 64.86 65.34 3isf h ILE 62 Cb 0.48 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3isf h ILE 62 CO 0.01 0.17 -0.91 -0.07 0.00 0.00 0.00 178.15 177.36 3isf h LEU 63 N 0.94 0.62 -0.97 1.44 4.07 -1.05 0.88 115.31 121.24 3isf h LEU 63 Ca 0.50 -0.47 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 3isf h LEU 63 Cb 0.56 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 3isf h LEU 63 CO -0.27 1.26 0.19 0.15 -1.08 0.00 0.00 178.44 178.69 3isf h PHE 64 N 0.29 0.96 0.00 1.13 3.57 -0.45 -1.42 116.94 121.02 3isf h PHE 64 Ca -0.08 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.34 3isf h PHE 64 Cb 1.54 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3isf h PHE 64 CO 0.07 0.77 0.00 1.28 -2.23 0.00 0.00 178.31 178.20 3isf n LEU 65 N -4.28 0.00 0.00 0.59 4.77 0.13 -4.84 117.00 113.37 3isf n LEU 65 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3isf n LEU 65 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3isf n LEU 65 CO 0.40 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.67 3isf n GLU 66 N -0.92 0.00 -2.20 3.23 4.07 -0.53 -0.07 120.64 124.21 3isf n GLU 66 Ca 0.19 0.24 -0.26 0.00 -0.06 0.00 0.00 57.16 57.26 3isf n GLU 66 Cb 0.09 -3.36 0.11 0.00 -0.06 0.00 0.00 31.44 28.22 3isf n GLU 66 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3isf s GLY 67 N -2.47 1.73 -0.31 8.31 0.00 0.23 -4.93 107.32 109.88 3isf s GLY 67 Ca 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.47 3isf s GLY 67 CO 0.00 -0.63 0.12 1.08 0.00 0.00 0.00 173.10 173.67 3isf s LEU 68 N -5.41 4.01 0.26 0.66 1.43 -1.26 -4.34 118.68 114.03 3isf s LEU 68 Ca 0.65 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 3isf s LEU 68 Cb -0.08 -1.94 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 3isf s LEU 68 CO 0.47 -0.20 1.38 -2.84 0.23 0.00 0.00 176.35 175.39 3isf s PRO 69 N 1.55 4.31 -0.50 1.29 0.02 -1.26 -4.98 135.00 135.43 3isf s PRO 69 Ca 0.03 2.23 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 3isf s PRO 69 Cb -0.17 -3.12 0.10 0.00 0.02 0.00 0.00 34.50 31.33 3isf s PRO 69 CO 0.04 -0.33 0.45 1.21 -0.33 0.00 0.00 177.00 178.04 3isf s ASN 70 N 0.13 6.16 -0.04 2.53 3.84 -1.26 -4.87 114.94 121.44 3isf s ASN 70 Ca 0.56 -1.55 0.12 0.00 0.21 0.00 0.00 52.86 52.20 3isf s ASN 70 Cb -0.40 -2.19 0.38 0.00 -0.55 0.00 0.00 41.25 38.48 3isf s ASN 70 CO 0.45 -0.75 1.31 0.18 -2.79 0.00 0.00 177.10 175.50 3isf n LEU 71 N 5.22 3.22 0.01 3.21 4.32 -1.26 -4.60 117.00 127.13 3isf n LEU 71 Ca -0.13 -2.23 -0.04 0.00 -0.02 0.00 0.00 56.01 53.58 3isf n LEU 71 Cb 0.42 -0.32 -0.10 0.00 -1.62 0.00 0.00 43.42 41.80 3isf n LEU 71 CO 0.50 0.73 -0.34 -0.61 -1.22 0.00 0.00 177.39 176.45 3isf h GLN 72 N 2.10 0.00 -3.65 3.23 5.75 -2.03 -3.44 115.11 117.07 3isf h GLN 72 Ca 0.00 0.00 -0.79 0.00 -0.15 0.00 0.00 58.65 57.71 3isf h GLN 72 Cb 0.92 0.00 -0.27 0.00 1.07 0.00 0.00 27.48 29.19 3isf h GLN 72 CO 0.06 0.42 0.31 -0.51 -2.65 0.00 0.00 178.83 176.46 3isf s ASP 73 N -5.99 7.09 -0.26 -0.69 1.01 -1.26 -5.01 116.67 111.56 3isf s ASP 73 Ca -0.03 -3.28 -0.26 0.00 0.71 0.00 0.00 52.55 49.69 3isf s ASP 73 Cb 0.08 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3isf s ASP 73 CO 0.81 -0.39 0.88 -0.22 0.21 0.00 0.00 175.17 176.47 3isf s LEU 74 N -0.76 4.07 0.00 1.23 2.96 -1.26 -4.96 118.68 119.96 3isf s LEU 74 Ca 0.26 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 3isf s LEU 74 Cb -0.10 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3isf s LEU 74 CO -0.08 -0.60 0.00 0.61 -1.32 0.00 0.00 176.35 174.96 3isf n GLY 75 N 3.77 -1.62 3.62 7.98 0.00 -1.26 -4.97 105.19 112.72 3isf n GLY 75 Ca 0.07 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.41 4.05 0.08 1.61 2.47 -1.26 -4.91 119.74 120.36 3isf s LYS 76 Ca 0.00 0.63 -0.30 0.00 -1.56 0.00 0.00 55.97 54.74 3isf s LYS 76 Cb 0.00 -3.69 -0.05 0.00 -1.46 0.00 0.00 37.83 32.63 3isf s LYS 76 CO 0.00 -0.56 1.06 -0.51 0.16 0.00 0.00 175.35 175.51 3isf s LEU 77 N 2.76 4.42 -0.56 5.43 1.02 -1.26 -5.00 118.68 125.50 3isf s LEU 77 Ca 0.30 1.87 -0.14 0.00 0.02 0.00 0.00 54.13 56.19 3isf s LEU 77 Cb -0.15 -3.58 0.14 0.00 0.02 0.00 0.00 46.19 42.62 3isf s LEU 77 CO 0.10 -0.27 0.49 -0.76 0.02 0.00 0.00 176.35 175.93 3isf s LEU 78 N 0.52 6.11 -0.29 1.79 1.43 -1.26 -5.04 118.68 121.94 3isf s LEU 78 Ca 0.52 -1.98 -0.08 0.00 -1.03 0.00 0.00 54.13 51.56 3isf s LEU 78 Cb -0.26 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3isf s LEU 78 CO 0.30 -0.76 0.12 -0.63 0.23 0.00 0.00 176.35 175.60 3isf s ILE 79 N 1.29 4.37 0.68 -0.59 -1.09 -1.26 -4.69 121.20 119.92 3isf s ILE 79 Ca 0.06 -0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 57.97 3isf s ILE 79 Cb -0.26 -3.20 0.05 0.00 -1.58 0.00 0.00 42.46 37.47 3isf s ILE 79 CO 0.00 0.13 1.00 -0.83 -1.23 0.00 0.00 174.94 174.01 3isf s GLY 80 N 1.58 1.66 0.00 6.18 0.00 -1.26 -5.00 107.32 110.49 3isf s GLY 80 Ca 0.04 -0.83 0.12 0.00 0.00 0.00 0.00 44.72 44.05 3isf s GLY 80 CO 0.05 -0.45 0.92 -1.84 0.00 0.00 0.00 173.10 171.77 3isf n GLU 81 N -2.86 0.88 -4.09 2.90 0.28 -1.26 -4.78 120.64 111.71 3isf n GLU 81 Ca 0.07 -1.30 -0.14 0.00 -0.16 0.00 0.00 57.16 55.63 3isf n GLU 81 Cb 0.60 -1.23 -0.05 0.00 1.43 0.00 0.00 31.44 32.18 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 -1.00 0.72 0.14 -1.84 2.20 -1.26 -5.02 114.94 108.88 3isf s ASN 82 Ca 0.15 -1.40 -0.19 0.00 -0.94 0.00 0.00 52.86 50.49 3isf s ASN 82 Cb 0.10 0.62 -0.00 0.00 -2.00 0.00 0.00 41.25 39.97 3isf s ASN 82 CO 0.15 -1.23 1.74 0.74 -2.94 0.00 0.00 177.10 175.56 3isf h THR 83 N 2.18 0.89 -0.45 0.54 2.02 -1.98 0.34 112.91 116.44 3isf h THR 83 Ca -0.28 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3isf h THR 83 Cb 1.24 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 3isf h THR 83 CO 0.39 0.03 0.29 -0.61 0.37 0.00 0.00 175.52 175.99 3isf h GLN 84 N 0.15 0.60 -0.36 6.66 4.15 -2.00 -0.73 115.11 123.58 3isf h GLN 84 Ca 0.11 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 3isf h GLN 84 Cb 0.11 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3isf h GLN 84 CO -0.15 0.40 -0.20 0.93 -1.93 0.00 0.00 178.83 177.88 3isf h GLU 85 N 0.61 0.68 -0.70 1.69 5.08 -1.81 -2.18 114.58 117.95 3isf h GLU 85 Ca 0.16 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3isf h GLU 85 Cb -0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3isf h GLU 85 CO -0.03 0.84 0.27 0.52 -1.00 0.00 0.00 179.01 179.61 3isf h MET 86 N 0.61 1.06 -0.25 2.33 2.86 0.17 0.94 114.93 122.64 3isf h MET 86 Ca 0.09 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 3isf h MET 86 Cb 0.68 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 3isf h MET 86 CO 0.05 0.88 -0.29 -0.07 1.06 0.00 0.00 176.91 178.54 3isf h LEU 87 N 1.01 0.68 -1.13 1.22 3.38 -1.06 -1.92 115.31 117.49 3isf h LEU 87 Ca 0.23 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3isf h LEU 87 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3isf h LEU 87 CO -0.02 1.04 0.21 -0.61 0.09 0.00 0.00 178.44 179.14 3isf h GLN 88 N 0.35 0.82 -0.61 1.13 5.75 -1.19 -0.56 115.11 120.79 3isf h GLN 88 Ca 0.03 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 3isf h GLN 88 Cb 0.86 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 3isf h GLN 88 CO 0.07 0.68 0.30 0.00 -2.65 0.00 0.00 178.83 177.24 3isf h ASP 90 N 0.83 0.85 0.47 0.00 3.32 -0.96 -1.29 116.42 119.63 3isf h ASP 90 Ca 0.21 -0.14 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 3isf h ASP 90 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3isf h ASP 90 CO -0.03 0.80 -0.84 0.25 -1.72 0.00 0.00 179.24 177.70 3isf h LEU 91 N 0.88 0.34 -0.66 1.55 5.85 -0.27 -1.07 115.31 121.92 3isf h LEU 91 Ca 0.20 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3isf h LEU 91 Cb 0.26 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3isf h LEU 91 CO -0.01 1.03 0.14 0.78 -0.34 0.00 0.00 178.44 180.04 3isf h ASN 92 N 0.16 1.03 -0.72 1.25 2.35 -0.21 -1.91 115.58 117.54 3isf h ASN 92 Ca -0.04 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.40 3isf h ASN 92 Cb 1.45 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 3isf h ASN 92 CO 0.13 1.01 0.23 0.25 -1.65 0.00 0.00 177.43 177.40 3isf h LEU 93 N 1.01 1.05 -0.79 1.61 5.85 -1.04 -3.00 115.31 119.99 3isf h LEU 93 Ca 0.21 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3isf h LEU 93 Cb 0.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3isf h LEU 93 CO 0.01 0.97 -0.43 -0.33 -0.34 0.00 0.00 178.44 178.32 3isf h GLU 94 N 1.06 0.38 -0.76 1.25 4.39 -0.85 -2.32 114.58 117.73 3isf h GLU 94 Ca 0.23 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 3isf h GLU 94 Cb 0.30 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3isf h GLU 94 CO -0.01 0.74 0.27 -0.07 -1.16 0.00 0.00 179.01 178.78 3isf h LEU 95 N 0.31 1.07 -0.18 1.33 3.38 -1.22 -0.81 115.31 119.19 3isf h LEU 95 Ca 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3isf h LEU 95 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3isf h LEU 95 CO 0.07 0.97 0.03 0.50 0.09 0.00 0.00 178.44 180.11 3isf h LYS 96 N 1.11 0.30 -0.67 1.13 1.63 -1.46 -2.69 116.57 115.92 3isf h LYS 96 Ca 0.25 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 3isf h LYS 96 Cb 0.26 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 3isf h LYS 96 CO -0.01 0.46 0.40 0.00 -3.45 0.00 0.00 179.45 176.85 3isf h ALA 97 N 0.82 0.89 -0.02 5.00 0.00 -1.03 0.09 119.26 125.01 3isf h ALA 97 Ca 0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3isf h ALA 97 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3isf h ALA 97 CO 0.00 0.13 -0.45 0.00 0.00 0.00 0.00 179.25 178.93 3isf h THR 98 N 0.76 1.33 -0.06 0.00 1.03 -1.17 0.44 112.91 115.25 3isf h THR 98 Ca 0.28 -1.58 -0.13 0.00 -0.01 0.00 0.00 66.41 64.97 3isf h THR 98 Cb 0.09 1.82 0.01 0.00 -1.07 0.00 0.00 68.15 69.00 3isf h THR 98 CO -0.14 0.45 -0.49 0.50 -0.01 0.00 0.00 175.52 175.84 3isf h LYS 99 N 0.05 0.44 -0.60 0.00 3.64 -0.68 -2.20 116.57 117.21 3isf h LYS 99 Ca 0.00 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3isf h LYS 99 Cb 0.82 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 3isf h LYS 99 CO 0.06 1.03 0.30 -0.44 -2.27 0.00 0.00 179.45 178.13 3isf h ASP 100 N -0.02 0.76 -0.33 4.20 3.32 -1.04 -2.72 116.42 120.58 3isf h ASP 100 Ca -0.04 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3isf h ASP 100 Cb 1.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 3isf h ASP 100 CO 0.10 0.64 0.20 -0.07 -1.72 0.00 0.00 179.24 178.39 3isf h LEU 101 N 0.85 0.39 -1.37 1.55 -0.00 -0.80 -2.01 115.31 113.92 3isf h LEU 101 Ca 0.21 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 3isf h LEU 101 Cb 0.08 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 3isf h LEU 101 CO -0.03 0.32 0.28 0.03 -0.00 0.00 0.00 178.44 179.04 3isf h ARG 102 N 0.43 0.70 -0.42 1.13 3.08 -1.10 -2.36 114.38 115.85 3isf h ARG 102 Ca 0.12 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3isf h ARG 102 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3isf h ARG 102 CO -0.02 0.52 0.11 0.93 -1.07 0.00 0.00 179.97 180.44 3isf h GLU 103 N 0.71 0.67 -0.65 0.04 5.08 -1.33 -1.48 114.58 117.62 3isf h GLU 103 Ca 0.18 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3isf h GLU 103 Cb 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3isf h GLU 103 CO -0.03 0.67 0.16 0.00 -1.00 0.00 0.00 179.01 178.81 3isf h ALA 104 N 0.97 1.06 -0.24 3.43 0.00 -0.98 -2.08 119.26 121.41 3isf h ALA 104 Ca 0.13 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3isf h ALA 104 Cb 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3isf h ALA 104 CO -0.00 0.62 -0.31 0.82 0.00 0.00 0.00 179.25 180.38 3isf h ILE 105 N 0.97 1.32 -0.26 0.00 2.04 -1.32 0.11 117.51 120.36 3isf h ILE 105 Ca 0.21 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.62 3isf h ILE 105 Cb 0.34 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 3isf h ILE 105 CO -0.00 0.47 -0.16 0.58 0.00 0.00 0.00 178.15 179.04 3isf h VAL 106 N 0.34 0.53 -0.75 1.67 2.07 -1.13 -0.08 116.25 118.91 3isf h VAL 106 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3isf h VAL 106 Cb 0.89 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3isf h VAL 106 CO 0.07 0.00 0.49 -0.74 0.02 0.00 0.00 177.57 177.42 3isf h HIS 107 N -0.14 0.95 -0.61 1.57 -0.00 -1.12 -1.36 115.15 114.45 3isf h HIS 107 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 3isf h HIS 107 Cb 0.36 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 3isf h HIS 107 CO -0.34 0.60 0.25 0.00 -0.00 0.00 0.00 177.93 178.44 3isf h GLU 109 N 0.84 0.65 -0.36 0.00 4.57 -0.72 -0.70 114.58 118.86 3isf h GLU 109 Ca 0.20 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.18 3isf h GLU 109 Cb 0.19 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3isf h GLU 109 CO -0.02 0.43 -0.42 0.37 -1.18 0.00 0.00 179.01 178.19 3isf h GLN 110 N 0.67 0.91 -0.56 1.92 4.15 -0.30 -2.19 115.11 119.71 3isf h GLN 110 Ca 0.32 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 59.25 3isf h GLN 110 Cb 0.26 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3isf h GLN 110 CO -0.21 1.14 0.00 1.33 -1.93 0.00 0.00 178.83 179.16 3isf n VAL 111 N -4.05 0.96 -1.26 2.39 0.24 -0.57 -4.93 118.33 111.12 3isf n VAL 111 Ca -0.03 -0.75 -0.08 0.00 -2.04 0.00 0.00 64.34 61.45 3isf n VAL 111 Cb 0.56 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 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 0.87 -0.01 -2.50 6.34 8.25 -0.38 -4.94 115.22 122.85 3isf n HIS 112 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 3isf n HIS 112 Cb 0.54 -1.63 0.00 0.00 1.12 0.00 0.00 29.99 30.02 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 0.73 4.88 0.16 0.41 -0.08 -0.55 -4.78 116.55 117.32 3isf n ASP 113 Ca -0.08 -2.97 0.02 0.00 -1.51 0.00 0.00 54.79 50.25 3isf n ASP 113 Cb 0.27 -1.62 0.33 0.00 2.34 0.00 0.00 41.12 42.44 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 6.76 0.06 -0.33 -0.67 0.05 -1.92 -2.11 116.97 118.80 3isf h TYR 114 Ca 0.42 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 59.03 3isf h TYR 114 Cb 0.78 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.50 3isf h TYR 114 CO 1.29 0.42 -0.38 0.28 -1.05 0.00 0.00 178.16 178.72 3isf h VAL 115 N 0.05 1.28 -0.37 -2.88 2.07 -1.97 -1.80 116.25 112.63 3isf h VAL 115 Ca 0.00 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.87 3isf h VAL 115 Cb 0.67 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3isf h VAL 115 CO 0.05 0.51 -0.20 0.28 0.02 0.00 0.00 177.57 178.23 3isf h SER 116 N 0.62 0.71 -0.23 0.57 0.02 -1.92 -2.20 113.55 111.12 3isf h SER 116 Ca 0.05 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3isf h SER 116 Cb 0.97 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3isf h SER 116 CO 0.09 0.90 0.13 -0.09 -1.14 0.00 0.00 176.83 176.72 3isf h ARG 117 N 0.62 0.26 -0.96 3.45 2.43 -1.34 -1.17 114.38 117.67 3isf h ARG 117 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3isf h ARG 117 Cb 0.68 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 3isf h ARG 117 CO 0.05 0.17 0.62 0.22 -1.51 0.00 0.00 179.97 179.52 3isf h ASP 118 N 0.27 1.12 -0.46 -3.80 3.58 -0.82 -0.04 116.42 116.26 3isf h ASP 118 Ca 0.09 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3isf h ASP 118 Cb 0.00 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 3isf h ASP 118 CO -0.05 0.83 0.23 0.25 -2.88 0.00 0.00 179.24 177.62 3isf h LEU 119 N 1.31 0.60 -0.41 2.28 6.46 -1.13 -2.10 115.31 122.32 3isf h LEU 119 Ca 0.35 -0.12 -0.17 0.00 -0.12 0.00 0.00 57.88 57.82 3isf h LEU 119 Cb -0.12 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.65 3isf h LEU 119 CO -0.07 0.55 -0.57 -0.07 -0.62 0.00 0.00 178.44 177.65 3isf h LEU 120 N 0.61 0.76 -1.48 2.25 3.38 -0.65 -2.01 115.31 118.16 3isf h LEU 120 Ca 0.16 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3isf h LEU 120 Cb 0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3isf h LEU 120 CO -0.02 1.17 0.36 0.50 0.09 0.00 0.00 178.44 180.53 3isf h LYS 121 N 0.51 0.70 -0.14 1.13 3.64 -0.88 0.15 116.57 121.68 3isf h LYS 121 Ca 0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3isf h LYS 121 Cb 1.15 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3isf h LYS 121 CO 0.11 0.46 -0.23 -0.44 -2.27 0.00 0.00 179.45 177.09 3isf h ASP 122 N 0.72 0.45 -0.69 4.20 3.32 -1.05 -0.56 116.42 122.80 3isf h ASP 122 Ca 0.20 -0.53 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3isf h ASP 122 Cb -0.06 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 3isf h ASP 122 CO -0.05 0.89 0.41 0.40 -1.72 0.00 0.00 179.24 179.18 3isf h ILE 123 N 0.02 1.03 -0.81 0.35 2.04 -1.21 -2.20 117.51 116.73 3isf h ILE 123 Ca 0.01 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3isf h ILE 123 Cb 0.80 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3isf h ILE 123 CO 0.05 0.14 0.48 0.25 0.00 0.00 0.00 178.15 179.07 3isf h LEU 124 N 0.78 0.98 -0.38 1.44 5.85 -0.74 -0.02 115.31 123.21 3isf h LEU 124 Ca 0.30 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3isf h LEU 124 Cb 0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3isf h LEU 124 CO -0.15 0.76 0.25 -0.08 -0.34 0.00 0.00 178.44 178.89 3isf h GLU 125 N 1.11 0.51 -0.53 1.25 4.81 -0.65 0.04 114.58 121.11 3isf h GLU 125 Ca 0.29 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 3isf h GLU 125 Cb -0.03 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3isf h GLU 125 CO -0.05 0.34 0.28 0.77 -0.73 0.00 0.00 179.01 179.62 3isf h SER 126 N 0.52 0.42 -0.60 1.04 0.02 -0.90 -1.03 113.55 113.02 3isf h SER 126 Ca 0.14 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3isf h SER 126 Cb -0.06 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3isf h SER 126 CO -0.03 0.29 0.19 -0.33 -1.14 0.00 0.00 176.83 175.81 3isf h GLU 127 N 0.55 0.97 -0.58 3.45 4.39 -0.74 -1.63 114.58 120.99 3isf h GLU 127 Ca 0.23 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3isf h GLU 127 Cb 0.12 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3isf h GLU 127 CO -0.15 0.84 0.09 0.93 -1.16 0.00 0.00 179.01 179.56 3isf h GLU 128 N 0.93 0.96 -0.84 2.33 5.08 -0.69 -0.56 114.58 121.80 3isf h GLU 128 Ca 0.21 -0.26 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 3isf h GLU 128 Cb 0.28 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 3isf h GLU 128 CO -0.01 0.92 0.45 0.93 -1.00 0.00 0.00 179.01 180.30 3isf h GLU 129 N 0.86 0.67 -0.16 2.33 5.08 -0.93 0.57 114.58 123.00 3isf h GLU 129 Ca 0.18 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3isf h GLU 129 Cb 0.42 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3isf h GLU 129 CO 0.01 0.44 -0.45 1.25 -1.00 0.00 0.00 179.01 179.26 3isf h HIS 130 N 0.69 0.47 -0.32 4.33 2.76 -0.75 -0.66 115.15 121.66 3isf h HIS 130 Ca 0.44 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3isf h HIS 130 Cb 0.54 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 3isf h HIS 130 CO -0.08 0.77 0.20 0.82 -1.30 0.00 0.00 177.93 178.34 3isf h ILE 131 N 0.32 1.11 -0.05 6.26 2.04 -0.29 -1.12 117.51 125.78 3isf h ILE 131 Ca 0.02 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3isf h ILE 131 Cb 0.92 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3isf h ILE 131 CO 0.08 0.11 -0.11 -0.78 0.00 0.00 0.00 178.15 177.45 3isf h ASP 132 N 0.42 -0.32 -0.39 1.72 3.58 -0.21 -0.33 116.42 120.89 3isf h ASP 132 Ca 0.12 0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.70 3isf h ASP 132 Cb 0.00 0.15 -0.08 0.00 1.72 0.00 0.00 39.33 41.12 3isf h ASP 132 CO -0.02 -0.15 -0.14 0.22 -2.88 0.00 0.00 179.24 176.27 3isf h TYR 133 N -0.16 -0.32 -0.08 0.28 3.20 -0.92 -0.81 116.97 118.16 3isf h TYR 133 Ca 0.06 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3isf h TYR 133 Cb 0.24 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3isf h TYR 133 CO -0.19 -0.22 0.04 -0.07 -1.64 0.00 0.00 178.16 176.09 3isf h LEU 134 N -0.05 0.10 -1.42 2.82 4.07 -0.86 -0.56 115.31 119.41 3isf h LEU 134 Ca 0.19 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 3isf h LEU 134 Cb 0.35 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 3isf h LEU 134 CO -0.44 0.15 0.10 -0.33 -1.08 0.00 0.00 178.44 176.85 3isf h GLU 135 N 0.04 0.49 -0.41 1.13 5.08 -0.90 -1.89 114.58 118.13 3isf h GLU 135 Ca 0.03 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3isf h GLU 135 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3isf h GLU 135 CO -0.00 0.44 -0.14 1.15 -1.00 0.00 0.00 179.01 179.45 3isf h THR 136 N 0.49 1.28 -0.28 1.13 2.02 -0.87 -0.68 112.91 116.00 3isf h THR 136 Ca 0.12 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 3isf h THR 136 Cb 0.16 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3isf h THR 136 CO -0.01 0.42 -0.09 1.56 0.37 0.00 0.00 175.52 177.77 3isf h GLN 137 N 0.63 0.56 -0.48 6.66 1.08 -0.64 -0.85 115.11 122.07 3isf h GLN 137 Ca 0.10 -0.23 0.04 0.00 -1.45 0.00 0.00 58.65 57.12 3isf h GLN 137 Cb 0.68 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 3isf h GLN 137 CO 0.05 0.78 0.23 -0.07 -0.95 0.00 0.00 178.83 178.87 3isf h LEU 138 N 0.31 0.32 -0.93 1.46 -0.00 -1.31 -1.08 115.31 114.07 3isf h LEU 138 Ca 0.07 0.03 0.14 0.00 -0.00 0.00 0.00 57.88 58.12 3isf h LEU 138 Cb 0.59 -0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 41.13 3isf h LEU 138 CO 0.03 0.23 0.55 1.23 -0.00 0.00 0.00 178.44 180.48 3isf h GLY 139 N 0.46 1.54 1.19 0.83 0.00 -0.77 -2.80 103.07 103.52 3isf h GLY 139 Ca 0.21 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 3isf h GLY 139 CO -0.16 0.06 -0.47 1.41 0.00 0.00 0.00 176.54 177.38 3isf h LEU 140 N 0.81 0.95 -1.49 3.11 3.38 -0.37 -1.78 115.31 119.93 3isf h LEU 140 Ca 0.49 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3isf h LEU 140 Cb 0.60 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3isf h LEU 140 CO -0.31 1.26 0.50 0.40 0.09 0.00 0.00 178.44 180.38 3isf h ILE 141 N 0.69 0.86 -0.03 1.22 2.04 -0.96 0.73 117.51 122.07 3isf h ILE 141 Ca 0.04 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3isf h ILE 141 Cb 1.06 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3isf h ILE 141 CO 0.11 0.10 -0.14 1.56 0.00 0.00 0.00 178.15 179.78 3isf h GLN 142 N 0.54 0.14 -0.36 2.37 1.08 -1.38 -1.47 115.11 116.04 3isf h GLN 142 Ca 0.36 -0.12 -0.12 0.00 -1.45 0.00 0.00 58.65 57.32 3isf h GLN 142 Cb 0.66 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 3isf h GLN 142 CO -0.13 0.78 -0.24 0.87 -0.95 0.00 0.00 178.83 179.17 3isf h LYS 143 N -0.46 0.80 -0.00 1.46 1.57 -0.90 -3.34 116.57 115.71 3isf h LYS 143 Ca -0.01 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3isf h LYS 143 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3isf h LYS 143 CO 0.03 1.00 -0.84 1.33 -0.57 0.00 0.00 179.45 180.40 3isf n VAL 144 N -4.23 0.00 0.00 0.50 0.24 0.21 -5.09 118.33 109.95 3isf n VAL 144 Ca -0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3isf n VAL 144 Cb 0.45 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 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 1.42 0.19 0.36 7.63 0.00 -0.56 -4.36 105.19 109.88 3isf n GLY 145 Ca 0.03 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 0.95 -0.39 0.99 5.85 -1.89 -0.78 115.31 120.04 3isf h LEU 146 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3isf h LEU 146 Cb 0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3isf h LEU 146 CO 0.00 0.66 0.06 -0.33 -0.34 0.00 0.00 178.44 178.49 3isf h GLU 147 N 1.10 0.66 -0.46 1.25 5.08 -1.92 -0.80 114.58 119.49 3isf h GLU 147 Ca 0.34 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3isf h GLU 147 Cb -0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3isf h GLU 147 CO -0.10 0.71 0.11 -0.91 -1.00 0.00 0.00 179.01 177.82 3isf h ASN 148 N 0.50 0.71 -0.58 1.42 2.35 -1.72 -1.67 115.58 116.59 3isf h ASN 148 Ca 0.12 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3isf h ASN 148 Cb 0.37 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 3isf h ASN 148 CO 0.01 0.76 0.35 0.22 -1.65 0.00 0.00 177.43 177.11 3isf h TYR 149 N 0.62 0.65 -0.54 1.19 3.20 -0.81 -0.06 116.97 121.22 3isf h TYR 149 Ca 0.14 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 3isf h TYR 149 Cb 0.33 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3isf h TYR 149 CO 0.02 0.37 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.79 3isf h LEU 150 N 0.69 0.94 -0.81 2.82 3.38 -1.11 -2.91 115.31 118.30 3isf h LEU 150 Ca 0.23 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3isf h LEU 150 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3isf h LEU 150 CO -0.10 1.02 0.28 -0.61 0.09 0.00 0.00 178.44 179.11 3isf h GLN 151 N 0.87 1.16 0.00 1.13 4.15 -0.44 -0.38 115.11 121.59 3isf h GLN 151 Ca 0.15 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3isf h GLN 151 Cb 0.58 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3isf h GLN 151 CO 0.03 0.96 0.00 0.43 -1.93 0.00 0.00 178.83 178.32 3isf n SER 152 N -4.27 0.00 -0.29 -0.69 7.64 -0.12 -2.24 113.62 113.65 3isf n SER 152 Ca 0.07 0.45 0.03 0.00 1.01 0.00 0.00 58.87 60.43 3isf n SER 152 Cb 0.20 -0.47 0.08 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.47 0.22 0.10 1.43 8.25 -0.18 -4.70 115.22 118.88 3isf n HIS 153 Ca 0.03 -0.55 -0.12 0.00 -0.26 0.00 0.00 57.72 56.81 3isf n HIS 153 Cb 0.10 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 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 0.86 -0.28 -6.06 -0.41 2.07 -1.14 -1.22 114.93 108.74 3isf h MET 154 Ca 0.00 0.02 -0.60 0.00 -2.07 0.00 0.00 59.70 57.05 3isf h MET 154 Cb 0.67 0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 30.41 3isf h MET 154 CO 0.01 0.09 -0.25 -1.01 1.07 0.00 0.00 176.91 176.82 3isf s HIS 155 N -4.23 3.61 -2.00 -0.22 3.76 -1.26 -2.08 115.29 112.87 3isf s HIS 155 Ca -0.14 0.81 0.09 0.00 -0.15 0.00 0.00 55.06 55.67 3isf s HIS 155 Cb 0.02 -2.17 0.54 0.00 1.11 0.00 0.00 32.58 32.07 3isf s HIS 155 CO 0.54 0.56 0.99 0.39 -0.85 0.00 0.00 174.74 176.36