#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ise s ASP 4 N 0.00 6.88 0.49 1.61 2.15 -1.26 -4.98 116.67 121.56 3ise s ASP 4 Ca 0.00 1.05 0.19 0.00 0.43 0.00 0.00 52.55 54.22 3ise s ASP 4 Cb 0.00 -2.35 1.23 0.00 -0.30 0.00 0.00 42.92 41.50 3ise s ASP 4 CO 0.00 0.02 2.07 0.50 -0.17 0.00 0.00 175.17 177.59 3ise h LYS 5 N 6.24 0.00 0.08 4.34 3.64 -2.00 -1.84 116.57 127.03 3ise h LYS 5 Ca -0.43 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.68 3ise h LYS 5 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3ise h LYS 5 CO 0.73 0.11 -1.31 0.87 -2.27 0.00 0.00 179.45 177.58 3ise h LYS 6 N 0.00 0.17 -0.33 1.90 6.56 -1.99 -2.79 116.57 120.09 3ise h LYS 6 Ca -0.00 -0.28 0.05 0.00 -1.06 0.00 0.00 60.65 59.36 3ise h LYS 6 Cb 0.21 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 31.93 3ise h LYS 6 CO 0.01 1.06 0.02 0.28 -2.06 0.00 0.00 179.45 178.77 3ise h VAL 7 N 0.05 0.79 -0.43 0.50 2.07 -1.82 0.12 116.25 117.52 3ise h VAL 7 Ca -0.15 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3ise h VAL 7 Cb 1.93 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3ise h VAL 7 CO 0.16 0.02 0.14 0.40 0.02 0.00 0.00 177.57 178.31 3ise h ILE 8 N 0.13 1.18 -0.65 4.57 2.04 -1.40 0.25 117.51 123.62 3ise h ILE 8 Ca 0.16 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 3ise h ILE 8 Cb 0.20 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3ise h ILE 8 CO -0.24 0.22 0.08 1.56 0.00 0.00 0.00 178.15 179.77 3ise h GLN 9 N 0.62 1.09 -0.32 2.37 4.20 -1.09 -0.92 115.11 121.06 3ise h GLN 9 Ca 0.15 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3ise h GLN 9 Cb 0.18 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3ise h GLN 9 CO -0.01 1.01 0.18 0.45 -0.67 0.00 0.00 178.83 179.80 3ise h HIS 10 N 1.02 0.43 -0.53 2.96 3.86 -0.12 -1.67 115.15 121.09 3ise h HIS 10 Ca 0.20 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3ise h HIS 10 Cb 0.47 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3ise h HIS 10 CO 0.03 0.33 0.17 -0.07 0.86 0.00 0.00 177.93 179.26 3ise h LEU 11 N 0.40 0.77 -1.74 2.43 3.38 -0.67 -0.26 115.31 119.62 3ise h LEU 11 Ca 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ise h LEU 11 Cb 0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ise h LEU 11 CO -0.02 0.77 -0.14 0.78 0.09 0.00 0.00 178.44 179.91 3ise h ASN 12 N 0.73 0.00 -0.10 -0.43 2.35 -1.08 0.22 115.58 117.28 3ise h ASN 12 Ca 0.17 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3ise h ASN 12 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3ise h ASN 12 CO -0.01 0.14 -0.16 0.50 -1.65 0.00 0.00 177.43 176.25 3ise h LYS 13 N 0.00 0.29 -0.95 0.81 3.64 -0.47 -1.55 116.57 118.35 3ise h LYS 13 Ca -0.00 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 3ise h LYS 13 Cb 0.27 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3ise h LYS 13 CO 0.02 0.75 0.62 0.82 -2.27 0.00 0.00 179.45 179.40 3ise h ILE 14 N -0.14 1.22 -0.52 2.00 1.08 -0.20 -2.16 117.51 118.79 3ise h ILE 14 Ca 0.01 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 3ise h ILE 14 Cb 0.73 -0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 3ise h ILE 14 CO 0.04 0.23 0.29 0.25 -0.69 0.00 0.00 178.15 178.27 3ise h LEU 15 N 1.25 0.63 -0.52 1.44 5.85 -0.50 -0.46 115.31 123.00 3ise h LEU 15 Ca 0.36 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 3ise h LEU 15 Cb -0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3ise h LEU 15 CO -0.09 0.50 -0.48 1.23 -0.34 0.00 0.00 178.44 179.26 3ise h GLY 16 N 0.78 0.00 1.10 3.75 0.00 -0.66 -0.36 103.07 107.68 3ise h GLY 16 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.31 3ise h GLY 16 CO -0.03 0.00 -0.74 3.43 0.00 0.00 0.00 176.54 179.20 3ise h ASN 17 N 0.00 0.86 -0.47 0.19 2.35 -0.88 -2.69 115.58 114.94 3ise h ASN 17 Ca -0.00 -0.65 -0.09 0.00 -0.55 0.00 0.00 56.30 55.01 3ise h ASN 17 Cb 1.15 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 3ise h ASN 17 CO 0.06 1.37 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.86 3ise h GLU 18 N 0.41 0.90 -0.25 0.81 4.39 -0.84 -2.23 114.58 117.77 3ise h GLU 18 Ca -0.06 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.30 3ise h GLU 18 Cb 1.38 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 3ise h GLU 18 CO 0.15 0.91 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.72 3ise h LEU 19 N 0.83 0.41 -0.14 1.33 3.38 -1.05 -1.27 115.31 118.80 3ise h LEU 19 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3ise h LEU 19 Cb 0.53 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ise h LEU 19 CO 0.03 0.57 -0.07 0.40 0.09 0.00 0.00 178.44 179.46 3ise h ILE 20 N 0.39 1.31 -0.31 1.22 2.04 -1.23 -3.20 117.51 117.74 3ise h ILE 20 Ca 0.08 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3ise h ILE 20 Cb 0.46 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3ise h ILE 20 CO 0.03 0.32 0.16 0.00 0.00 0.00 0.00 178.15 178.66 3ise h ALA 21 N 0.66 0.40 -0.43 1.87 0.00 -1.13 -1.00 119.26 119.62 3ise h ALA 21 Ca 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3ise h ALA 21 Cb 0.53 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3ise h ALA 21 CO 0.02 -0.07 -0.47 0.82 0.00 0.00 0.00 179.25 179.56 3ise h ILE 22 N 0.37 0.00 -0.40 0.00 2.04 -1.30 0.26 117.51 118.49 3ise h ILE 22 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3ise h ILE 22 Cb 0.08 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 3ise h ILE 22 CO -0.02 0.00 0.15 0.78 0.00 0.00 0.00 178.15 179.07 3ise h ASN 23 N -0.26 0.51 -0.13 1.72 4.21 -1.51 0.60 115.58 120.72 3ise h ASN 23 Ca 0.07 -0.05 -0.13 0.00 1.21 0.00 0.00 56.30 57.40 3ise h ASN 23 Cb 0.46 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 3ise h ASN 23 CO -0.55 0.47 -0.42 -0.61 -1.29 0.00 0.00 177.43 175.04 3ise h GLN 24 N 0.57 0.51 -0.19 0.81 4.15 -0.42 -2.02 115.11 118.52 3ise h GLN 24 Ca 0.14 -0.38 -0.16 0.00 0.77 0.00 0.00 58.65 59.02 3ise h GLN 24 Cb 0.13 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3ise h GLN 24 CO -0.01 1.00 -0.53 1.88 -1.93 0.00 0.00 178.83 179.23 3ise h TYR 25 N 0.12 0.70 -0.50 3.99 0.05 -0.27 -0.48 116.97 120.59 3ise h TYR 25 Ca -0.02 -0.24 -0.04 0.00 0.05 0.00 0.00 58.73 58.48 3ise h TYR 25 Cb 1.04 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 3ise h TYR 25 CO 0.11 0.97 0.14 0.35 -1.05 0.00 0.00 178.16 178.68 3ise h PHE 26 N 0.43 0.81 -0.40 4.88 3.04 -0.87 0.19 116.94 125.02 3ise h PHE 26 Ca 0.01 -0.09 -0.10 0.00 3.98 0.00 0.00 57.97 61.77 3ise h PHE 26 Cb 1.07 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 3ise h PHE 26 CO 0.04 0.71 -0.16 1.25 -2.02 0.00 0.00 178.31 178.14 3ise h LEU 27 N 0.67 0.83 -0.78 0.59 5.85 -1.30 -1.87 115.31 119.30 3ise h LEU 27 Ca 0.16 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3ise h LEU 27 Cb 0.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3ise h LEU 27 CO -0.00 1.03 0.50 0.45 -0.34 0.00 0.00 178.44 180.08 3ise h HIS 28 N 0.62 0.94 -0.08 1.25 3.86 -0.76 -1.35 115.15 119.63 3ise h HIS 28 Ca 0.09 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3ise h HIS 28 Cb 0.70 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 3ise h HIS 28 CO 0.05 0.56 -0.15 1.03 0.86 0.00 0.00 177.93 180.29 3ise h SER 29 N 1.00 -0.45 0.49 2.45 0.87 -0.41 -0.92 113.55 116.58 3ise h SER 29 Ca 0.30 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.87 3ise h SER 29 Cb -0.04 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3ise h SER 29 CO -0.09 -0.20 -0.32 0.03 -0.53 0.00 0.00 176.83 175.72 3ise h ARG 30 N -0.21 0.00 -0.04 2.24 -0.00 -1.06 -0.60 114.38 114.71 3ise h ARG 30 Ca 0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.55 3ise h ARG 30 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.28 3ise h ARG 30 CO -0.20 0.32 -0.02 0.52 0.00 0.00 0.00 179.97 180.59 3ise h MET 31 N 0.00 0.08 -0.76 0.04 2.86 -0.84 -1.19 114.93 115.11 3ise h MET 31 Ca -0.00 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3ise h MET 31 Cb 0.65 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3ise h MET 31 CO 0.04 0.48 0.50 -1.49 1.06 0.00 0.00 176.91 177.50 3ise h TRP 32 N -0.32 0.94 -0.34 -0.22 6.55 -0.75 -1.17 115.95 120.63 3ise h TRP 32 Ca 0.01 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.80 3ise h TRP 32 Cb 0.45 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 3ise h TRP 32 CO 0.07 0.58 -0.06 -0.91 -1.05 0.00 0.00 178.44 177.06 3ise h ASN 33 N 1.00 0.65 -0.95 -3.49 -0.26 -0.99 -0.36 115.58 111.19 3ise h ASN 33 Ca 0.29 -0.35 0.14 0.00 -0.56 0.00 0.00 56.30 55.82 3ise h ASN 33 Cb -0.06 -0.18 -0.08 0.00 -1.06 0.00 0.00 38.32 36.94 3ise h ASN 33 CO -0.07 0.85 0.60 -0.78 -1.06 0.00 0.00 177.43 176.97 3ise h ASP 34 N 0.44 0.76 0.60 5.81 3.58 -0.75 -0.34 116.42 126.52 3ise h ASP 34 Ca 0.09 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3ise h ASP 34 Cb 0.55 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3ise h ASP 34 CO 0.03 0.38 -0.02 0.79 -2.88 0.00 0.00 179.24 177.54 3ise n TRP 35 N -4.60 0.00 -1.32 0.28 8.01 -0.49 -4.90 117.44 114.42 3ise n TRP 35 Ca 0.19 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.35 3ise n TRP 35 Cb 0.44 -0.30 -0.01 0.00 -2.01 0.00 0.00 31.31 29.43 3ise n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ise n GLY 36 N 1.31 0.52 3.06 6.99 0.00 -0.14 -4.95 105.19 111.98 3ise n GLY 36 Ca 0.13 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 3ise n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ise n LEU 37 N -0.35 6.27 0.21 0.99 4.77 -0.24 -4.51 117.00 124.15 3ise n LEU 37 Ca -0.03 -5.05 0.13 0.00 -0.03 0.00 0.00 56.01 51.04 3ise n LEU 37 Cb 0.20 -1.36 0.36 0.00 -2.33 0.00 0.00 43.42 40.28 3ise n LEU 37 CO 0.04 1.53 0.87 0.11 -1.33 0.00 0.00 177.39 178.62 3ise h LYS 38 N 5.77 0.00 0.04 3.23 1.57 -0.85 -2.13 116.57 124.20 3ise h LYS 38 Ca 0.24 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 3ise h LYS 38 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3ise h LYS 38 CO 1.33 0.00 -1.02 -0.09 -0.57 0.00 0.00 179.45 179.10 3ise h ARG 39 N 0.00 0.12 0.02 3.15 2.43 -1.52 -2.72 114.38 115.85 3ise h ARG 39 Ca 0.00 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3ise h ARG 39 Cb 0.79 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3ise h ARG 39 CO 0.00 1.03 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.41 3ise h LEU 40 N 0.04 -0.02 -0.93 3.80 3.38 -1.59 -2.57 115.31 117.43 3ise h LEU 40 Ca -0.05 -0.59 0.17 0.00 0.09 0.00 0.00 57.88 57.50 3ise h LEU 40 Cb 1.73 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.32 3ise h LEU 40 CO 0.15 0.59 -0.30 1.23 0.09 0.00 0.00 178.44 180.20 3ise h GLY 41 N -0.63 0.40 0.84 0.83 0.00 -1.45 -0.23 103.07 102.83 3ise h GLY 41 Ca -0.00 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 3ise h GLY 41 CO 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 176.54 176.28 3ise h ALA 42 N 1.66 0.08 -0.90 3.60 0.00 -1.53 0.15 119.26 122.33 3ise h ALA 42 Ca 0.40 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3ise h ALA 42 Cb 0.64 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3ise h ALA 42 CO -0.95 -0.32 0.59 1.25 0.00 0.00 0.00 179.25 179.82 3ise h HIS 43 N -0.07 1.10 0.11 0.00 6.17 -0.95 -2.30 115.15 119.21 3ise h HIS 43 Ca 0.02 0.03 -0.27 0.00 0.71 0.00 0.00 60.37 60.86 3ise h HIS 43 Cb 0.19 -0.37 0.01 0.00 2.52 0.00 0.00 27.41 29.76 3ise h HIS 43 CO -0.01 0.64 -1.19 1.49 0.71 0.00 0.00 177.93 179.57 3ise h GLU 44 N 1.14 0.35 -0.92 5.26 4.57 -0.71 -2.13 114.58 122.14 3ise h GLU 44 Ca 0.35 -0.52 0.13 0.00 -1.18 0.00 0.00 59.36 58.14 3ise h GLU 44 Cb -0.00 0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.70 3ise h GLU 44 CO -0.10 1.22 0.59 -0.92 -1.18 0.00 0.00 179.01 178.62 3ise h TYR 45 N 0.13 0.94 -0.04 0.92 3.20 -0.47 -1.23 116.97 120.42 3ise h TYR 45 Ca -0.13 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.60 3ise h TYR 45 Cb 1.89 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.85 3ise h TYR 45 CO 0.07 0.37 -0.68 0.45 -1.64 0.00 0.00 178.16 176.73 3ise h HIS 46 N 0.81 0.27 -0.33 -3.82 3.86 -1.03 -1.73 115.15 113.19 3ise h HIS 46 Ca 0.46 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 3ise h HIS 46 Cb 0.60 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 3ise h HIS 46 CO -0.00 0.81 0.21 0.93 0.86 0.00 0.00 177.93 180.74 3ise h GLU 47 N 0.14 0.44 0.33 2.45 4.39 -0.88 -1.33 114.58 120.12 3ise h GLU 47 Ca -0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3ise h GLU 47 Cb 1.21 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 3ise h GLU 47 CO 0.10 0.32 -0.49 1.03 -1.16 0.00 0.00 179.01 178.81 3ise h SER 48 N 0.43 -1.41 -0.94 1.42 0.87 -0.92 -1.63 113.55 111.37 3ise h SER 48 Ca 0.12 0.13 0.27 0.00 -1.23 0.00 0.00 61.79 61.08 3ise h SER 48 Cb -0.02 0.49 -0.15 0.00 -0.44 0.00 0.00 62.40 62.29 3ise h SER 48 CO -0.02 -0.59 0.39 0.40 -0.53 0.00 0.00 176.83 176.47 3ise h ILE 49 N -0.86 0.31 -0.43 2.23 1.08 -1.29 -0.66 117.51 117.88 3ise h ILE 49 Ca -0.04 -0.09 -0.08 0.00 -0.39 0.00 0.00 64.86 64.26 3ise h ILE 49 Cb 0.79 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 3ise h ILE 49 CO -0.15 0.05 -0.04 0.44 -0.69 0.00 0.00 178.15 177.75 3ise h ASP 50 N 0.27 0.71 0.73 1.72 5.19 -0.33 -2.35 116.42 122.35 3ise h ASP 50 Ca 0.64 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.75 3ise h ASP 50 Cb 1.37 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 3ise h ASP 50 CO -0.63 0.80 -0.56 -0.33 -3.12 0.00 0.00 179.24 175.40 3ise h GLU 51 N 0.68 0.00 0.00 3.56 4.39 -0.45 -2.32 114.58 120.43 3ise h GLU 51 Ca 0.13 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 3ise h GLU 51 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3ise h GLU 51 CO 0.02 0.56 -0.33 0.52 -1.16 0.00 0.00 179.01 178.63 3ise h MET 52 N 0.00 0.00 0.00 2.33 2.86 -0.75 -1.27 114.93 118.10 3ise h MET 52 Ca -0.01 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 3ise h MET 52 Cb 1.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 3ise h MET 52 CO 0.07 0.33 -0.93 0.87 1.06 0.00 0.00 176.91 178.32 3ise h LYS 53 N 0.00 0.00 -0.48 1.72 1.57 -1.16 -2.42 116.57 115.80 3ise h LYS 53 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3ise h LYS 53 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3ise h LYS 53 CO 0.04 0.71 -0.13 0.45 -0.57 0.00 0.00 179.45 179.96 3ise h HIS 54 N 0.00 1.00 -0.53 -1.35 3.86 -1.09 -2.02 115.15 115.02 3ise h HIS 54 Ca -0.05 -0.20 -0.06 0.00 -1.16 0.00 0.00 60.37 58.90 3ise h HIS 54 Cb 1.64 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.84 3ise h HIS 54 CO 0.00 0.96 0.10 0.00 0.86 0.00 0.00 177.93 179.85 3ise h ALA 55 N 1.05 0.70 -0.55 2.45 0.00 -1.22 -1.42 119.26 120.27 3ise h ALA 55 Ca 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ise h ALA 55 Cb 0.66 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ise h ALA 55 CO 0.05 0.42 0.23 0.22 0.00 0.00 0.00 179.25 180.17 3ise h ASP 56 N 0.75 0.75 -0.54 0.00 3.58 -1.19 -0.57 116.42 119.20 3ise h ASP 56 Ca 0.16 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3ise h ASP 56 Cb 0.39 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3ise h ASP 56 CO 0.01 0.70 0.29 0.11 -2.88 0.00 0.00 179.24 177.47 3ise h LYS 57 N 0.74 0.76 0.23 0.28 1.79 -1.01 -1.92 116.57 117.43 3ise h LYS 57 Ca 0.18 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3ise h LYS 57 Cb 0.18 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3ise h LYS 57 CO -0.02 0.59 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.75 3ise h LEU 58 N 0.72 -0.31 -0.75 2.94 3.38 -0.87 -1.69 115.31 118.74 3ise h LEU 58 Ca 0.19 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.31 3ise h LEU 58 Cb 0.06 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3ise h LEU 58 CO -0.03 -0.21 0.31 0.40 0.09 0.00 0.00 178.44 179.00 3ise h ILE 59 N -0.34 0.69 -0.70 1.22 2.04 -0.95 0.15 117.51 119.63 3ise h ILE 59 Ca -0.03 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 3ise h ILE 59 Cb 0.27 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3ise h ILE 59 CO 0.03 0.09 0.19 -0.33 0.00 0.00 0.00 178.15 178.13 3ise h GLU 60 N 0.47 1.10 -0.30 2.37 5.08 -1.11 -1.47 114.58 120.72 3ise h GLU 60 Ca 0.40 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3ise h GLU 60 Cb 0.59 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3ise h GLU 60 CO -0.38 0.96 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.37 3ise h ARG 61 N 1.05 0.62 0.10 2.33 9.65 -0.20 -1.37 114.38 126.56 3ise h ARG 61 Ca 0.23 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3ise h ARG 61 Cb 0.33 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3ise h ARG 61 CO -0.00 0.84 -0.05 0.82 2.80 0.00 0.00 179.97 184.38 3ise h ILE 62 N 0.37 0.96 -0.41 1.20 2.04 -0.56 -1.03 117.51 120.08 3ise h ILE 62 Ca 0.07 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 65.85 3ise h ILE 62 Cb 0.64 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3ise h ILE 62 CO 0.04 0.05 0.33 -0.07 0.00 0.00 0.00 178.15 178.50 3ise h LEU 63 N -0.22 0.00 0.03 1.44 -0.00 -1.07 -2.06 115.31 113.43 3ise h LEU 63 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.61 3ise h LEU 63 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 3ise h LEU 63 CO 0.02 0.00 -1.31 0.15 -0.00 0.00 0.00 178.44 177.30 3ise h PHE 64 N 0.00 0.13 -0.00 1.13 3.57 -0.08 -2.84 116.94 118.85 3ise h PHE 64 Ca 0.20 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3ise h PHE 64 Cb 0.85 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.59 3ise h PHE 64 CO 0.00 1.10 0.00 1.28 -2.23 0.00 0.00 178.31 178.46 3ise n LEU 65 N -3.31 0.60 -2.32 0.59 4.77 -0.51 -4.90 117.00 111.92 3ise n LEU 65 Ca -0.08 -0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 3ise n LEU 65 Cb 1.00 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 3ise n LEU 65 CO 0.48 0.15 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.80 3ise n GLU 66 N -0.21 -1.67 -1.40 3.23 1.02 -1.04 -3.78 120.64 116.80 3ise n GLU 66 Ca 0.00 1.03 -0.02 0.00 -0.02 0.00 0.00 57.16 58.15 3ise n GLU 66 Cb 0.15 -5.67 0.00 0.00 -0.02 0.00 0.00 31.44 25.90 3ise n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ise n GLY 67 N -0.95 2.33 3.06 0.62 0.00 -0.83 -5.01 105.19 104.41 3ise n GLY 67 Ca -0.24 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.30 3ise n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ise s LEU 68 N 0.00 3.20 0.15 0.99 1.43 -1.26 -4.34 118.68 118.84 3ise s LEU 68 Ca 0.05 -1.28 -0.32 0.00 -1.03 0.00 0.00 54.13 51.55 3ise s LEU 68 Cb -0.00 -1.50 -0.12 0.00 0.03 0.00 0.00 46.19 44.59 3ise s LEU 68 CO 0.03 -0.17 1.75 -2.65 0.23 0.00 0.00 176.35 175.54 3ise n PRO 69 N 4.48 2.62 -3.45 1.29 -0.02 -1.26 -4.95 135.00 133.70 3ise n PRO 69 Ca -0.15 0.95 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 3ise n PRO 69 Cb 0.43 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.07 3ise n PRO 69 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3ise s ASN 70 N 1.90 6.30 0.00 2.55 2.47 -1.26 -4.81 114.94 122.09 3ise s ASN 70 Ca 0.80 -2.76 0.19 0.00 0.42 0.00 0.00 52.86 51.51 3ise s ASN 70 Cb -0.54 -2.10 0.64 0.00 -1.45 0.00 0.00 41.25 37.79 3ise s ASN 70 CO 0.37 -0.51 1.48 0.18 -3.72 0.00 0.00 177.10 174.90 3ise n LEU 71 N 3.80 1.87 0.03 3.21 4.32 -1.26 -4.38 117.00 124.58 3ise n LEU 71 Ca 0.12 -0.82 -0.12 0.00 -0.02 0.00 0.00 56.01 55.17 3ise n LEU 71 Cb 0.44 -0.15 -0.14 0.00 -1.62 0.00 0.00 43.42 41.96 3ise n LEU 71 CO 0.33 0.41 -0.34 -0.61 -1.22 0.00 0.00 177.39 175.96 3ise h GLN 72 N 2.38 0.11 -5.24 3.23 5.75 -2.02 -3.44 115.11 115.88 3ise h GLN 72 Ca 0.00 -0.19 -0.67 0.00 -0.15 0.00 0.00 58.65 57.64 3ise h GLN 72 Cb 0.53 0.07 -0.16 0.00 1.07 0.00 0.00 27.48 28.98 3ise h GLN 72 CO 0.00 0.88 0.05 -0.51 -2.65 0.00 0.00 178.83 176.60 3ise s ASP 73 N -6.61 6.28 -0.47 -0.69 1.01 -1.26 -5.01 116.67 109.92 3ise s ASP 73 Ca -0.06 -0.50 -0.13 0.00 0.71 0.00 0.00 52.55 52.56 3ise s ASP 73 Cb 0.08 -2.30 0.09 0.00 1.01 0.00 0.00 42.92 41.80 3ise s ASP 73 CO 0.83 -0.76 0.38 -0.22 0.21 0.00 0.00 175.17 175.60 3ise s LEU 74 N 2.67 5.64 0.00 1.23 2.96 -1.26 -4.89 118.68 125.02 3ise s LEU 74 Ca 0.19 -1.53 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 3ise s LEU 74 Cb -0.15 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.41 3ise s LEU 74 CO 0.17 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 3ise n GLY 75 N 5.11 -1.84 3.70 7.98 0.00 -1.26 -4.91 105.19 113.96 3ise n GLY 75 Ca -0.12 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 3ise n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ise s LYS 76 N -1.22 4.35 0.09 1.61 2.47 -1.26 -4.98 119.74 120.80 3ise s LYS 76 Ca 0.00 0.77 -0.30 0.00 -1.56 0.00 0.00 55.97 54.88 3ise s LYS 76 Cb 0.00 -3.49 -0.05 0.00 -1.46 0.00 0.00 37.83 32.82 3ise s LYS 76 CO 0.00 -0.05 1.01 -0.51 0.16 0.00 0.00 175.35 175.96 3ise s LEU 77 N 1.22 4.45 -0.77 5.43 1.02 -1.26 -5.02 118.68 123.75 3ise s LEU 77 Ca 0.34 1.83 -0.12 0.00 0.02 0.00 0.00 54.13 56.19 3ise s LEU 77 Cb -0.17 -3.58 0.20 0.00 0.02 0.00 0.00 46.19 42.66 3ise s LEU 77 CO 0.14 -0.18 0.69 -0.76 0.02 0.00 0.00 176.35 176.26 3ise s LEU 78 N 0.33 6.47 -0.41 1.79 1.43 -1.26 -5.03 118.68 121.99 3ise s LEU 78 Ca 0.50 -2.65 -0.17 0.00 -1.03 0.00 0.00 54.13 50.78 3ise s LEU 78 Cb -0.24 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.85 3ise s LEU 78 CO 0.30 -0.56 0.42 -0.63 0.23 0.00 0.00 176.35 176.11 3ise s ILE 79 N 0.23 5.11 0.86 -0.59 -1.09 -1.26 -4.70 121.20 119.77 3ise s ILE 79 Ca 0.17 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 58.11 3ise s ILE 79 Cb -0.13 -4.01 0.13 0.00 -1.58 0.00 0.00 42.46 36.86 3ise s ILE 79 CO -0.07 -0.38 1.23 -0.83 -1.23 0.00 0.00 174.94 173.65 3ise s GLY 80 N 1.79 1.67 0.00 6.18 0.00 -1.26 -4.99 107.32 110.70 3ise s GLY 80 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3ise s GLY 80 CO 0.13 -0.28 0.44 -1.84 0.00 0.00 0.00 173.10 171.55 3ise n GLU 81 N -3.47 -0.07 -4.36 2.90 0.28 -1.26 -4.74 120.64 109.92 3ise n GLU 81 Ca 0.11 -0.44 -0.24 0.00 -0.16 0.00 0.00 57.16 56.43 3ise n GLU 81 Cb 0.60 -0.94 -0.07 0.00 1.43 0.00 0.00 31.44 32.46 3ise n GLU 81 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3ise n ASN 82 N -0.12 0.78 -0.25 -1.84 0.23 -1.26 -5.05 115.26 107.76 3ise n ASN 82 Ca 0.00 -3.17 -0.07 0.00 -0.53 0.00 0.00 54.58 50.81 3ise n ASN 82 Cb 0.00 1.18 0.05 0.00 -2.08 0.00 0.00 39.78 38.93 3ise n ASN 82 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3ise h THR 83 N 1.77 1.24 -0.48 5.53 2.02 -1.99 -1.44 112.91 119.56 3ise h THR 83 Ca -0.30 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.03 3ise h THR 83 Cb 1.21 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3ise h THR 83 CO 0.47 0.30 -0.11 -0.61 0.37 0.00 0.00 175.52 175.94 3ise h GLN 84 N 0.99 0.89 -0.09 6.66 4.15 -2.00 -1.83 115.11 123.89 3ise h GLN 84 Ca 0.23 -0.31 -0.20 0.00 0.77 0.00 0.00 58.65 59.14 3ise h GLN 84 Cb 0.20 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3ise h GLN 84 CO -0.02 0.96 -0.78 0.93 -1.93 0.00 0.00 178.83 177.99 3ise h GLU 85 N 0.80 0.51 -0.81 1.69 5.08 -1.94 -2.67 114.58 117.24 3ise h GLU 85 Ca 0.13 -0.44 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3ise h GLU 85 Cb 0.63 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 3ise h GLU 85 CO 0.04 1.07 0.53 0.52 -1.00 0.00 0.00 179.01 180.17 3ise h MET 86 N 0.34 1.02 -0.39 2.33 2.86 -1.01 0.93 114.93 121.02 3ise h MET 86 Ca -0.04 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 3ise h MET 86 Cb 1.38 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3ise h MET 86 CO 0.14 0.68 -0.30 -0.07 1.06 0.00 0.00 176.91 178.42 3ise h LEU 87 N 1.05 0.93 -0.70 1.22 3.38 -1.37 -1.12 115.31 118.71 3ise h LEU 87 Ca 0.31 -0.44 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3ise h LEU 87 Cb -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3ise h LEU 87 CO -0.09 1.18 -0.64 -0.61 0.09 0.00 0.00 178.44 178.36 3ise h GLN 88 N 0.70 0.04 -0.50 1.13 5.75 -1.07 -1.38 115.11 119.78 3ise h GLN 88 Ca 0.07 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.41 3ise h GLN 88 Cb 0.88 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 3ise h GLN 88 CO 0.08 0.67 -0.18 0.00 -2.65 0.00 0.00 178.83 176.75 3ise h ASP 90 N 0.87 0.47 -0.31 0.00 3.32 -0.81 -2.75 116.42 117.22 3ise h ASP 90 Ca 0.12 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.83 3ise h ASP 90 Cb 0.75 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3ise h ASP 90 CO 0.06 0.75 -0.48 0.25 -1.72 0.00 0.00 179.24 178.09 3ise h LEU 91 N 0.41 0.97 -1.18 1.55 5.85 -1.15 -2.47 115.31 119.29 3ise h LEU 91 Ca 0.06 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3ise h LEU 91 Cb 0.71 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3ise h LEU 91 CO 0.05 1.29 0.57 0.78 -0.34 0.00 0.00 178.44 180.79 3ise h ASN 92 N 0.70 0.87 -0.14 1.25 2.35 -1.24 -1.06 115.58 118.31 3ise h ASN 92 Ca 0.03 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.61 3ise h ASN 92 Cb 1.08 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 3ise h ASN 92 CO 0.11 0.55 -0.56 0.25 -1.65 0.00 0.00 177.43 176.13 3ise h LEU 93 N 0.98 0.81 -0.18 1.61 5.85 -1.19 -1.89 115.31 121.30 3ise h LEU 93 Ca 0.38 -0.44 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 3ise h LEU 93 Cb 0.22 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3ise h LEU 93 CO -0.14 1.20 -0.62 -0.33 -0.34 0.00 0.00 178.44 178.21 3ise h GLU 94 N 0.56 0.00 -0.22 1.25 4.39 -1.07 -1.00 114.58 118.48 3ise h GLU 94 Ca 0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 3ise h GLU 94 Cb 1.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3ise h GLU 94 CO 0.12 0.62 -0.47 -0.07 -1.16 0.00 0.00 179.01 178.04 3ise h LEU 95 N 0.00 0.64 -0.35 1.33 3.38 -0.93 0.51 115.31 119.88 3ise h LEU 95 Ca -0.01 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 3ise h LEU 95 Cb 1.40 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ise h LEU 95 CO 0.08 1.01 -0.57 0.50 0.09 0.00 0.00 178.44 179.55 3ise h LYS 96 N 0.47 0.77 0.00 1.13 1.63 -1.11 -2.58 116.57 116.89 3ise h LYS 96 Ca 0.03 -0.50 -0.09 0.00 -0.85 0.00 0.00 60.65 59.23 3ise h LYS 96 Cb 1.00 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 3ise h LYS 96 CO 0.09 1.13 -0.44 0.00 -3.45 0.00 0.00 179.45 176.78 3ise h ALA 97 N 0.76 1.02 -0.23 5.00 0.00 -0.96 -2.17 119.26 122.69 3ise h ALA 97 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3ise h ALA 97 Cb 1.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ise h ALA 97 CO 0.12 0.55 -0.17 1.15 0.00 0.00 0.00 179.25 180.90 3ise h THR 98 N 0.00 1.31 -0.16 0.00 2.02 -0.83 -2.03 112.91 113.23 3ise h THR 98 Ca -0.00 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 3ise h THR 98 Cb 0.93 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3ise h THR 98 CO 0.06 0.40 0.06 0.50 0.37 0.00 0.00 175.52 176.92 3ise h LYS 99 N 0.23 0.25 -0.59 6.66 3.64 -1.14 -2.37 116.57 123.26 3ise h LYS 99 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ise h LYS 99 Cb 0.71 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3ise h LYS 99 CO 0.05 0.33 0.38 -0.44 -2.27 0.00 0.00 179.45 177.50 3ise h ASP 100 N 0.11 0.68 -0.62 4.20 3.32 -1.40 -2.55 116.42 120.15 3ise h ASP 100 Ca 0.05 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3ise h ASP 100 Cb 0.18 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3ise h ASP 100 CO -0.00 0.49 0.14 0.25 -1.72 0.00 0.00 179.24 178.40 3ise h LEU 101 N 0.80 0.95 -0.65 1.55 5.85 -1.10 -1.55 115.31 121.15 3ise h LEU 101 Ca 0.21 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3ise h LEU 101 Cb -0.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 3ise h LEU 101 CO -0.05 0.94 -0.34 0.03 -0.34 0.00 0.00 178.44 178.69 3ise h ARG 102 N 0.92 0.67 -0.48 1.25 3.08 -1.03 -1.74 114.38 117.05 3ise h ARG 102 Ca 0.19 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3ise h ARG 102 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3ise h ARG 102 CO 0.00 0.92 0.02 0.93 -1.07 0.00 0.00 179.97 180.77 3ise h GLU 103 N 0.56 0.83 -0.33 0.04 5.08 -1.30 -2.37 114.58 117.10 3ise h GLU 103 Ca 0.06 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3ise h GLU 103 Cb 0.85 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3ise h GLU 103 CO 0.07 0.86 0.20 0.00 -1.00 0.00 0.00 179.01 179.15 3ise h ALA 104 N 0.93 1.73 -0.00 3.43 0.00 -1.20 -2.21 119.26 121.95 3ise h ALA 104 Ca 0.14 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 3ise h ALA 104 Cb 0.48 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ise h ALA 104 CO 0.02 0.24 -1.04 0.82 0.00 0.00 0.00 179.25 179.29 3ise h ILE 105 N 0.45 1.29 -0.95 0.00 2.04 -0.98 -2.66 117.51 116.70 3ise h ILE 105 Ca 0.12 -2.26 0.06 0.00 1.00 0.00 0.00 64.86 63.78 3ise h ILE 105 Cb -0.02 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 3ise h ILE 105 CO -0.02 0.70 0.62 0.58 0.00 0.00 0.00 178.15 180.02 3ise h VAL 106 N 0.39 1.10 -0.18 1.67 2.07 -1.27 -2.41 116.25 117.62 3ise h VAL 106 Ca -0.13 -0.39 -0.20 0.00 0.82 0.00 0.00 66.70 66.80 3ise h VAL 106 Cb 1.69 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3ise h VAL 106 CO 0.20 0.20 -0.70 -0.74 0.02 0.00 0.00 177.57 176.56 3ise h HIS 107 N 1.12 0.99 0.00 1.57 -0.00 -1.27 -2.57 115.15 114.99 3ise h HIS 107 Ca 0.40 -0.41 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 3ise h HIS 107 Cb 0.13 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3ise h HIS 107 CO -0.00 1.22 -0.11 0.00 -0.00 0.00 0.00 177.93 179.04 3ise h GLU 109 N 0.00 0.33 -0.66 0.00 4.57 -1.24 0.99 114.58 118.57 3ise h GLU 109 Ca -0.00 -0.37 0.03 0.00 -1.18 0.00 0.00 59.36 57.84 3ise h GLU 109 Cb 0.21 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 3ise h GLU 109 CO 0.01 1.07 0.40 0.37 -1.18 0.00 0.00 179.01 179.68 3ise h GLN 110 N -0.25 0.75 -0.66 1.92 4.15 -1.11 -1.70 115.11 118.21 3ise h GLN 110 Ca -0.07 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3ise h GLN 110 Cb 1.26 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3ise h GLN 110 CO 0.10 0.50 0.00 1.33 -1.93 0.00 0.00 178.83 178.83 3ise n VAL 111 N -4.72 1.36 -1.85 2.39 0.24 -0.87 -4.94 118.33 109.94 3ise n VAL 111 Ca 0.07 -0.77 -0.15 0.00 -2.04 0.00 0.00 64.34 61.44 3ise n VAL 111 Cb 0.10 -0.18 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 3ise n VAL 111 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3ise n HIS 112 N 0.50 -0.68 -2.14 6.34 8.25 -0.64 -4.91 115.22 121.93 3ise n HIS 112 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 3ise n HIS 112 Cb 0.69 -2.98 0.00 0.00 1.12 0.00 0.00 29.99 28.82 3ise n HIS 112 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ise n ASP 113 N -1.22 4.48 0.19 0.41 -0.08 0.31 -4.78 116.55 115.85 3ise n ASP 113 Ca -0.17 -2.93 0.04 0.00 -1.51 0.00 0.00 54.79 50.22 3ise n ASP 113 Cb 0.56 -1.63 0.42 0.00 2.34 0.00 0.00 41.12 42.82 3ise n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3ise h TYR 114 N 6.34 0.05 -0.27 -0.67 0.05 -1.91 -2.05 116.97 118.50 3ise h TYR 114 Ca 0.48 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 59.17 3ise h TYR 114 Cb 0.70 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 3ise h TYR 114 CO 1.37 0.29 -0.16 0.28 -1.05 0.00 0.00 178.16 178.90 3ise h VAL 115 N 0.04 1.30 -0.77 -2.88 2.07 -1.95 -2.67 116.25 111.39 3ise h VAL 115 Ca 0.01 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3ise h VAL 115 Cb 0.47 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3ise h VAL 115 CO 0.03 0.40 0.43 0.28 0.02 0.00 0.00 177.57 178.74 3ise h SER 116 N 0.33 0.95 -0.83 0.57 0.02 -1.92 -1.84 113.55 110.82 3ise h SER 116 Ca 0.06 -0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3ise h SER 116 Cb 0.69 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.93 3ise h SER 116 CO 0.05 0.75 0.54 -0.09 -1.14 0.00 0.00 176.83 176.94 3ise h ARG 117 N 1.07 0.79 -0.01 3.45 2.43 -1.21 -2.14 114.38 118.76 3ise h ARG 117 Ca 0.27 -0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 59.14 3ise h ARG 117 Cb 0.01 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3ise h ARG 117 CO -0.05 0.52 -1.00 0.22 -1.51 0.00 0.00 179.97 178.16 3ise h ASP 118 N 0.81 0.90 -0.47 -3.80 3.58 -1.00 -0.91 116.42 115.53 3ise h ASP 118 Ca 0.38 -0.73 0.09 0.00 0.42 0.00 0.00 57.03 57.18 3ise h ASP 118 Cb 0.38 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.08 3ise h ASP 118 CO -0.15 1.51 -0.03 0.25 -2.88 0.00 0.00 179.24 177.94 3ise h LEU 119 N 0.37 -0.26 -0.33 2.28 6.46 -1.27 -0.82 115.31 121.74 3ise h LEU 119 Ca -0.12 0.12 -0.19 0.00 -0.12 0.00 0.00 57.88 57.57 3ise h LEU 119 Cb 1.66 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 3ise h LEU 119 CO 0.20 -0.09 -0.58 -0.07 -0.62 0.00 0.00 178.44 177.27 3ise h LEU 120 N 0.08 0.88 -0.26 2.25 3.38 -1.15 -2.47 115.31 118.01 3ise h LEU 120 Ca 0.23 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3ise h LEU 120 Cb 0.35 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 3ise h LEU 120 CO -0.42 1.27 -0.25 0.11 0.09 0.00 0.00 178.44 179.24 3ise h LYS 121 N 0.59 -0.24 -0.18 1.13 6.56 -0.84 0.43 116.57 124.01 3ise h LYS 121 Ca 0.00 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.64 3ise h LYS 121 Cb 1.18 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.86 3ise h LYS 121 CO 0.12 -0.16 -0.02 -0.44 -2.06 0.00 0.00 179.45 176.89 3ise h ASP 122 N -0.25 -0.12 -0.77 0.86 3.32 -1.05 -0.98 116.42 117.43 3ise h ASP 122 Ca 0.14 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.26 3ise h ASP 122 Cb 0.47 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3ise h ASP 122 CO -0.40 -0.03 0.51 0.40 -1.72 0.00 0.00 179.24 177.99 3ise h ILE 123 N 0.03 1.16 -0.34 0.35 2.04 -1.19 -1.96 117.51 117.61 3ise h ILE 123 Ca 0.09 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 3ise h ILE 123 Cb 0.12 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3ise h ILE 123 CO -0.16 0.18 -0.28 0.25 0.00 0.00 0.00 178.15 178.14 3ise h LEU 124 N 1.00 0.83 -1.33 1.44 5.85 -0.09 -0.45 115.31 122.55 3ise h LEU 124 Ca 0.29 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 3ise h LEU 124 Cb -0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3ise h LEU 124 CO -0.07 1.11 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.87 3ise h GLU 125 N 0.56 0.22 -0.26 1.25 4.81 -1.00 0.28 114.58 120.44 3ise h GLU 125 Ca 0.06 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 3ise h GLU 125 Cb 0.85 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3ise h GLU 125 CO 0.07 0.41 -0.53 1.03 -0.73 0.00 0.00 179.01 179.26 3ise h SER 126 N 0.21 0.86 0.73 1.04 0.87 -0.76 -1.84 113.55 114.65 3ise h SER 126 Ca 0.04 -0.45 -0.10 0.00 -1.23 0.00 0.00 61.79 60.05 3ise h SER 126 Cb 0.45 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3ise h SER 126 CO 0.03 1.22 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.76 3ise h GLU 127 N 0.60 0.00 -0.12 2.24 4.39 -0.34 -2.33 114.58 119.02 3ise h GLU 127 Ca 0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 3ise h GLU 127 Cb 1.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3ise h GLU 127 CO 0.11 0.46 -0.50 0.93 -1.16 0.00 0.00 179.01 178.86 3ise h GLU 128 N 0.00 0.55 -0.92 2.33 5.08 -0.26 -1.77 114.58 119.59 3ise h GLU 128 Ca -0.00 -0.43 0.13 0.00 -1.00 0.00 0.00 59.36 58.05 3ise h GLU 128 Cb 0.95 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 3ise h GLU 128 CO 0.06 1.05 0.54 0.93 -1.00 0.00 0.00 179.01 180.59 3ise h GLU 129 N 0.17 0.81 -0.76 2.33 5.08 -1.26 -2.16 114.58 118.79 3ise h GLU 129 Ca -0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3ise h GLU 129 Cb 1.13 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 3ise h GLU 129 CO 0.10 0.53 0.36 1.25 -1.00 0.00 0.00 179.01 180.25 3ise h HIS 130 N 0.83 1.11 -0.72 4.33 2.76 -1.03 -0.61 115.15 121.81 3ise h HIS 130 Ca 0.47 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.63 3ise h HIS 130 Cb 0.53 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.10 3ise h HIS 130 CO -0.04 0.82 0.42 0.82 -1.30 0.00 0.00 177.93 178.65 3ise h ILE 131 N 1.07 1.01 -0.50 6.26 2.04 -0.92 -1.72 117.51 124.76 3ise h ILE 131 Ca 0.26 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3ise h ILE 131 Cb 0.13 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3ise h ILE 131 CO -0.03 0.14 0.24 -0.78 0.00 0.00 0.00 178.15 177.72 3ise h ASP 132 N 0.78 0.65 -0.68 1.72 3.58 -0.56 -0.98 116.42 120.93 3ise h ASP 132 Ca 0.31 -0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.74 3ise h ASP 132 Cb 0.15 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 40.96 3ise h ASP 132 CO -0.17 0.59 0.29 0.22 -2.88 0.00 0.00 179.24 177.29 3ise h TYR 133 N 0.66 0.50 0.31 0.28 3.20 -0.79 -1.08 116.97 120.05 3ise h TYR 133 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ise h TYR 133 Cb 0.11 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3ise h TYR 133 CO -0.01 0.13 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.42 3ise h LEU 134 N 0.48 -0.35 -1.10 2.82 -0.00 -0.38 -1.28 115.31 115.50 3ise h LEU 134 Ca 0.35 -0.19 0.21 0.00 -0.00 0.00 0.00 57.88 58.25 3ise h LEU 134 Cb 0.44 0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 41.09 3ise h LEU 134 CO -0.32 0.05 0.62 -0.33 -0.00 0.00 0.00 178.44 178.46 3ise h GLU 135 N -0.81 0.63 -0.23 1.13 5.08 -1.26 -0.68 114.58 118.44 3ise h GLU 135 Ca -0.04 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 3ise h GLU 135 Cb 0.52 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.63 3ise h GLU 135 CO 0.07 0.42 -0.65 1.15 -1.00 0.00 0.00 179.01 179.00 3ise h THR 136 N 0.65 1.27 -0.31 1.13 2.02 -0.87 -1.15 112.91 115.65 3ise h THR 136 Ca 0.58 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 3ise h THR 136 Cb 1.06 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 3ise h THR 136 CO -0.37 0.59 0.14 1.56 0.37 0.00 0.00 175.52 177.81 3ise h GLN 137 N 0.62 0.45 -0.90 6.66 1.08 -0.66 0.10 115.11 122.47 3ise h GLN 137 Ca -0.02 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3ise h GLN 137 Cb 1.27 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.56 3ise h GLN 137 CO 0.14 0.44 0.56 -0.07 -0.95 0.00 0.00 178.83 178.95 3ise h LEU 138 N 0.36 0.89 -0.76 1.46 -0.00 -1.06 0.86 115.31 117.06 3ise h LEU 138 Ca 0.10 0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.93 3ise h LEU 138 Cb 0.15 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.60 3ise h LEU 138 CO -0.01 0.57 0.19 1.23 -0.00 0.00 0.00 178.44 180.42 3ise h GLY 139 N 1.03 1.21 2.00 0.83 0.00 -0.81 -2.80 103.07 104.53 3ise h GLY 139 Ca 0.39 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3ise h GLY 139 CO -0.17 0.69 -0.21 1.41 0.00 0.00 0.00 176.54 178.26 3ise h LEU 140 N 1.07 0.00 -0.53 3.11 3.38 0.16 -1.87 115.31 120.63 3ise h LEU 140 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 3ise h LEU 140 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ise h LEU 140 CO -0.00 0.21 -0.66 0.40 0.09 0.00 0.00 178.44 178.48 3ise h ILE 141 N 0.00 1.38 -0.24 1.22 2.04 -0.95 -1.42 117.51 119.54 3ise h ILE 141 Ca -0.00 -2.06 -0.08 0.00 1.00 0.00 0.00 64.86 63.72 3ise h ILE 141 Cb 0.60 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3ise h ILE 141 CO 0.03 0.61 -0.14 1.56 0.00 0.00 0.00 178.15 180.21 3ise h GLN 142 N 0.23 0.53 -0.14 2.37 1.08 -1.37 -1.48 115.11 116.32 3ise h GLN 142 Ca -0.02 -0.24 -0.15 0.00 -1.45 0.00 0.00 58.65 56.79 3ise h GLN 142 Cb 1.20 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 3ise h GLN 142 CO 0.11 0.80 -0.56 0.87 -0.95 0.00 0.00 178.83 179.10 3ise h LYS 143 N 0.24 0.44 -0.00 1.46 1.57 -1.13 -3.31 116.57 115.83 3ise h LYS 143 Ca 0.05 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3ise h LYS 143 Cb 0.66 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3ise h LYS 143 CO 0.04 0.88 -0.18 1.33 -0.57 0.00 0.00 179.45 180.95 3ise n VAL 144 N -3.94 0.00 0.00 0.50 0.24 -0.56 -5.10 118.33 109.48 3ise n VAL 144 Ca -0.03 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3ise n VAL 144 Cb 0.60 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 3ise n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ise n GLY 145 N 0.88 -0.97 0.34 7.63 0.00 -0.56 -4.35 105.19 108.17 3ise n GLY 145 Ca 0.02 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 3ise n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ise h LEU 146 N 0.00 0.94 -0.62 0.99 5.85 -1.90 -1.95 115.31 118.63 3ise h LEU 146 Ca 0.00 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 3ise h LEU 146 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3ise h LEU 146 CO 0.00 0.77 -0.65 1.05 -0.34 0.00 0.00 178.44 179.27 3ise h GLU 147 N 1.05 0.00 -0.08 1.25 9.09 -1.93 -1.47 114.58 122.49 3ise h GLU 147 Ca 0.26 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.63 3ise h GLU 147 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3ise h GLU 147 CO -0.04 0.65 -0.13 -0.91 0.05 0.00 0.00 179.01 178.63 3ise h ASN 148 N 0.00 0.26 -0.30 3.06 2.35 -1.73 -2.58 115.58 116.64 3ise h ASN 148 Ca -0.01 -0.54 0.06 0.00 -0.55 0.00 0.00 56.30 55.27 3ise h ASN 148 Cb 1.20 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.44 3ise h ASN 148 CO 0.08 0.75 -0.10 0.22 -1.65 0.00 0.00 177.43 176.73 3ise h TYR 149 N -0.22 -0.23 -0.34 1.19 3.20 -1.15 0.28 116.97 119.71 3ise h TYR 149 Ca 0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3ise h TYR 149 Cb 0.70 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 3ise h TYR 149 CO 0.10 -0.16 0.20 -0.07 -1.64 0.00 0.00 178.16 176.59 3ise h LEU 150 N -0.04 0.32 -0.57 2.82 3.38 -1.36 -2.77 115.31 117.10 3ise h LEU 150 Ca 0.15 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.23 3ise h LEU 150 Cb 0.27 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3ise h LEU 150 CO -0.33 0.23 0.13 -0.61 0.09 0.00 0.00 178.44 177.95 3ise h GLN 151 N 0.41 0.26 0.00 1.13 4.15 -0.92 0.13 115.11 120.26 3ise h GLN 151 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3ise h GLN 151 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3ise h GLN 151 CO -0.06 0.17 0.00 0.43 -1.93 0.00 0.00 178.83 177.44 3ise n SER 152 N -5.11 0.00 -0.12 -0.69 7.64 0.01 -2.29 113.62 113.06 3ise n SER 152 Ca 0.08 0.20 0.06 0.00 1.01 0.00 0.00 58.87 60.22 3ise n SER 152 Cb 0.29 -0.27 0.09 0.00 -1.01 0.00 0.00 64.21 63.31 3ise n SER 152 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3ise n HIS 153 N -1.27 0.00 0.08 1.43 8.25 0.41 -4.71 115.22 119.41 3ise n HIS 153 Ca 0.03 -0.72 -0.11 0.00 -0.26 0.00 0.00 57.72 56.66 3ise n HIS 153 Cb 0.04 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 30.97 3ise n HIS 153 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3ise h MET 154 N 0.00 -0.27 -6.14 -0.41 2.86 -1.10 -2.27 114.93 107.58 3ise h MET 154 Ca 0.00 0.02 -0.54 0.00 -2.06 0.00 0.00 59.70 57.12 3ise h MET 154 Cb 0.97 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 3ise h MET 154 CO 0.00 0.11 -0.39 -1.01 1.06 0.00 0.00 176.91 176.68 3ise s HIS 155 N -3.55 3.49 -2.00 -0.22 3.76 -1.26 -1.58 115.29 113.92 3ise s HIS 155 Ca -0.12 0.26 0.28 0.00 -0.15 0.00 0.00 55.06 55.33 3ise s HIS 155 Cb 0.01 -1.79 1.68 0.00 1.11 0.00 0.00 32.58 33.60 3ise s HIS 155 CO 0.45 0.44 2.02 0.39 -0.85 0.00 0.00 174.74 177.19