#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ise n ASP 4 N 0.00 3.82 0.27 1.61 2.03 -1.26 -4.92 116.55 118.10 3ise n ASP 4 Ca 0.00 1.04 0.12 0.00 0.52 0.00 0.00 54.79 56.47 3ise n ASP 4 Cb 0.00 -1.53 0.77 0.00 -0.72 0.00 0.00 41.12 39.64 3ise n ASP 4 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3ise h LYS 5 N 7.27 0.00 0.04 -0.67 3.64 -1.99 -0.70 116.57 124.16 3ise h LYS 5 Ca -0.45 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.62 3ise h LYS 5 Cb 1.22 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3ise h LYS 5 CO 0.94 0.07 -1.79 1.63 -2.27 0.00 0.00 179.45 178.03 3ise n LYS 6 N -3.90 0.67 -0.07 1.90 5.02 -1.26 -2.44 118.16 118.08 3ise n LYS 6 Ca -0.03 0.29 -0.07 0.00 -2.02 0.00 0.00 58.31 56.49 3ise n LYS 6 Cb 0.16 -1.77 -0.01 0.00 -0.02 0.00 0.00 35.03 33.39 3ise n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ise h VAL 7 N 0.02 0.59 0.00 -0.18 2.07 -1.79 -1.06 116.25 115.90 3ise h VAL 7 Ca -0.33 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3ise h VAL 7 Cb 2.02 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3ise h VAL 7 CO 0.08 0.00 -0.16 0.40 0.02 0.00 0.00 177.57 177.91 3ise h ILE 8 N -0.08 0.71 -0.09 4.57 2.04 -1.20 -0.97 117.51 122.50 3ise h ILE 8 Ca 0.15 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 3ise h ILE 8 Cb 0.31 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3ise h ILE 8 CO -0.34 0.16 -0.29 1.56 0.00 0.00 0.00 178.15 179.24 3ise h GLN 9 N 0.00 0.35 -0.07 2.37 4.20 -1.12 -2.30 115.11 118.54 3ise h GLN 9 Ca -0.00 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.48 3ise h GLN 9 Cb 0.40 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3ise h GLN 9 CO 0.02 0.88 -0.16 0.45 -0.67 0.00 0.00 178.83 179.35 3ise h HIS 10 N -0.12 -0.41 -0.63 2.96 3.86 -0.65 -0.81 115.15 119.34 3ise h HIS 10 Ca -0.01 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 3ise h HIS 10 Cb 0.92 0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 3ise h HIS 10 CO 0.12 -0.23 0.32 -0.07 0.86 0.00 0.00 177.93 178.93 3ise h LEU 11 N -0.23 0.44 -1.84 2.43 3.38 -1.22 0.74 115.31 119.01 3ise h LEU 11 Ca 0.07 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ise h LEU 11 Cb 0.33 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ise h LEU 11 CO -0.20 0.28 -0.13 0.78 0.09 0.00 0.00 178.44 179.25 3ise h ASN 12 N 0.58 0.00 0.05 -0.43 2.35 -1.14 0.19 115.58 117.19 3ise h ASN 12 Ca 0.29 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3ise h ASN 12 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3ise h ASN 12 CO -0.21 0.13 -0.02 0.50 -1.65 0.00 0.00 177.43 176.17 3ise h LYS 13 N 0.00 -0.07 -0.39 0.81 3.64 0.56 -1.14 116.57 119.98 3ise h LYS 13 Ca -0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3ise h LYS 13 Cb 0.27 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 3ise h LYS 13 CO 0.02 0.55 -0.26 0.82 -2.27 0.00 0.00 179.45 178.30 3ise h ILE 14 N -0.80 0.32 -0.94 2.00 1.08 -0.91 -0.26 117.51 118.00 3ise h ILE 14 Ca -0.01 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.66 3ise h ILE 14 Cb 0.65 0.32 -0.11 0.00 -3.07 0.00 0.00 36.82 34.60 3ise h ILE 14 CO 0.01 0.00 0.51 0.25 -0.69 0.00 0.00 178.15 178.23 3ise h LEU 15 N -0.20 0.58 -1.53 1.44 5.85 -0.65 0.25 115.31 121.06 3ise h LEU 15 Ca 0.18 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3ise h LEU 15 Cb 0.49 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3ise h LEU 15 CO -0.51 0.15 -0.18 1.23 -0.34 0.00 0.00 178.44 178.80 3ise h GLY 16 N 0.59 0.09 1.18 3.75 0.00 0.23 -0.03 103.07 108.89 3ise h GLY 16 Ca 0.56 -0.05 -0.28 0.00 0.00 0.00 0.00 47.33 47.55 3ise h GLY 16 CO -0.44 0.05 -1.17 3.43 0.00 0.00 0.00 176.54 178.41 3ise h ASN 17 N 0.08 0.86 -0.38 0.19 2.35 0.38 -3.01 115.58 116.06 3ise h ASN 17 Ca 0.02 -0.81 -0.02 0.00 -0.55 0.00 0.00 56.30 54.94 3ise h ASN 17 Cb 0.36 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3ise h ASN 17 CO 0.02 1.58 0.18 -0.33 -1.65 0.00 0.00 177.43 177.24 3ise h GLU 18 N 0.25 0.59 -0.58 0.81 4.39 -0.19 -2.04 114.58 117.81 3ise h GLU 18 Ca -0.17 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 3ise h GLU 18 Cb 1.85 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 3ise h GLU 18 CO 0.23 0.47 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.46 3ise h LEU 19 N 0.59 1.03 -1.01 1.33 3.38 -1.03 -1.17 115.31 118.43 3ise h LEU 19 Ca 0.15 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3ise h LEU 19 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3ise h LEU 19 CO -0.02 1.09 -0.04 0.40 0.09 0.00 0.00 178.44 179.96 3ise h ILE 20 N 0.94 1.23 -0.19 1.22 2.04 -1.33 -2.96 117.51 118.46 3ise h ILE 20 Ca 0.16 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 3ise h ILE 20 Cb 0.58 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3ise h ILE 20 CO 0.03 0.34 -0.14 0.00 0.00 0.00 0.00 178.15 178.38 3ise h ALA 21 N 1.33 0.27 -0.55 1.87 0.00 -1.06 -1.35 119.26 119.77 3ise h ALA 21 Ca 0.12 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.78 3ise h ALA 21 Cb 0.45 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 3ise h ALA 21 CO 0.02 0.15 -0.52 0.82 0.00 0.00 0.00 179.25 179.72 3ise h ILE 22 N 0.10 0.03 -0.39 0.00 2.04 -1.12 -1.10 117.51 117.07 3ise h ILE 22 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3ise h ILE 22 Cb 0.66 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3ise h ILE 22 CO 0.04 0.00 0.05 0.78 0.00 0.00 0.00 178.15 179.02 3ise h ASN 23 N -0.28 0.63 -0.38 1.72 4.21 -1.48 -1.77 115.58 118.22 3ise h ASN 23 Ca 0.12 -0.27 -0.07 0.00 1.21 0.00 0.00 56.30 57.30 3ise h ASN 23 Cb 0.56 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 3ise h ASN 23 CO -0.68 0.74 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.57 3ise h GLN 24 N 0.49 0.68 -0.16 0.81 4.15 -1.08 -1.31 115.11 118.70 3ise h GLN 24 Ca 0.12 -0.23 -0.13 0.00 0.77 0.00 0.00 58.65 59.18 3ise h GLN 24 Cb 0.39 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3ise h GLN 24 CO 0.01 0.79 -0.47 1.88 -1.93 0.00 0.00 178.83 179.11 3ise h TYR 25 N 0.50 0.49 -0.16 3.99 0.05 -1.22 -1.70 116.97 118.92 3ise h TYR 25 Ca 0.10 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 3ise h TYR 25 Cb 0.50 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3ise h TYR 25 CO 0.04 0.80 0.00 0.35 -1.05 0.00 0.00 178.16 178.30 3ise h PHE 26 N 0.32 0.31 -0.34 4.88 3.04 -1.16 -0.05 116.94 123.94 3ise h PHE 26 Ca 0.02 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 3ise h PHE 26 Cb 0.95 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 3ise h PHE 26 CO 0.03 0.50 0.19 1.25 -2.02 0.00 0.00 178.31 178.26 3ise h LEU 27 N 0.03 0.43 -0.20 0.59 5.85 -1.18 -0.55 115.31 120.28 3ise h LEU 27 Ca 0.05 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3ise h LEU 27 Cb 0.37 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3ise h LEU 27 CO 0.01 0.39 -0.16 0.45 -0.34 0.00 0.00 178.44 178.79 3ise h HIS 28 N 0.43 -0.40 -0.46 1.25 3.86 -1.15 -0.44 115.15 118.24 3ise h HIS 28 Ca 0.12 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 3ise h HIS 28 Cb 0.05 0.21 -0.09 0.00 1.06 0.00 0.00 27.41 28.64 3ise h HIS 28 CO -0.03 -0.23 -0.52 1.03 0.86 0.00 0.00 177.93 179.04 3ise h SER 29 N -0.16 -1.75 0.39 2.45 0.87 -0.68 0.12 113.55 114.78 3ise h SER 29 Ca 0.12 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 3ise h SER 29 Cb 0.35 0.74 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 3ise h SER 29 CO -0.30 -0.38 -0.10 0.03 -0.53 0.00 0.00 176.83 175.55 3ise h ARG 30 N -0.35 0.00 -0.00 2.24 -0.00 -0.58 -0.85 114.38 114.84 3ise h ARG 30 Ca 0.10 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.52 3ise h ARG 30 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.56 3ise h ARG 30 CO -0.62 0.10 -0.23 0.52 0.00 0.00 0.00 179.97 179.74 3ise h MET 31 N 0.00 0.16 -0.83 0.04 2.86 -0.36 -1.93 114.93 114.88 3ise h MET 31 Ca -0.00 -0.17 0.11 0.00 -2.06 0.00 0.00 59.70 57.59 3ise h MET 31 Cb 0.32 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 3ise h MET 31 CO 0.01 0.91 0.54 -1.49 1.06 0.00 0.00 176.91 177.94 3ise h TRP 32 N -0.53 0.78 0.17 -0.22 6.55 -0.46 -1.18 115.95 121.06 3ise h TRP 32 Ca -0.03 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.82 3ise h TRP 32 Cb 0.99 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 29.04 3ise h TRP 32 CO 0.18 0.34 -0.08 -0.91 -1.05 0.00 0.00 178.44 176.92 3ise h ASN 33 N 0.70 -0.19 -0.96 -3.49 -0.26 -1.15 0.35 115.58 110.58 3ise h ASN 33 Ca 0.39 -0.30 0.30 0.00 -0.56 0.00 0.00 56.30 56.14 3ise h ASN 33 Cb 0.56 0.05 -0.15 0.00 -1.06 0.00 0.00 38.32 37.72 3ise h ASN 33 CO -0.16 0.23 0.43 -0.78 -1.06 0.00 0.00 177.43 176.09 3ise h ASP 34 N -0.65 0.29 1.24 5.81 3.58 -0.88 0.63 116.42 126.44 3ise h ASP 34 Ca -0.02 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3ise h ASP 34 Cb 0.48 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.73 3ise h ASP 34 CO 0.04 -0.17 0.00 0.79 -2.88 0.00 0.00 179.24 177.01 3ise n TRP 35 N -5.14 0.58 -0.44 0.28 8.01 -0.49 -4.89 117.44 115.34 3ise n TRP 35 Ca 0.28 0.17 0.00 0.00 -1.31 0.00 0.00 57.50 56.65 3ise n TRP 35 Cb 0.90 -0.78 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 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 1.26 0.75 2.90 6.99 0.00 0.22 -4.99 105.19 112.32 3ise n GLY 36 Ca 0.06 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 6.66 0.21 0.99 4.77 0.08 -4.52 117.00 125.18 3ise n LEU 37 Ca 0.00 -5.00 0.14 0.00 -0.03 0.00 0.00 56.01 51.13 3ise n LEU 37 Cb 0.00 -1.35 0.50 0.00 -2.33 0.00 0.00 43.42 40.24 3ise n LEU 37 CO 0.00 1.62 0.91 0.11 -1.33 0.00 0.00 177.39 178.70 3ise h LYS 38 N 5.43 0.00 0.18 3.23 1.57 -1.07 -1.38 116.57 124.53 3ise h LYS 38 Ca 0.32 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.77 3ise h LYS 38 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.91 3ise h LYS 38 CO 1.45 0.00 -1.53 -0.09 -0.57 0.00 0.00 179.45 178.71 3ise h ARG 39 N 0.00 0.39 -0.72 3.15 2.43 -1.56 -1.90 114.38 116.18 3ise h ARG 39 Ca 0.00 -0.67 -0.06 0.00 -0.81 0.00 0.00 59.98 58.44 3ise h ARG 39 Cb 0.60 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 3ise h ARG 39 CO 0.00 1.30 0.21 -0.07 -1.51 0.00 0.00 179.97 179.90 3ise h LEU 40 N 0.11 1.06 -0.34 3.80 3.38 -1.59 -2.02 115.31 119.70 3ise h LEU 40 Ca -0.26 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.57 3ise h LEU 40 Cb 2.09 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 42.47 3ise h LEU 40 CO 0.21 0.99 -0.27 1.23 0.09 0.00 0.00 178.44 180.69 3ise h GLY 41 N 1.07 -0.16 1.00 0.83 0.00 -1.15 -0.93 103.07 103.73 3ise h GLY 41 Ca 0.23 0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.83 3ise h GLY 41 CO -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 176.54 176.31 3ise h ALA 42 N 0.84 0.63 -0.37 3.60 0.00 -1.34 -0.39 119.26 122.23 3ise h ALA 42 Ca 0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ise h ALA 42 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ise h ALA 42 CO -0.48 0.45 -0.00 1.25 0.00 0.00 0.00 179.25 180.47 3ise h HIS 43 N 0.69 0.61 0.20 0.00 6.17 -1.06 -2.16 115.15 119.59 3ise h HIS 43 Ca 0.13 -0.07 -0.32 0.00 0.71 0.00 0.00 60.37 60.82 3ise h HIS 43 Cb 0.53 -0.17 0.02 0.00 2.52 0.00 0.00 27.41 30.31 3ise h HIS 43 CO 0.04 0.59 -1.48 1.49 0.71 0.00 0.00 177.93 179.28 3ise h GLU 44 N 0.55 0.43 -0.56 5.26 4.57 -0.94 -1.73 114.58 122.16 3ise h GLU 44 Ca 0.12 -0.73 0.11 0.00 -1.18 0.00 0.00 59.36 57.68 3ise h GLU 44 Cb 0.36 0.27 -0.11 0.00 -0.16 0.00 0.00 28.75 29.11 3ise h GLU 44 CO 0.01 1.34 -0.14 -0.92 -1.18 0.00 0.00 179.01 178.12 3ise h TYR 45 N 0.12 -0.30 -0.24 0.92 3.20 -0.98 -0.99 116.97 118.69 3ise h TYR 45 Ca -0.24 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.60 3ise h TYR 45 Cb 2.10 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 40.58 3ise h TYR 45 CO 0.10 -0.24 -0.17 0.45 -1.64 0.00 0.00 178.16 176.66 3ise h HIS 46 N -0.00 0.46 -0.92 -3.82 3.86 -1.05 -0.35 115.15 113.33 3ise h HIS 46 Ca 0.27 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.43 3ise h HIS 46 Cb 0.41 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.71 3ise h HIS 46 CO -0.47 0.58 0.60 0.93 0.86 0.00 0.00 177.93 180.43 3ise h GLU 47 N 0.39 1.16 -0.52 2.45 4.39 -0.82 -1.28 114.58 120.35 3ise h GLU 47 Ca 0.07 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3ise h GLU 47 Cb 0.53 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3ise h GLU 47 CO 0.03 0.77 0.05 1.03 -1.16 0.00 0.00 179.01 179.73 3ise h SER 48 N 1.19 0.85 -0.61 1.42 0.87 0.23 -2.71 113.55 114.80 3ise h SER 48 Ca 0.36 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3ise h SER 48 Cb -0.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3ise h SER 48 CO -0.10 0.92 0.08 0.40 -0.53 0.00 0.00 176.83 177.60 3ise h ILE 49 N 0.75 1.26 -0.74 2.23 1.08 -1.03 -1.82 117.51 119.25 3ise h ILE 49 Ca 0.15 -1.04 0.12 0.00 -0.39 0.00 0.00 64.86 63.70 3ise h ILE 49 Cb 0.46 0.74 -0.08 0.00 -3.07 0.00 0.00 36.82 34.86 3ise h ILE 49 CO 0.02 0.38 0.34 0.44 -0.69 0.00 0.00 178.15 178.64 3ise h ASP 50 N 0.93 0.39 0.38 1.72 5.19 -1.05 -1.56 116.42 122.42 3ise h ASP 50 Ca 0.18 0.08 -0.20 0.00 -0.62 0.00 0.00 57.03 56.48 3ise h ASP 50 Cb 0.46 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 3ise h ASP 50 CO 0.02 0.19 -0.82 -0.33 -3.12 0.00 0.00 179.24 175.18 3ise h GLU 51 N 0.53 0.33 -0.97 3.56 4.39 -1.14 -2.22 114.58 119.07 3ise h GLU 51 Ca 0.39 -0.31 0.15 0.00 0.34 0.00 0.00 59.36 59.93 3ise h GLU 51 Cb 0.51 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.14 3ise h GLU 51 CO -0.34 0.98 0.58 0.52 -1.16 0.00 0.00 179.01 179.60 3ise h MET 52 N 0.21 0.80 -0.05 2.33 2.86 -0.63 0.12 114.93 120.57 3ise h MET 52 Ca -0.05 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 3ise h MET 52 Cb 1.42 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3ise h MET 52 CO 0.13 0.53 -0.76 0.87 1.06 0.00 0.00 176.91 178.75 3ise h LYS 53 N 0.82 0.30 -0.17 1.72 1.57 -0.84 -1.13 116.57 118.85 3ise h LYS 53 Ca 0.52 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.88 3ise h LYS 53 Cb 0.68 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3ise h LYS 53 CO -0.33 0.92 -0.53 0.45 -0.57 0.00 0.00 179.45 179.39 3ise h HIS 54 N 0.20 0.62 -0.20 -1.35 3.86 -0.98 -2.30 115.15 115.00 3ise h HIS 54 Ca -0.03 -0.21 0.05 0.00 -1.16 0.00 0.00 60.37 59.01 3ise h HIS 54 Cb 1.33 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.63 3ise h HIS 54 CO 0.04 0.92 -0.13 0.00 0.86 0.00 0.00 177.93 179.62 3ise h ALA 55 N 1.04 0.03 -0.23 2.45 0.00 -0.58 -1.84 119.26 120.13 3ise h ALA 55 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ise h ALA 55 Cb 1.06 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3ise h ALA 55 CO 0.10 -0.55 0.11 0.22 0.00 0.00 0.00 179.25 179.13 3ise h ASP 56 N -0.12 0.17 -0.47 0.00 3.58 -1.05 -2.09 116.42 116.44 3ise h ASP 56 Ca 0.11 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.58 3ise h ASP 56 Cb 0.29 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 3ise h ASP 56 CO -0.27 0.13 0.30 0.11 -2.88 0.00 0.00 179.24 176.63 3ise h LYS 57 N 0.24 0.59 -0.29 0.28 1.79 -1.18 -2.21 116.57 115.79 3ise h LYS 57 Ca 0.09 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3ise h LYS 57 Cb 0.02 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 3ise h LYS 57 CO -0.06 0.39 0.12 -0.07 -1.08 0.00 0.00 179.45 178.75 3ise h LEU 58 N 0.61 0.40 -1.33 2.94 3.38 -1.18 -1.61 115.31 118.52 3ise h LEU 58 Ca 0.18 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.12 3ise h LEU 58 Cb -0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3ise h LEU 58 CO -0.05 0.44 0.55 0.40 0.09 0.00 0.00 178.44 179.86 3ise h ILE 59 N 0.33 0.89 0.04 1.22 2.04 -1.05 0.11 117.51 121.09 3ise h ILE 59 Ca 0.10 -0.24 -0.26 0.00 1.00 0.00 0.00 64.86 65.46 3ise h ILE 59 Cb 0.16 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3ise h ILE 59 CO -0.01 0.13 -1.07 -0.33 0.00 0.00 0.00 178.15 176.87 3ise h GLU 60 N 0.70 0.50 -0.38 2.37 5.08 -0.82 -1.83 114.58 120.20 3ise h GLU 60 Ca 0.41 -0.60 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 3ise h GLU 60 Cb 0.59 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3ise h GLU 60 CO -0.17 1.23 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.84 3ise h ARG 61 N 0.26 0.77 0.47 2.33 9.65 -0.74 -0.69 114.38 126.42 3ise h ARG 61 Ca -0.12 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 3ise h ARG 61 Cb 1.73 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 30.26 3ise h ARG 61 CO 0.19 0.93 -0.35 0.82 2.80 0.00 0.00 179.97 184.36 3ise h ILE 62 N 0.57 0.00 -1.02 1.20 2.04 -0.78 -2.03 117.51 117.50 3ise h ILE 62 Ca 0.09 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.22 3ise h ILE 62 Cb 0.67 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.63 3ise h ILE 62 CO 0.05 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.73 3ise h LEU 63 N -0.79 0.61 -0.20 1.44 4.07 -1.31 -0.17 115.31 118.96 3ise h LEU 63 Ca -0.06 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 3ise h LEU 63 Cb 0.66 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 3ise h LEU 63 CO 0.02 0.06 0.03 0.15 -1.08 0.00 0.00 178.44 177.62 3ise h PHE 64 N 0.51 0.36 0.00 1.13 3.57 -0.96 -1.98 116.94 119.57 3ise h PHE 64 Ca 0.66 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 62.11 3ise h PHE 64 Cb 1.36 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3ise h PHE 64 CO -0.01 0.48 0.00 1.28 -2.23 0.00 0.00 178.31 177.84 3ise n LEU 65 N -4.74 0.01 -0.94 0.59 4.77 -0.15 -4.84 117.00 111.70 3ise n LEU 65 Ca -0.04 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3ise n LEU 65 Cb 0.19 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3ise n LEU 65 CO 0.36 0.00 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.69 3ise n GLU 66 N -0.48 -0.84 -2.55 3.23 1.02 -0.75 -3.78 120.64 116.49 3ise n GLU 66 Ca 0.00 0.90 -0.24 0.00 -0.02 0.00 0.00 57.16 57.80 3ise n GLU 66 Cb 0.00 -4.91 0.11 0.00 -0.02 0.00 0.00 31.44 26.62 3ise n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ise s GLY 67 N -2.85 1.76 -0.25 0.62 0.00 -0.93 -4.99 107.32 100.68 3ise s GLY 67 Ca 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 44.72 43.00 3ise s GLY 67 CO 0.00 -1.11 0.02 1.08 0.00 0.00 0.00 173.10 173.09 3ise s LEU 68 N -5.15 3.32 0.11 0.66 1.43 -1.26 -4.26 118.68 113.53 3ise s LEU 68 Ca 0.66 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 3ise s LEU 68 Cb -0.06 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 3ise s LEU 68 CO 0.44 -0.08 1.00 -2.84 0.23 0.00 0.00 176.35 175.11 3ise s PRO 69 N 1.51 4.65 -0.50 1.29 0.02 -1.26 -4.95 135.00 135.76 3ise s PRO 69 Ca 0.05 1.52 -0.16 0.00 0.02 0.00 0.00 61.00 62.42 3ise s PRO 69 Cb -0.15 -3.37 0.09 0.00 0.02 0.00 0.00 34.50 31.09 3ise s PRO 69 CO 0.00 0.13 0.47 1.21 -0.33 0.00 0.00 177.00 178.48 3ise s ASN 70 N 0.17 6.17 0.00 2.53 2.47 -1.26 -4.84 114.94 120.18 3ise s ASN 70 Ca 0.49 -1.40 0.20 0.00 0.42 0.00 0.00 52.86 52.56 3ise s ASN 70 Cb -0.24 -2.21 0.41 0.00 -1.45 0.00 0.00 41.25 37.75 3ise s ASN 70 CO 0.30 -0.76 1.34 0.18 -3.72 0.00 0.00 177.10 174.45 3ise n LEU 71 N 5.40 3.30 0.02 3.21 4.32 -1.26 -4.59 117.00 127.40 3ise n LEU 71 Ca -0.12 -1.63 -0.14 0.00 -0.02 0.00 0.00 56.01 54.11 3ise n LEU 71 Cb 0.43 -0.26 -0.14 0.00 -1.62 0.00 0.00 43.42 41.83 3ise n LEU 71 CO 0.50 0.75 -0.45 -0.61 -1.22 0.00 0.00 177.39 176.36 3ise h GLN 72 N 3.77 0.14 -5.21 3.23 5.75 -2.02 -3.45 115.11 117.32 3ise h GLN 72 Ca 0.00 -0.24 -0.63 0.00 -0.15 0.00 0.00 58.65 57.63 3ise h GLN 72 Cb 0.89 0.09 -0.14 0.00 1.07 0.00 0.00 27.48 29.39 3ise h GLN 72 CO 0.00 0.90 -0.16 -0.51 -2.65 0.00 0.00 178.83 176.41 3ise s ASP 73 N -6.65 6.31 -0.25 -0.69 1.01 -1.26 -5.03 116.67 110.11 3ise s ASP 73 Ca -0.09 0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.48 3ise s ASP 73 Cb 0.07 -2.23 0.04 0.00 1.01 0.00 0.00 42.92 41.81 3ise s ASP 73 CO 0.82 -0.24 -0.10 -0.22 0.21 0.00 0.00 175.17 175.64 3ise s LEU 74 N 2.16 3.17 0.00 1.23 2.96 -1.26 -4.92 118.68 122.02 3ise s LEU 74 Ca 0.17 -1.09 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 3ise s LEU 74 Cb -0.16 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3ise s LEU 74 CO 0.10 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 3ise n GLY 75 N 4.55 -2.80 3.60 7.98 0.00 -1.26 -4.97 105.19 112.30 3ise n GLY 75 Ca -0.16 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.38 3.93 0.18 1.61 2.47 -1.26 -4.97 119.74 121.33 3ise s LYS 76 Ca 0.00 0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.44 3ise s LYS 76 Cb 0.00 -3.72 -0.09 0.00 -1.46 0.00 0.00 37.83 32.56 3ise s LYS 76 CO 0.00 -0.55 1.37 -0.51 0.16 0.00 0.00 175.35 175.82 3ise s LEU 77 N 2.60 4.39 -0.94 5.43 1.02 -1.26 -4.98 118.68 124.94 3ise s LEU 77 Ca 0.25 2.44 -0.11 0.00 0.02 0.00 0.00 54.13 56.74 3ise s LEU 77 Cb -0.15 -3.60 0.24 0.00 0.02 0.00 0.00 46.19 42.70 3ise s LEU 77 CO 0.11 -0.61 0.90 -0.76 0.02 0.00 0.00 176.35 176.00 3ise s LEU 78 N 0.29 6.43 -0.36 1.79 1.43 -1.26 -5.02 118.68 121.96 3ise s LEU 78 Ca 0.60 -3.15 -0.20 0.00 -1.03 0.00 0.00 54.13 50.35 3ise s LEU 78 Cb -0.38 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.68 3ise s LEU 78 CO 0.36 -0.41 0.62 -0.63 0.23 0.00 0.00 176.35 176.51 3ise s ILE 79 N -0.56 4.90 0.99 -0.59 -1.09 -1.26 -4.74 121.20 118.86 3ise s ILE 79 Ca 0.24 0.49 -0.15 0.00 -2.23 0.00 0.00 60.65 59.00 3ise s ILE 79 Cb -0.10 -4.07 0.19 0.00 -1.58 0.00 0.00 42.46 36.89 3ise s ILE 79 CO -0.08 -0.33 1.17 -0.83 -1.23 0.00 0.00 174.94 173.63 3ise s GLY 80 N 1.81 1.62 0.00 6.18 0.00 -1.26 -5.02 107.32 110.65 3ise s GLY 80 Ca 0.23 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3ise s GLY 80 CO 0.15 -0.08 0.16 -1.84 0.00 0.00 0.00 173.10 171.49 3ise n GLU 81 N -4.00 5.08 -4.29 2.90 0.28 -1.26 -4.88 120.64 114.47 3ise n GLU 81 Ca 0.10 -0.12 -0.16 0.00 -0.16 0.00 0.00 57.16 56.82 3ise n GLU 81 Cb 0.59 -0.66 -0.10 0.00 1.43 0.00 0.00 31.44 32.71 3ise n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ise s ASN 82 N -0.94 1.04 0.22 -1.84 2.20 -1.26 -5.06 114.94 109.31 3ise s ASN 82 Ca 0.01 -1.47 -0.08 0.00 -0.94 0.00 0.00 52.86 50.38 3ise s ASN 82 Cb 0.01 0.32 0.21 0.00 -2.00 0.00 0.00 41.25 39.79 3ise s ASN 82 CO 0.05 -0.83 1.89 0.74 -2.94 0.00 0.00 177.10 176.01 3ise h THR 83 N 2.38 1.19 -0.44 0.54 2.02 -1.99 0.12 112.91 116.73 3ise h THR 83 Ca -0.35 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.31 3ise h THR 83 Cb 1.25 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3ise h THR 83 CO 0.54 0.20 -0.27 -0.61 0.37 0.00 0.00 175.52 175.75 3ise h GLN 84 N 1.11 0.95 0.00 6.66 4.15 -2.00 -2.30 115.11 123.68 3ise h GLN 84 Ca 0.32 -0.43 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 3ise h GLN 84 Cb -0.09 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 3ise h GLN 84 CO -0.08 1.10 -0.05 1.49 -1.93 0.00 0.00 178.83 179.36 3ise h GLU 85 N 0.81 0.00 0.09 1.69 4.81 -1.82 -2.32 114.58 117.83 3ise h GLU 85 Ca 0.09 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3ise h GLU 85 Cb 0.85 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.25 3ise h GLU 85 CO 0.08 0.05 -0.59 0.52 -0.73 0.00 0.00 179.01 178.33 3ise h MET 86 N 0.00 0.24 -0.53 1.92 2.86 -0.31 -2.72 114.93 116.39 3ise h MET 86 Ca -0.00 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3ise h MET 86 Cb 0.55 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 3ise h MET 86 CO 0.01 1.16 0.31 -0.07 1.06 0.00 0.00 176.91 179.38 3ise h LEU 87 N -0.48 0.64 -0.34 1.22 3.38 -1.45 -2.25 115.31 116.02 3ise h LEU 87 Ca -0.10 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3ise h LEU 87 Cb 1.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3ise h LEU 87 CO 0.11 0.50 -0.38 -0.61 0.09 0.00 0.00 178.44 178.15 3ise h GLN 88 N 0.73 0.86 -0.93 1.13 5.75 -1.45 -0.29 115.11 120.92 3ise h GLN 88 Ca 0.19 -0.47 0.04 0.00 -0.15 0.00 0.00 58.65 58.26 3ise h GLN 88 Cb -0.02 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 3ise h GLN 88 CO -0.04 1.11 0.61 0.00 -2.65 0.00 0.00 178.83 177.86 3ise h ASP 90 N 1.15 0.28 -0.67 0.00 3.32 -1.27 -0.88 116.42 118.36 3ise h ASP 90 Ca 0.37 -0.40 0.08 0.00 0.02 0.00 0.00 57.03 57.10 3ise h ASP 90 Cb 0.04 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 3ise h ASP 90 CO -0.12 0.62 0.34 0.25 -1.72 0.00 0.00 179.24 178.61 3ise h LEU 91 N -0.06 0.46 -0.25 1.55 5.85 -0.65 0.18 115.31 122.40 3ise h LEU 91 Ca 0.03 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3ise h LEU 91 Cb 0.51 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3ise h LEU 91 CO 0.02 0.28 0.03 0.78 -0.34 0.00 0.00 178.44 179.21 3ise h ASN 92 N 0.60 0.40 -0.65 1.25 2.35 -0.36 -1.29 115.58 117.88 3ise h ASN 92 Ca 0.32 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3ise h ASN 92 Cb 0.28 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 3ise h ASN 92 CO -0.23 0.58 0.36 0.25 -1.65 0.00 0.00 177.43 176.73 3ise h LEU 93 N 0.22 0.52 -0.82 1.61 5.85 -0.73 -2.38 115.31 119.58 3ise h LEU 93 Ca 0.07 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3ise h LEU 93 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3ise h LEU 93 CO 0.01 0.34 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.72 3ise h GLU 94 N 0.66 0.41 -0.38 1.25 4.39 -0.46 -2.00 114.58 118.45 3ise h GLU 94 Ca 0.29 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 3ise h GLU 94 Cb 0.19 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3ise h GLU 94 CO -0.18 0.74 0.11 -0.07 -1.16 0.00 0.00 179.01 178.44 3ise h LEU 95 N 0.34 0.57 -0.81 1.33 3.38 -0.85 -0.53 115.31 118.74 3ise h LEU 95 Ca 0.03 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3ise h LEU 95 Cb 0.84 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3ise h LEU 95 CO 0.07 0.64 0.52 0.50 0.09 0.00 0.00 178.44 180.25 3ise h LYS 96 N 0.47 0.97 -0.08 1.13 1.63 -1.39 -2.45 116.57 116.85 3ise h LYS 96 Ca 0.12 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 3ise h LYS 96 Cb 0.28 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3ise h LYS 96 CO -0.00 0.64 -0.50 0.00 -3.45 0.00 0.00 179.45 176.14 3ise h ALA 97 N 1.35 1.01 -0.01 5.00 0.00 -1.05 -2.55 119.26 123.01 3ise h ALA 97 Ca 0.33 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3ise h ALA 97 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ise h ALA 97 CO -0.12 0.65 -0.63 1.15 0.00 0.00 0.00 179.25 180.30 3ise h THR 98 N 0.17 1.44 0.02 0.00 2.02 -0.81 -1.45 112.91 114.30 3ise h THR 98 Ca 0.01 -2.13 -0.07 0.00 0.77 0.00 0.00 66.41 64.98 3ise h THR 98 Cb 0.94 2.14 0.01 0.00 -1.74 0.00 0.00 68.15 69.50 3ise h THR 98 CO 0.08 0.61 -0.30 0.50 0.37 0.00 0.00 175.52 176.78 3ise h LYS 99 N 0.04 0.17 -0.87 6.66 3.64 -1.37 -2.50 116.57 122.34 3ise h LYS 99 Ca -0.01 -0.21 0.15 0.00 -1.27 0.00 0.00 60.65 59.31 3ise h LYS 99 Cb 1.12 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 3ise h LYS 99 CO 0.09 0.99 0.56 -0.44 -2.27 0.00 0.00 179.45 178.37 3ise h ASP 100 N -0.56 0.61 -0.28 4.20 5.19 -1.45 -2.28 116.42 121.85 3ise h ASP 100 Ca -0.04 0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 3ise h ASP 100 Cb 1.11 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 3ise h ASP 100 CO 0.06 0.31 -0.31 0.25 -3.12 0.00 0.00 179.24 176.42 3ise h LEU 101 N 0.64 0.76 -0.56 1.55 5.85 -1.25 -2.32 115.31 119.99 3ise h LEU 101 Ca 0.44 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3ise h LEU 101 Cb 0.75 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3ise h LEU 101 CO -0.19 1.09 0.30 0.03 -0.34 0.00 0.00 178.44 179.33 3ise h ARG 102 N 0.45 0.55 -0.48 1.25 3.08 -1.24 -1.95 114.38 116.05 3ise h ARG 102 Ca 0.04 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3ise h ARG 102 Cb 0.89 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3ise h ARG 102 CO 0.08 0.37 -0.12 0.93 -1.07 0.00 0.00 179.97 180.15 3ise h GLU 103 N 0.57 0.89 0.00 0.04 5.08 -1.32 -2.25 114.58 117.58 3ise h GLU 103 Ca 0.24 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3ise h GLU 103 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ise h GLU 103 CO -0.16 0.96 -0.43 0.00 -1.00 0.00 0.00 179.01 178.38 3ise h ALA 104 N 1.06 1.16 -0.17 3.43 0.00 -1.33 -2.41 119.26 120.99 3ise h ALA 104 Ca 0.13 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 3ise h ALA 104 Cb 0.65 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ise h ALA 104 CO 0.05 0.54 -0.68 0.82 0.00 0.00 0.00 179.25 179.97 3ise h ILE 105 N 0.00 1.29 -0.60 0.00 2.04 -0.99 -2.12 117.51 117.13 3ise h ILE 105 Ca -0.00 -1.89 0.03 0.00 1.00 0.00 0.00 64.86 63.99 3ise h ILE 105 Cb 0.83 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 3ise h ILE 105 CO 0.06 0.60 0.37 0.58 0.00 0.00 0.00 178.15 179.76 3ise h VAL 106 N 0.50 1.08 -0.55 1.67 2.07 -1.28 -1.06 116.25 118.67 3ise h VAL 106 Ca -0.04 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3ise h VAL 106 Cb 1.31 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3ise h VAL 106 CO 0.14 0.13 0.19 -0.74 0.02 0.00 0.00 177.57 177.32 3ise h HIS 107 N 0.73 0.82 -0.16 1.57 -0.00 -1.40 -2.25 115.15 114.46 3ise h HIS 107 Ca 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3ise h HIS 107 Cb 0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 3ise h HIS 107 CO -0.05 0.65 0.05 0.00 -0.00 0.00 0.00 177.93 178.58 3ise h GLU 109 N 0.07 0.47 0.00 0.00 4.57 -1.12 0.36 114.58 118.94 3ise h GLU 109 Ca 0.05 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 3ise h GLU 109 Cb 0.23 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3ise h GLU 109 CO -0.00 0.31 -0.56 0.37 -1.18 0.00 0.00 179.01 177.95 3ise h GLN 110 N 0.49 0.00 -0.50 1.92 4.15 -1.08 -3.02 115.11 117.07 3ise h GLN 110 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3ise h GLN 110 Cb -0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3ise h GLN 110 CO -0.03 0.56 0.00 1.33 -1.93 0.00 0.00 178.83 178.76 3ise n VAL 111 N -3.26 1.38 -2.34 2.39 0.24 -1.06 -4.96 118.33 110.72 3ise n VAL 111 Ca 0.02 -1.17 -0.12 0.00 -2.04 0.00 0.00 64.34 61.03 3ise n VAL 111 Cb 0.75 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 0.78 -0.70 -3.14 6.34 8.25 -0.41 -4.94 115.22 121.41 3ise n HIS 112 Ca 0.19 0.07 -0.45 0.00 -0.26 0.00 0.00 57.72 57.28 3ise n HIS 112 Cb 0.65 -2.80 -0.00 0.00 1.12 0.00 0.00 29.99 28.96 3ise n HIS 112 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ise s ASP 113 N -2.54 7.15 0.28 0.41 -1.08 -0.02 -4.83 116.67 116.03 3ise s ASP 113 Ca 0.04 -3.20 0.14 0.00 -0.52 0.00 0.00 52.55 49.01 3ise s ASP 113 Cb -0.02 -2.31 0.26 0.00 -1.46 0.00 0.00 42.92 39.39 3ise s ASP 113 CO 0.05 -0.55 1.53 1.88 0.52 0.00 0.00 175.17 178.60 3ise h TYR 114 N 7.05 0.00 -0.09 -5.34 0.05 -1.92 -2.50 116.97 114.22 3ise h TYR 114 Ca 0.24 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.91 3ise h TYR 114 Cb 0.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.63 3ise h TYR 114 CO 0.95 0.58 -0.37 0.28 -1.05 0.00 0.00 178.16 178.55 3ise h VAL 115 N 0.00 1.40 -0.54 -2.88 2.07 -1.97 -2.11 116.25 112.22 3ise h VAL 115 Ca -0.01 -1.73 0.08 0.00 0.82 0.00 0.00 66.70 65.87 3ise h VAL 115 Cb 1.26 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 3ise h VAL 115 CO 0.08 0.51 0.36 0.28 0.02 0.00 0.00 177.57 178.82 3ise h SER 116 N -0.03 0.35 0.76 0.57 0.02 -1.97 -1.90 113.55 111.35 3ise h SER 116 Ca -0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 3ise h SER 116 Cb 1.01 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3ise h SER 116 CO 0.08 0.22 -0.57 -0.09 -1.14 0.00 0.00 176.83 175.33 3ise h ARG 117 N 0.39 0.00 -0.09 3.45 2.43 -1.14 -2.61 114.38 116.81 3ise h ARG 117 Ca 0.24 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.20 3ise h ARG 117 Cb 0.45 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3ise h ARG 117 CO -0.06 0.57 -0.79 0.22 -1.51 0.00 0.00 179.97 178.40 3ise h ASP 118 N 0.00 0.86 -0.67 -3.80 3.58 -0.68 -1.22 116.42 114.49 3ise h ASP 118 Ca -0.01 -0.67 0.04 0.00 0.42 0.00 0.00 57.03 56.82 3ise h ASP 118 Cb 1.11 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.85 3ise h ASP 118 CO 0.07 1.40 0.40 0.25 -2.88 0.00 0.00 179.24 178.48 3ise h LEU 119 N 0.39 0.62 -0.62 2.28 6.46 -1.31 -1.29 115.31 121.84 3ise h LEU 119 Ca -0.07 0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.57 3ise h LEU 119 Cb 1.44 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.24 3ise h LEU 119 CO 0.16 0.42 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.96 3ise h LEU 120 N 0.75 0.72 -0.99 2.25 3.38 -1.40 -1.42 115.31 118.60 3ise h LEU 120 Ca 0.28 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3ise h LEU 120 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ise h LEU 120 CO -0.14 1.01 -0.33 0.11 0.09 0.00 0.00 178.44 179.18 3ise h LYS 121 N 0.57 0.32 -0.17 1.13 1.57 -0.70 0.25 116.57 119.54 3ise h LYS 121 Ca 0.06 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3ise h LYS 121 Cb 0.89 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3ise h LYS 121 CO 0.08 0.62 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.13 3ise h ASP 122 N 0.28 0.30 -0.63 0.86 3.45 -1.09 -0.48 116.42 119.11 3ise h ASP 122 Ca 0.04 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.14 3ise h ASP 122 Cb 0.72 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.38 3ise h ASP 122 CO 0.05 0.55 0.27 0.40 -1.57 0.00 0.00 179.24 178.94 3ise h ILE 123 N 0.05 1.23 -0.68 0.35 2.04 -1.02 -2.87 117.51 116.61 3ise h ILE 123 Ca 0.05 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3ise h ILE 123 Cb 0.40 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3ise h ILE 123 CO 0.01 0.28 0.43 0.25 0.00 0.00 0.00 178.15 179.12 3ise h LEU 124 N 0.88 0.73 -1.53 1.44 5.85 -0.33 -1.06 115.31 121.30 3ise h LEU 124 Ca 0.21 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3ise h LEU 124 Cb 0.18 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3ise h LEU 124 CO -0.02 0.51 0.21 -0.08 -0.34 0.00 0.00 178.44 178.72 3ise h GLU 125 N 0.86 0.52 -0.19 1.25 4.81 -0.97 0.42 114.58 121.28 3ise h GLU 125 Ca 0.26 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.26 3ise h GLU 125 Cb -0.03 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.25 3ise h GLU 125 CO -0.09 0.39 -0.61 1.03 -0.73 0.00 0.00 179.01 179.00 3ise h SER 126 N 0.53 0.87 -0.64 1.04 0.87 -1.21 -2.03 113.55 112.98 3ise h SER 126 Ca 0.14 -0.59 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 3ise h SER 126 Cb 0.02 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 3ise h SER 126 CO -0.02 1.31 0.22 -0.33 -0.53 0.00 0.00 176.83 177.48 3ise h GLU 127 N 0.47 0.98 -0.79 2.24 4.39 -0.55 -1.00 114.58 120.32 3ise h GLU 127 Ca -0.02 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3ise h GLU 127 Cb 1.24 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 3ise h GLU 127 CO 0.13 0.85 0.43 0.93 -1.16 0.00 0.00 179.01 180.20 3ise h GLU 128 N 0.91 1.09 -0.86 2.33 5.08 -0.90 0.44 114.58 122.66 3ise h GLU 128 Ca 0.21 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3ise h GLU 128 Cb 0.27 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3ise h GLU 128 CO -0.01 0.79 0.55 0.93 -1.00 0.00 0.00 179.01 180.28 3ise h GLU 129 N 1.10 1.03 -0.80 2.33 5.08 -0.95 -0.23 114.58 122.14 3ise h GLU 129 Ca 0.28 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3ise h GLU 129 Cb 0.02 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 3ise h GLU 129 CO -0.05 0.68 0.32 1.25 -1.00 0.00 0.00 179.01 180.22 3ise h HIS 130 N 1.06 1.21 -0.45 4.33 2.76 0.17 -1.51 115.15 122.72 3ise h HIS 130 Ca 0.35 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3ise h HIS 130 Cb 0.04 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 3ise h HIS 130 CO -0.02 0.91 0.21 0.82 -1.30 0.00 0.00 177.93 178.55 3ise h ILE 131 N 1.15 1.16 -0.07 6.26 2.04 -0.53 -0.14 117.51 127.38 3ise h ILE 131 Ca 0.27 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3ise h ILE 131 Cb 0.21 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ise h ILE 131 CO -0.02 0.18 -0.01 -0.78 0.00 0.00 0.00 178.15 177.52 3ise h ASP 132 N 0.63 0.13 -0.75 1.72 3.58 -0.62 -1.20 116.42 119.90 3ise h ASP 132 Ca 0.16 -0.35 0.06 0.00 0.42 0.00 0.00 57.03 57.32 3ise h ASP 132 Cb 0.08 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.03 3ise h ASP 132 CO -0.02 0.45 0.44 0.22 -2.88 0.00 0.00 179.24 177.45 3ise h TYR 133 N -0.20 0.80 0.45 0.28 3.20 -0.75 -1.02 116.97 119.73 3ise h TYR 133 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3ise h TYR 133 Cb 0.39 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3ise h TYR 133 CO 0.05 0.39 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.67 3ise h LEU 134 N 0.79 -0.51 -1.22 2.82 4.07 -0.94 -2.14 115.31 118.19 3ise h LEU 134 Ca 0.34 -0.10 0.16 0.00 0.08 0.00 0.00 57.88 58.36 3ise h LEU 134 Cb 0.20 0.13 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 3ise h LEU 134 CO -0.19 -0.13 0.60 -0.33 -1.08 0.00 0.00 178.44 177.31 3ise h GLU 135 N -0.95 0.69 -0.53 1.13 5.08 -1.09 -0.81 114.58 118.10 3ise h GLU 135 Ca -0.06 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 3ise h GLU 135 Cb 0.58 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3ise h GLU 135 CO 0.10 0.46 0.05 1.15 -1.00 0.00 0.00 179.01 179.77 3ise h THR 136 N 0.71 1.24 -0.16 1.13 2.02 -0.99 -0.65 112.91 116.22 3ise h THR 136 Ca 0.49 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 3ise h THR 136 Cb 0.80 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3ise h THR 136 CO -0.25 0.35 -0.02 1.56 0.37 0.00 0.00 175.52 177.53 3ise h GLN 137 N 0.81 0.29 -0.73 6.66 1.08 -0.48 0.34 115.11 123.09 3ise h GLN 137 Ca 0.16 -0.10 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 3ise h GLN 137 Cb 0.41 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 3ise h GLN 137 CO 0.01 0.54 0.41 -0.07 -0.95 0.00 0.00 178.83 178.77 3ise h LEU 138 N 0.02 0.61 -1.10 1.46 4.07 -1.32 -0.26 115.31 118.78 3ise h LEU 138 Ca 0.04 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 3ise h LEU 138 Cb 0.42 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 3ise h LEU 138 CO 0.01 0.38 0.38 1.23 -1.08 0.00 0.00 178.44 179.37 3ise h GLY 139 N 0.74 1.08 2.00 0.83 0.00 -0.93 -2.79 103.07 104.00 3ise h GLY 139 Ca 0.33 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3ise h GLY 139 CO -0.20 0.47 -0.40 1.41 0.00 0.00 0.00 176.54 177.83 3ise h LEU 140 N 1.01 0.00 -0.19 3.11 3.38 0.32 -2.79 115.31 120.16 3ise h LEU 140 Ca 0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 3ise h LEU 140 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ise h LEU 140 CO -0.04 0.40 -0.37 0.40 0.09 0.00 0.00 178.44 178.92 3ise h ILE 141 N 0.00 1.33 -1.00 1.22 2.04 -0.83 -1.64 117.51 118.63 3ise h ILE 141 Ca -0.00 -1.60 0.15 0.00 1.00 0.00 0.00 64.86 64.41 3ise h ILE 141 Cb 0.93 1.87 -0.09 0.00 -0.74 0.00 0.00 36.82 38.79 3ise h ILE 141 CO 0.05 0.49 0.62 1.56 0.00 0.00 0.00 178.15 180.88 3ise h GLN 142 N 0.26 0.86 0.00 2.37 1.08 -1.39 -0.27 115.11 118.01 3ise h GLN 142 Ca 0.01 -0.05 -0.22 0.00 -1.45 0.00 0.00 58.65 56.94 3ise h GLN 142 Cb 0.96 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 3ise h GLN 142 CO 0.08 0.57 -1.39 0.87 -0.95 0.00 0.00 178.83 178.01 3ise h LYS 143 N 0.89 0.00 0.00 1.46 1.57 -1.24 -3.37 116.57 115.87 3ise h LYS 143 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3ise h LYS 143 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3ise h LYS 143 CO -0.31 0.51 -1.11 1.33 -0.57 0.00 0.00 179.45 179.30 3ise n VAL 144 N -3.06 0.00 0.00 0.50 0.24 -0.64 -5.10 118.33 110.27 3ise n VAL 144 Ca -0.10 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3ise n VAL 144 Cb 0.94 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 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 1.58 0.55 0.28 7.63 0.00 -0.12 -4.44 105.19 110.68 3ise n GLY 145 Ca -0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.79 -0.64 0.99 5.85 -1.91 -1.82 115.31 116.99 3ise h LEU 146 Ca 0.00 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3ise h LEU 146 Cb 0.00 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3ise h LEU 146 CO 0.00 -0.25 0.09 -0.33 -0.34 0.00 0.00 178.44 177.61 3ise h GLU 147 N -0.11 1.07 0.09 1.25 5.08 -1.93 -0.99 114.58 119.03 3ise h GLU 147 Ca 0.23 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3ise h GLU 147 Cb 0.48 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3ise h GLU 147 CO -0.58 0.99 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.26 3ise h ASN 148 N 0.98 -0.71 -0.71 1.42 2.35 -1.72 -1.68 115.58 115.50 3ise h ASN 148 Ca 0.19 0.09 0.16 0.00 -0.55 0.00 0.00 56.30 56.19 3ise h ASN 148 Cb 0.45 0.28 -0.11 0.00 0.05 0.00 0.00 38.32 38.99 3ise h ASN 148 CO 0.01 -0.33 0.12 0.22 -1.65 0.00 0.00 177.43 175.80 3ise h TYR 149 N -0.44 0.16 0.23 1.19 3.20 -0.92 -0.97 116.97 119.42 3ise h TYR 149 Ca 0.04 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3ise h TYR 149 Cb 0.48 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3ise h TYR 149 CO -0.24 -0.13 -0.11 -0.07 -1.64 0.00 0.00 178.16 175.97 3ise h LEU 150 N 0.21 -0.26 -0.97 2.82 3.38 -0.89 -2.82 115.31 116.77 3ise h LEU 150 Ca 0.40 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.45 3ise h LEU 150 Cb 0.68 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.31 3ise h LEU 150 CO -0.54 -0.00 -0.13 -0.61 0.09 0.00 0.00 178.44 177.25 3ise h GLN 151 N -0.53 0.01 0.00 1.13 4.15 -0.84 0.71 115.11 119.74 3ise h GLN 151 Ca -0.03 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ise h GLN 151 Cb 0.39 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3ise h GLN 151 CO 0.05 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.39 3ise n SER 152 N -5.56 0.00 -0.05 -0.69 7.64 -0.41 -2.34 113.62 112.21 3ise n SER 152 Ca 0.18 -0.21 0.05 0.00 1.01 0.00 0.00 58.87 59.90 3ise n SER 152 Cb 0.59 -0.16 0.07 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.16 0.00 -0.04 1.43 8.25 0.25 -4.70 115.22 119.24 3ise n HIS 153 Ca 0.10 -0.71 -0.15 0.00 -0.26 0.00 0.00 57.72 56.70 3ise n HIS 153 Cb 0.10 -0.10 -0.08 0.00 1.12 0.00 0.00 29.99 31.04 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 0.45 -6.40 -0.41 2.07 -1.14 -2.13 114.93 107.36 3ise h MET 154 Ca 0.00 -0.32 -0.65 0.00 -2.07 0.00 0.00 59.70 56.66 3ise h MET 154 Cb 0.78 0.05 -0.13 0.00 -1.87 0.00 0.00 31.60 30.44 3ise h MET 154 CO 0.00 0.94 -0.68 -1.01 1.07 0.00 0.00 176.91 177.22 3ise s HIS 155 N -3.86 2.91 -2.15 -0.22 3.76 -1.26 -2.10 115.29 112.37 3ise s HIS 155 Ca -0.13 -0.07 0.31 0.00 -0.15 0.00 0.00 55.06 55.02 3ise s HIS 155 Cb 0.05 -1.50 1.65 0.00 1.11 0.00 0.00 32.58 33.89 3ise s HIS 155 CO 0.79 0.47 2.08 0.39 -0.85 0.00 0.00 174.74 177.62