#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aca n GLN 2 N 0.00 0.00 0.21 1.43 0.00 -1.26 -4.86 117.38 112.90 1aca n GLN 2 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 57.00 57.15 1aca n GLN 2 Cb 0.00 0.00 0.75 0.00 0.00 0.00 0.00 30.24 30.99 1aca n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aca h ALA 3 N 0.00 1.00 0.00 2.61 0.00 -2.05 -2.62 119.26 118.20 1aca h ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aca h ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aca h ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1aca n GLU 4 N -2.54 0.77 -0.12 0.00 -0.58 -1.26 -1.33 120.64 115.59 1aca n GLU 4 Ca -0.01 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.52 1aca n GLU 4 Cb 0.09 -1.15 -0.08 0.00 -0.57 0.00 0.00 31.44 29.74 1aca n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1aca n PHE 5 N -0.65 0.21 -0.11 -0.32 -0.00 -0.99 -3.21 117.46 112.39 1aca n PHE 5 Ca 0.06 0.09 -0.05 0.00 -0.00 0.00 0.00 57.45 57.54 1aca n PHE 5 Cb 0.03 -0.86 0.01 0.00 -0.00 0.00 0.00 39.48 38.66 1aca n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1aca h ASP 6 N -1.00 -0.52 0.16 -2.13 5.19 -1.44 0.44 116.42 117.12 1aca h ASP 6 Ca -0.41 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.15 1aca h ASP 6 Cb 1.32 0.30 -0.03 0.00 0.18 0.00 0.00 39.33 41.10 1aca h ASP 6 CO -0.25 -0.18 -0.25 0.50 -3.12 0.00 0.00 179.24 175.94 1aca h LYS 7 N -0.07 -0.45 -0.59 3.56 1.63 -1.40 0.37 116.57 119.62 1aca h LYS 7 Ca 0.19 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.14 1aca h LYS 7 Cb 0.36 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 31.98 1aca h LYS 7 CO -0.44 -0.30 -0.15 0.00 -3.45 0.00 0.00 179.45 175.11 1aca h ALA 8 N 0.25 0.39 -0.91 5.00 0.00 -0.41 0.46 119.26 124.05 1aca h ALA 8 Ca 0.02 0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1aca h ALA 8 Cb 0.48 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1aca h ALA 8 CO -0.11 -0.43 0.58 0.00 0.00 0.00 0.00 179.25 179.29 1aca h ALA 9 N 1.59 1.71 0.69 0.00 0.00 0.10 0.34 119.26 123.69 1aca h ALA 9 Ca 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1aca h ALA 9 Cb 0.43 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1aca h ALA 9 CO -0.61 0.08 -0.33 0.93 0.00 0.00 0.00 179.25 179.32 1aca h GLU 10 N 0.81 -0.89 -0.97 0.00 5.08 0.38 -0.67 114.58 118.33 1aca h GLU 10 Ca 0.44 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.96 1aca h GLU 10 Cb 0.56 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 1aca h GLU 10 CO -0.20 -0.59 -0.56 0.93 -1.00 0.00 0.00 179.01 177.58 1aca h GLU 11 N -1.03 -0.02 -0.13 2.33 4.39 0.32 0.54 114.58 120.98 1aca h GLU 11 Ca -0.09 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1aca h GLU 11 Cb 0.71 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1aca h GLU 11 CO 0.16 -0.01 -0.01 -0.24 -1.16 0.00 0.00 179.01 177.74 1aca h VAL 12 N -0.02 0.90 0.00 3.13 3.04 -0.36 0.38 116.25 123.31 1aca h VAL 12 Ca 0.18 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 1aca h VAL 12 Cb 0.45 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1aca h VAL 12 CO -0.93 0.01 0.00 0.29 -1.01 0.00 0.00 177.57 175.93 1aca n LYS 13 N -5.13 0.12 -0.16 4.17 4.76 0.50 -0.89 118.16 121.54 1aca n LYS 13 Ca -0.04 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.68 1aca n LYS 13 Cb 0.08 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 31.91 1aca n LYS 13 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1aca n HIS 14 N -1.32 0.30 -2.20 2.13 8.25 0.16 -5.02 115.22 117.52 1aca n HIS 14 Ca 0.04 -0.79 -0.38 0.00 -0.26 0.00 0.00 57.72 56.33 1aca n HIS 14 Cb 0.09 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 1aca n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1aca s LEU 15 N -2.20 4.06 0.00 2.41 1.43 0.47 -4.85 118.68 120.00 1aca s LEU 15 Ca 0.26 2.40 0.29 0.00 -1.03 0.00 0.00 54.13 56.06 1aca s LEU 15 Cb 0.21 -4.15 1.34 0.00 0.03 0.00 0.00 46.19 43.62 1aca s LEU 15 CO 0.05 -0.92 1.91 0.29 0.23 0.00 0.00 176.35 177.92 1aca n LYS 16 N -0.33 1.06 -3.35 1.70 4.01 -1.26 -4.67 118.16 115.30 1aca n LYS 16 Ca 0.06 -0.39 -0.18 0.00 -0.51 0.00 0.00 58.31 57.29 1aca n LYS 16 Cb 0.47 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.42 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1aca s THR 17 N -2.21 -0.26 0.00 -0.18 2.01 -1.26 -5.10 115.64 108.64 1aca s THR 17 Ca 0.36 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1aca s THR 17 Cb 0.21 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.99 1aca s THR 17 CO 0.41 -0.66 0.00 2.29 -0.69 0.00 0.00 174.62 175.97 1aca n LYS 18 N 4.06 0.00 -0.42 4.92 2.85 -1.26 -4.85 118.16 123.46 1aca n LYS 18 Ca 0.13 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.10 1aca n LYS 18 Cb 0.45 0.00 0.28 0.00 -0.65 0.00 0.00 35.03 35.10 1aca n LYS 18 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1aca s PRO 19 N 0.00 -2.12 0.33 -1.58 0.02 -1.26 -4.93 135.00 125.46 1aca s PRO 19 Ca 0.00 0.48 -0.29 0.00 0.02 0.00 0.00 61.00 61.21 1aca s PRO 19 Cb 0.00 -1.44 -0.11 0.00 0.02 0.00 0.00 34.50 32.96 1aca s PRO 19 CO 0.00 -4.42 1.54 0.00 -0.33 0.00 0.00 177.00 173.79 1aca n ALA 20 N -5.36 2.43 -0.30 -1.55 0.00 -1.26 -4.73 120.51 109.73 1aca n ALA 20 Ca 0.07 0.36 0.13 0.00 0.00 0.00 0.00 53.44 54.01 1aca n ALA 20 Cb 0.57 -2.44 0.31 0.00 0.00 0.00 0.00 19.45 17.89 1aca n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1aca h ASP 21 N 3.99 0.22 -0.19 0.00 3.32 -1.98 0.45 116.42 122.23 1aca h ASP 21 Ca -0.48 0.17 0.05 0.00 0.02 0.00 0.00 57.03 56.79 1aca h ASP 21 Cb 1.23 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 1aca h ASP 21 CO 0.73 -0.06 0.14 -0.33 -1.72 0.00 0.00 179.24 177.99 1aca h GLU 22 N 0.32 0.00 0.08 3.56 5.08 -1.99 0.53 114.58 122.16 1aca h GLU 22 Ca 0.56 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.63 1aca h GLU 22 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1aca h GLU 22 CO -0.57 0.00 -1.51 0.93 -1.00 0.00 0.00 179.01 176.85 1aca h GLU 23 N 0.00 0.18 0.14 2.33 5.08 -0.56 -3.17 114.58 118.58 1aca h GLU 23 Ca 0.09 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1aca h GLU 23 Cb 0.36 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1aca h GLU 23 CO -0.00 1.00 -0.07 0.52 -1.00 0.00 0.00 179.01 179.46 1aca h MET 24 N 0.05 -0.18 -0.25 2.33 2.86 0.27 -1.65 114.93 118.35 1aca h MET 24 Ca -0.23 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1aca h MET 24 Cb 1.98 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 33.66 1aca h MET 24 CO 0.14 -0.12 -0.15 1.28 1.06 0.00 0.00 176.91 179.12 1aca n LEU 25 N -5.17 -0.27 0.01 1.22 4.77 0.17 -0.05 117.00 117.68 1aca n LEU 25 Ca -0.08 0.87 -0.10 0.00 -0.03 0.00 0.00 56.01 56.67 1aca n LEU 25 Cb 0.10 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1aca n LEU 25 CO 0.34 -0.58 0.79 0.15 -1.33 0.00 0.00 177.39 176.76 1aca h PHE 26 N 0.00 -0.29 0.11 -1.77 3.04 -1.48 -2.43 116.94 114.12 1aca h PHE 26 Ca 0.04 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1aca h PHE 26 Cb 0.10 0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 1aca h PHE 26 CO -0.65 -0.17 -0.51 0.82 -2.02 0.00 0.00 178.31 175.77 1aca h ILE 27 N -0.15 0.00 -0.40 1.41 1.08 0.12 -2.03 117.51 117.55 1aca h ILE 27 Ca 0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 1aca h ILE 27 Cb 0.26 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.92 1aca h ILE 27 CO -0.18 0.00 -0.28 0.22 -0.69 0.00 0.00 178.15 177.22 1aca h TYR 28 N -0.72 -0.74 0.14 1.37 3.20 -0.30 0.13 116.97 120.05 1aca h TYR 28 Ca -0.00 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1aca h TYR 28 Cb 0.73 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 1aca h TYR 28 CO -0.46 -0.35 -0.40 0.66 -1.64 0.00 0.00 178.16 175.98 1aca h SER 29 N -0.21 -1.20 -0.02 -2.11 4.64 -1.08 0.40 113.55 113.98 1aca h SER 29 Ca 0.18 0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1aca h SER 29 Cb 0.50 0.44 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1aca h SER 29 CO -0.52 -0.44 -0.03 0.45 -0.87 0.00 0.00 176.83 175.42 1aca h HIS 30 N -0.61 -0.07 -0.10 4.77 3.86 -1.26 -0.19 115.15 121.56 1aca h HIS 30 Ca -0.01 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1aca h HIS 30 Cb 0.59 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.04 1aca h HIS 30 CO -0.39 -0.05 -0.48 -0.92 0.86 0.00 0.00 177.93 176.96 1aca h TYR 31 N -0.04 -1.43 -0.47 2.45 3.20 -0.51 0.14 116.97 120.30 1aca h TYR 31 Ca 0.02 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.04 1aca h TYR 31 Cb 0.07 0.64 -0.10 0.00 1.54 0.00 0.00 36.73 38.88 1aca h TYR 31 CO -0.11 -0.49 -0.23 0.87 -1.64 0.00 0.00 178.16 176.56 1aca h LYS 32 N -0.53 -0.12 -0.30 1.82 1.79 0.05 0.15 116.57 119.42 1aca h LYS 32 Ca 0.03 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 1aca h LYS 32 Cb 0.61 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1aca h LYS 32 CO -0.38 -0.08 -0.31 0.37 -1.08 0.00 0.00 179.45 177.97 1aca h GLN 33 N -0.13 0.64 -0.34 3.15 -0.00 -0.73 0.85 115.11 118.55 1aca h GLN 33 Ca 0.22 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.55 1aca h GLN 33 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.92 1aca h GLN 33 CO -0.55 0.87 0.09 0.00 0.00 0.00 0.00 178.83 179.24 1aca h ALA 34 N 1.11 1.51 0.00 3.38 0.00 0.60 -3.00 119.26 122.87 1aca h ALA 34 Ca 0.06 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1aca h ALA 34 Cb 0.81 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1aca h ALA 34 CO 0.07 0.37 -2.24 0.25 0.00 0.00 0.00 179.25 177.70 1aca n THR 35 N -4.35 1.23 -0.07 0.00 -2.24 0.39 -4.53 114.28 104.70 1aca n THR 35 Ca 0.02 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 1aca n THR 35 Cb 0.18 -1.50 -0.05 0.00 -2.10 0.00 0.00 70.33 66.87 1aca n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1aca h VAL 36 N -0.36 0.37 0.00 2.28 2.07 0.56 -3.51 116.25 117.67 1aca h VAL 36 Ca -0.52 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1aca h VAL 36 Cb 1.63 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1aca h VAL 36 CO -0.19 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.13 1aca n GLY 37 N 1.61 1.17 3.78 2.17 0.00 -0.74 -5.00 105.19 108.18 1aca n GLY 37 Ca -0.12 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1aca n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aca s ASP 38 N -4.00 7.31 -0.01 1.61 1.11 -1.15 -4.29 116.67 117.25 1aca s ASP 38 Ca 0.00 1.86 -0.21 0.00 0.18 0.00 0.00 52.55 54.38 1aca s ASP 38 Cb 0.00 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 1aca s ASP 38 CO 0.00 -0.09 0.61 -0.51 1.18 0.00 0.00 175.17 176.36 1aca s ILE 39 N -1.60 4.92 -0.07 0.77 2.07 -1.26 -4.90 121.20 121.13 1aca s ILE 39 Ca 0.50 1.27 0.10 0.00 -1.41 0.00 0.00 60.65 61.12 1aca s ILE 39 Cb -0.19 -3.95 0.18 0.00 0.13 0.00 0.00 42.46 38.63 1aca s ILE 39 CO 0.25 0.40 1.09 -0.46 -1.91 0.00 0.00 174.94 174.30 1aca n ASN 40 N 2.85 1.12 -4.47 4.50 0.23 -1.26 -5.07 115.26 113.16 1aca n ASN 40 Ca -0.06 -2.56 -0.23 0.00 -0.53 0.00 0.00 54.58 51.20 1aca n ASN 40 Cb 0.51 -0.32 -0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1aca n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1aca n THR 41 N -0.61 0.00 -3.80 5.53 -2.24 -1.26 -5.17 114.28 106.74 1aca n THR 41 Ca 0.08 -1.90 -0.22 0.00 -2.27 0.00 0.00 64.05 59.73 1aca n THR 41 Cb 0.71 -0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.82 1aca n THR 41 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aca s GLU 42 N -3.96 2.43 -1.00 -0.78 -1.05 -1.26 -5.12 118.70 107.96 1aca s GLU 42 Ca 0.27 -1.62 -0.04 0.00 -0.15 0.00 0.00 54.97 53.43 1aca s GLU 42 Cb -0.02 -2.24 0.28 0.00 -0.44 0.00 0.00 34.13 31.70 1aca s GLU 42 CO 0.17 -0.13 1.17 -2.13 0.95 0.00 0.00 175.26 175.28 1aca n ARG 43 N -1.41 3.65 -0.09 -4.83 0.63 -1.26 -4.80 116.66 108.55 1aca n ARG 43 Ca 0.01 -4.53 0.00 0.00 -0.92 0.00 0.00 57.85 52.41 1aca n ARG 43 Cb 0.62 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 31.06 1aca n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1aca n PRO 44 N 1.80 0.43 0.00 -0.14 -0.02 -1.26 -4.80 135.00 131.00 1aca n PRO 44 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1aca n PRO 44 Cb 0.36 -0.12 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 1aca n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aca n GLY 45 N 0.36 1.05 0.00 -1.23 0.00 -1.26 -4.78 105.19 99.32 1aca n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1aca n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1aca n MET 46 N 0.00 0.00 0.01 1.61 0.00 -1.26 -4.50 117.12 112.97 1aca n MET 46 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 57.70 57.88 1aca n MET 46 Cb 0.00 -0.50 0.55 0.00 0.00 0.00 0.00 33.22 33.27 1aca n MET 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1aca n LEU 47 N -2.30 0.04 0.00 3.17 7.99 -1.26 -3.04 117.00 121.60 1aca n LEU 47 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 1aca n LEU 47 Cb 0.00 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 42.82 1aca n LEU 47 CO 0.00 -0.06 0.08 0.47 -1.51 0.00 0.00 177.39 176.37 1aca n ASP 48 N -1.54 0.00 0.27 -1.43 9.92 -1.26 -1.90 116.55 120.61 1aca n ASP 48 Ca 0.06 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.47 1aca n ASP 48 Cb 0.31 0.00 0.78 0.00 -0.64 0.00 0.00 41.12 41.57 1aca n ASP 48 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1aca h PHE 49 N 0.00 0.00 0.00 1.24 -5.15 -1.78 0.66 116.94 111.90 1aca h PHE 49 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1aca h PHE 49 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1aca h PHE 49 CO 0.00 0.09 0.00 1.63 -2.00 0.00 0.00 178.31 178.03 1aca n LYS 50 N -3.47 0.19 -0.03 6.09 5.02 -0.80 0.88 118.16 126.05 1aca n LYS 50 Ca -0.01 0.14 -0.07 0.00 -2.02 0.00 0.00 58.31 56.35 1aca n LYS 50 Cb 0.23 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1aca n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aca n GLY 51 N -0.40 -0.15 0.13 0.72 0.00 0.18 -4.78 105.19 100.90 1aca n GLY 51 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1aca n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aca h LYS 52 N -0.29 -0.28 -0.13 1.61 1.57 0.44 -3.04 116.57 116.45 1aca h LYS 52 Ca -0.14 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1aca h LYS 52 Cb 0.91 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1aca h LYS 52 CO -0.09 -0.19 -0.08 0.00 -0.57 0.00 0.00 179.45 178.53 1aca n ALA 53 N -2.45 -0.08 0.08 3.86 0.00 0.25 0.22 120.51 122.39 1aca n ALA 53 Ca -0.04 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1aca n ALA 53 Cb 0.11 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 1aca n ALA 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1aca h LYS 54 N 0.00 -0.15 0.01 0.00 2.10 -1.72 0.29 116.57 117.10 1aca h LYS 54 Ca 0.02 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1aca h LYS 54 Cb 0.05 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1aca h LYS 54 CO -0.12 -0.10 -0.04 2.35 -2.00 0.00 0.00 179.45 179.54 1aca h TRP 55 N -0.16 -0.12 -0.63 0.07 7.01 0.28 0.15 115.95 122.55 1aca h TRP 55 Ca 0.01 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.07 1aca h TRP 55 Cb 0.16 0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.20 1aca h TRP 55 CO -0.11 -0.05 -0.37 -0.25 -2.79 0.00 0.00 178.44 174.87 1aca n ASP 56 N -2.67 -0.66 -0.17 2.65 8.00 0.22 0.13 116.55 124.05 1aca n ASP 56 Ca -0.01 1.46 -0.01 0.00 0.71 0.00 0.00 54.79 56.94 1aca n ASP 56 Cb 0.03 -0.32 0.07 0.00 -0.02 0.00 0.00 41.12 40.88 1aca n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aca h ALA 57 N -0.03 0.50 -0.20 2.24 0.00 -0.30 -2.77 119.26 118.70 1aca h ALA 57 Ca 0.10 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1aca h ALA 57 Cb 0.26 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1aca h ALA 57 CO -0.59 -0.39 -0.15 2.35 0.00 0.00 0.00 179.25 180.47 1aca h TRP 58 N 0.11 0.54 -0.39 0.00 7.01 0.71 -3.13 115.95 120.79 1aca h TRP 58 Ca 0.27 -0.15 0.11 0.00 2.11 0.00 0.00 58.89 61.24 1aca h TRP 58 Cb 0.42 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1aca h TRP 58 CO -0.34 0.78 0.55 -0.97 -2.79 0.00 0.00 178.44 175.68 1aca h ASN 59 N 0.14 0.00 1.00 2.65 -1.24 -0.02 0.35 115.58 118.46 1aca h ASN 59 Ca 0.04 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 1aca h ASN 59 Cb 0.67 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 1aca h ASN 59 CO 0.04 0.00 -0.29 -0.33 -1.29 0.00 0.00 177.43 175.56 1aca h GLU 60 N 0.00 0.00 0.00 6.67 5.08 -1.47 -3.13 114.58 121.73 1aca h GLU 60 Ca 0.19 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.33 1aca h GLU 60 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1aca h GLU 60 CO -0.00 0.29 -2.03 1.28 -1.00 0.00 0.00 179.01 177.55 1aca n LEU 61 N -3.40 0.23 0.00 1.33 4.77 0.11 -4.79 117.00 115.25 1aca n LEU 61 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1aca n LEU 61 Cb 0.49 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1aca n LEU 61 CO 0.35 0.27 0.00 1.17 -1.33 0.00 0.00 177.39 177.85 1aca n LYS 62 N -2.65 0.00 -1.28 3.23 4.81 -0.26 0.14 118.16 122.15 1aca n LYS 62 Ca -0.19 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.00 1aca n LYS 62 Cb 0.91 0.00 0.13 0.00 0.02 0.00 0.00 35.03 36.09 1aca n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aca n GLY 63 N -0.60 5.28 4.00 3.14 0.00 -1.26 -2.91 105.19 112.83 1aca n GLY 63 Ca 0.00 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 1aca n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aca s THR 64 N -4.00 2.81 -0.23 2.61 2.01 0.38 -5.07 115.64 114.16 1aca s THR 64 Ca 0.57 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 61.54 1aca s THR 64 Cb 0.47 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1aca s THR 64 CO 0.04 0.00 0.38 -0.44 -0.69 0.00 0.00 174.62 173.91 1aca s SER 65 N -4.41 6.35 0.15 3.53 0.01 -1.26 -4.88 113.70 113.19 1aca s SER 65 Ca 0.57 0.41 -0.06 0.00 1.31 0.00 0.00 55.95 58.17 1aca s SER 65 Cb -0.10 -2.22 0.21 0.00 0.21 0.00 0.00 66.02 64.13 1aca s SER 65 CO 0.35 -0.12 0.86 0.29 0.41 0.00 0.00 173.24 175.04 1aca n LYS 66 N 4.82 -0.08 -0.15 12.44 5.02 -1.25 -0.88 118.16 138.07 1aca n LYS 66 Ca -0.09 0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 56.97 1aca n LYS 66 Cb 0.51 -1.28 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 1aca n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1aca h GLU 67 N 0.00 0.72 -0.65 1.97 3.07 -1.85 0.12 114.58 117.95 1aca h GLU 67 Ca 0.24 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1aca h GLU 67 Cb 0.38 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1aca h GLU 67 CO -0.56 0.76 0.42 -0.44 -1.40 0.00 0.00 179.01 177.78 1aca h ASP 68 N 0.57 0.76 -0.20 1.42 5.19 -1.42 -1.04 116.42 121.70 1aca h ASP 68 Ca 0.13 -0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.54 1aca h ASP 68 Cb 0.40 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.68 1aca h ASP 68 CO 0.01 0.57 -0.04 0.00 -3.12 0.00 0.00 179.24 176.66 1aca h ALA 69 N 1.23 0.14 -0.45 3.45 0.00 -0.90 -2.28 119.26 120.44 1aca h ALA 69 Ca 0.24 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.31 1aca h ALA 69 Cb -0.08 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 1aca h ALA 69 CO -0.05 -0.47 -0.28 0.52 0.00 0.00 0.00 179.25 178.97 1aca h MET 70 N 0.01 -0.18 -0.19 0.00 2.86 0.46 -1.08 114.93 116.80 1aca h MET 70 Ca 0.10 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1aca h MET 70 Cb 0.15 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1aca h MET 70 CO -0.20 -0.12 -0.11 1.17 1.06 0.00 0.00 176.91 178.70 1aca n LYS 71 N -5.41 -0.09 0.12 1.72 0.00 -0.63 0.30 118.16 114.17 1aca n LYS 71 Ca 0.02 0.49 -0.20 0.00 0.00 0.00 0.00 58.31 58.63 1aca n LYS 71 Cb 0.33 -0.73 -0.15 0.00 0.00 0.00 0.00 35.03 34.48 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aca h ALA 72 N -0.10 -0.02 -0.98 3.14 0.00 -1.61 -3.12 119.26 116.57 1aca h ALA 72 Ca 0.03 -0.88 0.10 0.00 0.00 0.00 0.00 54.91 54.17 1aca h ALA 72 Cb 0.08 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 1aca h ALA 72 CO -0.18 0.85 -0.54 -0.92 0.00 0.00 0.00 179.25 178.46 1aca h TYR 73 N 0.11 -1.69 0.03 0.00 3.20 0.12 0.27 116.97 119.00 1aca h TYR 73 Ca -0.19 0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.81 1aca h TYR 73 Cb 2.06 0.87 -0.02 0.00 1.54 0.00 0.00 36.73 41.18 1aca h TYR 73 CO 0.09 -0.38 -0.20 0.82 -1.64 0.00 0.00 178.16 176.85 1aca h ILE 74 N -0.01 0.00 -0.96 1.81 2.04 -0.85 0.24 117.51 119.77 1aca h ILE 74 Ca 0.20 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.36 1aca h ILE 74 Cb 0.46 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.37 1aca h ILE 74 CO -0.94 0.00 0.26 0.44 0.00 0.00 0.00 178.15 177.91 1aca h ASP 75 N -0.27 -0.07 -0.11 1.72 5.19 -1.14 0.56 116.42 122.30 1aca h ASP 75 Ca 0.00 0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1aca h ASP 75 Cb 0.28 0.34 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 1aca h ASP 75 CO -0.12 -0.30 -0.03 0.50 -3.12 0.00 0.00 179.24 176.16 1aca h LYS 76 N 0.09 0.22 -0.46 3.56 1.63 0.54 0.52 116.57 122.66 1aca h LYS 76 Ca 0.66 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 60.41 1aca h LYS 76 Cb 1.49 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 33.06 1aca h LYS 76 CO -0.79 0.54 0.22 0.28 -3.45 0.00 0.00 179.45 176.25 1aca h VAL 77 N -0.12 0.95 -0.64 2.00 2.07 0.27 0.11 116.25 120.89 1aca h VAL 77 Ca 0.03 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.52 1aca h VAL 77 Cb 0.46 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1aca h VAL 77 CO 0.01 0.08 0.14 -0.08 0.02 0.00 0.00 177.57 177.75 1aca h GLU 78 N 0.44 0.26 0.20 1.57 4.22 0.57 0.34 114.58 122.17 1aca h GLU 78 Ca 0.20 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.64 1aca h GLU 78 Cb 0.12 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1aca h GLU 78 CO -0.15 0.17 -0.32 0.93 -2.18 0.00 0.00 179.01 177.46 1aca h GLU 79 N 0.27 -0.58 -0.43 1.92 5.08 0.24 -2.54 114.58 118.53 1aca h GLU 79 Ca 0.34 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.83 1aca h GLU 79 Cb 0.53 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 1aca h GLU 79 CO -0.43 -0.38 -0.25 -0.07 -1.00 0.00 0.00 179.01 176.88 1aca h LEU 80 N -0.60 -0.85 -1.37 1.33 3.38 0.11 0.33 115.31 117.65 1aca h LEU 80 Ca 0.01 0.18 0.36 0.00 0.09 0.00 0.00 57.88 58.52 1aca h LEU 80 Cb 0.59 0.43 -0.12 0.00 0.09 0.00 0.00 40.66 41.66 1aca h LEU 80 CO -0.14 -0.27 0.76 0.50 0.09 0.00 0.00 178.44 179.38 1aca h LYS 81 N -0.17 0.21 0.01 1.13 3.64 -0.17 0.27 116.57 121.50 1aca h LYS 81 Ca 0.20 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.29 1aca h LYS 81 Cb 0.49 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1aca h LYS 81 CO -0.53 0.14 -1.52 1.63 -2.27 0.00 0.00 179.45 176.90 1aca n LYS 82 N -4.69 0.58 -0.31 1.90 5.02 -0.28 -0.02 118.16 120.37 1aca n LYS 82 Ca 0.32 0.51 0.03 0.00 -2.02 0.00 0.00 58.31 57.15 1aca n LYS 82 Cb 1.18 -1.70 0.11 0.00 -0.02 0.00 0.00 35.03 34.59 1aca n LYS 82 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1aca h LYS 83 N -0.92 -0.00 0.04 1.97 1.57 0.76 -2.31 116.57 117.67 1aca h LYS 83 Ca -0.41 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.07 1aca h LYS 83 Cb 1.40 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 1aca h LYS 83 CO -0.23 -0.00 -1.61 0.66 -0.57 0.00 0.00 179.45 177.70 1aca n TYR 84 N -5.55 1.01 0.00 -1.35 4.01 0.83 -5.06 117.16 111.04 1aca n TYR 84 Ca 0.13 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 1aca n TYR 84 Cb 0.44 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 1aca n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aca n GLY 85 N 1.62 0.82 0.00 2.72 0.00 0.97 -4.97 105.19 106.34 1aca n GLY 85 Ca -0.34 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61