#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 0.00 1.43 0.00 -1.26 -4.97 117.38 112.58 1aca n GLN 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1aca n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1aca n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aca n ALA 3 N -0.51 0.85 0.17 2.61 0.00 -1.26 -1.72 120.51 120.64 1aca n ALA 3 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1aca n ALA 3 Cb 0.00 -0.57 0.29 0.00 0.00 0.00 0.00 19.45 19.17 1aca n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1aca h GLU 4 N 0.00 0.00 -0.02 0.00 4.39 -1.98 0.66 114.58 117.63 1aca h GLU 4 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1aca h GLU 4 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1aca h GLU 4 CO 0.00 0.47 -0.04 0.35 -1.16 0.00 0.00 179.01 178.62 1aca h PHE 5 N 0.00 0.07 -0.21 4.33 3.04 -1.72 0.58 116.94 123.03 1aca h PHE 5 Ca -0.00 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.97 1aca h PHE 5 Cb 0.90 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 39.34 1aca h PHE 5 CO 0.00 0.65 -0.16 -0.44 -2.02 0.00 0.00 178.31 176.35 1aca h ASP 6 N -0.53 -0.50 0.04 0.41 5.19 -1.67 0.45 116.42 119.81 1aca h ASP 6 Ca -0.00 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1aca h ASP 6 Cb 0.65 0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.37 1aca h ASP 6 CO 0.01 -0.20 -0.52 0.50 -3.12 0.00 0.00 179.24 175.92 1aca h LYS 7 N -0.15 -0.66 -0.33 3.56 3.64 -0.86 0.17 116.57 121.94 1aca h LYS 7 Ca 0.12 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1aca h LYS 7 Cb 0.34 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.23 1aca h LYS 7 CO -0.31 -0.44 -0.35 0.00 -2.27 0.00 0.00 179.45 176.07 1aca h ALA 8 N -0.39 -0.30 -0.89 5.00 0.00 0.49 0.22 119.26 123.39 1aca h ALA 8 Ca 0.01 0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.18 1aca h ALA 8 Cb 0.73 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1aca h ALA 8 CO -0.33 -0.78 0.43 0.00 0.00 0.00 0.00 179.25 178.57 1aca h ALA 9 N 0.57 1.40 0.06 0.00 0.00 0.11 0.43 119.26 121.84 1aca h ALA 9 Ca 0.14 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1aca h ALA 9 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1aca h ALA 9 CO -0.50 -0.22 -0.03 0.93 0.00 0.00 0.00 179.25 179.43 1aca h GLU 10 N 0.52 -0.08 -0.53 0.00 4.39 0.70 -1.09 114.58 118.48 1aca h GLU 10 Ca 0.53 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.29 1aca h GLU 10 Cb 0.90 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.48 1aca h GLU 10 CO -0.45 0.41 -0.49 0.93 -1.16 0.00 0.00 179.01 178.25 1aca h GLU 11 N -0.62 -0.21 -0.59 2.33 4.39 0.11 0.18 114.58 120.16 1aca h GLU 11 Ca -0.01 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.80 1aca h GLU 11 Cb 0.53 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 1aca h GLU 11 CO 0.01 -0.14 0.21 -0.24 -1.16 0.00 0.00 179.01 177.69 1aca h VAL 12 N -0.22 0.76 0.00 3.13 3.04 -0.23 0.54 116.25 123.27 1aca h VAL 12 Ca 0.09 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1aca h VAL 12 Cb 0.46 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 1aca h VAL 12 CO -0.62 0.07 0.05 0.29 -1.01 0.00 0.00 177.57 176.35 1aca n LYS 13 N -5.01 0.10 -0.33 4.17 4.76 -0.03 -0.57 118.16 121.25 1aca n LYS 13 Ca 0.08 0.59 0.08 0.00 -2.87 0.00 0.00 58.31 56.20 1aca n LYS 13 Cb 0.27 -1.90 0.25 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.07 0.83 -2.04 2.13 8.25 0.19 -4.87 115.22 117.63 1aca n HIS 14 Ca -0.01 -0.56 -0.27 0.00 -0.26 0.00 0.00 57.72 56.62 1aca n HIS 14 Cb 0.08 -0.09 -0.06 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 -1.35 3.05 0.00 2.41 1.43 0.27 -4.73 118.68 119.76 1aca s LEU 15 Ca 0.37 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1aca s LEU 15 Cb 0.22 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1aca s LEU 15 CO 0.21 -3.08 0.00 1.17 0.23 0.00 0.00 176.35 174.88 1aca n LYS 16 N 8.40 0.00 -3.96 1.70 3.00 -1.26 -2.71 118.16 123.33 1aca n LYS 16 Ca 0.44 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.42 1aca n LYS 16 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.35 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1aca s THR 17 N -3.27 2.54 -0.36 3.15 2.01 -1.26 -5.06 115.64 113.38 1aca s THR 17 Ca 0.00 -2.28 -0.33 0.00 0.31 0.00 0.00 61.69 59.39 1aca s THR 17 Cb 0.00 -2.84 -0.14 0.00 0.01 0.00 0.00 72.50 69.53 1aca s THR 17 CO 0.00 -0.62 1.46 2.29 -0.69 0.00 0.00 174.62 177.06 1aca n LYS 18 N 4.33 0.00 -0.56 4.92 2.85 -1.10 -4.80 118.16 123.80 1aca n LYS 18 Ca 0.02 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.98 1aca n LYS 18 Cb 0.42 -1.09 0.22 0.00 -0.65 0.00 0.00 35.03 33.93 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1aca n PRO 19 N 4.84 -2.15 -1.70 -1.58 -0.02 -1.26 -4.79 135.00 128.33 1aca n PRO 19 Ca 0.36 -0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 60.81 1aca n PRO 19 Cb -0.03 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1aca n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aca n ALA 20 N -4.76 2.40 -0.30 3.55 0.00 -1.26 -4.69 120.51 115.45 1aca n ALA 20 Ca 0.02 0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.86 1aca n ALA 20 Cb 0.58 -2.52 0.10 0.00 0.00 0.00 0.00 19.45 17.60 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 7.24 -0.87 -1.16 0.00 3.32 -1.98 0.97 116.42 123.93 1aca h ASP 21 Ca -0.44 0.26 0.34 0.00 0.02 0.00 0.00 57.03 57.20 1aca h ASP 21 Cb 1.22 0.55 -0.11 0.00 0.22 0.00 0.00 39.33 41.21 1aca h ASP 21 CO 0.95 -0.28 0.75 -0.33 -1.72 0.00 0.00 179.24 178.60 1aca h GLU 22 N -0.01 0.24 0.08 3.56 5.08 -1.98 0.75 114.58 122.30 1aca h GLU 22 Ca 0.39 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.49 1aca h GLU 22 Cb 0.62 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1aca h GLU 22 CO -0.88 0.16 -1.14 0.93 -1.00 0.00 0.00 179.01 177.08 1aca h GLU 23 N 0.25 0.22 0.03 2.33 5.08 0.59 -3.11 114.58 119.97 1aca h GLU 23 Ca 0.69 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1aca h GLU 23 Cb 1.98 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1aca h GLU 23 CO -0.34 1.15 -0.01 0.52 -1.00 0.00 0.00 179.01 179.33 1aca h MET 24 N 0.07 -0.04 -0.35 2.33 2.86 0.14 -1.76 114.93 118.19 1aca h MET 24 Ca -0.10 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1aca h MET 24 Cb 1.87 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.49 1aca h MET 24 CO 0.18 0.07 -0.21 1.28 1.06 0.00 0.00 176.91 179.30 1aca n LEU 25 N -5.06 -0.37 0.25 1.22 4.77 0.20 -0.04 117.00 117.97 1aca n LEU 25 Ca -0.08 0.95 -0.16 0.00 -0.03 0.00 0.00 56.01 56.70 1aca n LEU 25 Cb 0.09 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1aca n LEU 25 CO 0.33 -0.67 0.70 0.15 -1.33 0.00 0.00 177.39 176.57 1aca h PHE 26 N 0.00 -0.66 -0.70 -1.77 3.04 -1.45 -3.04 116.94 112.36 1aca h PHE 26 Ca 0.06 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.08 1aca h PHE 26 Cb 0.14 0.24 -0.11 0.00 2.56 0.00 0.00 35.95 38.78 1aca h PHE 26 CO -0.67 -0.39 -0.51 0.82 -2.02 0.00 0.00 178.31 175.53 1aca h ILE 27 N -0.64 0.03 -0.24 1.41 1.08 0.00 -2.58 117.51 116.58 1aca h ILE 27 Ca -0.05 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1aca h ILE 27 Cb 0.52 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1aca h ILE 27 CO 0.05 0.00 -0.21 0.22 -0.69 0.00 0.00 178.15 177.51 1aca h TYR 28 N -0.19 -0.66 -0.93 1.37 3.20 -0.36 0.11 116.97 119.52 1aca h TYR 28 Ca 0.16 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.18 1aca h TYR 28 Cb 0.53 0.32 -0.13 0.00 1.54 0.00 0.00 36.73 38.99 1aca h TYR 28 CO -0.83 -0.16 -0.47 -1.13 -1.64 0.00 0.00 178.16 173.93 1aca n SER 29 N -3.75 -0.82 0.07 -2.11 3.41 -0.98 -0.25 113.62 109.19 1aca n SER 29 Ca -0.00 1.64 -0.13 0.00 -0.26 0.00 0.00 58.87 60.11 1aca n SER 29 Cb 0.11 -0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.70 1aca n SER 29 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1aca h HIS 30 N 0.00 -0.16 -0.27 7.33 3.86 -1.37 0.23 115.15 124.77 1aca h HIS 30 Ca 0.22 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 1aca h HIS 30 Cb 0.45 0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.90 1aca h HIS 30 CO -0.90 0.16 -0.36 -0.92 0.86 0.00 0.00 177.93 176.77 1aca h TYR 31 N -0.50 -1.01 -0.19 2.45 3.20 0.26 0.29 116.97 121.48 1aca h TYR 31 Ca -0.02 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1aca h TYR 31 Cb 0.40 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 1aca h TYR 31 CO 0.03 -0.41 0.07 0.87 -1.64 0.00 0.00 178.16 177.08 1aca h LYS 32 N -0.35 0.16 -0.30 1.82 1.79 -0.64 0.81 116.57 119.85 1aca h LYS 32 Ca 0.13 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1aca h LYS 32 Cb 0.56 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1aca h LYS 32 CO -0.46 0.11 0.10 0.37 -1.08 0.00 0.00 179.45 178.48 1aca h GLN 33 N 0.16 0.46 -0.32 3.15 -0.00 0.02 0.97 115.11 119.56 1aca h GLN 33 Ca 0.08 -0.10 0.04 0.00 -0.00 0.00 0.00 58.65 58.67 1aca h GLN 33 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.42 1aca h GLN 33 CO -0.08 0.51 0.10 0.00 0.00 0.00 0.00 178.83 179.36 1aca h ALA 34 N 0.93 0.36 0.00 3.38 0.00 -0.08 -1.89 119.26 121.96 1aca h ALA 34 Ca 0.10 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1aca h ALA 34 Cb 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1aca h ALA 34 CO -0.00 -0.30 -0.72 1.79 0.00 0.00 0.00 179.25 180.01 1aca h THR 35 N 0.23 1.16 0.00 0.00 1.35 -0.79 -3.41 112.91 111.45 1aca h THR 35 Ca 0.15 -2.14 -0.00 0.00 -0.55 0.00 0.00 66.41 63.86 1aca h THR 35 Cb 0.13 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1aca h THR 35 CO -0.16 0.39 -0.00 0.58 -0.25 0.00 0.00 175.52 176.08 1aca h VAL 36 N -1.00 0.00 0.00 6.82 2.07 0.86 -3.51 116.25 121.50 1aca h VAL 36 Ca -0.19 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1aca h VAL 36 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1aca h VAL 36 CO -0.12 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.08 1aca n GLY 37 N 1.89 0.25 3.69 2.17 0.00 -0.71 -4.98 105.19 107.51 1aca n GLY 37 Ca -0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 3.26 -0.17 1.61 1.11 -1.26 -4.31 116.67 112.92 1aca s ASP 38 Ca 0.00 1.99 -0.07 0.00 0.18 0.00 0.00 52.55 54.64 1aca s ASP 38 Cb 0.00 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1aca s ASP 38 CO 0.00 -2.85 0.09 -0.51 1.18 0.00 0.00 175.17 173.08 1aca s ILE 39 N -2.73 5.04 -0.28 0.77 2.07 -1.26 -4.97 121.20 119.84 1aca s ILE 39 Ca 0.65 0.05 0.19 0.00 -1.41 0.00 0.00 60.65 60.13 1aca s ILE 39 Cb -0.21 -3.25 0.49 0.00 0.13 0.00 0.00 42.46 39.62 1aca s ILE 39 CO 0.58 0.50 1.10 -0.46 -1.91 0.00 0.00 174.94 174.75 1aca n ASN 40 N 3.10 2.18 -4.34 4.50 0.23 -1.26 -5.06 115.26 114.61 1aca n ASN 40 Ca -0.17 -2.45 -0.28 0.00 -0.53 0.00 0.00 54.58 51.14 1aca n ASN 40 Cb 0.53 -0.46 -0.08 0.00 -2.08 0.00 0.00 39.78 37.68 1aca n ASN 40 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1aca s THR 41 N -3.89 0.80 0.45 5.53 -4.23 -1.26 -5.18 115.64 107.86 1aca s THR 41 Ca 0.31 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1aca s THR 41 Cb 0.36 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 1aca s THR 41 CO -0.02 0.00 0.33 -1.61 -0.54 0.00 0.00 174.62 172.78 1aca s GLU 42 N -3.76 2.37 -0.61 3.99 2.02 -1.26 -5.12 118.70 116.32 1aca s GLU 42 Ca 0.17 -1.76 -0.16 0.00 0.02 0.00 0.00 54.97 53.24 1aca s GLU 42 Cb 0.02 -2.19 0.14 0.00 0.10 0.00 0.00 34.13 32.20 1aca s GLU 42 CO 0.11 -0.30 0.61 0.50 0.02 0.00 0.00 175.26 176.20 1aca s ARG 43 N -4.12 3.12 0.88 1.61 3.52 -1.26 -4.80 118.95 117.91 1aca s ARG 43 Ca 0.42 -1.74 -0.16 0.00 -0.13 0.00 0.00 55.73 54.13 1aca s ARG 43 Cb -0.01 -4.33 -0.07 0.00 -1.56 0.00 0.00 34.95 28.98 1aca s ARG 43 CO 0.25 -1.39 -0.10 -2.30 -0.81 0.00 0.00 175.30 170.95 1aca n PRO 44 N 5.34 -0.04 0.03 5.12 -0.02 -1.26 -4.88 135.00 139.28 1aca n PRO 44 Ca -0.07 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1aca n PRO 44 Cb 0.42 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 2.41 0.01 0.34 -1.23 0.00 -1.26 -4.40 105.19 101.06 1aca n GLY 45 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1aca n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aca h MET 46 N 0.00 0.01 -0.86 1.61 -0.00 -2.05 0.16 114.93 113.80 1aca h MET 46 Ca 0.00 -0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 59.12 1aca h MET 46 Cb 0.00 -0.00 -0.40 0.00 -0.00 0.00 0.00 31.60 31.20 1aca h MET 46 CO 0.00 0.01 -0.46 1.28 -0.00 0.00 0.00 176.91 177.74 1aca n LEU 47 N -5.51 5.50 0.00 -0.10 7.99 -1.26 -4.97 117.00 118.64 1aca n LEU 47 Ca 0.21 -4.69 0.00 0.00 -0.01 0.00 0.00 56.01 51.52 1aca n LEU 47 Cb 0.68 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1aca n LEU 47 CO -0.07 1.99 0.00 -0.67 -1.51 0.00 0.00 177.39 177.12 1aca n ASP 48 N -0.74 0.00 -0.47 -1.43 -0.08 0.57 0.31 116.55 114.72 1aca n ASP 48 Ca 0.48 0.00 0.39 0.00 -1.51 0.00 0.00 54.79 54.15 1aca n ASP 48 Cb 0.88 0.00 0.67 0.00 2.34 0.00 0.00 41.12 45.01 1aca n ASP 48 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1aca h PHE 49 N 0.00 0.50 0.00 -0.67 -5.15 -1.90 0.26 116.94 109.98 1aca h PHE 49 Ca 0.00 0.02 -0.05 0.00 -0.20 0.00 0.00 57.97 57.74 1aca h PHE 49 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 35.95 36.04 1aca h PHE 49 CO 0.00 -0.24 -0.42 -0.22 -2.00 0.00 0.00 178.31 175.43 1aca h LYS 50 N 0.05 0.00 -0.03 6.09 3.64 -0.56 -2.92 116.57 122.84 1aca h LYS 50 Ca 0.85 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 60.24 1aca h LYS 50 Cb 2.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.55 1aca h LYS 50 CO -0.43 0.42 -0.01 0.78 -2.27 0.00 0.00 179.45 177.93 1aca h GLY 51 N -1.00 0.01 0.85 5.01 0.00 -0.37 -0.30 103.07 107.28 1aca h GLY 51 Ca -0.08 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1aca h GLY 51 CO -0.05 -0.02 -0.41 0.50 0.00 0.00 0.00 176.54 176.57 1aca h LYS 52 N -0.01 -1.10 -0.49 4.80 1.57 -0.71 -1.03 116.57 119.59 1aca h LYS 52 Ca 0.02 0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1aca h LYS 52 Cb 0.04 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1aca h LYS 52 CO -0.04 -0.73 -0.29 0.00 -0.57 0.00 0.00 179.45 177.82 1aca n ALA 53 N -2.65 -0.31 0.21 3.86 0.00 -1.06 0.12 120.51 120.68 1aca n ALA 53 Ca -0.14 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 1aca n ALA 53 Cb 0.45 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.72 0.00 0.00 -0.00 -0.90 0.27 116.57 115.22 1aca h LYS 54 Ca 0.08 0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.78 1aca h LYS 54 Cb 0.20 0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.60 1aca h LYS 54 CO -0.46 -0.48 0.00 1.87 -0.00 0.00 0.00 179.45 180.38 1aca n TRP 55 N -5.47 0.00 -0.05 0.07 -0.00 0.28 -1.53 117.44 110.74 1aca n TRP 55 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.39 1aca n TRP 55 Cb 0.38 -0.41 -0.01 0.00 -0.00 0.00 0.00 31.31 31.27 1aca n TRP 55 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1aca n ASP 56 N -2.07 -0.12 -0.38 5.87 8.00 0.32 0.69 116.55 128.86 1aca n ASP 56 Ca 0.00 0.95 -0.00 0.00 0.71 0.00 0.00 54.79 56.44 1aca n ASP 56 Cb 0.00 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.75 1aca n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aca n ALA 57 N -2.92 -0.09 0.14 2.24 0.00 0.96 -0.87 120.51 119.95 1aca n ALA 57 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.35 1aca n ALA 57 Cb 0.03 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 1aca n ALA 57 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1aca h TRP 58 N 0.00 -0.38 -0.97 0.00 7.01 -0.13 -3.22 115.95 118.25 1aca h TRP 58 Ca 0.36 -0.01 0.39 0.00 2.11 0.00 0.00 58.89 61.73 1aca h TRP 58 Cb 0.61 0.13 -0.15 0.00 -2.10 0.00 0.00 29.16 27.65 1aca h TRP 58 CO -0.87 -0.08 0.56 -1.71 -2.79 0.00 0.00 178.44 173.55 1aca n ASN 59 N -5.06 0.28 -0.28 2.65 5.15 0.22 0.25 115.26 118.47 1aca n ASN 59 Ca -0.08 1.41 0.20 0.00 -0.60 0.00 0.00 54.58 55.51 1aca n ASN 59 Cb 0.25 -0.69 0.50 0.00 -0.53 0.00 0.00 39.78 39.31 1aca n ASN 59 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1aca h GLU 60 N 0.00 0.42 0.00 1.20 4.57 -1.01 -2.13 114.58 117.62 1aca h GLU 60 Ca 0.76 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.69 1aca h GLU 60 Cb 2.13 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 30.58 1aca h GLU 60 CO -0.61 0.28 -1.33 -0.07 -1.18 0.00 0.00 179.01 176.09 1aca h LEU 61 N 0.43 0.00 -3.37 1.64 3.38 -0.36 -3.49 115.31 113.54 1aca h LEU 61 Ca 0.51 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.16 1aca h LEU 61 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1aca h LEU 61 CO -0.22 0.88 0.44 1.17 0.09 0.00 0.00 178.44 180.80 1aca n LYS 62 N -3.13 0.00 0.00 1.13 4.81 -0.80 -0.87 118.16 119.30 1aca n LYS 62 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1aca n LYS 62 Cb 0.95 -0.61 0.00 0.00 0.02 0.00 0.00 35.03 35.40 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 2.52 0.89 3.91 3.14 0.00 -1.26 -4.97 105.19 109.42 1aca n GLY 63 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 2.46 -0.10 2.61 2.01 -0.05 -5.00 115.64 115.57 1aca s THR 64 Ca 0.00 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.85 1aca s THR 64 Cb 0.00 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1aca s THR 64 CO 0.00 -0.14 0.35 -0.94 -0.69 0.00 0.00 174.62 173.20 1aca s SER 65 N -4.50 6.59 0.38 3.53 1.04 -1.26 -4.65 113.70 114.83 1aca s SER 65 Ca 0.60 0.70 0.21 0.00 0.48 0.00 0.00 55.95 57.94 1aca s SER 65 Cb -0.11 -2.21 1.25 0.00 0.10 0.00 0.00 66.02 65.04 1aca s SER 65 CO 0.48 0.17 1.64 0.11 0.98 0.00 0.00 173.24 176.62 1aca h LYS 66 N 5.97 0.18 0.34 4.02 1.57 -1.80 -1.80 116.57 125.06 1aca h LYS 66 Ca -0.45 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1aca h LYS 66 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1aca h LYS 66 CO 0.70 0.12 -0.16 0.93 -0.57 0.00 0.00 179.45 180.47 1aca h GLU 67 N 0.19 -0.44 -0.91 3.15 3.07 -1.90 -0.83 114.58 116.92 1aca h GLU 67 Ca 0.78 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.76 1aca h GLU 67 Cb 2.05 0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 29.99 1aca h GLU 67 CO -0.57 -0.14 0.55 -0.44 -1.40 0.00 0.00 179.01 177.02 1aca h ASP 68 N -0.98 0.83 0.05 1.42 3.32 -1.83 0.49 116.42 119.71 1aca h ASP 68 Ca -0.05 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.07 1aca h ASP 68 Cb 0.51 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1aca h ASP 68 CO 0.08 0.48 -0.41 0.00 -1.72 0.00 0.00 179.24 177.66 1aca h ALA 69 N 1.47 -0.69 -0.63 3.45 0.00 -1.34 -2.32 119.26 119.21 1aca h ALA 69 Ca 0.43 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.40 1aca h ALA 69 Cb 0.35 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1aca h ALA 69 CO -0.23 -0.96 -0.28 0.52 0.00 0.00 0.00 179.25 178.30 1aca h MET 70 N -0.60 -0.10 -0.71 0.00 2.86 0.59 0.18 114.93 117.15 1aca h MET 70 Ca 0.04 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.78 1aca h MET 70 Cb 0.66 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.24 1aca h MET 70 CO -0.28 -0.07 -0.32 0.36 1.06 0.00 0.00 176.91 177.66 1aca n LYS 71 N -5.45 -0.21 0.00 1.72 -0.00 -0.81 -0.46 118.16 112.95 1aca n LYS 71 Ca 0.06 1.08 -0.20 0.00 -0.00 0.00 0.00 58.31 59.25 1aca n LYS 71 Cb 0.36 -1.60 -0.14 0.00 -0.00 0.00 0.00 35.03 33.65 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 0.77 0.06 -0.95 0.58 0.00 -1.44 -3.17 119.26 115.12 1aca h ALA 72 Ca 0.20 -0.88 0.09 0.00 0.00 0.00 0.00 54.91 54.32 1aca h ALA 72 Cb 0.38 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 1aca h ALA 72 CO -0.69 0.55 -0.58 -0.92 0.00 0.00 0.00 179.25 177.60 1aca h TYR 73 N -0.48 -1.86 0.02 0.00 3.20 0.16 -0.20 116.97 117.81 1aca h TYR 73 Ca -0.21 0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1aca h TYR 73 Cb 1.58 0.94 -0.00 0.00 1.54 0.00 0.00 36.73 40.78 1aca h TYR 73 CO 0.17 -0.38 -0.06 0.82 -1.64 0.00 0.00 178.16 177.07 1aca h ILE 74 N -0.03 0.00 -0.74 1.81 2.04 -0.92 0.19 117.51 119.86 1aca h ILE 74 Ca 0.16 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.21 1aca h ILE 74 Cb 0.43 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.37 1aca h ILE 74 CO -0.91 0.00 -0.01 0.47 0.00 0.00 0.00 178.15 177.70 1aca n ASP 75 N -2.73 -0.11 -0.17 1.72 8.00 -0.80 0.18 116.55 122.65 1aca n ASP 75 Ca -0.01 1.25 -0.11 0.00 0.71 0.00 0.00 54.79 56.63 1aca n ASP 75 Cb 0.05 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1aca n ASP 75 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1aca h LYS 76 N 0.00 0.96 -0.45 -1.24 1.63 -0.10 0.19 116.57 117.55 1aca h LYS 76 Ca 0.43 -0.38 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1aca h LYS 76 Cb 0.87 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1aca h LYS 76 CO -0.70 1.05 0.08 0.28 -3.45 0.00 0.00 179.45 176.71 1aca h VAL 77 N 0.81 1.24 -0.42 2.00 2.07 0.50 -0.87 116.25 121.59 1aca h VAL 77 Ca 0.12 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1aca h VAL 77 Cb 0.71 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 1aca h VAL 77 CO 0.05 0.31 -0.08 -0.33 0.02 0.00 0.00 177.57 177.55 1aca h GLU 78 N 0.61 0.03 -0.01 1.57 3.07 0.57 0.42 114.58 120.84 1aca h GLU 78 Ca 0.14 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1aca h GLU 78 Cb 0.37 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 1aca h GLU 78 CO 0.01 0.02 -0.44 0.93 -1.40 0.00 0.00 179.01 178.12 1aca h GLU 79 N 0.03 -0.53 -0.44 2.33 5.08 0.07 -2.76 114.58 118.35 1aca h GLU 79 Ca 0.21 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1aca h GLU 79 Cb 0.31 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1aca h GLU 79 CO -0.41 -0.36 -0.46 -0.07 -1.00 0.00 0.00 179.01 176.71 1aca h LEU 80 N -0.55 -1.54 -0.76 1.33 3.38 0.31 0.19 115.31 117.67 1aca h LEU 80 Ca 0.01 0.23 0.24 0.00 0.09 0.00 0.00 57.88 58.45 1aca h LEU 80 Cb 0.60 0.66 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1aca h LEU 80 CO -0.30 -0.37 0.13 1.17 0.09 0.00 0.00 178.44 179.16 1aca n LYS 81 N -5.41 -0.06 -0.00 1.13 4.81 0.13 0.08 118.16 118.85 1aca n LYS 81 Ca -0.01 1.12 -0.18 0.00 -0.87 0.00 0.00 58.31 58.37 1aca n LYS 81 Cb 0.35 -1.84 -0.14 0.00 0.02 0.00 0.00 35.03 33.42 1aca n LYS 81 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1aca h LYS 82 N 0.00 0.18 0.09 1.64 1.57 -0.95 0.31 116.57 119.41 1aca h LYS 82 Ca 0.52 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1aca h LYS 82 Cb 1.18 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1aca h LYS 82 CO -0.68 1.15 -0.20 0.87 -0.57 0.00 0.00 179.45 180.02 1aca h LYS 83 N -0.62 -0.36 0.07 3.15 1.57 0.26 -3.30 116.57 117.34 1aca h LYS 83 Ca -0.10 0.02 -0.38 0.00 -1.87 0.00 0.00 60.65 58.33 1aca h LYS 83 Cb 1.40 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.75 1aca h LYS 83 CO 0.08 -0.24 -2.20 0.66 -0.57 0.00 0.00 179.45 177.19 1aca n TYR 84 N -5.33 0.71 0.00 -1.35 4.01 0.11 -5.07 117.16 110.24 1aca n TYR 84 Ca -0.06 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1aca n TYR 84 Cb 0.24 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.18 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 2.08 0.61 0.00 2.72 0.00 0.97 -4.92 105.19 106.65 1aca n GLY 85 Ca -0.38 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83