#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aca h GLN 2 N 0.00 -0.01 0.00 -1.46 5.75 -2.06 -3.26 115.11 114.07 1aca h GLN 2 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1aca h GLN 2 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1aca h GLN 2 CO 0.00 0.22 0.00 0.00 -2.65 0.00 0.00 178.83 176.40 1aca n ALA 3 N -2.22 0.00 0.27 3.38 0.00 -1.26 -1.59 120.51 119.10 1aca n ALA 3 Ca -0.08 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.54 1aca n ALA 3 Cb 0.14 0.00 0.97 0.00 0.00 0.00 0.00 19.45 20.55 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 0.00 0.00 3.07 -1.97 0.44 114.58 116.12 1aca h GLU 4 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1aca h GLU 4 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1aca h GLU 4 CO 0.00 0.00 -0.29 0.35 -1.40 0.00 0.00 179.01 177.67 1aca h PHE 5 N 0.00 0.00 -0.59 4.33 3.04 -1.61 0.09 116.94 122.20 1aca h PHE 5 Ca 0.00 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 1aca h PHE 5 Cb 0.01 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 38.40 1aca h PHE 5 CO 0.00 0.25 -0.22 -0.44 -2.02 0.00 0.00 178.31 175.88 1aca h ASP 6 N -1.00 -0.78 -0.11 0.41 3.32 -1.66 0.34 116.42 116.94 1aca h ASP 6 Ca -0.03 0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1aca h ASP 6 Cb 0.41 0.45 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1aca h ASP 6 CO -0.02 -0.25 -0.23 0.50 -1.72 0.00 0.00 179.24 177.52 1aca h LYS 7 N -0.07 -0.20 -0.73 3.56 1.63 -0.25 0.12 116.57 120.62 1aca h LYS 7 Ca 0.27 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.23 1aca h LYS 7 Cb 0.50 0.05 -0.14 0.00 -0.60 0.00 0.00 32.23 32.03 1aca h LYS 7 CO -0.64 -0.13 -0.20 0.00 -3.45 0.00 0.00 179.45 175.03 1aca h ALA 8 N -0.86 0.45 0.00 5.00 0.00 0.14 0.40 119.26 124.39 1aca h ALA 8 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1aca h ALA 8 Cb 0.27 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1aca h ALA 8 CO -0.22 -0.43 0.15 0.00 0.00 0.00 0.00 179.25 178.75 1aca h ALA 9 N 1.69 1.15 0.00 0.00 0.00 0.21 0.63 119.26 122.93 1aca h ALA 9 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 1aca h ALA 9 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1aca h ALA 9 CO -0.76 -0.15 -1.07 0.39 0.00 0.00 0.00 179.25 177.65 1aca n GLU 10 N -2.98 0.52 0.16 0.00 1.02 0.10 -3.74 120.64 115.73 1aca n GLU 10 Ca -0.03 0.52 -0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1aca n GLU 10 Cb 0.21 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 1aca n GLU 10 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1aca h GLU 11 N -1.00 -0.54 -0.97 3.49 5.08 0.52 -2.74 114.58 118.42 1aca h GLU 11 Ca -0.23 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.43 1aca h GLU 11 Cb 1.02 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 1aca h GLU 11 CO -0.14 -0.36 0.52 -0.24 -1.00 0.00 0.00 179.01 177.78 1aca h VAL 12 N -0.56 0.44 0.00 3.13 3.04 -0.01 0.31 116.25 122.60 1aca h VAL 12 Ca -0.04 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1aca h VAL 12 Cb 0.49 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 1aca h VAL 12 CO -0.04 0.08 0.07 0.29 -1.01 0.00 0.00 177.57 176.96 1aca n LYS 13 N -4.99 0.02 0.00 4.17 5.02 -1.03 -0.52 118.16 120.83 1aca n LYS 13 Ca 0.27 0.47 0.10 0.00 -2.02 0.00 0.00 58.31 57.13 1aca n LYS 13 Cb 0.79 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 34.07 1aca n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1aca n HIS 14 N -1.58 0.00 -1.35 2.13 8.25 0.11 -4.92 115.22 117.85 1aca n HIS 14 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1aca n HIS 14 Cb 0.07 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.04 1aca n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1aca n LEU 15 N -1.50 -0.90 0.28 2.41 4.77 0.32 -4.19 117.00 118.20 1aca n LEU 15 Ca 0.04 -1.16 0.02 0.00 -0.03 0.00 0.00 56.01 54.87 1aca n LEU 15 Cb 0.33 -0.84 0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1aca n LEU 15 CO 0.42 -1.90 0.94 0.11 -1.33 0.00 0.00 177.39 175.63 1aca h LYS 16 N 10.66 0.00 -2.76 3.23 1.57 -1.04 -3.21 116.57 125.02 1aca h LYS 16 Ca 0.02 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.19 1aca h LYS 16 Cb 1.06 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.96 1aca h LYS 16 CO 1.27 0.00 -0.71 2.41 -0.57 0.00 0.00 179.45 181.85 1aca n THR 17 N -2.32 0.80 0.00 -0.16 -1.04 -1.25 -5.04 114.28 105.26 1aca n THR 17 Ca -0.00 -4.46 0.00 0.00 -2.04 0.00 0.00 64.05 57.55 1aca n THR 17 Cb 0.86 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1aca n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1aca n LYS 18 N 2.09 0.00 -0.66 -2.82 0.00 -1.21 -4.76 118.16 110.80 1aca n LYS 18 Ca 0.24 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.23 1aca n LYS 18 Cb 0.40 0.00 0.18 0.00 -0.00 0.00 0.00 35.03 35.61 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1aca n PRO 19 N 0.00 -1.52 -1.69 -1.58 -0.02 -1.26 -4.87 135.00 124.06 1aca n PRO 19 Ca 0.00 -0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 60.64 1aca n PRO 19 Cb 0.00 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 -4.38 2.16 -0.55 3.55 0.00 -1.26 -4.72 120.51 115.31 1aca n ALA 20 Ca 0.02 0.30 0.44 0.00 0.00 0.00 0.00 53.44 54.21 1aca n ALA 20 Cb 0.60 -2.60 0.73 0.00 0.00 0.00 0.00 19.45 18.17 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 8.74 0.14 -0.18 0.00 5.19 -1.98 0.55 116.42 128.88 1aca h ASP 21 Ca -0.47 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 55.99 1aca h ASP 21 Cb 1.22 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.84 1aca h ASP 21 CO 0.95 -0.18 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.42 1aca h GLU 22 N 0.00 0.42 0.00 3.56 3.07 -1.99 0.54 114.58 120.19 1aca h GLU 22 Ca 0.90 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 59.52 1aca h GLU 22 Cb 3.13 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 31.03 1aca h GLU 22 CO -0.33 0.75 -0.15 0.93 -1.40 0.00 0.00 179.01 178.82 1aca h GLU 23 N 0.09 0.00 0.35 2.33 5.08 -0.33 -1.27 114.58 120.82 1aca h GLU 23 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1aca h GLU 23 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1aca h GLU 23 CO 0.04 0.15 -0.17 0.52 -1.00 0.00 0.00 179.01 178.55 1aca h MET 24 N 0.00 -0.45 -0.61 2.33 2.86 -0.73 -1.64 114.93 116.69 1aca h MET 24 Ca -0.00 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1aca h MET 24 Cb 0.31 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 31.98 1aca h MET 24 CO 0.02 -0.27 -0.25 1.28 1.06 0.00 0.00 176.91 178.75 1aca n LEU 25 N -5.09 -0.42 0.17 1.22 4.77 0.19 0.85 117.00 118.68 1aca n LEU 25 Ca -0.06 1.07 -0.08 0.00 -0.03 0.00 0.00 56.01 56.91 1aca n LEU 25 Cb 0.20 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1aca n LEU 25 CO 0.16 -0.96 0.51 0.15 -1.33 0.00 0.00 177.39 175.92 1aca h PHE 26 N 0.00 -0.59 -0.29 -1.77 3.04 -1.20 0.85 116.94 116.98 1aca h PHE 26 Ca 0.20 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.18 1aca h PHE 26 Cb 0.36 0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.04 1aca h PHE 26 CO -0.55 -0.31 -0.32 0.82 -2.02 0.00 0.00 178.31 175.93 1aca h ILE 27 N -0.50 0.00 -0.18 1.41 1.08 0.12 -0.04 117.51 119.40 1aca h ILE 27 Ca -0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1aca h ILE 27 Cb 0.41 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.10 1aca h ILE 27 CO 0.02 0.00 -0.44 0.22 -0.69 0.00 0.00 178.15 177.26 1aca h TYR 28 N -0.19 -1.32 -0.61 1.37 5.03 0.48 0.28 116.97 122.01 1aca h TYR 28 Ca 0.05 0.05 0.12 0.00 2.58 0.00 0.00 58.73 61.53 1aca h TYR 28 Cb 0.32 0.60 -0.12 0.00 1.55 0.00 0.00 36.73 39.08 1aca h TYR 28 CO -0.73 -0.42 -0.25 0.66 -1.32 0.00 0.00 178.16 176.10 1aca h SER 29 N -0.42 -0.89 -0.14 -2.11 4.64 -0.36 0.22 113.55 114.48 1aca h SER 29 Ca 0.04 0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1aca h SER 29 Cb 0.52 0.49 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1aca h SER 29 CO -0.39 -0.27 0.03 0.45 -0.87 0.00 0.00 176.83 175.78 1aca h HIS 30 N -0.09 0.24 -0.07 4.77 3.86 -0.68 0.43 115.15 123.61 1aca h HIS 30 Ca 0.27 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.47 1aca h HIS 30 Cb 0.52 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1aca h HIS 30 CO -0.58 0.39 -0.03 -0.92 0.86 0.00 0.00 177.93 177.65 1aca h TYR 31 N 0.03 -0.06 0.33 2.45 3.20 0.37 0.18 116.97 123.46 1aca h TYR 31 Ca 0.04 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1aca h TYR 31 Cb 0.27 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1aca h TYR 31 CO 0.01 -0.04 -0.16 0.87 -1.64 0.00 0.00 178.16 177.19 1aca h LYS 32 N -0.01 -0.43 -0.09 1.82 1.79 -0.57 0.42 116.57 119.49 1aca h LYS 32 Ca 0.04 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1aca h LYS 32 Cb 0.07 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1aca h LYS 32 CO -0.08 -0.29 -0.02 0.37 -1.08 0.00 0.00 179.45 178.35 1aca h GLN 33 N -0.45 0.00 -0.62 3.15 -0.00 -0.69 0.61 115.11 117.11 1aca h GLN 33 Ca -0.04 -0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.70 1aca h GLN 33 Cb 0.35 -0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.75 1aca h GLN 33 CO 0.07 0.00 0.23 0.00 0.00 0.00 0.00 178.83 179.13 1aca h ALA 34 N 1.09 0.80 0.06 3.38 0.00 -0.38 -0.24 119.26 123.97 1aca h ALA 34 Ca 0.04 0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1aca h ALA 34 Cb 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1aca h ALA 34 CO -0.09 -0.20 -1.26 1.79 0.00 0.00 0.00 179.25 179.49 1aca h THR 35 N 0.40 1.03 0.00 0.00 1.35 -0.80 -3.44 112.91 111.46 1aca h THR 35 Ca 0.31 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1aca h THR 35 Cb 0.40 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1aca h THR 35 CO -0.32 0.56 -0.19 0.58 -0.25 0.00 0.00 175.52 175.90 1aca h VAL 36 N -0.61 0.00 0.00 6.82 2.07 0.18 -3.51 116.25 121.21 1aca h VAL 36 Ca -0.30 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1aca h VAL 36 Cb 1.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1aca h VAL 36 CO -0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.15 1aca n GLY 37 N 1.73 1.48 3.86 2.17 0.00 -0.10 -5.00 105.19 109.32 1aca n GLY 37 Ca -0.03 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 6.73 -0.28 1.61 1.11 -1.26 -4.24 116.67 116.34 1aca s ASP 38 Ca 0.00 1.04 -0.27 0.00 0.18 0.00 0.00 52.55 53.50 1aca s ASP 38 Cb 0.00 -2.28 0.01 0.00 1.07 0.00 0.00 42.92 41.72 1aca s ASP 38 CO 0.00 -0.03 0.97 -0.51 1.18 0.00 0.00 175.17 176.78 1aca s ILE 39 N -1.71 4.66 -0.23 0.77 2.07 -1.26 -4.83 121.20 120.67 1aca s ILE 39 Ca 0.45 1.68 0.16 0.00 -1.41 0.00 0.00 60.65 61.53 1aca s ILE 39 Cb -0.12 -4.29 0.47 0.00 0.13 0.00 0.00 42.46 38.64 1aca s ILE 39 CO 0.20 -0.29 1.17 -0.46 -1.91 0.00 0.00 174.94 173.64 1aca n ASN 40 N 6.46 2.75 -3.89 4.50 0.23 -1.26 -5.06 115.26 119.00 1aca n ASN 40 Ca 0.09 -2.96 -0.24 0.00 -0.53 0.00 0.00 54.58 50.94 1aca n ASN 40 Cb 0.47 -0.41 -0.06 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.57 0.00 -3.72 5.53 -2.24 -1.26 -5.17 114.28 106.85 1aca n THR 41 Ca 0.22 -1.96 -0.23 0.00 -2.27 0.00 0.00 64.05 59.81 1aca n THR 41 Cb 0.90 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 1aca n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aca s GLU 42 N -3.41 2.39 -1.10 -0.78 2.02 -1.26 -5.09 118.70 111.47 1aca s GLU 42 Ca 0.07 -1.75 -0.08 0.00 0.02 0.00 0.00 54.97 53.24 1aca s GLU 42 Cb 0.00 -2.24 0.28 0.00 0.10 0.00 0.00 34.13 32.27 1aca s GLU 42 CO 0.05 -0.36 1.13 -2.13 0.02 0.00 0.00 175.26 173.97 1aca n ARG 43 N -1.62 3.57 0.00 1.61 0.63 -1.26 -4.83 116.66 114.76 1aca n ARG 43 Ca 0.02 -4.47 0.00 0.00 -0.92 0.00 0.00 57.85 52.48 1aca n ARG 43 Cb 0.63 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 31.01 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 2.49 0.00 0.00 -0.14 -0.02 -1.26 -4.79 135.00 131.27 1aca n PRO 44 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1aca n PRO 44 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 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 0.00 0.56 0.00 -1.23 0.00 -1.26 -4.68 105.19 98.58 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 0.00 1.61 0.00 -1.26 0.20 117.12 117.67 1aca n MET 46 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.73 1aca n MET 46 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 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 -1.86 0.59 0.00 3.17 7.99 -1.26 -5.00 117.00 120.62 1aca n LEU 47 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 56.01 55.37 1aca n LEU 47 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1aca n LEU 47 CO 0.00 0.13 0.00 0.47 -1.51 0.00 0.00 177.39 176.48 1aca n ASP 48 N -0.74 0.00 -0.08 -1.43 9.92 0.13 -4.12 116.55 120.23 1aca n ASP 48 Ca 0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.15 1aca n ASP 48 Cb 0.10 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 1aca n ASP 48 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1aca n PHE 49 N 0.00 0.00 0.00 1.24 -1.74 -1.26 -4.66 117.46 111.04 1aca n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1aca n PHE 49 Cb 0.00 -0.56 0.00 0.00 1.52 0.00 0.00 39.48 40.44 1aca n PHE 49 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1aca n LYS 50 N -4.24 0.00 -0.34 3.97 4.81 -1.26 0.40 118.16 121.51 1aca n LYS 50 Ca -0.23 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1aca n LYS 50 Cb 0.56 -0.67 0.05 0.00 0.02 0.00 0.00 35.03 35.00 1aca n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aca n GLY 51 N -0.90 -1.77 0.31 3.14 0.00 -1.26 -0.57 105.19 104.14 1aca n GLY 51 Ca 0.00 0.99 -0.11 0.00 0.00 0.00 0.00 46.02 46.89 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 0.00 -0.72 -0.35 1.61 6.56 -0.93 -1.87 116.57 120.86 1aca h LYS 52 Ca 0.33 0.05 0.03 0.00 -1.06 0.00 0.00 60.65 60.01 1aca h LYS 52 Cb 0.56 0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 32.34 1aca h LYS 52 CO -0.89 -0.48 -0.21 0.00 -2.06 0.00 0.00 179.45 175.81 1aca n ALA 53 N -2.56 -0.23 0.09 3.86 0.00 0.16 0.98 120.51 122.82 1aca n ALA 53 Ca -0.09 0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 1aca n ALA 53 Cb 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 1aca n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aca h LYS 54 N 0.00 -0.43 -0.34 0.00 1.57 -0.80 0.22 116.57 116.79 1aca h LYS 54 Ca 0.06 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1aca h LYS 54 Cb 0.14 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1aca h LYS 54 CO -0.33 -0.29 -0.49 2.35 -0.57 0.00 0.00 179.45 180.13 1aca h TRP 55 N -0.44 -1.49 -0.23 -1.35 7.01 0.15 0.25 115.95 119.85 1aca h TRP 55 Ca -0.01 0.07 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1aca h TRP 55 Cb 0.43 0.69 -0.04 0.00 -2.10 0.00 0.00 29.16 28.14 1aca h TRP 55 CO -0.32 -0.43 -0.29 -0.44 -2.79 0.00 0.00 178.44 174.17 1aca h ASP 56 N -0.36 -0.99 -0.99 2.65 3.32 -0.02 0.50 116.42 120.54 1aca h ASP 56 Ca 0.06 0.13 0.17 0.00 0.02 0.00 0.00 57.03 57.41 1aca h ASP 56 Cb 0.52 0.40 -0.10 0.00 0.22 0.00 0.00 39.33 40.38 1aca h ASP 56 CO -0.51 -0.21 0.62 0.00 -1.72 0.00 0.00 179.24 177.42 1aca h ALA 57 N -0.63 1.67 0.03 3.45 0.00 -0.08 -2.42 119.26 121.28 1aca h ALA 57 Ca 0.04 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1aca h ALA 57 Cb 0.31 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1aca h ALA 57 CO -0.32 0.01 -0.78 2.35 0.00 0.00 0.00 179.25 180.51 1aca h TRP 58 N 0.81 0.73 0.00 0.00 7.01 0.63 -3.17 115.95 121.97 1aca h TRP 58 Ca 0.54 -0.42 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1aca h TRP 58 Cb 0.78 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.76 1aca h TRP 58 CO -0.00 1.25 0.28 -0.97 -2.79 0.00 0.00 178.44 176.20 1aca h ASN 59 N 0.01 0.00 -0.00 2.65 -1.24 0.45 0.23 115.58 117.68 1aca h ASN 59 Ca -0.10 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.74 1aca h ASN 59 Cb 1.49 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.53 1aca h ASN 59 CO 0.15 0.00 -0.54 -0.33 -1.29 0.00 0.00 177.43 175.42 1aca h GLU 60 N 0.00 0.58 0.04 6.67 5.08 -1.46 -3.24 114.58 122.26 1aca h GLU 60 Ca 0.00 -0.37 -0.23 0.00 -1.00 0.00 0.00 59.36 57.77 1aca h GLU 60 Cb 0.55 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1aca h GLU 60 CO 0.00 0.98 -1.06 -0.07 -1.00 0.00 0.00 179.01 177.86 1aca h LEU 61 N 0.45 0.19 -4.81 1.33 3.38 -0.69 -3.48 115.31 111.68 1aca h LEU 61 Ca 0.01 -0.19 -0.40 0.00 0.09 0.00 0.00 57.88 57.39 1aca h LEU 61 Cb 1.09 -0.06 0.04 0.00 0.09 0.00 0.00 40.66 41.82 1aca h LEU 61 CO 0.10 1.12 -0.06 1.17 0.09 0.00 0.00 178.44 180.86 1aca n LYS 62 N -3.47 0.00 -0.39 1.13 4.81 -0.96 -1.03 118.16 118.26 1aca n LYS 62 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1aca n LYS 62 Cb 0.94 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 35.27 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 0.88 0.79 3.95 3.14 0.00 -1.26 -5.07 105.19 107.62 1aca n GLY 63 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.09 5.21 -0.34 2.61 2.01 -0.20 -5.04 115.64 117.80 1aca s THR 64 Ca 0.00 -0.66 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 1aca s THR 64 Cb 0.00 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1aca s THR 64 CO 0.00 -0.33 0.65 -0.94 -0.69 0.00 0.00 174.62 173.31 1aca s SER 65 N -3.72 6.46 0.11 3.53 1.04 -1.26 -4.90 113.70 114.96 1aca s SER 65 Ca 0.37 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.98 1aca s SER 65 Cb -0.10 -2.33 0.14 0.00 0.10 0.00 0.00 66.02 63.83 1aca s SER 65 CO 0.31 -0.57 0.72 0.29 0.98 0.00 0.00 173.24 174.97 1aca n LYS 66 N 6.03 -0.09 -0.27 4.02 5.02 -1.26 -0.58 118.16 131.02 1aca n LYS 66 Ca -0.01 0.72 0.09 0.00 -2.02 0.00 0.00 58.31 57.09 1aca n LYS 66 Cb 0.49 -1.07 0.23 0.00 -0.02 0.00 0.00 35.03 34.66 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 0.26 -0.71 1.97 3.07 -1.91 0.13 114.58 117.38 1aca h GLU 67 Ca 0.18 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1aca h GLU 67 Cb 0.29 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1aca h GLU 67 CO -0.47 0.17 0.20 -0.44 -1.40 0.00 0.00 179.01 177.08 1aca h ASP 68 N 0.26 1.04 0.27 1.42 3.32 -1.25 -0.05 116.42 121.43 1aca h ASP 68 Ca 0.48 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1aca h ASP 68 Cb 0.89 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1aca h ASP 68 CO -0.57 0.98 -0.13 0.00 -1.72 0.00 0.00 179.24 177.80 1aca h ALA 69 N 1.16 -0.36 -0.44 3.45 0.00 -0.85 -2.92 119.26 119.30 1aca h ALA 69 Ca 0.23 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1aca h ALA 69 Cb 0.32 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1aca h ALA 69 CO -0.00 -0.69 -0.47 0.52 0.00 0.00 0.00 179.25 178.61 1aca h MET 70 N -0.38 -0.31 -0.32 0.00 2.86 -0.31 0.24 114.93 116.70 1aca h MET 70 Ca -0.04 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1aca h MET 70 Cb 0.29 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 1aca h MET 70 CO 0.06 -0.21 -0.10 1.63 1.06 0.00 0.00 176.91 179.35 1aca n LYS 71 N -5.40 -0.05 -0.10 1.72 5.02 -0.10 -0.65 118.16 118.60 1aca n LYS 71 Ca -0.01 0.50 -0.23 0.00 -2.02 0.00 0.00 58.31 56.55 1aca n LYS 71 Cb 0.35 -0.74 -0.12 0.00 -0.02 0.00 0.00 35.03 34.50 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aca n ALA 72 N -3.86 1.13 -0.27 7.82 0.00 -0.88 -4.02 120.51 120.44 1aca n ALA 72 Ca 0.04 -0.88 -0.06 0.00 0.00 0.00 0.00 53.44 52.54 1aca n ALA 72 Cb 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 1aca n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1aca n TYR 73 N -3.82 -0.23 0.02 0.00 9.36 0.79 -0.09 117.16 123.19 1aca n TYR 73 Ca -0.43 0.82 -0.06 0.00 3.32 0.00 0.00 57.90 61.55 1aca n TYR 73 Cb 0.92 -0.59 -0.04 0.00 -0.63 0.00 0.00 39.34 39.00 1aca n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1aca h ILE 74 N 0.00 0.00 -0.98 2.97 2.04 -1.39 0.45 117.51 120.59 1aca h ILE 74 Ca 0.13 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.20 1aca h ILE 74 Cb 0.29 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.26 1aca h ILE 74 CO -0.62 0.00 0.57 -0.78 0.00 0.00 0.00 178.15 177.32 1aca h ASP 75 N -0.24 0.67 -0.48 1.72 3.58 -0.89 0.26 116.42 121.05 1aca h ASP 75 Ca 0.00 0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1aca h ASP 75 Cb 0.26 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1aca h ASP 75 CO -0.13 0.17 0.15 0.50 -2.88 0.00 0.00 179.24 177.04 1aca h LYS 76 N 0.64 0.75 -0.12 0.28 1.63 0.45 0.30 116.57 120.50 1aca h LYS 76 Ca 0.60 -0.16 0.01 0.00 -0.85 0.00 0.00 60.65 60.24 1aca h LYS 76 Cb 1.04 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 1aca h LYS 76 CO -0.44 0.71 0.06 0.28 -3.45 0.00 0.00 179.45 176.61 1aca h VAL 77 N 0.64 1.01 -0.65 2.00 2.07 0.19 0.81 116.25 122.32 1aca h VAL 77 Ca 0.15 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.76 1aca h VAL 77 Cb 0.28 0.86 -0.12 0.00 -1.52 0.00 0.00 31.29 30.78 1aca h VAL 77 CO -0.00 0.02 -0.21 -0.33 0.02 0.00 0.00 177.57 177.07 1aca h GLU 78 N 0.13 -0.04 0.53 1.57 4.39 0.73 0.26 114.58 122.14 1aca h GLU 78 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1aca h GLU 78 Cb 0.00 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1aca h GLU 78 CO -0.03 -0.03 -0.49 0.93 -1.16 0.00 0.00 179.01 178.24 1aca h GLU 79 N -0.04 -0.97 -0.79 2.33 5.08 0.12 -3.04 114.58 117.26 1aca h GLU 79 Ca 0.30 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.86 1aca h GLU 79 Cb 0.51 0.22 -0.14 0.00 0.50 0.00 0.00 28.75 29.84 1aca h GLU 79 CO -0.69 -0.65 -0.37 -0.07 -1.00 0.00 0.00 179.01 176.23 1aca h LEU 80 N -1.01 -1.33 -0.94 1.33 3.38 0.80 -0.46 115.31 117.09 1aca h LEU 80 Ca -0.07 0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.32 1aca h LEU 80 Cb 0.86 0.68 -0.15 0.00 0.09 0.00 0.00 40.66 42.13 1aca h LEU 80 CO -0.04 -0.30 -0.35 1.17 0.09 0.00 0.00 178.44 179.01 1aca n LYS 81 N -5.45 -0.21 0.22 1.13 4.81 0.73 0.30 118.16 119.70 1aca n LYS 81 Ca 0.07 1.45 -0.15 0.00 -0.87 0.00 0.00 58.31 58.81 1aca n LYS 81 Cb 0.38 -2.15 -0.08 0.00 0.02 0.00 0.00 35.03 33.19 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 -0.50 0.39 1.64 1.57 -1.05 0.23 116.57 118.86 1aca h LYS 82 Ca 0.34 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1aca h LYS 82 Cb 0.57 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1aca h LYS 82 CO -0.94 -0.30 -0.30 0.87 -0.57 0.00 0.00 179.45 178.22 1aca h LYS 83 N -0.57 -0.66 0.00 3.15 1.57 0.01 -3.39 116.57 116.69 1aca h LYS 83 Ca -0.05 0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1aca h LYS 83 Cb 0.43 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1aca h LYS 83 CO 0.09 -0.44 -2.21 0.66 -0.57 0.00 0.00 179.45 176.98 1aca n TYR 84 N -5.42 0.00 0.00 -1.35 4.01 0.15 -5.04 117.16 109.50 1aca n TYR 84 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1aca n TYR 84 Cb 0.32 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 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 2.46 0.79 0.00 2.72 0.00 0.82 -3.94 105.19 108.05 1aca n GLY 85 Ca -0.37 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.18 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61