#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 0.05 -0.13 4.33 10.64 -1.26 -5.03 117.38 125.98 1aca n GLN 2 Ca 0.00 -0.34 0.00 0.00 -1.83 0.00 0.00 57.00 54.83 1aca n GLN 2 Cb 0.00 0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.39 1aca n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aca n ALA 3 N -0.31 0.00 -0.09 2.61 0.00 -1.26 -3.98 120.51 117.48 1aca n ALA 3 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1aca n ALA 3 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1aca n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aca n GLU 4 N -0.02 0.42 -0.11 0.00 4.71 -1.26 -3.79 120.64 120.59 1aca n GLU 4 Ca 0.00 0.12 -0.22 0.00 -0.01 0.00 0.00 57.16 57.05 1aca n GLU 4 Cb 0.00 -1.29 -0.10 0.00 -1.01 0.00 0.00 31.44 29.03 1aca n GLU 4 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1aca n PHE 5 N -3.25 0.78 -0.08 -0.32 -0.00 -1.26 -2.87 117.46 110.47 1aca n PHE 5 Ca -0.32 0.34 -0.08 0.00 -0.00 0.00 0.00 57.45 57.38 1aca n PHE 5 Cb 0.81 -1.04 -0.02 0.00 -0.00 0.00 0.00 39.48 39.23 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 -1.02 -0.40 -2.13 5.19 -1.84 0.37 116.42 115.60 1aca h ASP 6 Ca -0.39 0.17 0.08 0.00 -0.62 0.00 0.00 57.03 56.28 1aca h ASP 6 Cb 1.30 0.47 -0.09 0.00 0.18 0.00 0.00 39.33 41.19 1aca h ASP 6 CO -0.24 -0.32 -0.19 0.50 -3.12 0.00 0.00 179.24 175.87 1aca h LYS 7 N -0.28 -0.11 -0.40 3.56 3.64 -1.74 0.18 116.57 121.41 1aca h LYS 7 Ca 0.15 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1aca h LYS 7 Cb 0.53 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1aca h LYS 7 CO -0.47 -0.07 0.18 0.00 -2.27 0.00 0.00 179.45 176.81 1aca h ALA 8 N 1.16 0.49 0.00 5.00 0.00 -0.59 0.29 119.26 125.62 1aca h ALA 8 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1aca h ALA 8 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1aca h ALA 8 CO -0.47 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.58 1aca n ALA 9 N -2.31 1.87 -0.06 0.00 0.00 0.10 -0.03 120.51 120.08 1aca n ALA 9 Ca 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 1aca n ALA 9 Cb 0.12 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1aca n ALA 9 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1aca n GLU 10 N -0.84 0.41 -0.31 0.00 0.28 0.20 -4.03 120.64 116.36 1aca n GLU 10 Ca 0.05 0.16 -0.12 0.00 -0.16 0.00 0.00 57.16 57.10 1aca n GLU 10 Cb 0.02 -1.22 -0.09 0.00 1.43 0.00 0.00 31.44 31.58 1aca n GLU 10 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1aca h GLU 11 N -0.78 -0.15 0.18 3.44 5.08 0.53 0.72 114.58 123.60 1aca h GLU 11 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1aca h GLU 11 Cb 0.78 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1aca h GLU 11 CO 0.00 -0.10 -0.33 -0.24 -1.00 0.00 0.00 179.01 177.34 1aca h VAL 12 N -0.16 0.30 0.00 3.13 3.04 -0.69 0.65 116.25 122.52 1aca h VAL 12 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1aca h VAL 12 Cb 0.49 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 1aca h VAL 12 CO -0.81 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.04 1aca n LYS 13 N -5.43 0.20 0.00 4.17 5.02 -0.41 -0.65 118.16 121.06 1aca n LYS 13 Ca -0.07 0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.33 1aca n LYS 13 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.05 0.00 -1.58 2.13 8.25 0.21 -4.89 115.22 118.29 1aca n HIS 14 Ca 0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.08 1aca n HIS 14 Cb 0.03 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.52 2.98 -0.18 2.41 4.77 0.18 -4.29 117.00 122.35 1aca n LEU 15 Ca 0.05 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1aca n LEU 15 Cb 0.29 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1aca n LEU 15 CO 0.22 -0.85 0.17 0.29 -1.33 0.00 0.00 177.39 175.90 1aca n LYS 16 N 8.76 0.42 -3.46 3.23 5.02 -0.65 -4.44 118.16 127.04 1aca n LYS 16 Ca 0.32 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 1aca n LYS 16 Cb 0.44 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 34.26 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1aca s THR 17 N -1.65 0.25 0.00 -0.18 2.01 -1.26 -5.05 115.64 109.76 1aca s THR 17 Ca 0.00 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.02 1aca s THR 17 Cb 0.00 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1aca s THR 17 CO 0.00 -1.05 0.00 1.17 -0.69 0.00 0.00 174.62 174.05 1aca n LYS 18 N 3.73 0.00 -0.48 4.92 3.00 -1.26 -4.79 118.16 123.28 1aca n LYS 18 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.19 1aca n LYS 18 Cb 0.39 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.68 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 -2.53 -1.93 1.64 -0.02 -1.26 -4.85 135.00 126.04 1aca n PRO 19 Ca 0.00 -0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 60.34 1aca n PRO 19 Cb 0.00 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1aca n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aca s ALA 20 N -2.36 3.37 0.38 3.55 0.00 -1.26 -4.78 121.76 120.66 1aca s ALA 20 Ca 0.67 0.82 0.29 0.00 0.00 0.00 0.00 51.96 53.74 1aca s ALA 20 Cb -0.24 -3.84 1.28 0.00 0.00 0.00 0.00 23.12 20.31 1aca s ALA 20 CO 0.66 -1.80 1.31 -0.25 0.00 0.00 0.00 175.76 175.68 1aca n ASP 21 N 8.25 0.16 -0.05 0.00 9.92 -1.26 0.11 116.55 133.68 1aca n ASP 21 Ca 0.20 1.13 -0.11 0.00 -0.53 0.00 0.00 54.79 55.47 1aca n ASP 21 Cb 0.44 -0.56 0.02 0.00 -0.64 0.00 0.00 41.12 40.38 1aca n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1aca h GLU 22 N 0.00 0.75 -0.13 -1.24 5.08 -1.99 0.50 114.58 117.56 1aca h GLU 22 Ca 0.75 -0.43 -0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1aca h GLU 22 Cb 2.48 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.75 1aca h GLU 22 CO -0.35 1.06 -0.51 0.93 -1.00 0.00 0.00 179.01 179.14 1aca h GLU 23 N 0.60 0.34 0.40 2.33 5.08 0.46 -2.51 114.58 121.27 1aca h GLU 23 Ca 0.03 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1aca h GLU 23 Cb 1.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1aca h GLU 23 CO 0.10 0.77 -0.19 0.52 -1.00 0.00 0.00 179.01 179.21 1aca h MET 24 N 0.27 -0.52 -0.20 2.33 2.86 -0.67 -2.55 114.93 116.46 1aca h MET 24 Ca 0.01 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1aca h MET 24 Cb 0.99 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1aca h MET 24 CO 0.08 -0.34 -0.11 1.28 1.06 0.00 0.00 176.91 178.88 1aca n LEU 25 N -3.88 -0.19 0.15 1.22 4.77 0.17 0.23 117.00 119.47 1aca n LEU 25 Ca -0.07 0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1aca n LEU 25 Cb 0.21 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1aca n LEU 25 CO 0.16 -0.30 0.64 0.15 -1.33 0.00 0.00 177.39 176.71 1aca h PHE 26 N 0.00 -0.93 0.09 -1.77 3.04 -1.35 -1.95 116.94 114.07 1aca h PHE 26 Ca 0.04 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.03 1aca h PHE 26 Cb 0.09 0.38 -0.05 0.00 2.56 0.00 0.00 35.95 38.94 1aca h PHE 26 CO -0.20 -0.46 -0.45 0.82 -2.02 0.00 0.00 178.31 176.00 1aca h ILE 27 N -0.61 0.11 -0.30 1.41 1.08 0.33 -0.33 117.51 119.20 1aca h ILE 27 Ca 0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.55 1aca h ILE 27 Cb 0.61 0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.39 1aca h ILE 27 CO -0.16 0.00 -0.36 0.22 -0.69 0.00 0.00 178.15 177.16 1aca h TYR 28 N -0.67 -1.02 0.18 1.37 3.20 -0.84 0.44 116.97 119.63 1aca h TYR 28 Ca 0.02 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1aca h TYR 28 Cb 0.70 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 1aca h TYR 28 CO -0.41 -0.41 -0.41 0.66 -1.64 0.00 0.00 178.16 175.95 1aca h SER 29 N -0.34 -1.20 -0.16 -2.11 4.64 -1.07 0.15 113.55 113.45 1aca h SER 29 Ca 0.13 0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.61 1aca h SER 29 Cb 0.56 0.43 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 1aca h SER 29 CO -0.48 -0.46 -0.12 0.45 -0.87 0.00 0.00 176.83 175.34 1aca h HIS 30 N -0.65 -0.30 -0.24 4.77 3.86 -0.58 0.14 115.15 122.15 1aca h HIS 30 Ca -0.02 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1aca h HIS 30 Cb 0.62 0.16 -0.06 0.00 1.06 0.00 0.00 27.41 29.19 1aca h HIS 30 CO -0.36 -0.18 -0.44 -0.92 0.86 0.00 0.00 177.93 176.89 1aca h TYR 31 N -0.13 -1.32 -0.96 2.45 3.20 0.19 -0.38 116.97 120.03 1aca h TYR 31 Ca 0.10 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.12 1aca h TYR 31 Cb 0.28 0.61 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 1aca h TYR 31 CO -0.26 -0.40 0.62 0.87 -1.64 0.00 0.00 178.16 177.34 1aca h LYS 32 N -0.37 0.98 0.00 1.82 1.79 -0.52 -0.55 116.57 119.72 1aca h LYS 32 Ca 0.04 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1aca h LYS 32 Cb 0.49 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1aca h LYS 32 CO -0.42 0.65 -0.20 1.96 -1.08 0.00 0.00 179.45 180.36 1aca h GLN 33 N 1.01 0.00 0.16 3.15 7.50 0.24 2.10 115.11 129.27 1aca h GLN 33 Ca 0.44 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.28 1aca h GLN 33 Cb 0.35 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.89 1aca h GLN 33 CO -0.20 0.20 -1.51 0.00 -1.50 0.00 0.00 178.83 175.83 1aca h ALA 34 N 1.80 0.13 0.00 3.87 0.00 -0.15 -3.16 119.26 121.75 1aca h ALA 34 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1aca h ALA 34 Cb 0.76 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1aca h ALA 34 CO 0.03 1.00 -0.15 1.79 0.00 0.00 0.00 179.25 181.91 1aca h THR 35 N 0.09 0.00 0.02 0.00 1.35 -0.98 -3.43 112.91 109.96 1aca h THR 35 Ca -0.24 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1aca h THR 35 Cb 2.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1aca h THR 35 CO 0.20 0.00 -0.01 0.58 -0.25 0.00 0.00 175.52 176.04 1aca h VAL 36 N -0.35 0.00 0.00 6.82 2.07 0.29 -3.50 116.25 121.59 1aca h VAL 36 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1aca h VAL 36 Cb 0.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1aca h VAL 36 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1aca n GLY 37 N 1.72 2.13 3.87 2.17 0.00 0.12 -4.92 105.19 110.28 1aca n GLY 37 Ca -0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 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 6.48 -0.26 1.61 1.11 -1.26 -3.89 116.67 116.45 1aca s ASP 38 Ca 0.00 0.56 -0.27 0.00 0.18 0.00 0.00 52.55 53.03 1aca s ASP 38 Cb 0.00 -2.10 0.01 0.00 1.07 0.00 0.00 42.92 41.89 1aca s ASP 38 CO 0.00 0.38 0.95 -0.51 1.18 0.00 0.00 175.17 177.17 1aca s ILE 39 N -1.07 4.71 -0.24 0.77 2.07 -1.26 -4.85 121.20 121.33 1aca s ILE 39 Ca 0.18 1.70 0.16 0.00 -1.41 0.00 0.00 60.65 61.27 1aca s ILE 39 Cb -0.13 -4.25 0.47 0.00 0.13 0.00 0.00 42.46 38.68 1aca s ILE 39 CO 0.07 -0.22 1.16 -0.46 -1.91 0.00 0.00 174.94 173.58 1aca n ASN 40 N 6.33 2.86 -4.25 4.50 0.23 -1.26 -5.06 115.26 118.60 1aca n ASN 40 Ca 0.09 -2.93 -0.24 0.00 -0.53 0.00 0.00 54.58 50.97 1aca n ASN 40 Cb 0.47 -0.41 -0.09 0.00 -2.08 0.00 0.00 39.78 37.67 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 -3.63 0.79 0.47 5.53 -4.23 -1.26 -5.18 115.64 108.13 1aca s THR 41 Ca 0.39 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1aca s THR 41 Cb 0.37 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.72 1aca s THR 41 CO -0.03 0.00 0.50 -1.83 -0.54 0.00 0.00 174.62 172.72 1aca s GLU 42 N -3.79 2.49 -0.54 3.99 -1.05 -1.26 -5.11 118.70 113.43 1aca s GLU 42 Ca 0.28 -1.59 -0.15 0.00 -0.15 0.00 0.00 54.97 53.35 1aca s GLU 42 Cb 0.05 -2.44 0.13 0.00 -0.44 0.00 0.00 34.13 31.42 1aca s GLU 42 CO 0.14 -0.41 0.49 0.50 0.95 0.00 0.00 175.26 176.93 1aca s ARG 43 N -4.30 2.95 0.34 -4.83 3.52 -1.26 -4.92 118.95 110.46 1aca s ARG 43 Ca 0.49 -1.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.37 1aca s ARG 43 Cb -0.05 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.08 1aca s ARG 43 CO 0.30 -1.32 0.00 -2.30 -0.81 0.00 0.00 175.30 171.17 1aca n PRO 44 N 5.20 1.44 -0.05 5.12 -0.02 -1.26 -4.85 135.00 140.59 1aca n PRO 44 Ca -0.13 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.30 1aca n PRO 44 Cb 0.40 -0.69 -0.02 0.00 -0.02 0.00 0.00 33.50 33.18 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 2.06 -0.46 0.00 -1.23 0.00 -1.26 -4.72 105.19 99.58 1aca n GLY 45 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.68 0.00 -1.68 1.61 0.00 -1.26 -4.82 117.12 107.29 1aca n MET 46 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.33 1aca n MET 46 Cb 0.29 0.00 0.14 0.00 0.00 0.00 0.00 33.22 33.66 1aca n MET 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1aca s LEU 47 N 0.00 2.18 -0.40 3.17 1.02 -1.26 -4.83 118.68 118.56 1aca s LEU 47 Ca 0.00 0.74 -0.06 0.00 0.02 0.00 0.00 54.13 54.83 1aca s LEU 47 Cb 0.00 -3.00 -0.13 0.00 0.02 0.00 0.00 46.19 43.08 1aca s LEU 47 CO 0.00 -2.54 3.23 0.47 0.02 0.00 0.00 176.35 177.53 1aca n ASP 48 N -3.72 6.18 0.00 2.29 9.92 -1.26 -4.60 116.55 125.35 1aca n ASP 48 Ca 0.09 -2.74 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 1aca n ASP 48 Cb 0.60 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 1aca n ASP 48 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1aca n PHE 49 N 2.11 0.00 0.00 1.24 3.01 -1.26 0.28 117.46 122.84 1aca n PHE 49 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.96 1aca n PHE 49 Cb 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 1aca n PHE 49 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1aca n LYS 50 N 0.00 0.00 0.00 -1.08 0.00 -1.26 -1.61 118.16 114.21 1aca n LYS 50 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 58.31 58.54 1aca n LYS 50 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.49 1aca n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aca n GLY 51 N -1.19 0.12 0.00 3.14 0.00 -1.26 -4.72 105.19 101.28 1aca n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1aca n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aca n LYS 52 N -1.89 0.00 -0.02 1.61 4.01 -1.17 -1.80 118.16 118.90 1aca n LYS 52 Ca 0.00 0.41 -0.00 0.00 -0.51 0.00 0.00 58.31 58.21 1aca n LYS 52 Cb 0.00 -1.32 -0.00 0.00 -0.51 0.00 0.00 35.03 33.19 1aca n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aca n ALA 53 N -1.61 -0.02 -0.28 7.82 0.00 0.14 0.16 120.51 126.72 1aca n ALA 53 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 1aca n ALA 53 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 1aca n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aca n LYS 54 N -2.68 -0.29 0.18 0.00 4.76 -1.00 0.35 118.16 119.48 1aca n LYS 54 Ca 0.00 1.32 -0.13 0.00 -2.87 0.00 0.00 58.31 56.63 1aca n LYS 54 Cb 0.01 -1.95 -0.07 0.00 -1.84 0.00 0.00 35.03 31.18 1aca n LYS 54 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1aca h TRP 55 N 0.00 -1.08 -0.13 2.13 7.01 0.24 0.11 115.95 124.22 1aca h TRP 55 Ca 0.11 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1aca h TRP 55 Cb 0.27 0.43 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 1aca h TRP 55 CO -0.98 -0.48 -0.26 -0.44 -2.79 0.00 0.00 178.44 173.49 1aca h ASP 56 N -0.69 -0.84 -0.86 2.65 3.32 -0.19 0.50 116.42 120.30 1aca h ASP 56 Ca -0.03 0.11 0.14 0.00 0.02 0.00 0.00 57.03 57.27 1aca h ASP 56 Cb 0.62 0.34 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 1aca h ASP 56 CO -0.10 -0.20 -0.35 0.00 -1.72 0.00 0.00 179.24 176.87 1aca h ALA 57 N -0.80 0.17 0.17 3.45 0.00 -0.05 -2.77 119.26 119.43 1aca h ALA 57 Ca 0.03 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1aca h ALA 57 Cb 0.29 0.89 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1aca h ALA 57 CO -0.25 -0.60 -0.08 2.35 0.00 0.00 0.00 179.25 180.67 1aca h TRP 58 N -0.05 -0.21 -0.49 0.00 7.01 0.27 -3.30 115.95 119.19 1aca h TRP 58 Ca 0.33 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.48 1aca h TRP 58 Cb 0.59 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.69 1aca h TRP 58 CO -0.78 -0.13 0.33 -1.71 -2.79 0.00 0.00 178.44 173.37 1aca n ASN 59 N -2.61 0.04 -0.13 2.65 5.15 0.17 0.25 115.26 120.77 1aca n ASN 59 Ca -0.03 0.37 -0.03 0.00 -0.60 0.00 0.00 54.58 54.29 1aca n ASN 59 Cb 0.09 -0.18 0.18 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.83 0.15 1.20 4.22 -1.64 -3.12 114.58 116.22 1aca h GLU 60 Ca 0.27 -0.18 -0.27 0.00 0.08 0.00 0.00 59.36 59.26 1aca h GLU 60 Cb 0.97 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 30.13 1aca h GLU 60 CO -0.08 0.76 -1.16 -0.07 -2.18 0.00 0.00 179.01 176.28 1aca h LEU 61 N 0.79 0.77 -6.36 1.64 3.38 -0.41 -3.46 115.31 111.66 1aca h LEU 61 Ca 0.17 -0.86 -0.60 0.00 0.09 0.00 0.00 57.88 56.68 1aca h LEU 61 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1aca h LEU 61 CO 0.00 1.56 1.07 1.17 0.09 0.00 0.00 178.44 182.34 1aca n LYS 62 N -3.88 0.00 0.00 1.13 4.81 -1.18 -2.16 118.16 116.87 1aca n LYS 62 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1aca n LYS 62 Cb 0.95 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.81 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 5.91 1.33 3.81 3.14 0.00 -1.26 -4.92 105.19 113.19 1aca n GLY 63 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.78 4.51 -0.23 2.61 2.01 -0.92 -5.09 115.64 116.75 1aca s THR 64 Ca 0.00 -1.09 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 1aca s THR 64 Cb 0.00 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 1aca s THR 64 CO 0.00 -0.13 0.17 -0.44 -0.69 0.00 0.00 174.62 173.54 1aca s SER 65 N -3.17 6.15 0.24 3.53 0.01 -1.26 -4.75 113.70 114.44 1aca s SER 65 Ca 0.31 0.15 -0.11 0.00 1.31 0.00 0.00 55.95 57.61 1aca s SER 65 Cb -0.10 -2.11 0.33 0.00 0.21 0.00 0.00 66.02 64.35 1aca s SER 65 CO 0.24 0.07 1.42 0.29 0.41 0.00 0.00 173.24 175.67 1aca n LYS 66 N 4.21 -0.14 -0.13 12.44 4.76 -1.25 -1.56 118.16 136.49 1aca n LYS 66 Ca -0.15 1.42 -0.04 0.00 -2.87 0.00 0.00 58.31 56.67 1aca n LYS 66 Cb 0.52 -2.11 0.02 0.00 -1.84 0.00 0.00 35.03 31.61 1aca n LYS 66 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1aca h GLU 67 N 0.00 -0.03 -0.13 1.97 3.07 -1.86 0.14 114.58 117.74 1aca h GLU 67 Ca 0.38 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1aca h GLU 67 Cb 0.61 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1aca h GLU 67 CO -0.93 -0.02 0.05 0.22 -1.40 0.00 0.00 179.01 176.93 1aca h ASP 68 N -0.04 0.16 0.07 1.42 3.58 -1.68 -0.91 116.42 119.02 1aca h ASP 68 Ca 0.21 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1aca h ASP 68 Cb 0.35 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1aca h ASP 68 CO -0.46 0.15 -0.03 0.00 -2.88 0.00 0.00 179.24 176.02 1aca h ALA 69 N 1.88 -0.09 -0.79 -0.78 0.00 -1.22 -3.23 119.26 115.03 1aca h ALA 69 Ca 0.05 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.86 1aca h ALA 69 Cb 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 1aca h ALA 69 CO -0.01 -0.30 -0.32 0.52 0.00 0.00 0.00 179.25 179.15 1aca h MET 70 N -0.59 -0.06 -0.72 0.00 2.86 0.30 0.45 114.93 117.17 1aca h MET 70 Ca -0.01 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1aca h MET 70 Cb 0.50 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 1aca h MET 70 CO 0.02 -0.04 -0.38 0.36 1.06 0.00 0.00 176.91 177.92 1aca n LYS 71 N -5.48 -0.27 0.04 1.72 2.85 -0.66 -0.58 118.16 115.77 1aca n LYS 71 Ca 0.08 1.09 -0.20 0.00 -1.05 0.00 0.00 58.31 58.23 1aca n LYS 71 Cb 0.39 -1.60 -0.14 0.00 -0.65 0.00 0.00 35.03 33.02 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1aca h ALA 72 N 0.53 0.35 -0.56 0.58 0.00 -1.51 -3.20 119.26 115.45 1aca h ALA 72 Ca 0.15 -1.27 0.07 0.00 0.00 0.00 0.00 54.91 53.86 1aca h ALA 72 Cb 0.33 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1aca h ALA 72 CO -0.68 1.21 -0.52 -0.92 0.00 0.00 0.00 179.25 178.34 1aca h TYR 73 N 0.08 -1.59 0.14 0.00 3.20 0.13 0.85 116.97 119.78 1aca h TYR 73 Ca -0.35 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1aca h TYR 73 Cb 2.05 0.77 -0.02 0.00 1.54 0.00 0.00 36.73 41.07 1aca h TYR 73 CO 0.08 -0.45 -0.29 0.82 -1.64 0.00 0.00 178.16 176.68 1aca h ILE 74 N -0.28 0.00 -1.23 1.81 2.04 -1.01 0.38 117.51 119.22 1aca h ILE 74 Ca 0.12 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.34 1aca h ILE 74 Cb 0.56 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 1aca h ILE 74 CO -0.68 0.00 0.83 -0.78 0.00 0.00 0.00 178.15 177.52 1aca h ASP 75 N -0.47 0.22 0.01 1.72 3.58 -1.36 0.49 116.42 120.62 1aca h ASP 75 Ca -0.01 0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 1aca h ASP 75 Cb 0.44 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.54 1aca h ASP 75 CO -0.12 -0.01 -0.48 0.50 -2.88 0.00 0.00 179.24 176.25 1aca h LYS 76 N 0.16 0.31 -0.56 0.28 1.63 0.21 -1.82 116.57 116.79 1aca h LYS 76 Ca 0.67 -0.35 0.05 0.00 -0.85 0.00 0.00 60.65 60.17 1aca h LYS 76 Cb 2.18 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 33.86 1aca h LYS 76 CO -0.21 1.05 0.28 0.28 -3.45 0.00 0.00 179.45 177.40 1aca h VAL 77 N -0.28 0.94 -0.73 2.00 2.07 0.25 -0.13 116.25 120.36 1aca h VAL 77 Ca -0.06 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.38 1aca h VAL 77 Cb 1.23 0.36 -0.12 0.00 -1.52 0.00 0.00 31.29 31.23 1aca h VAL 77 CO 0.09 0.10 -0.44 -0.08 0.02 0.00 0.00 177.57 177.26 1aca h GLU 78 N 0.53 -0.14 0.16 1.57 4.22 0.02 0.33 114.58 121.27 1aca h GLU 78 Ca 0.25 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.72 1aca h GLU 78 Cb 0.17 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1aca h GLU 78 CO -0.18 -0.09 -0.32 0.93 -2.18 0.00 0.00 179.01 177.17 1aca h GLU 79 N -0.14 -0.55 -0.66 1.92 5.08 -0.18 -2.79 114.58 117.26 1aca h GLU 79 Ca 0.22 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 1aca h GLU 79 Cb 0.55 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.80 1aca h GLU 79 CO -0.79 -0.37 -0.10 -0.07 -1.00 0.00 0.00 179.01 176.69 1aca h LEU 80 N -0.57 -0.48 -0.78 1.33 3.38 0.13 0.10 115.31 118.42 1aca h LEU 80 Ca 0.02 0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.41 1aca h LEU 80 Cb 0.58 0.36 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 1aca h LEU 80 CO -0.16 -0.19 0.09 1.17 0.09 0.00 0.00 178.44 179.44 1aca n LYS 81 N -5.39 -0.06 -0.09 1.13 0.00 0.90 0.12 118.16 114.78 1aca n LYS 81 Ca 0.09 1.16 -0.17 0.00 0.00 0.00 0.00 58.31 59.39 1aca n LYS 81 Cb 0.37 -1.88 -0.11 0.00 0.00 0.00 0.00 35.03 33.40 1aca n LYS 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1aca h LYS 82 N 0.00 0.00 -0.46 1.64 1.57 -1.05 -0.80 116.57 117.47 1aca h LYS 82 Ca 0.51 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.38 1aca h LYS 82 Cb 1.13 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.36 1aca h LYS 82 CO -0.71 0.94 -0.03 0.87 -0.57 0.00 0.00 179.45 179.94 1aca h LYS 83 N -1.00 0.07 0.00 3.15 1.57 0.10 -3.34 116.57 117.13 1aca h LYS 83 Ca -0.18 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.22 1aca h LYS 83 Cb 1.11 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 1aca h LYS 83 CO -0.11 0.05 -2.25 0.66 -0.57 0.00 0.00 179.45 177.23 1aca n TYR 84 N -5.25 0.00 0.00 -1.35 4.01 0.12 -5.07 117.16 109.61 1aca n TYR 84 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1aca n TYR 84 Cb 0.25 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 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 1.65 0.51 0.00 2.72 0.00 -0.31 -4.56 105.19 105.19 1aca n GLY 85 Ca -0.44 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61