#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 1.65 -0.03 4.33 0.00 -1.26 -4.99 117.38 117.08 1aca n GLN 2 Ca 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 57.00 53.74 1aca n GLN 2 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 28.88 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 -0.41 -0.01 -0.06 2.61 0.00 -1.26 -4.28 120.51 117.10 1aca n ALA 3 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.52 1aca n ALA 3 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.33 1aca n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1aca n GLU 4 N -0.01 0.39 -0.01 0.00 2.13 -1.26 -4.43 120.64 117.45 1aca n GLU 4 Ca 0.00 0.16 -0.19 0.00 0.66 0.00 0.00 57.16 57.79 1aca n GLU 4 Cb 0.00 -1.18 -0.14 0.00 0.27 0.00 0.00 31.44 30.39 1aca n GLU 4 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1aca h PHE 5 N -0.74 0.31 -0.62 4.31 3.04 -1.94 -2.97 116.94 118.32 1aca h PHE 5 Ca 0.00 -0.22 0.13 0.00 3.98 0.00 0.00 57.97 61.85 1aca h PHE 5 Cb 0.74 -0.01 -0.12 0.00 2.56 0.00 0.00 35.95 39.13 1aca h PHE 5 CO -0.32 1.30 -0.13 -0.44 -2.02 0.00 0.00 178.31 176.70 1aca h ASP 6 N -0.60 -0.52 -0.15 0.41 3.32 -1.88 0.37 116.42 117.37 1aca h ASP 6 Ca -0.16 0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1aca h ASP 6 Cb 1.45 0.37 -0.07 0.00 0.22 0.00 0.00 39.33 41.30 1aca h ASP 6 CO 0.05 -0.19 -0.54 0.50 -1.72 0.00 0.00 179.24 177.34 1aca h LYS 7 N 0.02 -0.55 -0.18 3.56 1.63 -1.77 -0.14 116.57 119.14 1aca h LYS 7 Ca 0.31 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.20 1aca h LYS 7 Cb 0.47 0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.17 1aca h LYS 7 CO -0.62 -0.37 -0.24 0.00 -3.45 0.00 0.00 179.45 174.77 1aca h ALA 8 N -0.26 -0.19 0.00 5.00 0.00 -0.37 0.24 119.26 123.69 1aca h ALA 8 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1aca h ALA 8 Cb 0.68 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1aca h ALA 8 CO -0.44 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 178.11 1aca n ALA 9 N -2.76 1.55 -0.07 0.00 0.00 0.95 -0.11 120.51 120.07 1aca n ALA 9 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1aca n ALA 9 Cb 0.29 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.03 0.45 -0.11 0.00 0.28 -0.11 -4.13 120.64 115.99 1aca n GLU 10 Ca 0.01 0.18 -0.09 0.00 -0.16 0.00 0.00 57.16 57.11 1aca n GLU 10 Cb 0.01 -1.29 -0.07 0.00 1.43 0.00 0.00 31.44 31.52 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 -0.84 -0.22 -0.33 3.44 5.08 0.12 -1.49 114.58 120.33 1aca h GLU 11 Ca -0.07 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1aca h GLU 11 Cb 0.92 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 1aca h GLU 11 CO -0.04 -0.15 -0.35 -0.24 -1.00 0.00 0.00 179.01 177.23 1aca h VAL 12 N -0.23 0.21 0.00 3.13 3.04 -0.76 0.67 116.25 122.31 1aca h VAL 12 Ca 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1aca h VAL 12 Cb 0.37 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 1aca h VAL 12 CO -0.42 0.00 0.06 0.11 -1.01 0.00 0.00 177.57 176.31 1aca h LYS 13 N -0.31 0.00 -0.02 4.17 1.57 -1.61 -0.02 116.57 120.35 1aca h LYS 13 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1aca h LYS 13 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1aca h LYS 13 CO -0.50 0.00 -0.27 0.72 -0.57 0.00 0.00 179.45 178.83 1aca n HIS 14 N -2.58 0.00 -1.61 -1.35 8.25 0.22 -4.96 115.22 113.18 1aca n HIS 14 Ca -0.02 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.94 1aca n HIS 14 Cb 0.10 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 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 0.41 2.07 0.00 2.41 4.77 -0.02 -4.53 117.00 122.11 1aca n LEU 15 Ca 0.12 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1aca n LEU 15 Cb 0.50 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1aca n LEU 15 CO 0.23 -0.82 0.31 0.29 -1.33 0.00 0.00 177.39 176.06 1aca n LYS 16 N 2.78 0.00 -3.46 3.23 5.02 -0.21 -4.44 118.16 121.07 1aca n LYS 16 Ca 0.18 0.14 -0.08 0.00 -2.02 0.00 0.00 58.31 56.53 1aca n LYS 16 Cb 0.22 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.19 -0.65 -0.86 -0.18 2.01 -1.26 -5.07 115.64 107.43 1aca s THR 17 Ca 0.00 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1aca s THR 17 Cb 0.00 -0.77 -0.19 0.00 0.01 0.00 0.00 72.50 71.55 1aca s THR 17 CO 0.00 -0.04 2.36 1.17 -0.69 0.00 0.00 174.62 177.42 1aca n LYS 18 N 5.38 0.00 -0.49 4.92 0.00 -1.26 -4.86 118.16 121.85 1aca n LYS 18 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.05 1aca n LYS 18 Cb 0.50 -1.32 0.17 0.00 0.00 0.00 0.00 35.03 34.38 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 7.44 -2.62 -2.03 1.64 -0.02 -1.26 -4.86 135.00 133.28 1aca n PRO 19 Ca 0.58 -0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 1aca n PRO 19 Cb 0.02 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 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 -2.09 3.69 0.35 3.55 0.00 -1.26 -4.77 121.76 121.24 1aca s ALA 20 Ca 0.42 1.27 0.15 0.00 0.00 0.00 0.00 51.96 53.80 1aca s ALA 20 Cb -0.08 -3.58 1.16 0.00 0.00 0.00 0.00 23.12 20.62 1aca s ALA 20 CO 0.39 -0.71 1.58 -0.44 0.00 0.00 0.00 175.76 176.58 1aca h ASP 21 N 6.68 0.06 -0.70 0.00 3.32 -1.98 0.44 116.42 124.24 1aca h ASP 21 Ca -0.43 0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1aca h ASP 21 Cb 1.21 0.34 -0.03 0.00 0.22 0.00 0.00 39.33 41.07 1aca h ASP 21 CO 0.89 -0.41 0.40 -0.33 -1.72 0.00 0.00 179.24 178.07 1aca h GLU 22 N 0.00 0.96 -0.51 3.56 5.08 -1.98 0.67 114.58 122.36 1aca h GLU 22 Ca 0.77 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.95 1aca h GLU 22 Cb 1.93 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1aca h GLU 22 CO -0.82 0.69 -0.01 0.93 -1.00 0.00 0.00 179.01 178.81 1aca h GLU 23 N 0.95 0.87 0.41 2.33 5.08 -0.55 0.23 114.58 123.90 1aca h GLU 23 Ca 0.25 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1aca h GLU 23 Cb -0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1aca h GLU 23 CO -0.04 0.87 -0.20 0.52 -1.00 0.00 0.00 179.01 179.16 1aca h MET 24 N 0.81 -0.53 -0.86 2.33 2.86 -0.50 0.18 114.93 119.21 1aca h MET 24 Ca 0.15 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 1aca h MET 24 Cb 0.49 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 32.17 1aca h MET 24 CO 0.02 -0.26 -0.49 1.28 1.06 0.00 0.00 176.91 178.52 1aca n LEU 25 N -5.25 -0.88 0.30 1.22 4.77 0.23 0.66 117.00 118.05 1aca n LEU 25 Ca -0.11 1.53 -0.17 0.00 -0.03 0.00 0.00 56.01 57.24 1aca n LEU 25 Cb 0.28 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1aca n LEU 25 CO 0.33 -1.26 0.64 0.15 -1.33 0.00 0.00 177.39 175.92 1aca h PHE 26 N 0.00 -0.91 -0.09 -1.77 3.57 -0.76 -3.20 116.94 113.78 1aca h PHE 26 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1aca h PHE 26 Cb 0.37 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1aca h PHE 26 CO -0.87 -0.51 -0.14 0.82 -2.23 0.00 0.00 178.31 175.38 1aca h ILE 27 N -0.82 0.00 -0.06 1.41 1.08 0.33 -3.24 117.51 116.21 1aca h ILE 27 Ca -0.06 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1aca h ILE 27 Cb 0.68 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1aca h ILE 27 CO 0.04 0.00 -0.04 0.00 -0.69 0.00 0.00 178.15 177.46 1aca n TYR 28 N -3.35 -0.03 -0.00 1.37 9.36 0.19 -2.32 117.16 122.39 1aca n TYR 28 Ca -0.01 0.08 -0.00 0.00 3.32 0.00 0.00 57.90 61.29 1aca n TYR 28 Cb 0.08 -0.34 -0.00 0.00 -0.63 0.00 0.00 39.34 38.45 1aca n TYR 28 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1aca n SER 29 N -2.85 -0.01 0.06 2.98 3.41 -1.21 -0.66 113.62 115.34 1aca n SER 29 Ca 0.00 0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 58.83 1aca n SER 29 Cb 0.02 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 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 -0.37 -0.60 7.33 3.86 -1.65 0.11 115.15 123.82 1aca h HIS 30 Ca 0.00 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1aca h HIS 30 Cb 0.00 0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.55 1aca h HIS 30 CO -0.31 -0.21 0.12 -0.92 0.86 0.00 0.00 177.93 177.47 1aca h TYR 31 N -0.25 0.20 0.66 2.45 3.20 -0.47 0.17 116.97 122.93 1aca h TYR 31 Ca 0.04 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1aca h TYR 31 Cb 0.30 0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.58 1aca h TYR 31 CO -0.19 -0.04 -0.32 0.87 -1.64 0.00 0.00 178.16 176.85 1aca h LYS 32 N 0.25 -0.85 -0.53 1.82 1.79 -0.81 -0.12 116.57 118.12 1aca h LYS 32 Ca 0.32 0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.95 1aca h LYS 32 Cb 0.47 0.19 -0.11 0.00 -1.58 0.00 0.00 32.23 31.21 1aca h LYS 32 CO -0.41 -0.57 -0.28 0.37 -1.08 0.00 0.00 179.45 177.49 1aca h GLN 33 N -1.19 -0.14 -0.37 3.15 -0.00 -0.65 1.07 115.11 116.98 1aca h GLN 33 Ca -0.09 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.65 1aca h GLN 33 Cb 0.68 0.03 -0.09 0.00 0.00 0.00 0.00 27.48 28.10 1aca h GLN 33 CO 0.15 -0.09 -0.26 0.00 0.00 0.00 0.00 178.83 178.62 1aca h ALA 34 N 1.10 -0.06 0.00 3.38 0.00 -0.59 -0.33 119.26 122.76 1aca h ALA 34 Ca 0.23 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1aca h ALA 34 Cb 0.52 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1aca h ALA 34 CO -0.61 -0.65 -0.71 1.79 0.00 0.00 0.00 179.25 179.06 1aca h THR 35 N -0.21 1.06 0.00 0.00 1.35 -0.52 -3.43 112.91 111.16 1aca h THR 35 Ca 0.18 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1aca h THR 35 Cb 0.49 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1aca h THR 35 CO -0.49 0.36 0.00 0.52 -0.25 0.00 0.00 175.52 175.66 1aca n VAL 36 N -4.53 0.00 0.00 6.82 0.31 0.36 -5.05 118.33 116.25 1aca n VAL 36 Ca -0.21 0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1aca n VAL 36 Cb 0.54 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1aca n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aca n GLY 37 N 1.79 1.51 3.90 2.92 0.00 -0.13 -4.96 105.19 110.22 1aca n GLY 37 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 5.55 -0.21 1.61 1.01 -1.23 -3.88 116.67 115.52 1aca s ASP 38 Ca 0.00 0.97 -0.04 0.00 0.71 0.00 0.00 52.55 54.19 1aca s ASP 38 Cb 0.00 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 1aca s ASP 38 CO 0.00 -1.20 -0.03 -0.51 0.21 0.00 0.00 175.17 173.65 1aca s ILE 39 N -3.20 3.60 -0.19 0.77 2.07 -1.26 -4.93 121.20 118.06 1aca s ILE 39 Ca 0.56 -0.42 0.13 0.00 -1.41 0.00 0.00 60.65 59.51 1aca s ILE 39 Cb -0.11 -2.63 0.43 0.00 0.13 0.00 0.00 42.46 40.28 1aca s ILE 39 CO 0.49 0.42 1.20 0.59 -1.91 0.00 0.00 174.94 175.73 1aca n ASN 40 N 4.57 2.19 -4.75 4.50 3.02 -1.26 -5.06 115.26 118.47 1aca n ASN 40 Ca -0.18 -3.47 -0.24 0.00 -0.03 0.00 0.00 54.58 50.66 1aca n ASN 40 Cb 0.51 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 1aca n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1aca s THR 41 N -2.99 2.31 0.40 3.41 -4.23 -1.26 -5.16 115.64 108.12 1aca s THR 41 Ca 0.39 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 1aca s THR 41 Cb 0.38 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1aca s THR 41 CO -0.06 0.00 0.54 -1.83 -0.54 0.00 0.00 174.62 172.72 1aca s GLU 42 N -3.92 2.87 -0.92 3.99 -1.05 -1.26 -5.11 118.70 113.31 1aca s GLU 42 Ca 0.41 -1.21 -0.10 0.00 -0.15 0.00 0.00 54.97 53.92 1aca s GLU 42 Cb 0.03 -2.75 0.24 0.00 -0.44 0.00 0.00 34.13 31.21 1aca s GLU 42 CO 0.23 -0.20 0.86 0.50 0.95 0.00 0.00 175.26 177.60 1aca s ARG 43 N -4.30 3.70 0.30 -4.83 3.52 -1.26 -4.83 118.95 111.25 1aca s ARG 43 Ca 0.53 -2.81 0.00 0.00 -0.13 0.00 0.00 55.73 53.32 1aca s ARG 43 Cb -0.10 -4.37 0.00 0.00 -1.56 0.00 0.00 34.95 28.92 1aca s ARG 43 CO 0.32 -1.26 0.00 -2.30 -0.81 0.00 0.00 175.30 171.25 1aca n PRO 44 N 3.34 1.22 0.00 5.12 -0.02 -1.26 -4.85 135.00 138.55 1aca n PRO 44 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1aca n PRO 44 Cb 0.43 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 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 1.80 -0.08 0.00 -1.23 0.00 -1.26 -4.76 105.19 99.67 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 -0.32 0.00 -3.50 1.61 0.00 -1.26 -4.53 117.12 109.12 1aca n MET 46 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 1aca n MET 46 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 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 -0.06 3.88 -1.32 3.17 1.02 -1.26 -4.95 118.68 119.16 1aca s LEU 47 Ca 0.00 -0.27 -0.07 0.00 0.02 0.00 0.00 54.13 53.81 1aca s LEU 47 Cb 0.00 -2.64 0.13 0.00 0.02 0.00 0.00 46.19 43.70 1aca s LEU 47 CO 0.00 -0.44 2.21 -0.67 0.02 0.00 0.00 176.35 177.46 1aca n ASP 48 N -1.61 6.89 0.00 2.29 -0.08 -1.26 -4.75 116.55 118.04 1aca n ASP 48 Ca 0.00 -3.11 0.00 0.00 -1.51 0.00 0.00 54.79 50.17 1aca n ASP 48 Cb 0.58 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.63 1aca n ASP 48 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1aca n PHE 49 N 2.65 0.00 0.13 -0.67 3.01 -1.26 -2.44 117.46 118.88 1aca n PHE 49 Ca 0.54 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.00 1aca n PHE 49 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 0.01 -0.07 -1.08 0.00 -1.26 0.25 118.16 116.02 1aca n LYS 50 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 58.31 58.61 1aca n LYS 50 Cb 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 35.03 33.75 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 -0.91 -0.42 0.06 3.14 0.00 -1.26 -4.84 105.19 100.96 1aca n GLY 51 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.78 0.00 0.00 1.61 1.57 0.31 -3.37 116.57 115.91 1aca h LYS 52 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1aca h LYS 52 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1aca h LYS 52 CO -0.04 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1aca n ALA 53 N -3.15 0.00 0.17 3.86 0.00 0.52 0.25 120.51 122.16 1aca n ALA 53 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1aca n ALA 53 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.74 -0.40 0.00 2.10 -1.80 0.21 116.57 115.94 1aca h LYS 54 Ca 0.00 0.05 0.05 0.00 -2.00 0.00 0.00 60.65 58.75 1aca h LYS 54 Cb 0.00 0.17 -0.08 0.00 -0.90 0.00 0.00 32.23 31.42 1aca h LYS 54 CO 0.00 -0.49 -0.51 2.35 -2.00 0.00 0.00 179.45 178.80 1aca h TRP 55 N -0.77 -1.55 0.09 0.07 7.01 0.32 0.27 115.95 121.40 1aca h TRP 55 Ca -0.01 0.08 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1aca h TRP 55 Cb 0.74 0.73 -0.04 0.00 -2.10 0.00 0.00 29.16 28.49 1aca h TRP 55 CO -0.35 -0.44 -0.47 -0.44 -2.79 0.00 0.00 178.44 173.96 1aca h ASP 56 N -0.34 -1.42 -0.92 2.65 5.19 -0.22 0.39 116.42 121.76 1aca h ASP 56 Ca 0.07 0.15 0.15 0.00 -0.62 0.00 0.00 57.03 56.78 1aca h ASP 56 Cb 0.53 0.52 -0.08 0.00 0.18 0.00 0.00 39.33 40.48 1aca h ASP 56 CO -0.56 -0.49 0.59 0.00 -3.12 0.00 0.00 179.24 175.66 1aca h ALA 57 N -0.65 1.82 0.01 3.45 0.00 -0.12 -3.14 119.26 120.63 1aca h ALA 57 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1aca h ALA 57 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1aca h ALA 57 CO -0.26 -0.08 -0.00 2.35 0.00 0.00 0.00 179.25 181.25 1aca h TRP 58 N 0.70 -0.01 0.00 0.00 7.01 0.27 -3.35 115.95 120.56 1aca h TRP 58 Ca 0.47 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.47 1aca h TRP 58 Cb 0.76 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1aca h TRP 58 CO -0.00 0.81 0.61 -0.97 -2.79 0.00 0.00 178.44 176.10 1aca h ASN 59 N -0.93 0.00 0.23 2.65 -1.24 -0.20 0.38 115.58 116.48 1aca h ASN 59 Ca -0.00 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.67 1aca h ASN 59 Cb 0.83 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.91 1aca h ASN 59 CO 0.00 0.00 -1.55 -0.08 -1.29 0.00 0.00 177.43 174.51 1aca h GLU 60 N 0.00 0.48 0.00 6.67 4.57 -1.70 -3.29 114.58 121.32 1aca h GLU 60 Ca 0.00 -0.83 -0.18 0.00 -1.18 0.00 0.00 59.36 57.17 1aca h GLU 60 Cb 1.22 0.31 -0.02 0.00 -0.16 0.00 0.00 28.75 30.09 1aca h GLU 60 CO 0.00 1.40 -0.85 -0.07 -1.18 0.00 0.00 179.01 178.31 1aca h LEU 61 N 0.11 0.03 0.00 1.64 3.38 -0.52 -3.40 115.31 116.55 1aca h LEU 61 Ca -0.29 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1aca h LEU 61 Cb 2.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.87 1aca h LEU 61 CO 0.24 0.86 0.00 1.17 0.09 0.00 0.00 178.44 180.80 1aca n LYS 62 N -3.55 0.00 -0.83 1.13 4.81 -0.09 0.21 118.16 119.83 1aca n LYS 62 Ca -0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.29 1aca n LYS 62 Cb 0.81 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.89 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 -0.47 3.83 4.03 3.14 0.00 -1.26 -3.46 105.19 110.99 1aca n GLY 63 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.90 2.18 -0.23 2.61 2.01 0.56 -5.08 115.64 115.78 1aca s THR 64 Ca 0.26 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 1aca s THR 64 Cb 0.20 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1aca s THR 64 CO -0.01 0.00 0.14 -0.44 -0.69 0.00 0.00 174.62 173.62 1aca s SER 65 N -4.66 5.95 0.27 3.53 0.01 -1.26 -4.97 113.70 112.57 1aca s SER 65 Ca 0.62 0.07 0.11 0.00 1.31 0.00 0.00 55.95 58.06 1aca s SER 65 Cb -0.06 -2.07 0.88 0.00 0.21 0.00 0.00 66.02 64.99 1aca s SER 65 CO 0.39 0.07 1.24 0.29 0.41 0.00 0.00 173.24 175.64 1aca n LYS 66 N 4.25 -0.05 -0.35 12.44 5.02 -1.26 -0.75 118.16 137.45 1aca n LYS 66 Ca -0.15 1.12 -0.02 0.00 -2.02 0.00 0.00 58.31 57.23 1aca n LYS 66 Cb 0.52 -1.92 0.12 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.27 -0.26 1.97 3.07 -1.93 -2.38 114.58 116.32 1aca h GLU 67 Ca 0.59 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 59.34 1aca h GLU 67 Cb 1.46 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1aca h GLU 67 CO -0.66 0.87 0.08 -0.44 -1.40 0.00 0.00 179.01 177.46 1aca h ASP 68 N 1.30 0.38 -0.50 1.42 5.19 -1.36 -1.53 116.42 121.32 1aca h ASP 68 Ca 0.34 -0.20 0.10 0.00 -0.62 0.00 0.00 57.03 56.65 1aca h ASP 68 Cb -0.10 -0.10 -0.09 0.00 0.18 0.00 0.00 39.33 39.22 1aca h ASP 68 CO -0.07 0.48 -0.10 0.00 -3.12 0.00 0.00 179.24 176.43 1aca h ALA 69 N 0.91 0.36 0.14 3.45 0.00 -1.49 -2.30 119.26 120.33 1aca h ALA 69 Ca 0.08 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1aca h ALA 69 Cb 0.24 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1aca h ALA 69 CO -0.00 -0.43 -0.32 0.52 0.00 0.00 0.00 179.25 179.02 1aca h MET 70 N 0.02 -0.53 -0.45 0.00 2.86 -0.96 0.33 114.93 116.20 1aca h MET 70 Ca 0.24 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 1aca h MET 70 Cb 0.37 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 1aca h MET 70 CO -0.50 -0.35 -0.20 1.63 1.06 0.00 0.00 176.91 178.55 1aca n LYS 71 N -5.42 -0.13 -0.06 1.72 5.02 -0.62 0.65 118.16 119.33 1aca n LYS 71 Ca -0.07 0.70 -0.11 0.00 -2.02 0.00 0.00 58.31 56.80 1aca n LYS 71 Cb 0.33 -1.03 -0.15 0.00 -0.02 0.00 0.00 35.03 34.16 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 -3.74 1.42 -0.23 7.82 0.00 -1.21 -4.12 120.51 120.47 1aca n ALA 72 Ca 0.04 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 1aca n ALA 72 Cb 0.17 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 1aca n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1aca h TYR 73 N 0.01 -1.45 0.13 0.00 3.20 0.43 0.21 116.97 119.50 1aca h TYR 73 Ca -0.43 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.53 1aca h TYR 73 Cb 2.09 0.71 -0.03 0.00 1.54 0.00 0.00 36.73 41.04 1aca h TYR 73 CO 0.01 -0.34 -0.40 0.82 -1.64 0.00 0.00 178.16 176.61 1aca h ILE 74 N -0.15 0.00 -0.93 1.81 2.04 -1.09 0.51 117.51 119.70 1aca h ILE 74 Ca 0.09 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.13 1aca h ILE 74 Cb 0.40 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.31 1aca h ILE 74 CO -0.62 0.00 -0.29 -0.78 0.00 0.00 0.00 178.15 176.46 1aca h ASP 75 N -0.59 -1.07 -0.98 1.72 3.58 -1.42 0.41 116.42 118.07 1aca h ASP 75 Ca -0.01 0.29 0.09 0.00 0.42 0.00 0.00 57.03 57.82 1aca h ASP 75 Cb 0.58 0.64 -0.07 0.00 1.72 0.00 0.00 39.33 42.20 1aca h ASP 75 CO -0.20 -0.30 0.63 0.07 -2.88 0.00 0.00 179.24 176.56 1aca h LYS 76 N -0.01 1.02 -0.10 0.28 2.10 0.13 0.31 116.57 120.30 1aca h LYS 76 Ca 0.40 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.94 1aca h LYS 76 Cb 0.65 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1aca h LYS 76 CO -0.96 0.68 -0.12 0.28 -2.00 0.00 0.00 179.45 177.33 1aca h VAL 77 N 1.05 1.37 -0.91 0.07 2.07 0.19 -2.61 116.25 117.49 1aca h VAL 77 Ca 0.45 -1.32 0.20 0.00 0.82 0.00 0.00 66.70 66.86 1aca h VAL 77 Cb 0.33 2.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.99 1aca h VAL 77 CO -0.21 0.38 0.45 -0.33 0.02 0.00 0.00 177.57 177.88 1aca h GLU 78 N -0.15 0.49 0.52 1.57 3.07 0.24 0.13 114.58 120.45 1aca h GLU 78 Ca 0.01 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1aca h GLU 78 Cb 0.66 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1aca h GLU 78 CO 0.03 0.33 -0.50 0.93 -1.40 0.00 0.00 179.01 178.40 1aca h GLU 79 N 0.51 -0.97 -0.86 2.33 5.08 -0.29 -2.53 114.58 117.85 1aca h GLU 79 Ca 0.55 0.07 0.20 0.00 -1.00 0.00 0.00 59.36 59.17 1aca h GLU 79 Cb 0.97 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1aca h GLU 79 CO -0.47 -0.65 0.35 -0.07 -1.00 0.00 0.00 179.01 177.17 1aca h LEU 80 N -1.01 0.27 -0.97 1.33 3.38 -0.61 0.30 115.31 118.00 1aca h LEU 80 Ca -0.07 0.15 0.22 0.00 0.09 0.00 0.00 57.88 58.27 1aca h LEU 80 Cb 0.87 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 1aca h LEU 80 CO -0.05 0.01 0.55 0.50 0.09 0.00 0.00 178.44 179.54 1aca h LYS 81 N 0.39 0.59 0.03 1.13 3.64 -0.43 0.51 116.57 122.43 1aca h LYS 81 Ca 0.52 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1aca h LYS 81 Cb 0.94 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1aca h LYS 81 CO -0.51 0.39 -0.02 0.87 -2.27 0.00 0.00 179.45 177.92 1aca h LYS 82 N 0.61 -0.04 0.08 1.90 1.57 -0.30 -0.16 116.57 120.22 1aca h LYS 82 Ca 0.59 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.38 1aca h LYS 82 Cb 1.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1aca h LYS 82 CO -0.45 0.61 -0.11 0.87 -0.57 0.00 0.00 179.45 179.80 1aca h LYS 83 N -0.75 -0.22 0.00 3.15 1.57 -0.18 -3.39 116.57 116.75 1aca h LYS 83 Ca -0.00 0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1aca h LYS 83 Cb 0.67 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1aca h LYS 83 CO 0.01 -0.14 -1.53 0.66 -0.57 0.00 0.00 179.45 177.88 1aca n TYR 84 N -5.23 0.00 0.00 -1.35 4.01 0.17 -5.07 117.16 109.69 1aca n TYR 84 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1aca n TYR 84 Cb 0.15 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 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 1.72 -0.04 0.00 2.72 0.00 -0.07 -4.59 105.19 104.94 1aca n GLY 85 Ca -0.28 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61