#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aca s GLN 2 N 0.00 1.87 0.00 1.43 0.00 -1.26 -4.99 119.66 116.71 1aca s GLN 2 Ca 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 55.36 53.89 1aca s GLN 2 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 33.01 31.02 1aca s GLN 2 CO 0.00 0.39 0.62 0.00 0.00 0.00 0.00 175.29 176.30 1aca n ALA 3 N -0.19 2.21 -0.09 2.60 0.00 -1.26 -2.96 120.51 120.82 1aca n ALA 3 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1aca n ALA 3 Cb 0.57 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 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 1.23 0.68 -0.07 0.00 4.71 -1.26 -3.69 120.64 122.23 1aca n GLU 4 Ca 0.00 0.07 -0.12 0.00 -0.01 0.00 0.00 57.16 57.11 1aca n GLU 4 Cb 0.21 -1.57 -0.08 0.00 -1.01 0.00 0.00 31.44 28.99 1aca n GLU 4 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1aca h PHE 5 N 0.00 0.00 -0.37 -0.32 3.04 -1.90 -0.31 116.94 117.08 1aca h PHE 5 Ca -0.51 0.00 0.08 0.00 3.98 0.00 0.00 57.97 61.52 1aca h PHE 5 Cb 2.15 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.59 1aca h PHE 5 CO 0.01 0.77 -0.11 -0.44 -2.02 0.00 0.00 178.31 176.52 1aca h ASP 6 N -1.00 -0.39 0.08 0.41 3.32 -1.79 0.44 116.42 117.48 1aca h ASP 6 Ca -0.08 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1aca h ASP 6 Cb 0.78 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1aca h ASP 6 CO -0.05 -0.14 -0.42 0.50 -1.72 0.00 0.00 179.24 177.41 1aca h LYS 7 N -0.02 -0.56 -0.84 3.56 3.64 -1.68 -0.42 116.57 120.25 1aca h LYS 7 Ca 0.18 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.75 1aca h LYS 7 Cb 0.30 0.13 -0.15 0.00 -0.41 0.00 0.00 32.23 32.09 1aca h LYS 7 CO -0.39 -0.37 -0.27 0.00 -2.27 0.00 0.00 179.45 176.15 1aca h ALA 8 N -0.74 0.38 -0.08 5.00 0.00 0.85 0.24 119.26 124.91 1aca h ALA 8 Ca -0.00 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1aca h ALA 8 Cb 0.59 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1aca h ALA 8 CO -0.24 -0.49 0.59 0.00 0.00 0.00 0.00 179.25 179.12 1aca h ALA 9 N 1.61 1.68 0.00 0.00 0.00 0.15 0.18 119.26 122.87 1aca h ALA 9 Ca 0.37 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 1aca h ALA 9 Cb 0.61 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1aca h ALA 9 CO -0.87 -0.63 -1.61 0.39 0.00 0.00 0.00 179.25 176.53 1aca n GLU 10 N -2.84 0.53 -0.37 0.00 1.02 0.64 -4.18 120.64 115.44 1aca n GLU 10 Ca 0.00 0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 57.27 1aca n GLU 10 Cb 0.65 -1.41 -0.09 0.00 -0.02 0.00 0.00 31.44 30.57 1aca n GLU 10 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1aca n GLU 11 N -4.32 -0.39 0.31 3.49 1.02 0.06 0.17 120.64 120.99 1aca n GLU 11 Ca -0.30 1.39 0.19 0.00 -0.02 0.00 0.00 57.16 58.42 1aca n GLU 11 Cb 0.66 -2.04 1.02 0.00 -0.02 0.00 0.00 31.44 31.05 1aca n GLU 11 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1aca h VAL 12 N 0.00 0.18 -0.00 2.62 3.04 -1.01 0.19 116.25 121.26 1aca h VAL 12 Ca 0.14 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1aca h VAL 12 Cb 0.36 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1aca h VAL 12 CO -0.83 0.02 -0.07 0.29 -1.01 0.00 0.00 177.57 175.97 1aca n LYS 13 N -3.30 0.44 -0.32 4.17 5.02 0.13 -2.94 118.16 121.36 1aca n LYS 13 Ca -0.02 -0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.25 1aca n LYS 13 Cb 0.13 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.20 0.72 -0.61 2.13 8.25 0.65 -5.04 115.22 120.11 1aca n HIS 14 Ca 0.13 -0.72 -0.30 0.00 -0.26 0.00 0.00 57.72 56.57 1aca n HIS 14 Cb 0.27 -0.19 0.20 0.00 1.12 0.00 0.00 29.99 31.40 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 -2.04 2.03 0.15 2.41 1.43 -1.15 -4.71 118.68 116.79 1aca s LEU 15 Ca 0.33 1.95 0.23 0.00 -1.03 0.00 0.00 54.13 55.61 1aca s LEU 15 Cb 0.24 -4.13 0.12 0.00 0.03 0.00 0.00 46.19 42.46 1aca s LEU 15 CO 0.11 -3.60 1.13 0.29 0.23 0.00 0.00 176.35 174.51 1aca n LYS 16 N -4.55 0.45 -3.23 1.70 4.76 -1.26 -4.88 118.16 111.15 1aca n LYS 16 Ca 0.08 0.09 -0.01 0.00 -2.87 0.00 0.00 58.31 55.60 1aca n LYS 16 Cb 0.53 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1aca s THR 17 N -3.27 -0.85 0.00 -0.18 2.01 -1.26 -5.05 115.64 107.04 1aca s THR 17 Ca 0.02 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1aca s THR 17 Cb 0.12 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1aca s THR 17 CO 0.77 -0.05 0.00 1.17 -0.69 0.00 0.00 174.62 175.82 1aca n LYS 18 N 5.40 0.00 -0.41 4.92 0.00 -1.26 -4.82 118.16 122.00 1aca n LYS 18 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.08 1aca n LYS 18 Cb 0.51 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.74 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 -3.26 -1.71 1.64 -0.02 -1.26 -4.79 135.00 125.61 1aca n PRO 19 Ca 0.00 -0.97 -0.43 0.00 -2.02 0.00 0.00 63.50 60.08 1aca n PRO 19 Cb 0.00 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -4.92 2.18 -0.31 3.55 0.00 -1.26 -4.66 120.51 115.09 1aca n ALA 20 Ca 0.09 0.41 0.09 0.00 0.00 0.00 0.00 53.44 54.03 1aca n ALA 20 Cb 0.42 -2.43 0.21 0.00 0.00 0.00 0.00 19.45 17.64 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 5.67 -0.49 -0.79 0.00 3.32 -1.98 0.55 116.42 122.69 1aca h ASP 21 Ca -0.45 0.25 0.11 0.00 0.02 0.00 0.00 57.03 56.96 1aca h ASP 21 Cb 1.23 0.44 -0.06 0.00 0.22 0.00 0.00 39.33 41.17 1aca h ASP 21 CO 0.87 -0.27 0.52 -0.33 -1.72 0.00 0.00 179.24 178.30 1aca h GLU 22 N 0.05 0.64 -0.16 3.56 5.08 -1.98 0.56 114.58 122.33 1aca h GLU 22 Ca 0.50 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1aca h GLU 22 Cb 0.93 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1aca h GLU 22 CO -0.83 0.42 -0.09 0.93 -1.00 0.00 0.00 179.01 178.44 1aca h GLU 23 N 0.66 0.34 -0.34 2.33 5.08 -0.28 0.21 114.58 122.58 1aca h GLU 23 Ca 0.38 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1aca h GLU 23 Cb 0.56 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1aca h GLU 23 CO -0.15 0.67 -0.03 0.52 -1.00 0.00 0.00 179.01 179.02 1aca h MET 24 N 0.00 0.05 0.44 2.33 2.86 -0.17 0.10 114.93 120.56 1aca h MET 24 Ca 0.03 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1aca h MET 24 Cb 0.58 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1aca h MET 24 CO 0.03 0.04 -0.45 -0.07 1.06 0.00 0.00 176.91 177.51 1aca h LEU 25 N 0.06 -1.23 -0.31 1.22 3.38 0.27 0.37 115.31 119.06 1aca h LEU 25 Ca 0.16 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.30 1aca h LEU 25 Cb 0.24 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 1aca h LEU 25 CO -0.30 -0.61 -0.40 0.15 0.09 0.00 0.00 178.44 177.37 1aca h PHE 26 N -0.90 -1.16 0.12 1.13 3.04 -0.04 0.39 116.94 119.51 1aca h PHE 26 Ca -0.04 0.06 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1aca h PHE 26 Cb 0.80 0.55 -0.03 0.00 2.56 0.00 0.00 35.95 39.83 1aca h PHE 26 CO -0.24 -0.44 -0.38 0.82 -2.02 0.00 0.00 178.31 176.05 1aca h ILE 27 N -0.36 0.00 -0.05 1.41 1.08 -0.57 0.40 117.51 119.41 1aca h ILE 27 Ca 0.12 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1aca h ILE 27 Cb 0.59 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1aca h ILE 27 CO -0.51 0.00 -0.30 0.22 -0.69 0.00 0.00 178.15 176.88 1aca h TYR 28 N -0.56 -0.88 -0.77 1.37 5.03 0.77 0.41 116.97 122.34 1aca h TYR 28 Ca -0.01 0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.43 1aca h TYR 28 Cb 0.56 0.39 -0.12 0.00 1.55 0.00 0.00 36.73 39.11 1aca h TYR 28 CO -0.39 -0.30 -0.48 0.66 -1.32 0.00 0.00 178.16 176.33 1aca h SER 29 N -0.33 -1.70 0.52 -2.11 4.64 -0.11 0.29 113.55 114.74 1aca h SER 29 Ca 0.01 0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 1aca h SER 29 Cb 0.38 0.78 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1aca h SER 29 CO -0.23 -0.30 -0.25 0.45 -0.87 0.00 0.00 176.83 175.63 1aca h HIS 30 N -0.13 -0.65 -0.62 4.77 3.86 -0.74 -0.62 115.15 121.01 1aca h HIS 30 Ca 0.20 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.50 1aca h HIS 30 Cb 0.53 0.22 -0.12 0.00 1.06 0.00 0.00 27.41 29.10 1aca h HIS 30 CO -0.83 -0.38 -0.35 -0.92 0.86 0.00 0.00 177.93 176.31 1aca h TYR 31 N -0.76 -0.97 0.56 2.45 3.20 0.70 0.19 116.97 122.35 1aca h TYR 31 Ca -0.07 0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1aca h TYR 31 Cb 0.57 0.51 0.01 0.00 1.54 0.00 0.00 36.73 39.36 1aca h TYR 31 CO -0.03 -0.39 -0.27 0.87 -1.64 0.00 0.00 178.16 176.71 1aca h LYS 32 N -0.16 -0.73 -0.48 1.82 1.79 -0.43 0.60 116.57 118.99 1aca h LYS 32 Ca 0.24 0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.83 1aca h LYS 32 Cb 0.56 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 31.31 1aca h LYS 32 CO -0.70 -0.46 0.11 0.37 -1.08 0.00 0.00 179.45 177.69 1aca h GLN 33 N -0.82 0.24 0.05 3.15 -0.00 -0.43 0.89 115.11 118.19 1aca h GLN 33 Ca -0.08 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1aca h GLN 33 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.01 1aca h GLN 33 CO 0.13 0.16 -0.11 0.00 0.00 0.00 0.00 178.83 179.01 1aca h ALA 34 N 1.36 -0.16 0.02 3.38 0.00 -0.43 -1.96 119.26 121.47 1aca h ALA 34 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1aca h ALA 34 Cb 0.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1aca h ALA 34 CO -0.29 -0.61 -0.01 1.79 0.00 0.00 0.00 179.25 180.12 1aca h THR 35 N -0.21 1.00 0.00 0.00 1.35 -0.64 -3.43 112.91 110.98 1aca h THR 35 Ca 0.02 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1aca h THR 35 Cb 0.23 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1aca h THR 35 CO -0.07 0.33 0.00 0.52 -0.25 0.00 0.00 175.52 176.04 1aca n VAL 36 N -4.72 0.00 0.00 6.82 0.31 0.30 -5.05 118.33 116.00 1aca n VAL 36 Ca -0.06 0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1aca n VAL 36 Cb 0.27 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 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 2.07 2.04 3.92 2.92 0.00 -0.74 -4.98 105.19 110.42 1aca n GLY 37 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 5.50 -0.18 1.61 1.01 -1.26 -4.29 116.67 115.07 1aca s ASP 38 Ca 0.00 0.71 -0.04 0.00 0.71 0.00 0.00 52.55 53.93 1aca s ASP 38 Cb 0.00 -1.66 -0.02 0.00 1.01 0.00 0.00 42.92 42.25 1aca s ASP 38 CO 0.00 -1.14 -0.03 -0.51 0.21 0.00 0.00 175.17 173.71 1aca s ILE 39 N -3.04 3.85 -0.20 0.77 2.07 -1.26 -4.97 121.20 118.42 1aca s ILE 39 Ca 0.55 -0.36 0.18 0.00 -1.41 0.00 0.00 60.65 59.61 1aca s ILE 39 Cb -0.11 -2.71 0.47 0.00 0.13 0.00 0.00 42.46 40.24 1aca s ILE 39 CO 0.45 0.46 1.16 -0.46 -1.91 0.00 0.00 174.94 174.65 1aca n ASN 40 N 3.91 2.29 -4.79 4.50 0.23 -1.26 -5.07 115.26 115.07 1aca n ASN 40 Ca -0.17 -2.69 -0.27 0.00 -0.53 0.00 0.00 54.58 50.91 1aca n ASN 40 Cb 0.52 -0.41 -0.06 0.00 -2.08 0.00 0.00 39.78 37.75 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 -3.09 1.80 0.57 5.53 -4.23 -1.26 -5.16 115.64 109.81 1aca s THR 41 Ca 0.36 -1.73 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1aca s THR 41 Cb 0.36 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.75 1aca s THR 41 CO -0.05 0.00 0.66 -1.83 -0.54 0.00 0.00 174.62 172.85 1aca s GLU 42 N -4.00 2.26 -0.99 3.99 -1.05 -1.26 -5.07 118.70 112.57 1aca s GLU 42 Ca 0.29 -1.82 -0.08 0.00 -0.15 0.00 0.00 54.97 53.21 1aca s GLU 42 Cb 0.02 -2.42 0.25 0.00 -0.44 0.00 0.00 34.13 31.53 1aca s GLU 42 CO 0.17 -0.81 0.95 1.03 0.95 0.00 0.00 175.26 177.55 1aca s ARG 43 N -4.54 3.83 0.00 -4.83 0.52 -1.26 -4.84 118.95 107.84 1aca s ARG 43 Ca 0.51 -3.05 -0.00 0.00 -0.52 0.00 0.00 55.73 52.66 1aca s ARG 43 Cb -0.04 -4.37 -0.00 0.00 0.52 0.00 0.00 34.95 31.05 1aca s ARG 43 CO 0.32 -1.25 -0.00 -2.30 0.02 0.00 0.00 175.30 172.09 1aca n PRO 44 N 2.91 0.00 0.00 3.54 -0.02 -1.26 -4.65 135.00 135.52 1aca n PRO 44 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1aca n PRO 44 Cb 0.40 -0.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 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 0.02 -0.02 0.11 -1.23 0.00 -1.26 -4.06 105.19 98.74 1aca n GLY 45 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.01 -0.09 -1.78 1.61 0.00 -1.26 -0.06 117.12 113.53 1aca n MET 46 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 57.70 58.02 1aca n MET 46 Cb 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 33.22 32.70 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 -4.35 3.16 0.00 3.17 4.32 -1.26 -5.02 117.00 117.02 1aca n LEU 47 Ca 0.01 -3.82 0.00 0.00 -0.02 0.00 0.00 56.01 52.18 1aca n LEU 47 Cb 0.08 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1aca n LEU 47 CO -0.04 1.50 0.00 -0.67 -1.22 0.00 0.00 177.39 176.96 1aca n ASP 48 N -0.63 0.00 -0.33 -1.43 -0.08 0.91 0.02 116.55 115.01 1aca n ASP 48 Ca 0.25 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.74 1aca n ASP 48 Cb 0.89 0.00 0.43 0.00 2.34 0.00 0.00 41.12 44.78 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 0.82 0.00 -0.67 -5.15 -1.88 0.27 116.94 110.33 1aca h PHE 49 Ca 0.00 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 1aca h PHE 49 Cb 0.00 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 35.97 1aca h PHE 49 CO 0.00 -0.17 0.00 1.17 -2.00 0.00 0.00 178.31 177.31 1aca n LYS 50 N -5.08 0.98 0.13 6.09 4.81 0.10 -3.46 118.16 121.73 1aca n LYS 50 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1aca n LYS 50 Cb 0.91 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.92 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 0.51 -0.27 0.44 3.14 0.00 0.47 -4.73 105.19 104.76 1aca n GLY 51 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.68 -0.34 1.61 1.57 -0.79 -1.31 116.57 116.63 1aca h LYS 52 Ca 0.00 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1aca h LYS 52 Cb 0.01 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1aca h LYS 52 CO 0.00 -0.45 -0.20 0.00 -0.57 0.00 0.00 179.45 178.23 1aca n ALA 53 N -2.87 -0.22 -0.21 3.86 0.00 -1.22 0.15 120.51 120.00 1aca n ALA 53 Ca -0.08 0.29 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 1aca n ALA 53 Cb 0.40 0.05 0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 0.01 0.00 0.00 1.57 -1.59 0.27 116.57 116.83 1aca h LYS 54 Ca 0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1aca h LYS 54 Cb 0.14 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1aca h LYS 54 CO -0.32 0.01 0.00 1.87 -0.57 0.00 0.00 179.45 180.44 1aca n TRP 55 N -5.41 0.00 -0.22 -1.35 -0.00 0.39 -0.23 117.44 110.63 1aca n TRP 55 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.65 1aca n TRP 55 Cb 0.33 -0.14 0.15 0.00 -0.00 0.00 0.00 31.31 31.66 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 -0.91 -0.12 0.29 5.87 8.00 0.29 0.79 116.55 130.77 1aca n ASP 56 Ca 0.00 1.05 -0.14 0.00 0.71 0.00 0.00 54.79 56.41 1aca n ASP 56 Cb 0.00 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 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 1.23 -0.78 -0.61 2.24 0.00 -0.42 -3.21 119.26 117.72 1aca h ALA 57 Ca 0.35 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1aca h ALA 57 Cb 0.68 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1aca h ALA 57 CO -0.60 -0.77 0.35 2.35 0.00 0.00 0.00 179.25 180.59 1aca h TRP 58 N -1.12 0.66 0.00 0.00 7.01 0.24 -1.46 115.95 121.28 1aca h TRP 58 Ca -0.08 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1aca h TRP 58 Cb 0.64 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1aca h TRP 58 CO 0.01 0.35 0.56 -0.97 -2.79 0.00 0.00 178.44 175.59 1aca h ASN 59 N 0.68 0.00 0.01 2.65 -0.00 0.33 0.49 115.58 119.74 1aca h ASN 59 Ca 0.26 0.00 -0.38 0.00 -0.00 0.00 0.00 56.30 56.17 1aca h ASN 59 Cb 0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.34 1aca h ASN 59 CO -0.14 0.00 -2.44 1.21 -0.00 0.00 0.00 177.43 176.06 1aca n GLU 60 N -2.08 0.66 0.06 6.67 4.07 -0.55 -4.55 120.64 124.91 1aca n GLU 60 Ca -0.01 0.11 -0.12 0.00 -0.06 0.00 0.00 57.16 57.09 1aca n GLU 60 Cb 0.57 -1.53 -0.02 0.00 -0.06 0.00 0.00 31.44 30.41 1aca n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1aca h LEU 61 N 0.00 0.52 0.00 4.31 3.38 -0.09 -3.40 115.31 120.03 1aca h LEU 61 Ca -0.57 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1aca h LEU 61 Cb 1.99 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1aca h LEU 61 CO -0.05 1.16 0.00 1.17 0.09 0.00 0.00 178.44 180.81 1aca n LYS 62 N -3.79 0.00 -1.26 1.13 4.81 -0.22 0.12 118.16 118.96 1aca n LYS 62 Ca -0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.09 1aca n LYS 62 Cb 0.78 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.95 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 -0.49 5.16 4.00 3.14 0.00 -1.26 -3.98 105.19 111.76 1aca n GLY 63 Ca 0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.01 2.89 -0.25 2.61 2.01 0.33 -5.07 115.64 114.14 1aca s THR 64 Ca 0.60 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 1aca s THR 64 Cb 0.48 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1aca s THR 64 CO 0.04 0.00 0.25 -0.94 -0.69 0.00 0.00 174.62 173.28 1aca s SER 65 N -4.38 6.16 0.28 3.53 1.04 -1.26 -4.96 113.70 114.11 1aca s SER 65 Ca 0.56 0.17 0.15 0.00 0.48 0.00 0.00 55.95 57.31 1aca s SER 65 Cb -0.10 -2.15 1.01 0.00 0.10 0.00 0.00 66.02 64.88 1aca s SER 65 CO 0.35 -0.05 1.20 0.29 0.98 0.00 0.00 173.24 176.01 1aca n LYS 66 N 4.78 -0.05 -0.00 4.02 5.02 -1.26 -1.57 118.16 129.10 1aca n LYS 66 Ca -0.12 1.05 -0.13 0.00 -2.02 0.00 0.00 58.31 57.09 1aca n LYS 66 Cb 0.52 -1.88 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 1aca n LYS 66 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1aca h GLU 67 N 0.00 -0.00 -0.90 1.97 4.22 -1.93 -2.72 114.58 115.23 1aca h GLU 67 Ca 0.64 0.00 0.19 0.00 0.08 0.00 0.00 59.36 60.26 1aca h GLU 67 Cb 1.68 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.82 1aca h GLU 67 CO -0.59 0.37 0.45 -0.44 -2.18 0.00 0.00 179.01 176.63 1aca h ASP 68 N -0.37 0.50 -0.25 1.04 3.32 -1.71 0.94 116.42 119.89 1aca h ASP 68 Ca -0.00 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1aca h ASP 68 Cb 0.37 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1aca h ASP 68 CO 0.00 0.14 -0.09 0.00 -1.72 0.00 0.00 179.24 177.57 1aca h ALA 69 N 1.64 0.13 0.28 3.45 0.00 -1.50 -2.70 119.26 120.56 1aca h ALA 69 Ca 0.53 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1aca h ALA 69 Cb 0.88 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1aca h ALA 69 CO -0.43 -0.50 -0.43 0.52 0.00 0.00 0.00 179.25 178.40 1aca h MET 70 N -0.04 -0.75 -0.46 0.00 2.86 0.11 0.44 114.93 117.09 1aca h MET 70 Ca 0.12 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.92 1aca h MET 70 Cb 0.23 0.17 -0.09 0.00 0.06 0.00 0.00 31.60 31.98 1aca h MET 70 CO -0.28 -0.50 -0.05 1.63 1.06 0.00 0.00 176.91 178.77 1aca n LYS 71 N -5.49 -0.04 -0.13 1.72 5.02 0.21 -0.16 118.16 119.29 1aca n LYS 71 Ca -0.09 0.70 -0.22 0.00 -2.02 0.00 0.00 58.31 56.68 1aca n LYS 71 Cb 0.40 -1.08 -0.11 0.00 -0.02 0.00 0.00 35.03 34.22 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 -3.64 1.33 -0.29 7.82 0.00 -1.18 -4.21 120.51 120.35 1aca n ALA 72 Ca 0.09 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.38 1aca n ALA 72 Cb 0.29 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 -3.59 -0.30 0.00 0.00 9.36 0.15 0.07 117.16 122.86 1aca n TYR 73 Ca -0.48 0.86 -0.07 0.00 3.32 0.00 0.00 57.90 61.53 1aca n TYR 73 Cb 0.96 -0.54 -0.04 0.00 -0.63 0.00 0.00 39.34 39.08 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 -0.81 2.97 2.04 -1.20 0.27 117.51 120.78 1aca h ILE 74 Ca 0.11 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.15 1aca h ILE 74 Cb 0.28 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.21 1aca h ILE 74 CO -0.64 0.00 -0.07 0.44 0.00 0.00 0.00 178.15 177.88 1aca h ASP 75 N -0.27 -0.51 -1.00 1.72 5.19 -1.45 0.60 116.42 120.70 1aca h ASP 75 Ca 0.01 0.23 0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1aca h ASP 75 Cb 0.31 0.42 -0.05 0.00 0.18 0.00 0.00 39.33 40.19 1aca h ASP 75 CO -0.18 -0.24 0.65 0.50 -3.12 0.00 0.00 179.24 176.85 1aca h LYS 76 N 0.05 1.32 0.53 3.56 1.63 0.52 0.16 116.57 124.34 1aca h LYS 76 Ca 0.43 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 1aca h LYS 76 Cb 0.76 -0.29 0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1aca h LYS 76 CO -0.77 0.88 -0.26 0.28 -3.45 0.00 0.00 179.45 176.13 1aca h VAL 77 N 1.35 0.27 -0.75 2.00 2.07 0.35 -0.07 116.25 121.48 1aca h VAL 77 Ca 0.36 -0.43 0.17 0.00 0.82 0.00 0.00 66.70 67.62 1aca h VAL 77 Cb -0.14 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 29.90 1aca h VAL 77 CO -0.08 0.04 0.16 -0.08 0.02 0.00 0.00 177.57 177.64 1aca h GLU 78 N -1.05 0.24 0.19 1.57 4.57 0.06 0.66 114.58 120.81 1aca h GLU 78 Ca -0.07 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1aca h GLU 78 Cb 0.62 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 1aca h GLU 78 CO 0.12 0.16 -0.27 0.93 -1.18 0.00 0.00 179.01 178.77 1aca h GLU 79 N 0.24 -0.50 -0.29 1.92 4.39 -0.50 -2.79 114.58 117.05 1aca h GLU 79 Ca 0.42 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.22 1aca h GLU 79 Cb 0.74 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.42 1aca h GLU 79 CO -0.54 -0.33 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.58 1aca h LEU 80 N -0.52 -1.06 -1.00 1.33 3.38 0.21 0.14 115.31 117.79 1aca h LEU 80 Ca 0.01 0.17 0.39 0.00 0.09 0.00 0.00 57.88 58.54 1aca h LEU 80 Cb 0.51 0.48 -0.15 0.00 0.09 0.00 0.00 40.66 41.59 1aca h LEU 80 CO -0.11 -0.34 0.58 1.17 0.09 0.00 0.00 178.44 179.83 1aca n LYS 81 N -5.41 -0.05 -0.07 1.13 4.81 0.10 0.07 118.16 118.74 1aca n LYS 81 Ca -0.01 1.19 -0.07 0.00 -0.87 0.00 0.00 58.31 58.54 1aca n LYS 81 Cb 0.33 -2.20 -0.05 0.00 0.02 0.00 0.00 35.03 33.14 1aca n LYS 81 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1aca h LYS 82 N 0.00 0.00 -0.73 1.64 3.64 -1.09 0.76 116.57 120.78 1aca h LYS 82 Ca 0.76 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 60.28 1aca h LYS 82 Cb 2.16 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 33.85 1aca h LYS 82 CO -0.60 0.35 -0.22 0.87 -2.27 0.00 0.00 179.45 177.59 1aca h LYS 83 N -1.00 -0.03 0.01 1.90 1.57 0.15 -3.03 116.57 116.14 1aca h LYS 83 Ca -0.06 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.31 1aca h LYS 83 Cb 0.55 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 1aca h LYS 83 CO -0.03 -0.02 -2.45 0.66 -0.57 0.00 0.00 179.45 177.03 1aca n TYR 84 N -5.48 0.09 0.00 -1.35 4.01 0.11 -5.05 117.16 109.48 1aca n TYR 84 Ca 0.09 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1aca n TYR 84 Cb 0.38 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 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 1.84 0.24 0.00 2.72 0.00 0.22 -4.37 105.19 105.83 1aca n GLY 85 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83