#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 1.53 -0.22 1.43 0.74 -1.26 -4.05 119.66 117.83 1aca s GLN 2 Ca 0.00 -0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.31 1aca s GLN 2 Cb 0.00 -4.93 -0.15 0.00 1.10 0.00 0.00 33.01 29.03 1aca s GLN 2 CO 0.00 -4.84 -0.18 0.00 -0.55 0.00 0.00 175.29 169.71 1aca n ALA 3 N 18.52 1.53 -0.21 1.58 0.00 -1.26 -4.53 120.51 136.15 1aca n ALA 3 Ca 0.44 -0.94 0.15 0.00 0.00 0.00 0.00 53.44 53.08 1aca n ALA 3 Cb 0.45 -0.01 0.28 0.00 0.00 0.00 0.00 19.45 20.17 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 -3.12 -0.04 0.12 0.00 4.71 -1.26 0.12 120.64 121.17 1aca n GLU 4 Ca -0.38 0.89 -0.13 0.00 -0.01 0.00 0.00 57.16 57.53 1aca n GLU 4 Cb 0.92 -1.51 -0.08 0.00 -1.01 0.00 0.00 31.44 29.76 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 -0.31 -0.88 -0.32 3.57 -1.93 -2.14 116.94 114.94 1aca h PHE 5 Ca 0.45 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.96 1aca h PHE 5 Cb 1.10 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1aca h PHE 5 CO -0.16 0.03 0.58 -0.44 -2.23 0.00 0.00 178.31 176.10 1aca h ASP 6 N -0.67 1.00 -0.20 0.41 3.32 0.67 0.15 116.42 121.09 1aca h ASP 6 Ca -0.03 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.05 1aca h ASP 6 Cb 0.47 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 1aca h ASP 6 CO 0.06 0.72 -0.19 0.50 -1.72 0.00 0.00 179.24 178.60 1aca h LYS 7 N 1.18 -0.20 0.20 3.56 3.64 -0.72 0.31 116.57 124.55 1aca h LYS 7 Ca 0.33 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1aca h LYS 7 Cb -0.11 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1aca h LYS 7 CO -0.08 -0.13 -0.30 0.00 -2.27 0.00 0.00 179.45 176.67 1aca h ALA 8 N 0.87 -0.57 -1.46 5.00 0.00 -0.38 0.13 119.26 122.85 1aca h ALA 8 Ca 0.12 -0.07 0.47 0.00 0.00 0.00 0.00 54.91 55.44 1aca h ALA 8 Cb 0.39 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1aca h ALA 8 CO -0.33 -0.87 0.97 0.00 0.00 0.00 0.00 179.25 179.03 1aca h ALA 9 N 0.05 3.00 0.00 0.00 0.00 0.12 0.53 119.26 122.96 1aca h ALA 9 Ca 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1aca h ALA 9 Cb 0.57 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1aca h ALA 9 CO -0.12 -1.63 -0.46 0.93 0.00 0.00 0.00 179.25 177.97 1aca h GLU 10 N 0.04 0.00 -0.85 0.00 4.39 -0.41 -2.55 114.58 115.19 1aca h GLU 10 Ca 0.85 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.64 1aca h GLU 10 Cb 2.88 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 31.42 1aca h GLU 10 CO -0.34 0.45 -0.57 0.93 -1.16 0.00 0.00 179.01 178.32 1aca h GLU 11 N -1.00 -0.09 -0.81 2.33 4.39 0.21 0.27 114.58 119.87 1aca h GLU 11 Ca -0.09 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.68 1aca h GLU 11 Cb 0.67 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 1aca h GLU 11 CO -0.05 -0.06 0.49 -0.24 -1.16 0.00 0.00 179.01 177.99 1aca h VAL 12 N -0.10 1.02 0.00 3.13 3.04 -0.26 0.27 116.25 123.35 1aca h VAL 12 Ca 0.15 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1aca h VAL 12 Cb 0.46 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 1aca h VAL 12 CO -0.86 0.16 0.00 0.29 -1.01 0.00 0.00 177.57 176.16 1aca n LYS 13 N -4.67 0.40 -0.25 4.17 5.02 0.86 -0.32 118.16 123.37 1aca n LYS 13 Ca 0.11 0.03 0.10 0.00 -2.02 0.00 0.00 58.31 56.53 1aca n LYS 13 Cb 0.18 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.06 0.66 -1.95 2.13 8.25 0.95 -4.76 115.22 119.43 1aca n HIS 14 Ca 0.10 -0.41 -0.34 0.00 -0.26 0.00 0.00 57.72 56.81 1aca n HIS 14 Cb 0.06 -0.01 -0.05 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 1.21 3.66 -0.02 2.41 4.77 0.57 -4.74 117.00 124.86 1aca n LEU 15 Ca 0.18 -3.26 0.07 0.00 -0.03 0.00 0.00 56.01 52.97 1aca n LEU 15 Cb 0.54 -1.62 0.11 0.00 -2.33 0.00 0.00 43.42 40.12 1aca n LEU 15 CO 0.13 -1.16 0.42 2.29 -1.33 0.00 0.00 177.39 177.73 1aca n LYS 16 N 7.97 0.01 -3.82 3.23 2.85 -1.26 -3.79 118.16 123.35 1aca n LYS 16 Ca 0.47 0.35 -0.30 0.00 -1.05 0.00 0.00 58.31 57.78 1aca n LYS 16 Cb 0.45 -0.89 -0.14 0.00 -0.65 0.00 0.00 35.03 33.80 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1aca s THR 17 N -2.65 1.69 0.00 0.58 2.01 -1.26 -5.06 115.64 110.95 1aca s THR 17 Ca -0.01 -2.40 0.00 0.00 0.31 0.00 0.00 61.69 59.59 1aca s THR 17 Cb 0.04 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1aca s THR 17 CO 0.12 -0.77 0.00 1.17 -0.69 0.00 0.00 174.62 174.45 1aca n LYS 18 N 3.89 0.00 -0.85 4.92 4.81 -1.25 -4.79 118.16 124.89 1aca n LYS 18 Ca 0.05 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.13 1aca n LYS 18 Cb 0.37 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.52 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1aca n PRO 19 N 0.00 -0.67 -1.58 1.64 -0.02 -1.26 -4.65 135.00 128.46 1aca n PRO 19 Ca 0.00 -0.19 -0.54 0.00 -2.02 0.00 0.00 63.50 60.75 1aca n PRO 19 Cb 0.00 -1.34 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 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 -3.80 -1.48 0.31 3.55 0.00 -1.26 -4.53 120.51 113.30 1aca n ALA 20 Ca -0.00 0.53 0.10 0.00 0.00 0.00 0.00 53.44 54.06 1aca n ALA 20 Cb 0.67 -2.02 0.53 0.00 0.00 0.00 0.00 19.45 18.63 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 4.43 0.00 -0.13 0.00 3.32 -1.98 0.67 116.42 122.73 1aca h ASP 21 Ca -0.48 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.36 1aca h ASP 21 Cb 1.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.91 1aca h ASP 21 CO 0.77 0.00 -0.74 -0.33 -1.72 0.00 0.00 179.24 177.22 1aca h GLU 22 N 0.00 0.74 0.10 3.56 5.08 -1.97 0.78 114.58 122.87 1aca h GLU 22 Ca 0.00 -0.61 -0.27 0.00 -1.00 0.00 0.00 59.36 57.47 1aca h GLU 22 Cb 1.05 0.13 0.02 0.00 0.50 0.00 0.00 28.75 30.45 1aca h GLU 22 CO 0.00 1.22 -1.17 0.93 -1.00 0.00 0.00 179.01 178.99 1aca h GLU 23 N 0.44 0.46 -0.10 2.33 5.08 -0.06 -0.36 114.58 122.38 1aca h GLU 23 Ca -0.05 -0.63 -0.01 0.00 -1.00 0.00 0.00 59.36 57.67 1aca h GLU 23 Cb 1.37 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 1aca h GLU 23 CO 0.15 1.26 0.01 0.52 -1.00 0.00 0.00 179.01 179.95 1aca h MET 24 N 0.20 0.17 0.00 2.33 2.86 -0.96 -1.99 114.93 117.55 1aca h MET 24 Ca -0.15 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1aca h MET 24 Cb 1.85 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.49 1aca h MET 24 CO 0.21 0.40 0.00 1.28 1.06 0.00 0.00 176.91 179.86 1aca n LEU 25 N -4.84 0.00 -0.31 1.22 4.77 0.27 -0.01 117.00 118.10 1aca n LEU 25 Ca -0.06 0.92 -0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1aca n LEU 25 Cb 0.18 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1aca n LEU 25 CO 0.35 -0.42 0.49 0.15 -1.33 0.00 0.00 177.39 176.62 1aca h PHE 26 N 0.00 -1.82 -0.04 -1.77 3.04 -0.96 -2.41 116.94 112.98 1aca h PHE 26 Ca 0.00 0.11 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1aca h PHE 26 Cb 0.00 0.90 -0.04 0.00 2.56 0.00 0.00 35.95 39.37 1aca h PHE 26 CO -0.77 -0.42 -0.32 0.82 -2.02 0.00 0.00 178.31 175.60 1aca h ILE 27 N -0.15 0.00 -0.62 1.41 1.08 -0.91 0.17 117.51 118.49 1aca h ILE 27 Ca 0.13 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.68 1aca h ILE 27 Cb 0.48 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.13 1aca h ILE 27 CO -0.81 0.00 -0.50 0.22 -0.69 0.00 0.00 178.15 176.37 1aca h TYR 28 N -0.37 -1.51 0.30 1.37 3.20 -0.12 0.32 116.97 120.16 1aca h TYR 28 Ca 0.01 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1aca h TYR 28 Cb 0.41 0.75 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1aca h TYR 28 CO -0.49 -0.43 -0.15 0.77 -1.64 0.00 0.00 178.16 176.22 1aca h SER 29 N -0.23 -0.35 -0.59 -2.11 0.02 -1.28 0.62 113.55 109.63 1aca h SER 29 Ca 0.15 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 1aca h SER 29 Cb 0.55 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 1aca h SER 29 CO -0.72 -0.23 0.26 0.45 -1.14 0.00 0.00 176.83 175.44 1aca h HIS 30 N -0.43 0.45 0.00 3.45 3.86 -0.00 0.51 115.15 122.99 1aca h HIS 30 Ca -0.04 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1aca h HIS 30 Cb 0.33 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1aca h HIS 30 CO -0.05 0.16 0.00 0.98 0.86 0.00 0.00 177.93 179.88 1aca n TYR 31 N -4.94 0.00 -0.28 2.45 9.36 0.11 -1.47 117.16 122.39 1aca n TYR 31 Ca 0.08 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.41 1aca n TYR 31 Cb 0.23 -0.35 0.22 0.00 -0.63 0.00 0.00 39.34 38.81 1aca n TYR 31 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1aca n LYS 32 N -1.71 -0.06 0.02 2.98 4.76 0.21 0.32 118.16 124.68 1aca n LYS 32 Ca 0.00 1.20 -0.13 0.00 -2.87 0.00 0.00 58.31 56.51 1aca n LYS 32 Cb 0.00 -1.89 -0.09 0.00 -1.84 0.00 0.00 35.03 31.21 1aca n LYS 32 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1aca h GLN 33 N 0.00 -0.03 -0.65 1.97 -0.00 -0.77 1.46 115.11 117.08 1aca h GLN 33 Ca 0.47 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 59.22 1aca h GLN 33 Cb 0.95 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.37 1aca h GLN 33 CO -0.76 0.24 0.27 0.00 0.00 0.00 0.00 178.83 178.58 1aca h ALA 34 N 0.67 0.87 0.06 3.38 0.00 0.10 -1.52 119.26 122.82 1aca h ALA 34 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1aca h ALA 34 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1aca h ALA 34 CO 0.01 -0.15 -0.03 1.79 0.00 0.00 0.00 179.25 180.86 1aca h THR 35 N 0.47 0.00 0.00 0.00 1.35 -0.65 -3.44 112.91 110.64 1aca h THR 35 Ca 0.33 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1aca h THR 35 Cb 0.40 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1aca h THR 35 CO -0.31 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.48 1aca n VAL 36 N -3.83 0.00 0.00 6.82 0.31 0.49 -5.04 118.33 117.08 1aca n VAL 36 Ca -0.01 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1aca n VAL 36 Cb 0.03 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 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 2.05 1.84 3.72 2.92 0.00 -0.57 -4.96 105.19 110.18 1aca n GLY 37 Ca 0.00 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 6.87 -0.04 1.61 1.01 -1.24 -4.28 116.67 116.59 1aca s ASP 38 Ca 0.00 1.05 -0.30 0.00 0.71 0.00 0.00 52.55 54.01 1aca s ASP 38 Cb 0.00 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1aca s ASP 38 CO 0.00 -0.08 1.58 -0.51 0.21 0.00 0.00 175.17 176.37 1aca s ILE 39 N 0.78 3.61 -0.27 0.77 2.07 -1.26 -4.87 121.20 122.03 1aca s ILE 39 Ca 0.33 0.81 0.15 0.00 -1.41 0.00 0.00 60.65 60.53 1aca s ILE 39 Cb -0.17 -3.52 0.48 0.00 0.13 0.00 0.00 42.46 39.38 1aca s ILE 39 CO 0.15 -0.06 1.15 -0.46 -1.91 0.00 0.00 174.94 173.82 1aca n ASN 40 N 6.69 3.18 -2.07 4.50 0.23 -1.26 -5.06 115.26 121.46 1aca n ASN 40 Ca 0.16 -2.91 -0.06 0.00 -0.53 0.00 0.00 54.58 51.25 1aca n ASN 40 Cb 0.43 -0.41 -0.02 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 -0.64 0.00 -3.54 5.53 -2.24 -1.26 -5.18 114.28 106.94 1aca n THR 41 Ca 0.25 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1aca n THR 41 Cb 0.89 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.35 2.47 -1.08 -0.78 2.02 -1.26 -5.13 118.70 112.59 1aca s GLU 42 Ca 0.04 -1.62 -0.07 0.00 0.02 0.00 0.00 54.97 53.33 1aca s GLU 42 Cb 0.00 -2.37 0.28 0.00 0.10 0.00 0.00 34.13 32.14 1aca s GLU 42 CO 0.03 -0.34 1.15 -2.13 0.02 0.00 0.00 175.26 173.99 1aca n ARG 43 N -1.67 3.62 -0.83 1.61 0.63 -1.26 -4.74 116.66 114.02 1aca n ARG 43 Ca 0.04 -4.48 -0.34 0.00 -0.92 0.00 0.00 57.85 52.15 1aca n ARG 43 Cb 0.62 -2.52 0.11 0.00 0.45 0.00 0.00 32.46 31.11 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 2.35 -0.41 0.07 -0.14 -0.02 -1.26 -4.80 135.00 130.79 1aca n PRO 44 Ca 0.24 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1aca n PRO 44 Cb 0.38 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.09 -0.12 0.00 -1.23 0.00 -1.26 -4.10 105.19 100.57 1aca n GLY 45 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.24 0.00 0.00 1.61 0.00 -1.26 0.38 117.12 114.61 1aca n MET 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1aca n MET 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -2.53 1.11 -3.83 3.17 4.32 -1.26 -4.97 117.00 113.01 1aca n LEU 47 Ca 0.00 -1.11 -0.26 0.00 -0.02 0.00 0.00 56.01 54.62 1aca n LEU 47 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1aca n LEU 47 CO 0.00 0.28 -0.16 0.47 -1.22 0.00 0.00 177.39 176.76 1aca n ASP 48 N -0.17 -1.69 0.00 -1.43 8.00 0.16 -4.95 116.55 116.47 1aca n ASP 48 Ca 0.00 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1aca n ASP 48 Cb 0.17 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 1aca n ASP 48 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1aca n PHE 49 N -4.32 0.00 0.21 1.24 3.01 -1.26 -4.03 117.46 112.31 1aca n PHE 49 Ca -0.26 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.27 1aca n PHE 49 Cb 0.66 0.00 0.36 0.00 -0.01 0.00 0.00 39.48 40.49 1aca n PHE 49 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1aca h LYS 50 N 0.00 0.00 0.00 -1.08 3.64 -1.95 -1.55 116.57 115.62 1aca h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1aca h LYS 50 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1aca h LYS 50 CO 0.00 0.00 -0.09 0.78 -2.27 0.00 0.00 179.45 177.87 1aca h GLY 51 N 0.00 0.00 0.07 5.01 0.00 -1.94 -3.41 103.07 102.80 1aca h GLY 51 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1aca h GLY 51 CO 0.00 0.00 -2.27 1.17 0.00 0.00 0.00 176.54 175.44 1aca n LYS 52 N -3.12 0.62 -0.07 4.80 0.00 -1.00 -3.70 118.16 115.71 1aca n LYS 52 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 58.31 58.56 1aca n LYS 52 Cb 0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 35.03 33.51 1aca n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aca n ALA 53 N -3.70 -0.07 0.07 3.14 0.00 -0.62 0.19 120.51 119.53 1aca n ALA 53 Ca -0.46 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 1aca n ALA 53 Cb 0.90 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.26 -0.47 0.00 1.79 -1.74 0.65 116.57 116.54 1aca h LYS 54 Ca 0.04 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1aca h LYS 54 Cb 0.08 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1aca h LYS 54 CO -0.16 -0.17 -0.29 2.35 -1.08 0.00 0.00 179.45 180.10 1aca h TRP 55 N -0.27 -0.92 -1.00 -1.35 7.01 0.21 1.27 115.95 120.90 1aca h TRP 55 Ca -0.01 0.06 0.24 0.00 2.11 0.00 0.00 58.89 61.29 1aca h TRP 55 Cb 0.24 0.46 -0.09 0.00 -2.10 0.00 0.00 29.16 27.67 1aca h TRP 55 CO -0.16 -0.18 0.64 -0.44 -2.79 0.00 0.00 178.44 175.51 1aca h ASP 56 N -0.01 0.47 0.67 2.65 3.32 -0.04 0.50 116.42 123.98 1aca h ASP 56 Ca 0.08 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1aca h ASP 56 Cb 0.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1aca h ASP 56 CO -0.45 0.13 -0.93 0.00 -1.72 0.00 0.00 179.24 176.27 1aca n ALA 57 N -2.47 3.04 -0.11 3.45 0.00 0.23 -4.08 120.51 120.56 1aca n ALA 57 Ca 0.23 -0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1aca n ALA 57 Cb 0.79 -1.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 1aca n ALA 57 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1aca n TRP 58 N -2.17 0.27 -0.05 0.00 -0.00 0.38 -4.11 117.44 111.77 1aca n TRP 58 Ca 0.02 0.07 0.25 0.00 -0.00 0.00 0.00 57.50 57.83 1aca n TRP 58 Cb 0.47 -1.03 0.70 0.00 -0.00 0.00 0.00 31.31 31.44 1aca n TRP 58 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1aca h ASN 59 N -0.17 0.00 0.38 5.87 -1.24 -0.26 0.89 115.58 121.04 1aca h ASN 59 Ca -0.56 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.30 1aca h ASN 59 Cb 1.86 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.90 1aca h ASN 59 CO -0.11 0.00 -0.63 -0.08 -1.29 0.00 0.00 177.43 175.32 1aca h GLU 60 N 0.00 0.24 0.05 6.67 4.81 -1.71 -3.25 114.58 121.38 1aca h GLU 60 Ca 0.32 -0.17 -0.30 0.00 -0.13 0.00 0.00 59.36 59.07 1aca h GLU 60 Cb 1.63 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.00 1aca h GLU 60 CO -0.00 0.79 -1.69 -0.07 -0.73 0.00 0.00 179.01 177.31 1aca h LEU 61 N 0.18 0.15 0.00 1.64 3.38 0.40 -3.44 115.31 117.62 1aca h LEU 61 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1aca h LEU 61 Cb 1.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1aca h LEU 61 CO 0.10 1.26 0.00 1.17 0.09 0.00 0.00 178.44 181.06 1aca n LYS 62 N -3.22 0.00 -1.52 1.13 4.81 0.95 0.19 118.16 120.50 1aca n LYS 62 Ca -0.19 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 56.99 1aca n LYS 62 Cb 1.04 0.00 0.08 0.00 0.02 0.00 0.00 35.03 36.17 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 -0.50 5.88 3.77 3.14 0.00 -1.26 -3.73 105.19 112.50 1aca n GLY 63 Ca 0.00 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 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 -4.44 5.42 -0.12 2.61 2.01 0.50 -5.03 115.64 116.60 1aca s THR 64 Ca 0.56 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 1aca s THR 64 Cb 0.46 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1aca s THR 64 CO 0.02 0.49 1.65 -0.44 -0.69 0.00 0.00 174.62 175.65 1aca s SER 65 N -0.06 6.54 0.06 3.53 0.01 -1.26 -4.78 113.70 117.74 1aca s SER 65 Ca 0.11 2.02 0.02 0.00 1.31 0.00 0.00 55.95 59.41 1aca s SER 65 Cb -0.12 -2.53 0.19 0.00 0.21 0.00 0.00 66.02 63.78 1aca s SER 65 CO 0.01 -1.06 0.27 0.29 0.41 0.00 0.00 173.24 173.15 1aca n LYS 66 N 7.34 -0.01 -0.05 12.44 5.02 -1.26 0.39 118.16 142.03 1aca n LYS 66 Ca 0.18 0.25 -0.14 0.00 -2.02 0.00 0.00 58.31 56.58 1aca n LYS 66 Cb 0.44 -0.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.95 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 0.44 -0.65 1.97 5.08 -1.88 -3.08 114.58 116.45 1aca h GLU 67 Ca 0.13 -0.29 0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1aca h GLU 67 Cb 0.32 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 1aca h GLU 67 CO -0.14 0.90 0.20 -0.44 -1.00 0.00 0.00 179.01 178.52 1aca h ASP 68 N 0.04 0.13 -0.03 1.42 5.19 -0.43 0.10 116.42 122.85 1aca h ASP 68 Ca 0.00 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.55 1aca h ASP 68 Cb 0.89 0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.46 1aca h ASP 68 CO 0.06 0.06 -0.46 0.00 -3.12 0.00 0.00 179.24 175.78 1aca h ALA 69 N 1.49 -0.75 -0.70 3.45 0.00 -1.54 -2.23 119.26 118.98 1aca h ALA 69 Ca 0.35 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1aca h ALA 69 Cb 0.50 0.83 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 1aca h ALA 69 CO -0.39 -1.01 -0.46 0.52 0.00 0.00 0.00 179.25 177.92 1aca h MET 70 N -0.59 -0.16 -0.54 0.00 2.86 -0.78 0.28 114.93 115.99 1aca h MET 70 Ca 0.04 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.84 1aca h MET 70 Cb 0.68 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.27 1aca h MET 70 CO -0.35 -0.11 -0.01 1.17 1.06 0.00 0.00 176.91 178.67 1aca n LYS 71 N -5.39 -0.04 -0.12 1.72 0.00 -0.34 -0.70 118.16 113.29 1aca n LYS 71 Ca 0.03 0.82 -0.23 0.00 0.00 0.00 0.00 58.31 58.93 1aca n LYS 71 Cb 0.34 -1.29 -0.11 0.00 0.00 0.00 0.00 35.03 33.97 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aca n ALA 72 N -3.44 1.23 -0.27 3.14 0.00 -0.62 -3.82 120.51 116.73 1aca n ALA 72 Ca 0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 53.44 52.54 1aca n ALA 72 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.73 -0.10 0.31 0.00 9.36 0.87 0.15 117.16 124.02 1aca n TYR 73 Ca -0.46 0.84 -0.17 0.00 3.32 0.00 0.00 57.90 61.43 1aca n TYR 73 Cb 0.94 -0.68 -0.08 0.00 -0.63 0.00 0.00 39.34 38.88 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 0.33 -0.95 2.97 2.04 -1.25 0.28 117.51 120.93 1aca h ILE 74 Ca 0.19 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.25 1aca h ILE 74 Cb 0.36 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.66 1aca h ILE 74 CO -0.66 0.00 0.53 0.44 0.00 0.00 0.00 178.15 178.46 1aca h ASP 75 N -0.82 0.62 -0.00 1.72 5.19 -0.39 0.53 116.42 123.26 1aca h ASP 75 Ca -0.06 0.12 -0.17 0.00 -0.62 0.00 0.00 57.03 56.29 1aca h ASP 75 Cb 0.67 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 1aca h ASP 75 CO 0.07 0.16 -0.57 0.50 -3.12 0.00 0.00 179.24 176.28 1aca h LYS 76 N 0.62 0.60 -0.25 3.56 1.63 0.04 -0.13 116.57 122.64 1aca h LYS 76 Ca 0.57 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1aca h LYS 76 Cb 0.97 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.64 1aca h LYS 76 CO -0.43 1.00 0.09 0.28 -3.45 0.00 0.00 179.45 176.94 1aca h VAL 77 N 0.45 1.19 -0.77 2.00 2.07 0.32 -0.36 116.25 121.14 1aca h VAL 77 Ca 0.00 -0.60 0.15 0.00 0.82 0.00 0.00 66.70 67.07 1aca h VAL 77 Cb 1.13 1.11 -0.14 0.00 -1.52 0.00 0.00 31.29 31.87 1aca h VAL 77 CO 0.11 0.20 -0.25 -0.33 0.02 0.00 0.00 177.57 177.32 1aca h GLU 78 N 0.25 -0.04 0.81 1.57 4.39 0.46 0.27 114.58 122.30 1aca h GLU 78 Ca 0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1aca h GLU 78 Cb 0.22 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1aca h GLU 78 CO -0.00 -0.02 -0.48 0.93 -1.16 0.00 0.00 179.01 178.28 1aca h GLU 79 N -0.04 -1.16 -0.62 2.33 5.08 -0.38 -3.20 114.58 116.59 1aca h GLU 79 Ca 0.35 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.90 1aca h GLU 79 Cb 0.58 0.26 -0.12 0.00 0.50 0.00 0.00 28.75 29.97 1aca h GLU 79 CO -0.81 -0.77 -0.27 -0.07 -1.00 0.00 0.00 179.01 176.09 1aca h LEU 80 N -1.20 -0.94 -1.23 1.33 3.38 0.67 0.31 115.31 117.63 1aca h LEU 80 Ca -0.11 0.22 0.46 0.00 0.09 0.00 0.00 57.88 58.53 1aca h LEU 80 Cb 0.95 0.51 -0.16 0.00 0.09 0.00 0.00 40.66 42.06 1aca h LEU 80 CO 0.13 -0.27 0.75 1.17 0.09 0.00 0.00 178.44 180.30 1aca n LYS 81 N -5.45 -0.05 -0.10 1.13 4.81 0.76 -0.17 118.16 119.11 1aca n LYS 81 Ca 0.06 1.31 -0.23 0.00 -0.87 0.00 0.00 58.31 58.58 1aca n LYS 81 Cb 0.35 -2.48 -0.12 0.00 0.02 0.00 0.00 35.03 32.81 1aca n LYS 81 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1aca n LYS 82 N -4.95 0.59 -0.24 1.64 5.02 -0.10 0.38 118.16 120.51 1aca n LYS 82 Ca 0.40 0.49 -0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1aca n LYS 82 Cb 1.46 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 34.83 1aca n LYS 82 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1aca h LYS 83 N -0.85 -0.02 0.05 1.97 1.57 0.90 -2.61 116.57 117.58 1aca h LYS 83 Ca -0.41 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.00 1aca h LYS 83 Cb 1.45 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.72 1aca h LYS 83 CO -0.20 -0.02 -2.19 0.66 -0.57 0.00 0.00 179.45 177.13 1aca n TYR 84 N -5.47 0.57 0.00 -1.35 4.01 0.76 -5.07 117.16 110.60 1aca n TYR 84 Ca 0.09 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1aca n TYR 84 Cb 0.36 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 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 1.96 0.72 0.00 2.72 0.00 0.16 -4.94 105.19 105.81 1aca n GLY 85 Ca -0.41 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83