#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 1.15 0.00 1.43 0.00 -1.26 -5.00 119.66 115.98 1aca s GLN 2 Ca 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 55.36 53.95 1aca s GLN 2 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 33.01 32.06 1aca s GLN 2 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 175.29 175.46 1aca n ALA 3 N 0.07 0.96 0.05 2.60 0.00 -1.26 -2.69 120.51 120.24 1aca n ALA 3 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1aca n ALA 3 Cb 0.59 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 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 0.73 0.20 0.00 0.00 3.07 -2.00 -3.27 114.58 113.31 1aca h GLU 4 Ca 0.00 -0.34 -0.05 0.00 -0.50 0.00 0.00 59.36 58.47 1aca h GLU 4 Cb 0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1aca h GLU 4 CO 0.00 1.04 -0.32 0.35 -1.40 0.00 0.00 179.01 178.68 1aca h PHE 5 N 0.05 0.00 -0.87 4.33 3.04 -1.89 -3.10 116.94 118.50 1aca h PHE 5 Ca -0.23 0.00 0.18 0.00 3.98 0.00 0.00 57.97 61.89 1aca h PHE 5 Cb 1.99 0.00 -0.17 0.00 2.56 0.00 0.00 35.95 40.34 1aca h PHE 5 CO 0.05 0.80 -0.21 -0.44 -2.02 0.00 0.00 178.31 176.49 1aca h ASP 6 N -1.00 -0.80 0.17 0.41 5.19 -1.74 0.93 116.42 119.58 1aca h ASP 6 Ca -0.08 0.26 0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1aca h ASP 6 Cb 0.81 0.54 -0.04 0.00 0.18 0.00 0.00 39.33 40.82 1aca h ASP 6 CO -0.05 -0.29 -0.47 0.50 -3.12 0.00 0.00 179.24 175.82 1aca h LYS 7 N 0.00 -0.69 -0.73 3.56 1.63 -1.69 -0.76 116.57 117.89 1aca h LYS 7 Ca 0.42 0.05 0.15 0.00 -0.85 0.00 0.00 60.65 60.42 1aca h LYS 7 Cb 0.65 0.16 -0.14 0.00 -0.60 0.00 0.00 32.23 32.30 1aca h LYS 7 CO -0.90 -0.46 -0.17 0.00 -3.45 0.00 0.00 179.45 174.47 1aca h ALA 8 N -0.72 0.50 -0.96 5.00 0.00 0.82 0.43 119.26 124.33 1aca h ALA 8 Ca -0.01 0.28 0.20 0.00 0.00 0.00 0.00 54.91 55.38 1aca h ALA 8 Cb 0.69 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1aca h ALA 8 CO -0.22 -0.41 0.54 0.00 0.00 0.00 0.00 179.25 179.15 1aca h ALA 9 N 1.73 1.60 0.07 0.00 0.00 0.64 0.45 119.26 123.74 1aca h ALA 9 Ca 0.36 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1aca h ALA 9 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1aca h ALA 9 CO -0.75 -0.17 -0.03 0.93 0.00 0.00 0.00 179.25 179.22 1aca h GLU 10 N 0.62 -0.09 -0.93 0.00 4.39 0.53 -1.64 114.58 117.47 1aca h GLU 10 Ca 0.58 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.38 1aca h GLU 10 Cb 0.99 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.54 1aca h GLU 10 CO -0.43 0.48 -0.51 0.39 -1.16 0.00 0.00 179.01 177.77 1aca n GLU 11 N -4.79 -0.37 -0.16 2.33 1.02 0.12 0.19 120.64 118.98 1aca n GLU 11 Ca -0.07 1.40 -0.04 0.00 -0.02 0.00 0.00 57.16 58.42 1aca n GLU 11 Cb 0.30 -2.06 0.14 0.00 -0.02 0.00 0.00 31.44 29.80 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 1.24 0.00 2.62 3.04 -0.25 0.33 116.25 123.23 1aca h VAL 12 Ca 0.18 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1aca h VAL 12 Cb 0.41 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1aca h VAL 12 CO -0.88 0.33 0.00 0.29 -1.01 0.00 0.00 177.57 176.31 1aca n LYS 13 N -4.25 0.14 -0.10 4.17 5.02 0.51 -0.63 118.16 123.03 1aca n LYS 13 Ca 0.04 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.64 1aca n LYS 13 Cb 0.25 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.30 0.27 -1.64 2.13 8.25 0.10 -4.79 115.22 118.24 1aca n HIS 14 Ca 0.05 -0.13 -0.28 0.00 -0.26 0.00 0.00 57.72 57.10 1aca n HIS 14 Cb 0.09 0.00 -0.08 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 1.26 2.46 -0.16 2.41 4.77 0.20 -4.73 117.00 123.22 1aca n LEU 15 Ca 0.17 -2.76 0.14 0.00 -0.03 0.00 0.00 56.01 53.53 1aca n LEU 15 Cb 0.57 -1.53 0.23 0.00 -2.33 0.00 0.00 43.42 40.35 1aca n LEU 15 CO 0.15 -2.23 0.41 1.17 -1.33 0.00 0.00 177.39 175.56 1aca n LYS 16 N 8.04 -0.01 -3.96 3.23 4.81 -1.26 -3.76 118.16 125.24 1aca n LYS 16 Ca 0.45 0.43 -0.31 0.00 -0.87 0.00 0.00 58.31 58.00 1aca n LYS 16 Cb 0.45 -0.84 -0.15 0.00 0.02 0.00 0.00 35.03 34.52 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1aca s THR 17 N -4.17 2.02 0.00 3.15 2.01 -1.26 -5.05 115.64 112.33 1aca s THR 17 Ca -0.03 -2.23 0.00 0.00 0.31 0.00 0.00 61.69 59.74 1aca s THR 17 Cb 0.11 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1aca s THR 17 CO 0.28 -0.63 0.00 1.17 -0.69 0.00 0.00 174.62 174.75 1aca n LYS 18 N 4.28 0.00 -0.85 4.92 4.81 -1.25 -4.82 118.16 125.25 1aca n LYS 18 Ca 0.03 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.11 1aca n LYS 18 Cb 0.41 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.56 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 -0.69 -1.64 1.64 -0.02 -1.26 -4.70 135.00 128.33 1aca n PRO 19 Ca 0.00 -0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 60.86 1aca n PRO 19 Cb 0.00 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.11 2.89 0.58 3.55 0.00 -1.26 -4.73 121.76 120.67 1aca s ALA 20 Ca 0.45 0.86 0.42 0.00 0.00 0.00 0.00 51.96 53.69 1aca s ALA 20 Cb -0.01 -4.03 1.46 0.00 0.00 0.00 0.00 23.12 20.54 1aca s ALA 20 CO 0.67 -2.57 1.49 -0.44 0.00 0.00 0.00 175.76 174.91 1aca h ASP 21 N 14.17 0.00 -0.20 0.00 3.32 -1.97 0.77 116.42 132.50 1aca h ASP 21 Ca -0.42 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 1aca h ASP 21 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1aca h ASP 21 CO 0.96 0.00 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.80 1aca h GLU 22 N 0.00 0.59 -0.40 3.56 5.08 -1.99 0.54 114.58 121.96 1aca h GLU 22 Ca 0.78 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1aca h GLU 22 Cb 3.47 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 32.74 1aca h GLU 22 CO -0.01 0.98 -0.18 0.93 -1.00 0.00 0.00 179.01 179.73 1aca h GLU 23 N 0.26 0.76 0.89 2.33 5.08 0.06 -1.28 114.58 122.69 1aca h GLU 23 Ca 0.01 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1aca h GLU 23 Cb 0.94 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1aca h GLU 23 CO 0.08 0.89 -0.43 0.52 -1.00 0.00 0.00 179.01 179.07 1aca h MET 24 N 0.68 -1.15 -0.45 2.33 2.86 -0.48 -0.72 114.93 117.99 1aca h MET 24 Ca 0.10 0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1aca h MET 24 Cb 0.67 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 32.54 1aca h MET 24 CO 0.05 -0.76 -0.27 1.28 1.06 0.00 0.00 176.91 178.27 1aca n LEU 25 N -5.58 -0.48 0.14 1.22 4.77 0.19 0.03 117.00 117.29 1aca n LEU 25 Ca -0.15 0.96 -0.13 0.00 -0.03 0.00 0.00 56.01 56.65 1aca n LEU 25 Cb 0.47 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1aca n LEU 25 CO 0.37 -0.73 0.66 0.15 -1.33 0.00 0.00 177.39 176.52 1aca h PHE 26 N 0.00 -0.81 -0.32 -1.77 3.04 -1.10 -0.74 116.94 115.24 1aca h PHE 26 Ca 0.07 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.11 1aca h PHE 26 Cb 0.19 0.33 -0.08 0.00 2.56 0.00 0.00 35.95 38.95 1aca h PHE 26 CO -0.61 -0.41 -0.35 0.82 -2.02 0.00 0.00 178.31 175.74 1aca h ILE 27 N -0.55 0.22 0.64 1.41 1.08 0.89 -0.93 117.51 120.26 1aca h ILE 27 Ca 0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1aca h ILE 27 Cb 0.56 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1aca h ILE 27 CO -0.14 0.00 -0.37 0.22 -0.69 0.00 0.00 178.15 177.17 1aca h TYR 28 N -0.31 -0.96 -0.84 1.37 3.20 0.03 0.26 116.97 119.71 1aca h TYR 28 Ca 0.14 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.13 1aca h TYR 28 Cb 0.55 0.34 -0.14 0.00 1.54 0.00 0.00 36.73 39.02 1aca h TYR 28 CO -0.52 -0.57 -0.38 0.66 -1.64 0.00 0.00 178.16 175.71 1aca h SER 29 N -0.94 -1.38 0.30 -2.11 4.64 -0.80 0.25 113.55 113.51 1aca h SER 29 Ca -0.08 0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1aca h SER 29 Cb 0.75 0.70 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1aca h SER 29 CO 0.10 -0.29 -0.15 0.45 -0.87 0.00 0.00 176.83 176.07 1aca h HIS 30 N -0.07 -0.38 -0.70 4.77 3.86 -1.05 -0.70 115.15 120.89 1aca h HIS 30 Ca 0.29 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.63 1aca h HIS 30 Cb 0.57 0.12 -0.13 0.00 1.06 0.00 0.00 27.41 29.04 1aca h HIS 30 CO -0.79 -0.09 -0.23 -0.92 0.86 0.00 0.00 177.93 176.76 1aca h TYR 31 N -0.65 -0.55 -0.23 2.45 3.20 0.67 0.49 116.97 122.35 1aca h TYR 31 Ca -0.04 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1aca h TYR 31 Cb 0.46 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1aca h TYR 31 CO 0.00 -0.33 0.04 0.87 -1.64 0.00 0.00 178.16 177.10 1aca h LYS 32 N -0.04 0.39 -0.60 1.82 1.79 -0.54 0.19 116.57 119.58 1aca h LYS 32 Ca 0.32 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 1aca h LYS 32 Cb 0.54 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1aca h LYS 32 CO -0.74 0.52 0.24 -0.56 -1.08 0.00 0.00 179.45 177.83 1aca h GLN 33 N 0.19 0.89 -0.09 3.15 3.07 -0.60 0.44 115.11 122.17 1aca h GLN 33 Ca 0.07 -0.16 0.04 0.00 0.09 0.00 0.00 58.65 58.69 1aca h GLN 33 Cb 0.32 -0.14 -0.05 0.00 0.08 0.00 0.00 27.48 27.69 1aca h GLN 33 CO 0.00 0.76 -0.22 0.00 0.09 0.00 0.00 178.83 179.47 1aca h ALA 34 N 1.09 -0.21 0.10 0.06 0.00 -0.59 -0.65 119.26 119.05 1aca h ALA 34 Ca 0.20 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1aca h ALA 34 Cb 0.20 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1aca h ALA 34 CO -0.02 -0.69 -0.95 1.79 0.00 0.00 0.00 179.25 179.39 1aca h THR 35 N -0.30 1.33 0.00 0.00 1.35 -0.58 -3.42 112.91 111.29 1aca h THR 35 Ca 0.09 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1aca h THR 35 Cb 0.43 2.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1aca h THR 35 CO -0.26 0.66 0.00 0.52 -0.25 0.00 0.00 175.52 176.19 1aca n VAL 36 N -4.15 0.00 0.00 6.82 0.31 0.14 -5.06 118.33 116.39 1aca n VAL 36 Ca -0.19 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1aca n VAL 36 Cb 0.79 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 1.93 2.11 3.84 2.92 0.00 -0.25 -4.95 105.19 110.79 1aca n GLY 37 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 6.76 0.09 1.61 1.11 -1.26 -4.21 116.67 116.77 1aca s ASP 38 Ca 0.00 0.91 -0.29 0.00 0.18 0.00 0.00 52.55 53.36 1aca s ASP 38 Cb 0.00 -2.23 -0.06 0.00 1.07 0.00 0.00 42.92 41.70 1aca s ASP 38 CO 0.00 0.29 0.90 -0.51 1.18 0.00 0.00 175.17 177.03 1aca s ILE 39 N -1.16 4.57 0.00 0.77 2.07 -1.26 -4.90 121.20 121.29 1aca s ILE 39 Ca 0.26 1.94 0.00 0.00 -1.41 0.00 0.00 60.65 61.44 1aca s ILE 39 Cb -0.16 -4.26 0.00 0.00 0.13 0.00 0.00 42.46 38.17 1aca s ILE 39 CO 0.14 0.33 0.83 -0.46 -1.91 0.00 0.00 174.94 173.87 1aca n ASN 40 N 2.80 0.00 -3.71 4.50 0.23 -1.26 -5.08 115.26 112.74 1aca n ASN 40 Ca 0.01 -1.67 -0.13 0.00 -0.53 0.00 0.00 54.58 52.26 1aca n ASN 40 Cb 0.49 -0.13 0.02 0.00 -2.08 0.00 0.00 39.78 38.08 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 0.00 0.00 -3.27 5.53 -2.24 -1.26 -5.14 114.28 107.89 1aca n THR 41 Ca 0.00 -1.20 -0.19 0.00 -2.27 0.00 0.00 64.05 60.39 1aca n THR 41 Cb 0.63 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1aca n THR 41 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aca s GLU 42 N -3.47 2.62 -0.82 -0.78 -1.05 -1.26 -5.10 118.70 108.84 1aca s GLU 42 Ca 0.29 -1.45 -0.12 0.00 -0.15 0.00 0.00 54.97 53.54 1aca s GLU 42 Cb -0.02 -2.56 0.22 0.00 -0.44 0.00 0.00 34.13 31.32 1aca s GLU 42 CO 0.19 -0.34 0.74 0.50 0.95 0.00 0.00 175.26 177.30 1aca s ARG 43 N -4.30 3.50 0.39 -4.83 3.52 -1.26 -4.83 118.95 111.13 1aca s ARG 43 Ca 0.52 -2.52 -0.07 0.00 -0.13 0.00 0.00 55.73 53.53 1aca s ARG 43 Cb -0.06 -4.34 -0.06 0.00 -1.56 0.00 0.00 34.95 28.92 1aca s ARG 43 CO 0.31 -1.27 -0.35 -2.30 -0.81 0.00 0.00 175.30 170.88 1aca n PRO 44 N 3.83 0.00 0.00 5.12 -0.02 -1.26 -4.81 135.00 137.86 1aca n PRO 44 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1aca n PRO 44 Cb 0.45 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 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 1.35 0.57 0.00 -1.23 0.00 -1.26 -4.54 105.19 100.08 1aca n GLY 45 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.77 1.61 0.00 -1.26 0.19 117.12 114.89 1aca n MET 46 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.39 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 -2.77 5.34 -0.03 3.17 7.99 -1.26 -4.94 117.00 124.50 1aca n LEU 47 Ca 0.00 -5.53 0.03 0.00 -0.01 0.00 0.00 56.01 50.50 1aca n LEU 47 Cb 0.00 -0.72 0.04 0.00 -0.11 0.00 0.00 43.42 42.64 1aca n LEU 47 CO 0.00 2.25 0.08 0.47 -1.51 0.00 0.00 177.39 178.67 1aca n ASP 48 N -0.24 0.01 -0.08 -1.43 9.92 0.49 -0.99 116.55 124.23 1aca n ASP 48 Ca 0.37 0.07 -0.09 0.00 -0.53 0.00 0.00 54.79 54.61 1aca n ASP 48 Cb 0.38 -0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.80 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 -2.41 0.00 -0.18 1.24 -1.74 -1.26 -4.60 117.46 108.50 1aca n PHE 49 Ca 0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.89 1aca n PHE 49 Cb 0.10 -0.46 0.07 0.00 1.52 0.00 0.00 39.48 40.71 1aca n PHE 49 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1aca h LYS 50 N -0.87 0.49 0.08 3.97 3.64 -1.49 0.28 116.57 122.67 1aca h LYS 50 Ca -0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1aca h LYS 50 Cb 0.91 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1aca h LYS 50 CO -0.02 0.32 -0.04 0.78 -2.27 0.00 0.00 179.45 178.22 1aca h GLY 51 N 0.50 -0.12 0.51 5.01 0.00 -1.37 -1.02 103.07 106.59 1aca h GLY 51 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1aca h GLY 51 CO -0.20 -0.04 -0.07 0.50 0.00 0.00 0.00 176.54 176.73 1aca h LYS 52 N -0.24 -0.19 -0.30 4.80 1.57 -1.70 -3.22 116.57 117.30 1aca h LYS 52 Ca -0.01 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1aca h LYS 52 Cb 0.20 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1aca h LYS 52 CO 0.02 0.23 -0.18 0.00 -0.57 0.00 0.00 179.45 178.95 1aca n ALA 53 N -2.45 -0.19 -0.05 3.86 0.00 0.99 0.18 120.51 122.84 1aca n ALA 53 Ca -0.09 0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 1aca n ALA 53 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.19 0.02 0.00 2.10 -1.27 0.25 116.57 117.48 1aca h LYS 54 Ca 0.05 0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1aca h LYS 54 Cb 0.12 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1aca h LYS 54 CO -0.28 -0.13 -0.03 2.35 -2.00 0.00 0.00 179.45 179.36 1aca h TRP 55 N -0.20 -0.08 -0.98 0.07 7.01 0.18 -1.68 115.95 120.28 1aca h TRP 55 Ca 0.14 0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.30 1aca h TRP 55 Cb 0.41 0.03 -0.17 0.00 -2.10 0.00 0.00 29.16 27.34 1aca h TRP 55 CO -0.37 -0.04 -0.35 -0.44 -2.79 0.00 0.00 178.44 174.46 1aca h ASP 56 N -0.05 -1.30 -0.81 2.65 3.32 0.09 0.48 116.42 120.79 1aca h ASP 56 Ca -0.00 0.30 0.05 0.00 0.02 0.00 0.00 57.03 57.40 1aca h ASP 56 Cb 0.05 0.71 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1aca h ASP 56 CO -0.01 -0.30 0.50 0.00 -1.72 0.00 0.00 179.24 177.72 1aca h ALA 57 N 1.51 1.09 0.15 3.45 0.00 -0.36 -2.90 119.26 122.21 1aca h ALA 57 Ca 0.37 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.98 1aca h ALA 57 Cb 0.63 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1aca h ALA 57 CO -0.98 0.27 -1.31 2.35 0.00 0.00 0.00 179.25 179.58 1aca h TRP 58 N 0.94 0.57 0.00 0.00 7.01 0.25 -3.30 115.95 121.43 1aca h TRP 58 Ca 0.34 -0.42 0.00 0.00 2.11 0.00 0.00 58.89 60.92 1aca h TRP 58 Cb 0.11 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1aca h TRP 58 CO -0.04 1.34 0.34 -1.71 -2.79 0.00 0.00 178.44 175.59 1aca n ASN 59 N -3.56 0.23 -0.08 2.65 4.05 0.14 0.20 115.26 118.89 1aca n ASN 59 Ca -0.10 0.46 -0.11 0.00 0.45 0.00 0.00 54.58 55.28 1aca n ASN 59 Cb 1.04 -0.39 -0.15 0.00 1.23 0.00 0.00 39.78 41.51 1aca n ASN 59 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1aca n GLU 60 N -1.86 0.68 0.08 1.20 0.00 -1.19 -4.43 120.64 115.12 1aca n GLU 60 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 57.16 57.21 1aca n GLU 60 Cb 0.36 -1.58 -0.06 0.00 0.00 0.00 0.00 31.44 30.16 1aca n GLU 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1aca h LEU 61 N 0.00 0.00 -7.45 4.31 3.38 -0.40 -3.47 115.31 111.68 1aca h LEU 61 Ca -0.50 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 56.92 1aca h LEU 61 Cb 2.17 0.00 0.10 0.00 0.09 0.00 0.00 40.66 43.01 1aca h LEU 61 CO 0.03 0.72 -0.48 1.17 0.09 0.00 0.00 178.44 179.97 1aca n LYS 62 N -3.19 0.00 0.00 1.13 4.81 -0.65 0.23 118.16 120.49 1aca n LYS 62 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1aca n LYS 62 Cb 0.85 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 35.07 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 1.69 3.32 3.93 3.14 0.00 -1.26 -5.05 105.19 110.95 1aca n GLY 63 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.38 2.01 0.57 2.61 2.01 0.13 -5.07 115.64 115.53 1aca s THR 64 Ca 0.00 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1aca s THR 64 Cb 0.00 -2.98 0.12 0.00 0.01 0.00 0.00 72.50 69.65 1aca s THR 64 CO 0.00 0.00 0.79 -1.54 -0.69 0.00 0.00 174.62 173.18 1aca n SER 65 N -3.62 0.80 0.05 3.53 3.41 -1.26 -4.86 113.62 111.67 1aca n SER 65 Ca 0.14 -1.74 0.12 0.00 -0.26 0.00 0.00 58.87 57.13 1aca n SER 65 Cb 0.60 -0.53 0.12 0.00 -0.26 0.00 0.00 64.21 64.14 1aca n SER 65 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1aca n LYS 66 N -2.50 0.31 -0.13 4.33 5.02 -1.25 -4.10 118.16 119.82 1aca n LYS 66 Ca 0.12 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.23 1aca n LYS 66 Cb 0.43 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 1aca n LYS 66 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1aca n GLU 67 N -2.10 0.62 -0.17 1.97 1.02 -1.26 -4.02 120.64 116.69 1aca n GLU 67 Ca 0.03 0.21 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 1aca n GLU 67 Cb 0.44 -1.51 0.06 0.00 -0.02 0.00 0.00 31.44 30.41 1aca n GLU 67 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1aca h ASP 68 N -0.53 -0.39 -0.91 1.62 3.32 -1.98 0.63 116.42 118.17 1aca h ASP 68 Ca -0.65 0.15 0.18 0.00 0.02 0.00 0.00 57.03 56.73 1aca h ASP 68 Cb 1.75 0.29 -0.17 0.00 0.22 0.00 0.00 39.33 41.42 1aca h ASP 68 CO -0.27 -0.14 -0.25 0.00 -1.72 0.00 0.00 179.24 176.86 1aca n ALA 69 N -2.83 0.17 0.23 3.45 0.00 -1.26 -0.78 120.51 119.49 1aca n ALA 69 Ca 0.06 0.99 -0.14 0.00 0.00 0.00 0.00 53.44 54.35 1aca n ALA 69 Cb 0.29 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.09 1aca n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1aca h MET 70 N 0.00 -0.57 -0.54 0.00 2.86 0.09 0.44 114.93 117.21 1aca h MET 70 Ca 0.42 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.21 1aca h MET 70 Cb 0.65 0.13 -0.10 0.00 0.06 0.00 0.00 31.60 32.34 1aca h MET 70 CO -0.93 -0.27 -0.12 1.63 1.06 0.00 0.00 176.91 178.27 1aca n LYS 71 N -5.25 -0.05 -0.13 1.72 4.01 0.04 -1.12 118.16 117.39 1aca n LYS 71 Ca -0.11 0.84 -0.26 0.00 -0.51 0.00 0.00 58.31 58.28 1aca n LYS 71 Cb 0.30 -1.26 -0.11 0.00 -0.51 0.00 0.00 35.03 33.45 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aca n ALA 72 N -3.77 1.23 -0.30 7.82 0.00 -1.15 -4.15 120.51 120.18 1aca n ALA 72 Ca 0.09 -1.05 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 1aca n ALA 72 Cb 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 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 -3.95 -0.19 0.10 0.00 9.36 0.16 -0.29 117.16 122.35 1aca n TYR 73 Ca -0.50 0.93 -0.07 0.00 3.32 0.00 0.00 57.90 61.58 1aca n TYR 73 Cb 0.91 -0.65 -0.04 0.00 -0.63 0.00 0.00 39.34 38.94 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 -0.95 2.97 2.04 -1.34 0.36 117.51 120.59 1aca h ILE 74 Ca 0.18 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.30 1aca h ILE 74 Cb 0.36 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.27 1aca h ILE 74 CO -0.72 0.00 0.09 0.44 0.00 0.00 0.00 178.15 177.96 1aca h ASP 75 N -0.37 -0.34 -0.68 1.72 5.19 -1.30 1.18 116.42 121.81 1aca h ASP 75 Ca -0.02 0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.59 1aca h ASP 75 Cb 0.33 0.43 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 1aca h ASP 75 CO -0.04 -0.31 0.20 0.50 -3.12 0.00 0.00 179.24 176.47 1aca h LYS 76 N 0.05 1.09 -0.21 3.56 1.63 0.01 -0.46 116.57 122.23 1aca h LYS 76 Ca 0.59 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 60.09 1aca h LYS 76 Cb 1.22 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1aca h LYS 76 CO -0.84 0.94 -0.12 0.28 -3.45 0.00 0.00 179.45 176.26 1aca h VAL 77 N 1.04 1.31 -0.52 2.00 2.07 0.53 -2.85 116.25 119.83 1aca h VAL 77 Ca 0.22 -1.20 0.10 0.00 0.82 0.00 0.00 66.70 66.65 1aca h VAL 77 Cb 0.32 1.65 -0.11 0.00 -1.52 0.00 0.00 31.29 31.63 1aca h VAL 77 CO -0.00 0.36 -0.32 -0.33 0.02 0.00 0.00 177.57 177.30 1aca h GLU 78 N 0.14 -0.18 -0.10 1.57 4.39 0.58 -1.26 114.58 119.72 1aca h GLU 78 Ca 0.04 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1aca h GLU 78 Cb 0.62 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1aca h GLU 78 CO 0.03 -0.12 -0.10 0.93 -1.16 0.00 0.00 179.01 178.59 1aca h GLU 79 N -0.19 -0.05 -0.71 2.33 5.08 -0.91 -2.71 114.58 117.42 1aca h GLU 79 Ca 0.21 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.68 1aca h GLU 79 Cb 0.54 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 1aca h GLU 79 CO -0.63 -0.04 -0.30 1.28 -1.00 0.00 0.00 179.01 178.33 1aca n LEU 80 N -3.24 -0.50 -0.12 1.33 4.77 -0.51 -1.58 117.00 117.15 1aca n LEU 80 Ca -0.00 1.25 0.06 0.00 -0.03 0.00 0.00 56.01 57.29 1aca n LEU 80 Cb 0.06 -0.27 0.12 0.00 -2.33 0.00 0.00 43.42 41.00 1aca n LEU 80 CO -0.01 -1.11 0.29 1.17 -1.33 0.00 0.00 177.39 176.40 1aca n LYS 81 N -5.03 -0.03 -0.01 3.23 4.81 -1.00 0.36 118.16 120.49 1aca n LYS 81 Ca 0.07 0.50 -0.21 0.00 -0.87 0.00 0.00 58.31 57.80 1aca n LYS 81 Cb 0.27 -0.81 -0.14 0.00 0.02 0.00 0.00 35.03 34.37 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 -4.18 0.75 -0.28 1.64 5.02 -0.62 0.66 118.16 121.14 1aca n LYS 82 Ca 0.09 0.25 0.09 0.00 -2.02 0.00 0.00 58.31 56.73 1aca n LYS 82 Cb 0.30 -1.69 0.25 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.05 0.38 0.00 1.97 1.57 -0.03 -3.30 116.57 117.21 1aca h LYS 83 Ca -0.44 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 1aca h LYS 83 Cb 2.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 34.21 1aca h LYS 83 CO 0.06 0.25 -1.59 0.66 -0.57 0.00 0.00 179.45 178.27 1aca n TYR 84 N -5.06 0.00 0.00 -1.35 4.01 0.47 -5.09 117.16 110.14 1aca n TYR 84 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1aca n TYR 84 Cb 0.55 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 2.72 0.09 0.00 2.72 0.00 0.21 -4.81 105.19 106.12 1aca n GLY 85 Ca -0.19 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61