#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 1.16 0.00 1.43 0.00 -1.26 -5.03 119.66 115.96 1aca s GLN 2 Ca 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 55.36 54.23 1aca s GLN 2 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 33.01 33.40 1aca s GLN 2 CO 0.00 -0.43 0.90 0.00 0.00 0.00 0.00 175.29 175.76 1aca n ALA 3 N -0.22 2.56 -0.02 2.60 0.00 -1.26 -3.39 120.51 120.79 1aca n ALA 3 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1aca n ALA 3 Cb 0.63 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 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 1.72 0.20 0.18 0.00 5.08 -2.00 -3.31 114.58 116.45 1aca h GLU 4 Ca 0.00 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1aca h GLU 4 Cb 0.56 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1aca h GLU 4 CO 0.00 1.17 -0.08 0.35 -1.00 0.00 0.00 179.01 179.44 1aca h PHE 5 N -0.27 -0.22 -0.85 4.33 3.04 -1.92 -2.36 116.94 118.69 1aca h PHE 5 Ca -0.38 -0.01 0.22 0.00 3.98 0.00 0.00 57.97 61.79 1aca h PHE 5 Cb 1.80 0.07 -0.14 0.00 2.56 0.00 0.00 35.95 40.25 1aca h PHE 5 CO 0.09 0.13 0.17 -0.44 -2.02 0.00 0.00 178.31 176.24 1aca h ASP 6 N -0.61 -0.11 -0.16 0.41 3.32 -1.77 0.59 116.42 118.09 1aca h ASP 6 Ca -0.02 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1aca h ASP 6 Cb 0.45 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1aca h ASP 6 CO 0.04 -0.17 0.05 0.50 -1.72 0.00 0.00 179.24 177.94 1aca h LYS 7 N 0.17 0.25 -0.44 3.56 3.64 -1.64 -2.24 116.57 119.88 1aca h LYS 7 Ca 0.52 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.93 1aca h LYS 7 Cb 1.02 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 1aca h LYS 7 CO -0.67 0.37 -0.01 0.00 -2.27 0.00 0.00 179.45 176.87 1aca h ALA 8 N 0.87 0.40 0.00 5.00 0.00 0.57 0.27 119.26 126.37 1aca h ALA 8 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1aca h ALA 8 Cb 0.22 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1aca h ALA 8 CO -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.85 1aca n ALA 9 N -2.61 1.84 0.01 0.00 0.00 0.62 -0.09 120.51 120.28 1aca n ALA 9 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1aca n ALA 9 Cb 0.23 -1.00 -0.01 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 -0.04 0.15 -0.00 0.00 0.28 0.70 -3.88 120.64 117.85 1aca n GLU 10 Ca 0.00 0.06 -0.09 0.00 -0.16 0.00 0.00 57.16 56.97 1aca n GLU 10 Cb 0.08 -0.77 -0.03 0.00 1.43 0.00 0.00 31.44 32.14 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 -0.29 -0.27 -0.16 3.44 5.08 -0.11 0.73 114.58 123.00 1aca h GLU 11 Ca -0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1aca h GLU 11 Cb 0.31 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1aca h GLU 11 CO -0.00 -0.18 0.08 -0.24 -1.00 0.00 0.00 179.01 177.67 1aca h VAL 12 N -0.28 1.11 0.00 3.13 3.04 -0.73 0.17 116.25 122.69 1aca h VAL 12 Ca 0.10 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1aca h VAL 12 Cb 0.44 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1aca h VAL 12 CO -0.30 0.10 0.00 0.29 -1.01 0.00 0.00 177.57 176.65 1aca n LYS 13 N -4.91 0.09 -0.01 4.17 5.02 -0.46 -0.84 118.16 121.22 1aca n LYS 13 Ca -0.04 0.25 0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1aca n LYS 13 Cb 0.08 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.36 0.03 -1.35 2.13 8.25 0.24 -4.98 115.22 118.18 1aca n HIS 14 Ca 0.04 -0.04 -0.53 0.00 -0.26 0.00 0.00 57.72 56.93 1aca n HIS 14 Cb 0.08 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.06 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 0.37 0.66 0.31 2.41 4.77 0.45 -4.66 117.00 121.30 1aca n LEU 15 Ca 0.04 0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.55 1aca n LEU 15 Cb 0.19 -0.93 0.26 0.00 -2.33 0.00 0.00 43.42 40.61 1aca n LEU 15 CO 0.04 -0.76 1.00 0.11 -1.33 0.00 0.00 177.39 176.45 1aca h LYS 16 N 10.33 0.00 -2.38 3.23 1.57 -1.86 -3.37 116.57 124.08 1aca h LYS 16 Ca -0.09 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.31 1aca h LYS 16 Cb 1.38 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.33 1aca h LYS 16 CO 1.19 0.00 -0.67 0.99 -0.57 0.00 0.00 179.45 180.40 1aca s THR 17 N -3.89 -0.31 -0.09 -0.16 2.01 -1.26 -5.09 115.64 106.85 1aca s THR 17 Ca -0.01 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1aca s THR 17 Cb 0.03 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1aca s THR 17 CO 0.09 -0.48 0.19 1.17 -0.69 0.00 0.00 174.62 174.90 1aca n LYS 18 N 5.30 0.00 -0.56 4.92 4.81 -1.26 -4.83 118.16 126.54 1aca n LYS 18 Ca -0.04 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.12 1aca n LYS 18 Cb 0.46 -0.09 0.20 0.00 0.02 0.00 0.00 35.03 35.62 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 0.50 -2.28 -1.61 1.64 -0.02 -1.26 -4.77 135.00 127.20 1aca n PRO 19 Ca 0.06 -0.66 -0.49 0.00 -2.02 0.00 0.00 63.50 60.40 1aca n PRO 19 Cb 0.01 -1.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 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 -4.69 -0.15 -0.32 3.55 0.00 -1.26 -4.58 120.51 113.06 1aca n ALA 20 Ca 0.03 0.47 0.10 0.00 0.00 0.00 0.00 53.44 54.04 1aca n ALA 20 Cb 0.56 -2.14 0.22 0.00 0.00 0.00 0.00 19.45 18.09 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 4.28 -0.53 -1.01 0.00 5.19 -1.99 0.48 116.42 122.84 1aca h ASP 21 Ca -0.45 0.26 0.26 0.00 -0.62 0.00 0.00 57.03 56.48 1aca h ASP 21 Cb 1.31 0.47 -0.13 0.00 0.18 0.00 0.00 39.33 41.17 1aca h ASP 21 CO 0.76 -0.29 0.60 -0.33 -3.12 0.00 0.00 179.24 176.86 1aca h GLU 22 N 0.04 0.51 -0.04 3.56 4.39 -1.98 0.58 114.58 121.64 1aca h GLU 22 Ca 0.51 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.13 1aca h GLU 22 Cb 0.97 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1aca h GLU 22 CO -0.86 0.34 -0.19 0.93 -1.16 0.00 0.00 179.01 178.07 1aca h GLU 23 N 0.53 0.20 -0.67 2.33 5.08 -0.40 0.99 114.58 122.64 1aca h GLU 23 Ca 0.66 -0.16 0.14 0.00 -1.00 0.00 0.00 59.36 59.00 1aca h GLU 23 Cb 1.32 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 1aca h GLU 23 CO -0.48 0.81 0.12 0.52 -1.00 0.00 0.00 179.01 178.98 1aca h MET 24 N -0.37 0.22 0.28 2.33 2.86 -0.02 0.88 114.93 121.11 1aca h MET 24 Ca -0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1aca h MET 24 Cb 0.84 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1aca h MET 24 CO 0.04 0.15 -0.22 -0.07 1.06 0.00 0.00 176.91 177.87 1aca h LEU 25 N 0.23 -0.58 -0.66 1.22 3.38 0.20 0.42 115.31 119.52 1aca h LEU 25 Ca 0.36 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.49 1aca h LEU 25 Cb 0.59 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 1aca h LEU 25 CO -0.48 -0.31 -0.32 0.15 0.09 0.00 0.00 178.44 177.57 1aca h PHE 26 N -0.48 -0.87 0.15 1.13 3.04 -0.22 0.34 116.94 120.02 1aca h PHE 26 Ca -0.04 0.08 0.02 0.00 3.98 0.00 0.00 57.97 62.00 1aca h PHE 26 Cb 0.40 0.48 -0.04 0.00 2.56 0.00 0.00 35.95 39.35 1aca h PHE 26 CO -0.08 -0.38 -0.45 0.82 -2.02 0.00 0.00 178.31 176.20 1aca h ILE 27 N -0.12 0.11 -0.02 1.41 1.08 -0.74 -0.63 117.51 118.59 1aca h ILE 27 Ca 0.26 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.76 1aca h ILE 27 Cb 0.56 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 1aca h ILE 27 CO -0.73 0.00 -0.44 0.22 -0.69 0.00 0.00 178.15 176.51 1aca h TYR 28 N -0.71 -1.27 -0.60 1.37 5.03 0.33 0.51 116.97 121.64 1aca h TYR 28 Ca 0.01 0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.44 1aca h TYR 28 Cb 0.72 0.56 -0.10 0.00 1.55 0.00 0.00 36.73 39.45 1aca h TYR 28 CO -0.38 -0.51 -0.49 0.66 -1.32 0.00 0.00 178.16 176.12 1aca h SER 29 N -0.58 -1.70 -0.02 -2.11 4.64 -0.03 0.28 113.55 114.04 1aca h SER 29 Ca 0.05 0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1aca h SER 29 Cb 0.66 0.75 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1aca h SER 29 CO -0.34 -0.34 0.00 0.45 -0.87 0.00 0.00 176.83 175.73 1aca h HIS 30 N -0.24 0.03 -0.35 4.77 3.86 -0.82 -1.38 115.15 121.02 1aca h HIS 30 Ca 0.15 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 1aca h HIS 30 Cb 0.56 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.93 1aca h HIS 30 CO -0.76 0.29 -0.43 -0.92 0.86 0.00 0.00 177.93 176.97 1aca h TYR 31 N -0.23 -1.25 -0.11 2.45 3.20 0.56 0.31 116.97 121.90 1aca h TYR 31 Ca 0.01 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1aca h TYR 31 Cb 0.27 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1aca h TYR 31 CO 0.02 -0.45 -0.13 0.87 -1.64 0.00 0.00 178.16 176.83 1aca h LYS 32 N -0.36 -0.16 -0.41 1.82 1.79 -0.98 0.34 116.57 118.61 1aca h LYS 32 Ca 0.12 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1aca h LYS 32 Cb 0.59 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1aca h LYS 32 CO -0.54 -0.10 0.25 0.37 -1.08 0.00 0.00 179.45 178.35 1aca h GLN 33 N -0.16 0.55 -0.09 3.15 -0.00 -0.36 0.71 115.11 118.91 1aca h GLN 33 Ca 0.08 -0.04 -0.24 0.00 -0.00 0.00 0.00 58.65 58.45 1aca h GLN 33 Cb 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 27.48 27.66 1aca h GLN 33 CO -0.21 0.38 -0.89 0.00 0.00 0.00 0.00 178.83 178.11 1aca h ALA 34 N 1.72 0.23 0.01 3.38 0.00 0.11 -3.19 119.26 121.51 1aca h ALA 34 Ca 0.15 -0.64 -0.38 0.00 0.00 0.00 0.00 54.91 54.04 1aca h ALA 34 Cb -0.03 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1aca h ALA 34 CO -0.03 0.69 -2.09 0.25 0.00 0.00 0.00 179.25 178.06 1aca n THR 35 N -3.90 1.54 -0.05 0.00 -2.24 0.11 -4.61 114.28 105.12 1aca n THR 35 Ca -0.09 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.37 1aca n THR 35 Cb 0.81 -1.89 -0.02 0.00 -2.10 0.00 0.00 70.33 67.12 1aca n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1aca h VAL 36 N -0.86 0.29 0.00 2.28 2.07 0.18 -3.50 116.25 116.70 1aca h VAL 36 Ca -0.57 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1aca h VAL 36 Cb 1.56 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1aca h VAL 36 CO -0.30 0.10 0.00 0.61 0.02 0.00 0.00 177.57 177.99 1aca n GLY 37 N 1.75 0.94 3.80 2.17 0.00 -0.18 -5.00 105.19 108.66 1aca n GLY 37 Ca -0.02 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 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 3.77 -0.21 1.61 1.01 -1.26 -3.97 116.67 113.62 1aca s ASP 38 Ca 0.00 1.02 -0.07 0.00 0.71 0.00 0.00 52.55 54.21 1aca s ASP 38 Cb 0.00 -1.62 -0.03 0.00 1.01 0.00 0.00 42.92 42.27 1aca s ASP 38 CO 0.00 -2.40 0.06 -0.51 0.21 0.00 0.00 175.17 172.53 1aca s ILE 39 N -3.27 4.50 -0.31 0.77 2.07 -1.26 -4.95 121.20 118.74 1aca s ILE 39 Ca 0.63 -0.12 0.10 0.00 -1.41 0.00 0.00 60.65 59.85 1aca s ILE 39 Cb -0.14 -3.06 0.46 0.00 0.13 0.00 0.00 42.46 39.85 1aca s ILE 39 CO 0.53 0.41 1.15 -0.46 -1.91 0.00 0.00 174.94 174.66 1aca n ASN 40 N 4.13 4.06 -4.43 4.50 0.23 -1.26 -5.05 115.26 117.43 1aca n ASN 40 Ca -0.16 -3.36 -0.27 0.00 -0.53 0.00 0.00 54.58 50.26 1aca n ASN 40 Cb 0.52 -0.40 -0.09 0.00 -2.08 0.00 0.00 39.78 37.73 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 -4.54 1.07 0.44 5.53 -4.23 -1.26 -5.18 115.64 107.46 1aca s THR 41 Ca 0.45 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1aca s THR 41 Cb 0.39 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.81 1aca s THR 41 CO -0.02 0.00 0.52 -1.84 -0.54 0.00 0.00 174.62 172.74 1aca n GLU 42 N -0.96 0.75 -3.52 3.99 0.00 -1.26 -5.14 120.64 114.50 1aca n GLU 42 Ca -0.08 -2.47 -0.21 0.00 0.00 0.00 0.00 57.16 54.40 1aca n GLU 42 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 31.44 32.06 1aca n GLU 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1aca s ARG 43 N -3.93 3.24 0.57 3.44 0.52 -1.26 -5.01 118.95 116.52 1aca s ARG 43 Ca 0.39 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.71 1aca s ARG 43 Cb -0.03 -2.78 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 1aca s ARG 43 CO 0.25 0.12 -0.55 -2.30 0.02 0.00 0.00 175.30 172.84 1aca n PRO 44 N -1.66 0.00 -0.63 3.54 -0.01 -1.26 -5.02 135.00 129.96 1aca n PRO 44 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.46 1aca n PRO 44 Cb 0.57 -0.57 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 1aca n PRO 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1aca n GLY 45 N 2.01 4.03 0.06 -1.23 0.00 -1.26 -4.81 105.19 103.97 1aca n GLY 45 Ca -0.01 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.22 0.00 0.07 1.61 0.00 -1.26 -0.69 117.12 116.64 1aca n MET 46 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 57.70 57.74 1aca n MET 46 Cb 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 33.22 32.69 1aca n MET 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1aca h LEU 47 N 0.00 0.19 0.00 3.17 3.38 -2.03 -3.47 115.31 116.56 1aca h LEU 47 Ca 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1aca h LEU 47 Cb 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aca h LEU 47 CO -0.00 1.18 0.00 -0.67 0.09 0.00 0.00 178.44 179.03 1aca n ASP 48 N -3.41 0.00 0.00 -0.43 2.03 0.14 -4.84 116.55 110.04 1aca n ASP 48 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1aca n ASP 48 Cb 0.99 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 1aca n ASP 48 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1aca n PHE 49 N 0.00 0.00 0.16 -0.67 1.16 -1.26 -3.91 117.46 112.94 1aca n PHE 49 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.72 1aca n PHE 49 Cb 0.00 0.00 0.45 0.00 -1.61 0.00 0.00 39.48 38.32 1aca n PHE 49 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 1aca h LYS 50 N 0.00 0.00 -1.03 3.97 1.79 -1.99 0.79 116.57 120.10 1aca h LYS 50 Ca 0.00 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.73 1aca h LYS 50 Cb 0.00 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.55 1aca h LYS 50 CO 0.00 0.00 0.65 0.78 -1.08 0.00 0.00 179.45 179.80 1aca h GLY 51 N 0.00 1.32 0.00 3.86 0.00 -1.95 0.90 103.07 107.20 1aca h GLY 51 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1aca h GLY 51 CO -0.00 -0.14 -0.47 1.70 0.00 0.00 0.00 176.54 177.63 1aca h LYS 52 N 0.44 0.00 0.00 4.80 3.11 -0.95 -3.20 116.57 120.77 1aca h LYS 52 Ca 0.59 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.43 1aca h LYS 52 Cb 1.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.65 1aca h LYS 52 CO -0.32 0.29 0.00 0.00 -2.81 0.00 0.00 179.45 176.61 1aca n ALA 53 N -3.27 0.00 -0.04 5.00 0.00 0.24 0.26 120.51 122.70 1aca n ALA 53 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1aca n ALA 53 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 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 0.23 0.16 0.00 2.10 -1.53 0.23 116.57 117.76 1aca h LYS 54 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1aca h LYS 54 Cb 0.00 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1aca h LYS 54 CO 0.00 0.26 -0.14 2.35 -2.00 0.00 0.00 179.45 179.92 1aca h TRP 55 N 0.13 -0.39 -0.25 0.07 7.01 0.35 0.22 115.95 123.09 1aca h TRP 55 Ca 0.05 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1aca h TRP 55 Cb 0.11 0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.26 1aca h TRP 55 CO -0.03 -0.19 -0.43 -0.44 -2.79 0.00 0.00 178.44 174.56 1aca h ASP 56 N -0.30 -1.40 -0.47 2.65 3.32 0.46 0.53 116.42 121.20 1aca h ASP 56 Ca -0.02 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1aca h ASP 56 Cb 0.25 0.57 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 1aca h ASP 56 CO -0.01 -0.33 0.17 0.00 -1.72 0.00 0.00 179.24 177.35 1aca h ALA 57 N -0.41 0.57 0.06 3.45 0.00 -0.54 0.36 119.26 122.74 1aca h ALA 57 Ca 0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1aca h ALA 57 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aca h ALA 57 CO -0.42 -0.22 -0.03 2.35 0.00 0.00 0.00 179.25 180.93 1aca h TRP 58 N 0.34 -0.07 0.00 0.00 7.01 0.29 -0.10 115.95 123.41 1aca h TRP 58 Ca 0.22 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1aca h TRP 58 Cb 0.22 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1aca h TRP 58 CO -0.16 0.03 0.19 -0.97 -2.79 0.00 0.00 178.44 174.74 1aca h ASN 59 N -0.16 0.00 0.25 2.65 -1.24 0.75 0.94 115.58 118.77 1aca h ASN 59 Ca -0.01 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.66 1aca h ASN 59 Cb 0.14 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.22 1aca h ASN 59 CO 0.01 0.00 -1.52 -0.08 -1.29 0.00 0.00 177.43 174.55 1aca h GLU 60 N 0.00 0.52 0.00 6.67 4.81 0.15 -3.27 114.58 123.47 1aca h GLU 60 Ca 0.00 -0.89 0.00 0.00 -0.13 0.00 0.00 59.36 58.34 1aca h GLU 60 Cb 0.37 0.33 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1aca h GLU 60 CO 0.00 1.43 0.00 -0.07 -0.73 0.00 0.00 179.01 179.64 1aca h LEU 61 N 0.14 0.00 -9.23 1.64 3.38 0.17 -3.46 115.31 107.95 1aca h LEU 61 Ca -0.27 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.04 1aca h LEU 61 Cb 2.16 0.00 0.10 0.00 0.09 0.00 0.00 40.66 43.01 1aca h LEU 61 CO 0.26 0.00 -0.06 1.17 0.09 0.00 0.00 178.44 179.90 1aca n LYS 62 N -2.66 0.71 0.00 1.13 0.00 0.11 -0.12 118.16 117.32 1aca n LYS 62 Ca 0.03 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.59 1aca n LYS 62 Cb 0.39 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.88 1aca n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aca n GLY 63 N 1.73 2.81 3.91 3.14 0.00 -1.26 -5.05 105.19 110.47 1aca n GLY 63 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.71 3.40 0.04 2.61 2.01 0.82 -5.07 115.64 116.75 1aca s THR 64 Ca 0.00 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 1aca s THR 64 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1aca s THR 64 CO 0.00 -0.46 0.18 -0.44 -0.69 0.00 0.00 174.62 173.20 1aca s SER 65 N -4.35 6.20 0.24 3.53 0.01 -1.26 -4.86 113.70 113.20 1aca s SER 65 Ca 0.56 0.24 0.11 0.00 1.31 0.00 0.00 55.95 58.18 1aca s SER 65 Cb -0.11 -1.88 0.82 0.00 0.21 0.00 0.00 66.02 65.06 1aca s SER 65 CO 0.48 0.20 1.07 0.29 0.41 0.00 0.00 173.24 175.69 1aca n LYS 66 N 0.55 -0.04 -0.02 12.44 4.76 -1.24 -1.34 118.16 133.26 1aca n LYS 66 Ca -0.08 0.96 -0.12 0.00 -2.87 0.00 0.00 58.31 56.20 1aca n LYS 66 Cb 0.52 -1.67 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 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 -0.05 -0.59 1.97 3.07 -1.85 -0.47 114.58 116.66 1aca h GLU 67 Ca 0.54 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.52 1aca h GLU 67 Cb 1.36 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 29.19 1aca h GLU 67 CO -0.55 0.61 0.03 -0.44 -1.40 0.00 0.00 179.01 177.25 1aca h ASP 68 N -0.83 -0.21 -0.27 1.42 3.32 -1.61 0.90 116.42 119.15 1aca h ASP 68 Ca -0.01 0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.24 1aca h ASP 68 Cb 0.68 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 1aca h ASP 68 CO 0.01 -0.08 -0.12 0.00 -1.72 0.00 0.00 179.24 177.32 1aca h ALA 69 N 1.52 0.09 0.05 3.45 0.00 -1.51 -0.20 119.26 122.66 1aca h ALA 69 Ca 0.30 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1aca h ALA 69 Cb 0.48 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1aca h ALA 69 CO -0.48 -0.53 -0.13 0.52 0.00 0.00 0.00 179.25 178.63 1aca h MET 70 N -0.09 -0.24 -0.62 0.00 2.86 0.24 0.62 114.93 117.69 1aca h MET 70 Ca 0.14 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1aca h MET 70 Cb 0.30 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.91 1aca h MET 70 CO -0.32 -0.16 -0.56 0.87 1.06 0.00 0.00 176.91 177.79 1aca h LYS 71 N -0.25 -0.24 -0.33 1.72 1.79 0.11 0.38 116.57 119.74 1aca h LYS 71 Ca 0.03 0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.39 1aca h LYS 71 Cb 0.28 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1aca h LYS 71 CO -0.10 -0.16 -0.28 0.00 -1.08 0.00 0.00 179.45 177.83 1aca h ALA 72 N 0.19 0.48 0.24 3.86 0.00 -0.96 -0.57 119.26 122.49 1aca h ALA 72 Ca 0.11 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1aca h ALA 72 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1aca h ALA 72 CO -0.72 0.49 -0.37 -0.92 0.00 0.00 0.00 179.25 177.73 1aca h TYR 73 N 0.55 -1.04 0.09 0.00 3.20 0.11 -0.31 116.97 119.56 1aca h TYR 73 Ca 0.06 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1aca h TYR 73 Cb 0.85 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 1aca h TYR 73 CO 0.07 -0.46 -0.46 0.82 -1.64 0.00 0.00 178.16 176.49 1aca h ILE 74 N -0.64 0.00 0.00 1.81 2.04 -0.33 0.35 117.51 120.75 1aca h ILE 74 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1aca h ILE 74 Cb 0.59 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1aca h ILE 74 CO -0.12 0.00 0.60 0.44 0.00 0.00 0.00 178.15 179.07 1aca h ASP 75 N -0.65 0.00 0.01 1.72 5.19 -0.77 0.57 116.42 122.49 1aca h ASP 75 Ca -0.00 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.00 1aca h ASP 75 Cb 0.66 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.11 1aca h ASP 75 CO -0.26 0.00 -2.31 1.17 -3.12 0.00 0.00 179.24 174.72 1aca n LYS 76 N -2.59 0.62 -0.17 3.56 3.00 0.17 -3.79 118.16 118.95 1aca n LYS 76 Ca -0.01 0.28 -0.01 0.00 -0.00 0.00 0.00 58.31 58.57 1aca n LYS 76 Cb 0.62 -1.55 0.08 0.00 0.00 0.00 0.00 35.03 34.18 1aca n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1aca h VAL 77 N -0.65 0.64 -0.90 3.15 2.07 0.18 -0.29 116.25 120.46 1aca h VAL 77 Ca -0.60 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.02 1aca h VAL 77 Cb 1.68 0.43 -0.16 0.00 -1.52 0.00 0.00 31.29 31.72 1aca h VAL 77 CO -0.27 0.04 -0.27 -0.33 0.02 0.00 0.00 177.57 176.76 1aca h GLU 78 N 0.19 -0.01 0.17 1.57 4.39 -0.14 0.35 114.58 121.11 1aca h GLU 78 Ca 0.28 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1aca h GLU 78 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1aca h GLU 78 CO -0.40 -0.01 -0.08 0.93 -1.16 0.00 0.00 179.01 178.29 1aca h GLU 79 N -0.02 -0.22 -0.44 2.33 5.08 -1.21 -3.26 114.58 116.84 1aca h GLU 79 Ca 0.40 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 1aca h GLU 79 Cb 0.64 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.84 1aca h GLU 79 CO -0.92 0.10 -0.31 -0.07 -1.00 0.00 0.00 179.01 176.81 1aca h LEU 80 N -0.56 -1.03 -0.85 1.33 3.38 0.87 0.26 115.31 118.70 1aca h LEU 80 Ca -0.02 0.19 0.35 0.00 0.09 0.00 0.00 57.88 58.49 1aca h LEU 80 Cb 0.42 0.50 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 1aca h LEU 80 CO 0.04 -0.31 0.43 1.17 0.09 0.00 0.00 178.44 179.86 1aca n LYS 81 N -5.42 -0.05 -0.09 1.13 0.00 0.92 -0.50 118.16 114.15 1aca n LYS 81 Ca 0.02 1.18 -0.16 0.00 0.00 0.00 0.00 58.31 59.35 1aca n LYS 81 Cb 0.34 -2.09 -0.09 0.00 0.00 0.00 0.00 35.03 33.18 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 -0.83 1.64 1.57 -1.23 0.51 116.57 118.22 1aca h LYS 82 Ca 0.71 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.67 1aca h LYS 82 Cb 1.85 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.00 1aca h LYS 82 CO -0.66 0.72 -0.08 0.87 -0.57 0.00 0.00 179.45 179.73 1aca h LYS 83 N -1.00 0.04 0.00 3.15 1.57 0.13 -2.40 116.57 118.06 1aca h LYS 83 Ca -0.21 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.25 1aca h LYS 83 Cb 1.02 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1aca h LYS 83 CO -0.13 0.03 -1.85 0.66 -0.57 0.00 0.00 179.45 177.59 1aca n TYR 84 N -5.46 0.45 -0.49 -1.35 4.01 0.34 -5.07 117.16 109.59 1aca n TYR 84 Ca 0.15 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 1aca n TYR 84 Cb 0.50 -1.00 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 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 1.35 0.48 0.34 2.72 0.00 0.17 -4.91 105.19 105.33 1aca n GLY 85 Ca -0.41 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.19 1aca n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61