#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 2.69 -1.45 4.33 10.64 -1.26 -4.97 117.38 127.36 1aca n GLN 2 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 1aca n GLN 2 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 1aca n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aca n ALA 3 N -3.00 4.90 0.24 2.61 0.00 -1.26 -4.52 120.51 119.48 1aca n ALA 3 Ca 0.00 -3.57 0.18 0.00 0.00 0.00 0.00 53.44 50.05 1aca n ALA 3 Cb 0.00 -3.53 0.89 0.00 0.00 0.00 0.00 19.45 16.80 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 6.58 0.00 -0.36 0.00 3.07 -1.99 1.18 114.58 123.07 1aca h GLU 4 Ca 0.54 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.43 1aca h GLU 4 Cb 0.60 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 1aca h GLU 4 CO 1.89 0.00 0.17 0.35 -1.40 0.00 0.00 179.01 180.02 1aca h PHE 5 N 0.00 0.32 0.00 4.33 3.04 -1.95 0.39 116.94 123.07 1aca h PHE 5 Ca 0.06 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1aca h PHE 5 Cb 0.43 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 1aca h PHE 5 CO 0.00 0.17 -0.05 -0.44 -2.02 0.00 0.00 178.31 175.97 1aca h ASP 6 N 0.36 0.00 0.15 0.41 3.32 0.10 0.41 116.42 121.18 1aca h ASP 6 Ca 0.15 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.00 1aca h ASP 6 Cb 0.07 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.64 1aca h ASP 6 CO -0.11 0.05 -0.90 0.50 -1.72 0.00 0.00 179.24 177.05 1aca h LYS 7 N 0.00 0.32 -0.69 3.56 3.64 0.05 -3.18 116.57 120.27 1aca h LYS 7 Ca -0.00 -0.55 0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1aca h LYS 7 Cb 0.22 0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1aca h LYS 7 CO 0.01 1.26 0.35 0.00 -2.27 0.00 0.00 179.45 178.80 1aca h ALA 8 N 0.08 0.95 0.00 5.00 0.00 0.31 0.17 119.26 125.77 1aca h ALA 8 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1aca h ALA 8 Cb 1.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1aca h ALA 8 CO 0.16 -0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.48 1aca n ALA 9 N -2.40 0.81 -0.08 0.00 0.00 0.11 -0.68 120.51 118.26 1aca n ALA 9 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1aca n ALA 9 Cb 0.25 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1aca n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aca n GLU 10 N -1.26 0.46 -0.37 0.00 -0.58 0.52 -4.39 120.64 115.03 1aca n GLU 10 Ca 0.00 0.19 -0.08 0.00 -0.42 0.00 0.00 57.16 56.84 1aca n GLU 10 Cb 0.11 -1.30 -0.06 0.00 -0.57 0.00 0.00 31.44 29.62 1aca n GLU 10 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1aca h GLU 11 N -0.85 -0.05 0.00 3.49 5.08 -0.13 0.28 114.58 122.39 1aca h GLU 11 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1aca h GLU 11 Cb 0.99 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1aca h GLU 11 CO -0.08 -0.04 0.36 -0.24 -1.00 0.00 0.00 179.01 178.02 1aca h VAL 12 N -0.06 0.00 0.00 3.13 3.04 -1.30 0.99 116.25 122.05 1aca h VAL 12 Ca 0.20 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.67 1aca h VAL 12 Cb 0.49 0.31 -0.04 0.00 -2.01 0.00 0.00 31.29 30.03 1aca h VAL 12 CO -0.90 0.00 -1.88 0.29 -1.01 0.00 0.00 177.57 174.07 1aca n LYS 13 N -2.15 0.65 0.08 4.17 5.02 0.92 -4.13 118.16 122.73 1aca n LYS 13 Ca -0.01 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 1aca n LYS 13 Cb 0.39 -1.66 0.18 0.00 -0.02 0.00 0.00 35.03 33.91 1aca n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1aca h HIS 14 N 0.00 0.00 -1.27 2.13 3.86 0.15 -3.47 115.15 116.54 1aca h HIS 14 Ca -0.28 0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.22 1aca h HIS 14 Cb 1.77 0.00 0.08 0.00 1.06 0.00 0.00 27.41 30.32 1aca h HIS 14 CO 0.00 0.00 -0.11 1.28 0.86 0.00 0.00 177.93 179.96 1aca n LEU 15 N -2.27 -0.04 0.10 2.43 4.77 -0.25 -4.64 117.00 117.09 1aca n LEU 15 Ca 0.03 1.14 0.03 0.00 -0.03 0.00 0.00 56.01 57.19 1aca n LEU 15 Cb 0.46 -1.01 0.18 0.00 -2.33 0.00 0.00 43.42 40.71 1aca n LEU 15 CO 0.36 -2.15 0.68 0.29 -1.33 0.00 0.00 177.39 175.24 1aca n LYS 16 N 1.35 0.05 -3.56 3.23 4.01 -1.26 -4.37 118.16 117.61 1aca n LYS 16 Ca 0.18 0.43 -0.07 0.00 -0.51 0.00 0.00 58.31 58.34 1aca n LYS 16 Cb 0.19 -1.99 -0.08 0.00 -0.51 0.00 0.00 35.03 32.64 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1aca s THR 17 N -2.96 -0.69 -0.65 -0.18 2.01 -1.26 -5.08 115.64 106.83 1aca s THR 17 Ca -0.01 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 1aca s THR 17 Cb 0.02 -0.75 -0.15 0.00 0.01 0.00 0.00 72.50 71.64 1aca s THR 17 CO 0.06 0.02 1.79 2.29 -0.69 0.00 0.00 174.62 178.09 1aca n LYS 18 N 5.39 0.00 -0.68 4.92 2.85 -1.26 -4.78 118.16 124.61 1aca n LYS 18 Ca -0.07 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.86 1aca n LYS 18 Cb 0.50 -1.01 0.17 0.00 -0.65 0.00 0.00 35.03 34.04 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1aca n PRO 19 N 5.68 -1.51 -1.89 -1.58 -0.02 -1.26 -4.83 135.00 129.58 1aca n PRO 19 Ca 0.44 -0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1aca n PRO 19 Cb 0.02 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 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 -2.25 3.77 0.32 3.55 0.00 -1.26 -4.75 121.76 121.13 1aca s ALA 20 Ca 0.56 1.36 0.16 0.00 0.00 0.00 0.00 51.96 54.05 1aca s ALA 20 Cb -0.13 -3.66 1.11 0.00 0.00 0.00 0.00 23.12 20.44 1aca s ALA 20 CO 0.66 -0.92 1.37 -0.25 0.00 0.00 0.00 175.76 176.62 1aca n ASP 21 N 4.55 0.26 -0.06 0.00 9.92 -1.26 0.53 116.55 130.49 1aca n ASP 21 Ca 0.15 1.45 0.03 0.00 -0.53 0.00 0.00 54.79 55.88 1aca n ASP 21 Cb 0.39 -0.68 0.37 0.00 -0.64 0.00 0.00 41.12 40.55 1aca n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1aca h GLU 22 N 0.00 0.66 0.00 -1.24 5.08 -1.99 0.53 114.58 117.62 1aca h GLU 22 Ca 0.71 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.82 1aca h GLU 22 Cb 1.85 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.92 1aca h GLU 22 CO -0.69 0.45 -1.05 0.93 -1.00 0.00 0.00 179.01 177.65 1aca h GLU 23 N 0.68 0.00 0.36 2.33 4.39 -0.26 -3.14 114.58 118.94 1aca h GLU 23 Ca 0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1aca h GLU 23 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1aca h GLU 23 CO -0.04 0.83 -0.17 0.52 -1.16 0.00 0.00 179.01 178.99 1aca h MET 24 N 0.00 -0.47 -0.25 2.33 2.86 -0.33 -1.94 114.93 117.14 1aca h MET 24 Ca -0.06 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1aca h MET 24 Cb 1.75 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 33.49 1aca h MET 24 CO 0.11 -0.24 -0.15 1.28 1.06 0.00 0.00 176.91 178.98 1aca n LEU 25 N -5.25 -0.26 0.09 1.22 4.77 0.18 0.21 117.00 117.95 1aca n LEU 25 Ca -0.10 0.67 -0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1aca n LEU 25 Cb 0.24 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1aca n LEU 25 CO 0.34 -0.47 0.80 0.15 -1.33 0.00 0.00 177.39 176.88 1aca h PHE 26 N 0.00 -0.13 -0.34 -1.77 3.04 -1.53 -2.68 116.94 113.53 1aca h PHE 26 Ca 0.04 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.06 1aca h PHE 26 Cb 0.10 0.04 -0.09 0.00 2.56 0.00 0.00 35.95 38.57 1aca h PHE 26 CO -0.47 -0.02 -0.35 0.82 -2.02 0.00 0.00 178.31 176.27 1aca h ILE 27 N -0.21 0.21 -0.24 1.41 1.08 0.20 -2.44 117.51 117.53 1aca h ILE 27 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1aca h ILE 27 Cb 0.17 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.07 1aca h ILE 27 CO 0.02 0.00 -0.44 0.22 -0.69 0.00 0.00 178.15 177.26 1aca h TYR 28 N -0.31 -1.34 -0.62 1.37 3.20 -0.06 0.16 116.97 119.37 1aca h TYR 28 Ca 0.15 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.17 1aca h TYR 28 Cb 0.56 0.62 -0.11 0.00 1.54 0.00 0.00 36.73 39.33 1aca h TYR 28 CO -0.53 -0.41 -0.44 0.66 -1.64 0.00 0.00 178.16 175.79 1aca h SER 29 N -0.38 -1.54 -0.12 -2.11 4.64 -1.12 0.27 113.55 113.19 1aca h SER 29 Ca 0.04 0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1aca h SER 29 Cb 0.51 0.70 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1aca h SER 29 CO -0.43 -0.33 0.02 0.45 -0.87 0.00 0.00 176.83 175.67 1aca h HIS 30 N -0.21 0.21 -0.22 4.77 3.86 -1.24 -1.26 115.15 121.07 1aca h HIS 30 Ca 0.19 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1aca h HIS 30 Cb 0.56 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.91 1aca h HIS 30 CO -0.74 0.40 -0.47 -0.92 0.86 0.00 0.00 177.93 177.06 1aca h TYR 31 N -0.04 -1.42 -0.83 2.45 3.20 0.24 -0.69 116.97 119.89 1aca h TYR 31 Ca 0.03 0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1aca h TYR 31 Cb 0.30 0.65 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 1aca h TYR 31 CO 0.02 -0.44 0.51 0.87 -1.64 0.00 0.00 178.16 177.48 1aca h LYS 32 N -0.42 0.92 0.36 1.82 1.79 -0.54 0.19 116.57 120.68 1aca h LYS 32 Ca 0.04 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1aca h LYS 32 Cb 0.55 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1aca h LYS 32 CO -0.43 0.61 -0.17 1.96 -1.08 0.00 0.00 179.45 180.33 1aca h GLN 33 N 0.95 -0.46 -0.53 3.15 1.08 -0.89 0.73 115.11 119.12 1aca h GLN 33 Ca 0.36 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.68 1aca h GLN 33 Cb 0.14 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.60 1aca h GLN 33 CO -0.16 -0.18 0.11 0.00 -0.95 0.00 0.00 178.83 177.65 1aca h ALA 34 N -0.17 0.61 0.00 3.87 0.00 -0.73 -1.70 119.26 121.14 1aca h ALA 34 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1aca h ALA 34 Cb 0.49 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1aca h ALA 34 CO 0.08 -0.30 -0.40 1.79 0.00 0.00 0.00 179.25 180.42 1aca h THR 35 N 0.25 0.58 0.00 0.00 1.35 -0.64 -3.44 112.91 111.01 1aca h THR 35 Ca 0.27 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1aca h THR 35 Cb 0.37 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1aca h THR 35 CO -0.35 0.20 0.00 0.52 -0.25 0.00 0.00 175.52 175.64 1aca n VAL 36 N -4.63 0.00 0.00 6.82 0.31 0.24 -5.05 118.33 116.02 1aca n VAL 36 Ca -0.11 0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1aca n VAL 36 Cb 0.32 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 1.92 2.49 0.00 2.92 0.00 -0.50 -4.98 105.19 107.05 1aca n GLY 37 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1aca n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aca n ASP 38 N 0.00 0.00 0.00 1.61 9.92 -1.26 -4.45 116.55 122.37 1aca n ASP 38 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1aca n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1aca n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aca n ILE 39 N 0.00 0.00 -1.69 0.53 3.06 -1.26 -4.91 119.36 115.09 1aca n ILE 39 Ca 0.00 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.27 1aca n ILE 39 Cb 0.00 0.00 0.18 0.00 0.54 0.00 0.00 39.64 40.36 1aca n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1aca n ASN 40 N 0.00 2.07 -4.55 9.51 0.23 -1.26 -5.04 115.26 116.22 1aca n ASN 40 Ca 0.00 -3.81 -0.29 0.00 -0.53 0.00 0.00 54.58 49.95 1aca n ASN 40 Cb 0.00 -0.50 -0.09 0.00 -2.08 0.00 0.00 39.78 37.11 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 -3.29 1.21 0.38 5.53 -4.23 -1.26 -5.16 115.64 108.82 1aca s THR 41 Ca 0.39 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1aca s THR 41 Cb 0.38 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1aca s THR 41 CO -0.06 0.00 0.25 -1.61 -0.54 0.00 0.00 174.62 172.66 1aca s GLU 42 N -3.81 2.47 0.59 3.99 2.02 -1.26 -5.10 118.70 117.60 1aca s GLU 42 Ca 0.20 -1.55 -0.18 0.00 0.02 0.00 0.00 54.97 53.46 1aca s GLU 42 Cb 0.04 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1aca s GLU 42 CO 0.10 -0.03 1.15 0.50 0.02 0.00 0.00 175.26 177.01 1aca s ARG 43 N -3.97 3.05 0.00 1.61 3.52 -1.26 -4.89 118.95 117.00 1aca s ARG 43 Ca 0.42 1.64 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 1aca s ARG 43 Cb -0.02 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1aca s ARG 43 CO 0.25 -1.10 0.00 -2.30 -0.81 0.00 0.00 175.30 171.34 1aca n PRO 44 N -1.71 0.00 0.00 5.12 -0.01 -1.26 -4.98 135.00 132.15 1aca n PRO 44 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.61 1aca n PRO 44 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.00 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 0.00 6.11 0.00 -1.23 0.00 -1.26 -4.84 105.19 103.98 1aca n GLY 45 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.83 1.61 0.00 -1.26 -2.32 117.12 112.32 1aca n MET 46 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 1aca n MET 46 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 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 -1.67 4.05 0.00 3.17 4.77 -1.26 -5.03 117.00 121.03 1aca n LEU 47 Ca 0.00 -5.41 0.00 0.00 -0.03 0.00 0.00 56.01 50.57 1aca n LEU 47 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1aca n LEU 47 CO 0.00 2.29 0.00 0.47 -1.33 0.00 0.00 177.39 178.82 1aca n ASP 48 N -0.25 0.00 -0.35 -1.43 8.00 -0.98 0.16 116.55 121.70 1aca n ASP 48 Ca 0.32 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.80 1aca n ASP 48 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.64 1aca n ASP 48 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1aca h PHE 49 N 0.00 -1.08 0.55 1.24 -0.00 -1.95 0.15 116.94 115.84 1aca h PHE 49 Ca 0.00 0.10 -0.03 0.00 -0.00 0.00 0.00 57.97 58.04 1aca h PHE 49 Cb 0.00 0.61 0.01 0.00 -0.00 0.00 0.00 35.95 36.56 1aca h PHE 49 CO 0.00 -0.40 -0.26 -0.22 -0.00 0.00 0.00 178.31 177.43 1aca h LYS 50 N -0.03 -0.71 -0.98 6.09 3.64 -0.90 0.32 116.57 124.01 1aca h LYS 50 Ca 0.32 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.97 1aca h LYS 50 Cb 0.59 0.16 -0.18 0.00 -0.41 0.00 0.00 32.23 32.38 1aca h LYS 50 CO -0.94 -0.47 -0.14 0.78 -2.27 0.00 0.00 179.45 176.41 1aca h GLY 51 N -0.78 0.91 0.04 5.01 0.00 0.61 0.23 103.07 109.09 1aca h GLY 51 Ca -0.08 0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1aca h GLY 51 CO 0.12 -0.42 -0.01 1.70 0.00 0.00 0.00 176.54 177.93 1aca h LYS 52 N 0.01 -0.02 -0.59 4.80 3.11 -0.69 -0.99 116.57 122.19 1aca h LYS 52 Ca 0.52 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 58.44 1aca h LYS 52 Cb 0.91 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 32.05 1aca h LYS 52 CO -0.97 0.55 -0.26 0.00 -2.81 0.00 0.00 179.45 175.96 1aca n ALA 53 N -2.67 -0.14 0.25 5.00 0.00 0.11 0.16 120.51 123.22 1aca n ALA 53 Ca -0.06 0.57 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 1aca n ALA 53 Cb 0.28 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.64 -0.15 0.00 -0.00 -0.72 0.21 116.57 115.27 1aca h LYS 54 Ca 0.18 0.04 0.02 0.00 -0.00 0.00 0.00 60.65 60.89 1aca h LYS 54 Cb 0.33 0.15 -0.02 0.00 -0.00 0.00 0.00 32.23 32.68 1aca h LYS 54 CO -0.58 -0.43 -0.14 2.35 -0.00 0.00 0.00 179.45 180.65 1aca h TRP 55 N -0.83 -0.43 -0.27 0.07 7.01 0.11 -0.65 115.95 120.96 1aca h TRP 55 Ca -0.07 0.02 0.04 0.00 2.11 0.00 0.00 58.89 60.99 1aca h TRP 55 Cb 0.51 0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 27.72 1aca h TRP 55 CO 0.06 -0.11 -0.44 -0.44 -2.79 0.00 0.00 178.44 174.73 1aca h ASP 56 N -0.06 -1.45 -0.66 2.65 5.19 0.14 0.43 116.42 122.66 1aca h ASP 56 Ca 0.03 0.19 0.14 0.00 -0.62 0.00 0.00 57.03 56.76 1aca h ASP 56 Cb 0.13 0.59 -0.12 0.00 0.18 0.00 0.00 39.33 40.10 1aca h ASP 56 CO -0.17 -0.33 -0.10 0.00 -3.12 0.00 0.00 179.24 175.51 1aca h ALA 57 N -0.36 0.53 0.28 3.45 0.00 -0.65 -0.87 119.26 121.63 1aca h ALA 57 Ca 0.05 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1aca h ALA 57 Cb 0.48 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1aca h ALA 57 CO -0.44 -0.42 -0.13 2.35 0.00 0.00 0.00 179.25 180.60 1aca h TRP 58 N 0.04 -0.35 -1.18 0.00 7.01 -0.21 -3.01 115.95 118.25 1aca h TRP 58 Ca 0.33 -0.01 0.34 0.00 2.11 0.00 0.00 58.89 61.67 1aca h TRP 58 Cb 0.54 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.66 1aca h TRP 58 CO -0.48 -0.04 0.94 -0.97 -2.79 0.00 0.00 178.44 175.10 1aca h ASN 59 N -0.65 0.00 -0.22 2.65 -1.24 0.33 0.78 115.58 117.23 1aca h ASN 59 Ca -0.04 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.84 1aca h ASN 59 Cb 0.46 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1aca h ASN 59 CO 0.06 0.00 -0.32 -0.08 -1.29 0.00 0.00 177.43 175.80 1aca h GLU 60 N 0.00 0.73 0.09 6.67 4.81 -1.03 -3.20 114.58 122.65 1aca h GLU 60 Ca 0.56 -0.34 -0.26 0.00 -0.13 0.00 0.00 59.36 59.20 1aca h GLU 60 Cb 2.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.82 1aca h GLU 60 CO -0.01 0.95 -1.14 -0.07 -0.73 0.00 0.00 179.01 178.01 1aca h LEU 61 N 0.61 0.45 -5.95 1.64 3.38 0.51 -3.47 115.31 112.48 1aca h LEU 61 Ca 0.07 -0.44 -0.54 0.00 0.09 0.00 0.00 57.88 57.07 1aca h LEU 61 Cb 0.84 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.48 1aca h LEU 61 CO 0.07 1.30 0.14 1.17 0.09 0.00 0.00 178.44 181.21 1aca n LYS 62 N -3.60 0.00 0.00 1.13 4.81 -0.76 -0.16 118.16 119.58 1aca n LYS 62 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1aca n LYS 62 Cb 0.96 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 35.02 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 1.38 2.31 3.77 3.14 0.00 -1.26 -5.04 105.19 109.49 1aca n GLY 63 Ca 0.15 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.78 2.97 0.25 2.61 2.01 0.77 -5.02 115.64 118.45 1aca s THR 64 Ca 0.00 0.79 -0.21 0.00 0.31 0.00 0.00 61.69 62.58 1aca s THR 64 Cb 0.00 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1aca s THR 64 CO 0.00 0.05 0.79 -0.94 -0.69 0.00 0.00 174.62 173.83 1aca s SER 65 N -1.12 7.13 0.27 3.53 1.04 -1.26 -4.78 113.70 118.52 1aca s SER 65 Ca 0.60 1.54 0.17 0.00 0.48 0.00 0.00 55.95 58.73 1aca s SER 65 Cb -0.32 -2.47 0.98 0.00 0.10 0.00 0.00 66.02 64.31 1aca s SER 65 CO 0.40 -0.00 1.11 0.29 0.98 0.00 0.00 173.24 176.02 1aca n LYS 66 N 0.65 -0.04 0.08 4.02 5.02 -1.26 -1.48 118.16 125.15 1aca n LYS 66 Ca -0.01 0.96 -0.22 0.00 -2.02 0.00 0.00 58.31 57.02 1aca n LYS 66 Cb 0.51 -1.75 -0.15 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.38 -0.44 1.97 4.39 -1.93 -1.28 114.58 117.67 1aca h GLU 67 Ca 0.61 -0.65 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1aca h GLU 67 Cb 1.68 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 30.55 1aca h GLU 67 CO -0.50 1.31 0.28 -0.44 -1.16 0.00 0.00 179.01 178.51 1aca h ASP 68 N -0.18 0.52 0.01 1.42 3.32 -1.66 0.24 116.42 120.09 1aca h ASP 68 Ca -0.20 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1aca h ASP 68 Cb 1.84 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 41.21 1aca h ASP 68 CO 0.19 0.40 -0.41 0.00 -1.72 0.00 0.00 179.24 177.69 1aca h ALA 69 N 1.14 -0.67 -0.17 3.45 0.00 -1.37 -2.38 119.26 119.27 1aca h ALA 69 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1aca h ALA 69 Cb -0.04 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1aca h ALA 69 CO -0.03 -0.95 -0.47 0.52 0.00 0.00 0.00 179.25 178.31 1aca h MET 70 N -0.57 -0.45 -0.64 0.00 2.86 0.21 0.23 114.93 116.55 1aca h MET 70 Ca 0.05 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1aca h MET 70 Cb 0.65 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.32 1aca h MET 70 CO -0.31 -0.30 -0.31 1.63 1.06 0.00 0.00 176.91 178.68 1aca n LYS 71 N -5.03 -0.21 0.07 1.72 5.02 0.66 0.11 118.16 120.50 1aca n LYS 71 Ca -0.05 0.98 -0.21 0.00 -2.02 0.00 0.00 58.31 57.01 1aca n LYS 71 Cb 0.32 -1.45 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aca h ALA 72 N 0.63 -0.06 -0.57 7.82 0.00 -1.21 -2.71 119.26 123.16 1aca h ALA 72 Ca 0.17 -0.72 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1aca h ALA 72 Cb 0.33 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1aca h ALA 72 CO -0.62 0.49 -0.51 -0.92 0.00 0.00 0.00 179.25 177.68 1aca h TYR 73 N -0.11 -1.55 0.12 0.00 3.20 0.31 0.18 116.97 119.11 1aca h TYR 73 Ca -0.16 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.81 1aca h TYR 73 Cb 1.73 0.76 -0.03 0.00 1.54 0.00 0.00 36.73 40.73 1aca h TYR 73 CO 0.16 -0.45 -0.34 0.82 -1.64 0.00 0.00 178.16 176.71 1aca h ILE 74 N -0.27 0.00 -1.18 1.81 2.04 -0.45 0.57 117.51 120.03 1aca h ILE 74 Ca 0.13 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.33 1aca h ILE 74 Cb 0.56 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1aca h ILE 74 CO -0.69 0.00 0.83 0.44 0.00 0.00 0.00 178.15 178.73 1aca h ASP 75 N -0.52 0.09 0.17 1.72 5.19 -1.05 0.46 116.42 122.49 1aca h ASP 75 Ca -0.01 0.02 -0.26 0.00 -0.62 0.00 0.00 57.03 56.17 1aca h ASP 75 Cb 0.50 0.01 0.02 0.00 0.18 0.00 0.00 39.33 40.04 1aca h ASP 75 CO -0.16 0.01 -1.17 0.11 -3.12 0.00 0.00 179.24 174.91 1aca h LYS 76 N 0.08 0.36 -0.94 3.56 1.79 0.14 -2.42 116.57 119.15 1aca h LYS 76 Ca 0.59 -0.62 0.09 0.00 -2.18 0.00 0.00 60.65 58.53 1aca h LYS 76 Cb 2.17 0.23 -0.07 0.00 -1.58 0.00 0.00 32.23 32.98 1aca h LYS 76 CO -0.08 1.30 0.60 0.28 -1.08 0.00 0.00 179.45 180.47 1aca h VAL 77 N -0.19 0.99 -0.43 0.50 2.07 0.36 0.26 116.25 119.81 1aca h VAL 77 Ca -0.22 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.06 1aca h VAL 77 Cb 1.84 -0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 1aca h VAL 77 CO 0.17 0.18 -0.25 -0.08 0.02 0.00 0.00 177.57 177.61 1aca h GLU 78 N 0.97 -0.16 -0.62 1.57 4.22 -0.12 -0.96 114.58 119.49 1aca h GLU 78 Ca 0.43 0.01 0.12 0.00 0.08 0.00 0.00 59.36 60.00 1aca h GLU 78 Cb 0.36 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.53 1aca h GLU 78 CO -0.19 -0.11 -0.24 0.93 -2.18 0.00 0.00 179.01 177.22 1aca h GLU 79 N -0.17 -0.08 -0.89 1.92 5.08 0.02 0.70 114.58 121.18 1aca h GLU 79 Ca 0.20 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.78 1aca h GLU 79 Cb 0.49 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 1aca h GLU 79 CO -0.53 -0.05 0.39 -0.07 -1.00 0.00 0.00 179.01 177.74 1aca h LEU 80 N -0.08 0.33 -1.34 1.33 -0.00 -1.11 0.16 115.31 114.60 1aca h LEU 80 Ca 0.28 0.15 0.42 0.00 -0.00 0.00 0.00 57.88 58.73 1aca h LEU 80 Cb 0.52 0.13 -0.13 0.00 -0.00 0.00 0.00 40.66 41.17 1aca h LEU 80 CO -0.67 0.01 0.80 0.50 -0.00 0.00 0.00 178.44 179.08 1aca h LYS 81 N 0.41 0.10 0.01 1.13 1.63 -0.46 0.29 116.57 119.68 1aca h LYS 81 Ca 0.55 -0.01 -0.38 0.00 -0.85 0.00 0.00 60.65 59.96 1aca h LYS 81 Cb 1.02 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.57 1aca h LYS 81 CO -0.52 0.07 -2.12 1.63 -3.45 0.00 0.00 179.45 175.06 1aca n LYS 82 N -4.76 0.60 -0.11 1.90 5.02 0.33 -1.70 118.16 119.43 1aca n LYS 82 Ca 0.37 0.34 -0.05 0.00 -2.02 0.00 0.00 58.31 56.95 1aca n LYS 82 Cb 1.37 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 34.81 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 -0.81 0.02 0.00 1.97 1.57 -0.20 -3.33 116.57 115.80 1aca h LYS 83 Ca -0.57 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 57.92 1aca h LYS 83 Cb 1.59 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.85 1aca h LYS 83 CO -0.29 0.01 -2.02 0.66 -0.57 0.00 0.00 179.45 177.25 1aca n TYR 84 N -5.27 0.00 -0.03 -1.35 4.01 0.95 -5.06 117.16 110.41 1aca n TYR 84 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1aca n TYR 84 Cb 0.21 -0.66 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 2.08 0.56 0.80 2.72 0.00 -0.69 -4.72 105.19 105.94 1aca n GLY 85 Ca -0.35 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.15 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83