#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqz s THR 2 N 0.00 4.33 -0.02 0.00 2.01 -1.26 0.26 115.64 120.96 1aqz s THR 2 Ca 0.00 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1aqz s THR 2 Cb 0.00 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1aqz s THR 2 CO 0.00 0.41 0.00 0.26 -0.69 0.00 0.00 174.62 174.60 1aqz s TRP 3 N 0.97 3.10 -0.17 4.92 0.52 -0.16 -4.43 118.94 123.69 1aqz s TRP 3 Ca 0.03 0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.26 1aqz s TRP 3 Cb -0.14 -1.70 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1aqz s TRP 3 CO 0.02 0.46 -0.17 0.99 0.02 0.00 0.00 176.95 178.27 1aqz s THR 4 N -1.05 1.84 0.12 2.01 2.01 0.49 -1.29 115.64 119.78 1aqz s THR 4 Ca 0.18 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1aqz s THR 4 Cb -0.11 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1aqz s THR 4 CO 0.09 0.50 0.02 0.00 -0.69 0.00 0.00 174.62 174.54 1aqz s ILE 6 N -1.48 3.45 -0.06 0.00 -1.09 -1.26 -0.76 121.20 120.00 1aqz s ILE 6 Ca 0.27 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1aqz s ILE 6 Cb -0.11 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 38.26 1aqz s ILE 6 CO 0.19 0.46 -0.05 0.21 -1.23 0.00 0.00 174.94 174.52 1aqz s ASN 7 N 0.94 1.34 -0.00 3.58 3.04 0.57 -4.80 114.94 119.60 1aqz s ASN 7 Ca -0.01 -0.17 -0.30 0.00 0.04 0.00 0.00 52.86 52.42 1aqz s ASN 7 Cb -0.15 -0.56 -0.03 0.00 -1.54 0.00 0.00 41.25 38.97 1aqz s ASN 7 CO 0.01 -0.07 1.03 -1.58 -3.04 0.00 0.00 177.10 173.45 1aqz s GLN 8 N 1.13 4.51 0.01 0.43 0.74 -0.61 -0.19 119.66 125.68 1aqz s GLN 8 Ca -0.07 1.49 0.03 0.00 0.05 0.00 0.00 55.36 56.85 1aqz s GLN 8 Cb -0.14 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 1aqz s GLN 8 CO -0.01 -0.14 -0.09 -0.65 -0.55 0.00 0.00 175.29 173.85 1aqz s GLN 9 N 1.19 0.67 -0.33 1.67 -0.21 0.15 -0.89 119.66 121.91 1aqz s GLN 9 Ca 0.53 -0.43 -0.29 0.00 0.02 0.00 0.00 55.36 55.19 1aqz s GLN 9 Cb -0.22 -0.62 -0.00 0.00 1.00 0.00 0.00 33.01 33.16 1aqz s GLN 9 CO 0.27 0.16 1.42 -1.17 -2.12 0.00 0.00 175.29 173.85 1aqz s LEU 10 N -0.54 3.75 -0.82 2.90 2.96 -1.26 0.11 118.68 125.78 1aqz s LEU 10 Ca 0.01 1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 1aqz s LEU 10 Cb -0.05 -3.54 0.35 0.00 0.50 0.00 0.00 46.19 43.46 1aqz s LEU 10 CO 0.00 -1.27 1.90 0.79 -1.32 0.00 0.00 176.35 176.45 1aqz n TRP 17 N 8.33 3.02 -2.64 5.38 5.03 -1.26 -5.11 117.44 130.18 1aqz n TRP 17 Ca 0.16 -2.45 -0.34 0.00 3.03 0.00 0.00 57.50 57.91 1aqz n TRP 17 Cb 0.47 -1.07 -0.05 0.00 -1.03 0.00 0.00 31.31 29.63 1aqz n TRP 17 CO 0.00 0.00 0.00 -1.83 -0.03 0.00 0.00 177.69 175.83 1aqz s GLU 18 N -4.05 3.95 -0.51 -0.99 1.03 0.30 -4.98 118.70 113.46 1aqz s GLU 18 Ca 0.50 1.28 -0.22 0.00 0.03 0.00 0.00 54.97 56.56 1aqz s GLU 18 Cb 0.41 -2.13 0.04 0.00 -0.80 0.00 0.00 34.13 31.65 1aqz s GLU 18 CO -0.36 -0.29 0.80 -0.51 -1.33 0.00 0.00 175.26 173.56 1aqz s ASP 19 N -2.04 6.32 0.04 0.83 1.01 -1.26 0.35 116.67 121.92 1aqz s ASP 19 Ca 0.65 -0.45 -0.10 0.00 0.71 0.00 0.00 52.55 53.36 1aqz s ASP 19 Cb -0.14 -2.38 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1aqz s ASP 19 CO 0.18 -1.03 0.37 -0.54 0.21 0.00 0.00 175.17 174.36 1aqz s LYS 20 N 3.36 3.76 -0.17 8.23 -0.14 0.73 -4.89 119.74 130.62 1aqz s LYS 20 Ca 0.25 0.18 -0.06 0.00 -1.36 0.00 0.00 55.97 54.98 1aqz s LYS 20 Cb -0.14 -3.06 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 1aqz s LYS 20 CO 0.18 0.61 0.04 1.03 -0.76 0.00 0.00 175.35 176.45 1aqz s ARG 21 N -1.67 3.84 -0.04 1.68 0.52 -1.26 -0.32 118.95 121.70 1aqz s ARG 21 Ca 0.29 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1aqz s ARG 21 Cb -0.14 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1aqz s ARG 21 CO 0.16 0.31 -0.20 -0.51 0.02 0.00 0.00 175.30 175.08 1aqz s LEU 22 N 0.24 1.98 -0.00 2.53 1.43 0.06 -4.98 118.68 119.94 1aqz s LEU 22 Ca 0.03 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1aqz s LEU 22 Cb -0.13 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1aqz s LEU 22 CO 0.01 0.19 -0.17 -0.76 0.23 0.00 0.00 176.35 175.86 1aqz s LEU 23 N -0.09 2.65 0.02 1.79 1.43 -1.26 -0.27 118.68 122.95 1aqz s LEU 23 Ca -0.02 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1aqz s LEU 23 Cb -0.12 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1aqz s LEU 23 CO 0.02 0.30 -0.05 -0.31 0.23 0.00 0.00 176.35 176.54 1aqz s TYR 24 N -0.83 0.44 -0.15 0.29 1.51 -0.41 -4.34 117.35 113.86 1aqz s TYR 24 Ca 0.13 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.72 1aqz s TYR 24 Cb -0.11 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1aqz s TYR 24 CO 0.03 -0.07 0.41 0.45 -1.11 0.00 0.00 175.55 175.27 1aqz s SER 25 N -0.89 6.56 0.24 2.29 0.15 -1.26 -0.98 113.70 119.81 1aqz s SER 25 Ca -0.06 0.66 -0.07 0.00 0.70 0.00 0.00 55.95 57.19 1aqz s SER 25 Cb -0.06 -2.25 0.26 0.00 -1.71 0.00 0.00 66.02 62.26 1aqz s SER 25 CO -0.00 0.00 1.91 -0.61 1.20 0.00 0.00 173.24 175.74 1aqz h GLN 26 N 6.87 1.20 -0.80 5.44 4.15 -0.57 -2.11 115.11 129.29 1aqz h GLN 26 Ca -0.40 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1aqz h GLN 26 Cb 1.17 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 1aqz h GLN 26 CO 0.75 0.80 0.45 0.00 -1.93 0.00 0.00 178.83 178.89 1aqz h ALA 27 N 1.36 1.28 -0.30 3.38 0.00 -1.94 0.12 119.26 123.16 1aqz h ALA 27 Ca 0.36 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1aqz h ALA 27 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1aqz h ALA 27 CO -0.09 0.59 -0.12 0.87 0.00 0.00 0.00 179.25 180.50 1aqz h LYS 28 N 1.12 0.61 -0.49 0.00 1.57 -1.87 0.14 116.57 117.65 1aqz h LYS 28 Ca 0.29 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1aqz h LYS 28 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1aqz h LYS 28 CO -0.05 0.83 0.10 0.00 -0.57 0.00 0.00 179.45 179.76 1aqz h ALA 29 N 0.76 0.65 -0.34 3.86 0.00 -0.99 -1.97 119.26 121.23 1aqz h ALA 29 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1aqz h ALA 29 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1aqz h ALA 29 CO 0.04 0.36 0.15 0.93 0.00 0.00 0.00 179.25 180.73 1aqz h GLU 30 N 0.68 0.50 -0.65 0.00 5.08 -0.60 -2.40 114.58 117.18 1aqz h GLU 30 Ca 0.15 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1aqz h GLU 30 Cb 0.36 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1aqz h GLU 30 CO 0.01 0.48 0.43 1.03 -1.00 0.00 0.00 179.01 179.96 1aqz h SER 31 N 0.40 0.60 -0.61 1.42 0.87 -0.47 -2.03 113.55 113.74 1aqz h SER 31 Ca 0.11 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1aqz h SER 31 Cb 0.16 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1aqz h SER 31 CO -0.01 0.40 0.39 0.78 -0.53 0.00 0.00 176.83 177.86 1aqz h ASN 32 N 0.69 0.67 0.10 6.23 -0.26 -0.90 -2.05 115.58 120.06 1aqz h ASN 32 Ca 0.28 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.95 1aqz h ASN 32 Cb 0.21 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1aqz h ASN 32 CO -0.08 0.48 -0.19 0.77 -1.06 0.00 0.00 177.43 177.35 1aqz h SER 33 N 0.79 0.17 0.19 5.81 4.64 -0.91 -2.65 113.55 121.59 1aqz h SER 33 Ca 0.23 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1aqz h SER 33 Cb -0.05 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1aqz h SER 33 CO -0.07 0.37 -0.42 0.45 -0.87 0.00 0.00 176.83 176.30 1aqz h HIS 34 N 0.16 0.35 0.00 4.77 3.86 -0.95 -3.05 115.15 120.30 1aqz h HIS 34 Ca 0.03 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1aqz h HIS 34 Cb 0.43 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1aqz h HIS 34 CO 0.00 0.67 -0.46 0.72 0.86 0.00 0.00 177.93 179.73 1aqz n HIS 35 N -4.02 0.58 -2.18 2.45 8.25 -1.06 -4.89 115.22 114.35 1aqz n HIS 35 Ca -0.02 0.17 -0.37 0.00 -0.26 0.00 0.00 57.72 57.24 1aqz n HIS 35 Cb 0.49 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.91 1aqz n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aqz s ALA 36 N -3.14 2.98 0.73 -1.41 0.00 -1.01 -4.99 121.76 114.93 1aqz s ALA 36 Ca 0.08 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1aqz s ALA 36 Cb 0.14 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1aqz s ALA 36 CO 0.69 -0.75 1.09 -2.14 0.00 0.00 0.00 175.76 174.65 1aqz s PRO 37 N -2.67 2.46 -1.14 0.00 0.02 -1.26 -4.92 135.00 127.49 1aqz s PRO 37 Ca 0.64 1.22 -0.09 0.00 0.02 0.00 0.00 61.00 62.78 1aqz s PRO 37 Cb -0.31 -1.92 0.26 0.00 0.02 0.00 0.00 34.50 32.55 1aqz s PRO 37 CO 0.38 -1.49 1.25 -0.11 -0.33 0.00 0.00 177.00 176.69 1aqz n LEU 38 N -3.17 5.60 -3.98 -5.54 7.94 -1.26 -4.74 117.00 111.85 1aqz n LEU 38 Ca 0.09 -4.93 -0.10 0.00 -1.11 0.00 0.00 56.01 49.97 1aqz n LEU 38 Cb 0.53 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 1aqz n LEU 38 CO 0.52 1.26 0.01 -0.94 -1.11 0.00 0.00 177.39 177.12 1aqz s SER 39 N 1.28 0.01 -0.36 1.96 1.04 -1.26 -5.14 113.70 111.24 1aqz s SER 39 Ca 0.34 -0.92 -0.00 0.00 0.48 0.00 0.00 55.95 55.85 1aqz s SER 39 Cb -0.06 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.62 1aqz s SER 39 CO -0.04 -0.94 0.10 -0.62 0.98 0.00 0.00 173.24 172.72 1aqz s ASP 40 N -2.99 4.99 -1.81 7.02 2.15 -1.26 -4.48 116.67 120.29 1aqz s ASP 40 Ca 0.20 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.25 1aqz s ASP 40 Cb 0.03 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 1aqz s ASP 40 CO 0.03 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1aqz n GLY 41 N 4.47 0.44 1.89 2.66 0.00 0.29 -4.84 105.19 110.10 1aqz n GLY 41 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1aqz n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aqz n LYS 42 N -2.69 4.87 -4.24 1.61 4.01 -1.26 -4.76 118.16 115.71 1aqz n LYS 42 Ca -0.21 -3.16 -0.24 0.00 -0.51 0.00 0.00 58.31 54.18 1aqz n LYS 42 Cb 0.66 -2.26 -0.08 0.00 -0.51 0.00 0.00 35.03 32.84 1aqz n LYS 42 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1aqz s THR 43 N -2.74 2.58 0.29 -0.18 -4.23 -1.26 -5.03 115.64 105.06 1aqz s THR 43 Ca 0.55 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1aqz s THR 43 Cb 0.42 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.63 1aqz s THR 43 CO 0.16 -0.12 1.88 1.23 -0.54 0.00 0.00 174.62 177.23 1aqz h GLY 44 N 1.63 1.49 1.50 3.99 0.00 -1.77 -2.52 103.07 107.38 1aqz h GLY 44 Ca -0.43 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1aqz h GLY 44 CO 0.68 0.26 -0.38 1.48 0.00 0.00 0.00 176.54 178.57 1aqz h SER 45 N 1.05 0.00 0.00 0.19 4.64 -0.82 -3.43 113.55 115.18 1aqz h SER 45 Ca 0.44 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1aqz h SER 45 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1aqz h SER 45 CO -0.20 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.29 1aqz n SER 46 N -2.20 -0.41 -4.48 4.97 3.41 -0.95 -5.05 113.62 108.90 1aqz n SER 46 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 1aqz n SER 46 Cb 0.44 -0.07 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 1aqz n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1aqz s TYR 47 N -2.87 2.67 0.65 7.33 2.02 -1.26 -3.91 117.35 121.98 1aqz s TYR 47 Ca 0.00 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.40 1aqz s TYR 47 Cb 0.00 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 1aqz s TYR 47 CO 0.00 0.22 1.05 -1.25 -1.57 0.00 0.00 175.55 174.00 1aqz s PRO 48 N -1.03 3.22 0.12 -1.71 0.04 -1.26 -4.68 135.00 129.70 1aqz s PRO 48 Ca 0.13 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 1aqz s PRO 48 Cb -0.11 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1aqz s PRO 48 CO 0.03 -0.87 0.09 -3.38 0.04 0.00 0.00 177.00 172.90 1aqz s HIS 49 N -2.93 0.68 0.24 0.56 -3.43 -0.96 0.11 115.29 109.55 1aqz s HIS 49 Ca 0.59 -1.09 -0.31 0.00 -0.80 0.00 0.00 55.06 53.45 1aqz s HIS 49 Cb -0.13 -0.37 -0.12 0.00 -1.43 0.00 0.00 32.58 30.53 1aqz s HIS 49 CO 0.49 -0.53 1.61 1.87 -2.00 0.00 0.00 174.74 176.18 1aqz n TRP 50 N -0.08 2.63 -3.70 0.38 -0.00 -1.26 -0.58 117.44 114.83 1aqz n TRP 50 Ca -0.08 0.21 -0.38 0.00 -0.00 0.00 0.00 57.50 57.25 1aqz n TRP 50 Cb 0.63 -2.59 -0.11 0.00 -0.00 0.00 0.00 31.31 29.23 1aqz n TRP 50 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1aqz s PHE 51 N 0.51 3.36 0.41 5.87 5.36 0.21 -4.79 117.98 128.90 1aqz s PHE 51 Ca 0.71 -1.69 0.07 0.00 -0.96 0.00 0.00 56.93 55.05 1aqz s PHE 51 Cb -0.55 -2.76 0.84 0.00 -0.34 0.00 0.00 43.02 40.21 1aqz s PHE 51 CO 0.42 -0.84 2.04 1.79 -1.46 0.00 0.00 175.22 177.17 1aqz h THR 52 N 6.19 1.11 -2.91 0.12 1.35 -1.88 -3.39 112.91 113.50 1aqz h THR 52 Ca -0.21 -0.27 -0.40 0.00 -0.55 0.00 0.00 66.41 64.98 1aqz h THR 52 Cb 1.07 0.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 1aqz h THR 52 CO 0.69 0.12 -0.49 -3.20 -0.25 0.00 0.00 175.52 172.39 1aqz n ASN 53 N -4.45 -5.61 0.00 5.36 5.15 -1.26 -1.98 115.26 112.47 1aqz n ASN 53 Ca 0.03 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1aqz n ASN 53 Cb 0.09 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 34.63 1aqz n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1aqz n GLY 54 N -0.92 0.75 3.88 8.20 0.00 -1.26 -4.15 105.19 111.69 1aqz n GLY 54 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1aqz n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aqz s TYR 55 N -3.00 3.18 0.69 1.61 2.02 -0.84 -1.07 117.35 119.94 1aqz s TYR 55 Ca 0.00 -0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 1aqz s TYR 55 Cb 0.00 -1.55 0.13 0.00 -0.40 0.00 0.00 41.96 40.13 1aqz s TYR 55 CO 0.00 0.41 0.94 0.16 -1.57 0.00 0.00 175.55 175.49 1aqz s ASP 56 N -3.93 4.53 0.39 2.29 1.47 0.11 -4.83 116.67 116.70 1aqz s ASP 56 Ca 0.35 -0.68 0.27 0.00 1.18 0.00 0.00 52.55 53.68 1aqz s ASP 56 Cb -0.08 0.32 1.41 0.00 -0.34 0.00 0.00 42.92 44.23 1aqz s ASP 56 CO 0.27 -1.76 1.83 1.23 0.68 0.00 0.00 175.17 177.41 1aqz h GLY 57 N -0.31 0.00 -1.10 2.12 0.00 -1.88 -1.35 103.07 100.54 1aqz h GLY 57 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1aqz h GLY 57 CO 0.38 0.00 -0.00 0.70 0.00 0.00 0.00 176.54 177.62 1aqz n ASN 58 N -2.46 2.15 0.00 0.19 5.03 -1.26 -2.13 115.26 116.78 1aqz n ASN 58 Ca -0.01 -1.72 0.00 0.00 0.87 0.00 0.00 54.58 53.72 1aqz n ASN 58 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1aqz n ASN 58 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aqz n GLY 59 N 1.25 0.66 3.78 7.41 0.00 -0.51 -4.89 105.19 112.90 1aqz n GLY 59 Ca 0.17 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1aqz n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqz s LYS 60 N -1.26 3.91 -0.04 1.61 1.02 -1.25 -4.78 119.74 118.95 1aqz s LYS 60 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 1aqz s LYS 60 Cb 0.00 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1aqz s LYS 60 CO 0.00 0.48 1.09 -1.17 -0.92 0.00 0.00 175.35 174.83 1aqz s LEU 61 N -0.16 4.31 0.25 3.17 1.98 -1.26 0.05 118.68 127.02 1aqz s LEU 61 Ca 0.11 1.72 -0.30 0.00 -2.89 0.00 0.00 54.13 52.77 1aqz s LEU 61 Cb -0.11 -3.56 -0.10 0.00 0.66 0.00 0.00 46.19 43.07 1aqz s LEU 61 CO 0.00 -0.44 1.45 -0.63 -1.89 0.00 0.00 176.35 174.84 1aqz s ILE 62 N 1.66 2.63 0.08 6.68 -1.09 -0.23 -4.89 121.20 126.05 1aqz s ILE 62 Ca 0.53 0.53 -0.33 0.00 -2.23 0.00 0.00 60.65 59.14 1aqz s ILE 62 Cb -0.23 -3.34 -0.13 0.00 -1.58 0.00 0.00 42.46 37.19 1aqz s ILE 62 CO 0.23 0.08 1.72 1.17 -1.23 0.00 0.00 174.94 176.92 1aqz n LYS 63 N 2.42 2.29 -0.03 2.79 4.81 -1.26 -1.84 118.16 127.33 1aqz n LYS 63 Ca 0.07 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1aqz n LYS 63 Cb 0.40 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.80 1aqz n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aqz n GLY 64 N 3.88 1.31 3.83 3.14 0.00 -1.26 -5.04 105.19 111.05 1aqz n GLY 64 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1aqz n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aqz s ARG 65 N -0.55 4.04 -0.26 1.61 0.52 -0.77 -5.08 118.95 118.47 1aqz s ARG 65 Ca 0.00 0.55 -0.02 0.00 -0.52 0.00 0.00 55.73 55.74 1aqz s ARG 65 Cb 0.00 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.39 1aqz s ARG 65 CO 0.00 0.59 -0.04 0.99 0.02 0.00 0.00 175.30 176.86 1aqz s THR 66 N -1.25 3.02 0.46 0.02 2.01 -1.26 -4.87 115.64 113.78 1aqz s THR 66 Ca 0.31 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.07 1aqz s THR 66 Cb -0.17 -2.56 -0.08 0.00 0.01 0.00 0.00 72.50 69.69 1aqz s THR 66 CO 0.18 0.15 1.05 -2.84 -0.69 0.00 0.00 174.62 172.47 1aqz s PRO 67 N 1.34 3.87 0.14 4.92 0.02 -1.26 -4.87 135.00 139.16 1aqz s PRO 67 Ca -0.00 1.44 -0.30 0.00 0.02 0.00 0.00 61.00 62.16 1aqz s PRO 67 Cb -0.17 -2.23 -0.07 0.00 0.02 0.00 0.00 34.50 32.05 1aqz s PRO 67 CO -0.03 -0.38 1.14 0.42 -0.33 0.00 0.00 177.00 177.81 1aqz s ILE 68 N -1.86 3.91 -0.25 2.83 1.01 -1.26 -5.01 121.20 120.57 1aqz s ILE 68 Ca 0.65 1.54 -0.10 0.00 0.00 0.00 0.00 60.65 62.74 1aqz s ILE 68 Cb -0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1aqz s ILE 68 CO 0.23 0.22 0.16 -0.75 0.00 0.00 0.00 174.94 174.80 1aqz s LYS 69 N 0.10 4.03 0.02 2.79 2.20 -1.26 -4.97 119.74 122.65 1aqz s LYS 69 Ca 0.53 -0.29 0.18 0.00 -0.36 0.00 0.00 55.97 56.03 1aqz s LYS 69 Cb -0.30 -3.56 -0.17 0.00 -1.51 0.00 0.00 37.83 32.30 1aqz s LYS 69 CO 0.33 -0.00 0.69 1.19 -0.36 0.00 0.00 175.35 177.20 1aqz n PHE 70 N 4.49 0.70 -0.92 4.03 3.72 -1.26 -5.01 117.46 123.20 1aqz n PHE 70 Ca -0.15 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1aqz n PHE 70 Cb 0.52 -0.98 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 1aqz n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aqz n GLY 71 N 1.40 0.79 2.98 1.37 0.00 -1.26 -5.00 105.19 105.47 1aqz n GLY 71 Ca -0.11 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1aqz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqz s LYS 72 N -2.03 0.45 0.13 1.61 1.02 -1.26 -5.06 119.74 114.60 1aqz s LYS 72 Ca 0.00 -0.27 -0.20 0.00 0.02 0.00 0.00 55.97 55.52 1aqz s LYS 72 Cb 0.00 -0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 1aqz s LYS 72 CO 0.00 0.11 1.71 0.00 -0.92 0.00 0.00 175.35 176.25 1aqz h ALA 73 N 5.80 0.15 -0.07 5.17 0.00 -1.97 -0.45 119.26 127.89 1aqz h ALA 73 Ca -0.29 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1aqz h ALA 73 Cb 1.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1aqz h ALA 73 CO 0.49 -0.46 -0.15 -0.44 0.00 0.00 0.00 179.25 178.69 1aqz h ASP 74 N 0.03 0.10 0.33 0.00 3.32 -1.97 -0.99 116.42 117.22 1aqz h ASP 74 Ca 0.10 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.85 1aqz h ASP 74 Cb 0.14 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.68 1aqz h ASP 74 CO -0.19 0.26 -1.22 0.00 -1.72 0.00 0.00 179.24 176.38 1aqz n ASP 76 N -3.70 0.62 -4.77 0.00 8.00 -0.22 -4.90 116.55 111.57 1aqz n ASP 76 Ca -0.11 -0.15 -0.38 0.00 0.71 0.00 0.00 54.79 54.86 1aqz n ASP 76 Cb 0.98 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 42.50 1aqz n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqz s ARG 77 N -3.12 3.95 0.52 -1.24 1.70 -0.40 -4.95 118.95 115.41 1aqz s ARG 77 Ca 0.07 1.79 -0.22 0.00 -0.47 0.00 0.00 55.73 56.91 1aqz s ARG 77 Cb 0.15 -2.56 -0.06 0.00 -0.57 0.00 0.00 34.95 31.91 1aqz s ARG 77 CO 0.75 -0.40 1.24 -1.25 -1.08 0.00 0.00 175.30 174.56 1aqz s PRO 78 N -2.47 3.37 0.66 3.89 0.04 -1.26 -4.97 135.00 134.26 1aqz s PRO 78 Ca 0.60 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 63.43 1aqz s PRO 78 Cb -0.29 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 1aqz s PRO 78 CO 0.36 -0.92 1.09 -1.25 0.04 0.00 0.00 177.00 176.32 1aqz s PRO 79 N -2.92 2.88 -0.27 0.56 0.04 -1.26 -4.91 135.00 129.11 1aqz s PRO 79 Ca 0.70 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 1aqz s PRO 79 Cb -0.33 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1aqz s PRO 79 CO 0.38 -1.17 0.07 0.21 0.04 0.00 0.00 177.00 176.53 1aqz s LYS 80 N -4.30 0.77 -0.28 4.56 2.47 0.58 -2.06 119.74 121.48 1aqz s LYS 80 Ca 0.64 -0.88 -0.01 0.00 -1.56 0.00 0.00 55.97 54.16 1aqz s LYS 80 Cb -0.18 -2.06 0.09 0.00 -1.46 0.00 0.00 37.83 34.22 1aqz s LYS 80 CO 0.44 -0.86 0.06 -1.58 0.16 0.00 0.00 175.35 173.57 1aqz s HIS 81 N 1.67 1.75 0.93 4.03 5.65 -0.91 -0.43 115.29 127.99 1aqz s HIS 81 Ca 0.06 -1.62 -0.13 0.00 0.25 0.00 0.00 55.06 53.61 1aqz s HIS 81 Cb -0.17 -1.62 0.20 0.00 -1.18 0.00 0.00 32.58 29.81 1aqz s HIS 81 CO -0.19 -0.81 1.28 -1.12 -0.65 0.00 0.00 174.74 173.24 1aqz s SER 82 N 1.60 3.19 0.00 9.88 0.01 -1.26 -4.63 113.70 122.50 1aqz s SER 82 Ca 0.06 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1aqz s SER 82 Cb -0.17 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1aqz s SER 82 CO -0.19 -2.66 0.00 0.00 0.41 0.00 0.00 173.24 170.80 1aqz n GLN 83 N -3.63 0.00 -0.44 12.44 1.13 -1.26 -0.03 117.38 125.59 1aqz n GLN 83 Ca 0.16 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.29 1aqz n GLN 83 Cb 0.60 0.00 0.23 0.00 0.11 0.00 0.00 30.24 31.17 1aqz n GLN 83 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1aqz n ASN 84 N -0.30 3.34 -0.59 1.08 6.94 -1.26 -4.92 115.26 119.55 1aqz n ASN 84 Ca 0.00 -3.17 -0.08 0.00 -0.02 0.00 0.00 54.58 51.31 1aqz n ASN 84 Cb 0.00 -0.54 -0.03 0.00 -2.36 0.00 0.00 39.78 36.85 1aqz n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1aqz n GLY 85 N -0.80 0.97 0.24 4.83 0.00 0.95 -4.72 105.19 106.67 1aqz n GLY 85 Ca 0.22 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.62 1aqz n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aqz n MET 86 N -2.71 0.38 -1.48 1.61 2.00 -1.26 -4.86 117.12 110.79 1aqz n MET 86 Ca -0.08 -1.01 -0.40 0.00 0.00 0.00 0.00 57.70 56.20 1aqz n MET 86 Cb 0.26 -1.11 0.02 0.00 0.00 0.00 0.00 33.22 32.39 1aqz n MET 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1aqz n GLY 87 N 0.26 -1.28 0.32 3.03 0.00 -1.26 -4.85 105.19 101.40 1aqz n GLY 87 Ca 0.04 -0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.24 1aqz n GLY 87 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aqz h LYS 88 N 0.72 0.00 0.00 1.61 2.10 -2.01 -2.74 116.57 116.25 1aqz h LYS 88 Ca -0.43 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.21 1aqz h LYS 88 Cb 1.39 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.70 1aqz h LYS 88 CO 0.51 0.01 -0.24 -0.25 -2.00 0.00 0.00 179.45 177.48 1aqz n ASP 89 N -3.24 1.56 -4.76 7.07 8.00 -1.26 -5.07 116.55 118.85 1aqz n ASP 89 Ca -0.02 -2.80 -0.36 0.00 0.71 0.00 0.00 54.79 52.32 1aqz n ASP 89 Cb 0.13 -0.37 0.02 0.00 -0.02 0.00 0.00 41.12 40.89 1aqz n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1aqz s ASP 90 N -2.33 5.38 -0.20 -2.24 1.11 -1.04 -4.93 116.67 112.42 1aqz s ASP 90 Ca 0.23 2.33 -0.06 0.00 0.18 0.00 0.00 52.55 55.24 1aqz s ASP 90 Cb 0.21 -2.59 0.10 0.00 1.07 0.00 0.00 42.92 41.70 1aqz s ASP 90 CO 0.00 -1.46 0.42 -1.38 1.18 0.00 0.00 175.17 173.93 1aqz s HIS 91 N -1.63 -0.81 0.34 4.23 -3.43 0.43 -4.52 115.29 109.89 1aqz s HIS 91 Ca 0.76 1.46 -0.17 0.00 -0.80 0.00 0.00 55.06 56.31 1aqz s HIS 91 Cb -0.29 0.28 0.04 0.00 -1.43 0.00 0.00 32.58 31.18 1aqz s HIS 91 CO 0.32 -0.51 0.73 1.52 -2.00 0.00 0.00 174.74 174.80 1aqz s TYR 92 N 2.61 0.08 0.01 0.38 -0.85 -0.93 -0.31 117.35 118.33 1aqz s TYR 92 Ca -0.00 -0.64 -0.13 0.00 -0.52 0.00 0.00 57.07 55.77 1aqz s TYR 92 Cb -0.12 0.71 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 1aqz s TYR 92 CO -0.13 -1.41 0.39 -0.51 -1.52 0.00 0.00 175.55 172.37 1aqz s LEU 93 N -3.02 4.45 0.09 -3.49 1.43 -1.26 -0.15 118.68 116.73 1aqz s LEU 93 Ca 0.15 0.91 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 1aqz s LEU 93 Cb -0.05 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1aqz s LEU 93 CO 0.10 0.31 -0.13 -0.76 0.23 0.00 0.00 176.35 176.10 1aqz s LEU 94 N -1.21 2.90 -0.03 1.79 1.43 0.25 -0.62 118.68 123.20 1aqz s LEU 94 Ca 0.25 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1aqz s LEU 94 Cb -0.16 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1aqz s LEU 94 CO 0.13 0.20 -0.25 -1.83 0.23 0.00 0.00 176.35 174.83 1aqz s GLU 95 N -2.02 2.23 -0.00 1.70 -1.05 0.25 -2.43 118.70 117.37 1aqz s GLU 95 Ca 0.19 -0.91 0.01 0.00 -0.15 0.00 0.00 54.97 54.11 1aqz s GLU 95 Cb -0.11 -2.08 -0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1aqz s GLU 95 CO 0.11 0.52 -0.03 0.12 0.95 0.00 0.00 175.26 176.93 1aqz s PHE 96 N -0.52 0.30 0.48 4.83 5.36 -0.79 -2.28 117.98 125.37 1aqz s PHE 96 Ca 0.07 -0.06 -0.24 0.00 -0.96 0.00 0.00 56.93 55.75 1aqz s PHE 96 Cb -0.11 -0.20 -0.08 0.00 -0.34 0.00 0.00 43.02 42.30 1aqz s PHE 96 CO 0.00 -0.01 1.34 -2.30 -1.46 0.00 0.00 175.22 172.80 1aqz n PRO 97 N 3.03 1.93 -3.96 10.12 -0.02 -1.26 -0.83 135.00 144.02 1aqz n PRO 97 Ca -0.13 0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1aqz n PRO 97 Cb 0.59 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 1aqz n PRO 97 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1aqz s THR 98 N -1.24 0.09 0.15 3.45 -1.32 -0.64 -4.70 115.64 111.44 1aqz s THR 98 Ca 0.65 -0.74 0.05 0.00 -1.21 0.00 0.00 61.69 60.45 1aqz s THR 98 Cb -0.45 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 1aqz s THR 98 CO 0.55 -0.40 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.07 1aqz s PHE 99 N -1.19 1.38 0.47 9.09 0.08 -1.26 -4.41 117.98 122.14 1aqz s PHE 99 Ca -0.13 -0.67 0.13 0.00 0.12 0.00 0.00 56.93 56.37 1aqz s PHE 99 Cb -0.08 -0.69 1.09 0.00 -0.57 0.00 0.00 43.02 42.77 1aqz s PHE 99 CO -0.01 0.15 2.10 -1.35 -0.10 0.00 0.00 175.22 176.01 1aqz h PRO 100 N 2.89 0.19 0.00 0.24 0.11 -1.99 -1.63 132.00 131.82 1aqz h PRO 100 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1aqz h PRO 100 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1aqz h PRO 100 CO 0.60 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1aqz n ASP 101 N -4.49 0.00 0.00 -2.05 5.68 -1.26 -4.71 116.55 109.72 1aqz n ASP 101 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1aqz n ASP 101 Cb 0.10 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 1aqz n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aqz n GLY 102 N 1.06 1.13 3.73 6.12 0.00 -0.61 -5.01 105.19 111.60 1aqz n GLY 102 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1aqz n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aqz s HIS 103 N -3.36 2.11 -0.36 1.61 -3.43 -1.26 -4.86 115.29 105.75 1aqz s HIS 103 Ca 0.00 1.60 -0.27 0.00 -0.80 0.00 0.00 55.06 55.59 1aqz s HIS 103 Cb 0.00 -3.43 0.02 0.00 -1.43 0.00 0.00 32.58 27.73 1aqz s HIS 103 CO 0.00 -2.50 0.99 -0.51 -2.00 0.00 0.00 174.74 170.72 1aqz s ASP 104 N -2.11 6.77 0.27 7.38 1.01 -1.26 -4.68 116.67 124.04 1aqz s ASP 104 Ca 0.73 0.75 -0.31 0.00 0.71 0.00 0.00 52.55 54.44 1aqz s ASP 104 Cb -0.28 -2.50 -0.13 0.00 1.01 0.00 0.00 42.92 41.03 1aqz s ASP 104 CO 0.45 -0.88 1.44 0.00 0.21 0.00 0.00 175.17 176.39 1aqz n TYR 105 N 6.86 2.36 -2.36 4.23 9.36 -1.26 -4.88 117.16 131.47 1aqz n TYR 105 Ca 0.09 0.40 -0.36 0.00 3.32 0.00 0.00 57.90 61.35 1aqz n TYR 105 Cb 0.48 -2.49 -0.03 0.00 -0.63 0.00 0.00 39.34 36.67 1aqz n TYR 105 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1aqz s LYS 106 N -0.61 3.28 0.65 2.98 3.01 -1.26 -4.83 119.74 122.97 1aqz s LYS 106 Ca 0.66 -1.25 0.44 0.00 -1.01 0.00 0.00 55.97 54.80 1aqz s LYS 106 Cb -0.60 -5.34 2.35 0.00 -1.01 0.00 0.00 37.83 33.23 1aqz s LYS 106 CO 0.51 -2.83 2.34 0.27 0.51 0.00 0.00 175.35 176.15 1aqz h PHE 107 N 9.37 0.00 -0.28 3.18 -5.15 -1.89 -1.27 116.94 120.89 1aqz h PHE 107 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 1aqz h PHE 107 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 1aqz h PHE 107 CO 1.30 0.00 0.00 -0.25 -2.00 0.00 0.00 178.31 177.36 1aqz n ASP 108 N -3.07 3.31 -4.75 -0.68 8.00 -1.26 -0.96 116.55 117.14 1aqz n ASP 108 Ca -0.03 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.07 1aqz n ASP 108 Cb 0.09 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 1aqz n ASP 108 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1aqz s SER 109 N -1.62 6.72 -0.09 -2.24 1.04 -0.48 -4.44 113.70 112.58 1aqz s SER 109 Ca 0.35 2.64 -0.09 0.00 0.48 0.00 0.00 55.95 59.33 1aqz s SER 109 Cb 0.22 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.73 1aqz s SER 109 CO 0.31 -0.63 0.25 -1.59 0.98 0.00 0.00 173.24 172.56 1aqz s LYS 110 N -0.78 0.29 0.00 4.02 -2.85 -1.26 -2.66 119.74 116.50 1aqz s LYS 110 Ca 0.56 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.86 1aqz s LYS 110 Cb -0.40 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.51 1aqz s LYS 110 CO 0.46 -0.04 0.00 1.63 0.10 0.00 0.00 175.35 177.50 1aqz n LYS 111 N 2.92 0.00 -2.57 1.78 4.01 -1.26 -4.18 118.16 118.87 1aqz n LYS 111 Ca -0.13 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.25 1aqz n LYS 111 Cb 0.58 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.08 1aqz n LYS 111 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1aqz s PRO 112 N 0.00 4.35 0.16 1.97 0.04 -1.26 -5.16 135.00 135.10 1aqz s PRO 112 Ca 0.00 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 1aqz s PRO 112 Cb 0.00 -3.59 -0.07 0.00 0.04 0.00 0.00 34.50 30.88 1aqz s PRO 112 CO 0.00 -0.45 0.86 0.21 0.04 0.00 0.00 177.00 177.66 1aqz s LYS 113 N 2.43 4.67 0.46 4.56 2.20 -1.26 -4.89 119.74 127.92 1aqz s LYS 113 Ca 0.51 1.31 -0.25 0.00 -0.36 0.00 0.00 55.97 57.18 1aqz s LYS 113 Cb -0.20 -3.31 -0.08 0.00 -1.51 0.00 0.00 37.83 32.73 1aqz s LYS 113 CO 0.17 0.44 1.42 -2.00 -0.36 0.00 0.00 175.35 175.02 1aqz s GLU 114 N -0.74 3.63 0.01 4.03 2.12 -1.26 -4.92 118.70 121.57 1aqz s GLU 114 Ca 0.40 2.41 -0.30 0.00 0.36 0.00 0.00 54.97 57.84 1aqz s GLU 114 Cb -0.24 -2.62 -0.07 0.00 0.26 0.00 0.00 34.13 31.47 1aqz s GLU 114 CO 0.28 -0.86 1.57 1.21 -0.54 0.00 0.00 175.26 176.93 1aqz s ASN 115 N -0.54 6.70 0.00 -1.70 3.04 -1.26 -4.88 114.94 116.30 1aqz s ASN 115 Ca 0.62 2.30 0.29 0.00 0.04 0.00 0.00 52.86 56.11 1aqz s ASN 115 Cb -0.44 -2.55 1.25 0.00 -1.54 0.00 0.00 41.25 37.97 1aqz s ASN 115 CO 0.56 -0.84 1.88 -0.81 -3.04 0.00 0.00 177.10 174.84 1aqz n PRO 116 N 5.94 0.61 -0.05 0.43 -0.04 -1.26 -5.03 135.00 135.60 1aqz n PRO 116 Ca 0.15 -0.19 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1aqz n PRO 116 Cb 0.42 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1aqz n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aqz n GLY 117 N 1.29 -1.21 0.09 0.55 0.00 -1.26 -4.33 105.19 100.32 1aqz n GLY 117 Ca 0.14 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.19 1aqz n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aqz h PRO 118 N 0.00 0.00 -5.90 1.61 0.13 -1.91 -3.44 132.00 122.48 1aqz h PRO 118 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.51 1aqz h PRO 118 Cb 0.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.12 1aqz h PRO 118 CO 0.00 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 177.38 1aqz s ALA 119 N -3.27 3.85 -0.01 -0.56 0.00 -1.26 -0.38 121.76 120.13 1aqz s ALA 119 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1aqz s ALA 119 Cb 0.11 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 1aqz s ALA 119 CO 0.76 0.66 -0.09 1.03 0.00 0.00 0.00 175.76 178.12 1aqz s ARG 120 N -1.78 0.75 -0.19 0.00 1.81 -0.45 -1.62 118.95 117.47 1aqz s ARG 120 Ca 0.28 -0.30 -0.16 0.00 -1.72 0.00 0.00 55.73 53.82 1aqz s ARG 120 Cb -0.13 -0.72 -0.04 0.00 -0.45 0.00 0.00 34.95 33.61 1aqz s ARG 120 CO 0.16 0.16 0.42 0.54 -0.68 0.00 0.00 175.30 175.91 1aqz s VAL 121 N -0.08 5.19 -0.18 3.52 0.11 -0.01 -1.75 120.40 127.19 1aqz s VAL 121 Ca 0.01 0.77 -0.08 0.00 -2.93 0.00 0.00 61.98 59.76 1aqz s VAL 121 Cb -0.05 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1aqz s VAL 121 CO -0.00 0.25 0.07 -0.63 -3.33 0.00 0.00 175.10 171.46 1aqz s ILE 122 N 1.25 4.89 0.22 7.04 -1.09 -0.63 -1.89 121.20 131.00 1aqz s ILE 122 Ca 0.21 0.00 -0.14 0.00 -2.23 0.00 0.00 60.65 58.49 1aqz s ILE 122 Cb -0.15 -3.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1aqz s ILE 122 CO 0.08 0.46 0.47 -0.72 -1.23 0.00 0.00 174.94 174.00 1aqz s TYR 123 N 0.33 0.20 0.26 3.97 1.13 -1.02 -1.10 117.35 121.12 1aqz s TYR 123 Ca 0.04 -0.56 -0.04 0.00 -1.41 0.00 0.00 57.07 55.10 1aqz s TYR 123 Cb -0.12 0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 40.92 1aqz s TYR 123 CO -0.00 -0.94 0.51 0.95 -2.51 0.00 0.00 175.55 173.56 1aqz s THR 124 N -3.96 5.07 -0.12 -3.49 -4.23 -0.15 -0.58 115.64 108.18 1aqz s THR 124 Ca 0.17 -0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1aqz s THR 124 Cb -0.00 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1aqz s THR 124 CO 0.04 -0.27 -0.08 -0.47 -0.54 0.00 0.00 174.62 173.29 1aqz s TYR 125 N -2.01 2.91 -1.90 3.99 5.04 0.79 -1.36 117.35 124.81 1aqz s TYR 125 Ca 0.42 -0.34 0.21 0.00 -2.44 0.00 0.00 57.07 54.92 1aqz s TYR 125 Cb -0.11 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.36 1aqz s TYR 125 CO 0.29 -0.00 1.02 -0.35 -1.34 0.00 0.00 175.55 175.17 1aqz n PRO 126 N 3.16 1.40 0.10 4.97 -0.04 -1.26 -2.19 135.00 141.14 1aqz n PRO 126 Ca -0.18 -0.98 0.13 0.00 -0.04 0.00 0.00 63.50 62.42 1aqz n PRO 126 Cb 0.53 -1.41 0.45 0.00 -0.04 0.00 0.00 33.50 33.02 1aqz n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aqz n ASN 127 N 0.01 0.64 -2.12 3.54 4.13 -1.25 -4.93 115.26 115.29 1aqz n ASN 127 Ca 0.09 0.59 -0.14 0.00 1.68 0.00 0.00 54.58 56.79 1aqz n ASN 127 Cb 0.43 -0.75 0.03 0.00 -1.54 0.00 0.00 39.78 37.95 1aqz n ASN 127 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1aqz n LYS 128 N -2.13 -3.71 -2.27 3.52 5.02 -0.47 -4.99 118.16 113.13 1aqz n LYS 128 Ca 0.05 0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 56.47 1aqz n LYS 128 Cb 0.35 -4.67 -0.03 0.00 -0.02 0.00 0.00 35.03 30.66 1aqz n LYS 128 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1aqz s VAL 129 N -3.02 3.28 -0.12 -0.18 1.01 -1.26 -4.66 120.40 115.44 1aqz s VAL 129 Ca 0.25 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 1aqz s VAL 129 Cb -0.11 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1aqz s VAL 129 CO 0.31 0.18 0.99 0.12 0.00 0.00 0.00 175.10 176.70 1aqz s PHE 130 N -0.16 3.49 -0.23 5.22 5.36 -1.26 -0.98 117.98 129.43 1aqz s PHE 130 Ca 0.54 1.55 -0.02 0.00 -0.96 0.00 0.00 56.93 58.04 1aqz s PHE 130 Cb -0.35 -3.17 -0.19 0.00 -0.34 0.00 0.00 43.02 38.96 1aqz s PHE 130 CO 0.40 -0.24 -0.08 0.00 -1.46 0.00 0.00 175.22 173.84 1aqz n GLY 132 N 2.09 -2.64 3.34 0.00 0.00 -1.16 -4.90 105.19 101.92 1aqz n GLY 132 Ca -0.43 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1aqz n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aqz s ILE 133 N -2.19 2.33 0.22 -0.61 1.01 -1.26 -1.60 121.20 119.10 1aqz s ILE 133 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1aqz s ILE 133 Cb 0.00 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1aqz s ILE 133 CO 0.00 0.58 -0.04 0.68 0.00 0.00 0.00 174.94 176.16 1aqz s VAL 134 N -0.47 1.20 -0.11 2.92 -7.23 -0.72 -1.25 120.40 114.75 1aqz s VAL 134 Ca 0.06 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 1aqz s VAL 134 Cb -0.11 -2.24 0.04 0.00 0.56 0.00 0.00 36.38 34.63 1aqz s VAL 134 CO 0.01 -0.42 0.46 0.00 -0.31 0.00 0.00 175.10 174.84 1aqz s ALA 135 N -3.31 -1.15 0.60 1.32 0.00 -0.40 -1.34 121.76 117.47 1aqz s ALA 135 Ca 0.26 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 1aqz s ALA 135 Cb 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1aqz s ALA 135 CO 0.07 -0.26 1.25 0.72 0.00 0.00 0.00 175.76 177.55 1aqz n HIS 136 N 2.06 1.85 0.08 0.00 8.25 0.49 -0.58 115.22 127.37 1aqz n HIS 136 Ca -0.17 0.43 -0.12 0.00 -0.26 0.00 0.00 57.72 57.61 1aqz n HIS 136 Cb 0.57 -2.28 -0.12 0.00 1.12 0.00 0.00 29.99 29.28 1aqz n HIS 136 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1aqz h GLN 137 N 0.84 0.15 -3.28 -0.41 4.15 -0.92 -3.44 115.11 112.21 1aqz h GLN 137 Ca -0.50 -0.25 -0.41 0.00 0.77 0.00 0.00 58.65 58.26 1aqz h GLN 137 Cb 1.33 0.09 -0.40 0.00 0.21 0.00 0.00 27.48 28.72 1aqz h GLN 137 CO 0.54 1.11 -0.75 -0.98 -1.93 0.00 0.00 178.83 176.82 1aqz s ARG 138 N -2.71 0.05 4.09 1.69 1.70 -0.92 -1.57 118.95 121.28 1aqz s ARG 138 Ca -0.02 0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 1aqz s ARG 138 Cb 0.09 -1.00 0.00 0.00 -0.57 0.00 0.00 34.95 33.47 1aqz s ARG 138 CO 0.85 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 175.04 1aqz n GLY 139 N 5.27 1.04 0.92 3.88 0.00 -0.07 -1.94 105.19 114.29 1aqz n GLY 139 Ca -0.05 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.35 1aqz n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aqz n ASN 140 N -1.80 2.56 -2.96 1.61 4.13 -1.26 -4.55 115.26 112.99 1aqz n ASN 140 Ca 0.00 -2.26 -0.16 0.00 1.68 0.00 0.00 54.58 53.84 1aqz n ASN 140 Cb 0.00 -0.46 -0.05 0.00 -1.54 0.00 0.00 39.78 37.73 1aqz n ASN 140 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aqz n GLN 141 N 0.31 0.62 0.00 3.52 0.00 -0.82 -4.95 117.38 116.07 1aqz n GLN 141 Ca 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 57.00 54.84 1aqz n GLN 141 Cb 0.52 1.34 0.00 0.00 0.00 0.00 0.00 30.24 32.10 1aqz n GLN 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1aqz n GLY 142 N 0.14 -1.68 3.77 2.61 0.00 -1.26 -2.15 105.19 106.61 1aqz n GLY 142 Ca -0.02 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1aqz n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aqz s ASP 143 N -4.00 6.69 -0.06 1.61 1.01 -1.26 -4.61 116.67 116.04 1aqz s ASP 143 Ca 0.00 2.33 -0.25 0.00 0.71 0.00 0.00 52.55 55.34 1aqz s ASP 143 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1aqz s ASP 143 CO 0.00 -0.56 0.76 -0.76 0.21 0.00 0.00 175.17 174.82 1aqz s LEU 144 N -2.28 4.31 0.10 1.23 1.43 -1.26 -1.01 118.68 121.20 1aqz s LEU 144 Ca 0.54 1.27 0.10 0.00 -1.03 0.00 0.00 54.13 55.02 1aqz s LEU 144 Cb -0.31 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1aqz s LEU 144 CO 0.39 -0.16 -0.26 -0.13 0.23 0.00 0.00 176.35 176.41 1aqz s ARG 145 N 0.94 1.54 0.18 1.70 0.52 0.25 -4.86 118.95 119.22 1aqz s ARG 145 Ca 0.40 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 54.06 1aqz s ARG 145 Cb -0.18 -1.91 -0.08 0.00 0.52 0.00 0.00 34.95 33.30 1aqz s ARG 145 CO 0.19 0.47 1.30 -1.17 0.02 0.00 0.00 175.30 176.12 1aqz s LEU 146 N -1.73 4.41 0.73 2.53 2.96 -1.26 -1.28 118.68 125.04 1aqz s LEU 146 Ca 0.13 2.35 -0.10 0.00 -0.22 0.00 0.00 54.13 56.29 1aqz s LEU 146 Cb -0.10 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.03 1aqz s LEU 146 CO 0.04 -0.53 1.08 0.00 -1.32 0.00 0.00 176.35 175.63 1aqz s SER 148 N -4.46 5.51 0.00 0.00 1.04 -0.73 -4.89 113.70 110.17 1aqz s SER 148 Ca 0.59 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1aqz s SER 148 Cb -0.11 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1aqz s SER 148 CO 0.48 0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.82