#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zfs n SER 2 N 0.00 0.63 0.01 1.61 7.64 -1.26 -3.80 113.62 118.44 1zfs n SER 2 Ca 0.00 -1.51 -0.11 0.00 1.01 0.00 0.00 58.87 58.26 1zfs n SER 2 Cb 0.00 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 1zfs n SER 2 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1zfs h GLU 3 N 0.20 0.11 -0.38 1.43 5.08 -2.05 2.70 114.58 121.68 1zfs h GLU 3 Ca 0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1zfs h GLU 3 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1zfs h GLU 3 CO 0.00 0.07 -0.40 1.25 -1.00 0.00 0.00 179.01 178.93 1zfs h LEU 4 N 0.11 1.01 -0.61 1.33 5.85 -2.00 -1.67 115.31 119.32 1zfs h LEU 4 Ca 0.03 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1zfs h LEU 4 Cb -0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1zfs h LEU 4 CO -0.01 1.27 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.28 1zfs h GLU 5 N 0.76 1.08 0.00 1.25 4.81 -1.65 -1.46 114.58 119.37 1zfs h GLU 5 Ca 0.06 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1zfs h GLU 5 Cb 1.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1zfs h GLU 5 CO 0.10 1.06 -0.03 1.15 -0.73 0.00 0.00 179.01 180.55 1zfs h THR 6 N 0.98 0.13 -0.41 0.32 2.02 0.49 -2.60 112.91 113.85 1zfs h THR 6 Ca 0.17 -0.42 -0.15 0.00 0.77 0.00 0.00 66.41 66.78 1zfs h THR 6 Cb 0.58 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1zfs h THR 6 CO 0.03 0.03 -0.33 0.00 0.37 0.00 0.00 175.52 175.63 1zfs h ALA 7 N 1.97 0.64 0.22 6.16 0.00 -0.29 -1.90 119.26 126.05 1zfs h ALA 7 Ca -0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 54.91 54.14 1zfs h ALA 7 Cb 0.36 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1zfs h ALA 7 CO 0.00 0.68 -1.54 0.52 0.00 0.00 0.00 179.25 178.91 1zfs h MET 8 N 0.77 0.46 0.00 0.00 2.86 -1.42 -3.18 114.93 114.42 1zfs h MET 8 Ca 0.08 -0.78 -0.08 0.00 -2.06 0.00 0.00 59.70 56.85 1zfs h MET 8 Cb 0.91 0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1zfs h MET 8 CO 0.08 1.37 -0.39 0.93 1.06 0.00 0.00 176.91 179.96 1zfs h GLU 9 N 0.12 0.00 0.06 1.72 4.39 -1.54 -2.77 114.58 116.57 1zfs h GLU 9 Ca -0.27 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 1zfs h GLU 9 Cb 2.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1zfs h GLU 9 CO 0.24 0.39 -0.37 0.00 -1.16 0.00 0.00 179.01 178.11 1zfs h THR 10 N 0.00 1.67 0.00 1.13 1.03 -1.44 -2.54 112.91 112.75 1zfs h THR 10 Ca -0.00 -2.43 -0.07 0.00 -0.01 0.00 0.00 66.41 63.90 1zfs h THR 10 Cb 0.78 3.30 -0.01 0.00 -1.07 0.00 0.00 68.15 71.16 1zfs h THR 10 CO 0.05 0.65 -0.33 0.17 -0.01 0.00 0.00 175.52 176.05 1zfs h LEU 11 N -0.73 0.00 -0.37 0.00 8.10 -1.61 -2.39 115.31 118.31 1zfs h LEU 11 Ca -0.07 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.76 1zfs h LEU 11 Cb 1.28 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1zfs h LEU 11 CO 0.06 0.33 -0.41 0.40 -4.11 0.00 0.00 178.44 174.71 1zfs h ILE 12 N 0.00 1.27 -0.56 0.15 1.08 -1.57 -0.86 117.51 117.02 1zfs h ILE 12 Ca -0.00 -1.59 -0.11 0.00 -0.39 0.00 0.00 64.86 62.77 1zfs h ILE 12 Cb 0.67 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1zfs h ILE 12 CO 0.04 0.53 -0.09 0.78 -0.69 0.00 0.00 178.15 178.72 1zfs h ASN 13 N 0.75 1.05 0.87 1.72 -0.26 -1.15 -1.92 115.58 116.64 1zfs h ASN 13 Ca 0.05 -0.34 -0.14 0.00 -0.56 0.00 0.00 56.30 55.32 1zfs h ASN 13 Cb 1.01 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.97 1zfs h ASN 13 CO 0.10 1.15 -0.65 0.58 -1.06 0.00 0.00 177.43 177.55 1zfs h VAL 14 N 0.94 1.31 -0.16 2.81 2.07 -1.43 -0.78 116.25 121.01 1zfs h VAL 14 Ca 0.15 -2.33 -0.11 0.00 0.82 0.00 0.00 66.70 65.23 1zfs h VAL 14 Cb 0.66 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1zfs h VAL 14 CO 0.05 0.63 -0.37 -0.26 0.02 0.00 0.00 177.57 177.64 1zfs h PHE 15 N 0.00 0.39 0.00 1.57 0.04 -0.78 -1.74 116.94 116.42 1zfs h PHE 15 Ca -0.01 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1zfs h PHE 15 Cb 1.26 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1zfs h PHE 15 CO 0.00 0.67 -0.50 1.58 -0.60 0.00 0.00 178.31 179.46 1zfs n HIS 16 N -4.05 0.00 0.04 -0.55 -0.00 -0.75 -1.84 115.22 108.06 1zfs n HIS 16 Ca -0.01 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.97 1zfs n HIS 16 Cb 0.46 -0.25 -0.10 0.00 -0.12 0.00 0.00 29.99 29.98 1zfs n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1zfs h ALA 17 N 3.00 0.14 0.00 1.57 0.00 -0.23 -3.21 119.26 120.53 1zfs h ALA 17 Ca 0.00 -0.69 -0.36 0.00 0.00 0.00 0.00 54.91 53.86 1zfs h ALA 17 Cb 0.50 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1zfs h ALA 17 CO 0.00 0.68 -2.37 1.58 0.00 0.00 0.00 179.25 179.14 1zfs n HIS 18 N -3.87 0.00 -0.12 0.00 -0.00 -1.05 -3.99 115.22 106.20 1zfs n HIS 18 Ca -0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.63 1zfs n HIS 18 Cb 0.87 -0.94 0.33 0.00 -0.00 0.00 0.00 29.99 30.25 1zfs n HIS 18 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1zfs h SER 19 N 0.00 0.68 -0.33 0.26 0.87 -1.55 -0.29 113.55 113.20 1zfs h SER 19 Ca -0.54 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1zfs h SER 19 Cb 1.89 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 1zfs h SER 19 CO -0.07 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.34 1zfs n GLY 20 N -1.43 0.92 0.12 5.77 0.00 -1.21 -3.80 105.19 105.55 1zfs n GLY 20 Ca 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.58 1zfs n GLY 20 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1zfs h LYS 21 N 2.85 0.00 -0.01 1.61 3.64 -1.17 -3.30 116.57 120.20 1zfs h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zfs h LYS 21 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1zfs h LYS 21 CO 0.00 0.42 -0.59 0.39 -2.27 0.00 0.00 179.45 177.40 1zfs n GLU 22 N -3.08 0.63 0.00 1.90 1.02 -1.23 -4.95 120.64 114.94 1zfs n GLU 22 Ca -0.03 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1zfs n GLU 22 Cb 0.78 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zfs n GLY 23 N 1.44 3.15 2.44 0.62 0.00 -1.24 -4.91 105.19 106.69 1zfs n GLY 23 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1zfs n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zfs n ASP 24 N 0.08 7.29 0.11 1.61 -0.08 -1.26 -4.46 116.55 119.85 1zfs n ASP 24 Ca 0.00 -2.57 0.13 0.00 -1.51 0.00 0.00 54.79 50.84 1zfs n ASP 24 Cb 0.00 -1.49 0.39 0.00 2.34 0.00 0.00 41.12 42.36 1zfs n ASP 24 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1zfs h LYS 25 N 5.44 0.00 0.00 -0.67 3.64 -1.90 -3.13 116.57 119.94 1zfs h LYS 25 Ca 0.76 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.14 1zfs h LYS 25 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1zfs h LYS 25 CO 1.75 0.00 -0.24 2.48 -2.27 0.00 0.00 179.45 181.18 1zfs n TYR 26 N -2.32 0.77 -3.68 1.91 4.11 -1.26 -4.87 117.16 111.82 1zfs n TYR 26 Ca 0.05 0.23 -0.13 0.00 -0.00 0.00 0.00 57.90 58.05 1zfs n TYR 26 Cb 0.44 -0.82 -0.07 0.00 -0.00 0.00 0.00 39.34 38.88 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1zfs s LYS 27 N -3.12 0.88 0.68 -3.48 2.20 -1.18 -5.06 119.74 110.65 1zfs s LYS 27 Ca 0.09 -0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.29 1zfs s LYS 27 Cb 0.13 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.86 1zfs s LYS 27 CO 0.64 -0.29 1.03 -1.17 -0.36 0.00 0.00 175.35 175.21 1zfs s LEU 28 N -1.85 2.96 0.16 5.43 2.96 -0.73 -4.77 118.68 122.84 1zfs s LEU 28 Ca -0.07 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 1zfs s LEU 28 Cb -0.01 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1zfs s LEU 28 CO -0.01 -1.34 -0.03 -0.44 -1.32 0.00 0.00 176.35 173.21 1zfs s SER 29 N -4.38 1.45 0.25 3.68 0.01 -1.26 -1.98 113.70 111.46 1zfs s SER 29 Ca 0.57 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 1zfs s SER 29 Cb -0.11 0.07 0.28 0.00 0.21 0.00 0.00 66.02 66.47 1zfs s SER 29 CO 0.48 -0.49 1.93 0.50 0.41 0.00 0.00 173.24 176.07 1zfs h LYS 30 N 2.72 1.31 0.03 12.44 3.64 -1.93 -2.55 116.57 132.23 1zfs h LYS 30 Ca -0.37 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 58.72 1zfs h LYS 30 Cb 1.20 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1zfs h LYS 30 CO 0.63 0.87 -0.99 -0.22 -2.27 0.00 0.00 179.45 177.47 1zfs h LYS 31 N 1.35 0.13 -0.27 1.90 3.11 -1.97 -2.92 116.57 117.90 1zfs h LYS 31 Ca 0.38 -0.17 -0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1zfs h LYS 31 Cb -0.13 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 1zfs h LYS 31 CO -0.09 1.01 0.15 0.93 -2.81 0.00 0.00 179.45 178.64 1zfs h GLU 32 N 0.05 0.37 -0.07 1.90 5.08 -1.86 -2.20 114.58 117.85 1zfs h GLU 32 Ca -0.05 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1zfs h GLU 32 Cb 1.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1zfs h GLU 32 CO 0.14 0.32 -0.45 1.37 -1.00 0.00 0.00 179.01 179.40 1zfs h LEU 33 N 0.32 0.19 -1.27 1.33 8.10 -1.54 -2.80 115.31 119.63 1zfs h LEU 33 Ca 0.09 -0.08 -0.06 0.00 0.11 0.00 0.00 57.88 57.94 1zfs h LEU 33 Cb 0.06 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1zfs h LEU 33 CO -0.02 0.62 -0.17 0.50 -4.11 0.00 0.00 178.44 175.26 1zfs h LYS 34 N 0.14 0.28 -0.51 0.17 3.64 -1.26 -2.73 116.57 116.32 1zfs h LYS 34 Ca 0.01 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1zfs h LYS 34 Cb 0.86 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1zfs h LYS 34 CO 0.07 0.46 -0.18 0.22 -2.27 0.00 0.00 179.45 177.74 1zfs h ASP 35 N 0.27 1.04 -0.52 4.20 1.82 -1.13 -2.55 116.42 119.54 1zfs h ASP 35 Ca 0.05 -0.38 -0.12 0.00 -0.39 0.00 0.00 57.03 56.19 1zfs h ASP 35 Cb 0.46 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1zfs h ASP 35 CO 0.03 1.18 -0.16 -0.07 -1.61 0.00 0.00 179.24 178.61 1zfs h LEU 36 N 0.89 1.04 -0.09 2.28 3.38 -1.46 -1.94 115.31 119.40 1zfs h LEU 36 Ca 0.12 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 1zfs h LEU 36 Cb 0.76 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1zfs h LEU 36 CO 0.06 1.17 -0.49 -0.07 0.09 0.00 0.00 178.44 179.20 1zfs h LEU 37 N 0.89 0.59 -1.51 1.67 3.38 -1.50 -2.78 115.31 116.04 1zfs h LEU 37 Ca 0.13 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1zfs h LEU 37 Cb 0.74 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1zfs h LEU 37 CO 0.06 1.15 -0.08 0.06 0.09 0.00 0.00 178.44 179.72 1zfs h GLN 38 N 0.07 0.00 0.00 1.13 3.07 -1.50 0.64 115.11 118.52 1zfs h GLN 38 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 1zfs h GLN 38 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.70 1zfs h GLN 38 CO 0.10 0.08 -0.00 1.79 0.09 0.00 0.00 178.83 180.89 1zfs h THR 39 N 0.00 1.38 0.00 1.86 1.35 -1.29 -3.38 112.91 112.83 1zfs h THR 39 Ca -0.00 -2.04 -0.09 0.00 -0.55 0.00 0.00 66.41 63.74 1zfs h THR 39 Cb 0.53 2.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.54 1zfs h THR 39 CO 0.01 0.47 -1.41 -0.62 -0.25 0.00 0.00 175.52 173.72 1zfs n GLU 40 N -4.65 2.22 -0.63 4.72 -0.58 -1.06 -4.70 120.64 115.96 1zfs n GLU 40 Ca -0.08 -0.02 0.02 0.00 -0.42 0.00 0.00 57.16 56.66 1zfs n GLU 40 Cb 0.37 -1.17 0.24 0.00 -0.57 0.00 0.00 31.44 30.31 1zfs n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1zfs n LEU 41 N -2.11 4.21 -0.25 -4.62 4.32 0.29 -4.67 117.00 114.17 1zfs n LEU 41 Ca -0.08 -3.32 0.00 0.00 -0.02 0.00 0.00 56.01 52.59 1zfs n LEU 41 Cb 0.57 -0.60 0.22 0.00 -1.62 0.00 0.00 43.42 41.99 1zfs n LEU 41 CO 0.14 0.90 1.25 0.77 -1.22 0.00 0.00 177.39 179.23 1zfs h SER 42 N 1.53 0.92 -0.38 -1.43 4.64 -0.02 -1.30 113.55 117.51 1zfs h SER 42 Ca 0.12 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 1zfs h SER 42 Cb 1.63 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1zfs h SER 42 CO 0.35 0.67 -0.25 -1.28 -0.87 0.00 0.00 176.83 175.44 1zfs h SER 43 N 1.09 0.89 0.00 4.97 0.87 -1.85 -3.34 113.55 116.18 1zfs h SER 43 Ca 0.30 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1zfs h SER 43 Cb -0.12 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.59 1zfs h SER 43 CO -0.06 1.13 0.00 0.49 -0.53 0.00 0.00 176.83 177.85 1zfs n PHE 44 N -4.19 0.00 -2.62 2.24 3.01 -1.04 -4.52 117.46 110.33 1zfs n PHE 44 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 1zfs n PHE 44 Cb 0.46 -0.50 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 1zfs n PHE 44 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1zfs s LEU 45 N -4.00 3.64 -0.74 4.37 1.02 -0.52 -4.91 118.68 117.53 1zfs s LEU 45 Ca 0.00 -1.19 -0.25 0.00 0.02 0.00 0.00 54.13 52.71 1zfs s LEU 45 Cb 0.00 -2.54 -0.14 0.00 0.02 0.00 0.00 46.19 43.53 1zfs s LEU 45 CO 0.00 -1.55 2.41 -0.90 0.02 0.00 0.00 176.35 176.32 1zfs n ASP 46 N 8.69 1.65 -0.01 2.29 5.75 -1.25 -4.48 116.55 129.18 1zfs n ASP 46 Ca 0.20 -1.17 0.07 0.00 -0.01 0.00 0.00 54.79 53.89 1zfs n ASP 46 Cb 0.50 -1.55 -0.11 0.00 -1.03 0.00 0.00 41.12 38.93 1zfs n ASP 46 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1zfs n VAL 47 N 8.36 0.00 -0.07 2.12 3.14 -1.26 -4.38 118.33 126.24 1zfs n VAL 47 Ca 0.47 -0.31 -0.07 0.00 -2.96 0.00 0.00 64.34 61.48 1zfs n VAL 47 Cb 0.43 0.32 -0.03 0.00 -1.06 0.00 0.00 33.84 33.49 1zfs n VAL 47 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1zfs h GLN 48 N 0.00 0.00 -0.07 1.45 4.20 -1.87 -3.37 115.11 115.45 1zfs h GLN 48 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1zfs h GLN 48 Cb 0.62 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1zfs h GLN 48 CO 0.00 0.23 0.04 1.57 -0.67 0.00 0.00 178.83 180.00 1zfs h LYS 49 N -1.00 0.08 -3.95 1.46 -0.00 -1.95 -3.26 116.57 107.95 1zfs h LYS 49 Ca -0.05 -0.01 -0.77 0.00 -0.00 0.00 0.00 60.65 59.82 1zfs h LYS 49 Cb 0.51 -0.02 -0.23 0.00 -0.00 0.00 0.00 32.23 32.49 1zfs h LYS 49 CO -0.03 0.06 0.95 -0.25 -0.00 0.00 0.00 179.45 180.17 1zfs n ASP 50 N -5.05 5.46 0.33 7.07 8.00 -1.26 -4.77 116.55 126.33 1zfs n ASP 50 Ca -0.06 -3.05 0.19 0.00 0.71 0.00 0.00 54.79 52.58 1zfs n ASP 50 Cb 0.03 -1.45 1.01 0.00 -0.02 0.00 0.00 41.12 40.69 1zfs n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zfs h ALA 51 N 6.65 1.15 0.00 2.24 0.00 -1.72 1.58 119.26 129.16 1zfs h ALA 51 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1zfs h ALA 51 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1zfs h ALA 51 CO 1.18 -0.15 -0.11 -0.44 0.00 0.00 0.00 179.25 179.73 1zfs h ASP 52 N 0.00 0.00 -0.05 0.00 3.32 -1.90 -2.94 116.42 114.84 1zfs h ASP 52 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1zfs h ASP 52 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1zfs h ASP 52 CO 0.00 0.11 -0.28 0.00 -1.72 0.00 0.00 179.24 177.35 1zfs h ALA 53 N 1.89 1.05 0.00 3.45 0.00 0.20 -2.40 119.26 123.44 1zfs h ALA 53 Ca -0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1zfs h ALA 53 Cb 0.83 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1zfs h ALA 53 CO 0.01 0.58 -0.83 -0.24 0.00 0.00 0.00 179.25 178.78 1zfs h VAL 54 N 0.44 1.50 -0.66 0.00 3.04 -1.52 -2.26 116.25 116.79 1zfs h VAL 54 Ca 0.06 -2.92 -0.09 0.00 -1.01 0.00 0.00 66.70 62.75 1zfs h VAL 54 Cb 0.72 2.61 -0.03 0.00 -2.01 0.00 0.00 31.29 32.58 1zfs h VAL 54 CO 0.05 0.81 0.08 -0.78 -1.01 0.00 0.00 177.57 176.72 1zfs h ASP 55 N 0.00 1.07 -0.38 3.17 1.82 -1.38 -2.36 116.42 118.36 1zfs h ASP 55 Ca -0.01 -0.27 -0.16 0.00 -0.39 0.00 0.00 57.03 56.20 1zfs h ASP 55 Cb 1.55 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.27 1zfs h ASP 55 CO 0.11 1.07 -0.40 0.11 -1.61 0.00 0.00 179.24 178.52 1zfs h LYS 56 N 1.03 0.94 -0.71 0.28 1.57 -1.43 -2.04 116.57 116.21 1zfs h LYS 56 Ca 0.20 -0.51 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1zfs h LYS 56 Cb 0.48 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1zfs h LYS 56 CO 0.02 1.16 0.17 0.97 -0.57 0.00 0.00 179.45 181.20 1zfs h ILE 57 N 0.76 1.26 0.00 1.86 6.09 -1.20 -2.93 117.51 123.36 1zfs h ILE 57 Ca 0.06 -0.99 -0.13 0.00 -1.37 0.00 0.00 64.86 62.43 1zfs h ILE 57 Cb 1.00 0.53 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 1zfs h ILE 57 CO 0.10 0.38 -0.82 0.00 -3.07 0.00 0.00 178.15 174.74 1zfs h MET 58 N 1.08 0.00 -0.93 2.19 -0.00 -1.45 -3.28 114.93 112.54 1zfs h MET 58 Ca 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.93 1zfs h MET 58 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.94 1zfs h MET 58 CO 0.00 0.48 0.62 -0.22 -0.00 0.00 0.00 176.91 177.79 1zfs h LYS 59 N 0.00 1.23 -0.55 -0.10 3.64 -1.19 0.78 116.57 120.37 1zfs h LYS 59 Ca -0.05 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1zfs h LYS 59 Cb 1.48 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1zfs h LYS 59 CO 0.07 0.82 0.36 1.49 -2.27 0.00 0.00 179.45 179.91 1zfs h GLU 60 N 1.27 0.73 0.00 1.90 4.81 -1.59 -2.90 114.58 118.79 1zfs h GLU 60 Ca 0.34 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1zfs h GLU 60 Cb -0.14 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.08 1zfs h GLU 60 CO -0.07 0.48 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.62 1zfs h LEU 61 N 0.75 0.00 -4.00 1.64 4.07 -0.93 -3.35 115.31 113.48 1zfs h LEU 61 Ca 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.12 1zfs h LEU 61 Cb -0.08 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1zfs h LEU 61 CO -0.04 0.00 0.04 0.47 -1.08 0.00 0.00 178.44 177.83 1zfs n ASP 62 N -2.03 2.43 0.28 -0.43 8.00 0.25 -4.23 116.55 120.81 1zfs n ASP 62 Ca -0.00 -1.79 0.17 0.00 0.71 0.00 0.00 54.79 53.88 1zfs n ASP 62 Cb 0.00 -0.58 0.88 0.00 -0.02 0.00 0.00 41.12 41.40 1zfs n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1zfs h GLU 63 N 3.55 0.00 -0.00 -1.24 4.39 -1.66 2.46 114.58 122.08 1zfs h GLU 63 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1zfs h GLU 63 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1zfs h GLU 63 CO 0.17 0.00 -0.00 0.09 -1.16 0.00 0.00 179.01 178.11 1zfs n ASN 64 N -2.72 0.00 -2.10 1.42 3.02 -1.26 -4.88 115.26 108.75 1zfs n ASN 64 Ca -0.02 -0.52 -0.17 0.00 -0.03 0.00 0.00 54.58 53.84 1zfs n ASN 64 Cb 0.16 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zfs n GLY 65 N 1.16 -0.26 0.48 7.41 0.00 0.83 -4.88 105.19 109.92 1zfs n GLY 65 Ca 0.19 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1zfs n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zfs n ASP 66 N -1.29 1.50 0.00 1.61 5.75 -1.25 -4.88 116.55 117.98 1zfs n ASP 66 Ca -0.14 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1zfs n ASP 66 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1zfs n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1zfs n GLY 67 N 1.18 0.00 3.12 6.12 0.00 -1.26 -4.85 105.19 109.50 1zfs n GLY 67 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1zfs n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zfs s GLU 68 N -1.02 1.23 0.03 1.61 2.02 -1.26 -3.23 118.70 118.08 1zfs s GLU 68 Ca 0.00 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1zfs s GLU 68 Cb 0.00 -1.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.01 1zfs s GLU 68 CO 0.00 0.31 0.08 0.08 0.02 0.00 0.00 175.26 175.75 1zfs s VAL 69 N -0.31 4.62 -2.02 2.63 1.01 -0.84 -4.70 120.40 120.79 1zfs s VAL 69 Ca 0.05 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1zfs s VAL 69 Cb -0.06 -3.16 0.20 0.00 0.00 0.00 0.00 36.38 33.36 1zfs s VAL 69 CO -0.00 0.25 1.24 0.47 0.00 0.00 0.00 175.10 177.06 1zfs n ASP 70 N 0.88 0.34 0.00 3.32 8.00 -1.26 -1.77 116.55 126.06 1zfs n ASP 70 Ca -0.11 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1zfs n ASP 70 Cb 0.52 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1zfs n ASP 70 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1zfs n PHE 71 N -0.39 0.00 -0.18 1.24 -0.00 -1.26 -4.56 117.46 112.30 1zfs n PHE 71 Ca 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.52 1zfs n PHE 71 Cb 0.07 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 39.83 1zfs n PHE 71 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1zfs h GLN 72 N 0.00 0.91 -1.00 -4.13 4.20 -2.01 -1.53 115.11 111.55 1zfs h GLN 72 Ca 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1zfs h GLN 72 Cb 0.00 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.52 1zfs h GLN 72 CO 0.00 0.61 0.66 0.93 -0.67 0.00 0.00 178.83 180.36 1zfs h GLU 73 N 0.94 1.32 -0.44 1.46 5.08 -1.96 -2.85 114.58 118.13 1zfs h GLU 73 Ca 0.26 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1zfs h GLU 73 Cb -0.10 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.84 1zfs h GLU 73 CO -0.06 0.87 -0.30 0.35 -1.00 0.00 0.00 179.01 178.88 1zfs h PHE 74 N 1.36 1.14 -0.99 4.33 3.04 -1.66 -2.82 116.94 121.33 1zfs h PHE 74 Ca 0.37 -0.31 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1zfs h PHE 74 Cb -0.16 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.05 1zfs h PHE 74 CO 0.00 1.14 0.66 -0.24 -2.02 0.00 0.00 178.31 177.85 1zfs h VAL 75 N 0.81 1.26 -0.36 1.41 3.04 -1.22 -2.37 116.25 118.82 1zfs h VAL 75 Ca 0.09 -0.47 -0.16 0.00 -1.01 0.00 0.00 66.70 65.15 1zfs h VAL 75 Cb 0.89 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1zfs h VAL 75 CO 0.08 0.25 -0.42 0.58 -1.01 0.00 0.00 177.57 177.05 1zfs h VAL 76 N 1.35 1.27 0.69 1.51 2.07 -1.55 -1.95 116.25 119.65 1zfs h VAL 76 Ca 0.36 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1zfs h VAL 76 Cb -0.16 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1zfs h VAL 76 CO -0.08 0.53 -0.33 0.25 0.02 0.00 0.00 177.57 177.96 1zfs h LEU 77 N 0.73 -0.79 -0.01 2.57 5.85 -1.17 -2.78 115.31 119.72 1zfs h LEU 77 Ca 0.05 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1zfs h LEU 77 Cb 1.01 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1zfs h LEU 77 CO 0.10 -0.56 -0.05 -0.37 -0.34 0.00 0.00 178.44 177.22 1zfs h VAL 78 N -0.93 0.08 -0.17 1.05 -1.51 -1.59 -3.13 116.25 110.05 1zfs h VAL 78 Ca -0.09 -1.11 -0.04 0.00 -1.23 0.00 0.00 66.70 64.23 1zfs h VAL 78 Cb 0.71 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 1zfs h VAL 78 CO 0.15 0.05 -0.04 0.00 -1.23 0.00 0.00 177.57 176.49 1zfs h ALA 79 N 1.95 0.24 -0.38 5.19 0.00 -1.30 -2.63 119.26 122.34 1zfs h ALA 79 Ca -0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1zfs h ALA 79 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1zfs h ALA 79 CO 0.01 0.01 -0.40 0.00 0.00 0.00 0.00 179.25 178.86 1zfs h ALA 80 N 0.72 0.56 -0.00 0.00 0.00 -1.57 -2.84 119.26 116.13 1zfs h ALA 80 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1zfs h ALA 80 Cb 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1zfs h ALA 80 CO 0.02 0.68 -0.00 1.25 0.00 0.00 0.00 179.25 181.19 1zfs h LEU 81 N 0.76 -0.00 -0.91 0.00 5.85 -1.55 -2.44 115.31 117.02 1zfs h LEU 81 Ca 0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1zfs h LEU 81 Cb 1.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1zfs h LEU 81 CO 0.10 -0.00 0.51 0.74 -0.34 0.00 0.00 178.44 179.44 1zfs h THR 82 N -0.00 1.26 -0.71 1.05 2.02 -1.51 -2.61 112.91 112.40 1zfs h THR 82 Ca 0.00 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.56 1zfs h THR 82 Cb 0.00 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.40 1zfs h THR 82 CO -0.00 0.29 0.47 0.58 0.37 0.00 0.00 175.52 177.23 1zfs h VAL 83 N 1.27 1.18 -0.94 3.16 2.07 -1.28 -2.12 116.25 119.58 1zfs h VAL 83 Ca 0.32 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1zfs h VAL 83 Cb 0.01 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 1zfs h VAL 83 CO -0.05 0.18 0.63 0.00 0.02 0.00 0.00 177.57 178.34 1zfs h ALA 84 N 1.26 1.33 -1.01 1.67 0.00 -1.07 -2.35 119.26 119.10 1zfs h ALA 84 Ca 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1zfs h ALA 84 Cb -0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.25 1zfs h ALA 84 CO -0.06 0.62 0.67 0.00 0.00 0.00 0.00 179.25 180.48 1zfs h ASN 86 N 1.36 0.96 1.65 0.00 -0.73 -1.23 0.15 115.58 117.74 1zfs h ASN 86 Ca 0.37 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.52 1zfs h ASN 86 Cb -0.16 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.21 1zfs h ASN 86 CO -0.08 0.66 -0.06 -1.13 -0.37 0.00 0.00 177.43 176.45 1zfs h ASN 87 N 1.11 0.00 -0.78 1.15 -0.73 -1.26 -3.24 115.58 111.82 1zfs h ASN 87 Ca 0.35 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.53 1zfs h ASN 87 Cb 0.02 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.57 1zfs h ASN 87 CO -0.11 0.06 0.52 0.15 -0.37 0.00 0.00 177.43 177.68 1zfs h PHE 88 N 0.00 0.99 0.00 0.67 3.57 0.39 -1.41 116.94 121.15 1zfs h PHE 88 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1zfs h PHE 88 Cb 0.90 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1zfs h PHE 88 CO 0.00 0.62 -0.10 1.19 -2.23 0.00 0.00 178.31 177.79 1zfs n PHE 89 N -4.54 0.85 0.24 0.41 3.72 -1.19 -3.37 117.46 113.57 1zfs n PHE 89 Ca 0.08 0.25 0.13 0.00 -0.05 0.00 0.00 57.45 57.85 1zfs n PHE 89 Cb 0.02 -0.88 0.45 0.00 -0.94 0.00 0.00 39.48 38.12 1zfs n PHE 89 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1zfs h TRP 90 N 0.00 0.00 -0.73 1.38 7.01 -1.28 -3.12 115.95 119.20 1zfs h TRP 90 Ca 0.00 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1zfs h TRP 90 Cb 0.73 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 1zfs h TRP 90 CO 0.00 0.11 0.48 1.05 -2.79 0.00 0.00 178.44 177.29 1zfs h GLU 91 N 0.00 0.97 -1.01 2.65 4.11 -1.53 -1.30 114.58 118.47 1zfs h GLU 91 Ca -0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1zfs h GLU 91 Cb 0.76 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1zfs h GLU 91 CO 0.01 0.64 0.67 -0.97 0.07 0.00 0.00 179.01 179.44 1zfs h ASN 92 N 0.99 1.16 0.00 3.06 -0.73 -1.78 -3.53 115.58 114.75 1zfs h ASN 92 Ca 0.27 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.41 1zfs h ASN 92 Cb -0.11 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.20 1zfs h ASN 92 CO -0.06 0.84 0.00 -0.24 -0.37 0.00 0.00 177.43 177.60