#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 4.51 -0.04 1.61 3.41 -1.26 -4.62 113.62 117.24 1zfs n SER 2 Ca 0.00 -3.07 -0.10 0.00 -0.26 0.00 0.00 58.87 55.43 1zfs n SER 2 Cb 0.00 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.29 1zfs n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1zfs h GLU 3 N 2.55 0.24 -0.15 4.33 5.08 -2.05 2.32 114.58 126.90 1zfs h GLU 3 Ca 0.05 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 1zfs h GLU 3 Cb 1.76 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.96 1zfs h GLU 3 CO 0.39 0.17 -0.73 1.25 -1.00 0.00 0.00 179.01 179.09 1zfs h LEU 4 N 0.25 0.83 -0.73 1.33 6.46 -2.01 -2.51 115.31 118.93 1zfs h LEU 4 Ca 0.07 -0.53 -0.07 0.00 -0.12 0.00 0.00 57.88 57.23 1zfs h LEU 4 Cb -0.02 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 1zfs h LEU 4 CO -0.01 1.31 0.21 -0.08 -0.62 0.00 0.00 178.44 179.24 1zfs h GLU 5 N 0.49 1.16 0.00 1.25 4.81 -1.70 -0.57 114.58 120.02 1zfs h GLU 5 Ca -0.04 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1zfs h GLU 5 Cb 1.34 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1zfs h GLU 5 CO 0.15 1.00 -0.06 1.15 -0.73 0.00 0.00 179.01 180.51 1zfs h THR 6 N 1.10 0.34 -0.61 0.32 2.02 0.40 -2.21 112.91 114.28 1zfs h THR 6 Ca 0.23 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1zfs h THR 6 Cb 0.34 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1zfs h THR 6 CO -0.00 0.06 -0.01 0.00 0.37 0.00 0.00 175.52 175.93 1zfs h ALA 7 N 1.94 0.82 0.07 6.16 0.00 -0.64 -2.27 119.26 125.33 1zfs h ALA 7 Ca -0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 1zfs h ALA 7 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1zfs h ALA 7 CO 0.01 0.68 -1.11 0.52 0.00 0.00 0.00 179.25 179.35 1zfs h MET 8 N 0.98 0.16 -0.13 0.00 2.86 -1.36 -3.16 114.93 114.29 1zfs h MET 8 Ca 0.17 -0.26 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1zfs h MET 8 Cb 0.58 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1zfs h MET 8 CO 0.03 1.11 -0.52 1.05 1.06 0.00 0.00 176.91 179.64 1zfs h GLU 9 N 0.05 0.36 0.04 1.72 4.11 -1.45 -2.52 114.58 116.89 1zfs h GLU 9 Ca -0.08 -0.21 -0.17 0.00 0.07 0.00 0.00 59.36 58.97 1zfs h GLU 9 Cb 1.84 0.02 0.02 0.00 0.50 0.00 0.00 28.75 31.12 1zfs h GLU 9 CO 0.17 0.79 -0.70 0.00 0.07 0.00 0.00 179.01 179.34 1zfs h THR 10 N 0.28 1.43 0.00 -1.06 1.03 -1.49 -2.41 112.91 110.69 1zfs h THR 10 Ca 0.01 -2.21 -0.11 0.00 -0.01 0.00 0.00 66.41 64.09 1zfs h THR 10 Cb 1.01 2.73 -0.02 0.00 -1.07 0.00 0.00 68.15 70.81 1zfs h THR 10 CO 0.09 0.64 -0.52 0.17 -0.01 0.00 0.00 175.52 175.89 1zfs h LEU 11 N -0.12 0.00 -0.36 0.00 8.10 -1.61 -2.37 115.31 118.95 1zfs h LEU 11 Ca -0.10 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.71 1zfs h LEU 11 Cb 1.44 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.66 1zfs h LEU 11 CO 0.14 0.52 -0.63 0.40 -4.11 0.00 0.00 178.44 174.75 1zfs h ILE 12 N 0.00 1.31 -0.37 0.15 2.04 -1.51 -1.04 117.51 118.08 1zfs h ILE 12 Ca -0.01 -1.87 -0.16 0.00 1.00 0.00 0.00 64.86 63.82 1zfs h ILE 12 Cb 1.06 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1zfs h ILE 12 CO 0.07 0.59 -0.41 0.78 0.00 0.00 0.00 178.15 179.17 1zfs h ASN 13 N 0.50 1.00 0.71 1.72 2.35 -1.32 -2.26 115.58 118.29 1zfs h ASN 13 Ca -0.01 -0.47 -0.13 0.00 -0.55 0.00 0.00 56.30 55.14 1zfs h ASN 13 Cb 1.21 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 1zfs h ASN 13 CO 0.13 1.28 -0.62 0.58 -1.65 0.00 0.00 177.43 177.14 1zfs h VAL 14 N 0.76 1.38 -0.79 2.81 2.07 -1.45 -0.97 116.25 120.06 1zfs h VAL 14 Ca 0.05 -2.18 -0.05 0.00 0.82 0.00 0.00 66.70 65.35 1zfs h VAL 14 Cb 1.01 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1zfs h VAL 14 CO 0.10 0.61 0.29 0.15 0.02 0.00 0.00 177.57 178.74 1zfs h PHE 15 N 0.00 1.22 0.00 1.57 3.57 -0.93 -0.63 116.94 121.74 1zfs h PHE 15 Ca -0.01 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1zfs h PHE 15 Cb 1.14 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1zfs h PHE 15 CO 0.00 0.93 -0.08 1.58 -2.23 0.00 0.00 178.31 178.51 1zfs n HIS 16 N -4.27 0.54 0.06 0.41 -0.00 -0.87 -0.68 115.22 110.41 1zfs n HIS 16 Ca 0.07 0.16 -0.18 0.00 0.46 0.00 0.00 57.72 58.23 1zfs n HIS 16 Cb 0.20 -0.73 -0.08 0.00 -0.12 0.00 0.00 29.99 29.25 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 2.71 0.21 -0.00 1.57 0.00 0.26 -3.36 119.26 120.64 1zfs h ALA 17 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1zfs h ALA 17 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1zfs h ALA 17 CO 0.00 0.75 0.00 0.72 0.00 0.00 0.00 179.25 180.72 1zfs n HIS 18 N -3.79 0.00 0.00 0.00 8.25 -0.96 -4.49 115.22 114.23 1zfs n HIS 18 Ca -0.10 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1zfs n HIS 18 Cb 0.88 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1zfs n HIS 18 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1zfs n SER 19 N -0.27 0.00 0.00 0.41 2.88 0.15 -4.49 113.62 112.30 1zfs n SER 19 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1zfs n SER 19 Cb 0.14 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1zfs n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1zfs n GLY 20 N -1.28 1.16 0.28 0.46 0.00 -1.26 -4.45 105.19 100.10 1zfs n GLY 20 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1zfs n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1zfs h LYS 21 N 0.00 0.00 -0.02 1.61 2.10 -1.79 1.64 116.57 120.11 1zfs h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1zfs h LYS 21 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1zfs h LYS 21 CO 0.00 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 176.60 1zfs n GLU 22 N -2.72 1.70 0.00 0.07 0.28 -1.26 -4.94 120.64 113.77 1zfs n GLU 22 Ca -0.02 -1.02 0.00 0.00 -0.16 0.00 0.00 57.16 55.96 1zfs n GLU 22 Cb 0.17 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.56 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1zfs n GLY 23 N 1.18 3.28 3.98 -1.84 0.00 0.56 -4.99 105.19 107.36 1zfs n GLY 23 Ca 0.19 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 -4.07 0.00 1.61 -0.08 -1.26 -4.29 116.55 108.46 1zfs n ASP 24 Ca 0.00 -0.83 0.14 0.00 -1.51 0.00 0.00 54.79 52.59 1zfs n ASP 24 Cb 0.00 -3.29 0.62 0.00 2.34 0.00 0.00 41.12 40.79 1zfs n ASP 24 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1zfs n LYS 25 N -4.43 0.00 0.00 -0.67 3.00 -1.18 -2.84 118.16 112.05 1zfs n LYS 25 Ca 0.05 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.50 1zfs n LYS 25 Cb 0.51 -1.50 0.56 0.00 0.00 0.00 0.00 35.03 34.60 1zfs n LYS 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1zfs n TYR 26 N -1.50 0.01 -3.54 5.64 4.01 -1.26 -4.86 117.16 115.66 1zfs n TYR 26 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 1zfs n TYR 26 Cb 0.34 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 38.87 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1zfs s LYS 27 N -3.00 1.13 0.69 -0.72 2.20 -1.13 -5.13 119.74 113.78 1zfs s LYS 27 Ca 0.13 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 1zfs s LYS 27 Cb 0.19 0.51 0.01 0.00 -1.51 0.00 0.00 37.83 37.03 1zfs s LYS 27 CO 0.56 -0.45 1.07 -1.17 -0.36 0.00 0.00 175.35 175.00 1zfs s LEU 28 N -2.50 2.98 0.17 5.43 2.96 -0.78 -4.79 118.68 122.15 1zfs s LEU 28 Ca -0.00 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.21 1zfs s LEU 28 Cb 0.00 -4.16 -0.04 0.00 0.50 0.00 0.00 46.19 42.49 1zfs s LEU 28 CO -0.09 -1.31 0.03 -0.55 -1.32 0.00 0.00 176.35 173.12 1zfs s SER 29 N -4.17 0.85 0.26 3.68 0.15 -1.26 -2.28 113.70 110.92 1zfs s SER 29 Ca 0.58 -1.21 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 1zfs s SER 29 Cb -0.12 0.19 0.29 0.00 -1.71 0.00 0.00 66.02 64.68 1zfs s SER 29 CO 0.53 -0.65 1.94 0.50 1.20 0.00 0.00 173.24 176.76 1zfs h LYS 30 N 2.73 1.29 0.01 5.44 3.64 -1.93 -2.54 116.57 125.19 1zfs h LYS 30 Ca -0.36 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 58.75 1zfs h LYS 30 Cb 1.21 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1zfs h LYS 30 CO 0.61 0.85 -0.91 1.57 -2.27 0.00 0.00 179.45 179.30 1zfs h LYS 31 N 1.32 0.03 -0.13 1.90 5.09 -1.97 -2.74 116.57 120.08 1zfs h LYS 31 Ca 0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 60.65 61.05 1zfs h LYS 31 Cb -0.15 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.19 1zfs h LYS 31 CO -0.08 0.92 0.06 0.93 -2.09 0.00 0.00 179.45 179.19 1zfs h GLU 32 N 0.01 0.20 -0.09 0.07 5.08 -1.73 -2.41 114.58 115.71 1zfs h GLU 32 Ca -0.02 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1zfs h GLU 32 Cb 1.60 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1zfs h GLU 32 CO 0.12 0.27 -0.64 1.37 -1.00 0.00 0.00 179.01 179.13 1zfs h LEU 33 N 0.08 0.40 -1.29 1.33 8.10 -1.55 -3.01 115.31 119.37 1zfs h LEU 33 Ca 0.05 -0.24 0.01 0.00 0.11 0.00 0.00 57.88 57.80 1zfs h LEU 33 Cb 0.14 -0.12 -0.04 0.00 -0.44 0.00 0.00 40.66 40.21 1zfs h LEU 33 CO -0.00 0.94 0.47 0.50 -4.11 0.00 0.00 178.44 176.23 1zfs h LYS 34 N 0.25 0.94 -0.73 0.17 3.64 -1.35 -1.79 116.57 117.70 1zfs h LYS 34 Ca -0.01 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1zfs h LYS 34 Cb 1.18 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1zfs h LYS 34 CO 0.11 0.63 0.19 0.22 -2.27 0.00 0.00 179.45 178.33 1zfs h ASP 35 N 0.97 1.09 -0.68 4.20 1.82 -1.30 -2.56 116.42 119.96 1zfs h ASP 35 Ca 0.26 -0.23 -0.08 0.00 -0.39 0.00 0.00 57.03 56.59 1zfs h ASP 35 Cb -0.10 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.59 1zfs h ASP 35 CO -0.06 1.03 0.11 -0.07 -1.61 0.00 0.00 179.24 178.65 1zfs h LEU 36 N 1.10 1.08 -0.05 2.28 3.38 -1.29 -1.23 115.31 120.58 1zfs h LEU 36 Ca 0.23 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1zfs h LEU 36 Cb 0.36 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1zfs h LEU 36 CO -0.00 1.07 -0.56 -0.07 0.09 0.00 0.00 178.44 178.96 1zfs h LEU 37 N 1.05 0.59 -1.47 1.67 3.38 -1.37 -2.82 115.31 116.35 1zfs h LEU 37 Ca 0.21 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1zfs h LEU 37 Cb 0.45 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1zfs h LEU 37 CO 0.01 1.20 -0.03 0.06 0.09 0.00 0.00 178.44 179.77 1zfs h GLN 38 N 0.03 0.00 0.00 1.13 3.07 -1.47 2.36 115.11 120.23 1zfs h GLN 38 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 1zfs h GLN 38 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.80 1zfs h GLN 38 CO 0.11 0.03 -0.02 1.79 0.09 0.00 0.00 178.83 180.83 1zfs h THR 39 N 0.00 0.36 0.00 1.86 1.35 -1.16 -3.39 112.91 111.93 1zfs h THR 39 Ca -0.00 -1.27 -0.14 0.00 -0.55 0.00 0.00 66.41 64.45 1zfs h THR 39 Cb 0.52 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 1zfs h THR 39 CO 0.00 0.12 -1.53 -0.62 -0.25 0.00 0.00 175.52 173.24 1zfs n GLU 40 N -4.74 2.59 -0.73 4.72 1.02 -1.07 -4.67 120.64 117.75 1zfs n GLU 40 Ca -0.02 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 1zfs n GLU 40 Cb 0.11 -1.20 0.23 0.00 -0.02 0.00 0.00 31.44 30.55 1zfs n GLU 40 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1zfs n LEU 41 N -2.27 4.44 -0.38 -4.62 4.32 -0.47 -4.70 117.00 113.33 1zfs n LEU 41 Ca -0.12 -3.44 -0.02 0.00 -0.02 0.00 0.00 56.01 52.40 1zfs n LEU 41 Cb 0.73 -0.63 0.11 0.00 -1.62 0.00 0.00 43.42 42.01 1zfs n LEU 41 CO 0.17 0.99 1.30 0.77 -1.22 0.00 0.00 177.39 179.39 1zfs h SER 42 N 1.43 1.15 -0.49 -1.43 4.64 0.38 -1.93 113.55 117.30 1zfs h SER 42 Ca 0.18 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 1zfs h SER 42 Cb 1.75 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 1zfs h SER 42 CO 0.42 0.83 -0.21 0.77 -0.87 0.00 0.00 176.83 177.78 1zfs h SER 43 N 1.36 1.03 0.01 4.97 4.64 -1.84 -3.34 113.55 120.38 1zfs h SER 43 Ca 0.37 -0.39 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1zfs h SER 43 Cb -0.16 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.65 1zfs h SER 43 CO -0.08 1.20 -0.00 -0.26 -0.87 0.00 0.00 176.83 176.81 1zfs h PHE 44 N 0.87 -0.01 -2.10 4.77 -1.00 -1.87 -3.40 116.94 114.19 1zfs h PHE 44 Ca 0.11 -0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.33 1zfs h PHE 44 Cb 0.79 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.27 1zfs h PHE 44 CO 0.05 -0.01 1.13 -0.51 -1.61 0.00 0.00 178.31 177.36 1zfs s LEU 45 N -4.53 3.33 0.28 1.54 1.02 -0.74 -4.96 118.68 114.61 1zfs s LEU 45 Ca -0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 54.13 53.12 1zfs s LEU 45 Cb 0.00 -2.55 -0.12 0.00 0.02 0.00 0.00 46.19 43.54 1zfs s LEU 45 CO 0.00 -1.73 1.61 0.47 0.02 0.00 0.00 176.35 176.72 1zfs n ASP 46 N 9.14 3.82 0.00 2.29 8.00 -1.25 -4.51 116.55 134.04 1zfs n ASP 46 Ca 0.10 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1zfs n ASP 46 Cb 0.49 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 1zfs n ASP 46 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1zfs n VAL 47 N 2.41 0.00 0.32 2.53 3.14 -1.26 -4.72 118.33 120.75 1zfs n VAL 47 Ca 0.10 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.34 1zfs n VAL 47 Cb 0.36 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.07 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 -0.83 -0.48 1.45 4.20 -1.89 -3.19 115.11 114.37 1zfs h GLN 48 Ca 0.00 0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1zfs h GLN 48 Cb 0.00 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1zfs h GLN 48 CO 0.00 -0.54 0.11 1.57 -0.67 0.00 0.00 178.83 179.29 1zfs h LYS 49 N -1.21 0.77 -3.19 1.46 2.10 -1.97 -3.27 116.57 111.26 1zfs h LYS 49 Ca -0.09 -0.19 -0.80 0.00 -2.00 0.00 0.00 60.65 57.57 1zfs h LYS 49 Cb 0.68 -0.10 -0.26 0.00 -0.90 0.00 0.00 32.23 31.65 1zfs h LYS 49 CO 0.15 0.76 0.87 -0.25 -2.00 0.00 0.00 179.45 178.97 1zfs n ASP 50 N -4.47 6.05 0.33 7.07 8.00 -1.25 -4.78 116.55 127.50 1zfs n ASP 50 Ca 0.01 -3.28 0.14 0.00 0.71 0.00 0.00 54.79 52.37 1zfs n ASP 50 Cb 0.23 -1.33 0.76 0.00 -0.02 0.00 0.00 41.12 40.76 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 5.80 1.36 0.00 2.24 0.00 -1.61 2.22 119.26 129.26 1zfs h ALA 51 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1zfs h ALA 51 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1zfs h ALA 51 CO 1.29 -0.36 -0.44 0.38 0.00 0.00 0.00 179.25 180.13 1zfs h ASP 52 N 0.00 0.00 -0.49 0.00 2.03 -1.86 -2.95 116.42 113.15 1zfs h ASP 52 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1zfs h ASP 52 Cb 0.73 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.20 1zfs h ASP 52 CO 0.00 0.44 0.20 0.00 -1.03 0.00 0.00 179.24 178.85 1zfs h ALA 53 N 1.56 1.35 0.00 4.15 0.00 0.34 -2.11 119.26 124.55 1zfs h ALA 53 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1zfs h ALA 53 Cb 1.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zfs h ALA 53 CO 0.06 0.49 -0.52 -0.24 0.00 0.00 0.00 179.25 179.03 1zfs h VAL 54 N 0.77 0.95 -0.37 0.00 3.04 -1.52 -2.32 116.25 116.80 1zfs h VAL 54 Ca 0.18 -2.18 -0.17 0.00 -1.01 0.00 0.00 66.70 63.52 1zfs h VAL 54 Cb 0.17 2.36 -0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1zfs h VAL 54 CO -0.02 0.51 -0.42 0.44 -1.01 0.00 0.00 177.57 177.08 1zfs h ASP 55 N 0.00 1.01 -0.22 3.17 3.32 -1.32 -1.66 116.42 120.72 1zfs h ASP 55 Ca -0.01 -0.48 -0.16 0.00 0.02 0.00 0.00 57.03 56.41 1zfs h ASP 55 Cb 1.32 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1zfs h ASP 55 CO 0.07 1.28 -0.43 0.11 -1.72 0.00 0.00 179.24 178.55 1zfs h LYS 56 N 0.76 0.77 -0.23 3.56 1.57 -1.43 -1.75 116.57 119.82 1zfs h LYS 56 Ca 0.05 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 58.32 1zfs h LYS 56 Cb 1.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1zfs h LYS 56 CO 0.10 1.05 -0.24 0.97 -0.57 0.00 0.00 179.45 180.76 1zfs h ILE 57 N 0.62 1.25 -0.09 1.86 6.09 -1.33 -2.01 117.51 123.90 1zfs h ILE 57 Ca 0.04 -1.20 -0.13 0.00 -1.37 0.00 0.00 64.86 62.20 1zfs h ILE 57 Cb 1.00 1.34 -0.01 0.00 0.47 0.00 0.00 36.82 39.62 1zfs h ILE 57 CO 0.09 0.38 -0.54 0.24 -3.07 0.00 0.00 178.15 175.26 1zfs h MET 58 N 0.37 0.26 -0.41 2.19 2.86 -1.07 -2.21 114.93 116.92 1zfs h MET 58 Ca 0.06 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1zfs h MET 58 Cb 0.62 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1zfs h MET 58 CO 0.04 0.73 0.27 -0.22 1.06 0.00 0.00 176.91 178.80 1zfs h LYS 59 N 0.20 0.55 -0.23 1.72 1.63 -0.57 0.38 116.57 120.24 1zfs h LYS 59 Ca 0.00 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.58 1zfs h LYS 59 Cb 1.01 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1zfs h LYS 59 CO 0.08 0.36 -0.62 0.93 -3.45 0.00 0.00 179.45 176.76 1zfs h GLU 60 N 0.56 0.80 0.00 1.90 4.39 -1.46 -3.11 114.58 117.66 1zfs h GLU 60 Ca 0.15 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1zfs h GLU 60 Cb -0.06 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1zfs h GLU 60 CO -0.03 1.17 0.00 1.28 -1.16 0.00 0.00 179.01 180.27 1zfs n LEU 61 N -3.97 1.21 -3.31 1.33 4.32 -0.84 -3.80 117.00 111.94 1zfs n LEU 61 Ca -0.05 0.31 -0.35 0.00 -0.02 0.00 0.00 56.01 55.90 1zfs n LEU 61 Cb 0.66 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.42 1zfs n LEU 61 CO 0.51 -0.01 3.09 -0.67 -1.22 0.00 0.00 177.39 179.08 1zfs n ASP 62 N -0.54 7.42 0.13 -1.43 -0.08 0.13 -4.56 116.55 117.61 1zfs n ASP 62 Ca 0.00 -2.53 0.07 0.00 -1.51 0.00 0.00 54.79 50.82 1zfs n ASP 62 Cb 0.00 -1.44 0.35 0.00 2.34 0.00 0.00 41.12 42.37 1zfs n ASP 62 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1zfs n GLU 63 N 3.95 0.09 0.13 -0.67 0.28 -1.17 0.13 120.64 123.38 1zfs n GLU 63 Ca 0.68 0.55 0.13 0.00 -0.16 0.00 0.00 57.16 58.36 1zfs n GLU 63 Cb 0.22 -1.94 0.37 0.00 1.43 0.00 0.00 31.44 31.51 1zfs n GLU 63 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1zfs h ASN 64 N 0.00 0.00 -1.32 -1.84 -1.24 -1.86 -3.47 115.58 105.85 1zfs h ASN 64 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.78 1zfs h ASN 64 Cb 0.32 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 1zfs h ASN 64 CO 0.00 0.00 -0.27 0.61 -1.29 0.00 0.00 177.43 176.48 1zfs n GLY 65 N 1.17 0.26 0.16 1.57 0.00 0.36 -4.88 105.19 103.82 1zfs n GLY 65 Ca 0.05 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.06 0.69 0.00 1.61 5.68 -1.26 -4.90 116.55 118.31 1zfs n ASP 66 Ca -0.13 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.51 1zfs n ASP 66 Cb 0.54 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1zfs n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1zfs n GLY 67 N 1.32 0.77 3.19 6.12 0.00 -1.26 -4.97 105.19 110.36 1zfs n GLY 67 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.22 1.11 0.11 1.61 2.02 -1.26 -3.20 118.70 118.87 1zfs s GLU 68 Ca 0.00 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.23 1zfs s GLU 68 Cb 0.00 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.02 1zfs s GLU 68 CO 0.00 0.29 -0.12 0.08 0.02 0.00 0.00 175.26 175.53 1zfs s VAL 69 N -0.83 3.23 -0.49 2.63 1.01 -0.97 -4.73 120.40 120.25 1zfs s VAL 69 Ca 0.04 -1.33 0.10 0.00 0.00 0.00 0.00 61.98 60.79 1zfs s VAL 69 Cb -0.08 -2.50 0.56 0.00 0.00 0.00 0.00 36.38 34.36 1zfs s VAL 69 CO 0.01 0.11 1.36 -0.90 0.00 0.00 0.00 175.10 175.68 1zfs n ASP 70 N 0.74 4.25 0.00 3.32 5.75 -1.26 -1.87 116.55 127.48 1zfs n ASP 70 Ca -0.14 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 1zfs n ASP 70 Cb 0.52 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1zfs n ASP 70 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1zfs n PHE 71 N 0.43 0.00 -0.21 2.11 7.35 -1.26 -4.45 117.46 121.43 1zfs n PHE 71 Ca 0.19 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.83 1zfs n PHE 71 Cb 0.90 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.85 1zfs n PHE 71 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1zfs h GLN 72 N 0.00 1.02 -1.01 -4.13 4.15 -2.01 -2.13 115.11 111.01 1zfs h GLN 72 Ca 0.00 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.22 1zfs h GLN 72 Cb 0.00 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.49 1zfs h GLN 72 CO 0.00 0.88 0.67 0.93 -1.93 0.00 0.00 178.83 179.37 1zfs h GLU 73 N 0.98 1.32 -0.51 1.69 5.08 -1.94 -2.94 114.58 118.27 1zfs h GLU 73 Ca 0.22 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1zfs h GLU 73 Cb 0.29 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1zfs h GLU 73 CO -0.01 0.87 -0.18 0.35 -1.00 0.00 0.00 179.01 179.05 1zfs h PHE 74 N 1.36 1.15 -0.39 4.33 3.04 -1.76 -3.15 116.94 121.52 1zfs h PHE 74 Ca 0.37 -0.27 -0.16 0.00 3.98 0.00 0.00 57.97 61.90 1zfs h PHE 74 Cb -0.15 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.08 1zfs h PHE 74 CO -0.00 1.09 -0.37 -0.24 -2.02 0.00 0.00 178.31 176.77 1zfs h VAL 75 N 0.88 1.27 -0.37 1.41 3.04 -1.25 -3.02 116.25 118.21 1zfs h VAL 75 Ca 0.12 -1.54 -0.16 0.00 -1.01 0.00 0.00 66.70 64.10 1zfs h VAL 75 Cb 0.75 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1zfs h VAL 75 CO 0.06 0.52 -0.41 0.58 -1.01 0.00 0.00 177.57 177.31 1zfs h VAL 76 N 0.77 1.27 0.45 1.51 2.07 -1.62 -1.81 116.25 118.89 1zfs h VAL 76 Ca 0.07 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1zfs h VAL 76 Cb 0.97 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1zfs h VAL 76 CO 0.09 0.53 -0.22 0.25 0.02 0.00 0.00 177.57 178.25 1zfs h LEU 77 N 0.74 -0.51 -0.90 2.57 7.12 -1.58 -3.07 115.31 119.67 1zfs h LEU 77 Ca 0.05 -0.09 -0.03 0.00 0.13 0.00 0.00 57.88 57.94 1zfs h LEU 77 Cb 1.01 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1zfs h LEU 77 CO 0.10 -0.18 -0.14 -0.37 -0.13 0.00 0.00 178.44 177.72 1zfs h VAL 78 N -0.87 0.31 0.03 1.05 -1.51 -1.64 -3.09 116.25 110.53 1zfs h VAL 78 Ca -0.06 -1.02 -0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1zfs h VAL 78 Cb 0.57 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1zfs h VAL 78 CO 0.10 0.14 -0.02 0.00 -1.23 0.00 0.00 177.57 176.56 1zfs h ALA 79 N 1.86 -0.05 -0.64 5.19 0.00 -1.32 -2.74 119.26 121.56 1zfs h ALA 79 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1zfs h ALA 79 Cb 0.79 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zfs h ALA 79 CO 0.02 -0.45 0.05 0.00 0.00 0.00 0.00 179.25 178.87 1zfs h ALA 80 N 0.77 0.86 0.00 0.00 0.00 -1.53 -2.76 119.26 116.60 1zfs h ALA 80 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1zfs h ALA 80 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1zfs h ALA 80 CO 0.01 0.67 -0.00 1.25 0.00 0.00 0.00 179.25 181.17 1zfs h LEU 81 N 1.01 -0.00 -0.75 0.00 5.85 -1.46 -2.44 115.31 117.52 1zfs h LEU 81 Ca 0.19 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1zfs h LEU 81 Cb 0.51 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1zfs h LEU 81 CO 0.02 0.02 0.22 0.74 -0.34 0.00 0.00 178.44 179.10 1zfs h THR 82 N -0.03 1.26 -0.60 1.05 2.02 -1.51 -2.87 112.91 112.24 1zfs h THR 82 Ca -0.00 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.26 1zfs h THR 82 Cb 0.03 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1zfs h THR 82 CO 0.00 0.37 0.40 0.58 0.37 0.00 0.00 175.52 177.24 1zfs h VAL 83 N 1.11 1.15 -0.87 3.16 2.07 -1.35 -2.19 116.25 119.33 1zfs h VAL 83 Ca 0.24 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1zfs h VAL 83 Cb 0.32 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1zfs h VAL 83 CO -0.01 0.15 0.58 0.00 0.02 0.00 0.00 177.57 178.31 1zfs h ALA 84 N 1.22 1.38 -1.00 1.67 0.00 -1.26 -2.33 119.26 118.94 1zfs h ALA 84 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zfs h ALA 84 Cb -0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.30 1zfs h ALA 84 CO -0.05 0.57 0.67 0.00 0.00 0.00 0.00 179.25 180.43 1zfs h ASN 86 N 1.36 1.15 1.13 0.00 2.35 -1.25 0.34 115.58 120.65 1zfs h ASN 86 Ca 0.37 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1zfs h ASN 86 Cb -0.15 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 37.93 1zfs h ASN 86 CO -0.08 0.83 -0.06 0.78 -1.65 0.00 0.00 177.43 177.25 1zfs h ASN 87 N 1.35 0.00 -0.98 5.81 2.35 -1.29 -2.99 115.58 119.84 1zfs h ASN 87 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1zfs h ASN 87 Cb -0.15 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 1zfs h ASN 87 CO -0.08 0.06 0.62 0.15 -1.65 0.00 0.00 177.43 176.53 1zfs h PHE 88 N 0.00 1.26 0.00 1.19 3.04 0.15 -0.81 116.94 121.77 1zfs h PHE 88 Ca -0.00 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 1zfs h PHE 88 Cb 0.64 -0.42 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1zfs h PHE 88 CO 0.00 0.81 -0.36 0.74 -2.02 0.00 0.00 178.31 177.48 1zfs h PHE 89 N 1.34 0.00 0.00 0.41 0.04 -1.47 -2.14 116.94 115.12 1zfs h PHE 89 Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 1zfs h PHE 89 Cb -0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1zfs h PHE 89 CO 0.00 0.36 0.00 0.91 -0.60 0.00 0.00 178.31 178.98 1zfs n TRP 90 N -3.86 0.35 -0.26 -0.55 7.02 -0.35 -3.23 117.44 116.56 1zfs n TRP 90 Ca -0.01 0.12 -0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1zfs n TRP 90 Cb 0.43 -0.69 0.20 0.00 -2.42 0.00 0.00 31.31 28.83 1zfs n TRP 90 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1zfs h GLU 91 N 0.00 1.09 -1.01 -0.99 5.08 -0.96 -1.59 114.58 116.21 1zfs h GLU 91 Ca 0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1zfs h GLU 91 Cb 0.48 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1zfs h GLU 91 CO 0.00 0.72 0.67 -0.91 -1.00 0.00 0.00 179.01 178.49 1zfs h ASN 92 N 1.12 1.16 0.00 1.42 2.35 -1.73 -3.53 115.58 116.37 1zfs h ASN 92 Ca 0.30 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1zfs h ASN 92 Cb -0.12 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 37.96 1zfs h ASN 92 CO -0.06 0.84 0.00 -0.24 -1.65 0.00 0.00 177.43 176.31