#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 1.18 -0.02 1.61 3.41 -1.26 -3.90 113.62 114.64 1zfs n SER 2 Ca 0.00 -1.27 -0.11 0.00 -0.26 0.00 0.00 58.87 57.23 1zfs n SER 2 Cb 0.00 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 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 0.52 0.20 -0.38 4.33 5.08 -2.05 2.50 114.58 124.78 1zfs h GLU 3 Ca 0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1zfs h GLU 3 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1zfs h GLU 3 CO 0.00 0.14 -0.40 1.25 -1.00 0.00 0.00 179.01 179.00 1zfs h LEU 4 N 0.20 1.01 -0.59 1.33 5.85 -2.01 -1.94 115.31 119.16 1zfs h LEU 4 Ca 0.06 -0.47 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 1zfs h LEU 4 Cb -0.01 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1zfs h LEU 4 CO -0.01 1.28 -0.09 -0.08 -0.34 0.00 0.00 178.44 179.20 1zfs h GLU 5 N 0.77 1.03 0.00 1.25 4.81 -1.69 -1.35 114.58 119.39 1zfs h GLU 5 Ca 0.06 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1zfs h GLU 5 Cb 1.00 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1zfs h GLU 5 CO 0.10 1.06 -0.04 1.15 -0.73 0.00 0.00 179.01 180.54 1zfs h THR 6 N 0.92 0.25 -0.41 0.32 2.02 0.45 -1.92 112.91 114.54 1zfs h THR 6 Ca 0.15 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 1zfs h THR 6 Cb 0.65 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1zfs h THR 6 CO 0.05 0.04 -0.26 0.00 0.37 0.00 0.00 175.52 175.71 1zfs h ALA 7 N 1.96 0.76 0.02 6.16 0.00 -0.44 -2.20 119.26 125.51 1zfs h ALA 7 Ca -0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 1zfs h ALA 7 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1zfs h ALA 7 CO 0.01 0.66 -1.11 0.52 0.00 0.00 0.00 179.25 179.32 1zfs h MET 8 N 0.74 0.04 -0.01 0.00 2.07 -1.32 -3.15 114.93 113.30 1zfs h MET 8 Ca 0.09 -0.07 -0.15 0.00 -2.07 0.00 0.00 59.70 57.50 1zfs h MET 8 Cb 0.81 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.55 1zfs h MET 8 CO 0.07 0.99 -0.70 1.05 1.07 0.00 0.00 176.91 179.39 1zfs h GLU 9 N 0.01 0.03 0.00 1.72 4.11 -1.41 -3.15 114.58 115.90 1zfs h GLU 9 Ca -0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1zfs h GLU 9 Cb 1.83 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1zfs h GLU 9 CO 0.14 0.71 -0.00 0.00 0.07 0.00 0.00 179.01 179.93 1zfs h THR 10 N 0.02 1.63 -0.07 -1.06 1.03 -1.47 -3.13 112.91 109.87 1zfs h THR 10 Ca -0.01 -2.18 -0.00 0.00 -0.01 0.00 0.00 66.41 64.21 1zfs h THR 10 Cb 1.23 3.07 -0.00 0.00 -1.07 0.00 0.00 68.15 71.37 1zfs h THR 10 CO 0.09 0.55 0.03 0.17 -0.01 0.00 0.00 175.52 176.34 1zfs h LEU 11 N -0.98 0.08 -0.73 0.00 8.10 -1.66 -1.33 115.31 118.78 1zfs h LEU 11 Ca -0.00 -0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.88 1zfs h LEU 11 Cb 0.90 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 1zfs h LEU 11 CO 0.00 0.07 -0.53 0.16 -4.11 0.00 0.00 178.44 174.04 1zfs h ILE 12 N 0.09 1.17 -0.00 0.15 3.07 -1.64 -2.33 117.51 118.01 1zfs h ILE 12 Ca 0.02 -1.95 -0.09 0.00 1.55 0.00 0.00 64.86 64.39 1zfs h ILE 12 Cb 0.02 2.12 0.01 0.00 -0.27 0.00 0.00 36.82 38.70 1zfs h ILE 12 CO -0.00 0.52 -0.36 -1.13 -1.05 0.00 0.00 178.15 176.13 1zfs h ASN 13 N 0.00 0.32 0.04 2.16 -1.24 -1.19 -2.29 115.58 113.37 1zfs h ASN 13 Ca -0.01 -0.77 -0.07 0.00 0.71 0.00 0.00 56.30 56.17 1zfs h ASN 13 Cb 1.08 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 1zfs h ASN 13 CO 0.07 1.04 -0.21 -0.37 -1.29 0.00 0.00 177.43 176.67 1zfs h VAL 14 N -0.37 1.23 -0.61 2.57 -1.51 -1.52 0.97 116.25 117.01 1zfs h VAL 14 Ca -0.04 -1.08 0.01 0.00 -1.23 0.00 0.00 66.70 64.35 1zfs h VAL 14 Cb 1.10 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 31.56 1zfs h VAL 14 CO 0.07 0.34 0.40 0.15 -1.23 0.00 0.00 177.57 177.30 1zfs h PHE 15 N 0.29 0.77 -0.01 5.19 3.57 -1.39 -0.89 116.94 124.47 1zfs h PHE 15 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1zfs h PHE 15 Cb 0.55 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1zfs h PHE 15 CO 0.01 0.49 -0.16 0.72 -2.23 0.00 0.00 178.31 177.14 1zfs n HIS 16 N -4.66 0.00 0.14 0.41 8.25 -0.87 -1.94 115.22 116.55 1zfs n HIS 16 Ca 0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.26 1zfs n HIS 16 Cb 0.02 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 30.84 1zfs n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zfs h ALA 17 N 3.74 -0.12 0.00 -1.41 0.00 0.58 -3.31 119.26 118.74 1zfs h ALA 17 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 1zfs h ALA 17 Cb 0.43 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1zfs h ALA 17 CO 0.00 0.74 -1.90 0.72 0.00 0.00 0.00 179.25 178.81 1zfs n HIS 18 N -3.70 0.00 0.22 0.00 8.25 -0.92 -4.11 115.22 114.95 1zfs n HIS 18 Ca -0.18 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.36 1zfs n HIS 18 Cb 1.10 -0.53 0.51 0.00 1.12 0.00 0.00 29.99 32.20 1zfs n HIS 18 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1zfs h SER 19 N 0.00 0.00 -0.21 0.41 0.02 -1.57 -2.10 113.55 110.11 1zfs h SER 19 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1zfs h SER 19 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1zfs h SER 19 CO 0.01 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 1zfs n GLY 20 N -0.29 1.19 0.19 -3.77 0.00 -1.25 -2.80 105.19 98.47 1zfs n GLY 20 Ca -0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 4.21 0.37 -0.01 1.61 3.64 -1.53 -2.99 116.57 121.87 1zfs h LYS 21 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1zfs h LYS 21 Cb 0.91 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1zfs h LYS 21 CO 0.00 0.82 -0.40 0.39 -2.27 0.00 0.00 179.45 177.98 1zfs n GLU 22 N -3.94 0.84 0.00 1.90 1.02 -1.26 -4.92 120.64 114.28 1zfs n GLU 22 Ca -0.02 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 1zfs n GLU 22 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 1.39 1.53 1.96 0.62 0.00 -1.13 -4.88 105.19 104.68 1zfs n GLY 23 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1zfs n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zfs n ASP 24 N 0.00 6.21 0.00 1.61 8.00 -1.25 -4.54 116.55 126.58 1zfs n ASP 24 Ca 0.00 -2.95 0.01 0.00 0.71 0.00 0.00 54.79 52.56 1zfs n ASP 24 Cb 0.00 -1.13 0.04 0.00 -0.02 0.00 0.00 41.12 40.01 1zfs n ASP 24 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1zfs n LYS 25 N 0.80 0.01 0.05 -1.24 2.85 -1.12 -1.24 118.16 118.27 1zfs n LYS 25 Ca 0.30 0.37 0.13 0.00 -1.05 0.00 0.00 58.31 58.06 1zfs n LYS 25 Cb 0.59 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.80 1zfs n LYS 25 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1zfs n TYR 26 N -1.39 0.44 -3.44 5.58 4.01 -1.26 -4.91 117.16 116.20 1zfs n TYR 26 Ca 0.01 0.13 -0.12 0.00 -0.16 0.00 0.00 57.90 57.76 1zfs n TYR 26 Cb 0.02 -0.62 -0.02 0.00 -0.31 0.00 0.00 39.34 38.41 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 -3.09 1.29 0.62 -0.72 2.20 -0.38 -5.11 119.74 114.57 1zfs s LYS 27 Ca 0.10 -0.49 -0.07 0.00 -0.36 0.00 0.00 55.97 55.15 1zfs s LYS 27 Cb 0.15 0.59 0.01 0.00 -1.51 0.00 0.00 37.83 37.07 1zfs s LYS 27 CO 0.65 -0.57 0.96 -1.17 -0.36 0.00 0.00 175.35 174.86 1zfs s LEU 28 N -2.75 3.13 0.23 5.43 2.96 -0.73 -4.80 118.68 122.15 1zfs s LEU 28 Ca 0.01 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 1zfs s LEU 28 Cb -0.01 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1zfs s LEU 28 CO -0.12 -1.15 0.08 -0.44 -1.32 0.00 0.00 176.35 173.39 1zfs s SER 29 N -4.32 1.08 0.23 3.68 0.01 -1.26 -2.32 113.70 110.79 1zfs s SER 29 Ca 0.55 -1.33 -0.08 0.00 1.31 0.00 0.00 55.95 56.40 1zfs s SER 29 Cb -0.11 0.18 0.21 0.00 0.21 0.00 0.00 66.02 66.51 1zfs s SER 29 CO 0.47 -0.70 1.89 0.50 0.41 0.00 0.00 173.24 175.81 1zfs h LYS 30 N 2.49 1.10 0.03 12.44 3.64 -1.94 -2.76 116.57 131.57 1zfs h LYS 30 Ca -0.38 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 58.72 1zfs h LYS 30 Cb 1.24 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1zfs h LYS 30 CO 0.60 0.73 -1.02 -0.22 -2.27 0.00 0.00 179.45 177.27 1zfs h LYS 31 N 1.13 0.10 -0.38 1.90 3.11 -1.97 -3.10 116.57 117.36 1zfs h LYS 31 Ca 0.32 -0.15 -0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1zfs h LYS 31 Cb -0.10 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 1zfs h LYS 31 CO -0.08 1.03 0.22 0.93 -2.81 0.00 0.00 179.45 178.74 1zfs h GLU 32 N 0.03 0.53 -0.06 1.90 5.08 -1.85 -2.60 114.58 117.62 1zfs h GLU 32 Ca -0.04 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1zfs h GLU 32 Cb 1.74 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1zfs h GLU 32 CO 0.15 0.41 -0.48 1.37 -1.00 0.00 0.00 179.01 179.45 1zfs h LEU 33 N 0.50 0.15 -0.92 1.33 8.10 -1.58 -3.05 115.31 119.85 1zfs h LEU 33 Ca 0.14 -0.07 -0.01 0.00 0.11 0.00 0.00 57.88 58.04 1zfs h LEU 33 Cb 0.02 -0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1zfs h LEU 33 CO -0.02 0.61 0.52 0.50 -4.11 0.00 0.00 178.44 175.94 1zfs h LYS 34 N 0.11 1.27 -0.58 0.17 3.64 -1.39 -2.49 116.57 117.31 1zfs h LYS 34 Ca 0.00 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1zfs h LYS 34 Cb 0.90 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1zfs h LYS 34 CO 0.07 0.91 -0.05 0.38 -2.27 0.00 0.00 179.45 178.50 1zfs h ASP 35 N 1.28 1.03 -0.87 4.20 3.04 -1.39 -2.68 116.42 121.02 1zfs h ASP 35 Ca 0.33 -0.31 -0.00 0.00 -3.24 0.00 0.00 57.03 53.80 1zfs h ASP 35 Cb -0.00 -0.28 -0.04 0.00 -1.04 0.00 0.00 39.33 37.97 1zfs h ASP 35 CO -0.06 1.10 0.54 -0.07 -2.04 0.00 0.00 179.24 178.72 1zfs h LEU 36 N 0.94 1.04 0.07 0.15 3.38 -1.41 0.12 115.31 119.60 1zfs h LEU 36 Ca 0.16 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 1zfs h LEU 36 Cb 0.61 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 41.12 1zfs h LEU 36 CO 0.04 0.78 -0.89 -0.07 0.09 0.00 0.00 178.44 178.39 1zfs h LEU 37 N 1.20 0.66 -1.10 1.67 3.38 -1.43 -3.13 115.31 116.55 1zfs h LEU 37 Ca 0.32 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1zfs h LEU 37 Cb -0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1zfs h LEU 37 CO -0.06 1.41 -0.12 0.06 0.09 0.00 0.00 178.44 179.81 1zfs h GLN 38 N 0.00 0.00 0.37 1.13 3.07 -1.43 0.69 115.11 118.94 1zfs h GLN 38 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 1zfs h GLN 38 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.17 1zfs h GLN 38 CO 0.17 0.12 -0.18 1.79 0.09 0.00 0.00 178.83 180.83 1zfs h THR 39 N 0.00 0.38 0.00 1.86 1.35 -0.76 -3.36 112.91 112.38 1zfs h THR 39 Ca -0.00 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1zfs h THR 39 Cb 0.70 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1zfs h THR 39 CO 0.02 0.08 -1.35 -0.62 -0.25 0.00 0.00 175.52 173.40 1zfs n GLU 40 N -5.12 0.29 -0.82 4.72 -0.58 -1.19 -4.70 120.64 113.25 1zfs n GLU 40 Ca -0.08 -0.07 -0.05 0.00 -0.42 0.00 0.00 57.16 56.54 1zfs n GLU 40 Cb 0.26 -1.18 0.20 0.00 -0.57 0.00 0.00 31.44 30.16 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 -1.78 4.39 -0.34 -4.62 4.32 0.22 -4.73 117.00 114.46 1zfs n LEU 41 Ca -0.02 -3.68 -0.03 0.00 -0.02 0.00 0.00 56.01 52.26 1zfs n LEU 41 Cb 0.21 -0.65 0.09 0.00 -1.62 0.00 0.00 43.42 41.45 1zfs n LEU 41 CO 0.16 1.18 1.26 0.28 -1.22 0.00 0.00 177.39 179.05 1zfs h SER 42 N 1.10 1.05 -0.28 -1.43 0.02 -1.20 -1.96 113.55 110.85 1zfs h SER 42 Ca 0.24 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 1zfs h SER 42 Cb 1.77 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 1zfs h SER 42 CO 0.45 0.76 -0.44 0.28 -1.14 0.00 0.00 176.83 176.74 1zfs h SER 43 N 1.24 0.87 0.00 3.07 0.02 -1.88 -3.36 113.55 113.52 1zfs h SER 43 Ca 0.33 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1zfs h SER 43 Cb -0.14 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.15 1zfs h SER 43 CO -0.07 1.22 0.00 0.49 -1.14 0.00 0.00 176.83 177.33 1zfs n PHE 44 N -4.13 0.00 -2.69 3.45 3.72 -1.16 -4.56 117.46 112.11 1zfs n PHE 44 Ca -0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 1zfs n PHE 44 Cb 0.56 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 1zfs n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1zfs s LEU 45 N -3.99 3.89 0.19 4.37 1.02 -0.75 -4.97 118.68 118.43 1zfs s LEU 45 Ca 0.00 -1.23 -0.32 0.00 0.02 0.00 0.00 54.13 52.60 1zfs s LEU 45 Cb 0.00 -2.50 -0.11 0.00 0.02 0.00 0.00 46.19 43.59 1zfs s LEU 45 CO 0.00 -1.49 1.71 -1.81 0.02 0.00 0.00 176.35 174.78 1zfs s ASP 46 N 4.15 6.43 0.00 2.29 1.01 -1.26 -4.49 116.67 124.80 1zfs s ASP 46 Ca 0.36 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.42 1zfs s ASP 46 Cb -0.06 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1zfs s ASP 46 CO 0.00 -0.95 0.00 0.55 0.21 0.00 0.00 175.17 174.98 1zfs n VAL 47 N 4.09 0.00 -0.43 -1.27 3.14 -1.26 -4.75 118.33 117.86 1zfs n VAL 47 Ca 0.16 0.00 0.35 0.00 -2.96 0.00 0.00 64.34 61.89 1zfs n VAL 47 Cb 0.36 0.00 0.63 0.00 -1.06 0.00 0.00 33.84 33.77 1zfs n VAL 47 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 1zfs h GLN 48 N 0.00 0.13 -0.09 1.45 3.07 -1.87 0.60 115.11 118.39 1zfs h GLN 48 Ca 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.61 1zfs h GLN 48 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.54 1zfs h GLN 48 CO 0.00 0.08 -0.40 0.87 0.09 0.00 0.00 178.83 179.47 1zfs h LYS 49 N 0.13 0.44 -3.68 0.06 1.57 -1.96 -3.37 116.57 109.76 1zfs h LYS 49 Ca 0.78 -0.35 -0.76 0.00 -1.87 0.00 0.00 60.65 58.46 1zfs h LYS 49 Cb 2.41 0.07 -0.30 0.00 0.08 0.00 0.00 32.23 34.50 1zfs h LYS 49 CO -0.39 0.98 -0.01 0.16 -0.57 0.00 0.00 179.45 179.62 1zfs s ASP 50 N -6.53 6.33 0.62 0.86 1.47 0.21 -4.87 116.67 114.76 1zfs s ASP 50 Ca -0.13 -2.92 0.41 0.00 1.18 0.00 0.00 52.55 51.08 1zfs s ASP 50 Cb 0.05 -2.09 2.23 0.00 -0.34 0.00 0.00 42.92 42.77 1zfs s ASP 50 CO 0.80 -0.45 2.26 0.00 0.68 0.00 0.00 175.17 178.46 1zfs h ALA 51 N 7.30 1.00 0.00 2.11 0.00 -1.72 0.24 119.26 128.19 1zfs h ALA 51 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1zfs h ALA 51 Cb 0.98 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1zfs h ALA 51 CO 0.77 0.00 -0.23 0.38 0.00 0.00 0.00 179.25 180.17 1zfs h ASP 52 N 0.00 0.00 -0.42 0.00 2.03 -1.89 -3.14 116.42 113.00 1zfs h ASP 52 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1zfs h ASP 52 Cb 0.02 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1zfs h ASP 52 CO 0.00 0.23 -0.28 0.00 -1.03 0.00 0.00 179.24 178.16 1zfs h ALA 53 N 1.77 0.67 -0.03 4.15 0.00 -0.83 -2.44 119.26 122.55 1zfs h ALA 53 Ca -0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1zfs h ALA 53 Cb 1.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1zfs h ALA 53 CO 0.03 0.67 -0.52 -0.24 0.00 0.00 0.00 179.25 179.19 1zfs h VAL 54 N 0.80 1.37 -0.65 0.00 3.04 -1.54 -2.53 116.25 116.75 1zfs h VAL 54 Ca 0.09 -1.79 -0.09 0.00 -1.01 0.00 0.00 66.70 63.90 1zfs h VAL 54 Cb 0.86 1.94 -0.02 0.00 -2.01 0.00 0.00 31.29 32.06 1zfs h VAL 54 CO 0.08 0.52 0.06 0.44 -1.01 0.00 0.00 177.57 177.66 1zfs h ASP 55 N 0.06 1.07 -0.40 3.17 3.32 -1.45 -2.33 116.42 119.86 1zfs h ASP 55 Ca -0.00 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 1zfs h ASP 55 Cb 0.94 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1zfs h ASP 55 CO 0.07 1.08 -0.36 0.11 -1.72 0.00 0.00 179.24 178.42 1zfs h LYS 56 N 1.02 0.96 0.00 3.56 1.57 -1.21 -1.57 116.57 120.89 1zfs h LYS 56 Ca 0.19 -0.49 -0.16 0.00 -1.87 0.00 0.00 60.65 58.32 1zfs h LYS 56 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1zfs h LYS 56 CO 0.02 1.15 -0.76 -0.84 -0.57 0.00 0.00 179.45 178.45 1zfs h ILE 57 N 0.79 1.48 -0.01 1.86 3.07 -1.43 -2.93 117.51 120.33 1zfs h ILE 57 Ca 0.07 -2.67 -0.17 0.00 1.55 0.00 0.00 64.86 63.64 1zfs h ILE 57 Cb 0.95 2.47 -0.02 0.00 -0.27 0.00 0.00 36.82 39.96 1zfs h ILE 57 CO 0.09 0.75 -0.75 -0.03 -1.05 0.00 0.00 178.15 177.16 1zfs h MET 58 N 0.00 0.12 -0.00 0.16 4.05 -1.41 -3.04 114.93 114.81 1zfs h MET 58 Ca -0.01 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1zfs h MET 58 Cb 1.41 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.24 1zfs h MET 58 CO 0.10 0.82 0.00 -0.22 0.23 0.00 0.00 176.91 177.84 1zfs h LYS 59 N 0.08 0.00 -0.77 0.39 3.64 -1.09 0.97 116.57 119.79 1zfs h LYS 59 Ca -0.02 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1zfs h LYS 59 Cb 1.32 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 1zfs h LYS 59 CO 0.11 0.00 0.33 0.93 -2.27 0.00 0.00 179.45 178.55 1zfs h GLU 60 N 0.00 1.12 0.54 1.90 5.08 -1.59 -1.52 114.58 120.12 1zfs h GLU 60 Ca 0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1zfs h GLU 60 Cb 0.00 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.06 1zfs h GLU 60 CO -0.00 0.89 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.57 1zfs h LEU 61 N 1.11 -0.61 -3.45 1.33 4.07 -1.31 -3.15 115.31 113.29 1zfs h LEU 61 Ca 0.26 0.02 -0.16 0.00 0.08 0.00 0.00 57.88 58.08 1zfs h LEU 61 Cb 0.17 0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.00 1zfs h LEU 61 CO -0.03 -0.22 0.07 0.47 -1.08 0.00 0.00 178.44 177.65 1zfs n ASP 62 N -5.13 5.72 0.32 -0.43 8.00 0.33 -4.48 116.55 120.87 1zfs n ASP 62 Ca -0.09 -2.66 0.10 0.00 0.71 0.00 0.00 54.79 52.85 1zfs n ASP 62 Cb 0.29 -1.18 0.54 0.00 -0.02 0.00 0.00 41.12 40.75 1zfs n ASP 62 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1zfs h GLU 63 N 1.68 0.00 0.00 -1.24 4.81 -1.23 2.34 114.58 120.94 1zfs h GLU 63 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1zfs h GLU 63 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1zfs h GLU 63 CO 0.32 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 176.89 1zfs n ASN 64 N -2.69 0.00 -1.51 1.04 5.15 -1.26 -4.90 115.26 111.09 1zfs n ASN 64 Ca -0.01 0.38 -0.12 0.00 -0.60 0.00 0.00 54.58 54.23 1zfs n ASN 64 Cb 0.55 -0.46 0.01 0.00 -0.53 0.00 0.00 39.78 39.35 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zfs n GLY 65 N 1.26 -0.02 0.48 8.20 0.00 0.79 -4.90 105.19 110.99 1zfs n GLY 65 Ca 0.08 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.34 1.49 0.00 1.61 5.75 -1.26 -4.88 116.55 118.93 1zfs n ASP 66 Ca -0.09 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 1zfs n ASP 66 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 3.17 6.12 0.00 -1.26 -4.86 105.19 109.53 1zfs n GLY 67 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.22 0.96 -0.03 1.61 0.41 -1.26 -3.25 118.70 115.92 1zfs s GLU 68 Ca 0.00 -0.84 0.07 0.00 -0.41 0.00 0.00 54.97 53.79 1zfs s GLU 68 Cb 0.00 -0.99 -0.02 0.00 -1.78 0.00 0.00 34.13 31.34 1zfs s GLU 68 CO 0.00 0.24 -0.24 0.08 -0.49 0.00 0.00 175.26 174.85 1zfs s VAL 69 N -0.95 2.22 -1.50 2.63 1.01 -0.98 -4.71 120.40 118.12 1zfs s VAL 69 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1zfs s VAL 69 Cb -0.08 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1zfs s VAL 69 CO 0.02 0.58 0.69 -0.67 0.00 0.00 0.00 175.10 175.71 1zfs n ASP 70 N 2.53 0.45 0.00 3.32 -0.08 -1.26 -1.77 116.55 119.75 1zfs n ASP 70 Ca -0.16 -1.82 0.00 0.00 -1.51 0.00 0.00 54.79 51.29 1zfs n ASP 70 Cb 0.51 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1zfs n ASP 70 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1zfs n PHE 71 N -0.23 0.00 -0.21 -0.67 7.35 -1.26 -4.36 117.46 118.08 1zfs n PHE 71 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1zfs n PHE 71 Cb 0.11 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.97 1zfs n PHE 71 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1zfs h GLN 72 N 0.00 1.07 -0.96 -4.13 4.20 -2.01 -2.30 115.11 110.97 1zfs h GLN 72 Ca 0.00 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 1zfs h GLN 72 Cb 0.00 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1zfs h GLN 72 CO 0.00 1.06 0.60 0.93 -0.67 0.00 0.00 178.83 180.74 1zfs h GLU 73 N 0.98 1.30 -0.13 1.46 5.08 -1.95 -2.95 114.58 118.36 1zfs h GLU 73 Ca 0.17 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1zfs h GLU 73 Cb 0.59 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1zfs h GLU 73 CO 0.03 0.90 0.09 0.35 -1.00 0.00 0.00 179.01 179.38 1zfs h PHE 74 N 1.33 0.17 -0.98 4.33 3.57 -1.77 -3.00 116.94 120.59 1zfs h PHE 74 Ca 0.35 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.86 1zfs h PHE 74 Cb -0.08 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1zfs h PHE 74 CO 0.00 0.11 0.65 0.28 -2.23 0.00 0.00 178.31 177.13 1zfs h VAL 75 N 0.18 1.25 -0.58 1.41 2.07 -1.28 -2.59 116.25 116.71 1zfs h VAL 75 Ca 0.05 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1zfs h VAL 75 Cb -0.02 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.53 1zfs h VAL 75 CO -0.01 0.24 0.25 0.58 0.02 0.00 0.00 177.57 178.65 1zfs h VAL 76 N 1.33 1.22 0.18 2.57 2.07 -1.46 -1.80 116.25 120.37 1zfs h VAL 76 Ca 0.36 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1zfs h VAL 76 Cb -0.15 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1zfs h VAL 76 CO -0.08 0.26 -0.09 0.25 0.02 0.00 0.00 177.57 177.94 1zfs h LEU 77 N 0.80 -0.21 -0.85 2.57 7.12 -1.45 -3.14 115.31 120.16 1zfs h LEU 77 Ca 0.20 -0.13 -0.10 0.00 0.13 0.00 0.00 57.88 57.98 1zfs h LEU 77 Cb 0.17 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 1zfs h LEU 77 CO -0.02 0.31 -0.50 -0.37 -0.13 0.00 0.00 178.44 177.74 1zfs h VAL 78 N -1.03 1.17 -0.05 1.05 -1.51 -1.59 -2.60 116.25 111.69 1zfs h VAL 78 Ca -0.03 -1.82 -0.03 0.00 -1.23 0.00 0.00 66.70 63.59 1zfs h VAL 78 Cb 0.32 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1zfs h VAL 78 CO 0.04 0.49 -0.11 0.00 -1.23 0.00 0.00 177.57 176.76 1zfs h ALA 79 N 1.50 0.07 -0.74 5.19 0.00 -1.48 -2.90 119.26 120.90 1zfs h ALA 79 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1zfs h ALA 79 Cb 0.99 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1zfs h ALA 79 CO 0.06 -0.05 0.35 0.00 0.00 0.00 0.00 179.25 179.61 1zfs h ALA 80 N 0.45 1.21 -0.16 0.00 0.00 -1.58 -2.70 119.26 116.49 1zfs h ALA 80 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1zfs h ALA 80 Cb 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1zfs h ALA 80 CO 0.02 0.60 0.10 1.25 0.00 0.00 0.00 179.25 181.23 1zfs h LEU 81 N 1.06 0.18 -1.00 0.00 5.85 -1.46 -2.35 115.31 117.57 1zfs h LEU 81 Ca 0.26 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1zfs h LEU 81 Cb 0.12 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1zfs h LEU 81 CO -0.03 0.13 0.67 0.74 -0.34 0.00 0.00 178.44 179.61 1zfs h THR 82 N 0.21 1.26 -0.63 1.05 2.02 -1.32 -2.52 112.91 112.98 1zfs h THR 82 Ca 0.06 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.78 1zfs h THR 82 Cb -0.02 -0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.13 1zfs h THR 82 CO -0.01 0.25 0.42 0.58 0.37 0.00 0.00 175.52 177.12 1zfs h VAL 83 N 1.36 1.16 -0.85 3.16 2.07 -1.15 -2.50 116.25 119.49 1zfs h VAL 83 Ca 0.37 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1zfs h VAL 83 Cb -0.15 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 1zfs h VAL 83 CO -0.08 0.16 0.56 0.00 0.02 0.00 0.00 177.57 178.23 1zfs h ALA 84 N 1.23 1.39 -1.00 1.67 0.00 -1.00 -2.31 119.26 119.24 1zfs h ALA 84 Ca 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zfs h ALA 84 Cb -0.10 -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 0.66 0.00 0.00 0.00 0.00 179.25 180.42 1zfs h ASN 86 N 1.35 1.15 -0.26 0.00 -0.73 -1.34 -2.13 115.58 113.63 1zfs h ASN 86 Ca 0.36 -0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.40 1zfs h ASN 86 Cb -0.15 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.14 1zfs h ASN 86 CO -0.08 0.84 -0.18 -1.13 -0.37 0.00 0.00 177.43 176.51 1zfs h ASN 87 N 1.36 0.71 -1.01 1.15 -0.73 -1.34 -1.55 115.58 114.17 1zfs h ASN 87 Ca 0.37 -0.23 0.01 0.00 1.87 0.00 0.00 56.30 58.31 1zfs h ASN 87 Cb -0.15 -0.19 -0.05 0.00 0.27 0.00 0.00 38.32 38.19 1zfs h ASN 87 CO -0.08 0.90 0.67 -0.26 -0.37 0.00 0.00 177.43 178.28 1zfs h PHE 88 N 0.63 1.27 0.00 0.67 -1.00 -0.90 -2.26 116.94 115.35 1zfs h PHE 88 Ca 0.10 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1zfs h PHE 88 Cb 0.66 -0.43 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1zfs h PHE 88 CO 0.03 0.80 -0.50 0.74 -1.61 0.00 0.00 178.31 177.78 1zfs h PHE 89 N 1.37 0.00 -0.52 -0.55 0.04 -1.33 -3.32 116.94 112.63 1zfs h PHE 89 Ca 0.37 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.04 1zfs h PHE 89 Cb -0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1zfs h PHE 89 CO 0.00 0.00 -0.05 2.35 -0.60 0.00 0.00 178.31 180.01 1zfs h TRP 90 N 0.00 1.05 0.00 -0.55 7.01 -0.68 -2.61 115.95 120.18 1zfs h TRP 90 Ca 0.00 -0.20 -0.05 0.00 2.11 0.00 0.00 58.89 60.74 1zfs h TRP 90 Cb 0.99 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 1zfs h TRP 90 CO 0.00 0.98 -0.25 1.05 -2.79 0.00 0.00 178.44 177.43 1zfs h GLU 91 N 0.82 0.00 -1.01 2.65 4.11 -1.62 -2.90 114.58 116.63 1zfs h GLU 91 Ca 0.14 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.58 1zfs h GLU 91 Cb 0.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 1zfs h GLU 91 CO 0.04 0.25 0.67 -0.97 0.07 0.00 0.00 179.01 179.07 1zfs h ASN 92 N 0.00 1.15 0.00 3.06 -0.00 -1.56 -3.53 115.58 114.71 1zfs h ASN 92 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1zfs h ASN 92 Cb 0.71 -0.29 0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1zfs h ASN 92 CO 0.03 0.83 0.00 -0.24 -0.00 0.00 0.00 177.43 178.05