#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 4.82 0.04 1.61 7.64 -1.26 -4.61 113.62 121.86 1zfs n SER 2 Ca 0.00 -2.96 -0.12 0.00 1.01 0.00 0.00 58.87 56.80 1zfs n SER 2 Cb 0.00 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 62.52 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 2.93 0.01 -0.25 1.43 5.08 -2.05 2.00 114.58 123.72 1zfs h GLU 3 Ca 0.00 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1zfs h GLU 3 Cb 1.71 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1zfs h GLU 3 CO 0.36 0.01 -0.62 1.25 -1.00 0.00 0.00 179.01 179.00 1zfs h LEU 4 N 0.01 0.98 -0.84 1.33 6.46 -2.01 -2.56 115.31 118.68 1zfs h LEU 4 Ca 0.00 -0.56 -0.04 0.00 -0.12 0.00 0.00 57.88 57.17 1zfs h LEU 4 Cb -0.00 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 1zfs h LEU 4 CO -0.00 1.36 0.37 -0.08 -0.62 0.00 0.00 178.44 179.47 1zfs h GLU 5 N 0.64 1.22 0.00 1.25 4.81 -1.74 0.72 114.58 121.48 1zfs h GLU 5 Ca -0.01 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1zfs h GLU 5 Cb 1.24 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1zfs h GLU 5 CO 0.13 0.96 -0.03 1.15 -0.73 0.00 0.00 179.01 180.49 1zfs h THR 6 N 1.20 0.27 -0.35 0.32 2.02 0.34 -1.66 112.91 115.04 1zfs h THR 6 Ca 0.28 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 67.14 1zfs h THR 6 Cb 0.16 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1zfs h THR 6 CO -0.03 0.03 -0.27 0.00 0.37 0.00 0.00 175.52 175.62 1zfs h ALA 7 N 1.97 0.86 0.10 6.16 0.00 -0.43 -2.09 119.26 125.83 1zfs h ALA 7 Ca -0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 1zfs h ALA 7 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1zfs h ALA 7 CO 0.00 0.63 -1.25 0.52 0.00 0.00 0.00 179.25 179.16 1zfs h MET 8 N 0.62 0.20 -0.01 0.00 2.07 -1.26 -3.11 114.93 113.44 1zfs h MET 8 Ca 0.08 -0.35 -0.12 0.00 -2.07 0.00 0.00 59.70 57.24 1zfs h MET 8 Cb 0.78 0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.63 1zfs h MET 8 CO 0.06 1.14 -0.56 1.05 1.07 0.00 0.00 176.91 179.68 1zfs h GLU 9 N 0.06 0.02 0.00 1.72 -0.00 -1.42 -2.74 114.58 112.22 1zfs h GLU 9 Ca -0.13 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.21 1zfs h GLU 9 Cb 1.94 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.69 1zfs h GLU 9 CO 0.18 0.57 -0.01 0.00 -0.00 0.00 0.00 179.01 179.75 1zfs h THR 10 N 0.02 1.49 0.00 -1.06 1.03 -1.45 -2.70 112.91 110.23 1zfs h THR 10 Ca -0.00 -2.12 -0.03 0.00 -0.01 0.00 0.00 66.41 64.25 1zfs h THR 10 Cb 0.99 2.82 -0.00 0.00 -1.07 0.00 0.00 68.15 70.88 1zfs h THR 10 CO 0.07 0.50 -0.12 0.17 -0.01 0.00 0.00 175.52 176.14 1zfs h LEU 11 N -1.00 0.00 -0.51 0.00 8.10 -1.64 -1.69 115.31 118.57 1zfs h LEU 11 Ca -0.00 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.82 1zfs h LEU 11 Cb 0.83 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 1zfs h LEU 11 CO -0.00 0.12 -0.65 0.40 -4.11 0.00 0.00 178.44 174.20 1zfs h ILE 12 N 0.00 1.37 -0.18 0.15 2.04 -1.57 -1.98 117.51 117.35 1zfs h ILE 12 Ca -0.00 -2.02 -0.09 0.00 1.00 0.00 0.00 64.86 63.75 1zfs h ILE 12 Cb 0.23 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1zfs h ILE 12 CO 0.02 0.61 -0.23 -1.13 0.00 0.00 0.00 178.15 177.41 1zfs h ASN 13 N 0.27 0.51 0.22 1.72 -0.73 -0.97 -1.98 115.58 114.62 1zfs h ASN 13 Ca -0.01 -0.51 -0.11 0.00 1.87 0.00 0.00 56.30 57.53 1zfs h ASN 13 Cb 1.19 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.62 1zfs h ASN 13 CO 0.11 0.92 -0.43 -0.37 -0.37 0.00 0.00 177.43 177.28 1zfs h VAL 14 N 0.12 1.32 -0.87 2.57 -1.51 -1.52 -0.16 116.25 116.20 1zfs h VAL 14 Ca 0.02 -1.59 -0.03 0.00 -1.23 0.00 0.00 66.70 63.88 1zfs h VAL 14 Cb 0.80 1.71 -0.04 0.00 -2.13 0.00 0.00 31.29 31.63 1zfs h VAL 14 CO 0.06 0.48 0.44 0.15 -1.23 0.00 0.00 177.57 177.46 1zfs h PHE 15 N 0.23 1.23 0.00 5.19 3.04 -1.24 -1.71 116.94 123.68 1zfs h PHE 15 Ca 0.02 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1zfs h PHE 15 Cb 0.86 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1zfs h PHE 15 CO 0.02 0.87 -0.45 1.58 -2.02 0.00 0.00 178.31 178.31 1zfs n HIS 16 N -4.31 0.01 0.04 0.41 -0.00 -0.75 -1.84 115.22 108.77 1zfs n HIS 16 Ca 0.09 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.07 1zfs n HIS 16 Cb 0.12 -0.28 -0.10 0.00 -0.12 0.00 0.00 29.99 29.60 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 2.99 0.13 0.00 1.57 0.00 -0.12 -3.32 119.26 120.51 1zfs h ALA 17 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 54.91 53.96 1zfs h ALA 17 Cb 0.50 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1zfs h ALA 17 CO 0.00 0.69 -2.14 0.72 0.00 0.00 0.00 179.25 178.52 1zfs n HIS 18 N -3.86 0.00 -0.36 0.00 8.25 -0.97 -4.17 115.22 114.12 1zfs n HIS 18 Ca -0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.32 1zfs n HIS 18 Cb 0.88 -0.78 0.10 0.00 1.12 0.00 0.00 29.99 31.31 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 1.14 -0.35 0.41 0.02 -1.52 -2.15 113.55 111.10 1zfs h SER 19 Ca -0.38 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1zfs h SER 19 Cb 1.83 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1zfs h SER 19 CO 0.02 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 1zfs n GLY 20 N -1.25 1.14 0.14 -3.77 0.00 -1.25 -3.49 105.19 96.71 1zfs n GLY 20 Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 3.26 0.00 -0.02 1.61 1.63 -1.55 -2.90 116.57 118.62 1zfs h LYS 21 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1zfs h LYS 21 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1zfs h LYS 21 CO 0.00 0.62 -0.13 0.39 -3.45 0.00 0.00 179.45 176.87 1zfs n GLU 22 N -3.77 1.47 -0.17 1.90 -0.58 -1.25 -4.91 120.64 113.32 1zfs n GLU 22 Ca -0.01 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 1zfs n GLU 22 Cb 0.62 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zfs n GLY 23 N 1.28 1.73 1.91 0.62 0.00 -1.09 -4.87 105.19 104.77 1zfs n GLY 23 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 6.10 0.23 1.61 8.00 -1.26 -4.53 116.55 126.70 1zfs n ASP 24 Ca 0.00 -3.12 0.15 0.00 0.71 0.00 0.00 54.79 52.53 1zfs n ASP 24 Cb 0.00 -0.99 0.79 0.00 -0.02 0.00 0.00 41.12 40.91 1zfs n ASP 24 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1zfs h LYS 25 N 1.38 0.00 0.00 -1.24 2.10 -1.86 -0.54 116.57 116.41 1zfs h LYS 25 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 1zfs h LYS 25 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1zfs h LYS 25 CO 0.83 0.00 0.00 -0.92 -2.00 0.00 0.00 179.45 177.36 1zfs h TYR 26 N 0.00 0.00 -2.68 0.07 3.20 -1.89 -3.45 116.97 112.21 1zfs h TYR 26 Ca 0.00 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1zfs h TYR 26 Cb 0.12 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 1zfs h TYR 26 CO 0.00 0.00 0.35 -1.59 -1.64 0.00 0.00 178.16 175.28 1zfs s LYS 27 N -3.78 1.50 0.66 1.82 -2.85 -0.21 -5.02 119.74 111.86 1zfs s LYS 27 Ca -0.01 -0.82 -0.11 0.00 -1.00 0.00 0.00 55.97 54.03 1zfs s LYS 27 Cb 0.10 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.37 1zfs s LYS 27 CO 0.48 -0.69 1.06 -1.17 0.10 0.00 0.00 175.35 175.13 1zfs s LEU 28 N -2.93 3.09 0.18 2.77 2.96 0.14 -4.81 118.68 120.10 1zfs s LEU 28 Ca 0.11 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.43 1zfs s LEU 28 Cb -0.04 -4.31 -0.05 0.00 0.50 0.00 0.00 46.19 42.30 1zfs s LEU 28 CO 0.04 -1.15 -0.04 -0.44 -1.32 0.00 0.00 176.35 173.45 1zfs s SER 29 N -4.14 1.64 0.24 3.68 0.01 -1.26 -1.44 113.70 112.43 1zfs s SER 29 Ca 0.57 -1.13 -0.06 0.00 1.31 0.00 0.00 55.95 56.63 1zfs s SER 29 Cb -0.12 0.03 0.26 0.00 0.21 0.00 0.00 66.02 66.41 1zfs s SER 29 CO 0.54 -0.47 1.91 0.50 0.41 0.00 0.00 173.24 176.13 1zfs h LYS 30 N 2.65 1.23 -0.01 12.44 3.11 -1.93 -2.26 116.57 131.80 1zfs h LYS 30 Ca -0.37 -0.07 -0.17 0.00 -2.81 0.00 0.00 60.65 57.23 1zfs h LYS 30 Cb 1.21 -0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 32.14 1zfs h LYS 30 CO 0.64 0.82 -0.76 -0.22 -2.81 0.00 0.00 179.45 177.12 1zfs h LYS 31 N 1.27 0.11 -0.29 1.90 1.63 -1.97 -3.01 116.57 116.21 1zfs h LYS 31 Ca 0.36 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 60.01 1zfs h LYS 31 Cb -0.10 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1zfs h LYS 31 CO -0.09 0.81 -0.03 0.93 -3.45 0.00 0.00 179.45 177.62 1zfs h GLU 32 N 0.07 0.54 -0.00 1.90 5.08 -1.75 -2.90 114.58 117.51 1zfs h GLU 32 Ca -0.02 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 1zfs h GLU 32 Cb 1.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1zfs h GLU 32 CO 0.11 0.71 -0.50 1.37 -1.00 0.00 0.00 179.01 179.70 1zfs h LEU 33 N 0.31 0.00 -1.00 1.33 8.10 -1.49 -2.88 115.31 119.69 1zfs h LEU 33 Ca 0.08 -0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.08 1zfs h LEU 33 Cb 0.49 -0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.66 1zfs h LEU 33 CO 0.02 0.50 0.66 0.50 -4.11 0.00 0.00 178.44 176.01 1zfs h LYS 34 N 0.00 1.30 -0.44 0.17 1.63 -1.38 -2.59 116.57 115.27 1zfs h LYS 34 Ca -0.00 -0.08 -0.15 0.00 -0.85 0.00 0.00 60.65 59.57 1zfs h LYS 34 Cb 0.88 -0.29 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1zfs h LYS 34 CO 0.06 0.86 -0.29 -0.44 -3.45 0.00 0.00 179.45 176.19 1zfs h ASP 35 N 1.34 1.02 -0.49 4.20 3.32 -1.32 -2.85 116.42 121.64 1zfs h ASP 35 Ca 0.37 -0.43 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1zfs h ASP 35 Cb -0.13 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.12 1zfs h ASP 35 CO -0.09 1.23 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.43 1zfs h LEU 36 N 0.82 0.99 -0.04 1.55 3.38 -1.43 -1.45 115.31 119.13 1zfs h LEU 36 Ca 0.09 -0.38 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 1zfs h LEU 36 Cb 0.88 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1zfs h LEU 36 CO 0.08 1.14 -0.63 -0.07 0.09 0.00 0.00 178.44 179.05 1zfs h LEU 37 N 0.83 0.63 -1.37 1.67 3.38 -1.52 -3.00 115.31 115.92 1zfs h LEU 37 Ca 0.12 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1zfs h LEU 37 Cb 0.73 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1zfs h LEU 37 CO 0.06 1.25 -0.23 0.06 0.09 0.00 0.00 178.44 179.67 1zfs h GLN 38 N 0.06 0.00 0.21 1.13 3.07 -1.55 0.79 115.11 118.83 1zfs h GLN 38 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1zfs h GLN 38 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1zfs h GLN 38 CO 0.13 0.23 -0.10 1.79 0.09 0.00 0.00 178.83 180.97 1zfs h THR 39 N 0.00 0.62 0.00 1.86 1.35 -1.24 -3.37 112.91 112.14 1zfs h THR 39 Ca -0.00 -1.01 -0.06 0.00 -0.55 0.00 0.00 66.41 64.79 1zfs h THR 39 Cb 0.63 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1zfs h THR 39 CO 0.03 0.16 -1.38 -0.62 -0.25 0.00 0.00 175.52 173.46 1zfs n GLU 40 N -4.96 1.47 -0.52 4.72 1.02 -1.14 -4.70 120.64 116.52 1zfs n GLU 40 Ca -0.07 -0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.09 1zfs n GLU 40 Cb 0.24 -1.17 0.25 0.00 -0.02 0.00 0.00 31.44 30.75 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 -1.97 4.02 -0.00 -4.62 4.32 0.47 -4.72 117.00 114.50 1zfs n LEU 41 Ca -0.06 -3.14 -0.11 0.00 -0.02 0.00 0.00 56.01 52.68 1zfs n LEU 41 Cb 0.43 -0.57 -0.05 0.00 -1.62 0.00 0.00 43.42 41.61 1zfs n LEU 41 CO 0.14 0.77 0.89 0.77 -1.22 0.00 0.00 177.39 178.74 1zfs h SER 42 N 1.70 0.04 -0.88 -1.43 4.64 0.28 -0.22 113.55 117.69 1zfs h SER 42 Ca 0.05 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1zfs h SER 42 Cb 1.52 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.58 1zfs h SER 42 CO 0.27 0.04 0.47 0.28 -0.87 0.00 0.00 176.83 177.02 1zfs h SER 43 N 0.08 1.11 0.00 4.97 0.02 -1.86 -3.29 113.55 114.58 1zfs h SER 43 Ca 0.04 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1zfs h SER 43 Cb 0.02 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1zfs h SER 43 CO -0.04 0.90 -0.00 -0.26 -1.14 0.00 0.00 176.83 176.29 1zfs h PHE 44 N 1.23 -0.00 -2.04 3.45 -1.00 -1.85 -3.40 116.94 113.32 1zfs h PHE 44 Ca 0.31 -0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.51 1zfs h PHE 44 Cb 0.05 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.51 1zfs h PHE 44 CO 0.01 -0.00 1.11 -0.51 -1.61 0.00 0.00 178.31 177.31 1zfs s LEU 45 N -4.02 3.52 0.33 1.54 1.02 -0.11 -4.97 118.68 115.99 1zfs s LEU 45 Ca -0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 54.13 52.97 1zfs s LEU 45 Cb 0.00 -2.54 -0.12 0.00 0.02 0.00 0.00 46.19 43.55 1zfs s LEU 45 CO 0.00 -1.65 1.39 0.47 0.02 0.00 0.00 176.35 176.58 1zfs n ASP 46 N 8.87 3.16 0.06 2.29 8.00 -1.24 -4.39 116.55 133.31 1zfs n ASP 46 Ca 0.12 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.82 1zfs n ASP 46 Cb 0.49 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 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 0.76 0.00 -0.26 2.53 3.14 -1.26 -4.87 118.33 118.37 1zfs n VAL 47 Ca 0.05 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.38 1zfs n VAL 47 Cb 0.36 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.20 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 0.94 -0.18 1.45 3.07 -1.90 -2.68 115.11 115.81 1zfs h GLN 48 Ca 0.00 -0.06 -0.21 0.00 0.09 0.00 0.00 58.65 58.47 1zfs h GLN 48 Cb 0.00 -0.21 0.01 0.00 0.08 0.00 0.00 27.48 27.36 1zfs h GLN 48 CO 0.00 0.62 -0.73 1.57 0.09 0.00 0.00 178.83 180.39 1zfs h LYS 49 N 0.96 0.78 -3.48 0.06 2.10 -1.96 -3.35 116.57 111.69 1zfs h LYS 49 Ca 0.26 -0.60 -0.79 0.00 -2.00 0.00 0.00 60.65 57.52 1zfs h LYS 49 Cb -0.11 0.11 -0.29 0.00 -0.90 0.00 0.00 32.23 31.05 1zfs h LYS 49 CO -0.06 1.22 0.41 -0.25 -2.00 0.00 0.00 179.45 178.77 1zfs n ASP 50 N -3.94 5.41 0.29 7.07 8.00 -1.02 -4.83 116.55 127.54 1zfs n ASP 50 Ca -0.06 -3.08 0.19 0.00 0.71 0.00 0.00 54.79 52.54 1zfs n ASP 50 Cb 0.72 -1.33 0.97 0.00 -0.02 0.00 0.00 41.12 41.46 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 6.46 1.39 0.00 2.24 0.00 -1.69 0.91 119.26 128.57 1zfs h ALA 51 Ca 0.18 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1zfs h ALA 51 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1zfs h ALA 51 CO 1.02 -0.19 -0.36 0.38 0.00 0.00 0.00 179.25 180.10 1zfs h ASP 52 N 0.00 0.00 -0.17 0.00 2.03 -1.88 -2.88 116.42 113.52 1zfs h ASP 52 Ca 0.03 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.27 1zfs h ASP 52 Cb 0.34 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.83 1zfs h ASP 52 CO -0.00 0.36 -0.08 0.00 -1.03 0.00 0.00 179.24 178.49 1zfs h ALA 53 N 1.64 1.28 0.00 4.15 0.00 0.57 -2.33 119.26 124.56 1zfs h ALA 53 Ca -0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1zfs h ALA 53 Cb 0.92 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1zfs h ALA 53 CO 0.05 0.48 -0.84 -0.24 0.00 0.00 0.00 179.25 178.70 1zfs h VAL 54 N 0.48 1.60 -0.66 0.00 3.04 -1.50 -2.30 116.25 116.91 1zfs h VAL 54 Ca 0.09 -2.86 -0.08 0.00 -1.01 0.00 0.00 66.70 62.84 1zfs h VAL 54 Cb 0.44 2.55 -0.03 0.00 -2.01 0.00 0.00 31.29 32.24 1zfs h VAL 54 CO 0.02 0.82 0.09 -0.78 -1.01 0.00 0.00 177.57 176.71 1zfs h ASP 55 N 0.00 1.06 -0.37 3.17 1.82 -1.36 -2.46 116.42 118.29 1zfs h ASP 55 Ca -0.01 -0.27 -0.17 0.00 -0.39 0.00 0.00 57.03 56.20 1zfs h ASP 55 Cb 1.48 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 1zfs h ASP 55 CO 0.11 1.06 -0.42 0.11 -1.61 0.00 0.00 179.24 178.50 1zfs h LYS 56 N 1.02 0.93 -0.92 0.28 1.57 -1.43 -1.88 116.57 116.15 1zfs h LYS 56 Ca 0.20 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1zfs h LYS 56 Cb 0.46 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1zfs h LYS 56 CO 0.02 1.16 0.52 0.97 -0.57 0.00 0.00 179.45 181.55 1zfs h ILE 57 N 0.75 1.26 0.00 1.86 6.09 -1.22 -2.51 117.51 123.74 1zfs h ILE 57 Ca 0.05 -0.61 -0.16 0.00 -1.37 0.00 0.00 64.86 62.77 1zfs h ILE 57 Cb 1.02 -0.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.28 1zfs h ILE 57 CO 0.10 0.29 -0.84 0.00 -3.07 0.00 0.00 178.15 174.63 1zfs h MET 58 N 1.28 0.00 -0.80 2.19 -0.00 -1.43 -3.33 114.93 112.84 1zfs h MET 58 Ca 0.33 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 60.07 1zfs h MET 58 Cb -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.54 1zfs h MET 58 CO -0.06 0.64 0.50 -0.22 -0.00 0.00 0.00 176.91 177.77 1zfs h LYS 59 N 0.00 0.93 -0.93 -0.10 3.64 -0.88 2.74 116.57 121.97 1zfs h LYS 59 Ca -0.04 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1zfs h LYS 59 Cb 1.57 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1zfs h LYS 59 CO 0.08 0.62 0.54 0.93 -2.27 0.00 0.00 179.45 179.35 1zfs h GLU 60 N 0.96 1.28 0.00 1.90 5.08 -1.64 -1.79 114.58 120.36 1zfs h GLU 60 Ca 0.33 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1zfs h GLU 60 Cb 0.06 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1zfs h GLU 60 CO -0.13 0.91 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.71 1zfs h LEU 61 N 1.29 0.00 -3.50 1.33 4.07 -1.21 -3.34 115.31 113.95 1zfs h LEU 61 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1zfs h LEU 61 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1zfs h LEU 61 CO -0.06 0.02 0.00 0.47 -1.08 0.00 0.00 178.44 177.79 1zfs n ASP 62 N -2.19 1.99 0.00 -0.43 8.00 0.90 -4.15 116.55 120.68 1zfs n ASP 62 Ca -0.00 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.01 1zfs n ASP 62 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1zfs n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1zfs n GLU 63 N 1.74 0.00 0.00 -1.24 0.28 -0.67 0.70 120.64 121.44 1zfs n GLU 63 Ca 0.00 0.39 0.14 0.00 -0.16 0.00 0.00 57.16 57.53 1zfs n GLU 63 Cb 0.19 -1.54 0.57 0.00 1.43 0.00 0.00 31.44 32.09 1zfs n GLU 63 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1zfs n ASN 64 N -1.38 0.80 -1.56 -1.84 5.03 -1.26 -4.90 115.26 110.16 1zfs n ASN 64 Ca 0.00 -0.93 -0.14 0.00 0.87 0.00 0.00 54.58 54.38 1zfs n ASN 64 Cb 0.04 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zfs n GLY 65 N 1.24 0.01 0.31 7.41 0.00 0.22 -4.86 105.19 109.51 1zfs n GLY 65 Ca 0.16 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.68 1.09 0.00 1.61 5.75 -1.26 -4.88 116.55 118.18 1zfs n ASP 66 Ca -0.17 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1zfs n ASP 66 Cb 0.61 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 1.24 0.00 2.91 6.12 0.00 -1.26 -4.84 105.19 109.36 1zfs n GLY 67 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.93 1.18 0.04 1.61 2.02 -1.26 -3.17 118.70 118.18 1zfs s GLU 68 Ca 0.00 -0.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 1zfs s GLU 68 Cb 0.00 -1.18 -0.06 0.00 0.10 0.00 0.00 34.13 32.99 1zfs s GLU 68 CO 0.00 -0.14 0.40 0.08 0.02 0.00 0.00 175.26 175.62 1zfs s VAL 69 N 1.22 5.08 0.09 2.63 1.01 -0.52 -4.83 120.40 125.09 1zfs s VAL 69 Ca -0.05 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 1zfs s VAL 69 Cb -0.14 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1zfs s VAL 69 CO -0.02 0.41 1.67 -0.78 0.00 0.00 0.00 175.10 176.38 1zfs h ASP 70 N 4.14 0.20 0.00 3.32 1.82 -1.95 0.44 116.42 124.39 1zfs h ASP 70 Ca -0.50 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 1zfs h ASP 70 Cb 1.20 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1zfs h ASP 70 CO 0.64 0.25 0.00 0.33 -1.61 0.00 0.00 179.24 178.85 1zfs n PHE 71 N -4.91 0.00 -0.06 0.28 7.35 -1.26 -2.89 117.46 115.97 1zfs n PHE 71 Ca -0.04 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.67 1zfs n PHE 71 Cb 0.09 0.00 0.36 0.00 0.35 0.00 0.00 39.48 40.28 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 0.67 -0.74 -4.13 4.20 -2.01 -1.72 115.11 111.38 1zfs h GLN 72 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1zfs h GLN 72 Cb 0.00 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 1zfs h GLN 72 CO 0.00 0.46 0.47 0.93 -0.67 0.00 0.00 178.83 180.02 1zfs h GLU 73 N 0.69 0.99 -0.03 1.46 5.08 -1.96 -2.96 114.58 117.85 1zfs h GLU 73 Ca 0.18 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1zfs h GLU 73 Cb -0.05 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1zfs h GLU 73 CO -0.04 0.67 -0.00 0.35 -1.00 0.00 0.00 179.01 178.99 1zfs h PHE 74 N 1.01 0.06 -0.98 4.33 3.57 -1.72 -3.08 116.94 120.14 1zfs h PHE 74 Ca 0.27 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1zfs h PHE 74 Cb -0.09 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1zfs h PHE 74 CO -0.02 0.38 0.63 -0.24 -2.23 0.00 0.00 178.31 176.83 1zfs h VAL 75 N -0.27 1.26 -0.43 1.41 3.04 -1.43 -2.84 116.25 116.98 1zfs h VAL 75 Ca 0.01 -0.49 -0.13 0.00 -1.01 0.00 0.00 66.70 65.08 1zfs h VAL 75 Cb 0.35 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.45 1zfs h VAL 75 CO 0.00 0.25 -0.25 0.58 -1.01 0.00 0.00 177.57 177.15 1zfs h VAL 76 N 1.33 1.27 0.28 1.51 2.07 -1.58 -1.32 116.25 119.82 1zfs h VAL 76 Ca 0.36 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1zfs h VAL 76 Cb -0.13 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1zfs h VAL 76 CO -0.07 0.48 -0.14 0.25 0.02 0.00 0.00 177.57 178.11 1zfs h LEU 77 N 0.75 -0.32 -0.45 2.57 5.85 -1.41 -2.68 115.31 119.62 1zfs h LEU 77 Ca 0.09 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1zfs h LEU 77 Cb 0.82 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1zfs h LEU 77 CO 0.07 -0.18 -0.03 -0.37 -0.34 0.00 0.00 178.44 177.59 1zfs h VAL 78 N -0.44 0.06 0.29 1.05 -1.51 -1.59 -3.11 116.25 111.00 1zfs h VAL 78 Ca -0.04 -0.92 -0.01 0.00 -1.23 0.00 0.00 66.70 64.49 1zfs h VAL 78 Cb 0.33 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1zfs h VAL 78 CO 0.06 0.03 -0.14 0.00 -1.23 0.00 0.00 177.57 176.29 1zfs h ALA 79 N 1.97 -0.39 -0.49 5.19 0.00 -1.05 -2.44 119.26 122.05 1zfs h ALA 79 Ca -0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1zfs h ALA 79 Cb 0.87 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1zfs h ALA 79 CO 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 179.25 178.55 1zfs h ALA 80 N -0.41 0.68 -0.71 0.00 0.00 -1.59 -2.61 119.26 114.62 1zfs h ALA 80 Ca -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1zfs h ALA 80 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1zfs h ALA 80 CO 0.07 0.68 0.29 -0.07 0.00 0.00 0.00 179.25 180.21 1zfs h LEU 81 N 0.87 0.98 -0.89 0.00 -0.00 -1.64 -2.26 115.31 112.36 1zfs h LEU 81 Ca 0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1zfs h LEU 81 Cb 0.81 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 1zfs h LEU 81 CO 0.07 0.88 0.52 0.74 -0.00 0.00 0.00 178.44 180.65 1zfs h THR 82 N 1.01 1.25 -0.96 0.22 2.02 -1.34 -2.18 112.91 112.92 1zfs h THR 82 Ca 0.24 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1zfs h THR 82 Cb 0.21 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.58 1zfs h THR 82 CO -0.02 0.27 0.64 0.58 0.37 0.00 0.00 175.52 177.36 1zfs h VAL 83 N 1.23 1.24 -1.01 3.16 2.07 -1.04 -2.32 116.25 119.59 1zfs h VAL 83 Ca 0.32 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1zfs h VAL 83 Cb -0.02 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.53 1zfs h VAL 83 CO -0.06 0.24 0.67 0.00 0.02 0.00 0.00 177.57 178.43 1zfs h ALA 84 N 1.36 1.29 -0.96 1.67 0.00 -0.85 -2.05 119.26 119.72 1zfs h ALA 84 Ca 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1zfs h ALA 84 Cb -0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.21 1zfs h ALA 84 CO -0.08 0.64 0.63 0.00 0.00 0.00 0.00 179.25 180.44 1zfs h ASN 86 N 1.28 1.11 -0.50 0.00 -1.24 -1.30 -1.75 115.58 113.18 1zfs h ASN 86 Ca 0.36 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.31 1zfs h ASN 86 Cb -0.11 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.63 1zfs h ASN 86 CO -0.09 0.80 0.20 0.78 -1.29 0.00 0.00 177.43 177.84 1zfs h ASN 87 N 1.31 0.73 -0.95 1.15 2.35 -1.14 -2.55 115.58 116.48 1zfs h ASN 87 Ca 0.36 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1zfs h ASN 87 Cb -0.14 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.00 1zfs h ASN 87 CO -0.08 0.67 0.63 -0.26 -1.65 0.00 0.00 177.43 176.73 1zfs h PHE 88 N 0.78 1.19 0.00 1.19 -1.00 -0.98 -0.92 116.94 117.20 1zfs h PHE 88 Ca 0.19 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.90 1zfs h PHE 88 Cb 0.18 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 1zfs h PHE 88 CO 0.01 0.75 -0.46 0.74 -1.61 0.00 0.00 178.31 177.74 1zfs h PHE 89 N 1.28 0.00 -0.57 -0.55 0.04 -1.39 -3.00 116.94 112.75 1zfs h PHE 89 Ca 0.35 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.08 1zfs h PHE 89 Cb -0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1zfs h PHE 89 CO -0.01 0.46 0.20 2.35 -0.60 0.00 0.00 178.31 180.71 1zfs h TRP 90 N 0.00 0.89 -0.94 -0.55 2.91 -0.83 -2.03 115.95 115.40 1zfs h TRP 90 Ca -0.00 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 1zfs h TRP 90 Cb 0.86 -0.26 -0.05 0.00 -0.51 0.00 0.00 29.16 29.20 1zfs h TRP 90 CO 0.00 0.74 0.55 0.93 -1.03 0.00 0.00 178.44 179.64 1zfs h GLU 91 N 0.79 1.29 -0.98 2.65 5.08 -1.30 -1.56 114.58 120.54 1zfs h GLU 91 Ca 0.19 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1zfs h GLU 91 Cb 0.25 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1zfs h GLU 91 CO -0.01 0.91 0.65 -0.91 -1.00 0.00 0.00 179.01 178.65 1zfs h ASN 92 N 1.30 1.13 0.00 1.42 2.35 -1.41 -3.52 115.58 116.85 1zfs h ASN 92 Ca 0.34 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1zfs h ASN 92 Cb -0.04 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1zfs h ASN 92 CO -0.06 0.82 0.00 -0.24 -1.65 0.00 0.00 177.43 176.30