#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 0.00 -0.08 1.61 7.64 -1.26 -4.80 113.62 116.73 1zfs n SER 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1zfs n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1zfs n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1zfs n GLU 3 N -0.15 0.47 -0.36 1.43 1.02 -1.26 -3.87 120.64 117.92 1zfs n GLU 3 Ca 0.00 0.19 -0.03 0.00 -0.02 0.00 0.00 57.16 57.30 1zfs n GLU 3 Cb 0.00 -1.31 0.10 0.00 -0.02 0.00 0.00 31.44 30.21 1zfs n GLU 3 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1zfs h LEU 4 N -0.86 1.13 -0.90 -4.62 5.85 -2.00 -0.51 115.31 113.39 1zfs h LEU 4 Ca -0.12 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1zfs h LEU 4 Cb 1.00 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1zfs h LEU 4 CO -0.07 0.84 0.17 -0.08 -0.34 0.00 0.00 178.44 178.95 1zfs h GLU 5 N 1.32 0.98 0.00 1.25 4.81 -1.91 0.11 114.58 121.14 1zfs h GLU 5 Ca 0.35 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1zfs h GLU 5 Cb -0.11 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 1zfs h GLU 5 CO -0.07 0.86 -0.01 1.15 -0.73 0.00 0.00 179.01 180.20 1zfs h THR 6 N 0.94 0.13 -0.26 0.32 2.02 -1.25 -1.19 112.91 113.63 1zfs h THR 6 Ca 0.20 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 1zfs h THR 6 Cb 0.31 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1zfs h THR 6 CO -0.00 0.01 -0.39 0.00 0.37 0.00 0.00 175.52 175.51 1zfs h ALA 7 N 1.99 0.85 -0.04 6.16 0.00 0.32 -2.15 119.26 126.38 1zfs h ALA 7 Ca -0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1zfs h ALA 7 Cb 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1zfs h ALA 7 CO 0.00 0.64 -0.98 0.52 0.00 0.00 0.00 179.25 179.44 1zfs h MET 8 N 0.49 0.73 -0.24 0.00 2.07 -1.18 -3.15 114.93 113.66 1zfs h MET 8 Ca 0.04 -0.73 -0.11 0.00 -2.07 0.00 0.00 59.70 56.83 1zfs h MET 8 Cb 0.89 0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.80 1zfs h MET 8 CO 0.08 1.31 -0.33 0.93 1.07 0.00 0.00 176.91 179.97 1zfs h GLU 9 N 0.44 0.51 -0.03 1.72 4.39 -1.47 -2.47 114.58 117.67 1zfs h GLU 9 Ca -0.11 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 1zfs h GLU 9 Cb 1.62 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 1zfs h GLU 9 CO 0.19 0.77 -0.21 0.00 -1.16 0.00 0.00 179.01 178.61 1zfs h THR 10 N 0.43 1.49 0.00 1.13 1.03 -1.46 -2.33 112.91 113.21 1zfs h THR 10 Ca 0.05 -1.75 -0.09 0.00 -0.01 0.00 0.00 66.41 64.61 1zfs h THR 10 Cb 0.79 2.55 -0.01 0.00 -1.07 0.00 0.00 68.15 70.40 1zfs h THR 10 CO 0.06 0.48 -0.42 0.17 -0.01 0.00 0.00 175.52 175.80 1zfs h LEU 11 N -0.41 0.00 -0.25 0.00 8.10 -1.61 -2.43 115.31 118.71 1zfs h LEU 11 Ca -0.02 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.76 1zfs h LEU 11 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.12 1zfs h LEU 11 CO 0.04 0.42 -0.86 0.40 -4.11 0.00 0.00 178.44 174.33 1zfs h ILE 12 N 0.00 1.39 -0.15 0.15 2.04 -1.49 -1.36 117.51 118.10 1zfs h ILE 12 Ca -0.00 -2.32 -0.22 0.00 1.00 0.00 0.00 64.86 63.31 1zfs h ILE 12 Cb 0.92 2.29 0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1zfs h ILE 12 CO 0.05 0.70 -0.79 -1.13 0.00 0.00 0.00 178.15 176.99 1zfs h ASN 13 N 0.26 0.94 0.21 1.72 -1.24 -1.33 -2.38 115.58 113.77 1zfs h ASN 13 Ca -0.06 -0.63 -0.12 0.00 0.71 0.00 0.00 56.30 56.19 1zfs h ASN 13 Cb 1.47 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.23 1zfs h ASN 13 CO 0.15 1.43 -0.46 0.58 -1.29 0.00 0.00 177.43 177.83 1zfs h VAL 14 N 0.53 1.33 -0.74 2.57 2.07 -1.50 0.12 116.25 120.62 1zfs h VAL 14 Ca -0.06 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1zfs h VAL 14 Cb 1.42 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 1zfs h VAL 14 CO 0.16 0.50 0.48 0.15 0.02 0.00 0.00 177.57 178.89 1zfs h PHE 15 N 0.25 0.95 -0.00 1.57 3.57 -1.10 -0.47 116.94 121.71 1zfs h PHE 15 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1zfs h PHE 15 Cb 0.92 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1zfs h PHE 15 CO 0.02 0.61 -0.24 1.58 -2.23 0.00 0.00 178.31 178.05 1zfs n HIS 16 N -4.55 0.00 0.06 0.41 -0.00 -0.91 -1.85 115.22 108.38 1zfs n HIS 16 Ca 0.07 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.13 1zfs n HIS 16 Cb 0.03 -0.32 -0.13 0.00 -0.12 0.00 0.00 29.99 29.44 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 3.15 0.34 0.00 1.57 0.00 0.89 -3.37 119.26 121.84 1zfs h ALA 17 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 54.91 53.70 1zfs h ALA 17 Cb 0.47 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1zfs h ALA 17 CO 0.00 1.22 -1.60 1.58 0.00 0.00 0.00 179.25 180.45 1zfs n HIS 18 N -3.37 0.00 -0.08 0.00 -0.00 -0.87 -4.31 115.22 106.59 1zfs n HIS 18 Ca -0.09 0.00 0.23 0.00 -0.00 0.00 0.00 57.72 57.86 1zfs n HIS 18 Cb 1.00 -0.41 0.69 0.00 -0.00 0.00 0.00 29.99 31.28 1zfs n HIS 18 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1zfs h SER 19 N 0.00 0.03 -0.55 0.26 0.02 -1.57 0.29 113.55 112.02 1zfs h SER 19 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1zfs h SER 19 Cb 1.41 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1zfs h SER 19 CO -0.02 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 1zfs n GLY 20 N -1.66 2.85 0.12 -3.77 0.00 -1.26 -4.25 105.19 97.21 1zfs n GLY 20 Ca 0.14 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 3.38 0.00 -0.01 1.61 3.64 -0.61 -3.35 116.57 121.23 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 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1zfs h LYS 21 CO 0.12 0.00 -0.28 0.39 -2.27 0.00 0.00 179.45 177.41 1zfs n GLU 22 N -2.69 2.49 0.00 1.90 1.02 -1.24 -5.11 120.64 117.01 1zfs n GLU 22 Ca -0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 1zfs n GLU 22 Cb 0.55 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 1.00 -1.87 4.06 0.62 0.00 -1.26 -4.96 105.19 102.78 1zfs n GLY 23 Ca 0.04 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.99 0.00 1.61 8.00 -1.26 -4.70 116.55 116.22 1zfs n ASP 24 Ca 0.00 -0.89 0.09 0.00 0.71 0.00 0.00 54.79 54.69 1zfs n ASP 24 Cb 0.00 -3.34 0.43 0.00 -0.02 0.00 0.00 41.12 38.19 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 -4.54 0.19 0.00 -1.24 2.85 -1.26 -2.11 118.16 112.06 1zfs n LYS 25 Ca 0.05 0.14 0.13 0.00 -1.05 0.00 0.00 58.31 57.58 1zfs n LYS 25 Cb 0.51 -1.50 0.58 0.00 -0.65 0.00 0.00 35.03 33.98 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 -1.34 0.00 -3.47 5.58 4.02 -1.26 -4.83 117.16 115.86 1zfs n TYR 26 Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.85 1zfs n TYR 26 Cb 0.16 -0.50 -0.03 0.00 -0.02 0.00 0.00 39.34 38.95 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1zfs s LYS 27 N -3.00 1.23 0.75 -0.72 2.20 -0.90 -5.12 119.74 114.19 1zfs s LYS 27 Ca 0.13 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 1zfs s LYS 27 Cb 0.18 0.56 0.05 0.00 -1.51 0.00 0.00 37.83 37.10 1zfs s LYS 27 CO 0.50 -0.53 1.13 -1.17 -0.36 0.00 0.00 175.35 174.92 1zfs s LEU 28 N -2.76 2.72 0.12 5.43 2.96 -0.71 -4.85 118.68 121.59 1zfs s LEU 28 Ca 0.02 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 1zfs s LEU 28 Cb -0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1zfs s LEU 28 CO -0.13 -1.60 -0.04 -0.44 -1.32 0.00 0.00 176.35 172.82 1zfs s SER 29 N -4.46 1.10 0.26 3.68 0.01 -1.26 -2.31 113.70 110.73 1zfs s SER 29 Ca 0.60 -1.06 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 1zfs s SER 29 Cb -0.11 0.11 0.31 0.00 0.21 0.00 0.00 66.02 66.55 1zfs s SER 29 CO 0.50 -0.51 1.94 0.50 0.41 0.00 0.00 173.24 176.08 1zfs h LYS 30 N 2.89 1.26 -0.22 12.44 3.64 -1.93 -2.36 116.57 132.29 1zfs h LYS 30 Ca -0.36 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 58.79 1zfs h LYS 30 Cb 1.18 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1zfs h LYS 30 CO 0.64 0.83 -0.49 -0.22 -2.27 0.00 0.00 179.45 177.94 1zfs h LYS 31 N 1.30 0.60 0.05 1.90 1.63 -1.96 -2.94 116.57 117.14 1zfs h LYS 31 Ca 0.35 -0.35 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1zfs h LYS 31 Cb -0.14 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1zfs h LYS 31 CO -0.08 0.96 -0.02 0.93 -3.45 0.00 0.00 179.45 177.79 1zfs h GLU 32 N 0.47 -0.06 0.00 1.90 4.39 -1.81 -2.57 114.58 116.90 1zfs h GLU 32 Ca 0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1zfs h GLU 32 Cb 1.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1zfs h GLU 32 CO 0.10 -0.02 -0.22 1.37 -1.16 0.00 0.00 179.01 179.08 1zfs h LEU 33 N -0.09 0.00 -0.96 1.33 8.10 -1.56 -2.77 115.31 119.36 1zfs h LEU 33 Ca -0.01 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.99 1zfs h LEU 33 Cb 0.07 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.25 1zfs h LEU 33 CO 0.01 0.22 0.62 0.50 -4.11 0.00 0.00 178.44 175.68 1zfs h LYS 34 N 0.00 1.28 -0.21 0.17 1.63 -1.27 -2.50 116.57 115.66 1zfs h LYS 34 Ca -0.00 -0.09 -0.21 0.00 -0.85 0.00 0.00 60.65 59.50 1zfs h LYS 34 Cb 0.56 -0.28 0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1zfs h LYS 34 CO 0.03 0.86 -0.67 0.22 -3.45 0.00 0.00 179.45 176.43 1zfs h ASP 35 N 1.31 0.95 -0.83 4.20 1.82 -1.39 -2.59 116.42 119.89 1zfs h ASP 35 Ca 0.35 -0.57 -0.02 0.00 -0.39 0.00 0.00 57.03 56.40 1zfs h ASP 35 Cb -0.13 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.57 1zfs h ASP 35 CO -0.07 1.37 0.44 -0.07 -1.61 0.00 0.00 179.24 179.30 1zfs h LEU 36 N 0.60 1.05 -0.01 2.28 3.38 -1.43 0.17 115.31 121.35 1zfs h LEU 36 Ca -0.02 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.59 1zfs h LEU 36 Cb 1.29 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.80 1zfs h LEU 36 CO 0.14 0.86 -0.95 -0.07 0.09 0.00 0.00 178.44 178.52 1zfs h LEU 37 N 1.16 0.84 -1.50 1.67 3.38 -1.50 -2.67 115.31 116.69 1zfs h LEU 37 Ca 0.29 -0.74 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1zfs h LEU 37 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1zfs h LEU 37 CO -0.04 1.47 -0.00 1.56 0.09 0.00 0.00 178.44 181.51 1zfs h GLN 38 N 0.30 0.00 0.00 1.13 4.20 -1.31 1.41 115.11 120.84 1zfs h GLN 38 Ca -0.12 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1zfs h GLN 38 Cb 1.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.39 1zfs h GLN 38 CO 0.19 0.00 -0.30 1.79 -0.67 0.00 0.00 178.83 179.84 1zfs h THR 39 N 0.00 0.37 0.00 -0.54 1.35 -0.57 -3.39 112.91 110.13 1zfs h THR 39 Ca -0.00 -1.34 -0.15 0.00 -0.55 0.00 0.00 66.41 64.37 1zfs h THR 39 Cb 0.50 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.65 1zfs h THR 39 CO 0.00 0.13 -1.61 -0.62 -0.25 0.00 0.00 175.52 173.17 1zfs n GLU 40 N -4.66 2.31 -0.69 4.72 1.02 -1.02 -4.65 120.64 117.66 1zfs n GLU 40 Ca -0.07 -0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.07 1zfs n GLU 40 Cb 0.23 -1.23 0.26 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.29 4.58 -0.36 -4.62 4.32 -0.69 -4.64 117.00 113.29 1zfs n LEU 41 Ca -0.14 -3.25 -0.03 0.00 -0.02 0.00 0.00 56.01 52.58 1zfs n LEU 41 Cb 0.75 -0.62 0.10 0.00 -1.62 0.00 0.00 43.42 42.03 1zfs n LEU 41 CO 0.20 0.85 1.27 0.77 -1.22 0.00 0.00 177.39 179.25 1zfs h SER 42 N 1.88 1.14 -0.17 -1.43 4.64 0.17 -0.74 113.55 119.04 1zfs h SER 42 Ca 0.13 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1zfs h SER 42 Cb 1.75 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1zfs h SER 42 CO 0.41 0.84 -0.21 -1.28 -0.87 0.00 0.00 176.83 175.73 1zfs h SER 43 N 1.33 0.48 0.04 4.97 0.87 -1.84 -3.34 113.55 116.06 1zfs h SER 43 Ca 0.35 -0.50 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1zfs h SER 43 Cb -0.12 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1zfs h SER 43 CO -0.07 0.88 -0.02 -0.26 -0.53 0.00 0.00 176.83 176.83 1zfs h PHE 44 N 0.09 -0.05 -1.88 2.24 0.04 -1.86 -3.39 116.94 112.13 1zfs h PHE 44 Ca 0.02 -0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.21 1zfs h PHE 44 Cb 0.76 0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.83 1zfs h PHE 44 CO 0.09 -0.03 1.19 -0.51 -0.60 0.00 0.00 178.31 178.45 1zfs s LEU 45 N -4.99 3.48 -0.79 1.54 1.43 -0.30 -4.90 118.68 114.15 1zfs s LEU 45 Ca -0.01 -0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 51.86 1zfs s LEU 45 Cb 0.00 -2.55 -0.12 0.00 0.03 0.00 0.00 46.19 43.55 1zfs s LEU 45 CO 0.02 -1.64 2.36 -1.81 0.23 0.00 0.00 176.35 175.51 1zfs s ASP 46 N 4.23 4.04 -0.01 2.29 1.01 -1.25 -4.40 116.67 122.58 1zfs s ASP 46 Ca 0.38 0.02 0.16 0.00 0.71 0.00 0.00 52.55 53.82 1zfs s ASP 46 Cb -0.05 -2.55 -0.21 0.00 1.01 0.00 0.00 42.92 41.11 1zfs s ASP 46 CO 0.03 -3.72 0.47 0.55 0.21 0.00 0.00 175.17 172.71 1zfs n VAL 47 N 8.66 0.00 -0.00 -1.27 3.14 -1.26 -4.45 118.33 123.15 1zfs n VAL 47 Ca 0.46 -0.27 -0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1zfs n VAL 47 Cb 0.44 0.48 -0.00 0.00 -1.06 0.00 0.00 33.84 33.70 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 -0.13 1.45 4.20 -1.85 -3.35 115.11 115.43 1zfs h GLN 48 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1zfs h GLN 48 Cb 0.58 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1zfs h GLN 48 CO 0.00 0.00 -0.08 1.57 -0.67 0.00 0.00 178.83 179.65 1zfs h LYS 49 N -0.01 -0.07 -3.97 1.46 -0.00 -1.95 -3.18 116.57 108.84 1zfs h LYS 49 Ca 0.00 0.00 -0.77 0.00 -0.00 0.00 0.00 60.65 59.89 1zfs h LYS 49 Cb 0.00 0.02 -0.21 0.00 -0.00 0.00 0.00 32.23 32.03 1zfs h LYS 49 CO 0.00 -0.05 1.16 -0.25 -0.00 0.00 0.00 179.45 180.31 1zfs n ASP 50 N -5.22 5.44 0.29 7.07 8.00 -1.26 -4.75 116.55 126.12 1zfs n ASP 50 Ca -0.03 -3.07 0.19 0.00 0.71 0.00 0.00 54.79 52.58 1zfs n ASP 50 Cb 0.14 -1.46 0.96 0.00 -0.02 0.00 0.00 41.12 40.74 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 6.53 1.38 0.00 2.24 0.00 -1.68 2.03 119.26 129.76 1zfs h ALA 51 Ca 0.28 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1zfs h ALA 51 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1zfs h ALA 51 CO 1.26 -0.21 -0.29 0.22 0.00 0.00 0.00 179.25 180.24 1zfs h ASP 52 N 0.00 0.00 -0.12 0.00 1.82 -1.89 -1.47 116.42 114.75 1zfs h ASP 52 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1zfs h ASP 52 Cb 0.38 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1zfs h ASP 52 CO -0.00 0.29 0.05 0.00 -1.61 0.00 0.00 179.24 177.98 1zfs h ALA 53 N 1.71 1.79 0.00 -0.78 0.00 0.30 -0.97 119.26 121.31 1zfs h ALA 53 Ca -0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1zfs h ALA 53 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1zfs h ALA 53 CO 0.04 0.17 -0.50 -0.24 0.00 0.00 0.00 179.25 178.72 1zfs h VAL 54 N 0.23 0.95 -0.30 0.00 3.04 -1.26 -2.31 116.25 116.60 1zfs h VAL 54 Ca 0.06 -2.08 -0.18 0.00 -1.01 0.00 0.00 66.70 63.48 1zfs h VAL 54 Cb 0.07 2.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.64 1zfs h VAL 54 CO -0.01 0.49 -0.53 -0.78 -1.01 0.00 0.00 177.57 175.74 1zfs h ASP 55 N 0.00 0.99 -0.44 3.17 1.82 -1.11 -1.79 116.42 119.06 1zfs h ASP 55 Ca -0.01 -0.52 -0.15 0.00 -0.39 0.00 0.00 57.03 55.97 1zfs h ASP 55 Cb 1.25 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 1zfs h ASP 55 CO 0.07 1.32 -0.29 0.11 -1.61 0.00 0.00 179.24 178.83 1zfs h LYS 56 N 0.68 0.97 -0.48 0.28 1.57 -1.43 -1.54 116.57 116.62 1zfs h LYS 56 Ca 0.02 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.27 1zfs h LYS 56 Cb 1.13 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1zfs h LYS 56 CO 0.12 1.13 0.01 0.82 -0.57 0.00 0.00 179.45 180.95 1zfs h ILE 57 N 0.81 1.24 -0.02 1.86 2.04 -1.37 -2.34 117.51 119.72 1zfs h ILE 57 Ca 0.09 -0.99 -0.14 0.00 1.00 0.00 0.00 64.86 64.81 1zfs h ILE 57 Cb 0.88 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1zfs h ILE 57 CO 0.08 0.35 -0.64 0.24 0.00 0.00 0.00 178.15 178.19 1zfs h MET 58 N 0.74 0.09 -0.56 2.37 2.86 -1.16 -2.99 114.93 116.29 1zfs h MET 58 Ca 0.15 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1zfs h MET 58 Cb 0.44 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1zfs h MET 58 CO 0.02 0.70 0.37 -0.22 1.06 0.00 0.00 176.91 178.83 1zfs h LYS 59 N 0.07 0.72 -0.39 1.72 3.64 -0.71 0.05 116.57 121.67 1zfs h LYS 59 Ca -0.01 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1zfs h LYS 59 Cb 1.13 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1zfs h LYS 59 CO 0.09 0.48 -0.39 0.93 -2.27 0.00 0.00 179.45 178.29 1zfs h GLU 60 N 0.74 0.95 0.00 1.90 4.39 -1.54 -3.03 114.58 118.00 1zfs h GLU 60 Ca 0.21 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1zfs h GLU 60 Cb -0.06 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1zfs h GLU 60 CO -0.06 1.16 0.00 1.28 -1.16 0.00 0.00 179.01 180.23 1zfs n LEU 61 N -4.06 0.73 -2.76 1.33 4.32 -0.91 -3.78 117.00 111.87 1zfs n LEU 61 Ca -0.02 0.20 -0.21 0.00 -0.02 0.00 0.00 56.01 55.96 1zfs n LEU 61 Cb 0.55 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.28 1zfs n LEU 61 CO 0.49 0.00 2.19 -0.67 -1.22 0.00 0.00 177.39 178.18 1zfs n ASP 62 N -0.32 5.48 0.11 -1.43 2.03 -0.04 -4.51 116.55 117.86 1zfs n ASP 62 Ca 0.00 -2.35 0.05 0.00 0.52 0.00 0.00 54.79 53.02 1zfs n ASP 62 Cb 0.00 -1.20 0.29 0.00 -0.72 0.00 0.00 41.12 39.49 1zfs n ASP 62 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1zfs n GLU 63 N 3.38 0.07 0.11 -0.67 0.28 -1.14 0.97 120.64 123.63 1zfs n GLU 63 Ca 0.48 0.52 0.13 0.00 -0.16 0.00 0.00 57.16 58.13 1zfs n GLU 63 Cb 0.39 -1.89 0.44 0.00 1.43 0.00 0.00 31.44 31.81 1zfs n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1zfs n ASN 64 N -1.86 0.74 -1.34 -1.84 5.15 -1.26 -4.90 115.26 109.95 1zfs n ASN 64 Ca -0.01 0.60 -0.11 0.00 -0.60 0.00 0.00 54.58 54.46 1zfs n ASN 64 Cb 0.18 -0.79 -0.00 0.00 -0.53 0.00 0.00 39.78 38.64 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 0.95 -0.08 0.38 8.20 0.00 0.27 -4.90 105.19 110.02 1zfs n GLY 65 Ca 0.05 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.20 1.34 0.00 1.61 5.68 -1.26 -4.91 116.55 118.81 1zfs n ASP 66 Ca -0.12 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1zfs n ASP 66 Cb 0.60 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 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 1.27 0.43 3.13 6.12 0.00 -1.26 -4.95 105.19 109.94 1zfs n GLY 67 Ca 0.15 0.00 -0.22 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 -0.63 1.14 -0.07 1.61 2.02 -1.26 -3.22 118.70 118.29 1zfs s GLU 68 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1zfs s GLU 68 Cb 0.00 -1.12 -0.03 0.00 0.10 0.00 0.00 34.13 33.08 1zfs s GLU 68 CO 0.00 0.30 -0.05 0.08 0.02 0.00 0.00 175.26 175.61 1zfs s VAL 69 N -0.47 3.83 -0.46 2.63 1.01 -0.98 -4.74 120.40 121.23 1zfs s VAL 69 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1zfs s VAL 69 Cb -0.06 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1zfs s VAL 69 CO -0.00 0.60 0.82 -0.67 0.00 0.00 0.00 175.10 175.85 1zfs n ASP 70 N 2.22 2.20 0.00 3.32 -0.08 -1.26 -1.73 116.55 121.22 1zfs n ASP 70 Ca -0.18 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.03 1zfs n ASP 70 Cb 0.53 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.48 1zfs n ASP 70 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1zfs n PHE 71 N 0.24 0.00 -0.20 -0.67 1.16 -1.26 -4.10 117.46 112.64 1zfs n PHE 71 Ca 0.02 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.61 1zfs n PHE 71 Cb 0.44 0.00 0.26 0.00 -1.61 0.00 0.00 39.48 38.57 1zfs n PHE 71 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 1zfs h GLN 72 N 0.00 0.94 -0.99 3.97 4.15 -2.01 -0.73 115.11 120.43 1zfs h GLN 72 Ca 0.00 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1zfs h GLN 72 Cb 0.00 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.43 1zfs h GLN 72 CO 0.00 0.62 0.65 0.93 -1.93 0.00 0.00 178.83 179.11 1zfs h GLU 73 N 0.97 1.31 0.00 1.69 5.08 -1.95 -3.12 114.58 118.56 1zfs h GLU 73 Ca 0.26 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1zfs h GLU 73 Cb -0.11 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.85 1zfs h GLU 73 CO -0.06 0.87 -0.00 0.35 -1.00 0.00 0.00 179.01 179.18 1zfs h PHE 74 N 1.35 -0.00 -1.00 4.33 3.04 -1.48 -3.14 116.94 120.05 1zfs h PHE 74 Ca 0.36 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.34 1zfs h PHE 74 Cb -0.15 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.31 1zfs h PHE 74 CO 0.00 0.33 0.66 -0.24 -2.02 0.00 0.00 178.31 177.04 1zfs h VAL 75 N -0.33 1.21 -0.66 1.41 3.04 -1.42 -2.73 116.25 116.77 1zfs h VAL 75 Ca -0.00 -0.45 -0.08 0.00 -1.01 0.00 0.00 66.70 65.17 1zfs h VAL 75 Cb 0.33 -0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 29.38 1zfs h VAL 75 CO 0.00 0.24 0.11 0.58 -1.01 0.00 0.00 177.57 177.49 1zfs h VAL 76 N 1.30 1.26 0.43 1.51 2.07 -1.59 -1.77 116.25 119.46 1zfs h VAL 76 Ca 0.38 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1zfs h VAL 76 Cb -0.07 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1zfs h VAL 76 CO -0.11 0.39 -0.21 0.25 0.02 0.00 0.00 177.57 177.92 1zfs h LEU 77 N 1.01 -0.49 -0.97 2.57 7.12 -1.43 -3.11 115.31 120.01 1zfs h LEU 77 Ca 0.20 -0.09 -0.05 0.00 0.13 0.00 0.00 57.88 58.08 1zfs h LEU 77 Cb 0.44 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1zfs h LEU 77 CO 0.01 -0.07 -0.23 -0.37 -0.13 0.00 0.00 178.44 177.65 1zfs h VAL 78 N -1.04 0.54 0.06 1.05 -1.51 -1.64 -3.01 116.25 110.71 1zfs h VAL 78 Ca -0.06 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.21 1zfs h VAL 78 Cb 0.54 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1zfs h VAL 78 CO 0.10 0.23 -0.03 0.00 -1.23 0.00 0.00 177.57 176.64 1zfs h ALA 79 N 1.77 -0.08 -0.79 5.19 0.00 -1.40 -2.59 119.26 121.36 1zfs h ALA 79 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1zfs h ALA 79 Cb 0.81 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1zfs h ALA 79 CO 0.03 -0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.21 1zfs h ALA 80 N 0.48 1.03 -0.92 0.00 0.00 -1.55 -2.79 119.26 115.50 1zfs h ALA 80 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1zfs h ALA 80 Cb 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1zfs h ALA 80 CO 0.01 0.67 0.53 1.25 0.00 0.00 0.00 179.25 181.71 1zfs h LEU 81 N 1.16 1.12 -0.10 0.00 5.85 -1.52 -2.55 115.31 119.27 1zfs h LEU 81 Ca 0.26 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1zfs h LEU 81 Cb 0.25 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1zfs h LEU 81 CO -0.02 0.88 0.03 0.71 -0.34 0.00 0.00 178.44 179.70 1zfs h THR 82 N 1.28 1.19 -0.29 1.05 1.35 -1.19 -1.86 112.91 114.44 1zfs h THR 82 Ca 0.33 -0.57 -0.09 0.00 -0.55 0.00 0.00 66.41 65.53 1zfs h THR 82 Cb -0.01 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1zfs h THR 82 CO -0.06 0.17 -0.15 -0.37 -0.25 0.00 0.00 175.52 174.85 1zfs h VAL 83 N -0.04 1.30 0.00 6.82 -1.51 -1.50 -2.59 116.25 118.72 1zfs h VAL 83 Ca 0.03 -1.26 -0.00 0.00 -1.23 0.00 0.00 66.70 64.24 1zfs h VAL 83 Cb 0.24 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1zfs h VAL 83 CO -0.00 0.40 -0.00 0.00 -1.23 0.00 0.00 177.57 176.74 1zfs h ALA 84 N 0.74 1.88 -0.45 5.19 0.00 -1.48 -1.26 119.26 123.88 1zfs h ALA 84 Ca 0.06 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1zfs h ALA 84 Cb 0.68 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1zfs h ALA 84 CO 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 179.03 1zfs h ASN 86 N 0.81 1.12 0.95 0.00 2.35 -1.00 -1.99 115.58 117.82 1zfs h ASN 86 Ca 0.09 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 1zfs h ASN 86 Cb 0.85 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1zfs h ASN 86 CO 0.07 0.85 -0.51 -1.13 -1.65 0.00 0.00 177.43 175.06 1zfs h ASN 87 N 1.29 0.00 -0.84 5.81 -0.73 -1.41 -2.93 115.58 116.77 1zfs h ASN 87 Ca 0.34 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.52 1zfs h ASN 87 Cb -0.08 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.47 1zfs h ASN 87 CO -0.07 0.51 0.55 0.15 -0.37 0.00 0.00 177.43 178.21 1zfs h PHE 88 N 0.00 1.05 0.00 0.67 3.57 -0.72 -0.97 116.94 120.54 1zfs h PHE 88 Ca -0.01 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1zfs h PHE 88 Cb 1.12 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1zfs h PHE 88 CO 0.00 0.66 -0.63 0.74 -2.23 0.00 0.00 178.31 176.85 1zfs h PHE 89 N 1.13 0.00 -0.63 0.41 0.04 -1.49 -3.13 116.94 113.27 1zfs h PHE 89 Ca 0.31 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.01 1zfs h PHE 89 Cb -0.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 1zfs h PHE 89 CO -0.01 0.63 0.11 2.35 -0.60 0.00 0.00 178.31 180.79 1zfs h TRP 90 N 0.00 1.10 -0.92 -0.55 2.91 -1.05 -1.91 115.95 115.53 1zfs h TRP 90 Ca -0.01 -0.15 -0.01 0.00 1.13 0.00 0.00 58.89 59.85 1zfs h TRP 90 Cb 1.25 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 29.55 1zfs h TRP 90 CO 0.00 0.93 0.53 0.93 -1.03 0.00 0.00 178.44 179.80 1zfs h GLU 91 N 0.95 1.26 0.00 2.65 5.08 -1.18 -0.99 114.58 122.35 1zfs h GLU 91 Ca 0.19 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1zfs h GLU 91 Cb 0.41 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1zfs h GLU 91 CO 0.01 0.90 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.86 1zfs h ASN 92 N 1.27 0.00 0.00 1.42 2.35 -1.38 -3.52 115.58 115.73 1zfs h ASN 92 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1zfs h ASN 92 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1zfs h ASN 92 CO -0.06 0.15 0.00 -0.24 -1.65 0.00 0.00 177.43 175.63