#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 4.53 0.04 1.61 7.64 -1.26 -4.65 113.62 121.53 1zfs n SER 2 Ca 0.00 -3.06 -0.12 0.00 1.01 0.00 0.00 58.87 56.70 1zfs n SER 2 Cb 0.00 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 62.51 1zfs n SER 2 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1zfs h GLU 3 N 2.57 -0.02 -0.22 1.43 4.81 -2.06 1.06 114.58 122.14 1zfs h GLU 3 Ca 0.05 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 1zfs h GLU 3 Cb 1.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.14 1zfs h GLU 3 CO 0.39 -0.01 -0.66 1.25 -0.73 0.00 0.00 179.01 179.24 1zfs h LEU 4 N -0.02 0.95 -0.98 1.64 6.46 -2.01 -3.00 115.31 118.35 1zfs h LEU 4 Ca 0.01 -0.56 0.01 0.00 -0.12 0.00 0.00 57.88 57.21 1zfs h LEU 4 Cb 0.03 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.63 1zfs h LEU 4 CO -0.01 1.36 0.64 -0.08 -0.62 0.00 0.00 178.44 179.73 1zfs h GLU 5 N 0.60 1.30 0.00 1.25 4.81 -1.76 0.26 114.58 121.03 1zfs h GLU 5 Ca -0.02 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1zfs h GLU 5 Cb 1.28 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1zfs h GLU 5 CO 0.14 0.87 -0.01 1.15 -0.73 0.00 0.00 179.01 180.43 1zfs h THR 6 N 1.33 0.30 -0.23 0.32 2.02 0.13 -1.32 112.91 115.47 1zfs h THR 6 Ca 0.36 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 67.35 1zfs h THR 6 Cb -0.14 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1zfs h THR 6 CO -0.08 0.01 -0.37 0.00 0.37 0.00 0.00 175.52 175.46 1zfs h ALA 7 N 1.99 0.94 -0.06 6.16 0.00 -0.35 -2.26 119.26 125.68 1zfs h ALA 7 Ca -0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1zfs h ALA 7 Cb 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1zfs h ALA 7 CO 0.00 0.62 -0.86 0.52 0.00 0.00 0.00 179.25 179.53 1zfs h MET 8 N 0.42 0.58 -0.44 0.00 2.07 -1.20 -3.13 114.93 113.23 1zfs h MET 8 Ca 0.04 -0.54 -0.13 0.00 -2.07 0.00 0.00 59.70 57.01 1zfs h MET 8 Cb 0.84 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.69 1zfs h MET 8 CO 0.07 1.16 -0.23 0.93 1.07 0.00 0.00 176.91 179.91 1zfs h GLU 9 N 0.37 0.91 0.06 1.72 5.08 -1.45 -2.83 114.58 118.43 1zfs h GLU 9 Ca -0.07 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1zfs h GLU 9 Cb 1.48 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1zfs h GLU 9 CO 0.16 1.04 -0.03 0.00 -1.00 0.00 0.00 179.01 179.19 1zfs h THR 10 N 0.78 1.28 0.00 1.13 1.03 -1.46 -2.03 112.91 113.64 1zfs h THR 10 Ca 0.10 -1.45 -0.06 0.00 -0.01 0.00 0.00 66.41 65.00 1zfs h THR 10 Cb 0.79 2.18 -0.01 0.00 -1.07 0.00 0.00 68.15 70.04 1zfs h THR 10 CO 0.07 0.34 -0.27 0.17 -0.01 0.00 0.00 175.52 175.82 1zfs h LEU 11 N -0.76 0.00 -0.57 0.00 8.10 -1.67 -2.05 115.31 118.36 1zfs h LEU 11 Ca -0.01 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.85 1zfs h LEU 11 Cb 0.62 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1zfs h LEU 11 CO 0.01 0.27 -0.64 0.40 -4.11 0.00 0.00 178.44 174.37 1zfs h ILE 12 N 0.00 1.34 -0.17 0.15 2.04 -1.54 -1.80 117.51 117.52 1zfs h ILE 12 Ca -0.00 -2.29 -0.21 0.00 1.00 0.00 0.00 64.86 63.36 1zfs h ILE 12 Cb 0.67 2.28 0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1zfs h ILE 12 CO 0.03 0.63 -0.71 0.78 0.00 0.00 0.00 178.15 178.89 1zfs h ASN 13 N 0.00 0.92 0.15 1.72 2.35 -0.68 -2.26 115.58 117.79 1zfs h ASN 13 Ca -0.01 -0.61 -0.14 0.00 -0.55 0.00 0.00 56.30 55.00 1zfs h ASN 13 Cb 1.23 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 1zfs h ASN 13 CO 0.08 1.38 -0.49 0.58 -1.65 0.00 0.00 177.43 177.33 1zfs h VAL 14 N 0.52 1.33 -0.78 2.81 2.07 -1.44 0.11 116.25 120.88 1zfs h VAL 14 Ca -0.04 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1zfs h VAL 14 Cb 1.34 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 1zfs h VAL 14 CO 0.15 0.52 0.50 0.15 0.02 0.00 0.00 177.57 178.91 1zfs h PHE 15 N 0.31 1.00 -0.00 1.57 3.57 -1.22 -0.31 116.94 121.86 1zfs h PHE 15 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1zfs h PHE 15 Cb 0.98 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1zfs h PHE 15 CO 0.03 0.64 -0.26 1.58 -2.23 0.00 0.00 178.31 178.07 1zfs n HIS 16 N -4.52 0.00 0.09 0.41 -0.00 -0.86 -1.96 115.22 108.37 1zfs n HIS 16 Ca 0.08 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.06 1zfs n HIS 16 Cb 0.03 -0.33 -0.11 0.00 -0.12 0.00 0.00 29.99 29.46 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 3.09 0.10 0.00 1.57 0.00 0.98 -3.30 119.26 121.70 1zfs h ALA 17 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 54.91 53.82 1zfs h ALA 17 Cb 0.48 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1zfs h ALA 17 CO 0.00 0.77 -2.20 0.72 0.00 0.00 0.00 179.25 178.54 1zfs n HIS 18 N -3.74 0.00 0.12 0.00 8.25 -0.95 -4.11 115.22 114.80 1zfs n HIS 18 Ca -0.11 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.51 1zfs n HIS 18 Cb 0.96 -0.82 0.73 0.00 1.12 0.00 0.00 29.99 31.97 1zfs n HIS 18 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1zfs h SER 19 N 0.00 0.00 -0.03 0.41 4.64 -1.59 0.22 113.55 117.21 1zfs h SER 19 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1zfs h SER 19 Cb 1.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1zfs h SER 19 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 1zfs n GLY 20 N -1.54 0.65 0.14 -0.77 0.00 -1.24 -2.59 105.19 99.84 1zfs n GLY 20 Ca 0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 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 3.87 0.11 -0.01 1.61 3.64 -0.70 -3.16 116.57 121.93 1zfs h LYS 21 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1zfs h LYS 21 Cb 0.82 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1zfs h LYS 21 CO 0.00 0.76 -0.44 0.39 -2.27 0.00 0.00 179.45 177.88 1zfs n GLU 22 N -3.76 0.82 0.00 1.90 1.02 -1.24 -4.93 120.64 114.45 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 0.68 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 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 1.40 1.76 1.05 0.62 0.00 -1.20 -4.83 105.19 103.99 1zfs n GLY 23 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 2.63 0.11 1.61 8.00 -1.26 -4.46 116.55 123.18 1zfs n ASP 24 Ca 0.00 -2.28 0.01 0.00 0.71 0.00 0.00 54.79 53.23 1zfs n ASP 24 Cb 0.00 -0.56 0.06 0.00 -0.02 0.00 0.00 41.12 40.60 1zfs n ASP 24 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1zfs n LYS 25 N 0.14 0.02 0.06 -1.24 4.81 -1.07 0.22 118.16 121.10 1zfs n LYS 25 Ca 0.10 0.35 0.12 0.00 -0.87 0.00 0.00 58.31 58.00 1zfs n LYS 25 Cb 0.62 -2.13 0.11 0.00 0.02 0.00 0.00 35.03 33.65 1zfs n LYS 25 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1zfs n TYR 26 N -1.56 0.54 -3.78 5.64 4.01 -1.26 -4.87 117.16 115.87 1zfs n TYR 26 Ca -0.00 0.16 -0.13 0.00 -0.16 0.00 0.00 57.90 57.77 1zfs n TYR 26 Cb 0.57 -0.64 -0.09 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 -3.20 0.64 0.66 -0.72 2.20 0.59 -5.06 119.74 114.85 1zfs s LYS 27 Ca 0.05 -0.25 -0.08 0.00 -0.36 0.00 0.00 55.97 55.33 1zfs s LYS 27 Cb 0.13 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.75 1zfs s LYS 27 CO 0.75 -0.17 1.01 -1.17 -0.36 0.00 0.00 175.35 175.40 1zfs s LEU 28 N -1.37 3.01 0.16 5.43 2.96 -0.94 -4.74 118.68 123.18 1zfs s LEU 28 Ca -0.13 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1zfs s LEU 28 Cb -0.05 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1zfs s LEU 28 CO 0.03 -1.29 0.02 -0.94 -1.32 0.00 0.00 176.35 172.85 1zfs s SER 29 N -4.37 0.93 0.25 3.68 1.04 -1.26 -2.40 113.70 111.57 1zfs s SER 29 Ca 0.57 -1.18 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 1zfs s SER 29 Cb -0.11 0.17 0.27 0.00 0.10 0.00 0.00 66.02 66.45 1zfs s SER 29 CO 0.48 -0.62 1.93 0.50 0.98 0.00 0.00 173.24 176.51 1zfs h LYS 30 N 2.76 1.32 0.01 4.02 3.64 -1.91 -2.63 116.57 123.78 1zfs h LYS 30 Ca -0.36 -0.08 -0.20 0.00 -1.27 0.00 0.00 60.65 58.74 1zfs h LYS 30 Cb 1.20 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1zfs h LYS 30 CO 0.62 0.87 -0.92 -0.22 -2.27 0.00 0.00 179.45 177.53 1zfs h LYS 31 N 1.36 0.14 -0.00 1.90 3.11 -1.97 -2.84 116.57 118.27 1zfs h LYS 31 Ca 0.37 -0.17 -0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1zfs h LYS 31 Cb -0.15 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.13 1zfs h LYS 31 CO -0.08 0.96 0.00 0.93 -2.81 0.00 0.00 179.45 178.45 1zfs h GLU 32 N 0.07 0.00 -0.13 1.90 5.08 -1.87 -2.58 114.58 117.06 1zfs h GLU 32 Ca -0.04 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1zfs h GLU 32 Cb 1.57 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1zfs h GLU 32 CO 0.14 0.09 -0.51 1.37 -1.00 0.00 0.00 179.01 179.09 1zfs h LEU 33 N -0.09 0.38 -1.25 1.33 8.10 -1.57 -3.00 115.31 119.22 1zfs h LEU 33 Ca 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1zfs h LEU 33 Cb 0.09 -0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1zfs h LEU 33 CO -0.00 0.83 0.46 0.50 -4.11 0.00 0.00 178.44 176.12 1zfs h LYS 34 N 0.27 0.97 -0.59 0.17 3.64 -1.36 -1.99 116.57 117.68 1zfs h LYS 34 Ca 0.01 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1zfs h LYS 34 Cb 1.00 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1zfs h LYS 34 CO 0.09 0.66 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.46 1zfs h ASP 35 N 0.99 1.04 -0.90 4.20 3.32 -1.32 -2.19 116.42 121.56 1zfs h ASP 35 Ca 0.26 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1zfs h ASP 35 Cb -0.08 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.15 1zfs h ASP 35 CO -0.05 1.11 0.50 -0.07 -1.72 0.00 0.00 179.24 179.01 1zfs h LEU 36 N 0.96 1.12 -0.15 1.55 3.38 -1.31 0.13 115.31 120.98 1zfs h LEU 36 Ca 0.16 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 1zfs h LEU 36 Cb 0.59 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1zfs h LEU 36 CO 0.04 0.89 -0.78 -0.07 0.09 0.00 0.00 178.44 178.60 1zfs h LEU 37 N 1.26 0.95 -1.40 1.67 3.38 -1.37 -2.26 115.31 117.54 1zfs h LEU 37 Ca 0.32 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1zfs h LEU 37 Cb 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1zfs h LEU 37 CO -0.05 1.43 -0.11 1.56 0.09 0.00 0.00 178.44 181.35 1zfs h GLN 38 N 0.53 0.00 0.00 1.13 4.20 -1.14 2.30 115.11 122.14 1zfs h GLN 38 Ca -0.05 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 1zfs h GLN 38 Cb 1.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.17 1zfs h GLN 38 CO 0.16 0.11 -1.08 0.25 -0.67 0.00 0.00 178.83 177.61 1zfs n THR 39 N -3.29 1.50 -0.05 -0.54 -2.24 0.42 -4.43 114.28 105.64 1zfs n THR 39 Ca 0.00 0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1zfs n THR 39 Cb 0.35 -2.15 -0.08 0.00 -2.10 0.00 0.00 70.33 66.35 1zfs n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1zfs n GLU 40 N -4.48 1.86 -0.71 -0.78 1.02 -0.86 -4.65 120.64 112.03 1zfs n GLU 40 Ca -0.25 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 56.89 1zfs n GLU 40 Cb 0.56 -1.26 0.22 0.00 -0.02 0.00 0.00 31.44 30.94 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 -2.50 4.21 -0.37 -4.62 4.32 -0.92 -4.71 117.00 112.42 1zfs n LEU 41 Ca -0.18 -3.52 -0.03 0.00 -0.02 0.00 0.00 56.01 52.26 1zfs n LEU 41 Cb 0.81 -0.62 0.10 0.00 -1.62 0.00 0.00 43.42 42.09 1zfs n LEU 41 CO 0.20 1.05 1.27 0.77 -1.22 0.00 0.00 177.39 179.46 1zfs h SER 42 N 1.25 1.14 -0.52 -1.43 4.64 0.36 -2.27 113.55 116.73 1zfs h SER 42 Ca 0.18 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 1zfs h SER 42 Cb 1.67 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 1zfs h SER 42 CO 0.38 0.85 -0.10 0.77 -0.87 0.00 0.00 176.83 177.86 1zfs h SER 43 N 1.33 0.99 0.02 4.97 4.64 -1.84 -3.34 113.55 120.33 1zfs h SER 43 Ca 0.35 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1zfs h SER 43 Cb -0.11 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.71 1zfs h SER 43 CO -0.07 1.11 -0.01 -0.26 -0.87 0.00 0.00 176.83 176.73 1zfs h PHE 44 N 0.86 -0.03 -2.23 4.77 0.04 -1.88 -3.40 116.94 115.07 1zfs h PHE 44 Ca 0.13 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.34 1zfs h PHE 44 Cb 0.67 0.01 -0.09 0.00 2.20 0.00 0.00 35.95 38.74 1zfs h PHE 44 CO 0.05 -0.02 1.06 -0.51 -0.60 0.00 0.00 178.31 178.29 1zfs s LEU 45 N -4.66 3.37 -1.09 1.54 1.02 -0.87 -4.89 118.68 113.09 1zfs s LEU 45 Ca -0.00 -0.67 -0.26 0.00 0.02 0.00 0.00 54.13 53.22 1zfs s LEU 45 Cb 0.00 -2.54 -0.19 0.00 0.02 0.00 0.00 46.19 43.48 1zfs s LEU 45 CO 0.01 -1.74 2.08 -1.81 0.02 0.00 0.00 176.35 174.92 1zfs s ASP 46 N 3.90 3.85 0.06 2.29 1.01 -1.25 -4.53 116.67 121.99 1zfs s ASP 46 Ca 0.35 -1.10 0.23 0.00 0.71 0.00 0.00 52.55 52.74 1zfs s ASP 46 Cb -0.08 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.29 1zfs s ASP 46 CO 0.11 -4.30 1.01 0.55 0.21 0.00 0.00 175.17 172.75 1zfs n VAL 47 N 8.72 0.19 -0.00 -1.27 3.14 -1.26 -4.19 118.33 123.65 1zfs n VAL 47 Ca 0.42 -0.27 -0.00 0.00 -2.96 0.00 0.00 64.34 61.54 1zfs n VAL 47 Cb 0.47 0.18 -0.00 0.00 -1.06 0.00 0.00 33.84 33.42 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 -0.17 1.45 7.50 -1.86 -3.36 115.11 118.67 1zfs h GLN 48 Ca 0.00 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.19 1zfs h GLN 48 Cb 0.75 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.24 1zfs h GLN 48 CO 0.00 0.00 -0.06 1.57 -1.50 0.00 0.00 178.83 178.84 1zfs h LYS 49 N -0.06 -0.03 -4.02 1.46 -0.00 -1.97 -3.17 116.57 108.79 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 0.01 -0.21 0.00 -0.00 0.00 0.00 32.23 32.03 1zfs h LYS 49 CO 0.00 -0.02 1.18 -0.25 -0.00 0.00 0.00 179.45 180.36 1zfs n ASP 50 N -5.20 5.41 0.30 7.07 8.00 -1.26 -4.74 116.55 126.13 1zfs n ASP 50 Ca -0.03 -3.07 0.18 0.00 0.71 0.00 0.00 54.79 52.59 1zfs n ASP 50 Cb 0.13 -1.47 0.95 0.00 -0.02 0.00 0.00 41.12 40.71 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 6.57 1.35 0.00 2.24 0.00 -1.69 1.87 119.26 129.60 1zfs h ALA 51 Ca 0.28 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1zfs h ALA 51 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1zfs h ALA 51 CO 1.26 -0.23 -0.35 0.22 0.00 0.00 0.00 179.25 180.15 1zfs h ASP 52 N 0.00 0.00 -0.13 0.00 1.82 -1.89 -2.23 116.42 113.99 1zfs h ASP 52 Ca 0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1zfs h ASP 52 Cb 0.44 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1zfs h ASP 52 CO -0.00 0.35 0.02 0.00 -1.61 0.00 0.00 179.24 178.00 1zfs h ALA 53 N 1.65 1.63 -0.00 -0.78 0.00 0.26 -1.79 119.26 120.23 1zfs h ALA 53 Ca -0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1zfs h ALA 53 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1zfs h ALA 53 CO 0.05 0.28 -0.79 -0.24 0.00 0.00 0.00 179.25 178.55 1zfs h VAL 54 N 0.31 1.55 -0.34 0.00 3.04 -1.39 -2.41 116.25 117.01 1zfs h VAL 54 Ca 0.07 -2.64 -0.17 0.00 -1.01 0.00 0.00 66.70 62.95 1zfs h VAL 54 Cb 0.19 2.43 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1zfs h VAL 54 CO 0.00 0.76 -0.44 -0.78 -1.01 0.00 0.00 177.57 176.10 1zfs h ASP 55 N 0.02 0.96 -0.38 3.17 1.82 -1.26 -2.17 116.42 118.57 1zfs h ASP 55 Ca -0.01 -0.46 -0.16 0.00 -0.39 0.00 0.00 57.03 56.01 1zfs h ASP 55 Cb 1.39 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 1zfs h ASP 55 CO 0.11 1.25 -0.38 0.11 -1.61 0.00 0.00 179.24 178.72 1zfs h LYS 56 N 0.71 0.94 -0.63 0.28 1.57 -1.45 -1.43 116.57 116.56 1zfs h LYS 56 Ca 0.04 -0.49 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 1zfs h LYS 56 Cb 1.03 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1zfs h LYS 56 CO 0.10 1.15 0.11 0.97 -0.57 0.00 0.00 179.45 181.21 1zfs h ILE 57 N 0.77 1.26 -0.01 1.86 6.09 -1.38 -2.16 117.51 123.93 1zfs h ILE 57 Ca 0.06 -0.99 -0.12 0.00 -1.37 0.00 0.00 64.86 62.44 1zfs h ILE 57 Cb 0.97 0.66 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 1zfs h ILE 57 CO 0.09 0.37 -0.58 0.24 -3.07 0.00 0.00 178.15 175.21 1zfs h MET 58 N 0.96 0.04 -0.96 2.19 2.86 -1.28 -3.11 114.93 115.63 1zfs h MET 58 Ca 0.19 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.91 1zfs h MET 58 Cb 0.41 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 1zfs h MET 58 CO 0.01 0.60 0.60 -0.22 1.06 0.00 0.00 176.91 178.96 1zfs h LYS 59 N 0.03 0.95 -0.32 1.72 3.64 -0.58 2.08 116.57 124.09 1zfs h LYS 59 Ca -0.01 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1zfs h LYS 59 Cb 1.03 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1zfs h LYS 59 CO 0.08 0.63 -0.05 0.93 -2.27 0.00 0.00 179.45 178.77 1zfs h GLU 60 N 0.98 0.52 0.00 1.90 4.39 -1.49 -1.81 114.58 119.07 1zfs h GLU 60 Ca 0.46 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1zfs h GLU 60 Cb 0.39 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1zfs h GLU 60 CO -0.24 0.59 0.00 1.28 -1.16 0.00 0.00 179.01 179.47 1zfs n LEU 61 N -4.25 0.01 -1.31 1.33 4.32 0.18 -4.03 117.00 113.25 1zfs n LEU 61 Ca 0.01 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1zfs n LEU 61 Cb 0.28 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1zfs n LEU 61 CO 0.40 -0.50 0.54 0.47 -1.22 0.00 0.00 177.39 177.08 1zfs n ASP 62 N -2.04 3.00 0.29 -1.43 8.00 0.65 -4.11 116.55 120.92 1zfs n ASP 62 Ca 0.00 -1.73 0.17 0.00 0.71 0.00 0.00 54.79 53.94 1zfs n ASP 62 Cb 0.00 -0.58 0.86 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.17 0.00 -0.01 -1.24 4.81 -1.45 2.23 114.58 120.09 1zfs h GLU 63 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zfs h GLU 63 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1zfs h GLU 63 CO 0.00 0.00 -0.09 0.09 -0.73 0.00 0.00 179.01 178.28 1zfs n ASN 64 N -3.11 0.59 -1.27 1.04 3.02 -1.26 -4.91 115.26 109.37 1zfs n ASN 64 Ca -0.01 -0.79 -0.09 0.00 -0.03 0.00 0.00 54.58 53.66 1zfs n ASN 64 Cb 0.37 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zfs n GLY 65 N 1.23 0.09 0.39 7.41 0.00 0.75 -4.91 105.19 110.14 1zfs n GLY 65 Ca 0.16 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 1.41 0.00 1.61 5.75 -1.25 -4.89 116.55 119.23 1zfs n ASP 66 Ca -0.08 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1zfs n ASP 66 Cb 0.57 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 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 1.30 0.00 3.15 6.12 0.00 -1.26 -4.83 105.19 109.67 1zfs n GLY 67 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.03 0.78 0.18 1.61 2.02 -1.26 -3.16 118.70 117.83 1zfs s GLU 68 Ca 0.00 -1.20 0.08 0.00 0.02 0.00 0.00 54.97 53.86 1zfs s GLU 68 Cb 0.00 -0.26 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1zfs s GLU 68 CO 0.00 0.01 -0.16 0.08 0.02 0.00 0.00 175.26 175.21 1zfs s VAL 69 N -3.05 1.74 -0.56 2.63 1.01 -1.01 -4.62 120.40 116.54 1zfs s VAL 69 Ca 0.07 -2.03 0.08 0.00 0.00 0.00 0.00 61.98 60.10 1zfs s VAL 69 Cb 0.01 -1.90 0.47 0.00 0.00 0.00 0.00 36.38 34.97 1zfs s VAL 69 CO -0.03 -0.45 1.23 0.47 0.00 0.00 0.00 175.10 176.32 1zfs n ASP 70 N 0.02 3.74 0.00 3.32 8.00 -1.26 -2.22 116.55 128.15 1zfs n ASP 70 Ca -0.11 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.84 1zfs n ASP 70 Cb 0.58 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1zfs n ASP 70 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1zfs n PHE 71 N 0.34 0.00 0.16 1.24 7.35 -1.26 -4.34 117.46 120.95 1zfs n PHE 71 Ca 0.17 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.86 1zfs n PHE 71 Cb 0.81 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.90 1zfs n PHE 71 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1zfs h GLN 72 N 0.00 0.00 -0.44 -4.13 -0.00 -2.01 -2.53 115.11 106.01 1zfs h GLN 72 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1zfs h GLN 72 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1zfs h GLN 72 CO 0.00 0.50 -0.24 0.93 -0.00 0.00 0.00 178.83 180.02 1zfs h GLU 73 N 0.00 0.93 -0.35 0.06 5.08 -1.96 -3.17 114.58 115.17 1zfs h GLU 73 Ca -0.00 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1zfs h GLU 73 Cb 0.89 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1zfs h GLU 73 CO 0.06 1.08 -0.07 0.35 -1.00 0.00 0.00 179.01 179.43 1zfs h PHE 74 N 0.76 0.75 -1.00 4.33 3.04 -1.86 -2.69 116.94 120.28 1zfs h PHE 74 Ca 0.09 -0.16 0.01 0.00 3.98 0.00 0.00 57.97 61.90 1zfs h PHE 74 Cb 0.81 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 39.09 1zfs h PHE 74 CO 0.06 0.82 0.66 -0.24 -2.02 0.00 0.00 178.31 177.59 1zfs h VAL 75 N 0.46 1.25 -0.39 1.41 3.04 -1.47 -2.47 116.25 118.08 1zfs h VAL 75 Ca 0.09 -0.46 -0.16 0.00 -1.01 0.00 0.00 66.70 65.16 1zfs h VAL 75 Cb 0.57 -0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 1zfs h VAL 75 CO 0.03 0.25 -0.39 0.58 -1.01 0.00 0.00 177.57 177.03 1zfs h VAL 76 N 1.35 1.27 0.66 1.51 2.07 -1.52 -1.81 116.25 119.78 1zfs h VAL 76 Ca 0.37 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1zfs h VAL 76 Cb -0.15 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1zfs h VAL 76 CO -0.08 0.52 -0.32 0.25 0.02 0.00 0.00 177.57 177.97 1zfs h LEU 77 N 0.77 -0.75 -0.82 2.57 5.85 -1.11 -2.77 115.31 119.05 1zfs h LEU 77 Ca 0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1zfs h LEU 77 Cb 0.99 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1zfs h LEU 77 CO 0.10 -0.45 -0.07 -0.37 -0.34 0.00 0.00 178.44 177.30 1zfs h VAL 78 N -1.02 0.15 0.17 1.05 -1.51 -1.58 -2.82 116.25 110.69 1zfs h VAL 78 Ca -0.09 -0.89 -0.01 0.00 -1.23 0.00 0.00 66.70 64.48 1zfs h VAL 78 Cb 0.71 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1zfs h VAL 78 CO 0.15 0.07 -0.08 0.00 -1.23 0.00 0.00 177.57 176.48 1zfs h ALA 79 N 1.93 -0.23 -0.37 5.19 0.00 -1.27 -2.42 119.26 122.09 1zfs h ALA 79 Ca -0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1zfs h ALA 79 Cb 0.77 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1zfs h ALA 79 CO 0.01 -0.40 -0.37 0.00 0.00 0.00 0.00 179.25 178.49 1zfs h ALA 80 N 0.01 0.54 -0.28 0.00 0.00 -1.54 -2.56 119.26 115.43 1zfs h ALA 80 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1zfs h ALA 80 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1zfs h ALA 80 CO 0.04 0.64 0.15 1.25 0.00 0.00 0.00 179.25 181.32 1zfs h LEU 81 N 0.71 0.35 -0.87 0.00 5.85 -1.58 -2.33 115.31 117.43 1zfs h LEU 81 Ca 0.06 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1zfs h LEU 81 Cb 0.96 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1zfs h LEU 81 CO 0.09 0.34 0.44 0.74 -0.34 0.00 0.00 178.44 179.71 1zfs h THR 82 N 0.33 1.26 -0.97 1.05 2.02 -1.45 -2.51 112.91 112.65 1zfs h THR 82 Ca 0.10 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.58 1zfs h THR 82 Cb 0.07 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 1zfs h THR 82 CO -0.02 0.31 0.63 0.58 0.37 0.00 0.00 175.52 177.39 1zfs h VAL 83 N 1.24 1.25 -0.99 3.16 2.07 -1.18 -1.79 116.25 120.01 1zfs h VAL 83 Ca 0.30 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1zfs h VAL 83 Cb 0.09 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.64 1zfs h VAL 83 CO -0.04 0.25 0.66 0.00 0.02 0.00 0.00 177.57 178.45 1zfs h ALA 84 N 1.35 1.29 -0.79 1.67 0.00 -0.98 -2.46 119.26 119.34 1zfs h ALA 84 Ca 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1zfs h ALA 84 Cb -0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.21 1zfs h ALA 84 CO -0.07 0.66 0.52 0.00 0.00 0.00 0.00 179.25 180.35 1zfs h ASN 86 N 1.08 1.11 -0.94 0.00 -1.24 -1.29 -1.96 115.58 112.35 1zfs h ASN 86 Ca 0.29 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1zfs h ASN 86 Cb -0.11 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.61 1zfs h ASN 86 CO -0.06 0.89 0.55 -1.13 -1.29 0.00 0.00 177.43 176.39 1zfs h ASN 87 N 1.25 1.14 -0.96 1.15 -1.24 -1.30 0.16 115.58 115.78 1zfs h ASN 87 Ca 0.31 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1zfs h ASN 87 Cb 0.02 -0.29 -0.05 0.00 0.73 0.00 0.00 38.32 38.74 1zfs h ASN 87 CO -0.05 0.89 0.60 0.15 -1.29 0.00 0.00 177.43 177.73 1zfs h PHE 88 N 1.30 1.23 -0.45 0.67 3.04 -0.91 -2.26 116.94 119.57 1zfs h PHE 88 Ca 0.33 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.29 1zfs h PHE 88 Cb -0.03 -0.41 0.00 0.00 2.56 0.00 0.00 35.95 38.07 1zfs h PHE 88 CO 0.01 0.80 0.00 1.19 -2.02 0.00 0.00 178.31 178.29 1zfs n PHE 89 N -4.38 0.59 0.01 0.41 3.72 -0.88 -4.27 117.46 112.66 1zfs n PHE 89 Ca 0.11 -0.29 -0.02 0.00 -0.05 0.00 0.00 57.45 57.20 1zfs n PHE 89 Cb 0.04 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.82 1zfs n PHE 89 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1zfs h TRP 90 N 3.45 0.54 -0.93 1.38 7.01 -0.35 -2.87 115.95 124.19 1zfs h TRP 90 Ca 0.00 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 60.93 1zfs h TRP 90 Cb 0.78 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.64 1zfs h TRP 90 CO 0.29 0.63 0.61 1.49 -2.79 0.00 0.00 178.44 178.67 1zfs h GLU 91 N 0.46 1.20 -0.95 2.65 4.81 -1.74 -1.90 114.58 119.11 1zfs h GLU 91 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1zfs h GLU 91 Cb 0.52 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1zfs h GLU 91 CO 0.03 0.80 0.60 -0.91 -0.73 0.00 0.00 179.01 178.79 1zfs h ASN 92 N 1.24 1.12 0.00 1.04 2.35 -1.81 -3.55 115.58 115.98 1zfs h ASN 92 Ca 0.34 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1zfs h ASN 92 Cb -0.12 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 37.97 1zfs h ASN 92 CO -0.08 0.84 0.00 -0.24 -1.65 0.00 0.00 177.43 176.30