#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 4.35 -0.01 1.61 3.41 -1.26 -4.60 113.62 117.12 1zfs n SER 2 Ca 0.00 -3.30 -0.11 0.00 -0.26 0.00 0.00 58.87 55.20 1zfs n SER 2 Cb 0.00 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 1zfs n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1zfs h GLU 3 N 2.22 0.14 -0.16 4.33 5.08 -2.05 2.93 114.58 127.07 1zfs h GLU 3 Ca 0.25 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 1zfs h GLU 3 Cb 2.18 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 31.41 1zfs h GLU 3 CO 0.66 0.13 -0.77 1.25 -1.00 0.00 0.00 179.01 179.28 1zfs h LEU 4 N 0.11 0.96 -0.78 1.33 6.46 -2.01 -2.45 115.31 118.93 1zfs h LEU 4 Ca 0.04 -0.62 -0.05 0.00 -0.12 0.00 0.00 57.88 57.12 1zfs h LEU 4 Cb 0.03 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.64 1zfs h LEU 4 CO -0.01 1.42 0.28 -0.08 -0.62 0.00 0.00 178.44 179.44 1zfs h GLU 5 N 0.55 1.19 0.00 1.25 4.81 -1.76 -0.16 114.58 120.47 1zfs h GLU 5 Ca -0.05 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1zfs h GLU 5 Cb 1.40 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1zfs h GLU 5 CO 0.16 0.98 -0.04 1.15 -0.73 0.00 0.00 179.01 180.53 1zfs h THR 6 N 1.15 0.31 -0.49 0.32 2.02 0.54 -1.88 112.91 114.88 1zfs h THR 6 Ca 0.26 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1zfs h THR 6 Cb 0.26 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1zfs h THR 6 CO -0.02 0.04 -0.20 0.00 0.37 0.00 0.00 175.52 175.71 1zfs h ALA 7 N 1.96 0.72 0.06 6.16 0.00 -0.53 -2.08 119.26 125.55 1zfs h ALA 7 Ca -0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 1zfs h ALA 7 Cb 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1zfs h ALA 7 CO 0.01 0.67 -1.08 0.52 0.00 0.00 0.00 179.25 179.37 1zfs h MET 8 N 0.86 0.38 -0.10 0.00 2.07 -1.32 -3.15 114.93 113.67 1zfs h MET 8 Ca 0.11 -0.48 -0.13 0.00 -2.07 0.00 0.00 59.70 57.13 1zfs h MET 8 Cb 0.78 0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.65 1zfs h MET 8 CO 0.06 1.17 -0.50 1.05 1.07 0.00 0.00 176.91 179.76 1zfs h GLU 9 N 0.18 0.26 0.03 1.72 4.11 -1.45 -2.64 114.58 116.78 1zfs h GLU 9 Ca -0.11 -0.15 -0.13 0.00 0.07 0.00 0.00 59.36 59.05 1zfs h GLU 9 Cb 1.75 0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.02 1zfs h GLU 9 CO 0.18 0.70 -0.51 0.00 0.07 0.00 0.00 179.01 179.45 1zfs h THR 10 N 0.20 1.50 0.00 -1.06 1.03 -1.44 -2.25 112.91 110.89 1zfs h THR 10 Ca 0.01 -2.14 -0.08 0.00 -0.01 0.00 0.00 66.41 64.18 1zfs h THR 10 Cb 0.95 2.80 -0.01 0.00 -1.07 0.00 0.00 68.15 70.82 1zfs h THR 10 CO 0.08 0.61 -0.40 0.17 -0.01 0.00 0.00 175.52 175.97 1zfs h LEU 11 N -0.31 0.00 -0.31 0.00 8.10 -1.62 -2.42 115.31 118.75 1zfs h LEU 11 Ca -0.07 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.72 1zfs h LEU 11 Cb 1.27 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1zfs h LEU 11 CO 0.10 0.40 -0.81 0.40 -4.11 0.00 0.00 178.44 174.41 1zfs h ILE 12 N 0.00 1.39 -0.25 0.15 2.04 -1.52 -1.51 117.51 117.81 1zfs h ILE 12 Ca -0.00 -2.27 -0.12 0.00 1.00 0.00 0.00 64.86 63.46 1zfs h ILE 12 Cb 0.87 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1zfs h ILE 12 CO 0.05 0.68 -0.33 -1.13 0.00 0.00 0.00 178.15 177.42 1zfs h ASN 13 N 0.26 0.72 0.24 1.72 -1.24 -1.22 -2.15 115.58 113.90 1zfs h ASN 13 Ca -0.05 -0.50 -0.12 0.00 0.71 0.00 0.00 56.30 56.34 1zfs h ASN 13 Cb 1.41 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 1zfs h ASN 13 CO 0.14 1.08 -0.47 0.58 -1.29 0.00 0.00 177.43 177.47 1zfs h VAL 14 N 0.37 1.33 -0.95 2.57 2.07 -1.50 0.42 116.25 120.57 1zfs h VAL 14 Ca 0.03 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1zfs h VAL 14 Cb 0.91 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1zfs h VAL 14 CO 0.08 0.50 0.57 0.15 0.02 0.00 0.00 177.57 178.89 1zfs h PHE 15 N 0.22 1.26 0.00 1.57 3.57 -1.09 -0.22 116.94 122.25 1zfs h PHE 15 Ca 0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1zfs h PHE 15 Cb 0.92 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1zfs h PHE 15 CO 0.02 0.83 -0.29 1.58 -2.23 0.00 0.00 178.31 178.22 1zfs n HIS 16 N -4.35 0.22 0.03 0.41 -0.00 -0.83 -1.90 115.22 108.80 1zfs n HIS 16 Ca 0.11 0.06 -0.20 0.00 0.46 0.00 0.00 57.72 58.15 1zfs n HIS 16 Cb 0.06 -0.49 -0.10 0.00 -0.12 0.00 0.00 29.99 29.34 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 2.85 0.16 0.00 1.57 0.00 0.91 -3.28 119.26 121.46 1zfs h ALA 17 Ca 0.00 -0.68 -0.36 0.00 0.00 0.00 0.00 54.91 53.87 1zfs h ALA 17 Cb 0.57 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1zfs h ALA 17 CO 0.00 0.69 -2.36 1.58 0.00 0.00 0.00 179.25 179.15 1zfs n HIS 18 N -3.87 0.00 0.01 0.00 -0.00 -0.95 -4.13 115.22 106.28 1zfs n HIS 18 Ca -0.10 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.79 1zfs n HIS 18 Cb 0.86 -0.94 0.64 0.00 -0.00 0.00 0.00 29.99 30.56 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 0.08 -0.15 0.26 0.02 -1.56 0.35 113.55 112.56 1zfs h SER 19 Ca -0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1zfs h SER 19 Cb 1.96 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1zfs h SER 19 CO -0.04 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1zfs n GLY 20 N -1.60 0.64 0.12 -3.77 0.00 -1.24 -3.15 105.19 96.18 1zfs n GLY 20 Ca 0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 3.18 0.00 -0.01 1.61 3.64 -0.44 -3.28 116.57 121.26 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 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1zfs h LYS 21 CO 0.00 0.58 -0.42 0.39 -2.27 0.00 0.00 179.45 177.73 1zfs n GLU 22 N -3.20 1.08 0.00 1.90 -0.58 -1.23 -4.94 120.64 113.66 1zfs n GLU 22 Ca -0.00 -0.83 0.00 0.00 -0.42 0.00 0.00 57.16 55.91 1zfs n GLU 22 Cb 0.80 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 1.40 1.65 1.71 0.62 0.00 -1.24 -4.87 105.19 104.46 1zfs n GLY 23 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 5.55 0.08 1.61 8.00 -1.25 -4.50 116.55 126.03 1zfs n ASP 24 Ca 0.00 -2.82 0.04 0.00 0.71 0.00 0.00 54.79 52.72 1zfs n ASP 24 Cb 0.00 -0.98 0.23 0.00 -0.02 0.00 0.00 41.12 40.35 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 0.49 0.06 0.03 -1.24 4.81 -1.19 -0.39 118.16 120.73 1zfs n LYS 25 Ca 0.22 0.50 0.12 0.00 -0.87 0.00 0.00 58.31 58.28 1zfs n LYS 25 Cb 0.63 -1.80 0.25 0.00 0.02 0.00 0.00 35.03 34.13 1zfs n LYS 25 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1zfs n TYR 26 N -1.77 0.26 -3.54 5.64 4.19 -1.26 -4.89 117.16 115.80 1zfs n TYR 26 Ca -0.01 0.08 -0.10 0.00 3.31 0.00 0.00 57.90 61.18 1zfs n TYR 26 Cb 0.13 -0.46 -0.02 0.00 0.49 0.00 0.00 39.34 39.48 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1zfs s LYS 27 N -3.08 1.31 0.63 2.98 2.20 0.48 -5.12 119.74 119.15 1zfs s LYS 27 Ca 0.09 -0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 55.04 1zfs s LYS 27 Cb 0.16 0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 37.02 1zfs s LYS 27 CO 0.69 -0.58 1.01 -1.17 -0.36 0.00 0.00 175.35 174.93 1zfs s LEU 28 N -2.76 3.15 0.20 5.43 2.96 -0.88 -4.74 118.68 122.04 1zfs s LEU 28 Ca 0.04 1.12 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 1zfs s LEU 28 Cb -0.02 -4.02 -0.05 0.00 0.50 0.00 0.00 46.19 42.60 1zfs s LEU 28 CO -0.07 -1.06 -0.03 -0.44 -1.32 0.00 0.00 176.35 173.43 1zfs s SER 29 N -4.27 1.71 0.25 3.68 0.01 -1.26 -2.25 113.70 111.58 1zfs s SER 29 Ca 0.55 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 56.60 1zfs s SER 29 Cb -0.11 0.02 0.26 0.00 0.21 0.00 0.00 66.02 66.40 1zfs s SER 29 CO 0.50 -0.47 1.93 0.50 0.41 0.00 0.00 173.24 176.11 1zfs h LYS 30 N 2.60 1.33 -0.04 12.44 3.11 -1.92 -2.61 116.57 131.47 1zfs h LYS 30 Ca -0.38 -0.08 -0.20 0.00 -2.81 0.00 0.00 60.65 57.18 1zfs h LYS 30 Cb 1.21 -0.30 -0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1zfs h LYS 30 CO 0.64 0.88 -0.82 -0.22 -2.81 0.00 0.00 179.45 177.12 1zfs h LYS 31 N 1.36 0.35 -0.03 1.90 1.63 -1.97 -3.05 116.57 116.77 1zfs h LYS 31 Ca 0.37 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1zfs h LYS 31 Cb -0.15 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1zfs h LYS 31 CO -0.08 1.00 0.02 0.93 -3.45 0.00 0.00 179.45 177.87 1zfs h GLU 32 N 0.22 0.04 -0.04 1.90 5.08 -1.86 -2.73 114.58 117.20 1zfs h GLU 32 Ca -0.05 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1zfs h GLU 32 Cb 1.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1zfs h GLU 32 CO 0.14 0.04 -0.39 1.37 -1.00 0.00 0.00 179.01 179.17 1zfs h LEU 33 N 0.04 0.08 -0.89 1.33 8.10 -1.56 -2.84 115.31 119.57 1zfs h LEU 33 Ca 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1zfs h LEU 33 Cb 0.00 -0.02 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1zfs h LEU 33 CO -0.00 0.46 0.45 0.50 -4.11 0.00 0.00 178.44 175.74 1zfs h LYS 34 N 0.07 1.25 -0.77 0.17 3.64 -1.38 -2.52 116.57 117.03 1zfs h LYS 34 Ca 0.01 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1zfs h LYS 34 Cb 0.72 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1zfs h LYS 34 CO 0.05 0.93 0.27 -0.44 -2.27 0.00 0.00 179.45 177.99 1zfs h ASP 35 N 1.24 1.10 -0.70 4.20 3.32 -1.25 -2.52 116.42 121.81 1zfs h ASP 35 Ca 0.31 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1zfs h ASP 35 Cb 0.07 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1zfs h ASP 35 CO -0.04 1.00 0.14 -0.07 -1.72 0.00 0.00 179.24 178.55 1zfs h LEU 36 N 1.13 1.09 -0.10 1.55 3.38 -1.41 -1.21 115.31 119.75 1zfs h LEU 36 Ca 0.25 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1zfs h LEU 36 Cb 0.28 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1zfs h LEU 36 CO -0.01 1.05 -0.62 -0.07 0.09 0.00 0.00 178.44 178.88 1zfs h LEU 37 N 1.07 0.71 -0.78 1.67 3.38 -1.34 -2.71 115.31 117.31 1zfs h LEU 37 Ca 0.22 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1zfs h LEU 37 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1zfs h LEU 37 CO 0.01 1.26 0.00 0.06 0.09 0.00 0.00 178.44 179.86 1zfs h GLN 38 N 0.22 0.00 0.00 1.13 3.07 -1.44 2.36 115.11 120.44 1zfs h GLN 38 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 1zfs h GLN 38 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.82 1zfs h GLN 38 CO 0.13 0.00 -0.32 1.79 0.09 0.00 0.00 178.83 180.52 1zfs h THR 39 N 0.00 0.42 0.00 1.86 1.35 -1.14 -3.38 112.91 112.01 1zfs h THR 39 Ca 0.00 -1.38 -0.18 0.00 -0.55 0.00 0.00 66.41 64.30 1zfs h THR 39 Cb 0.53 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 1zfs h THR 39 CO 0.00 0.14 -1.67 -0.62 -0.25 0.00 0.00 175.52 173.12 1zfs n GLU 40 N -4.66 2.38 -0.67 4.72 1.02 -1.03 -4.63 120.64 117.77 1zfs n GLU 40 Ca -0.08 -0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.06 1zfs n GLU 40 Cb 0.25 -1.25 0.24 0.00 -0.02 0.00 0.00 31.44 30.66 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 -2.36 4.32 -0.14 -4.62 4.32 -0.44 -4.70 117.00 113.38 1zfs n LEU 41 Ca -0.16 -3.36 -0.08 0.00 -0.02 0.00 0.00 56.01 52.40 1zfs n LEU 41 Cb 0.81 -0.61 0.01 0.00 -1.62 0.00 0.00 43.42 42.01 1zfs n LEU 41 CO 0.21 0.93 1.05 0.77 -1.22 0.00 0.00 177.39 179.13 1zfs h SER 42 N 1.52 0.50 -0.66 -1.43 4.64 0.37 0.05 113.55 118.55 1zfs h SER 42 Ca 0.14 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1zfs h SER 42 Cb 1.68 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.62 1zfs h SER 42 CO 0.38 0.37 0.27 0.28 -0.87 0.00 0.00 176.83 177.25 1zfs h SER 43 N 0.59 0.91 0.00 4.97 0.02 -1.84 -3.32 113.55 114.89 1zfs h SER 43 Ca 0.16 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1zfs h SER 43 Cb -0.06 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.24 1zfs h SER 43 CO -0.03 0.83 0.00 0.33 -1.14 0.00 0.00 176.83 176.82 1zfs n PHE 44 N -4.41 0.00 -2.43 3.45 -0.00 -1.09 -4.45 117.46 108.54 1zfs n PHE 44 Ca 0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.12 1zfs n PHE 44 Cb 0.17 -0.50 -0.03 0.00 -0.00 0.00 0.00 39.48 39.12 1zfs n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1zfs s LEU 45 N -4.00 3.47 -0.47 -2.13 2.01 -0.02 -4.90 118.68 112.64 1zfs s LEU 45 Ca 0.00 -1.51 -0.32 0.00 0.01 0.00 0.00 54.13 52.31 1zfs s LEU 45 Cb 0.00 -2.57 -0.12 0.00 0.01 0.00 0.00 46.19 43.51 1zfs s LEU 45 CO 0.00 -1.81 2.32 0.47 1.01 0.00 0.00 176.35 178.35 1zfs n ASP 46 N 10.22 1.95 0.00 2.29 8.00 -1.25 -4.54 116.55 133.23 1zfs n ASP 46 Ca 0.38 0.15 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1zfs n ASP 46 Cb 0.49 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 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 7.47 0.00 -0.05 2.53 3.14 -1.26 -4.69 118.33 125.46 1zfs n VAL 47 Ca 0.43 -0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.79 1zfs n VAL 47 Cb 0.28 0.41 -0.01 0.00 -1.06 0.00 0.00 33.84 33.47 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 -0.34 1.45 4.20 -1.87 -3.36 115.11 115.19 1zfs h GLN 48 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1zfs h GLN 48 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1zfs h GLN 48 CO 0.00 0.00 0.22 1.57 -0.67 0.00 0.00 178.83 179.95 1zfs h LYS 49 N -0.92 0.44 -3.64 1.46 -0.00 -1.96 -3.24 116.57 108.73 1zfs h LYS 49 Ca 0.00 -0.03 -0.79 0.00 -0.00 0.00 0.00 60.65 59.84 1zfs h LYS 49 Cb 0.20 -0.10 -0.25 0.00 -0.00 0.00 0.00 32.23 32.07 1zfs h LYS 49 CO 0.00 0.29 0.80 -0.25 -0.00 0.00 0.00 179.45 180.29 1zfs n ASP 50 N -4.85 5.64 0.32 7.07 8.00 -1.26 -4.78 116.55 126.68 1zfs n ASP 50 Ca -0.01 -3.11 0.18 0.00 0.71 0.00 0.00 54.79 52.56 1zfs n ASP 50 Cb 0.02 -1.40 0.95 0.00 -0.02 0.00 0.00 41.12 40.67 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 6.41 1.17 0.00 2.24 0.00 -1.70 1.63 119.26 129.01 1zfs h ALA 51 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1zfs h ALA 51 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zfs h ALA 51 CO 1.17 -0.17 -0.52 -0.44 0.00 0.00 0.00 179.25 179.29 1zfs h ASP 52 N 0.00 0.00 -0.19 0.00 3.32 -1.89 -2.91 116.42 114.75 1zfs h ASP 52 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1zfs h ASP 52 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1zfs h ASP 52 CO 0.00 0.52 0.07 0.00 -1.72 0.00 0.00 179.24 178.11 1zfs h ALA 53 N 1.48 1.66 0.00 3.45 0.00 0.21 -1.96 119.26 124.10 1zfs h ALA 53 Ca -0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1zfs h ALA 53 Cb 1.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1zfs h ALA 53 CO 0.07 0.27 -0.95 -0.24 0.00 0.00 0.00 179.25 178.40 1zfs h VAL 54 N 0.35 1.64 -0.71 0.00 3.04 -1.50 -2.33 116.25 116.74 1zfs h VAL 54 Ca 0.09 -3.29 -0.07 0.00 -1.01 0.00 0.00 66.70 62.41 1zfs h VAL 54 Cb 0.12 2.80 -0.03 0.00 -2.01 0.00 0.00 31.29 32.17 1zfs h VAL 54 CO -0.01 0.93 0.16 -0.78 -1.01 0.00 0.00 177.57 176.86 1zfs h ASP 55 N 0.00 1.08 -0.34 3.17 1.82 -1.30 -2.38 116.42 118.48 1zfs h ASP 55 Ca -0.01 -0.24 -0.17 0.00 -0.39 0.00 0.00 57.03 56.22 1zfs h ASP 55 Cb 1.72 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 41.44 1zfs h ASP 55 CO 0.12 1.04 -0.46 0.11 -1.61 0.00 0.00 179.24 178.44 1zfs h LYS 56 N 1.07 0.91 -0.75 0.28 6.56 -1.47 -2.21 116.57 120.97 1zfs h LYS 56 Ca 0.22 -0.53 -0.06 0.00 -1.06 0.00 0.00 60.65 59.23 1zfs h LYS 56 Cb 0.39 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.06 1zfs h LYS 56 CO 0.00 1.17 0.25 0.97 -2.06 0.00 0.00 179.45 179.78 1zfs h ILE 57 N 0.73 1.26 0.07 1.86 6.09 -1.17 -2.80 117.51 123.54 1zfs h ILE 57 Ca 0.04 -0.90 -0.26 0.00 -1.37 0.00 0.00 64.86 62.37 1zfs h ILE 57 Cb 1.07 0.42 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 1zfs h ILE 57 CO 0.11 0.36 -1.27 0.00 -3.07 0.00 0.00 178.15 174.28 1zfs h MET 58 N 1.11 0.14 -0.62 2.19 -0.00 -1.47 -3.31 114.93 112.98 1zfs h MET 58 Ca 0.24 -0.24 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1zfs h MET 58 Cb 0.30 0.09 -0.03 0.00 -0.00 0.00 0.00 31.60 31.96 1zfs h MET 58 CO -0.01 1.05 0.41 -0.22 -0.00 0.00 0.00 176.91 178.13 1zfs h LYS 59 N 0.04 0.82 -0.57 -0.10 3.64 -1.28 0.93 116.57 120.05 1zfs h LYS 59 Ca -0.13 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 1zfs h LYS 59 Cb 1.91 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 1zfs h LYS 59 CO 0.16 0.55 -0.08 0.93 -2.27 0.00 0.00 179.45 178.73 1zfs h GLU 60 N 0.84 1.06 0.00 1.90 4.39 -1.62 -3.25 114.58 117.90 1zfs h GLU 60 Ca 0.23 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 1zfs h GLU 60 Cb -0.09 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1zfs h GLU 60 CO -0.05 1.08 -1.59 1.47 -1.16 0.00 0.00 179.01 178.75 1zfs n LEU 61 N -4.15 0.48 -1.96 1.33 -0.00 -1.13 -4.22 117.00 107.35 1zfs n LEU 61 Ca 0.02 0.20 -0.13 0.00 -0.00 0.00 0.00 56.01 56.10 1zfs n LEU 61 Cb 0.39 0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.79 1zfs n LEU 61 CO 0.45 0.04 1.41 -0.67 -0.00 0.00 0.00 177.39 178.62 1zfs n ASP 62 N -2.61 5.67 0.13 1.45 2.03 0.32 -4.45 116.55 119.10 1zfs n ASP 62 Ca -0.08 -2.68 0.07 0.00 0.52 0.00 0.00 54.79 52.62 1zfs n ASP 62 Cb 0.70 -1.27 0.40 0.00 -0.72 0.00 0.00 41.12 40.24 1zfs n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zfs n GLU 63 N 1.65 0.10 0.00 -0.67 1.02 -1.26 0.58 120.64 122.06 1zfs n GLU 63 Ca 0.32 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 58.15 1zfs n GLU 63 Cb 0.70 -1.92 0.64 0.00 -0.02 0.00 0.00 31.44 30.84 1zfs n GLU 63 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1zfs n ASN 64 N -2.02 0.00 -1.62 1.62 5.15 -1.26 -4.83 115.26 112.29 1zfs n ASN 64 Ca -0.01 -0.27 -0.06 0.00 -0.60 0.00 0.00 54.58 53.64 1zfs n ASN 64 Cb 0.13 -0.20 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 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 0.67 0.22 0.52 8.20 0.00 0.19 -4.71 105.19 110.28 1zfs n GLY 65 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.37 1.60 -0.02 1.61 5.75 -1.26 -4.87 116.55 118.99 1zfs n ASP 66 Ca -0.07 -1.58 -0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1zfs n ASP 66 Cb 0.32 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 1.17 0.03 3.14 6.12 0.00 -1.26 -4.88 105.19 109.50 1zfs n GLY 67 Ca 0.18 0.00 -0.19 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 -1.90 0.87 -0.06 1.61 2.02 -1.26 -3.20 118.70 116.77 1zfs s GLU 68 Ca 0.00 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.25 1zfs s GLU 68 Cb 0.00 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.34 1zfs s GLU 68 CO 0.00 0.21 -0.17 0.08 0.02 0.00 0.00 175.26 175.40 1zfs s VAL 69 N -0.94 2.79 -1.49 2.63 1.01 -0.95 -4.92 120.40 118.53 1zfs s VAL 69 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1zfs s VAL 69 Cb -0.08 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1zfs s VAL 69 CO 0.01 0.57 0.68 0.47 0.00 0.00 0.00 175.10 176.84 1zfs n ASP 70 N 2.66 0.47 0.00 3.32 8.00 -1.26 -2.08 116.55 127.65 1zfs n ASP 70 Ca -0.17 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1zfs n ASP 70 Cb 0.52 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.22 0.00 -0.37 1.24 7.35 -1.26 -4.35 117.46 119.85 1zfs n PHE 71 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1zfs n PHE 71 Cb 0.12 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.06 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 1.31 -0.99 -4.13 4.20 -2.01 -0.72 115.11 112.76 1zfs h GLN 72 Ca 0.00 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1zfs h GLN 72 Cb 0.00 -0.29 -0.05 0.00 0.30 0.00 0.00 27.48 27.44 1zfs h GLN 72 CO 0.00 0.87 0.65 0.93 -0.67 0.00 0.00 178.83 180.61 1zfs h GLU 73 N 1.35 1.32 -0.55 1.46 5.08 -1.95 -2.76 114.58 118.52 1zfs h GLU 73 Ca 0.36 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1zfs h GLU 73 Cb -0.15 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 28.78 1zfs h GLU 73 CO -0.08 0.88 0.36 0.35 -1.00 0.00 0.00 179.01 179.52 1zfs h PHE 74 N 1.35 0.70 -1.01 4.33 3.57 -1.49 -2.71 116.94 121.69 1zfs h PHE 74 Ca 0.36 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.89 1zfs h PHE 74 Cb -0.14 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.32 1zfs h PHE 74 CO 0.00 0.45 0.67 0.28 -2.23 0.00 0.00 178.31 177.47 1zfs h VAL 75 N 0.74 1.26 -0.48 1.41 2.07 -1.14 -2.45 116.25 117.66 1zfs h VAL 75 Ca 0.20 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1zfs h VAL 75 Cb -0.07 -0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.46 1zfs h VAL 75 CO -0.04 0.25 -0.23 0.58 0.02 0.00 0.00 177.57 178.14 1zfs h VAL 76 N 1.37 1.27 0.40 2.57 2.07 -1.44 -1.84 116.25 120.65 1zfs h VAL 76 Ca 0.37 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1zfs h VAL 76 Cb -0.16 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1zfs h VAL 76 CO -0.08 0.48 -0.19 0.25 0.02 0.00 0.00 177.57 178.05 1zfs h LEU 77 N 0.86 -0.46 -0.25 2.57 7.12 -1.18 -3.11 115.31 120.85 1zfs h LEU 77 Ca 0.11 -0.10 -0.09 0.00 0.13 0.00 0.00 57.88 57.93 1zfs h LEU 77 Cb 0.82 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.05 1zfs h LEU 77 CO 0.07 -0.03 -0.45 -0.37 -0.13 0.00 0.00 178.44 177.53 1zfs h VAL 78 N -1.03 0.82 -0.29 1.05 -1.51 -1.58 -2.90 116.25 110.82 1zfs h VAL 78 Ca -0.06 -1.99 -0.13 0.00 -1.23 0.00 0.00 66.70 63.29 1zfs h VAL 78 Cb 0.53 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1zfs h VAL 78 CO 0.09 0.44 -0.34 0.00 -1.23 0.00 0.00 177.57 176.53 1zfs h ALA 79 N 1.55 0.43 -0.37 5.19 0.00 -1.46 -2.63 119.26 121.98 1zfs h ALA 79 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1zfs h ALA 79 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1zfs h ALA 79 CO 0.06 0.49 -0.41 0.00 0.00 0.00 0.00 179.25 179.39 1zfs h ALA 80 N 0.70 0.55 -0.06 0.00 0.00 -1.59 -2.57 119.26 116.29 1zfs h ALA 80 Ca 0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1zfs h ALA 80 Cb 0.92 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1zfs h ALA 80 CO 0.08 0.67 0.01 1.25 0.00 0.00 0.00 179.25 181.27 1zfs h LEU 81 N 0.75 0.09 -0.55 0.00 7.12 -1.52 -2.50 115.31 118.72 1zfs h LEU 81 Ca 0.06 -0.26 -0.12 0.00 0.13 0.00 0.00 57.88 57.69 1zfs h LEU 81 Cb 1.01 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.09 1zfs h LEU 81 CO 0.10 0.33 -0.12 0.00 -0.13 0.00 0.00 178.44 178.62 1zfs h THR 82 N -0.14 1.27 -0.24 1.05 1.03 -1.54 -2.57 112.91 111.77 1zfs h THR 82 Ca 0.02 -1.28 -0.01 0.00 -0.01 0.00 0.00 66.41 65.12 1zfs h THR 82 Cb 0.27 0.97 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 1zfs h THR 82 CO 0.00 0.45 0.09 0.58 -0.01 0.00 0.00 175.52 176.64 1zfs h VAL 83 N 0.92 1.17 -0.96 0.00 2.07 -1.47 -2.49 116.25 115.49 1zfs h VAL 83 Ca 0.14 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1zfs h VAL 83 Cb 0.70 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1zfs h VAL 83 CO 0.05 0.17 0.58 0.00 0.02 0.00 0.00 177.57 178.40 1zfs h ALA 84 N 0.93 1.22 -0.76 1.67 0.00 -1.43 -2.71 119.26 118.18 1zfs h ALA 84 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1zfs h ALA 84 Cb 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1zfs h ALA 84 CO -0.01 0.67 0.24 0.00 0.00 0.00 0.00 179.25 180.16 1zfs h ASN 86 N 1.13 0.25 1.40 0.00 -0.73 -1.12 -1.12 115.58 115.38 1zfs h ASN 86 Ca 0.24 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1zfs h ASN 86 Cb 0.31 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.83 1zfs h ASN 86 CO -0.01 0.19 -0.08 -0.46 -0.37 0.00 0.00 177.43 176.70 1zfs n ASN 87 N -4.93 0.80 0.08 1.15 0.23 -1.19 -3.34 115.26 108.06 1zfs n ASN 87 Ca -0.03 0.52 0.12 0.00 -0.53 0.00 0.00 54.58 54.66 1zfs n ASN 87 Cb 0.03 -0.68 0.12 0.00 -2.08 0.00 0.00 39.78 37.17 1zfs n ASN 87 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1zfs h PHE 88 N 0.00 0.00 0.22 -2.53 3.57 -0.75 -2.85 116.94 114.60 1zfs h PHE 88 Ca 0.00 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.16 1zfs h PHE 88 Cb 0.74 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.50 1zfs h PHE 88 CO 0.00 0.00 -1.59 0.35 -2.23 0.00 0.00 178.31 174.84 1zfs h PHE 89 N 0.00 0.83 0.00 0.41 3.57 -1.22 -3.33 116.94 117.20 1zfs h PHE 89 Ca 0.00 -0.61 0.00 0.00 3.53 0.00 0.00 57.97 60.89 1zfs h PHE 89 Cb 0.82 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1zfs h PHE 89 CO 0.00 1.59 -0.84 -1.49 -2.23 0.00 0.00 178.31 175.34 1zfs h TRP 90 N 0.12 0.00 -0.58 0.41 6.55 -1.70 -3.23 115.95 117.54 1zfs h TRP 90 Ca -0.29 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.44 1zfs h TRP 90 Cb 2.13 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 30.41 1zfs h TRP 90 CO 0.11 0.00 -0.07 1.49 -1.05 0.00 0.00 178.44 178.92 1zfs h GLU 91 N 0.00 1.06 0.00 0.49 4.81 -1.63 -2.34 114.58 116.98 1zfs h GLU 91 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1zfs h GLU 91 Cb 0.89 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1zfs h GLU 91 CO 0.00 1.07 -0.19 0.09 -0.73 0.00 0.00 179.01 179.26 1zfs n ASN 92 N -4.15 0.48 0.00 1.04 3.02 -1.25 -5.11 115.26 109.28 1zfs n ASN 92 Ca 0.02 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1zfs n ASN 92 Cb 0.39 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1zfs n ASN 92 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40