#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 5.17 0.04 1.61 7.64 -1.26 -4.54 113.62 122.28 1zfs n SER 2 Ca 0.00 -3.03 -0.12 0.00 1.01 0.00 0.00 58.87 56.73 1zfs n SER 2 Cb 0.00 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 62.42 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 3.22 -0.01 -0.29 1.43 5.08 -2.06 1.98 114.58 123.94 1zfs h GLU 3 Ca 0.13 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 1zfs h GLU 3 Cb 2.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.37 1zfs h GLU 3 CO 0.60 -0.01 -0.53 1.25 -1.00 0.00 0.00 179.01 179.33 1zfs h LEU 4 N -0.01 0.94 -0.83 1.33 6.46 -2.01 -2.67 115.31 118.52 1zfs h LEU 4 Ca 0.00 -0.50 -0.04 0.00 -0.12 0.00 0.00 57.88 57.23 1zfs h LEU 4 Cb 0.01 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.63 1zfs h LEU 4 CO -0.00 1.29 0.37 -0.08 -0.62 0.00 0.00 178.44 179.40 1zfs h GLU 5 N 0.66 1.22 0.00 1.25 4.81 -1.71 -0.11 114.58 120.69 1zfs h GLU 5 Ca 0.02 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1zfs h GLU 5 Cb 1.13 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1zfs h GLU 5 CO 0.12 0.95 -0.04 1.15 -0.73 0.00 0.00 179.01 180.46 1zfs h THR 6 N 1.20 0.23 -0.21 0.32 2.02 0.33 -2.05 112.91 114.74 1zfs h THR 6 Ca 0.28 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1zfs h THR 6 Cb 0.16 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1zfs h THR 6 CO -0.03 0.04 -0.39 0.00 0.37 0.00 0.00 175.52 175.51 1zfs h ALA 7 N 1.96 0.92 0.12 6.16 0.00 -0.67 -2.32 119.26 125.42 1zfs h ALA 7 Ca -0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.21 1zfs h ALA 7 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1zfs h ALA 7 CO 0.01 0.63 -1.21 0.52 0.00 0.00 0.00 179.25 179.19 1zfs h MET 8 N 0.41 0.27 -0.31 0.00 2.86 -1.33 -3.13 114.93 113.69 1zfs h MET 8 Ca 0.04 -0.45 -0.15 0.00 -2.06 0.00 0.00 59.70 57.08 1zfs h MET 8 Cb 0.87 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1zfs h MET 8 CO 0.07 1.21 -0.40 0.93 1.06 0.00 0.00 176.91 179.78 1zfs h GLU 9 N 0.08 0.75 0.11 1.72 5.08 -1.48 -2.64 114.58 118.20 1zfs h GLU 9 Ca -0.13 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1zfs h GLU 9 Cb 1.94 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1zfs h GLU 9 CO 0.20 1.02 -0.05 0.00 -1.00 0.00 0.00 179.01 179.17 1zfs h THR 10 N 0.61 1.04 -0.09 1.13 1.03 -1.51 -2.33 112.91 112.80 1zfs h THR 10 Ca 0.05 -1.26 -0.04 0.00 -0.01 0.00 0.00 66.41 65.16 1zfs h THR 10 Cb 0.95 1.76 -0.01 0.00 -1.07 0.00 0.00 68.15 69.78 1zfs h THR 10 CO 0.09 0.27 -0.11 0.17 -0.01 0.00 0.00 175.52 175.93 1zfs h LEU 11 N -0.80 0.12 -0.88 0.00 8.10 -1.64 -1.37 115.31 118.83 1zfs h LEU 11 Ca -0.02 -0.02 -0.12 0.00 0.11 0.00 0.00 57.88 57.84 1zfs h LEU 11 Cb 0.56 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1zfs h LEU 11 CO 0.03 0.25 -0.48 0.40 -4.11 0.00 0.00 178.44 174.53 1zfs h ILE 12 N 0.13 1.34 -0.17 0.15 2.04 -1.50 -1.96 117.51 117.54 1zfs h ILE 12 Ca 0.03 -1.68 -0.10 0.00 1.00 0.00 0.00 64.86 64.11 1zfs h ILE 12 Cb 0.29 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1zfs h ILE 12 CO 0.02 0.49 -0.28 -1.13 0.00 0.00 0.00 178.15 177.26 1zfs h ASN 13 N 0.15 0.53 0.62 1.72 -1.24 -0.68 -2.24 115.58 114.44 1zfs h ASN 13 Ca 0.01 -0.53 -0.10 0.00 0.71 0.00 0.00 56.30 56.39 1zfs h ASN 13 Cb 0.90 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 1zfs h ASN 13 CO 0.07 0.96 -0.47 -0.37 -1.29 0.00 0.00 177.43 176.33 1zfs h VAL 14 N 0.12 1.20 -0.62 2.57 -1.51 -1.45 0.35 116.25 116.91 1zfs h VAL 14 Ca 0.01 -1.69 -0.06 0.00 -1.23 0.00 0.00 66.70 63.73 1zfs h VAL 14 Cb 0.86 1.95 -0.03 0.00 -2.13 0.00 0.00 31.29 31.94 1zfs h VAL 14 CO 0.06 0.46 0.16 0.15 -1.23 0.00 0.00 177.57 177.18 1zfs h PHE 15 N 0.00 1.04 -0.00 5.19 3.04 -1.22 -2.24 116.94 122.74 1zfs h PHE 15 Ca -0.00 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.83 1zfs h PHE 15 Cb 0.91 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1zfs h PHE 15 CO 0.00 0.86 -0.44 0.72 -2.02 0.00 0.00 178.31 177.44 1zfs n HIS 16 N -4.34 0.00 -0.02 0.41 8.25 -0.85 -2.08 115.22 116.58 1zfs n HIS 16 Ca 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 1zfs n HIS 16 Cb 0.24 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 1zfs n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zfs h ALA 17 N 3.11 0.31 0.02 -1.41 0.00 -0.33 -2.96 119.26 117.99 1zfs h ALA 17 Ca 0.00 -0.60 -0.40 0.00 0.00 0.00 0.00 54.91 53.91 1zfs h ALA 17 Cb 0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1zfs h ALA 17 CO 0.00 0.68 -2.37 -2.39 0.00 0.00 0.00 179.25 175.17 1zfs n HIS 18 N -3.94 0.22 0.10 0.00 1.44 -1.05 -4.00 115.22 107.99 1zfs n HIS 18 Ca -0.07 0.06 0.18 0.00 -2.01 0.00 0.00 57.72 55.88 1zfs n HIS 18 Cb 0.75 -1.03 0.74 0.00 0.12 0.00 0.00 29.99 30.57 1zfs n HIS 18 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 1zfs h SER 19 N -0.30 0.00 0.16 4.39 0.02 -1.58 1.21 113.55 117.45 1zfs h SER 19 Ca -0.58 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1zfs h SER 19 Cb 1.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1zfs h SER 19 CO -0.16 0.00 -0.07 0.61 -1.14 0.00 0.00 176.83 176.07 1zfs n GLY 20 N -1.53 -0.61 0.28 -3.77 0.00 -1.12 -3.47 105.19 94.96 1zfs n GLY 20 Ca 0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 1.11 0.99 -3.86 1.61 3.64 0.14 -3.33 116.57 116.86 1zfs h LYS 21 Ca 0.00 -0.44 -0.71 0.00 -1.27 0.00 0.00 60.65 58.22 1zfs h LYS 21 Cb 0.35 -0.02 -0.33 0.00 -0.41 0.00 0.00 32.23 31.82 1zfs h LYS 21 CO 0.00 1.12 -0.33 -1.21 -2.27 0.00 0.00 179.45 176.76 1zfs s GLU 22 N -4.62 2.62 0.07 1.90 0.41 -1.23 -4.89 118.70 112.96 1zfs s GLU 22 Ca -0.11 -2.30 0.25 0.00 -0.41 0.00 0.00 54.97 52.39 1zfs s GLU 22 Cb 0.12 -3.84 0.56 0.00 -1.78 0.00 0.00 34.13 29.19 1zfs s GLU 22 CO 0.87 -1.18 1.47 0.41 -0.49 0.00 0.00 175.26 176.35 1zfs n GLY 23 N 3.93 -1.40 0.08 -1.39 0.00 -1.25 -3.93 105.19 101.22 1zfs n GLY 23 Ca 0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1zfs n GLY 23 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1zfs h ASP 24 N 0.00 0.12 -3.35 1.61 1.82 -1.94 -3.39 116.42 111.30 1zfs h ASP 24 Ca 0.00 -0.01 -0.56 0.00 -0.39 0.00 0.00 57.03 56.07 1zfs h ASP 24 Cb 0.63 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 1zfs h ASP 24 CO 0.00 0.10 0.35 -1.59 -1.61 0.00 0.00 179.24 176.49 1zfs s LYS 25 N -6.16 4.46 -0.59 0.28 -2.85 -1.25 -4.93 119.74 108.70 1zfs s LYS 25 Ca -0.13 1.22 -0.03 0.00 -1.00 0.00 0.00 55.97 56.03 1zfs s LYS 25 Cb 0.07 -3.50 0.20 0.00 -2.06 0.00 0.00 37.83 32.54 1zfs s LYS 25 CO 0.68 -0.13 2.42 0.98 0.10 0.00 0.00 175.35 179.39 1zfs n TYR 26 N 4.36 2.17 -3.67 1.78 9.36 -1.26 -4.86 117.16 125.03 1zfs n TYR 26 Ca 0.05 -2.14 -0.08 0.00 3.32 0.00 0.00 57.90 59.04 1zfs n TYR 26 Cb 0.50 -1.29 -0.02 0.00 -0.63 0.00 0.00 39.34 37.90 1zfs n TYR 26 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1zfs s LYS 27 N -2.66 1.43 0.74 2.98 2.20 -1.26 -5.15 119.74 118.01 1zfs s LYS 27 Ca 0.55 -0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 55.35 1zfs s LYS 27 Cb 0.40 0.54 0.04 0.00 -1.51 0.00 0.00 37.83 37.31 1zfs s LYS 27 CO -0.26 -0.64 1.11 -1.17 -0.36 0.00 0.00 175.35 174.03 1zfs s LEU 28 N -2.83 2.76 0.16 5.43 2.96 -1.04 -4.92 118.68 121.21 1zfs s LEU 28 Ca 0.08 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1zfs s LEU 28 Cb -0.03 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1zfs s LEU 28 CO -0.02 -1.57 0.03 -0.55 -1.32 0.00 0.00 176.35 172.93 1zfs s SER 29 N -4.46 0.83 0.25 3.68 0.15 -1.26 -2.33 113.70 110.57 1zfs s SER 29 Ca 0.60 -1.21 -0.05 0.00 0.70 0.00 0.00 55.95 55.99 1zfs s SER 29 Cb -0.11 0.20 0.30 0.00 -1.71 0.00 0.00 66.02 64.70 1zfs s SER 29 CO 0.50 -0.65 1.92 0.50 1.20 0.00 0.00 173.24 176.70 1zfs h LYS 30 N 2.74 1.28 -0.02 5.44 3.64 -1.96 -2.54 116.57 125.14 1zfs h LYS 30 Ca -0.36 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 58.76 1zfs h LYS 30 Cb 1.21 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1zfs h LYS 30 CO 0.61 0.85 -0.77 -0.22 -2.27 0.00 0.00 179.45 177.64 1zfs h LYS 31 N 1.32 0.21 0.37 1.90 3.11 -1.96 -3.00 116.57 118.52 1zfs h LYS 31 Ca 0.39 -0.20 -0.02 0.00 -2.81 0.00 0.00 60.65 58.01 1zfs h LYS 31 Cb -0.07 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1zfs h LYS 31 CO -0.10 0.88 -0.18 0.93 -2.81 0.00 0.00 179.45 178.17 1zfs h GLU 32 N 0.13 -0.48 -0.26 1.90 5.08 -1.86 -2.50 114.58 116.59 1zfs h GLU 32 Ca -0.03 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1zfs h GLU 32 Cb 1.35 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1zfs h GLU 32 CO 0.12 -0.29 0.01 1.37 -1.00 0.00 0.00 179.01 179.21 1zfs h LEU 33 N -0.54 0.35 -0.85 1.33 8.10 -1.59 -2.58 115.31 119.52 1zfs h LEU 33 Ca -0.05 -0.05 -0.04 0.00 0.11 0.00 0.00 57.88 57.85 1zfs h LEU 33 Cb 0.41 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 40.50 1zfs h LEU 33 CO 0.08 0.40 0.38 0.50 -4.11 0.00 0.00 178.44 175.70 1zfs h LYS 34 N 0.37 1.22 -0.80 0.17 3.64 -1.34 -2.76 116.57 117.07 1zfs h LYS 34 Ca 0.09 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1zfs h LYS 34 Cb 0.24 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1zfs h LYS 34 CO 0.00 0.95 0.43 0.22 -2.27 0.00 0.00 179.45 178.78 1zfs h ASP 35 N 1.20 1.00 -0.82 4.20 3.58 -1.04 -2.61 116.42 121.94 1zfs h ASP 35 Ca 0.29 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 1zfs h ASP 35 Cb 0.14 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 1zfs h ASP 35 CO -0.03 0.82 0.34 -0.07 -2.88 0.00 0.00 179.24 177.42 1zfs h LEU 36 N 1.11 1.11 0.09 2.28 3.38 -1.44 -0.64 115.31 121.20 1zfs h LEU 36 Ca 0.28 -0.16 -0.27 0.00 0.09 0.00 0.00 57.88 57.82 1zfs h LEU 36 Cb 0.04 -0.29 0.03 0.00 0.09 0.00 0.00 40.66 40.53 1zfs h LEU 36 CO -0.04 0.97 -1.10 -0.07 0.09 0.00 0.00 178.44 178.29 1zfs h LEU 37 N 1.18 0.82 -1.09 1.67 3.38 -1.42 -2.99 115.31 116.87 1zfs h LEU 37 Ca 0.27 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1zfs h LEU 37 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1zfs h LEU 37 CO -0.03 1.54 0.00 0.06 0.09 0.00 0.00 178.44 180.10 1zfs h GLN 38 N 0.20 0.00 0.11 1.13 3.07 -1.45 1.13 115.11 119.30 1zfs h GLN 38 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1zfs h GLN 38 Cb 1.79 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.35 1zfs h GLN 38 CO 0.21 0.00 -0.05 1.79 0.09 0.00 0.00 178.83 180.87 1zfs h THR 39 N 0.00 0.26 0.00 1.86 1.35 -1.09 -3.38 112.91 111.91 1zfs h THR 39 Ca 0.00 -1.06 -0.15 0.00 -0.55 0.00 0.00 66.41 64.65 1zfs h THR 39 Cb 0.64 0.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 1zfs h THR 39 CO 0.00 0.08 -1.63 -0.62 -0.25 0.00 0.00 175.52 173.10 1zfs n GLU 40 N -4.86 2.22 -0.88 4.72 1.02 -1.13 -4.67 120.64 117.06 1zfs n GLU 40 Ca -0.03 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 1zfs n GLU 40 Cb 0.12 -1.24 0.20 0.00 -0.02 0.00 0.00 31.44 30.50 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 -2.30 4.64 -0.09 -4.62 4.32 -0.25 -4.72 117.00 113.99 1zfs n LEU 41 Ca -0.14 -3.72 -0.09 0.00 -0.02 0.00 0.00 56.01 52.04 1zfs n LEU 41 Cb 0.75 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.86 1zfs n LEU 41 CO 0.20 1.20 1.00 -1.28 -1.22 0.00 0.00 177.39 177.29 1zfs h SER 42 N 1.06 0.35 -0.71 -1.43 0.87 0.11 -0.68 113.55 113.12 1zfs h SER 42 Ca 0.29 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1zfs h SER 42 Cb 1.89 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.73 1zfs h SER 42 CO 0.52 0.25 0.16 -1.28 -0.53 0.00 0.00 176.83 175.95 1zfs h SER 43 N 0.42 1.08 0.00 6.23 0.87 -1.84 -3.33 113.55 116.98 1zfs h SER 43 Ca 0.11 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1zfs h SER 43 Cb -0.04 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.63 1zfs h SER 43 CO -0.03 1.04 -0.00 -0.26 -0.53 0.00 0.00 176.83 177.06 1zfs h PHE 44 N 1.08 -0.00 -1.98 2.24 0.04 -1.86 -3.41 116.94 113.05 1zfs h PHE 44 Ca 0.22 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.40 1zfs h PHE 44 Cb 0.39 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.43 1zfs h PHE 44 CO 0.03 -0.00 1.11 -0.51 -0.60 0.00 0.00 178.31 178.34 1zfs s LEU 45 N -4.00 3.68 0.38 1.54 1.43 -0.28 -4.98 118.68 116.46 1zfs s LEU 45 Ca -0.00 -1.06 -0.28 0.00 -1.03 0.00 0.00 54.13 51.76 1zfs s LEU 45 Cb 0.00 -2.52 -0.11 0.00 0.03 0.00 0.00 46.19 43.59 1zfs s LEU 45 CO 0.00 -1.58 1.50 -1.81 0.23 0.00 0.00 176.35 174.69 1zfs s ASP 46 N 4.15 6.30 0.03 2.29 1.01 -1.25 -4.47 116.67 124.73 1zfs s ASP 46 Ca 0.37 3.08 0.00 0.00 0.71 0.00 0.00 52.55 56.70 1zfs s ASP 46 Cb -0.06 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1zfs s ASP 46 CO 0.03 -0.91 0.00 0.55 0.21 0.00 0.00 175.17 175.05 1zfs n VAL 47 N 0.41 0.00 -0.33 -1.27 3.14 -1.26 -4.87 118.33 114.15 1zfs n VAL 47 Ca 0.01 0.00 0.25 0.00 -2.96 0.00 0.00 64.34 61.64 1zfs n VAL 47 Cb 0.39 0.00 0.49 0.00 -1.06 0.00 0.00 33.84 33.66 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 0.22 -0.18 1.45 3.07 -1.90 0.39 115.11 118.17 1zfs h GLN 48 Ca 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 1zfs h GLN 48 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1zfs h GLN 48 CO 0.00 0.15 -0.47 1.57 0.09 0.00 0.00 178.83 180.17 1zfs h LYS 49 N 0.23 0.63 -3.67 0.06 2.10 -1.96 -3.36 116.57 110.59 1zfs h LYS 49 Ca 0.75 -0.44 -0.76 0.00 -2.00 0.00 0.00 60.65 58.19 1zfs h LYS 49 Cb 1.77 0.07 -0.29 0.00 -0.90 0.00 0.00 32.23 32.88 1zfs h LYS 49 CO -0.66 1.06 0.06 -0.51 -2.00 0.00 0.00 179.45 177.40 1zfs s ASP 50 N -6.70 6.50 0.59 7.07 1.01 0.14 -4.87 116.67 120.41 1zfs s ASP 50 Ca -0.12 -3.02 0.31 0.00 0.71 0.00 0.00 52.55 50.43 1zfs s ASP 50 Cb 0.07 -2.11 1.83 0.00 1.01 0.00 0.00 42.92 43.72 1zfs s ASP 50 CO 0.84 -0.43 2.24 0.00 0.21 0.00 0.00 175.17 178.02 1zfs h ALA 51 N 7.22 1.41 0.00 5.23 0.00 -1.70 0.32 119.26 131.73 1zfs h ALA 51 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1zfs h ALA 51 Cb 0.97 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1zfs h ALA 51 CO 0.80 0.03 -0.18 -0.44 0.00 0.00 0.00 179.25 179.47 1zfs h ASP 52 N 0.00 0.00 -0.39 0.00 3.32 -1.89 -2.68 116.42 114.78 1zfs h ASP 52 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1zfs h ASP 52 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1zfs h ASP 52 CO 0.00 0.18 -0.14 0.00 -1.72 0.00 0.00 179.24 177.56 1zfs h ALA 53 N 1.82 0.88 0.00 3.45 0.00 -0.66 -2.35 119.26 122.41 1zfs h ALA 53 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1zfs h ALA 53 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1zfs h ALA 53 CO 0.02 0.63 -0.48 -0.24 0.00 0.00 0.00 179.25 179.19 1zfs h VAL 54 N 0.77 1.30 -0.53 0.00 3.04 -1.46 -2.64 116.25 116.73 1zfs h VAL 54 Ca 0.12 -1.67 -0.10 0.00 -1.01 0.00 0.00 66.70 64.04 1zfs h VAL 54 Cb 0.66 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.84 1zfs h VAL 54 CO 0.05 0.47 -0.05 -0.78 -1.01 0.00 0.00 177.57 176.25 1zfs h ASP 55 N 0.00 0.92 -0.42 3.17 1.82 -1.32 -2.31 116.42 118.28 1zfs h ASP 55 Ca -0.00 -0.27 -0.12 0.00 -0.39 0.00 0.00 57.03 56.24 1zfs h ASP 55 Cb 0.87 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1zfs h ASP 55 CO 0.06 1.00 -0.21 0.07 -1.61 0.00 0.00 179.24 178.56 1zfs h LYS 56 N 0.85 0.92 0.00 0.28 2.10 -1.13 -1.99 116.57 117.59 1zfs h LYS 56 Ca 0.15 -0.38 -0.19 0.00 -2.00 0.00 0.00 60.65 58.23 1zfs h LYS 56 Cb 0.57 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.84 1zfs h LYS 56 CO 0.03 1.04 -0.91 -0.84 -2.00 0.00 0.00 179.45 176.77 1zfs h ILE 57 N 0.80 1.55 0.00 0.07 3.07 -1.38 -3.11 117.51 118.51 1zfs h ILE 57 Ca 0.11 -3.20 -0.15 0.00 1.55 0.00 0.00 64.86 63.17 1zfs h ILE 57 Cb 0.76 2.77 -0.02 0.00 -0.27 0.00 0.00 36.82 40.06 1zfs h ILE 57 CO 0.06 0.88 -0.75 0.00 -1.05 0.00 0.00 178.15 177.30 1zfs h MET 58 N 0.00 0.00 -0.21 0.16 -0.00 -1.44 -3.17 114.93 110.27 1zfs h MET 58 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.66 1zfs h MET 58 Cb 1.70 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.29 1zfs h MET 58 CO 0.12 0.69 0.02 -0.22 -0.00 0.00 0.00 176.91 177.51 1zfs h LYS 59 N 0.00 0.36 -1.00 -0.10 3.64 -1.37 1.50 116.57 119.60 1zfs h LYS 59 Ca -0.02 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1zfs h LYS 59 Cb 1.55 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.29 1zfs h LYS 59 CO 0.09 0.53 0.66 1.49 -2.27 0.00 0.00 179.45 179.95 1zfs h GLU 60 N 0.14 1.32 0.25 1.90 4.57 -1.62 1.13 114.58 122.27 1zfs h GLU 60 Ca 0.06 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1zfs h GLU 60 Cb 0.36 -0.30 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1zfs h GLU 60 CO 0.01 0.88 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.52 1zfs h LEU 61 N 1.36 -0.29 -1.82 1.64 4.07 -1.45 -3.19 115.31 115.63 1zfs h LEU 61 Ca 0.37 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.20 1zfs h LEU 61 Cb -0.15 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1zfs h LEU 61 CO -0.08 0.20 0.04 0.47 -1.08 0.00 0.00 178.44 178.00 1zfs n ASP 62 N -5.00 2.40 0.30 -0.43 8.00 0.51 -4.27 116.55 118.06 1zfs n ASP 62 Ca -0.06 -2.16 0.11 0.00 0.71 0.00 0.00 54.79 53.39 1zfs n ASP 62 Cb 0.19 -0.53 0.59 0.00 -0.02 0.00 0.00 41.12 41.34 1zfs n ASP 62 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1zfs h GLU 63 N 0.29 0.00 0.00 -1.24 4.11 0.13 0.37 114.58 118.25 1zfs h GLU 63 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1zfs h GLU 63 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1zfs h GLU 63 CO 0.10 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.47 1zfs n ASN 64 N -2.66 0.00 -1.14 3.06 2.85 -1.26 -4.82 115.26 111.29 1zfs n ASN 64 Ca -0.01 -1.07 -0.04 0.00 -0.11 0.00 0.00 54.58 53.35 1zfs n ASN 64 Cb 0.48 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.51 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1zfs n GLY 65 N 0.34 0.58 2.56 8.20 0.00 0.13 -5.03 105.19 111.98 1zfs n GLY 65 Ca 0.09 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1zfs n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zfs s ASP 66 N -3.11 2.89 0.00 1.61 -4.77 -1.17 -4.99 116.67 107.13 1zfs s ASP 66 Ca 0.07 -1.53 0.00 0.00 -3.30 0.00 0.00 52.55 47.79 1zfs s ASP 66 Cb -0.03 -0.17 0.00 0.00 -1.09 0.00 0.00 42.92 41.63 1zfs s ASP 66 CO 0.12 -0.38 0.00 0.61 0.70 0.00 0.00 175.17 176.23 1zfs n GLY 67 N 4.79 0.00 3.00 2.12 0.00 -1.26 -4.42 105.19 109.42 1zfs n GLY 67 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 0.20 1.68 0.21 1.61 2.02 -1.26 -3.23 118.70 119.93 1zfs s GLU 68 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 54.97 54.58 1zfs s GLU 68 Cb 0.00 -1.44 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 1zfs s GLU 68 CO 0.00 -0.02 0.42 0.08 0.02 0.00 0.00 175.26 175.76 1zfs s VAL 69 N 0.84 5.17 -1.00 2.63 1.01 -0.98 -4.78 120.40 123.28 1zfs s VAL 69 Ca -0.11 -0.25 0.14 0.00 0.00 0.00 0.00 61.98 61.76 1zfs s VAL 69 Cb -0.15 -3.72 0.60 0.00 0.00 0.00 0.00 36.38 33.11 1zfs s VAL 69 CO 0.02 -0.19 1.47 -0.67 0.00 0.00 0.00 175.10 175.73 1zfs n ASP 70 N -0.66 4.17 0.00 3.32 -0.08 -1.26 -2.49 116.55 119.55 1zfs n ASP 70 Ca -0.04 -2.46 0.00 0.00 -1.51 0.00 0.00 54.79 50.78 1zfs n ASP 70 Cb 0.54 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.44 1zfs n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1zfs n PHE 71 N 0.77 0.00 -0.34 -0.67 3.72 -1.26 -4.56 117.46 115.12 1zfs n PHE 71 Ca 0.21 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.60 1zfs n PHE 71 Cb 0.82 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.50 1zfs n PHE 71 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1zfs h GLN 72 N 0.00 1.25 -1.00 -1.08 4.15 -2.01 -2.05 115.11 114.38 1zfs h GLN 72 Ca 0.00 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.35 1zfs h GLN 72 Cb 0.00 -0.28 -0.05 0.00 0.21 0.00 0.00 27.48 27.36 1zfs h GLN 72 CO 0.00 0.83 0.66 0.93 -1.93 0.00 0.00 178.83 179.32 1zfs h GLU 73 N 1.29 1.32 0.05 1.69 5.08 -1.97 -3.03 114.58 119.00 1zfs h GLU 73 Ca 0.35 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1zfs h GLU 73 Cb -0.14 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.81 1zfs h GLU 73 CO -0.07 0.88 -0.02 0.35 -1.00 0.00 0.00 179.01 179.14 1zfs h PHE 74 N 1.36 -0.06 -0.87 4.33 3.57 -1.75 -3.14 116.94 120.38 1zfs h PHE 74 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1zfs h PHE 74 Cb -0.15 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1zfs h PHE 74 CO 0.00 0.35 0.57 -0.24 -2.23 0.00 0.00 178.31 176.76 1zfs h VAL 75 N -0.49 1.22 -0.67 1.41 3.04 -1.46 -2.60 116.25 116.71 1zfs h VAL 75 Ca -0.01 -0.40 -0.08 0.00 -1.01 0.00 0.00 66.70 65.20 1zfs h VAL 75 Cb 0.44 -0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 29.64 1zfs h VAL 75 CO 0.01 0.21 0.09 0.58 -1.01 0.00 0.00 177.57 177.46 1zfs h VAL 76 N 1.18 1.27 0.51 1.51 2.07 -1.59 -1.72 116.25 119.46 1zfs h VAL 76 Ca 0.32 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1zfs h VAL 76 Cb -0.14 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1zfs h VAL 76 CO -0.07 0.40 -0.24 0.25 0.02 0.00 0.00 177.57 177.93 1zfs h LEU 77 N 1.04 -0.58 -1.30 2.57 5.85 -1.42 -3.04 115.31 118.43 1zfs h LEU 77 Ca 0.20 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1zfs h LEU 77 Cb 0.46 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1zfs h LEU 77 CO 0.02 -0.18 -0.19 -0.37 -0.34 0.00 0.00 178.44 177.38 1zfs h VAL 78 N -1.10 0.52 -0.26 1.05 -1.51 -1.61 -3.10 116.25 110.24 1zfs h VAL 78 Ca -0.07 -0.97 -0.10 0.00 -1.23 0.00 0.00 66.70 64.33 1zfs h VAL 78 Cb 0.59 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1zfs h VAL 78 CO 0.11 0.19 -0.24 0.00 -1.23 0.00 0.00 177.57 176.40 1zfs h ALA 79 N 1.81 0.38 -0.44 5.19 0.00 -1.37 -2.68 119.26 122.14 1zfs h ALA 79 Ca -0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1zfs h ALA 79 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1zfs h ALA 79 CO 0.02 0.36 -0.25 0.00 0.00 0.00 0.00 179.25 179.38 1zfs h ALA 80 N 0.69 0.72 -0.53 0.00 0.00 -1.46 -2.76 119.26 115.91 1zfs h ALA 80 Ca 0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1zfs h ALA 80 Cb 0.80 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1zfs h ALA 80 CO 0.06 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.77 1zfs h LEU 81 N 0.80 1.03 -0.13 0.00 -0.00 -1.56 -2.57 115.31 112.87 1zfs h LEU 81 Ca 0.10 -0.36 -0.06 0.00 -0.00 0.00 0.00 57.88 57.57 1zfs h LEU 81 Cb 0.81 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1zfs h LEU 81 CO 0.07 1.16 -0.13 0.71 -0.00 0.00 0.00 178.44 180.24 1zfs h THR 82 N 0.90 1.35 -0.83 0.22 1.35 -1.45 -2.47 112.91 111.98 1zfs h THR 82 Ca 0.13 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.66 1zfs h THR 82 Cb 0.71 1.91 -0.04 0.00 -1.73 0.00 0.00 68.15 69.00 1zfs h THR 82 CO 0.05 0.38 0.37 1.62 -0.25 0.00 0.00 175.52 177.69 1zfs h VAL 83 N -0.06 1.26 -0.91 6.82 3.04 -1.54 -2.57 116.25 122.29 1zfs h VAL 83 Ca 0.02 -0.78 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 1zfs h VAL 83 Cb 0.66 0.22 -0.04 0.00 -2.01 0.00 0.00 31.29 30.12 1zfs h VAL 83 CO 0.03 0.33 0.51 0.00 -1.01 0.00 0.00 177.57 177.43 1zfs h ALA 84 N 1.20 1.18 -0.62 3.17 0.00 -1.44 -2.76 119.26 119.99 1zfs h ALA 84 Ca 0.28 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1zfs h ALA 84 Cb 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1zfs h ALA 84 CO -0.03 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.91 1zfs h ASN 86 N 0.99 1.15 0.68 0.00 -0.73 -1.23 -1.07 115.58 115.37 1zfs h ASN 86 Ca 0.18 -0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.24 1zfs h ASN 86 Cb 0.54 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1zfs h ASN 86 CO 0.03 0.83 -0.39 0.78 -0.37 0.00 0.00 177.43 178.31 1zfs h ASN 87 N 1.35 0.00 -0.58 1.15 2.35 -1.26 -2.75 115.58 115.84 1zfs h ASN 87 Ca 0.37 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.12 1zfs h ASN 87 Cb -0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1zfs h ASN 87 CO -0.08 0.39 0.38 0.15 -1.65 0.00 0.00 177.43 176.62 1zfs h PHE 88 N 0.00 0.73 0.00 1.19 3.57 -0.41 -1.51 116.94 120.51 1zfs h PHE 88 Ca -0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1zfs h PHE 88 Cb 0.84 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1zfs h PHE 88 CO 0.00 0.46 -0.27 0.74 -2.23 0.00 0.00 178.31 177.00 1zfs h PHE 89 N 0.79 0.00 0.00 0.41 0.04 -1.43 -2.90 116.94 113.85 1zfs h PHE 89 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1zfs h PHE 89 Cb -0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1zfs h PHE 89 CO -0.03 0.27 0.00 2.35 -0.60 0.00 0.00 178.31 180.30 1zfs h TRP 90 N 0.00 0.00 -0.95 -0.55 2.91 -1.00 -2.99 115.95 113.37 1zfs h TRP 90 Ca -0.00 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.03 1zfs h TRP 90 Cb 1.05 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.65 1zfs h TRP 90 CO 0.00 0.00 0.63 1.49 -1.03 0.00 0.00 178.44 179.53 1zfs h GLU 91 N 0.00 1.25 -1.01 2.65 4.22 -1.18 -1.99 114.58 118.53 1zfs h GLU 91 Ca 0.00 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.38 1zfs h GLU 91 Cb 0.46 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1zfs h GLU 91 CO 0.00 0.83 0.67 -0.91 -2.18 0.00 0.00 179.01 177.42 1zfs h ASN 92 N 1.29 1.16 0.00 1.04 2.35 -1.73 -3.53 115.58 116.16 1zfs h ASN 92 Ca 0.35 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1zfs h ASN 92 Cb -0.14 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 37.94 1zfs h ASN 92 CO -0.08 0.83 0.00 -0.24 -1.65 0.00 0.00 177.43 176.30