#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 -4.79 113.62 116.74 1zfs n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1zfs n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.20 0.47 -0.38 1.43 1.02 -1.26 -4.03 120.64 116.69 1zfs n GLU 3 Ca 0.00 0.19 -0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1zfs n GLU 3 Cb 0.00 -1.32 0.11 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 -0.88 1.16 -0.83 -4.62 6.46 -2.00 -1.21 115.31 113.38 1zfs h LEU 4 Ca -0.08 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1zfs h LEU 4 Cb 0.97 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1zfs h LEU 4 CO -0.05 0.84 0.36 -0.08 -0.62 0.00 0.00 178.44 178.89 1zfs h GLU 5 N 1.37 1.22 0.00 1.25 4.81 -1.90 0.36 114.58 121.68 1zfs h GLU 5 Ca 0.37 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1zfs h GLU 5 Cb -0.16 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.01 1zfs h GLU 5 CO -0.08 0.96 -0.03 1.15 -0.73 0.00 0.00 179.01 180.28 1zfs h THR 6 N 1.19 0.34 -0.39 0.32 2.02 -1.39 -1.50 112.91 113.51 1zfs h THR 6 Ca 0.28 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 1zfs h THR 6 Cb 0.17 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1zfs h THR 6 CO -0.03 0.03 -0.23 0.00 0.37 0.00 0.00 175.52 175.65 1zfs h ALA 7 N 1.97 0.86 0.09 6.16 0.00 -0.10 -2.14 119.26 126.10 1zfs h ALA 7 Ca -0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.27 1zfs h ALA 7 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1zfs h ALA 7 CO 0.00 0.63 -1.25 0.52 0.00 0.00 0.00 179.25 179.15 1zfs h MET 8 N 0.67 0.18 0.00 0.00 2.07 -1.23 -3.13 114.93 113.50 1zfs h MET 8 Ca 0.09 -0.31 -0.11 0.00 -2.07 0.00 0.00 59.70 57.30 1zfs h MET 8 Cb 0.75 0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.58 1zfs h MET 8 CO 0.06 1.11 -0.54 1.05 1.07 0.00 0.00 176.91 179.66 1zfs h GLU 9 N 0.05 0.00 0.00 1.72 -0.00 -1.42 -2.75 114.58 112.18 1zfs h GLU 9 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.23 1zfs h GLU 9 Cb 1.93 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.68 1zfs h GLU 9 CO 0.17 0.54 -0.00 0.00 -0.00 0.00 0.00 179.01 179.72 1zfs h THR 10 N 0.00 1.43 0.00 -1.06 1.03 -1.46 -2.78 112.91 110.07 1zfs h THR 10 Ca -0.01 -2.07 -0.01 0.00 -0.01 0.00 0.00 66.41 64.31 1zfs h THR 10 Cb 0.96 2.70 -0.00 0.00 -1.07 0.00 0.00 68.15 70.73 1zfs h THR 10 CO 0.07 0.48 -0.05 0.17 -0.01 0.00 0.00 175.52 176.18 1zfs h LEU 11 N -1.00 0.00 -0.49 0.00 8.10 -1.63 -1.39 115.31 118.89 1zfs h LEU 11 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 1zfs h LEU 11 Cb 0.80 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.01 1zfs h LEU 11 CO -0.00 0.05 -0.55 0.40 -4.11 0.00 0.00 178.44 174.23 1zfs h ILE 12 N 0.00 1.32 -0.18 0.15 2.04 -1.56 -1.93 117.51 117.34 1zfs h ILE 12 Ca -0.00 -1.80 -0.07 0.00 1.00 0.00 0.00 64.86 63.99 1zfs h ILE 12 Cb 0.10 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1zfs h ILE 12 CO 0.01 0.56 -0.18 -1.13 0.00 0.00 0.00 178.15 177.41 1zfs h ASN 13 N 0.44 0.47 0.44 1.72 -1.24 -0.97 -2.10 115.58 114.35 1zfs h ASN 13 Ca 0.01 -0.48 -0.11 0.00 0.71 0.00 0.00 56.30 56.43 1zfs h ASN 13 Cb 1.10 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 1zfs h ASN 13 CO 0.11 0.85 -0.51 -0.37 -1.29 0.00 0.00 177.43 176.22 1zfs h VAL 14 N 0.10 1.36 -0.83 2.57 -1.51 -1.51 -0.10 116.25 116.32 1zfs h VAL 14 Ca 0.03 -1.75 -0.04 0.00 -1.23 0.00 0.00 66.70 63.71 1zfs h VAL 14 Cb 0.72 1.91 -0.04 0.00 -2.13 0.00 0.00 31.29 31.75 1zfs h VAL 14 CO 0.04 0.50 0.36 0.15 -1.23 0.00 0.00 177.57 177.40 1zfs h PHE 15 N 0.06 1.23 -0.00 5.19 3.57 -1.21 -1.33 116.94 124.45 1zfs h PHE 15 Ca -0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1zfs h PHE 15 Cb 0.92 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1zfs h PHE 15 CO 0.01 0.91 -0.33 0.72 -2.23 0.00 0.00 178.31 177.38 1zfs n HIS 16 N -4.29 0.00 0.08 0.41 8.25 -0.80 -1.86 115.22 117.00 1zfs n HIS 16 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 1zfs n HIS 16 Cb 0.16 -0.30 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 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 3.09 0.11 0.00 -1.41 0.00 0.12 -3.32 119.26 117.84 1zfs h ALA 17 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1zfs h ALA 17 Cb 0.49 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zfs h ALA 17 CO 0.00 0.73 -1.75 0.72 0.00 0.00 0.00 179.25 178.96 1zfs n HIS 18 N -3.78 0.00 0.24 0.00 8.25 -0.96 -4.27 115.22 114.71 1zfs n HIS 18 Ca -0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.47 1zfs n HIS 18 Cb 0.94 -0.39 0.56 0.00 1.12 0.00 0.00 29.99 32.22 1zfs n HIS 18 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1zfs h SER 19 N 0.00 0.00 -0.12 0.41 0.02 -1.52 -3.11 113.55 109.22 1zfs h SER 19 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1zfs h SER 19 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1zfs h SER 19 CO 0.00 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 176.45 1zfs n GLY 20 N -0.01 0.64 0.08 -3.77 0.00 -1.25 -3.46 105.19 97.42 1zfs n GLY 20 Ca -0.00 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1zfs n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1zfs h LYS 21 N 2.61 0.00 -0.01 1.61 1.57 -1.72 -3.30 116.57 117.32 1zfs h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zfs h LYS 21 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1zfs h LYS 21 CO 0.00 0.00 -0.49 0.39 -0.57 0.00 0.00 179.45 178.78 1zfs n GLU 22 N -2.25 1.13 0.00 3.15 -0.58 -1.26 -4.96 120.64 115.87 1zfs n GLU 22 Ca 0.03 -0.93 0.00 0.00 -0.42 0.00 0.00 57.16 55.84 1zfs n GLU 22 Cb 0.46 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.42 2.95 2.78 0.62 0.00 -1.25 -4.90 105.19 106.81 1zfs n GLY 23 Ca 0.09 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1zfs n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zfs n ASP 24 N 0.65 4.13 0.01 1.61 -0.08 -1.26 -4.42 116.55 117.19 1zfs n ASP 24 Ca 0.00 -2.48 0.14 0.00 -1.51 0.00 0.00 54.79 50.94 1zfs n ASP 24 Cb 0.00 -1.14 0.61 0.00 2.34 0.00 0.00 41.12 42.93 1zfs n ASP 24 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1zfs n LYS 25 N 5.26 0.02 0.00 -0.67 4.81 -1.22 -3.11 118.16 123.23 1zfs n LYS 25 Ca 0.47 0.01 0.13 0.00 -0.87 0.00 0.00 58.31 58.06 1zfs n LYS 25 Cb 0.24 -1.52 0.61 0.00 0.02 0.00 0.00 35.03 34.38 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 -1.55 0.00 -4.00 5.64 4.01 -1.26 -4.91 117.16 115.09 1zfs n TYR 26 Ca 0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 1zfs n TYR 26 Cb 0.35 -0.42 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1zfs n TYR 26 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1zfs n LYS 27 N -1.42 0.22 -2.20 -0.72 2.85 -1.18 -5.05 118.16 110.66 1zfs n LYS 27 Ca 0.09 -0.84 -0.28 0.00 -1.05 0.00 0.00 58.31 56.23 1zfs n LYS 27 Cb 0.28 1.35 0.04 0.00 -0.65 0.00 0.00 35.03 36.05 1zfs n LYS 27 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1zfs s LEU 28 N 0.00 3.08 0.21 -5.58 2.96 -0.55 -4.82 118.68 113.98 1zfs s LEU 28 Ca 0.30 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1zfs s LEU 28 Cb -0.01 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1zfs s LEU 28 CO -0.00 -1.21 0.04 -0.94 -1.32 0.00 0.00 176.35 172.92 1zfs s SER 29 N -4.34 1.23 0.25 3.68 1.04 -1.26 -1.88 113.70 112.42 1zfs s SER 29 Ca 0.56 -1.27 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 1zfs s SER 29 Cb -0.11 0.13 0.26 0.00 0.10 0.00 0.00 66.02 66.41 1zfs s SER 29 CO 0.47 -0.64 1.93 0.50 0.98 0.00 0.00 173.24 176.48 1zfs h LYS 30 N 2.54 1.32 0.02 4.02 3.64 -1.94 -2.54 116.57 123.64 1zfs h LYS 30 Ca -0.37 -0.08 -0.22 0.00 -1.27 0.00 0.00 60.65 58.71 1zfs h LYS 30 Cb 1.22 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1zfs h LYS 30 CO 0.62 0.88 -0.96 -0.22 -2.27 0.00 0.00 179.45 177.50 1zfs h LYS 31 N 1.36 0.26 -0.50 1.90 1.63 -1.97 -3.10 116.57 116.16 1zfs h LYS 31 Ca 0.37 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1zfs h LYS 31 Cb -0.15 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1zfs h LYS 31 CO -0.08 1.04 0.24 0.93 -3.45 0.00 0.00 179.45 178.13 1zfs h GLU 32 N 0.14 0.71 0.00 1.90 5.08 -1.81 -2.50 114.58 118.09 1zfs h GLU 32 Ca -0.07 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1zfs h GLU 32 Cb 1.61 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1zfs h GLU 32 CO 0.15 0.60 -0.43 1.37 -1.00 0.00 0.00 179.01 179.70 1zfs h LEU 33 N 0.66 0.00 -1.01 1.33 8.10 -1.53 -2.93 115.31 119.92 1zfs h LEU 33 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.17 1zfs h LEU 33 Cb 0.12 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.29 1zfs h LEU 33 CO -0.02 0.43 0.67 0.50 -4.11 0.00 0.00 178.44 175.90 1zfs h LYS 34 N 0.00 1.33 -0.31 0.17 1.63 -1.37 -2.52 116.57 115.50 1zfs h LYS 34 Ca -0.00 -0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.53 1zfs h LYS 34 Cb 0.83 -0.30 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1zfs h LYS 34 CO 0.06 0.88 -0.52 -0.44 -3.45 0.00 0.00 179.45 175.98 1zfs h ASP 35 N 1.37 0.99 -0.82 4.20 3.32 -1.40 -2.36 116.42 121.73 1zfs h ASP 35 Ca 0.37 -0.52 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1zfs h ASP 35 Cb -0.15 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.07 1zfs h ASP 35 CO -0.08 1.32 0.54 -0.07 -1.72 0.00 0.00 179.24 179.24 1zfs h LEU 36 N 0.70 0.94 0.10 1.55 3.38 -1.39 0.33 115.31 120.92 1zfs h LEU 36 Ca 0.02 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1zfs h LEU 36 Cb 1.13 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 41.67 1zfs h LEU 36 CO 0.12 0.68 -1.21 -0.07 0.09 0.00 0.00 178.44 178.04 1zfs h LEU 37 N 1.11 0.89 -1.49 1.67 3.38 -1.50 -2.99 115.31 116.38 1zfs h LEU 37 Ca 0.30 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1zfs h LEU 37 Cb -0.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.35 1zfs h LEU 37 CO -0.07 1.61 0.00 1.56 0.09 0.00 0.00 178.44 181.63 1zfs h GLN 38 N 0.29 0.00 0.00 1.13 4.20 -1.22 1.88 115.11 121.39 1zfs h GLN 38 Ca -0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1zfs h GLN 38 Cb 1.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.66 1zfs h GLN 38 CO 0.23 0.00 -0.00 1.79 -0.67 0.00 0.00 178.83 180.18 1zfs h THR 39 N 0.00 0.46 0.00 -0.54 1.35 -0.29 -3.38 112.91 110.51 1zfs h THR 39 Ca 0.00 -1.34 -0.17 0.00 -0.55 0.00 0.00 66.41 64.35 1zfs h THR 39 Cb 0.50 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 1zfs h THR 39 CO 0.00 0.16 -1.68 -0.62 -0.25 0.00 0.00 175.52 173.13 1zfs n GLU 40 N -4.74 2.17 -0.71 4.72 -0.58 -1.14 -4.66 120.64 115.70 1zfs n GLU 40 Ca -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 57.16 56.69 1zfs n GLU 40 Cb 0.12 -1.26 0.23 0.00 -0.57 0.00 0.00 31.44 29.96 1zfs n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1zfs n LEU 41 N -2.33 4.34 0.37 -4.62 4.32 0.20 -4.76 117.00 114.51 1zfs n LEU 41 Ca -0.15 -3.45 -0.18 0.00 -0.02 0.00 0.00 56.01 52.20 1zfs n LEU 41 Cb 0.78 -0.62 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 1zfs n LEU 41 CO 0.22 1.00 0.65 0.77 -1.22 0.00 0.00 177.39 178.81 1zfs h SER 42 N 1.38 -0.77 -0.60 -1.43 4.64 0.26 -1.39 113.55 115.63 1zfs h SER 42 Ca 0.17 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1zfs h SER 42 Cb 1.71 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.98 1zfs h SER 42 CO 0.40 -0.55 -0.02 0.28 -0.87 0.00 0.00 176.83 176.07 1zfs h SER 43 N -0.91 1.06 0.13 4.97 0.02 -1.86 -3.36 113.55 113.61 1zfs h SER 43 Ca -0.09 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1zfs h SER 43 Cb 0.70 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1zfs h SER 43 CO 0.15 1.12 -0.06 -0.26 -1.14 0.00 0.00 176.83 176.64 1zfs h PHE 44 N 0.98 -0.16 -2.29 3.45 -1.00 -1.89 -3.40 116.94 112.63 1zfs h PHE 44 Ca 0.17 -0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.36 1zfs h PHE 44 Cb 0.59 0.05 -0.11 0.00 3.61 0.00 0.00 35.95 40.09 1zfs h PHE 44 CO 0.04 -0.10 0.95 -1.17 -1.61 0.00 0.00 178.31 176.42 1zfs s LEU 45 N -6.28 3.69 -0.08 1.54 2.96 -0.53 -4.96 118.68 115.03 1zfs s LEU 45 Ca -0.03 -0.84 -0.36 0.00 -0.22 0.00 0.00 54.13 52.68 1zfs s LEU 45 Cb 0.00 -2.51 -0.14 0.00 0.50 0.00 0.00 46.19 44.04 1zfs s LEU 45 CO 0.08 -1.63 1.71 -0.67 -1.32 0.00 0.00 176.35 174.52 1zfs n ASP 46 N 8.64 2.81 0.00 3.68 -0.08 -1.26 -4.54 116.55 125.80 1zfs n ASP 46 Ca 0.06 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 1zfs n ASP 46 Cb 0.48 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1zfs n ASP 46 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1zfs n VAL 47 N 4.32 0.00 -0.06 5.18 3.14 -1.26 -4.87 118.33 124.78 1zfs n VAL 47 Ca 0.22 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.55 1zfs n VAL 47 Cb 0.23 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.97 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 0.00 -0.98 1.45 3.07 -1.84 -3.34 115.11 113.47 1zfs h GLN 48 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.75 1zfs h GLN 48 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 1zfs h GLN 48 CO 0.00 0.28 0.63 1.57 0.09 0.00 0.00 178.83 181.40 1zfs h LYS 49 N -1.00 1.30 -3.47 0.06 2.10 -1.93 -3.27 116.57 110.35 1zfs h LYS 49 Ca -0.02 -0.09 -0.75 0.00 -2.00 0.00 0.00 60.65 57.79 1zfs h LYS 49 Cb 0.36 -0.29 -0.31 0.00 -0.90 0.00 0.00 32.23 31.08 1zfs h LYS 49 CO -0.01 0.87 0.17 -0.51 -2.00 0.00 0.00 179.45 177.97 1zfs s ASP 50 N -6.15 6.64 0.61 7.07 1.01 -1.26 -4.84 116.67 119.75 1zfs s ASP 50 Ca -0.13 -3.58 0.35 0.00 0.71 0.00 0.00 52.55 49.91 1zfs s ASP 50 Cb 0.18 -2.07 2.01 0.00 1.01 0.00 0.00 42.92 44.05 1zfs s ASP 50 CO 0.82 -0.26 2.28 0.00 0.21 0.00 0.00 175.17 178.22 1zfs h ALA 51 N 6.46 1.30 0.00 5.23 0.00 -1.68 0.52 119.26 131.08 1zfs h ALA 51 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1zfs h ALA 51 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1zfs h ALA 51 CO 0.92 0.01 -0.19 0.38 0.00 0.00 0.00 179.25 180.37 1zfs h ASP 52 N 0.00 0.00 0.12 0.00 2.03 -1.89 -1.93 116.42 114.75 1zfs h ASP 52 Ca -0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 1zfs h ASP 52 Cb 0.04 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 1zfs h ASP 52 CO 0.00 0.19 -0.31 0.00 -1.03 0.00 0.00 179.24 178.10 1zfs h ALA 53 N 1.81 1.20 0.00 4.15 0.00 -0.28 -2.38 119.26 123.75 1zfs h ALA 53 Ca -0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1zfs h ALA 53 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1zfs h ALA 53 CO 0.03 0.53 -0.88 -0.24 0.00 0.00 0.00 179.25 178.68 1zfs h VAL 54 N 0.26 1.63 -0.59 0.00 3.04 -1.35 -2.37 116.25 116.87 1zfs h VAL 54 Ca 0.04 -3.01 -0.10 0.00 -1.01 0.00 0.00 66.70 62.61 1zfs h VAL 54 Cb 0.68 2.63 -0.02 0.00 -2.01 0.00 0.00 31.29 32.56 1zfs h VAL 54 CO 0.05 0.86 -0.04 -0.78 -1.01 0.00 0.00 177.57 176.65 1zfs h ASP 55 N 0.00 1.05 -0.35 3.17 1.82 -1.22 -2.43 116.42 118.46 1zfs h ASP 55 Ca -0.01 -0.32 -0.17 0.00 -0.39 0.00 0.00 57.03 56.14 1zfs h ASP 55 Cb 1.56 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.28 1zfs h ASP 55 CO 0.12 1.12 -0.45 0.11 -1.61 0.00 0.00 179.24 178.53 1zfs h LYS 56 N 0.96 0.92 -0.67 0.28 1.57 -1.44 -1.84 116.57 116.35 1zfs h LYS 56 Ca 0.16 -0.52 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 1zfs h LYS 56 Cb 0.60 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1zfs h LYS 56 CO 0.04 1.17 0.11 0.97 -0.57 0.00 0.00 179.45 181.17 1zfs h ILE 57 N 0.73 1.26 0.00 1.86 6.09 -1.31 -2.87 117.51 123.28 1zfs h ILE 57 Ca 0.04 -1.04 -0.12 0.00 -1.37 0.00 0.00 64.86 62.38 1zfs h ILE 57 Cb 1.05 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 1zfs h ILE 57 CO 0.11 0.39 -0.69 0.00 -3.07 0.00 0.00 178.15 174.89 1zfs h MET 58 N 1.04 0.00 -0.78 2.19 -0.00 -1.47 -3.31 114.93 112.61 1zfs h MET 58 Ca 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.91 1zfs h MET 58 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.00 1zfs h MET 58 CO 0.01 0.46 0.52 -0.22 -0.00 0.00 0.00 176.91 177.67 1zfs h LYS 59 N 0.00 1.02 -0.82 -0.10 3.64 -1.11 0.95 116.57 120.16 1zfs h LYS 59 Ca -0.03 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1zfs h LYS 59 Cb 1.42 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1zfs h LYS 59 CO 0.06 0.68 0.54 0.93 -2.27 0.00 0.00 179.45 179.39 1zfs h GLU 60 N 1.05 1.08 0.19 1.90 4.39 -1.62 -1.94 114.58 119.63 1zfs h GLU 60 Ca 0.29 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1zfs h GLU 60 Cb -0.12 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.29 1zfs h GLU 60 CO -0.06 0.71 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.34 1zfs h LEU 61 N 1.11 -0.21 -3.16 1.33 4.07 -1.21 -3.28 115.31 113.96 1zfs h LEU 61 Ca 0.30 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.25 1zfs h LEU 61 Cb -0.12 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1zfs h LEU 61 CO -0.07 0.12 -0.03 0.47 -1.08 0.00 0.00 178.44 177.85 1zfs n ASP 62 N -4.18 4.97 0.23 -0.43 8.00 0.31 -4.32 116.55 121.14 1zfs n ASP 62 Ca -0.03 -2.32 0.10 0.00 0.71 0.00 0.00 54.79 53.24 1zfs n ASP 62 Cb 0.10 -1.08 0.52 0.00 -0.02 0.00 0.00 41.12 40.65 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 1.39 0.00 -0.01 -1.24 4.81 -1.41 2.39 114.58 120.51 1zfs h GLU 63 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1zfs h GLU 63 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1zfs h GLU 63 CO 0.02 0.00 -0.12 0.09 -0.73 0.00 0.00 179.01 178.28 1zfs n ASN 64 N -2.37 0.70 -1.19 1.04 3.02 -1.26 -4.91 115.26 110.29 1zfs n ASN 64 Ca -0.01 -0.81 -0.10 0.00 -0.03 0.00 0.00 54.58 53.62 1zfs n ASN 64 Cb 0.35 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 1.25 -0.06 0.44 7.41 0.00 0.80 -4.89 105.19 110.15 1zfs n GLY 65 Ca 0.15 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.02 1.42 -0.01 1.61 5.75 -1.25 -4.88 116.55 119.20 1zfs n ASP 66 Ca -0.12 -1.40 -0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1zfs n ASP 66 Cb 0.59 0.02 -0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 1.20 0.01 2.95 6.12 0.00 -1.26 -4.84 105.19 109.37 1zfs n GLY 67 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.04 1.07 -0.10 1.61 2.02 -1.26 -3.19 118.70 117.82 1zfs s GLU 68 Ca 0.00 -0.23 -0.08 0.00 0.02 0.00 0.00 54.97 54.68 1zfs s GLU 68 Cb 0.00 -0.98 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 1zfs s GLU 68 CO 0.00 -0.01 0.18 0.08 0.02 0.00 0.00 175.26 175.53 1zfs s VAL 69 N 0.67 5.44 -1.08 2.63 1.01 -0.79 -4.74 120.40 123.54 1zfs s VAL 69 Ca -0.11 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1zfs s VAL 69 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1zfs s VAL 69 CO 0.01 0.60 0.43 0.47 0.00 0.00 0.00 175.10 176.61 1zfs n ASP 70 N 1.89 0.73 0.00 3.32 8.00 -1.26 -1.48 116.55 127.75 1zfs n ASP 70 Ca -0.19 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1zfs n ASP 70 Cb 0.55 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.05 0.00 -0.36 1.24 7.35 -1.26 -4.34 117.46 120.14 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 0.18 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.14 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 1.29 -0.97 -4.13 4.20 -2.02 -0.71 115.11 112.77 1zfs h GLN 72 Ca 0.00 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.65 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 0.85 0.64 0.93 -0.67 0.00 0.00 178.83 180.58 1zfs h GLU 73 N 1.32 1.26 -0.41 1.46 5.08 -1.95 -2.86 114.58 118.48 1zfs h GLU 73 Ca 0.36 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1zfs h GLU 73 Cb -0.14 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.80 1zfs h GLU 73 CO -0.08 0.83 0.15 0.35 -1.00 0.00 0.00 179.01 179.26 1zfs h PHE 74 N 1.30 0.63 -1.00 4.33 3.57 -1.49 -2.64 116.94 121.64 1zfs h PHE 74 Ca 0.36 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1zfs h PHE 74 Cb -0.13 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.38 1zfs h PHE 74 CO -0.00 0.56 0.67 -0.24 -2.23 0.00 0.00 178.31 177.07 1zfs h VAL 75 N 0.51 1.25 -0.18 1.41 3.04 -1.21 -2.41 116.25 118.66 1zfs h VAL 75 Ca 0.13 -0.46 -0.17 0.00 -1.01 0.00 0.00 66.70 65.19 1zfs h VAL 75 Cb 0.21 -0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 29.27 1zfs h VAL 75 CO -0.01 0.25 -0.59 -0.37 -1.01 0.00 0.00 177.57 175.83 1zfs h VAL 76 N 1.35 1.32 0.61 1.51 -1.51 -1.52 -1.90 116.25 116.11 1zfs h VAL 76 Ca 0.37 -1.86 -0.03 0.00 -1.23 0.00 0.00 66.70 63.95 1zfs h VAL 76 Cb -0.14 1.83 0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1zfs h VAL 76 CO -0.09 0.58 -0.29 0.25 -1.23 0.00 0.00 177.57 176.79 1zfs h LEU 77 N 0.43 -0.69 -0.35 4.19 5.85 -1.06 -2.70 115.31 120.98 1zfs h LEU 77 Ca -0.00 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1zfs h LEU 77 Cb 1.16 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1zfs h LEU 77 CO 0.11 -0.44 -0.20 -0.37 -0.34 0.00 0.00 178.44 177.20 1zfs h VAL 78 N -0.89 0.37 -0.07 1.05 -1.51 -1.59 -3.02 116.25 110.58 1zfs h VAL 78 Ca -0.08 -1.36 -0.03 0.00 -1.23 0.00 0.00 66.70 63.99 1zfs h VAL 78 Cb 0.65 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1zfs h VAL 78 CO 0.14 0.20 -0.08 0.00 -1.23 0.00 0.00 177.57 176.59 1zfs h ALA 79 N 1.80 0.11 -0.38 5.19 0.00 -1.31 -2.73 119.26 121.94 1zfs h ALA 79 Ca -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1zfs h ALA 79 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1zfs h ALA 79 CO 0.03 -0.06 -0.40 0.00 0.00 0.00 0.00 179.25 178.81 1zfs h ALA 80 N 0.55 0.56 -0.10 0.00 0.00 -1.55 -2.78 119.26 115.94 1zfs h ALA 80 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1zfs h ALA 80 Cb 0.60 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1zfs h ALA 80 CO 0.02 0.68 0.05 -0.07 0.00 0.00 0.00 179.25 179.93 1zfs h LEU 81 N 0.76 0.13 -0.92 0.00 -0.00 -1.59 -2.46 115.31 111.24 1zfs h LEU 81 Ca 0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1zfs h LEU 81 Cb 1.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.58 1zfs h LEU 81 CO 0.10 0.21 0.53 0.74 -0.00 0.00 0.00 178.44 180.02 1zfs h THR 82 N 0.05 1.26 -0.48 0.22 2.02 -1.52 -2.72 112.91 111.73 1zfs h THR 82 Ca 0.04 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1zfs h THR 82 Cb 0.11 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1zfs h THR 82 CO -0.00 0.28 0.31 0.58 0.37 0.00 0.00 175.52 177.06 1zfs h VAL 83 N 1.29 1.13 -0.72 3.16 2.07 -1.31 -2.93 116.25 118.93 1zfs h VAL 83 Ca 0.33 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1zfs h VAL 83 Cb -0.01 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1zfs h VAL 83 CO -0.06 0.12 0.47 0.00 0.02 0.00 0.00 177.57 178.13 1zfs h ALA 84 N 1.17 0.91 -0.97 1.67 0.00 -1.14 -2.48 119.26 118.43 1zfs h ALA 84 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zfs h ALA 84 Cb -0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 1zfs h ALA 84 CO -0.04 0.34 0.60 0.00 0.00 0.00 0.00 179.25 180.15 1zfs h ASN 86 N 1.33 1.15 -0.36 0.00 -0.00 -1.31 -2.20 115.58 114.18 1zfs h ASN 86 Ca 0.35 -0.03 -0.12 0.00 -0.00 0.00 0.00 56.30 56.50 1zfs h ASN 86 Cb -0.09 -0.29 -0.01 0.00 -0.00 0.00 0.00 38.32 37.93 1zfs h ASN 86 CO -0.07 0.83 -0.21 -1.13 -0.00 0.00 0.00 177.43 176.86 1zfs h ASN 87 N 1.35 0.86 0.64 1.15 -0.73 -1.15 -2.85 115.58 114.85 1zfs h ASN 87 Ca 0.36 -0.31 -0.07 0.00 1.87 0.00 0.00 56.30 58.15 1zfs h ASN 87 Cb -0.15 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.19 1zfs h ASN 87 CO -0.08 1.05 -0.34 -0.26 -0.37 0.00 0.00 177.43 177.43 1zfs h PHE 88 N 0.74 0.00 0.00 0.67 -1.00 -0.99 -2.24 116.94 114.12 1zfs h PHE 88 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1zfs h PHE 88 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 1zfs h PHE 88 CO 0.04 0.34 0.00 1.19 -1.61 0.00 0.00 178.31 178.27 1zfs n PHE 89 N -3.70 0.00 0.75 -0.55 3.01 -0.87 -2.69 117.46 113.41 1zfs n PHE 89 Ca -0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1zfs n PHE 89 Cb 0.44 -0.32 0.39 0.00 -0.01 0.00 0.00 39.48 39.98 1zfs n PHE 89 CO 0.00 0.00 0.00 -2.67 1.01 0.00 0.00 176.76 175.10 1zfs n TRP 90 N -1.32 0.00 -0.36 1.38 4.27 -0.84 -2.92 117.44 117.64 1zfs n TRP 90 Ca 0.08 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.67 1zfs n TRP 90 Cb 0.16 -0.25 0.13 0.00 -1.36 0.00 0.00 31.31 29.99 1zfs n TRP 90 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1zfs h GLU 91 N 0.00 1.29 -1.00 -2.67 4.39 -1.74 -1.59 114.58 113.25 1zfs h GLU 91 Ca 0.00 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1zfs h GLU 91 Cb 0.12 -0.29 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 1zfs h GLU 91 CO 0.00 0.85 0.67 -0.91 -1.16 0.00 0.00 179.01 178.46 1zfs h ASN 92 N 1.33 1.15 0.00 1.42 -0.26 -1.83 -3.55 115.58 113.85 1zfs h ASN 92 Ca 0.36 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1zfs h ASN 92 Cb -0.15 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 36.82 1zfs h ASN 92 CO -0.08 0.83 0.00 -0.24 -1.06 0.00 0.00 177.43 176.89