#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 3.88 0.03 1.61 3.41 -1.26 -4.58 113.62 116.71 1zfs n SER 2 Ca 0.00 -3.36 -0.12 0.00 -0.26 0.00 0.00 58.87 55.13 1zfs n SER 2 Cb 0.00 -0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 63.08 1zfs n SER 2 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1zfs h GLU 3 N 0.91 0.02 -0.11 4.33 9.09 -2.05 1.42 114.58 128.18 1zfs h GLU 3 Ca 0.53 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.92 1zfs h GLU 3 Cb 2.46 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.55 1zfs h GLU 3 CO 0.96 0.01 -0.03 1.25 0.05 0.00 0.00 179.01 181.25 1zfs h LEU 4 N 0.02 0.23 -0.99 3.06 5.85 -2.01 -1.70 115.31 119.77 1zfs h LEU 4 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1zfs h LEU 4 Cb -0.00 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1zfs h LEU 4 CO -0.00 0.55 0.62 -0.08 -0.34 0.00 0.00 178.44 179.19 1zfs h GLU 5 N -0.10 1.31 0.00 1.25 4.81 -1.85 0.21 114.58 120.21 1zfs h GLU 5 Ca 0.03 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1zfs h GLU 5 Cb 0.45 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1zfs h GLU 5 CO 0.01 0.89 -0.03 1.15 -0.73 0.00 0.00 179.01 180.30 1zfs h THR 6 N 1.34 0.23 -0.24 0.32 2.02 0.22 -1.46 112.91 115.33 1zfs h THR 6 Ca 0.35 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 1zfs h THR 6 Cb -0.11 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1zfs h THR 6 CO -0.07 0.03 -0.37 0.00 0.37 0.00 0.00 175.52 175.47 1zfs h ALA 7 N 1.97 0.89 0.09 6.16 0.00 0.37 -1.70 119.26 127.05 1zfs h ALA 7 Ca -0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 1zfs h ALA 7 Cb 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1zfs h ALA 7 CO 0.00 0.63 -1.17 0.52 0.00 0.00 0.00 179.25 179.24 1zfs h MET 8 N 0.46 0.52 0.00 0.00 2.07 -1.22 -3.06 114.93 113.70 1zfs h MET 8 Ca 0.05 -0.68 -0.06 0.00 -2.07 0.00 0.00 59.70 56.94 1zfs h MET 8 Cb 0.86 0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 30.80 1zfs h MET 8 CO 0.07 1.29 -0.28 1.05 1.07 0.00 0.00 176.91 180.11 1zfs h GLU 9 N 0.24 0.00 0.31 1.72 4.11 -1.44 -2.33 114.58 117.19 1zfs h GLU 9 Ca -0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 1zfs h GLU 9 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1zfs h GLU 9 CO 0.21 0.28 -0.15 1.79 0.07 0.00 0.00 179.01 181.21 1zfs h THR 10 N 0.00 0.24 0.00 -1.06 1.35 -1.31 -2.78 112.91 109.35 1zfs h THR 10 Ca -0.00 -0.78 -0.05 0.00 -0.55 0.00 0.00 66.41 65.03 1zfs h THR 10 Cb 0.70 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 1zfs h THR 10 CO 0.04 0.06 -0.23 0.17 -0.25 0.00 0.00 175.52 175.31 1zfs h LEU 11 N -1.06 0.00 -0.57 3.87 8.10 -1.58 -2.79 115.31 121.29 1zfs h LEU 11 Ca -0.04 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.79 1zfs h LEU 11 Cb 0.42 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.62 1zfs h LEU 11 CO 0.07 0.23 -0.69 0.40 -4.11 0.00 0.00 178.44 174.34 1zfs h ILE 12 N 0.00 1.45 -0.14 0.15 2.04 -1.50 -1.73 117.51 117.79 1zfs h ILE 12 Ca -0.00 -2.27 -0.13 0.00 1.00 0.00 0.00 64.86 63.46 1zfs h ILE 12 Cb 0.66 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1zfs h ILE 12 CO 0.03 0.66 -0.43 -1.13 0.00 0.00 0.00 178.15 177.28 1zfs h ASN 13 N 0.08 0.61 0.58 1.72 -1.24 -1.22 -2.13 115.58 113.98 1zfs h ASN 13 Ca -0.01 -0.60 -0.16 0.00 0.71 0.00 0.00 56.30 56.23 1zfs h ASN 13 Cb 1.23 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 40.09 1zfs h ASN 13 CO 0.10 1.10 -0.73 -0.37 -1.29 0.00 0.00 177.43 176.24 1zfs h VAL 14 N 0.15 1.47 -0.76 2.57 -1.51 -1.59 -0.62 116.25 115.96 1zfs h VAL 14 Ca -0.02 -2.36 -0.06 0.00 -1.23 0.00 0.00 66.70 63.03 1zfs h VAL 14 Cb 1.05 2.27 -0.03 0.00 -2.13 0.00 0.00 31.29 32.45 1zfs h VAL 14 CO 0.09 0.69 0.25 0.15 -1.23 0.00 0.00 177.57 177.51 1zfs h PHE 15 N 0.08 1.21 0.00 5.19 3.57 -1.29 -2.00 116.94 123.70 1zfs h PHE 15 Ca -0.02 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1zfs h PHE 15 Cb 1.29 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1zfs h PHE 15 CO 0.01 0.95 -0.48 0.72 -2.23 0.00 0.00 178.31 177.28 1zfs n HIS 16 N -4.25 0.16 -0.03 0.41 8.25 -0.81 -1.95 115.22 117.00 1zfs n HIS 16 Ca 0.06 0.05 -0.16 0.00 -0.26 0.00 0.00 57.72 57.40 1zfs n HIS 16 Cb 0.22 -0.39 -0.07 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 2.86 0.28 0.01 -1.41 0.00 -0.37 -3.14 119.26 117.49 1zfs h ALA 17 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 54.91 54.00 1zfs h ALA 17 Cb 0.57 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1zfs h ALA 17 CO 0.00 0.54 -2.32 0.72 0.00 0.00 0.00 179.25 178.20 1zfs n HIS 18 N -4.08 0.23 -0.34 0.00 8.25 -1.02 -3.73 115.22 114.53 1zfs n HIS 18 Ca -0.07 0.06 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1zfs n HIS 18 Cb 0.66 -1.04 0.15 0.00 1.12 0.00 0.00 29.99 30.89 1zfs n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1zfs h SER 19 N 0.01 1.08 -1.05 0.41 0.87 -1.54 -2.91 113.55 110.43 1zfs h SER 19 Ca -0.52 -0.03 -0.59 0.00 -1.23 0.00 0.00 61.79 59.42 1zfs h SER 19 Cb 2.06 -0.27 -0.40 0.00 -0.44 0.00 0.00 62.40 63.36 1zfs h SER 19 CO -0.01 0.78 -0.43 0.61 -0.53 0.00 0.00 176.83 177.25 1zfs n GLY 20 N -1.39 6.18 0.01 5.77 0.00 -1.19 -3.29 105.19 111.28 1zfs n GLY 20 Ca 0.11 -2.63 -0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 2.30 0.00 0.00 1.61 3.64 -1.59 -3.45 116.57 119.08 1zfs h LYS 21 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1zfs h LYS 21 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1zfs h LYS 21 CO 0.95 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.52 1zfs n GLU 22 N -2.37 4.71 -2.81 1.90 1.02 -1.26 -5.11 120.64 116.73 1zfs n GLU 22 Ca -0.00 -0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.11 1zfs n GLU 22 Cb 0.00 -0.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.99 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 0.69 0.46 3.69 0.62 0.00 -1.26 -4.95 105.19 104.43 1zfs n GLY 23 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.58 -3.97 0.14 1.61 8.00 -1.26 -4.46 116.55 116.03 1zfs n ASP 24 Ca 0.02 -0.62 0.13 0.00 0.71 0.00 0.00 54.79 55.03 1zfs n ASP 24 Cb 0.26 -3.24 0.41 0.00 -0.02 0.00 0.00 41.12 38.53 1zfs n ASP 24 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1zfs h LYS 25 N -1.37 0.00 -0.00 -1.24 3.11 -1.92 -2.94 116.57 112.21 1zfs h LYS 25 Ca -0.51 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 1zfs h LYS 25 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1zfs h LYS 25 CO 0.63 0.00 -0.44 0.98 -2.81 0.00 0.00 179.45 177.81 1zfs n TYR 26 N -2.45 0.00 -3.78 1.91 4.19 -1.26 -4.81 117.16 110.96 1zfs n TYR 26 Ca 0.04 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.23 1zfs n TYR 26 Cb 0.39 -0.21 -0.00 0.00 0.49 0.00 0.00 39.34 40.01 1zfs n TYR 26 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1zfs s LYS 27 N -2.85 1.10 0.73 2.98 -2.85 -1.11 -5.08 119.74 112.67 1zfs s LYS 27 Ca 0.15 -0.65 -0.12 0.00 -1.00 0.00 0.00 55.97 54.36 1zfs s LYS 27 Cb 0.18 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.33 1zfs s LYS 27 CO 0.65 -0.51 1.11 -1.17 0.10 0.00 0.00 175.35 175.53 1zfs s LEU 28 N -3.11 2.80 0.16 2.77 2.96 -0.43 -4.72 118.68 119.10 1zfs s LEU 28 Ca 0.16 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 1zfs s LEU 28 Cb -0.01 -3.84 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1zfs s LEU 28 CO 0.02 -1.52 -0.05 -0.94 -1.32 0.00 0.00 176.35 172.55 1zfs s SER 29 N -4.31 1.52 0.25 3.68 1.04 -1.26 -1.81 113.70 112.81 1zfs s SER 29 Ca 0.59 -1.10 -0.06 0.00 0.48 0.00 0.00 55.95 55.86 1zfs s SER 29 Cb -0.12 0.05 0.27 0.00 0.10 0.00 0.00 66.02 66.32 1zfs s SER 29 CO 0.52 -0.46 1.93 0.50 0.98 0.00 0.00 173.24 176.71 1zfs h LYS 30 N 2.73 1.31 -0.01 4.02 3.64 -1.94 -2.24 116.57 124.08 1zfs h LYS 30 Ca -0.37 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 58.77 1zfs h LYS 30 Cb 1.20 -0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1zfs h LYS 30 CO 0.64 0.87 -0.76 -0.22 -2.27 0.00 0.00 179.45 177.71 1zfs h LYS 31 N 1.35 0.12 -0.35 1.90 1.63 -1.97 -3.11 116.57 116.15 1zfs h LYS 31 Ca 0.36 -0.11 -0.12 0.00 -0.85 0.00 0.00 60.65 59.94 1zfs h LYS 31 Cb -0.15 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1zfs h LYS 31 CO -0.08 0.81 -0.23 0.93 -3.45 0.00 0.00 179.45 177.44 1zfs h GLU 32 N 0.07 0.78 -0.18 1.90 5.08 -1.80 -3.10 114.58 117.34 1zfs h GLU 32 Ca -0.02 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.84 1zfs h GLU 32 Cb 1.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1zfs h GLU 32 CO 0.11 0.99 -0.46 1.37 -1.00 0.00 0.00 179.01 180.02 1zfs h LEU 33 N 0.56 0.48 -1.31 1.33 8.10 -1.47 -2.96 115.31 120.04 1zfs h LEU 33 Ca 0.07 -0.23 -0.00 0.00 0.11 0.00 0.00 57.88 57.83 1zfs h LEU 33 Cb 0.79 -0.14 -0.03 0.00 -0.44 0.00 0.00 40.66 40.85 1zfs h LEU 33 CO 0.06 0.87 0.38 0.50 -4.11 0.00 0.00 178.44 176.15 1zfs h LYS 34 N 0.36 0.85 -0.58 0.17 3.64 -1.52 -2.30 116.57 117.19 1zfs h LYS 34 Ca 0.02 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 1zfs h LYS 34 Cb 0.95 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1zfs h LYS 34 CO 0.08 0.59 0.01 -0.44 -2.27 0.00 0.00 179.45 177.43 1zfs h ASP 35 N 0.87 1.00 -0.72 4.20 3.32 -1.45 -2.61 116.42 121.04 1zfs h ASP 35 Ca 0.23 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1zfs h ASP 35 Cb -0.04 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1zfs h ASP 35 CO -0.04 1.06 0.17 -0.07 -1.72 0.00 0.00 179.24 178.64 1zfs h LEU 36 N 0.92 1.09 0.06 1.55 3.38 -1.37 -1.14 115.31 119.79 1zfs h LEU 36 Ca 0.17 -0.23 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 1zfs h LEU 36 Cb 0.54 -0.29 0.02 0.00 0.09 0.00 0.00 40.66 41.02 1zfs h LEU 36 CO 0.03 1.04 -0.95 -0.07 0.09 0.00 0.00 178.44 178.57 1zfs h LEU 37 N 1.09 0.74 -1.43 1.67 3.38 -1.47 -3.08 115.31 116.21 1zfs h LEU 37 Ca 0.23 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1zfs h LEU 37 Cb 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1zfs h LEU 37 CO 0.00 1.45 -0.05 0.06 0.09 0.00 0.00 178.44 180.00 1zfs h GLN 38 N 0.12 0.00 0.30 1.13 3.07 -1.47 1.41 115.11 119.67 1zfs h GLN 38 Ca -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.59 1zfs h GLN 38 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.21 1zfs h GLN 38 CO 0.18 0.05 -0.15 1.79 0.09 0.00 0.00 178.83 180.80 1zfs h THR 39 N 0.00 0.15 0.00 1.86 1.35 -1.17 -3.37 112.91 111.74 1zfs h THR 39 Ca -0.00 -0.76 -0.14 0.00 -0.55 0.00 0.00 66.41 64.96 1zfs h THR 39 Cb 0.55 0.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.20 1zfs h THR 39 CO 0.01 0.04 -1.55 -0.62 -0.25 0.00 0.00 175.52 173.15 1zfs n GLU 40 N -5.05 2.53 -0.89 4.72 -0.58 -1.17 -4.68 120.64 115.51 1zfs n GLU 40 Ca -0.06 -0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.59 1zfs n GLU 40 Cb 0.19 -1.21 0.20 0.00 -0.57 0.00 0.00 31.44 30.06 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 -2.27 4.78 -0.25 -4.62 4.32 0.28 -4.72 117.00 114.53 1zfs n LEU 41 Ca -0.13 -3.68 -0.05 0.00 -0.02 0.00 0.00 56.01 52.13 1zfs n LEU 41 Cb 0.73 -0.68 0.06 0.00 -1.62 0.00 0.00 43.42 41.91 1zfs n LEU 41 CO 0.17 1.17 1.17 0.77 -1.22 0.00 0.00 177.39 179.45 1zfs h SER 42 N 1.10 0.80 0.57 -1.43 4.64 0.16 -0.66 113.55 118.74 1zfs h SER 42 Ca 0.31 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.44 1zfs h SER 42 Cb 1.95 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.83 1zfs h SER 42 CO 0.56 0.58 -0.75 0.77 -0.87 0.00 0.00 176.83 177.12 1zfs h SER 43 N 0.95 0.17 0.00 4.97 4.64 -1.84 -3.37 113.55 119.06 1zfs h SER 43 Ca 0.26 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1zfs h SER 43 Cb -0.10 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1zfs h SER 43 CO -0.06 0.85 -0.00 -0.26 -0.87 0.00 0.00 176.83 176.49 1zfs h PHE 44 N 0.09 -0.00 -2.10 4.77 -1.00 -1.83 -3.41 116.94 113.47 1zfs h PHE 44 Ca -0.02 -0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.19 1zfs h PHE 44 Cb 1.32 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.78 1zfs h PHE 44 CO 0.02 -0.00 1.11 -0.51 -1.61 0.00 0.00 178.31 177.31 1zfs s LEU 45 N -4.10 3.42 0.29 1.54 2.01 -0.28 -4.96 118.68 116.58 1zfs s LEU 45 Ca -0.00 -0.78 -0.29 0.00 0.01 0.00 0.00 54.13 53.06 1zfs s LEU 45 Cb 0.00 -2.54 -0.13 0.00 0.01 0.00 0.00 46.19 43.53 1zfs s LEU 45 CO 0.00 -1.70 1.29 -0.67 1.01 0.00 0.00 176.35 176.28 1zfs n ASP 46 N 9.02 2.50 0.12 2.29 -0.08 -1.26 -4.57 116.55 124.58 1zfs n ASP 46 Ca 0.10 1.18 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 1zfs n ASP 46 Cb 0.49 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.53 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 0.99 0.00 -0.09 5.18 3.14 -1.26 -4.80 118.33 121.49 1zfs n VAL 47 Ca 0.08 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.38 1zfs n VAL 47 Cb 0.33 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.10 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 0.42 -0.33 1.45 3.07 -1.88 -2.78 115.11 115.06 1zfs h GLN 48 Ca 0.00 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.54 1zfs h GLN 48 Cb 0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 27.46 1zfs h GLN 48 CO 0.00 0.28 -0.49 1.57 0.09 0.00 0.00 178.83 180.27 1zfs h LYS 49 N 0.43 0.91 -3.51 0.06 2.10 -1.94 -3.35 116.57 111.27 1zfs h LYS 49 Ca 0.12 -0.54 -0.75 0.00 -2.00 0.00 0.00 60.65 57.48 1zfs h LYS 49 Cb -0.05 0.05 -0.31 0.00 -0.90 0.00 0.00 32.23 31.02 1zfs h LYS 49 CO -0.03 1.18 0.09 -0.51 -2.00 0.00 0.00 179.45 178.19 1zfs s ASP 50 N -6.92 6.49 0.58 7.07 1.01 -1.07 -4.87 116.67 118.97 1zfs s ASP 50 Ca -0.11 -3.43 0.28 0.00 0.71 0.00 0.00 52.55 50.00 1zfs s ASP 50 Cb 0.10 -2.05 1.74 0.00 1.01 0.00 0.00 42.92 43.72 1zfs s ASP 50 CO 0.89 -0.30 2.23 0.00 0.21 0.00 0.00 175.17 178.21 1zfs h ALA 51 N 6.62 1.61 0.00 5.23 0.00 -1.67 0.39 119.26 131.44 1zfs h ALA 51 Ca 0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1zfs h ALA 51 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1zfs h ALA 51 CO 0.88 -0.02 -0.17 0.38 0.00 0.00 0.00 179.25 180.32 1zfs h ASP 52 N 0.00 0.00 -0.35 0.00 2.03 -1.89 -2.53 116.42 113.68 1zfs h ASP 52 Ca 0.01 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1zfs h ASP 52 Cb 0.03 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.51 1zfs h ASP 52 CO -0.00 0.17 0.02 0.00 -1.03 0.00 0.00 179.24 178.40 1zfs h ALA 53 N 1.83 1.22 0.00 4.15 0.00 -0.53 -2.33 119.26 123.60 1zfs h ALA 53 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1zfs h ALA 53 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1zfs h ALA 53 CO 0.02 0.52 -0.57 -0.24 0.00 0.00 0.00 179.25 178.99 1zfs h VAL 54 N 0.66 1.00 -0.38 0.00 3.04 -1.46 -2.40 116.25 116.71 1zfs h VAL 54 Ca 0.14 -2.32 -0.16 0.00 -1.01 0.00 0.00 66.70 63.34 1zfs h VAL 54 Cb 0.38 2.43 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1zfs h VAL 54 CO 0.01 0.55 -0.41 0.44 -1.01 0.00 0.00 177.57 177.16 1zfs h ASP 55 N 0.00 1.01 -0.36 3.17 3.32 -1.28 -2.18 116.42 120.09 1zfs h ASP 55 Ca -0.01 -0.47 -0.17 0.00 0.02 0.00 0.00 57.03 56.40 1zfs h ASP 55 Cb 1.38 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1zfs h ASP 55 CO 0.07 1.28 -0.43 0.11 -1.72 0.00 0.00 179.24 178.55 1zfs h LYS 56 N 0.76 0.93 -0.43 3.56 1.57 -1.47 -1.22 116.57 120.28 1zfs h LYS 56 Ca 0.06 -0.52 -0.07 0.00 -1.87 0.00 0.00 60.65 58.25 1zfs h LYS 56 Cb 1.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1zfs h LYS 56 CO 0.10 1.17 -0.04 0.97 -0.57 0.00 0.00 179.45 181.08 1zfs h ILE 57 N 0.75 1.24 0.00 1.86 6.09 -1.38 -2.44 117.51 123.62 1zfs h ILE 57 Ca 0.05 -1.01 -0.15 0.00 -1.37 0.00 0.00 64.86 62.38 1zfs h ILE 57 Cb 1.03 0.95 -0.02 0.00 0.47 0.00 0.00 36.82 39.25 1zfs h ILE 57 CO 0.10 0.35 -0.74 -0.03 -3.07 0.00 0.00 178.15 174.76 1zfs h MET 58 N 0.66 0.00 -0.77 2.19 4.05 -1.33 -3.29 114.93 116.45 1zfs h MET 58 Ca 0.13 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1zfs h MET 58 Cb 0.47 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 1zfs h MET 58 CO 0.02 0.68 0.46 -0.22 0.23 0.00 0.00 176.91 178.09 1zfs h LYS 59 N 0.00 1.05 0.00 0.39 3.64 -0.72 0.88 116.57 121.81 1zfs h LYS 59 Ca -0.02 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1zfs h LYS 59 Cb 1.55 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1zfs h LYS 59 CO 0.09 0.74 -0.24 0.93 -2.27 0.00 0.00 179.45 178.70 1zfs h GLU 60 N 1.06 0.00 0.00 1.90 5.08 -1.60 -2.87 114.58 118.15 1zfs h GLU 60 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1zfs h GLU 60 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1zfs h GLU 60 CO -0.05 0.24 0.00 1.28 -1.00 0.00 0.00 179.01 179.48 1zfs n LEU 61 N -3.54 0.32 -1.72 1.33 4.32 -0.49 -3.99 117.00 113.23 1zfs n LEU 61 Ca -0.01 0.44 -0.02 0.00 -0.02 0.00 0.00 56.01 56.41 1zfs n LEU 61 Cb 0.39 -0.45 -0.02 0.00 -1.62 0.00 0.00 43.42 41.72 1zfs n LEU 61 CO 0.33 -0.45 0.84 0.47 -1.22 0.00 0.00 177.39 177.36 1zfs n ASP 62 N -1.84 3.90 0.25 -1.43 8.00 0.18 -4.32 116.55 121.29 1zfs n ASP 62 Ca 0.00 -2.07 0.10 0.00 0.71 0.00 0.00 54.79 53.53 1zfs n ASP 62 Cb 0.00 -0.87 0.52 0.00 -0.02 0.00 0.00 41.12 40.76 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 2.16 0.00 -0.00 -1.24 4.81 -1.63 2.61 114.58 121.29 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 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1zfs h GLU 63 CO 0.05 0.00 -0.11 0.09 -0.73 0.00 0.00 179.01 178.31 1zfs n ASN 64 N -2.45 0.18 -0.64 1.04 5.03 -1.26 -4.92 115.26 112.24 1zfs n ASN 64 Ca -0.01 0.06 -0.06 0.00 0.87 0.00 0.00 54.58 55.44 1zfs n ASN 64 Cb 0.41 -0.25 -0.01 0.00 -1.02 0.00 0.00 39.78 38.92 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zfs n GLY 65 N 1.43 0.21 0.10 7.41 0.00 0.88 -4.92 105.19 110.29 1zfs n GLY 65 Ca 0.09 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 0.90 0.60 0.00 1.61 5.75 -1.26 -4.90 116.55 119.26 1zfs n ASP 66 Ca -0.07 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1zfs n ASP 66 Cb 0.51 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 1.40 0.46 3.19 6.12 0.00 -1.26 -4.90 105.19 110.20 1zfs n GLY 67 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.44 1.96 -0.12 1.61 2.02 -1.26 -3.27 118.70 119.19 1zfs s GLU 68 Ca 0.00 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.19 1zfs s GLU 68 Cb 0.00 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 1zfs s GLU 68 CO 0.00 0.33 0.16 0.08 0.02 0.00 0.00 175.26 175.85 1zfs s VAL 69 N -0.14 5.45 -0.16 2.63 1.01 -0.75 -4.73 120.40 123.72 1zfs s VAL 69 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1zfs s VAL 69 Cb -0.11 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1zfs s VAL 69 CO 0.02 0.59 0.65 0.47 0.00 0.00 0.00 175.10 176.83 1zfs n ASP 70 N 2.22 1.90 0.00 3.32 8.00 -1.26 -1.32 116.55 129.41 1zfs n ASP 70 Ca -0.19 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 53.90 1zfs n ASP 70 Cb 0.54 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1zfs n ASP 70 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1zfs n PHE 71 N 0.57 0.00 -0.38 1.24 1.16 -1.26 -4.07 117.46 114.72 1zfs n PHE 71 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.56 1zfs n PHE 71 Cb 0.33 0.00 0.11 0.00 -1.61 0.00 0.00 39.48 38.30 1zfs n PHE 71 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 1zfs h GLN 72 N 0.00 1.32 -0.62 3.97 4.15 -2.01 -2.07 115.11 119.85 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 -0.30 -0.03 0.00 0.21 0.00 0.00 27.48 27.36 1zfs h GLN 72 CO 0.00 0.87 0.41 0.93 -1.93 0.00 0.00 178.83 179.11 1zfs h GLU 73 N 1.36 0.81 -0.03 1.69 5.08 -1.94 -3.03 114.58 118.51 1zfs h GLU 73 Ca 0.37 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1zfs h GLU 73 Cb -0.16 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.91 1zfs h GLU 73 CO -0.08 0.54 0.02 0.35 -1.00 0.00 0.00 179.01 178.84 1zfs h PHE 74 N 0.83 0.04 -0.09 4.33 3.04 -1.72 -2.43 116.94 120.95 1zfs h PHE 74 Ca 0.23 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.20 1zfs h PHE 74 Cb -0.10 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.40 1zfs h PHE 74 CO -0.03 0.03 0.07 -0.24 -2.02 0.00 0.00 178.31 176.12 1zfs h VAL 75 N 0.03 0.87 0.39 1.41 3.04 -1.37 -3.09 116.25 117.52 1zfs h VAL 75 Ca 0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.68 1zfs h VAL 75 Cb 0.01 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1zfs h VAL 75 CO -0.00 0.00 -0.19 0.58 -1.01 0.00 0.00 177.57 176.95 1zfs h VAL 76 N 0.00 0.52 -0.34 1.51 2.07 -1.32 -2.10 116.25 116.60 1zfs h VAL 76 Ca 0.04 -0.56 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 1zfs h VAL 76 Cb 0.17 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1zfs h VAL 76 CO -0.00 0.09 -0.46 0.17 0.02 0.00 0.00 177.57 177.39 1zfs h LEU 77 N -0.88 0.99 -0.46 2.57 -0.00 -1.54 -3.02 115.31 112.97 1zfs h LEU 77 Ca -0.05 -0.50 -0.12 0.00 -0.00 0.00 0.00 57.88 57.21 1zfs h LEU 77 Cb 0.55 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1zfs h LEU 77 CO 0.09 1.29 -0.57 -0.37 -0.00 0.00 0.00 178.44 178.88 1zfs h VAL 78 N 0.71 1.13 -0.27 0.15 -1.51 -1.67 -2.52 116.25 112.27 1zfs h VAL 78 Ca 0.04 -2.19 -0.09 0.00 -1.23 0.00 0.00 66.70 63.22 1zfs h VAL 78 Cb 1.07 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 32.51 1zfs h VAL 78 CO 0.11 0.56 -0.19 0.00 -1.23 0.00 0.00 177.57 176.82 1zfs h ALA 79 N 1.43 0.38 -0.05 5.19 0.00 -1.39 -2.46 119.26 122.35 1zfs h ALA 79 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1zfs h ALA 79 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1zfs h ALA 79 CO 0.07 0.31 -0.49 0.00 0.00 0.00 0.00 179.25 179.15 1zfs h ALA 80 N 0.71 1.09 -0.40 0.00 0.00 -1.55 -3.05 119.26 116.06 1zfs h ALA 80 Ca 0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 1zfs h ALA 80 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1zfs h ALA 80 CO 0.05 0.64 -0.35 1.25 0.00 0.00 0.00 179.25 180.83 1zfs h LEU 81 N 0.10 0.99 -0.29 0.00 7.12 -1.34 -2.68 115.31 119.21 1zfs h LEU 81 Ca 0.00 -0.44 -0.06 0.00 0.13 0.00 0.00 57.88 57.52 1zfs h LEU 81 Cb 0.91 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 1zfs h LEU 81 CO 0.07 1.23 -0.04 0.71 -0.13 0.00 0.00 178.44 180.28 1zfs h THR 82 N 0.77 1.27 -0.27 1.05 1.35 -1.37 -2.58 112.91 113.13 1zfs h THR 82 Ca 0.07 -1.04 -0.09 0.00 -0.55 0.00 0.00 66.41 64.79 1zfs h THR 82 Cb 0.94 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1zfs h THR 82 CO 0.09 0.33 -0.20 1.62 -0.25 0.00 0.00 175.52 177.11 1zfs h VAL 83 N 0.31 1.31 -0.64 6.82 3.04 -1.58 -3.07 116.25 122.42 1zfs h VAL 83 Ca 0.08 -1.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.42 1zfs h VAL 83 Cb 0.51 1.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.33 1zfs h VAL 83 CO 0.02 0.42 0.35 0.00 -1.01 0.00 0.00 177.57 177.36 1zfs h ALA 84 N 0.71 0.83 -1.00 3.17 0.00 -1.51 -2.82 119.26 118.63 1zfs h ALA 84 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1zfs h ALA 84 Cb 0.74 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1zfs h ALA 84 CO 0.05 0.34 0.66 0.00 0.00 0.00 0.00 179.25 180.31 1zfs h ASN 86 N 1.36 1.14 0.77 0.00 4.21 -1.40 -1.32 115.58 120.34 1zfs h ASN 86 Ca 0.37 -0.05 -0.08 0.00 1.21 0.00 0.00 56.30 57.75 1zfs h ASN 86 Cb -0.16 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 36.75 1zfs h ASN 86 CO -0.08 0.85 -0.37 0.78 -1.29 0.00 0.00 177.43 177.31 1zfs h ASN 87 N 1.34 0.00 -1.00 5.81 2.35 -1.35 -2.97 115.58 119.76 1zfs h ASN 87 Ca 0.36 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1zfs h ASN 87 Cb -0.12 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 1zfs h ASN 87 CO -0.07 0.37 0.66 0.15 -1.65 0.00 0.00 177.43 176.89 1zfs h PHE 88 N 0.00 1.26 0.00 1.19 3.57 -0.60 -0.52 116.94 121.84 1zfs h PHE 88 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1zfs h PHE 88 Cb 0.86 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1zfs h PHE 88 CO 0.00 0.80 0.00 0.35 -2.23 0.00 0.00 178.31 177.23 1zfs h PHE 89 N 1.35 0.00 -0.31 0.41 3.04 -1.40 -3.05 116.94 116.99 1zfs h PHE 89 Ca 0.36 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.25 1zfs h PHE 89 Cb -0.15 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 1zfs h PHE 89 CO -0.00 0.00 -0.09 2.35 -2.02 0.00 0.00 178.31 178.55 1zfs h TRP 90 N 0.00 0.54 -0.91 0.41 2.91 -1.08 -2.75 115.95 115.07 1zfs h TRP 90 Ca 0.00 -0.08 0.01 0.00 1.13 0.00 0.00 58.89 59.96 1zfs h TRP 90 Cb 0.54 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 29.00 1zfs h TRP 90 CO 0.00 0.59 0.60 1.05 -1.03 0.00 0.00 178.44 179.65 1zfs h GLU 91 N 0.47 1.18 -0.95 2.65 4.11 -1.57 -1.64 114.58 118.84 1zfs h GLU 91 Ca 0.09 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.46 1zfs h GLU 91 Cb 0.45 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1zfs h GLU 91 CO 0.02 0.78 0.63 -0.97 0.07 0.00 0.00 179.01 179.54 1zfs h ASN 92 N 1.22 1.09 0.00 3.06 -0.73 -1.67 -3.54 115.58 115.01 1zfs h ASN 92 Ca 0.34 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.48 1zfs h ASN 92 Cb -0.12 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.20 1zfs h ASN 92 CO -0.08 0.79 0.00 -0.24 -0.37 0.00 0.00 177.43 177.53