#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufz s SER 2 N 0.00 2.05 0.26 1.61 1.04 -1.26 -5.16 113.70 112.24 1ufz s SER 2 Ca 0.00 -1.01 0.11 0.00 0.48 0.00 0.00 55.95 55.53 1ufz s SER 2 Cb 0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 1ufz s SER 2 CO 0.00 -0.28 -0.20 -0.55 0.98 0.00 0.00 173.24 173.20 1ufz s SER 3 N -3.20 3.43 0.41 7.02 0.15 -1.26 -5.10 113.70 115.16 1ufz s SER 3 Ca 0.18 -1.01 -0.21 0.00 0.70 0.00 0.00 55.95 55.61 1ufz s SER 3 Cb 0.01 -0.27 -0.15 0.00 -1.71 0.00 0.00 66.02 63.90 1ufz s SER 3 CO 0.03 0.02 0.19 0.61 1.20 0.00 0.00 173.24 175.29 1ufz n GLY 4 N -0.47 -2.45 0.91 9.45 0.00 -1.26 -4.78 105.19 106.58 1ufz n GLY 4 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ufz n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ufz n SER 5 N 2.07 -1.35 -0.02 1.61 3.41 -1.26 -5.02 113.62 113.06 1ufz n SER 5 Ca 0.11 0.50 -0.06 0.00 -0.26 0.00 0.00 58.87 59.16 1ufz n SER 5 Cb 0.40 1.52 -0.02 0.00 -0.26 0.00 0.00 64.21 65.85 1ufz n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ufz n SER 6 N -2.93 1.08 0.00 4.04 7.64 -1.26 -5.07 113.62 117.12 1ufz n SER 6 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1ufz n SER 6 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1ufz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufz n GLY 7 N 2.61 -0.88 0.06 0.23 0.00 -1.26 -5.07 105.19 100.88 1ufz n GLY 7 Ca -0.11 0.87 -0.06 0.00 0.00 0.00 0.00 46.02 46.72 1ufz n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ufz h GLU 8 N 0.00 0.00 -0.99 1.61 4.81 -1.97 -3.02 114.58 115.02 1ufz h GLU 8 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1ufz h GLU 8 Cb 0.00 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.19 1ufz h GLU 8 CO 0.00 0.38 -0.25 0.66 -0.73 0.00 0.00 179.01 179.07 1ufz n TYR 9 N -4.71 0.36 0.34 0.92 4.02 -1.26 -0.06 117.16 116.77 1ufz n TYR 9 Ca -0.05 1.21 -0.13 0.00 -0.01 0.00 0.00 57.90 58.92 1ufz n TYR 9 Cb 0.20 -1.07 -0.06 0.00 -0.02 0.00 0.00 39.34 38.38 1ufz n TYR 9 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1ufz h GLY 10 N 0.00 -0.91 -0.68 2.72 0.00 -1.98 0.73 103.07 102.94 1ufz h GLY 10 Ca 0.48 0.34 0.36 0.00 0.00 0.00 0.00 47.33 48.50 1ufz h GLY 10 CO -1.02 -0.33 0.56 -1.82 0.00 0.00 0.00 176.54 173.93 1ufz h TYR 11 N -0.95 0.90 0.12 5.60 3.20 -1.01 0.29 116.97 125.10 1ufz h TYR 11 Ca -0.09 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1ufz h TYR 11 Cb 0.67 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1ufz h TYR 11 CO 0.06 -0.27 -0.06 1.49 -1.64 0.00 0.00 178.16 177.74 1ufz h GLU 12 N 0.22 -0.15 -0.75 1.82 4.81 -0.30 -3.16 114.58 117.06 1ufz h GLU 12 Ca 0.77 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 60.23 1ufz h GLU 12 Cb 1.87 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 1ufz h GLU 12 CO -0.66 0.28 0.80 0.22 -0.73 0.00 0.00 179.01 178.92 1ufz h ASP 13 N -0.93 0.00 -1.11 1.04 3.58 0.26 0.42 116.42 119.68 1ufz h ASP 13 Ca -0.02 0.00 0.34 0.00 0.42 0.00 0.00 57.03 57.77 1ufz h ASP 13 Cb 0.50 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.43 1ufz h ASP 13 CO 0.03 0.00 0.69 0.25 -2.88 0.00 0.00 179.24 177.32 1ufz h LEU 14 N 0.00 0.42 -9.33 2.28 6.46 -0.50 -3.41 115.31 111.23 1ufz h LEU 14 Ca 0.35 0.14 -0.48 0.00 -0.12 0.00 0.00 57.88 57.78 1ufz h LEU 14 Cb 1.95 0.09 0.25 0.00 -0.73 0.00 0.00 40.66 42.22 1ufz h LEU 14 CO -0.00 -0.07 -1.92 -2.11 -0.62 0.00 0.00 178.44 173.71 1ufz n ARG 15 N -4.81 -0.78 -3.19 1.25 1.85 0.15 -5.02 116.66 106.12 1ufz n ARG 15 Ca 0.31 -0.22 0.01 0.00 -1.00 0.00 0.00 57.85 56.96 1ufz n ARG 15 Cb 1.08 -1.34 -0.02 0.00 -1.05 0.00 0.00 32.46 31.12 1ufz n ARG 15 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1ufz s GLU 16 N -2.71 0.52 0.32 2.89 2.02 -1.26 -5.12 118.70 115.37 1ufz s GLU 16 Ca 0.46 0.84 -0.28 0.00 0.02 0.00 0.00 54.97 56.01 1ufz s GLU 16 Cb -0.01 0.31 -0.13 0.00 0.10 0.00 0.00 34.13 34.40 1ufz s GLU 16 CO 0.66 -0.69 1.17 0.43 0.02 0.00 0.00 175.26 176.86 1ufz n SER 17 N 5.41 2.15 -0.07 -0.19 7.64 -1.26 -4.93 113.62 122.38 1ufz n SER 17 Ca -0.01 1.19 -0.09 0.00 1.01 0.00 0.00 58.87 60.97 1ufz n SER 17 Cb 0.51 -1.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.23 1ufz n SER 17 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ufz h SER 18 N 2.30 0.00 -5.14 6.43 4.64 -2.00 -3.49 113.55 116.29 1ufz h SER 18 Ca -0.43 -0.49 -0.06 0.00 -0.47 0.00 0.00 61.79 60.34 1ufz h SER 18 Cb 1.31 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.28 1ufz h SER 18 CO 0.62 0.88 -0.14 0.54 -0.87 0.00 0.00 176.83 177.86 1ufz s ASN 19 N -6.04 -0.13 0.27 4.97 2.20 -1.26 -5.03 114.94 109.92 1ufz s ASN 19 Ca -0.14 -0.55 -0.05 0.00 -0.94 0.00 0.00 52.86 51.18 1ufz s ASN 19 Cb -0.00 0.48 0.53 0.00 -2.00 0.00 0.00 41.25 40.26 1ufz s ASN 19 CO 0.40 -0.91 1.61 -1.28 -2.94 0.00 0.00 177.10 173.98 1ufz h SER 20 N 2.40 -0.42 -0.09 3.54 0.87 -1.99 -0.49 113.55 117.38 1ufz h SER 20 Ca -0.32 0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1ufz h SER 20 Cb 1.24 0.40 -0.03 0.00 -0.44 0.00 0.00 62.40 63.58 1ufz h SER 20 CO 0.45 -0.24 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.22 1ufz h LEU 21 N 0.07 -0.73 -0.91 2.23 -0.00 -1.99 0.56 115.31 114.55 1ufz h LEU 21 Ca 0.47 0.09 0.11 0.00 -0.00 0.00 0.00 57.88 58.55 1ufz h LEU 21 Cb 0.87 0.29 -0.13 0.00 -0.00 0.00 0.00 40.66 41.69 1ufz h LEU 21 CO -0.76 -0.19 -0.49 0.25 -0.00 0.00 0.00 178.44 177.24 1ufz h LEU 22 N -0.22 -1.80 -0.43 1.67 5.85 -1.53 0.54 115.31 119.41 1ufz h LEU 22 Ca 0.02 0.31 0.09 0.00 0.84 0.00 0.00 57.88 59.13 1ufz h LEU 22 Cb 0.27 0.84 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 1ufz h LEU 22 CO -0.20 -0.27 -0.23 -1.13 -0.34 0.00 0.00 178.44 176.27 1ufz h ASN 23 N -0.05 -0.78 -0.70 1.25 -0.73 -0.42 -1.31 115.58 112.84 1ufz h ASN 23 Ca 0.23 0.17 0.07 0.00 1.87 0.00 0.00 56.30 58.64 1ufz h ASN 23 Cb 0.51 0.41 -0.10 0.00 0.27 0.00 0.00 38.32 39.40 1ufz h ASN 23 CO -0.90 -0.25 -0.56 -0.74 -0.37 0.00 0.00 177.43 174.60 1ufz h HIS 24 N -0.15 -1.75 -1.34 0.67 2.76 0.53 1.12 115.15 117.00 1ufz h HIS 24 Ca 0.20 0.10 0.42 0.00 -2.20 0.00 0.00 60.37 58.90 1ufz h HIS 24 Cb 0.46 0.85 -0.12 0.00 1.55 0.00 0.00 27.41 30.16 1ufz h HIS 24 CO -0.47 -0.43 0.88 1.96 -1.30 0.00 0.00 177.93 178.56 1ufz h GLN 25 N -0.20 0.11 -2.05 5.26 4.20 -0.04 -3.46 115.11 118.93 1ufz h GLN 25 Ca 0.13 -0.01 0.25 0.00 0.06 0.00 0.00 58.65 59.08 1ufz h GLN 25 Cb 0.51 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 1ufz h GLN 25 CO -0.77 0.07 -0.35 1.28 -0.67 0.00 0.00 178.83 178.40 1ufz n LEU 26 N -4.59 -0.45 -4.84 1.46 4.77 0.39 -4.84 117.00 108.90 1ufz n LEU 26 Ca 0.36 1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 57.08 1ufz n LEU 26 Cb 1.41 -2.97 -0.05 0.00 -2.33 0.00 0.00 43.42 39.48 1ufz n LEU 26 CO 0.24 -2.42 -0.18 -0.44 -1.33 0.00 0.00 177.39 173.27 1ufz s SER 27 N -4.90 5.71 0.05 -1.43 0.01 -1.26 -4.93 113.70 106.95 1ufz s SER 27 Ca 0.00 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.06 1ufz s SER 27 Cb 0.00 -1.54 -0.03 0.00 0.21 0.00 0.00 66.02 64.66 1ufz s SER 27 CO 0.00 0.04 1.20 -0.08 0.41 0.00 0.00 173.24 174.81 1ufz h GLU 28 N 2.12 -0.05 -0.30 12.44 4.81 -1.99 0.38 114.58 132.00 1ufz h GLU 28 Ca -0.48 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1ufz h GLU 28 Cb 1.21 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1ufz h GLU 28 CO 0.63 -0.03 -0.20 0.82 -0.73 0.00 0.00 179.01 179.50 1ufz h ILE 29 N -0.05 0.00 -0.51 2.32 2.04 -1.99 0.33 117.51 119.65 1ufz h ILE 29 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1ufz h ILE 29 Cb 0.17 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 1ufz h ILE 29 CO -0.30 0.00 -0.33 0.44 0.00 0.00 0.00 178.15 177.96 1ufz h ASP 30 N -0.03 -1.19 -0.85 1.72 3.32 -1.74 0.52 116.42 118.16 1ufz h ASP 30 Ca 0.05 0.18 0.09 0.00 0.02 0.00 0.00 57.03 57.36 1ufz h ASP 30 Cb 0.16 0.52 -0.11 0.00 0.22 0.00 0.00 39.33 40.12 1ufz h ASP 30 CO -0.30 -0.14 -0.56 -0.61 -1.72 0.00 0.00 179.24 175.91 1ufz h GLN 31 N -0.03 -0.09 -1.21 3.56 -0.00 0.11 1.50 115.11 118.94 1ufz h GLN 31 Ca 0.08 0.01 0.39 0.00 -0.00 0.00 0.00 58.65 59.13 1ufz h GLN 31 Cb 0.25 0.02 -0.13 0.00 0.00 0.00 0.00 27.48 27.62 1ufz h GLN 31 CO -0.50 -0.06 0.76 0.00 0.00 0.00 0.00 178.83 179.03 1ufz h ALA 32 N 0.45 2.51 -0.12 3.38 0.00 0.17 1.15 119.26 126.79 1ufz h ALA 32 Ca 0.15 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1ufz h ALA 32 Cb 0.47 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ufz h ALA 32 CO -0.86 -1.12 -0.27 0.00 0.00 0.00 0.00 179.25 177.01 1ufz h ARG 33 N 0.16 0.40 0.74 0.00 2.47 0.34 -2.48 114.38 116.00 1ufz h ARG 33 Ca 0.78 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 59.20 1ufz h ARG 33 Cb 2.26 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.61 1ufz h ARG 33 CO -0.45 0.87 -0.50 1.25 0.56 0.00 0.00 179.97 181.70 1ufz h LEU 34 N -0.02 -1.29 -1.53 3.04 6.46 0.37 -1.86 115.31 120.47 1ufz h LEU 34 Ca 0.00 0.08 0.27 0.00 -0.12 0.00 0.00 57.88 58.11 1ufz h LEU 34 Cb 0.87 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 41.11 1ufz h LEU 34 CO 0.06 -0.74 0.69 1.88 -0.62 0.00 0.00 178.44 179.71 1ufz h TYR 35 N -1.17 0.48 -0.34 1.25 0.05 -0.71 0.90 116.97 117.43 1ufz h TYR 35 Ca -0.10 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.80 1ufz h TYR 35 Cb 0.96 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1ufz h TYR 35 CO -0.14 0.05 0.29 0.77 -1.05 0.00 0.00 178.16 178.08 1ufz h SER 36 N 0.30 0.00 0.61 3.88 0.02 -0.84 0.41 113.55 117.93 1ufz h SER 36 Ca 0.57 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.24 1ufz h SER 36 Cb 1.62 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.15 1ufz h SER 36 CO -0.21 0.00 -1.38 0.00 -1.14 0.00 0.00 176.83 174.09 1ufz n LEU 38 N -3.39 0.00 -0.56 0.00 7.99 0.13 0.23 117.00 121.41 1ufz n LEU 38 Ca -0.11 0.77 0.43 0.00 -0.01 0.00 0.00 56.01 57.09 1ufz n LEU 38 Cb 1.02 -0.27 0.66 0.00 -0.11 0.00 0.00 43.42 44.72 1ufz n LEU 38 CO 0.50 -0.27 1.20 -0.67 -1.51 0.00 0.00 177.39 176.63 1ufz n ASP 39 N -1.32 0.04 0.00 -1.43 2.03 -0.53 0.21 116.55 115.54 1ufz n ASP 39 Ca 0.00 0.90 0.00 0.00 0.52 0.00 0.00 54.79 56.21 1ufz n ASP 39 Cb 0.00 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1ufz n ASP 39 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ufz n HIS 40 N -3.76 0.00 -0.09 -0.67 -0.00 -0.92 -3.26 115.22 106.51 1ufz n HIS 40 Ca 0.37 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.47 1ufz n HIS 40 Cb 1.62 -0.20 -0.01 0.00 -0.12 0.00 0.00 29.99 31.28 1ufz n HIS 40 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 1ufz h MET 41 N 0.00 -0.22 -0.66 1.57 4.05 0.46 -1.91 114.93 118.22 1ufz h MET 41 Ca 0.00 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.52 1ufz h MET 41 Cb 0.00 0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 30.74 1ufz h MET 41 CO 0.00 -0.15 -0.50 -0.09 0.23 0.00 0.00 176.91 176.40 1ufz h ARG 42 N -0.23 -0.20 -0.20 0.39 1.12 0.23 1.99 114.38 117.49 1ufz h ARG 42 Ca 0.17 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.11 1ufz h ARG 42 Cb 0.50 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 1ufz h ARG 42 CO -0.48 -0.13 0.51 0.93 -3.11 0.00 0.00 179.97 177.68 1ufz h GLU 43 N -0.21 0.00 0.00 0.20 3.07 -1.34 2.57 114.58 118.88 1ufz h GLU 43 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1ufz h GLU 43 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1ufz h GLU 43 CO -0.75 0.00 0.00 0.28 -1.40 0.00 0.00 179.01 177.14 1ufz n VAL 44 N -3.12 0.00 0.07 3.13 0.31 0.61 -4.55 118.33 114.78 1ufz n VAL 44 Ca 0.03 0.21 -0.23 0.00 -0.01 0.00 0.00 64.34 64.35 1ufz n VAL 44 Cb 0.61 -0.98 -0.15 0.00 -0.91 0.00 0.00 33.84 32.41 1ufz n VAL 44 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ufz h LEU 45 N 0.00 0.58 -1.50 7.52 4.07 0.49 -3.32 115.31 123.15 1ufz h LEU 45 Ca 0.00 -0.91 0.45 0.00 0.08 0.00 0.00 57.88 57.50 1ufz h LEU 45 Cb 0.00 -0.19 -0.08 0.00 1.08 0.00 0.00 40.66 41.47 1ufz h LEU 45 CO 0.00 1.68 1.06 0.61 -1.08 0.00 0.00 178.44 180.70 1ufz n GLY 46 N 1.78 -0.79 0.32 0.83 0.00 0.84 0.19 105.19 108.37 1ufz n GLY 46 Ca -0.22 0.59 0.15 0.00 0.00 0.00 0.00 46.02 46.55 1ufz n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ufz h ASP 47 N 0.00 0.36 0.00 1.61 1.82 -1.09 -3.26 116.42 115.86 1ufz h ASP 47 Ca 0.77 0.16 -0.15 0.00 -0.39 0.00 0.00 57.03 57.42 1ufz h ASP 47 Cb 2.92 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 43.04 1ufz h ASP 47 CO -0.12 -0.03 -1.32 0.00 -1.61 0.00 0.00 179.24 176.17 1ufz n ALA 48 N -2.47 2.12 -1.49 -0.78 0.00 0.52 -5.03 120.51 113.38 1ufz n ALA 48 Ca 0.24 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 1ufz n ALA 48 Cb 0.72 0.28 0.05 0.00 0.00 0.00 0.00 19.45 20.50 1ufz n ALA 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ufz s VAL 49 N -2.29 3.59 0.00 0.00 -7.23 0.37 -5.05 120.40 109.79 1ufz s VAL 49 Ca -0.16 0.62 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1ufz s VAL 49 Cb 0.05 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1ufz s VAL 49 CO 0.22 -0.57 0.00 -0.81 -0.31 0.00 0.00 175.10 173.62 1ufz n PRO 50 N -2.81 0.25 -0.07 4.82 -0.04 -1.26 -3.81 135.00 132.08 1ufz n PRO 50 Ca 0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 1ufz n PRO 50 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 1ufz n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ufz n ASP 51 N -1.50 2.01 0.30 3.54 5.75 -1.26 -4.09 116.55 121.30 1ufz n ASP 51 Ca 0.00 0.22 -0.18 0.00 -0.01 0.00 0.00 54.79 54.82 1ufz n ASP 51 Cb 0.00 -0.80 -0.10 0.00 -1.03 0.00 0.00 41.12 39.19 1ufz n ASP 51 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ufz h ASP 52 N -0.38 -1.40 -1.19 -1.12 3.32 -1.97 0.92 116.42 114.60 1ufz h ASP 52 Ca -0.47 0.11 0.45 0.00 0.02 0.00 0.00 57.03 57.14 1ufz h ASP 52 Cb 1.76 0.46 -0.16 0.00 0.22 0.00 0.00 39.33 41.61 1ufz h ASP 52 CO -0.10 -0.68 0.72 -0.38 -1.72 0.00 0.00 179.24 177.08 1ufz n ILE 53 N -5.55 -0.33 -0.04 0.35 -0.00 -1.26 0.80 119.36 113.33 1ufz n ILE 53 Ca -0.12 1.91 -0.10 0.00 -0.00 0.00 0.00 62.75 64.43 1ufz n ILE 53 Cb 0.47 -3.11 -0.09 0.00 -0.00 0.00 0.00 39.64 36.91 1ufz n ILE 53 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1ufz h LEU 54 N 0.00 -0.04 -0.85 1.39 3.38 -1.28 -3.17 115.31 114.74 1ufz h LEU 54 Ca 0.86 -0.61 0.21 0.00 0.09 0.00 0.00 57.88 58.43 1ufz h LEU 54 Cb 2.55 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 43.18 1ufz h LEU 54 CO -0.61 0.72 0.28 0.74 0.09 0.00 0.00 178.44 179.66 1ufz h THR 55 N -0.94 0.42 -0.47 0.22 2.02 0.71 0.29 112.91 115.17 1ufz h THR 55 Ca -0.00 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1ufz h THR 55 Cb 0.65 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1ufz h THR 55 CO 0.01 0.05 0.17 -0.33 0.37 0.00 0.00 175.52 175.80 1ufz h GLU 56 N 0.30 0.34 -0.68 6.66 5.08 0.24 -1.13 114.58 125.39 1ufz h GLU 56 Ca 0.52 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.98 1ufz h GLU 56 Cb 0.99 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 1ufz h GLU 56 CO -0.57 0.23 0.25 0.00 -1.00 0.00 0.00 179.01 177.92 1ufz h ALA 57 N 1.30 0.91 0.24 3.43 0.00 -0.42 0.89 119.26 125.60 1ufz h ALA 57 Ca 0.22 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ufz h ALA 57 Cb 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ufz h ALA 57 CO -0.21 -0.21 -0.40 0.82 0.00 0.00 0.00 179.25 179.25 1ufz h ILE 58 N 0.42 0.19 0.00 0.00 2.04 -0.62 0.25 117.51 119.78 1ufz h ILE 58 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 1ufz h ILE 58 Cb 0.50 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1ufz h ILE 58 CO -0.36 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.97 1ufz n LEU 59 N -5.47 0.60 0.22 1.44 7.99 -0.61 0.13 117.00 121.30 1ufz n LEU 59 Ca -0.08 0.69 0.10 0.00 -0.01 0.00 0.00 56.01 56.70 1ufz n LEU 59 Cb 0.38 -0.66 0.41 0.00 -0.11 0.00 0.00 43.42 43.44 1ufz n LEU 59 CO 0.23 -0.69 0.78 0.50 -1.51 0.00 0.00 177.39 176.70 1ufz h LYS 60 N 0.00 0.00 -0.18 3.23 1.63 0.42 -3.21 116.57 118.46 1ufz h LYS 60 Ca 0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 1ufz h LYS 60 Cb 0.23 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 31.50 1ufz h LYS 60 CO 0.00 0.23 -1.00 0.72 -3.45 0.00 0.00 179.45 175.95 1ufz n HIS 61 N -3.35 0.57 -3.67 1.91 8.25 -0.18 -5.02 115.22 113.71 1ufz n HIS 61 Ca 0.00 -1.23 -0.29 0.00 -0.26 0.00 0.00 57.72 55.95 1ufz n HIS 61 Cb 0.46 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 31.38 1ufz n HIS 61 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ufz n LYS 62 N -0.08 -1.62 -2.95 -0.41 4.76 0.14 -3.54 118.16 114.45 1ufz n LYS 62 Ca 0.10 0.93 -0.00 0.00 -2.87 0.00 0.00 58.31 56.46 1ufz n LYS 62 Cb 0.98 -2.08 -0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1ufz n LYS 62 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ufz n PHE 63 N -1.83 -1.98 -2.75 2.13 3.01 0.12 -4.97 117.46 111.19 1ufz n PHE 63 Ca -0.25 0.90 -0.07 0.00 1.01 0.00 0.00 57.45 59.04 1ufz n PHE 63 Cb 0.68 -2.47 0.04 0.00 -0.01 0.00 0.00 39.48 37.72 1ufz n PHE 63 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ufz n ASP 64 N 1.09 -2.99 -0.33 4.37 -0.08 -1.23 -5.02 116.55 112.35 1ufz n ASP 64 Ca -0.01 -3.19 -0.07 0.00 -1.51 0.00 0.00 54.79 50.01 1ufz n ASP 64 Cb 0.26 1.80 -0.03 0.00 2.34 0.00 0.00 41.12 45.49 1ufz n ASP 64 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ufz h VAL 65 N 3.38 0.03 -0.89 5.18 2.07 -1.93 1.47 116.25 125.56 1ufz h VAL 65 Ca -0.11 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.78 1ufz h VAL 65 Cb 1.05 0.03 -0.16 0.00 -1.52 0.00 0.00 31.29 30.69 1ufz h VAL 65 CO 0.25 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.31 1ufz n GLN 66 N -5.38 -0.05 -0.08 1.57 1.13 -1.26 0.24 117.38 113.54 1ufz n GLN 66 Ca 0.05 1.24 -0.13 0.00 -1.94 0.00 0.00 57.00 56.22 1ufz n GLN 66 Cb 0.34 -2.22 -0.07 0.00 0.11 0.00 0.00 30.24 28.41 1ufz n GLN 66 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1ufz h LYS 67 N 0.00 0.00 -1.03 -1.09 1.63 0.77 -2.88 116.57 113.96 1ufz h LYS 67 Ca 0.75 0.00 0.33 0.00 -0.85 0.00 0.00 60.65 60.88 1ufz h LYS 67 Cb 1.99 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 33.47 1ufz h LYS 67 CO -0.69 0.52 0.60 0.00 -3.45 0.00 0.00 179.45 176.43 1ufz h ALA 68 N -0.70 2.03 0.42 5.00 0.00 0.39 0.66 119.26 127.06 1ufz h ALA 68 Ca -0.16 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ufz h ALA 68 Cb 0.87 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ufz h ALA 68 CO -0.10 -0.64 -0.20 -0.07 0.00 0.00 0.00 179.25 178.24 1ufz h LEU 69 N 0.31 -0.48 -1.82 0.00 3.38 0.29 1.49 115.31 118.47 1ufz h LEU 69 Ca 0.74 0.02 0.39 0.00 0.09 0.00 0.00 57.88 59.11 1ufz h LEU 69 Cb 1.74 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 42.54 1ufz h LEU 69 CO -0.58 -0.08 0.94 -1.28 0.09 0.00 0.00 178.44 177.53 1ufz h SER 70 N -1.09 0.10 0.00 -0.43 0.87 -0.77 1.52 113.55 113.75 1ufz h SER 70 Ca -0.06 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 1ufz h SER 70 Cb 0.44 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1ufz h SER 70 CO 0.10 -0.01 -0.78 0.58 -0.53 0.00 0.00 176.83 176.18 1ufz h VAL 71 N 0.07 1.01 -0.52 2.23 2.07 0.30 -3.07 116.25 118.34 1ufz h VAL 71 Ca 0.68 -2.04 0.10 0.00 0.82 0.00 0.00 66.70 66.26 1ufz h VAL 71 Cb 2.50 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 34.38 1ufz h VAL 71 CO -0.11 0.34 0.06 0.58 0.02 0.00 0.00 177.57 178.46 1ufz h VAL 72 N -1.00 0.65 0.42 2.57 2.07 0.47 0.69 116.25 122.12 1ufz h VAL 72 Ca -0.20 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1ufz h VAL 72 Cb 1.07 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1ufz h VAL 72 CO -0.12 0.03 -0.32 -0.07 0.02 0.00 0.00 177.57 177.11 1ufz h LEU 73 N 0.18 -0.86 -0.23 2.57 3.38 0.19 -0.91 115.31 119.63 1ufz h LEU 73 Ca 0.27 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.34 1ufz h LEU 73 Cb 0.39 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1ufz h LEU 73 CO -0.39 -0.46 -0.46 -0.08 0.09 0.00 0.00 178.44 177.14 1ufz h GLU 74 N -0.71 -0.44 -0.87 1.13 4.81 -1.34 -2.04 114.58 115.12 1ufz h GLU 74 Ca -0.05 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1ufz h GLU 74 Cb 0.59 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.97 1ufz h GLU 74 CO 0.01 -0.30 -0.54 0.37 -0.73 0.00 0.00 179.01 177.82 1ufz h GLN 75 N -0.46 -0.04 -0.99 1.92 4.15 0.50 1.62 115.11 121.80 1ufz h GLN 75 Ca 0.08 0.00 0.35 0.00 0.77 0.00 0.00 58.65 59.86 1ufz h GLN 75 Cb 0.63 0.01 -0.18 0.00 0.21 0.00 0.00 27.48 28.15 1ufz h GLN 75 CO -0.47 -0.02 0.36 0.22 -1.93 0.00 0.00 178.83 176.99 1ufz h ASP 76 N -0.04 0.06 0.12 -0.69 3.58 -0.44 0.80 116.42 119.81 1ufz h ASP 76 Ca 0.14 0.26 -0.24 0.00 0.42 0.00 0.00 57.03 57.61 1ufz h ASP 76 Cb 0.40 0.33 0.03 0.00 1.72 0.00 0.00 39.33 41.80 1ufz h ASP 76 CO -0.83 -0.37 -1.01 1.23 -2.88 0.00 0.00 179.24 175.37 1ufz h GLY 77 N 0.04 0.53 -0.34 -0.78 0.00 0.16 -1.69 103.07 100.99 1ufz h GLY 77 Ca 0.74 -1.17 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1ufz h GLY 77 CO -0.80 1.03 -0.20 0.23 0.00 0.00 0.00 176.54 176.79 1ufz h SER 78 N -0.03 -0.75 0.00 0.19 0.87 0.87 -3.35 113.55 111.35 1ufz h SER 78 Ca -0.16 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ufz h SER 78 Cb 1.74 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 64.04 1ufz h SER 78 CO 0.19 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.02 1ufz n GLY 79 N -1.09 -0.27 2.54 5.77 0.00 -0.79 -5.00 105.19 106.36 1ufz n GLY 79 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ufz n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ufz n PRO 80 N -1.96 -1.69 0.00 1.61 -0.04 -0.64 -5.09 135.00 127.20 1ufz n PRO 80 Ca 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1ufz n PRO 80 Cb 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1ufz n PRO 80 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ufz n SER 81 N -3.94 0.00 -0.99 3.54 3.41 -1.17 -3.53 113.62 110.94 1ufz n SER 81 Ca 0.11 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 1ufz n SER 81 Cb 0.40 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1ufz n SER 81 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ufz n SER 82 N 0.00 -5.95 0.00 4.04 7.64 -1.26 -5.11 113.62 112.98 1ufz n SER 82 Ca 0.00 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1ufz n SER 82 Cb 0.00 -3.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 1ufz n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64