#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 6.07 -0.20 1.61 0.01 -1.26 -4.94 113.70 115.00 1ufz s SER 2 Ca 0.00 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1ufz s SER 2 Cb 0.00 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.73 1ufz s SER 2 CO 0.00 -1.88 0.01 -0.55 0.41 0.00 0.00 173.24 171.23 1ufz s SER 3 N 4.66 3.14 0.00 2.44 0.15 -1.26 -5.08 113.70 117.75 1ufz s SER 3 Ca 0.42 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1ufz s SER 3 Cb -0.07 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1ufz s SER 3 CO 0.11 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1ufz n GLY 4 N 4.96 -0.36 1.62 9.45 0.00 -1.26 -5.06 105.19 114.54 1ufz n GLY 4 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ufz n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ufz n SER 5 N 0.00 0.32 0.00 1.61 7.64 -1.26 -5.03 113.62 116.90 1ufz n SER 5 Ca 0.00 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1ufz n SER 5 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1ufz n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ufz n SER 6 N -3.46 0.00 -2.91 6.43 2.88 -1.26 -4.79 113.62 110.51 1ufz n SER 6 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ufz n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ufz n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufz n GLY 7 N 0.00 -2.60 0.09 0.46 0.00 -1.26 -4.87 105.19 97.01 1ufz n GLY 7 Ca 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 1ufz n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ufz h GLU 8 N 3.27 0.00 -0.03 1.61 5.08 -2.00 -3.24 114.58 119.26 1ufz h GLU 8 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ufz h GLU 8 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ufz h GLU 8 CO 0.06 0.97 -0.00 1.88 -1.00 0.00 0.00 179.01 180.92 1ufz h TYR 9 N -1.00 0.07 -0.00 4.33 -1.99 -2.01 -3.09 116.97 113.28 1ufz h TYR 9 Ca -0.22 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.51 1ufz h TYR 9 Cb 1.17 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.86 1ufz h TYR 9 CO 0.15 0.38 -0.26 0.78 -0.00 0.00 0.00 178.16 179.22 1ufz h GLY 10 N -0.27 -1.27 -0.89 3.88 0.00 -1.96 -2.02 103.07 100.55 1ufz h GLY 10 Ca 0.01 0.63 0.16 0.00 0.00 0.00 0.00 47.33 48.13 1ufz h GLY 10 CO 0.00 -0.39 -0.27 2.98 0.00 0.00 0.00 176.54 178.86 1ufz n TYR 11 N -3.92 0.20 0.00 5.60 4.19 -1.22 0.08 117.16 122.08 1ufz n TYR 11 Ca -0.04 1.09 -0.15 0.00 3.31 0.00 0.00 57.90 62.11 1ufz n TYR 11 Cb 0.19 -0.94 -0.09 0.00 0.49 0.00 0.00 39.34 38.99 1ufz n TYR 11 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1ufz h GLU 12 N 0.00 -0.56 -0.39 2.98 4.81 -1.30 -0.26 114.58 119.87 1ufz h GLU 12 Ca 0.38 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.73 1ufz h GLU 12 Cb 0.60 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.02 1ufz h GLU 12 CO -0.90 -0.37 -0.28 -0.44 -0.73 0.00 0.00 179.01 176.29 1ufz h ASP 13 N -0.58 -0.94 -0.75 1.04 5.19 0.22 0.21 116.42 120.82 1ufz h ASP 13 Ca 0.04 0.18 0.14 0.00 -0.62 0.00 0.00 57.03 56.77 1ufz h ASP 13 Cb 0.68 0.45 -0.14 0.00 0.18 0.00 0.00 39.33 40.50 1ufz h ASP 13 CO -0.42 -0.29 -0.27 0.25 -3.12 0.00 0.00 179.24 175.39 1ufz h LEU 14 N -0.22 -0.96 -0.71 1.55 5.85 -0.05 -3.47 115.31 117.30 1ufz h LEU 14 Ca 0.18 0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1ufz h LEU 14 Cb 0.51 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1ufz h LEU 14 CO -0.51 -0.28 -0.73 0.54 -0.34 0.00 0.00 178.44 177.12 1ufz n ARG 15 N -5.49 -3.42 -2.10 1.25 1.74 0.06 -4.51 116.66 104.20 1ufz n ARG 15 Ca 0.09 2.59 -0.29 0.00 -0.77 0.00 0.00 57.85 59.47 1ufz n ARG 15 Cb 0.39 -3.04 -0.05 0.00 -1.02 0.00 0.00 32.46 28.73 1ufz n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ufz s GLU 16 N -4.59 2.61 0.01 5.56 2.12 -1.26 -4.92 118.70 118.23 1ufz s GLU 16 Ca 0.00 -0.91 -0.01 0.00 0.36 0.00 0.00 54.97 54.41 1ufz s GLU 16 Cb 0.00 -5.20 -0.04 0.00 0.26 0.00 0.00 34.13 29.15 1ufz s GLU 16 CO 0.00 -3.65 0.15 -1.12 -0.54 0.00 0.00 175.26 170.10 1ufz s SER 17 N 6.87 6.14 -0.15 -1.70 0.01 -1.26 -5.04 113.70 118.57 1ufz s SER 17 Ca 0.68 0.26 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 1ufz s SER 17 Cb -0.03 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.29 1ufz s SER 17 CO 0.08 0.24 -0.16 -1.54 0.41 0.00 0.00 173.24 172.27 1ufz n SER 18 N 0.87 1.82 -2.74 2.44 3.41 -1.26 -5.07 113.62 113.09 1ufz n SER 18 Ca -0.10 0.60 -0.02 0.00 -0.26 0.00 0.00 58.87 59.09 1ufz n SER 18 Cb 0.52 -0.87 -0.01 0.00 -0.26 0.00 0.00 64.21 63.59 1ufz n SER 18 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ufz n ASN 19 N -4.59 -5.88 -0.09 4.04 3.02 -1.26 -4.91 115.26 105.59 1ufz n ASN 19 Ca -0.10 1.32 -0.09 0.00 -0.03 0.00 0.00 54.58 55.69 1ufz n ASN 19 Cb 0.32 -4.91 -0.03 0.00 -0.61 0.00 0.00 39.78 34.54 1ufz n ASN 19 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ufz n SER 20 N 1.08 1.89 0.06 6.41 7.64 -1.26 -3.93 113.62 125.51 1ufz n SER 20 Ca -0.11 0.45 -0.10 0.00 1.01 0.00 0.00 58.87 60.12 1ufz n SER 20 Cb 0.22 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.55 1ufz n SER 20 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ufz h LEU 21 N -1.00 -0.21 -0.35 -3.43 3.38 -1.98 -1.48 115.31 110.24 1ufz h LEU 21 Ca -0.05 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1ufz h LEU 21 Cb 0.85 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1ufz h LEU 21 CO -0.03 0.34 -0.42 -0.07 0.09 0.00 0.00 178.44 178.35 1ufz h LEU 22 N -0.93 -1.42 0.10 1.67 4.07 -1.98 0.46 115.31 117.28 1ufz h LEU 22 Ca -0.03 0.19 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1ufz h LEU 22 Cb 0.48 0.59 -0.05 0.00 1.08 0.00 0.00 40.66 42.76 1ufz h LEU 22 CO 0.04 -0.29 -0.52 -1.13 -1.08 0.00 0.00 178.44 175.46 1ufz h ASN 23 N -0.27 -1.57 -0.98 -0.43 -1.24 -1.68 -0.68 115.58 108.73 1ufz h ASN 23 Ca 0.06 0.17 0.25 0.00 0.71 0.00 0.00 56.30 57.49 1ufz h ASN 23 Cb 0.43 0.58 -0.18 0.00 0.73 0.00 0.00 38.32 39.88 1ufz h ASN 23 CO -0.47 -0.55 -0.04 -0.74 -1.29 0.00 0.00 177.43 174.34 1ufz h HIS 24 N -0.74 -0.16 -0.88 0.67 2.76 -0.34 0.95 115.15 117.42 1ufz h HIS 24 Ca 0.00 0.07 0.21 0.00 -2.20 0.00 0.00 60.37 58.45 1ufz h HIS 24 Cb 0.75 0.23 -0.16 0.00 1.55 0.00 0.00 27.41 29.78 1ufz h HIS 24 CO -0.45 -0.42 -0.06 0.37 -1.30 0.00 0.00 177.93 176.06 1ufz h GLN 25 N 0.01 0.04 -4.73 5.26 4.15 0.15 -3.47 115.11 116.52 1ufz h GLN 25 Ca 0.56 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.98 1ufz h GLN 25 Cb 1.10 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 1ufz h GLN 25 CO -0.93 0.03 -0.97 1.28 -1.93 0.00 0.00 178.83 176.30 1ufz n LEU 26 N -5.46 -5.96 -4.38 -2.39 4.77 0.33 -4.86 117.00 99.05 1ufz n LEU 26 Ca 0.17 2.61 -0.36 0.00 -0.03 0.00 0.00 56.01 58.40 1ufz n LEU 26 Cb 0.56 -3.09 0.06 0.00 -2.33 0.00 0.00 43.42 38.62 1ufz n LEU 26 CO -0.03 -2.98 -0.21 -1.20 -1.33 0.00 0.00 177.39 171.64 1ufz n SER 27 N 1.87 -2.18 -0.15 -1.43 7.64 -1.26 -4.36 113.62 113.74 1ufz n SER 27 Ca -0.06 0.53 0.27 0.00 1.01 0.00 0.00 58.87 60.62 1ufz n SER 27 Cb 0.09 -1.11 0.71 0.00 -1.01 0.00 0.00 64.21 62.89 1ufz n SER 27 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1ufz h GLU 28 N -0.50 0.02 0.00 1.43 4.11 -1.98 0.13 114.58 117.77 1ufz h GLU 28 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ufz h GLU 28 Cb 1.35 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1ufz h GLU 28 CO 0.39 0.01 0.00 -0.89 0.07 0.00 0.00 179.01 178.59 1ufz n ILE 29 N -4.30 0.00 -0.16 -1.06 -0.00 -1.26 -1.39 119.36 111.20 1ufz n ILE 29 Ca 0.17 1.21 -0.06 0.00 -0.00 0.00 0.00 62.75 64.07 1ufz n ILE 29 Cb 0.89 -2.18 -0.01 0.00 -0.00 0.00 0.00 39.64 38.34 1ufz n ILE 29 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1ufz h ASP 30 N 0.00 -1.11 -0.81 4.38 5.19 -1.76 -0.94 116.42 121.37 1ufz h ASP 30 Ca 0.00 0.21 0.09 0.00 -0.62 0.00 0.00 57.03 56.70 1ufz h ASP 30 Cb 0.00 0.54 -0.11 0.00 0.18 0.00 0.00 39.33 39.93 1ufz h ASP 30 CO 0.00 -0.31 -0.55 -0.61 -3.12 0.00 0.00 179.24 174.65 1ufz h GLN 31 N -0.21 -0.12 -0.31 3.56 4.15 -0.83 0.28 115.11 121.63 1ufz h GLN 31 Ca 0.20 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.66 1ufz h GLN 31 Cb 0.54 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 1ufz h GLN 31 CO -0.60 -0.08 -0.26 0.00 -1.93 0.00 0.00 178.83 175.96 1ufz h ALA 32 N 0.46 -0.39 -0.70 3.38 0.00 0.06 0.47 119.26 122.54 1ufz h ALA 32 Ca 0.16 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.23 1ufz h ALA 32 Cb 0.49 1.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.17 1ufz h ALA 32 CO -0.83 -0.54 -0.20 0.00 0.00 0.00 0.00 179.25 177.68 1ufz h ARG 33 N -0.10 -0.02 0.11 0.00 3.08 -0.74 0.70 114.38 117.41 1ufz h ARG 33 Ca 0.05 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1ufz h ARG 33 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1ufz h ARG 33 CO -0.34 -0.01 -0.52 1.25 -1.07 0.00 0.00 179.97 179.27 1ufz h LEU 34 N -0.02 -1.58 -0.69 3.04 5.85 0.20 -1.53 115.31 120.58 1ufz h LEU 34 Ca 0.33 0.17 0.15 0.00 0.84 0.00 0.00 57.88 59.37 1ufz h LEU 34 Cb 0.53 0.58 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 1ufz h LEU 34 CO -0.73 -0.55 -0.05 1.88 -0.34 0.00 0.00 178.44 178.64 1ufz h TYR 35 N -0.74 -0.15 -0.31 1.25 0.05 0.15 1.32 116.97 118.54 1ufz h TYR 35 Ca -0.00 0.05 0.09 0.00 0.05 0.00 0.00 58.73 58.92 1ufz h TYR 35 Cb 0.75 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 1ufz h TYR 35 CO -0.46 -0.24 0.44 1.03 -1.05 0.00 0.00 178.16 177.88 1ufz h SER 36 N 0.07 0.00 0.00 3.88 0.87 0.05 0.32 113.55 118.74 1ufz h SER 36 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1ufz h SER 36 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1ufz h SER 36 CO -0.64 0.00 -0.19 0.00 -0.53 0.00 0.00 176.83 175.47 1ufz n LEU 38 N -2.95 0.00 -0.35 0.00 0.00 0.18 0.19 117.00 114.07 1ufz n LEU 38 Ca -0.03 0.74 -0.08 0.00 0.00 0.00 0.00 56.01 56.64 1ufz n LEU 38 Cb 0.10 -0.26 -0.06 0.00 0.00 0.00 0.00 43.42 43.19 1ufz n LEU 38 CO 0.04 -0.26 0.42 -0.67 0.00 0.00 0.00 177.39 176.92 1ufz n ASP 39 N -2.08 -0.84 0.00 1.96 2.03 0.08 0.22 116.55 117.92 1ufz n ASP 39 Ca 0.00 1.50 0.00 0.00 0.52 0.00 0.00 54.79 56.81 1ufz n ASP 39 Cb 0.00 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 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 -5.09 0.00 -0.31 -0.67 -0.00 0.05 -1.38 115.22 107.82 1ufz n HIS 40 Ca 0.03 0.00 0.34 0.00 0.46 0.00 0.00 57.72 58.55 1ufz n HIS 40 Cb 0.24 -0.22 0.60 0.00 -0.12 0.00 0.00 29.99 30.48 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 0.00 0.30 1.57 1.85 0.30 0.60 114.93 119.54 1ufz h MET 41 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1ufz h MET 41 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1ufz h MET 41 CO 0.00 0.00 -0.15 -0.09 -0.40 0.00 0.00 176.91 176.27 1ufz h ARG 42 N 0.00 -0.40 0.00 0.39 2.43 0.40 0.33 114.38 117.53 1ufz h ARG 42 Ca 0.57 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 1ufz h ARG 42 Cb 2.87 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 32.51 1ufz h ARG 42 CO -0.01 -0.27 0.18 1.49 -1.51 0.00 0.00 179.97 179.85 1ufz h GLU 43 N -0.42 0.00 0.00 0.20 4.57 0.70 2.14 114.58 121.77 1ufz h GLU 43 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ufz h GLU 43 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1ufz h GLU 43 CO 0.06 0.00 0.00 0.28 -1.18 0.00 0.00 179.01 178.17 1ufz n VAL 44 N -2.43 0.00 -0.03 0.32 0.31 -0.28 -4.67 118.33 111.55 1ufz n VAL 44 Ca -0.02 0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 64.44 1ufz n VAL 44 Cb 0.22 -1.12 -0.14 0.00 -0.91 0.00 0.00 33.84 31.89 1ufz n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ufz n LEU 45 N -1.79 1.88 -0.50 7.52 4.32 0.10 -4.14 117.00 124.39 1ufz n LEU 45 Ca 0.00 0.22 0.39 0.00 -0.02 0.00 0.00 56.01 56.60 1ufz n LEU 45 Cb 0.00 -0.54 0.62 0.00 -1.62 0.00 0.00 43.42 41.88 1ufz n LEU 45 CO 0.00 0.68 1.12 0.61 -1.22 0.00 0.00 177.39 178.58 1ufz n GLY 46 N 1.86 -0.75 0.36 -0.72 0.00 0.71 0.61 105.19 107.27 1ufz n GLY 46 Ca -0.29 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.28 0.00 1.61 1.82 -1.31 -3.31 116.42 113.95 1ufz h ASP 47 Ca 0.74 0.28 -0.17 0.00 -0.39 0.00 0.00 57.03 57.50 1ufz h ASP 47 Cb 2.76 0.67 -0.02 0.00 0.68 0.00 0.00 39.33 43.42 1ufz h ASP 47 CO -0.16 -0.29 -1.42 0.00 -1.61 0.00 0.00 179.24 175.75 1ufz n ALA 48 N -3.36 2.10 -1.77 -0.78 0.00 0.20 -5.01 120.51 111.89 1ufz n ALA 48 Ca 0.09 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1ufz n ALA 48 Cb 0.39 0.28 0.01 0.00 0.00 0.00 0.00 19.45 20.13 1ufz n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ufz s VAL 49 N -2.29 2.14 0.00 0.00 1.01 0.62 -5.01 120.40 116.87 1ufz s VAL 49 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1ufz s VAL 49 Cb 0.06 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1ufz s VAL 49 CO 0.23 0.03 0.00 -0.81 0.00 0.00 0.00 175.10 174.54 1ufz n PRO 50 N 0.17 0.68 -0.09 2.72 -0.04 -1.26 -3.68 135.00 133.51 1ufz n PRO 50 Ca 0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 1ufz n PRO 50 Cb 0.41 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.78 1ufz n PRO 50 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1ufz h ASP 51 N -0.11 0.00 -0.90 3.54 2.03 -1.95 -3.34 116.42 115.70 1ufz h ASP 51 Ca 0.00 -0.38 0.08 0.00 -0.73 0.00 0.00 57.03 56.00 1ufz h ASP 51 Cb 0.00 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.39 1ufz h ASP 51 CO 0.00 1.20 -0.53 0.47 -1.03 0.00 0.00 179.24 179.35 1ufz n ASP 52 N -4.51 -0.96 -0.33 4.15 8.00 -1.26 0.20 116.55 121.83 1ufz n ASP 52 Ca -0.22 1.66 -0.07 0.00 0.71 0.00 0.00 54.79 56.88 1ufz n ASP 52 Cb 0.52 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1ufz n ASP 52 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ufz h ILE 53 N 0.00 0.03 0.55 0.53 2.04 -1.97 0.92 117.51 119.61 1ufz h ILE 53 Ca 0.14 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1ufz h ILE 53 Cb 0.37 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1ufz h ILE 53 CO -0.85 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 176.97 1ufz h LEU 54 N -0.08 -0.62 -0.81 1.44 3.38 -0.24 -2.22 115.31 116.16 1ufz h LEU 54 Ca 0.23 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.35 1ufz h LEU 54 Cb 0.53 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.30 1ufz h LEU 54 CO -0.87 -0.43 -0.30 0.74 0.09 0.00 0.00 178.44 177.67 1ufz h THR 55 N -0.76 0.12 -0.13 0.22 2.02 0.45 0.16 112.91 114.97 1ufz h THR 55 Ca -0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1ufz h THR 55 Cb 0.58 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 1ufz h THR 55 CO 0.12 0.00 -0.29 -0.33 0.37 0.00 0.00 175.52 175.39 1ufz h GLU 56 N -0.05 -0.35 -0.77 6.66 4.39 0.98 -1.05 114.58 124.38 1ufz h GLU 56 Ca 0.33 0.02 0.15 0.00 0.34 0.00 0.00 59.36 60.21 1ufz h GLU 56 Cb 0.59 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.17 1ufz h GLU 56 CO -0.84 -0.23 -0.22 0.00 -1.16 0.00 0.00 179.01 176.55 1ufz h ALA 57 N 0.51 0.44 0.21 3.43 0.00 -0.11 1.69 119.26 125.44 1ufz h ALA 57 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ufz h ALA 57 Cb 0.51 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1ufz h ALA 57 CO -0.34 -0.45 -0.46 0.82 0.00 0.00 0.00 179.25 178.83 1ufz h ILE 58 N -0.02 0.00 0.00 0.00 2.04 -0.20 0.37 117.51 119.70 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 0.57 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ufz h ILE 58 CO -0.80 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.53 1ufz n LEU 59 N -5.10 0.51 0.11 1.44 7.99 0.01 0.08 117.00 122.04 1ufz n LEU 59 Ca -0.08 0.71 0.13 0.00 -0.01 0.00 0.00 56.01 56.75 1ufz n LEU 59 Cb 0.37 -0.74 0.44 0.00 -0.11 0.00 0.00 43.42 43.39 1ufz n LEU 59 CO 0.17 -0.81 0.88 1.17 -1.51 0.00 0.00 177.39 177.29 1ufz n LYS 60 N -2.15 0.23 -1.73 3.23 3.00 0.56 -3.45 118.16 117.85 1ufz n LYS 60 Ca -0.00 0.28 0.01 0.00 -0.00 0.00 0.00 58.31 58.60 1ufz n LYS 60 Cb 0.07 -1.82 0.02 0.00 0.00 0.00 0.00 35.03 33.30 1ufz n LYS 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ufz n HIS 61 N -2.23 0.13 -3.83 5.64 8.25 0.11 -5.02 115.22 118.27 1ufz n HIS 61 Ca 0.04 -0.88 -0.30 0.00 -0.26 0.00 0.00 57.72 56.33 1ufz n HIS 61 Cb 0.36 0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.51 1ufz n HIS 61 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ufz n LYS 62 N 0.10 -1.02 -2.67 -0.41 4.81 0.18 -3.72 118.16 115.43 1ufz n LYS 62 Ca -0.01 0.45 -0.05 0.00 -0.87 0.00 0.00 58.31 57.83 1ufz n LYS 62 Cb 0.99 -2.08 -0.04 0.00 0.02 0.00 0.00 35.03 33.92 1ufz n LYS 62 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ufz n PHE 63 N -3.27 -3.99 -2.71 5.64 3.01 0.18 -4.98 117.46 111.33 1ufz n PHE 63 Ca -0.23 2.28 -0.05 0.00 1.01 0.00 0.00 57.45 60.45 1ufz n PHE 63 Cb 0.60 -3.63 0.05 0.00 -0.01 0.00 0.00 39.48 36.49 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 1.72 -2.30 -0.38 4.37 2.03 -1.24 -5.03 116.55 115.72 1ufz n ASP 64 Ca -0.35 -2.34 -0.03 0.00 0.52 0.00 0.00 54.79 52.58 1ufz n ASP 64 Cb 0.55 1.29 0.01 0.00 -0.72 0.00 0.00 41.12 42.25 1ufz n ASP 64 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ufz h VAL 65 N 2.86 0.01 -0.88 5.18 2.07 -1.94 1.19 116.25 124.74 1ufz h VAL 65 Ca -0.10 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.53 1ufz h VAL 65 Cb 1.12 0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 30.77 1ufz h VAL 65 CO 0.03 0.00 -0.50 1.56 0.02 0.00 0.00 177.57 178.69 1ufz h GLN 66 N -0.01 -0.07 0.61 1.57 1.08 -1.98 1.78 115.11 118.10 1ufz h GLN 66 Ca 0.30 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.48 1ufz h GLN 66 Cb 0.56 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1ufz h GLN 66 CO -0.97 -0.05 -0.29 0.87 -0.95 0.00 0.00 178.83 177.44 1ufz h LYS 67 N -0.07 -0.79 -0.98 1.46 1.79 -0.79 0.44 116.57 117.63 1ufz h LYS 67 Ca 0.22 0.05 0.34 0.00 -2.18 0.00 0.00 60.65 59.08 1ufz h LYS 67 Cb 0.51 0.18 -0.18 0.00 -1.58 0.00 0.00 32.23 31.16 1ufz h LYS 67 CO -0.88 -0.53 0.26 0.00 -1.08 0.00 0.00 179.45 177.22 1ufz n ALA 68 N -2.68 0.74 0.02 3.86 0.00 0.37 0.73 120.51 123.55 1ufz n ALA 68 Ca -0.10 1.03 -0.12 0.00 0.00 0.00 0.00 53.44 54.25 1ufz n ALA 68 Cb 0.32 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 1ufz n ALA 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ufz h LEU 69 N 0.00 -0.11 -1.84 0.00 3.38 0.28 1.44 115.31 118.46 1ufz h LEU 69 Ca 0.71 -0.46 0.33 0.00 0.09 0.00 0.00 57.88 58.56 1ufz h LEU 69 Cb 1.69 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 1ufz h LEU 69 CO -0.84 0.46 0.82 0.28 0.09 0.00 0.00 178.44 179.25 1ufz h SER 70 N -0.76 0.11 0.01 -0.43 0.02 0.50 1.52 113.55 114.52 1ufz h SER 70 Ca -0.01 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 1ufz h SER 70 Cb 0.56 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1ufz h SER 70 CO 0.02 0.01 -1.59 0.52 -1.14 0.00 0.00 176.83 174.65 1ufz n VAL 71 N -4.29 1.55 0.28 2.27 0.31 0.22 -2.69 118.33 115.98 1ufz n VAL 71 Ca 0.26 -0.14 0.16 0.00 -0.01 0.00 0.00 64.34 64.61 1ufz n VAL 71 Cb 1.19 -1.98 0.86 0.00 -0.91 0.00 0.00 33.84 32.99 1ufz n VAL 71 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ufz h VAL 72 N -0.93 0.00 0.00 2.52 2.07 0.35 0.43 116.25 120.69 1ufz h VAL 72 Ca -0.43 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 1ufz h VAL 72 Cb 1.42 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1ufz h VAL 72 CO -0.24 0.00 -0.94 -0.07 0.02 0.00 0.00 177.57 176.35 1ufz h LEU 73 N 0.00 0.00 -1.06 2.57 3.38 0.20 -3.35 115.31 117.04 1ufz h LEU 73 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ufz h LEU 73 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ufz h LEU 73 CO 0.00 1.21 0.00 -1.84 0.09 0.00 0.00 178.44 177.90 1ufz n GLU 74 N -4.51 0.13 -0.04 1.13 0.28 -0.60 -1.36 120.64 115.68 1ufz n GLU 74 Ca -0.22 0.56 -0.06 0.00 -0.16 0.00 0.00 57.16 57.28 1ufz n GLU 74 Cb 0.52 -1.87 0.13 0.00 1.43 0.00 0.00 31.44 31.65 1ufz n GLU 74 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1ufz h GLN 75 N 0.00 0.63 0.20 3.44 5.75 -0.32 -3.10 115.11 121.72 1ufz h GLN 75 Ca 0.00 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1ufz h GLN 75 Cb 0.09 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1ufz h GLN 75 CO 0.00 0.84 -0.10 0.22 -2.65 0.00 0.00 178.83 177.14 1ufz h ASP 76 N 0.55 -0.23 -1.13 -0.69 1.82 -1.38 -2.62 116.42 112.74 1ufz h ASP 76 Ca 0.07 -0.20 0.33 0.00 -0.39 0.00 0.00 57.03 56.84 1ufz h ASP 76 Cb 0.75 0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.77 1ufz h ASP 76 CO 0.06 0.09 0.99 1.23 -1.61 0.00 0.00 179.24 180.00 1ufz h GLY 77 N -0.57 0.00 0.16 -0.78 0.00 -1.59 0.44 103.07 100.74 1ufz h GLY 77 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.43 1ufz h GLY 77 CO 0.05 0.00 0.19 0.23 0.00 0.00 0.00 176.54 177.00 1ufz h SER 78 N 0.00 0.10 0.00 0.19 0.87 -1.39 -2.86 113.55 110.46 1ufz h SER 78 Ca 0.54 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 1ufz h SER 78 Cb 2.52 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 64.61 1ufz h SER 78 CO -0.01 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 1ufz n GLY 79 N -1.32 -3.00 3.11 5.77 0.00 0.16 -2.96 105.19 106.95 1ufz n GLY 79 Ca 0.11 0.42 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.36 2.21 -3.63 1.61 -0.04 -1.08 -4.81 135.00 126.92 1ufz n PRO 80 Ca 0.00 -2.39 -0.19 0.00 -0.04 0.00 0.00 63.50 60.87 1ufz n PRO 80 Cb 0.00 -3.24 -0.16 0.00 -0.04 0.00 0.00 33.50 30.06 1ufz n PRO 80 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ufz s SER 81 N 4.49 1.20 -0.17 3.54 1.04 -1.15 -4.98 113.70 117.67 1ufz s SER 81 Ca 0.55 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.99 1ufz s SER 81 Cb 0.11 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1ufz s SER 81 CO 0.05 -0.28 -0.06 -0.94 0.98 0.00 0.00 173.24 172.99 1ufz s SER 82 N 2.25 4.50 0.00 7.02 1.04 -1.26 -5.09 113.70 122.15 1ufz s SER 82 Ca 0.04 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1ufz s SER 82 Cb -0.13 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1ufz s SER 82 CO -0.07 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.88