#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 5.41 -0.06 1.61 0.15 -1.26 -5.05 113.70 114.51 1ufz s SER 2 Ca 0.00 -0.16 -0.09 0.00 0.70 0.00 0.00 55.95 56.41 1ufz s SER 2 Cb 0.00 -1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 62.89 1ufz s SER 2 CO 0.00 0.08 -0.18 -1.20 1.20 0.00 0.00 173.24 173.15 1ufz n SER 3 N -0.23 1.44 0.00 5.45 7.64 -1.26 -5.03 113.62 121.62 1ufz n SER 3 Ca -0.09 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1ufz n SER 3 Cb 0.54 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1ufz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufz n GLY 4 N 2.41 2.42 3.07 0.23 0.00 -1.26 -5.01 105.19 107.06 1ufz n GLY 4 Ca -0.11 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 3.20 -5.26 -1.47 1.61 3.41 -1.26 -4.66 113.62 109.20 1ufz n SER 5 Ca 0.00 0.20 0.18 0.00 -0.26 0.00 0.00 58.87 58.99 1ufz n SER 5 Cb 0.00 -0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 63.03 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 2.62 -8.43 -3.32 4.04 7.64 -1.26 -4.75 113.62 110.16 1ufz n SER 6 Ca -0.00 1.25 -0.26 0.00 1.01 0.00 0.00 58.87 60.86 1ufz n SER 6 Cb 0.56 -4.88 -0.07 0.00 -1.01 0.00 0.00 64.21 58.80 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 -4.36 4.27 0.10 0.23 0.00 -1.26 -4.83 105.19 99.34 1ufz n GLY 7 Ca -0.07 -2.41 0.02 0.00 0.00 0.00 0.00 46.02 43.57 1ufz n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ufz h GLU 8 N 4.03 0.00 -0.96 1.61 9.09 -1.92 -3.34 114.58 123.09 1ufz h GLU 8 Ca 0.16 0.00 0.23 0.00 0.05 0.00 0.00 59.36 59.79 1ufz h GLU 8 Cb 0.72 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.75 1ufz h GLU 8 CO 0.72 0.27 0.63 1.88 0.05 0.00 0.00 179.01 182.56 1ufz h TYR 9 N 0.00 0.57 -0.54 2.06 0.05 -1.96 -1.99 116.97 115.17 1ufz h TYR 9 Ca -0.13 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.73 1ufz h TYR 9 Cb 1.49 -0.17 -0.09 0.00 1.01 0.00 0.00 36.73 38.96 1ufz h TYR 9 CO 0.00 0.12 -0.55 0.78 -1.05 0.00 0.00 178.16 177.45 1ufz h GLY 10 N 0.40 -0.93 -0.86 3.88 0.00 -1.99 -1.56 103.07 102.01 1ufz h GLY 10 Ca 0.52 0.72 0.08 0.00 0.00 0.00 0.00 47.33 48.64 1ufz h GLY 10 CO -0.21 -0.09 -0.51 -1.72 0.00 0.00 0.00 176.54 174.01 1ufz n TYR 11 N -5.36 -0.38 -0.16 5.60 4.01 -0.75 -0.43 117.16 119.70 1ufz n TYR 11 Ca -0.02 1.07 -0.13 0.00 -0.16 0.00 0.00 57.90 58.66 1ufz n TYR 11 Cb 0.33 -0.57 -0.10 0.00 -0.31 0.00 0.00 39.34 38.70 1ufz n TYR 11 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ufz h GLU 12 N 0.00 -0.33 -0.29 -0.72 3.07 -1.42 0.63 114.58 115.52 1ufz h GLU 12 Ca 0.14 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.06 1ufz h GLU 12 Cb 0.35 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.27 1ufz h GLU 12 CO -0.81 -0.22 -0.53 -0.44 -1.40 0.00 0.00 179.01 175.61 1ufz h ASP 13 N -0.35 -1.72 -0.76 1.42 5.19 -0.32 0.18 116.42 120.05 1ufz h ASP 13 Ca 0.08 0.22 0.18 0.00 -0.62 0.00 0.00 57.03 56.88 1ufz h ASP 13 Cb 0.56 0.69 -0.12 0.00 0.18 0.00 0.00 39.33 40.64 1ufz h ASP 13 CO -0.61 -0.41 0.11 -0.07 -3.12 0.00 0.00 179.24 175.13 1ufz h LEU 14 N -0.45 -0.16 -0.31 1.55 -0.00 0.33 -0.22 115.31 116.06 1ufz h LEU 14 Ca 0.05 0.18 0.06 0.00 -0.00 0.00 0.00 57.88 58.17 1ufz h LEU 14 Cb 0.60 0.27 -0.08 0.00 -0.00 0.00 0.00 40.66 41.45 1ufz h LEU 14 CO -0.51 -0.12 -0.46 -0.09 -0.00 0.00 0.00 178.44 177.26 1ufz h ARG 15 N 0.18 -0.39 -2.68 1.13 2.43 0.32 -3.47 114.38 111.89 1ufz h ARG 15 Ca 0.43 0.03 0.32 0.00 -0.81 0.00 0.00 59.98 59.95 1ufz h ARG 15 Cb 0.77 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.32 1ufz h ARG 15 CO -0.60 -0.26 -0.53 0.39 -1.51 0.00 0.00 179.97 177.46 1ufz n GLU 16 N -5.42 -2.45 -0.65 0.20 1.02 -0.10 -5.05 120.64 108.20 1ufz n GLU 16 Ca -0.02 1.68 0.00 0.00 -0.02 0.00 0.00 57.16 58.80 1ufz n GLU 16 Cb 0.36 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 28.81 1ufz n GLU 16 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ufz n SER 17 N -3.76 -4.59 -0.08 1.62 2.88 -1.26 -4.95 113.62 103.48 1ufz n SER 17 Ca -0.00 0.47 -0.15 0.00 -1.33 0.00 0.00 58.87 57.86 1ufz n SER 17 Cb 0.55 -1.13 -0.11 0.00 -0.75 0.00 0.00 64.21 62.76 1ufz n SER 17 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ufz h SER 18 N 1.04 0.00 -4.59 -3.46 0.87 -2.02 -3.50 113.55 101.89 1ufz h SER 18 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1ufz h SER 18 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ufz h SER 18 CO 0.00 1.08 -0.99 0.59 -0.53 0.00 0.00 176.83 176.98 1ufz n ASN 19 N -4.58 -9.39 -0.18 6.23 4.13 -1.26 -3.53 115.26 106.69 1ufz n ASN 19 Ca -0.15 1.63 -0.02 0.00 1.68 0.00 0.00 54.58 57.73 1ufz n ASN 19 Cb 0.49 -5.21 0.06 0.00 -1.54 0.00 0.00 39.78 33.57 1ufz n ASN 19 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1ufz h SER 20 N 4.37 -0.40 -0.16 6.41 0.87 -1.97 0.25 113.55 122.92 1ufz h SER 20 Ca 0.00 0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1ufz h SER 20 Cb 0.00 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1ufz h SER 20 CO 0.00 -0.15 -0.16 0.25 -0.53 0.00 0.00 176.83 176.24 1ufz h LEU 21 N 0.04 -0.56 -0.06 2.23 7.12 -2.00 1.14 115.31 123.23 1ufz h LEU 21 Ca 0.27 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.40 1ufz h LEU 21 Cb 0.42 0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 40.73 1ufz h LEU 21 CO -0.53 -0.11 -0.37 -0.07 -0.13 0.00 0.00 178.44 177.23 1ufz h LEU 22 N -0.09 -1.14 -0.96 2.25 3.38 -1.61 0.80 115.31 117.94 1ufz h LEU 22 Ca 0.03 0.15 0.30 0.00 0.09 0.00 0.00 57.88 58.45 1ufz h LEU 22 Cb 0.16 0.46 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 1ufz h LEU 22 CO -0.20 -0.41 0.44 -1.13 0.09 0.00 0.00 178.44 177.23 1ufz h ASN 23 N -0.50 0.29 -0.87 -0.43 -0.73 0.41 0.48 115.58 114.24 1ufz h ASN 23 Ca 0.07 0.20 0.15 0.00 1.87 0.00 0.00 56.30 58.59 1ufz h ASN 23 Cb 0.60 0.21 -0.15 0.00 0.27 0.00 0.00 38.32 39.25 1ufz h ASN 23 CO -0.33 -0.18 -0.33 -0.74 -0.37 0.00 0.00 177.43 175.48 1ufz h HIS 24 N 0.25 -0.88 0.00 0.67 2.76 0.38 0.77 115.15 119.10 1ufz h HIS 24 Ca 0.68 0.09 -0.07 0.00 -2.20 0.00 0.00 60.37 58.88 1ufz h HIS 24 Cb 1.53 0.52 -0.01 0.00 1.55 0.00 0.00 27.41 30.99 1ufz h HIS 24 CO -0.11 -0.39 -0.49 -0.56 -1.30 0.00 0.00 177.93 175.07 1ufz h GLN 25 N -0.04 0.00 -3.86 5.26 3.07 -0.22 -3.50 115.11 115.82 1ufz h GLN 25 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.08 1ufz h GLN 25 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1ufz h GLN 25 CO -0.89 0.26 -0.82 1.28 0.09 0.00 0.00 178.83 178.75 1ufz n LEU 26 N -3.09 -5.52 -4.67 0.06 4.77 0.27 -4.84 117.00 103.99 1ufz n LEU 26 Ca 0.01 2.82 -0.43 0.00 -0.03 0.00 0.00 56.01 58.38 1ufz n LEU 26 Cb 0.66 -2.84 -0.01 0.00 -2.33 0.00 0.00 43.42 38.90 1ufz n LEU 26 CO 0.39 -1.48 0.83 -1.20 -1.33 0.00 0.00 177.39 174.60 1ufz n SER 27 N 1.60 2.40 -0.35 -1.43 7.64 -1.26 -4.50 113.62 117.71 1ufz n SER 27 Ca 0.00 1.19 0.02 0.00 1.01 0.00 0.00 58.87 61.10 1ufz n SER 27 Cb 0.00 -1.43 0.09 0.00 -1.01 0.00 0.00 64.21 61.86 1ufz n SER 27 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ufz n GLU 28 N 0.79 -0.15 -0.13 1.43 4.07 -1.26 -0.25 120.64 125.15 1ufz n GLU 28 Ca 0.07 1.46 -0.08 0.00 -0.06 0.00 0.00 57.16 58.55 1ufz n GLU 28 Cb 0.34 -2.18 -0.06 0.00 -0.06 0.00 0.00 31.44 29.49 1ufz n GLU 28 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1ufz h ILE 29 N 0.00 0.00 0.09 6.31 2.04 -2.00 0.67 117.51 124.62 1ufz h ILE 29 Ca 0.39 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.27 1ufz h ILE 29 Cb 0.63 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1ufz h ILE 29 CO -0.95 0.00 -0.45 0.44 0.00 0.00 0.00 178.15 177.18 1ufz h ASP 30 N -0.18 -1.36 -0.87 1.72 3.32 -0.95 -2.29 116.42 115.82 1ufz h ASP 30 Ca 0.06 0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.34 1ufz h ASP 30 Cb 0.33 0.51 -0.11 0.00 0.22 0.00 0.00 39.33 40.28 1ufz h ASP 30 CO -0.41 -0.50 -0.58 -0.61 -1.72 0.00 0.00 179.24 175.42 1ufz h GLN 31 N -0.67 -0.09 -0.94 3.56 4.15 0.32 0.79 115.11 122.24 1ufz h GLN 31 Ca 0.02 0.01 0.24 0.00 0.77 0.00 0.00 58.65 59.69 1ufz h GLN 31 Cb 0.70 0.02 -0.17 0.00 0.21 0.00 0.00 27.48 28.24 1ufz h GLN 31 CO -0.28 -0.06 0.02 0.00 -1.93 0.00 0.00 178.83 176.58 1ufz h ALA 32 N 0.41 1.06 0.78 3.38 0.00 0.83 0.27 119.26 125.99 1ufz h ALA 32 Ca 0.15 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1ufz h ALA 32 Cb 0.46 0.55 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ufz h ALA 32 CO -0.86 -0.52 -0.38 0.00 0.00 0.00 0.00 179.25 177.49 1ufz h ARG 33 N 0.04 -1.01 -0.96 0.00 2.47 0.92 0.34 114.38 116.18 1ufz h ARG 33 Ca 0.55 0.07 0.16 0.00 -1.26 0.00 0.00 59.98 59.50 1ufz h ARG 33 Cb 1.09 0.23 -0.16 0.00 -1.65 0.00 0.00 29.97 29.48 1ufz h ARG 33 CO -0.86 -0.67 -0.36 1.25 0.56 0.00 0.00 179.97 179.89 1ufz h LEU 34 N -1.26 -1.33 -0.75 3.04 7.12 0.18 1.15 115.31 123.46 1ufz h LEU 34 Ca -0.11 0.30 -0.08 0.00 0.13 0.00 0.00 57.88 58.13 1ufz h LEU 34 Cb 0.81 0.72 -0.03 0.00 -0.53 0.00 0.00 40.66 41.63 1ufz h LEU 34 CO 0.18 -0.30 0.08 1.88 -0.13 0.00 0.00 178.44 180.15 1ufz h TYR 35 N -0.01 1.10 0.00 1.25 0.05 -0.54 0.67 116.97 119.48 1ufz h TYR 35 Ca 0.36 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 1ufz h TYR 35 Cb 0.61 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1ufz h TYR 35 CO -0.84 0.94 -0.06 0.77 -1.05 0.00 0.00 178.16 177.92 1ufz h SER 36 N 0.96 0.00 0.39 3.88 0.02 0.51 1.57 113.55 120.89 1ufz h SER 36 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1ufz h SER 36 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ufz h SER 36 CO 0.01 0.06 -1.13 0.00 -1.14 0.00 0.00 176.83 174.63 1ufz n LEU 38 N -2.01 1.85 -0.33 0.00 7.94 0.27 -3.39 117.00 121.33 1ufz n LEU 38 Ca 0.01 0.53 0.19 0.00 -1.11 0.00 0.00 56.01 55.64 1ufz n LEU 38 Cb 0.45 -0.84 0.40 0.00 0.53 0.00 0.00 43.42 43.97 1ufz n LEU 38 CO 0.41 -0.36 1.11 -0.78 -1.11 0.00 0.00 177.39 176.66 1ufz h ASP 39 N -1.00 0.52 0.32 1.96 1.82 0.19 1.67 116.42 121.90 1ufz h ASP 39 Ca -0.03 0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1ufz h ASP 39 Cb 0.71 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1ufz h ASP 39 CO -0.02 -0.02 -0.15 -0.74 -1.61 0.00 0.00 179.24 176.70 1ufz h HIS 40 N 0.43 -0.40 0.00 0.28 2.76 -1.72 -1.71 115.15 114.80 1ufz h HIS 40 Ca 0.66 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.82 1ufz h HIS 40 Cb 1.37 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.46 1ufz h HIS 40 CO -0.04 -0.17 0.00 -0.12 -1.30 0.00 0.00 177.93 176.30 1ufz n MET 41 N -5.22 0.16 -0.02 5.26 1.56 0.73 -2.90 117.12 116.69 1ufz n MET 41 Ca -0.10 0.39 -0.13 0.00 -0.27 0.00 0.00 57.70 57.59 1ufz n MET 41 Cb 0.22 -1.80 -0.10 0.00 2.15 0.00 0.00 33.22 33.69 1ufz n MET 41 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ufz h ARG 42 N 0.00 -0.04 0.00 2.12 2.47 0.30 -1.23 114.38 118.00 1ufz h ARG 42 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ufz h ARG 42 Cb 0.35 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1ufz h ARG 42 CO 0.00 0.61 0.13 1.49 0.56 0.00 0.00 179.97 182.77 1ufz h GLU 43 N -0.76 0.00 0.00 0.04 4.22 -1.20 2.10 114.58 118.98 1ufz h GLU 43 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ufz h GLU 43 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ufz h GLU 43 CO 0.01 0.00 0.00 0.28 -2.18 0.00 0.00 179.01 177.12 1ufz n VAL 44 N -2.31 0.00 -0.05 0.32 0.31 -1.16 -4.70 118.33 110.74 1ufz n VAL 44 Ca -0.01 0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1ufz n VAL 44 Cb 0.17 -1.09 -0.14 0.00 -0.91 0.00 0.00 33.84 31.86 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 -1.75 1.27 -0.54 7.52 4.32 -0.49 -4.20 117.00 123.11 1ufz n LEU 45 Ca 0.00 0.17 0.42 0.00 -0.02 0.00 0.00 56.01 56.58 1ufz n LEU 45 Cb 0.00 -0.14 0.65 0.00 -1.62 0.00 0.00 43.42 42.31 1ufz n LEU 45 CO 0.00 0.59 1.18 0.61 -1.22 0.00 0.00 177.39 178.55 1ufz n GLY 46 N 1.80 -0.79 0.37 -0.72 0.00 0.70 0.13 105.19 106.67 1ufz n GLY 46 Ca -0.29 0.59 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 1ufz n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ufz n ASP 47 N -3.77 -0.59 -0.06 1.61 9.92 -0.47 -3.28 116.55 119.91 1ufz n ASP 47 Ca 0.36 1.67 -0.10 0.00 -0.53 0.00 0.00 54.79 56.19 1ufz n ASP 47 Cb 1.59 -0.39 -0.05 0.00 -0.64 0.00 0.00 41.12 41.62 1ufz n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ufz n ALA 48 N -3.51 1.86 -1.77 2.24 0.00 0.12 -5.01 120.51 114.45 1ufz n ALA 48 Ca 0.10 -0.53 -0.39 0.00 0.00 0.00 0.00 53.44 52.62 1ufz n ALA 48 Cb 0.39 0.25 -0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.25 2.70 0.00 0.00 1.01 0.34 -5.03 120.40 117.18 1ufz s VAL 49 Ca -0.17 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ufz s VAL 49 Cb 0.05 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1ufz s VAL 49 CO 0.27 0.07 0.00 -0.81 0.00 0.00 0.00 175.10 174.63 1ufz n PRO 50 N -0.01 0.54 -0.10 2.72 -0.04 -1.26 -3.91 135.00 132.94 1ufz n PRO 50 Ca 0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1ufz n PRO 50 Cb 0.44 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.93 1.87 -0.23 3.54 5.75 -1.26 -4.02 116.55 121.27 1ufz n ASP 51 Ca 0.00 0.44 -0.06 0.00 -0.01 0.00 0.00 54.79 55.16 1ufz n ASP 51 Cb 0.00 -0.91 -0.06 0.00 -1.03 0.00 0.00 41.12 39.12 1ufz n ASP 51 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ufz n ASP 52 N -4.44 -0.59 -0.25 -1.12 2.03 -1.26 0.19 116.55 111.12 1ufz n ASP 52 Ca -0.31 1.43 -0.07 0.00 0.52 0.00 0.00 54.79 56.37 1ufz n ASP 52 Cb 0.63 -0.35 -0.06 0.00 -0.72 0.00 0.00 41.12 40.62 1ufz n ASP 52 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ufz n ILE 53 N -4.25 -0.41 -0.09 5.18 5.41 -1.26 0.15 119.36 124.08 1ufz n ILE 53 Ca 0.01 2.02 -0.06 0.00 1.00 0.00 0.00 62.75 65.72 1ufz n ILE 53 Cb 0.14 -2.55 0.00 0.00 -0.71 0.00 0.00 39.64 36.53 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 -0.47 0.03 1.39 3.38 -1.12 -2.02 115.31 116.51 1ufz h LEU 54 Ca 0.10 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1ufz h LEU 54 Cb 0.24 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1ufz h LEU 54 CO -0.56 -0.17 -0.40 0.74 0.09 0.00 0.00 178.44 178.13 1ufz h THR 55 N -0.07 0.00 -0.95 0.22 2.02 0.64 -1.88 112.91 112.89 1ufz h THR 55 Ca 0.17 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.51 1ufz h THR 55 Cb 0.33 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.58 1ufz h THR 55 CO -0.39 0.00 -0.34 -0.62 0.37 0.00 0.00 175.52 174.55 1ufz n GLU 56 N -4.73 -0.19 -0.26 6.66 1.02 0.39 0.13 120.64 123.67 1ufz n GLU 56 Ca -0.06 1.47 0.00 0.00 -0.02 0.00 0.00 57.16 58.56 1ufz n GLU 56 Cb 0.30 -2.19 0.07 0.00 -0.02 0.00 0.00 31.44 29.61 1ufz n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ufz h ALA 57 N 1.48 0.40 0.11 0.62 0.00 -0.64 1.64 119.26 122.88 1ufz h ALA 57 Ca 0.37 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1ufz h ALA 57 Cb 0.60 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1ufz h ALA 57 CO -0.96 -0.46 -0.44 0.82 0.00 0.00 0.00 179.25 178.21 1ufz h ILE 58 N -0.03 0.00 0.00 0.00 2.04 0.14 0.49 117.51 120.15 1ufz h ILE 58 Ca 0.34 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.20 1ufz h ILE 58 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1ufz h ILE 58 CO -0.77 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.56 1ufz n LEU 59 N -4.97 0.52 0.22 1.44 7.99 -0.10 -0.15 117.00 121.94 1ufz n LEU 59 Ca -0.07 0.71 0.11 0.00 -0.01 0.00 0.00 56.01 56.75 1ufz n LEU 59 Cb 0.35 -0.73 0.32 0.00 -0.11 0.00 0.00 43.42 43.24 1ufz n LEU 59 CO 0.13 -0.80 0.79 0.50 -1.51 0.00 0.00 177.39 176.50 1ufz h LYS 60 N 0.00 0.00 -0.20 3.23 1.63 0.72 -3.25 116.57 118.70 1ufz h LYS 60 Ca 0.00 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.59 1ufz h LYS 60 Cb 0.10 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 31.36 1ufz h LYS 60 CO 0.00 0.14 -1.01 0.72 -3.45 0.00 0.00 179.45 175.85 1ufz n HIS 61 N -3.18 0.62 -3.58 1.91 8.25 0.79 -5.02 115.22 115.01 1ufz n HIS 61 Ca 0.02 -1.28 -0.27 0.00 -0.26 0.00 0.00 57.72 55.93 1ufz n HIS 61 Cb 0.50 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.11 -1.53 -2.98 -0.41 4.76 0.32 -3.41 118.16 114.80 1ufz n LYS 62 Ca 0.10 0.87 -0.04 0.00 -2.87 0.00 0.00 58.31 56.37 1ufz n LYS 62 Cb 0.97 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.74 -2.32 -2.81 2.13 3.01 0.20 -4.98 117.46 110.95 1ufz n PHE 63 Ca -0.23 1.01 -0.09 0.00 1.01 0.00 0.00 57.45 59.15 1ufz n PHE 63 Cb 0.64 -2.68 0.02 0.00 -0.01 0.00 0.00 39.48 37.45 1ufz n PHE 63 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ufz n ASP 64 N 0.77 -2.72 -0.21 4.37 8.00 -1.22 -5.02 116.55 120.52 1ufz n ASP 64 Ca 0.00 -3.12 -0.06 0.00 0.71 0.00 0.00 54.79 52.33 1ufz n ASP 64 Cb 0.29 1.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.92 1ufz n ASP 64 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ufz h VAL 65 N 3.52 0.15 -0.99 2.53 2.07 -1.92 1.26 116.25 122.87 1ufz h VAL 65 Ca -0.06 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.69 1ufz h VAL 65 Cb 1.04 0.15 -0.19 0.00 -1.52 0.00 0.00 31.29 30.77 1ufz h VAL 65 CO 0.26 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.72 1ufz n GLN 66 N -5.43 -0.08 -0.01 1.57 6.02 -1.26 0.21 117.38 118.40 1ufz n GLN 66 Ca 0.04 1.51 -0.04 0.00 -0.01 0.00 0.00 57.00 58.50 1ufz n GLN 66 Cb 0.36 -2.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.26 1ufz n GLN 66 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1ufz h LYS 67 N 0.00 -0.10 -1.22 -1.09 1.63 -0.88 -1.78 116.57 113.13 1ufz h LYS 67 Ca 0.53 0.01 0.43 0.00 -0.85 0.00 0.00 60.65 60.77 1ufz h LYS 67 Cb 0.95 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.46 1ufz h LYS 67 CO -0.98 0.09 0.75 0.00 -3.45 0.00 0.00 179.45 175.86 1ufz h ALA 68 N -0.84 2.53 0.09 5.00 0.00 0.27 0.90 119.26 127.20 1ufz h ALA 68 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ufz h ALA 68 Cb 0.23 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ufz h ALA 68 CO 0.02 -1.22 -0.04 -0.07 0.00 0.00 0.00 179.25 177.93 1ufz h LEU 69 N 0.07 -0.10 -1.96 0.00 3.38 0.25 1.30 115.31 118.25 1ufz h LEU 69 Ca 0.84 -0.49 0.19 0.00 0.09 0.00 0.00 57.88 58.50 1ufz h LEU 69 Cb 2.47 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 43.22 1ufz h LEU 69 CO -0.55 0.53 0.55 -1.28 0.09 0.00 0.00 178.44 177.78 1ufz h SER 70 N -0.82 0.00 0.01 -0.43 0.87 0.14 1.45 113.55 114.77 1ufz h SER 70 Ca -0.01 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.25 1ufz h SER 70 Cb 0.59 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 1ufz h SER 70 CO 0.02 0.00 -1.61 0.52 -0.53 0.00 0.00 176.83 175.23 1ufz n VAL 71 N -4.01 1.55 -0.23 2.23 0.31 0.20 -3.92 118.33 114.45 1ufz n VAL 71 Ca 0.13 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ufz n VAL 71 Cb 0.79 -1.98 0.12 0.00 -0.91 0.00 0.00 33.84 31.86 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 -0.92 0.86 -0.12 2.52 2.07 0.28 0.52 116.25 121.46 1ufz h VAL 72 Ca -0.44 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1ufz h VAL 72 Cb 1.43 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1ufz h VAL 72 CO -0.24 0.11 -0.40 -0.07 0.02 0.00 0.00 177.57 176.99 1ufz h LEU 73 N 0.58 -1.27 0.41 2.57 3.38 0.18 0.56 115.31 121.72 1ufz h LEU 73 Ca 0.33 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 1ufz h LEU 73 Cb 0.32 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1ufz h LEU 73 CO -0.25 -0.35 -0.50 -0.33 0.09 0.00 0.00 178.44 177.11 1ufz h GLU 74 N -0.41 -0.89 -0.94 1.13 5.08 -1.56 1.03 114.58 118.01 1ufz h GLU 74 Ca 0.03 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.67 1ufz h GLU 74 Cb 0.49 0.20 -0.18 0.00 0.50 0.00 0.00 28.75 29.77 1ufz h GLU 74 CO -0.33 -0.60 -0.08 1.96 -1.00 0.00 0.00 179.01 178.96 1ufz h GLN 75 N -0.93 0.02 0.24 2.33 4.20 -0.56 0.23 115.11 120.64 1ufz h GLN 75 Ca -0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1ufz h GLN 75 Cb 0.83 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1ufz h GLN 75 CO -0.11 0.01 -0.12 0.22 -0.67 0.00 0.00 178.83 178.17 1ufz h ASP 76 N 0.02 -0.27 -1.32 1.46 1.82 0.80 -2.89 116.42 116.03 1ufz h ASP 76 Ca 0.52 -0.24 0.38 0.00 -0.39 0.00 0.00 57.03 57.30 1ufz h ASP 76 Cb 0.94 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 40.97 1ufz h ASP 76 CO -0.91 0.14 1.15 1.23 -1.61 0.00 0.00 179.24 179.24 1ufz h GLY 77 N -0.74 0.00 0.69 -0.78 0.00 0.41 0.96 103.07 103.61 1ufz h GLY 77 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.35 1ufz h GLY 77 CO 0.05 0.00 0.29 0.23 0.00 0.00 0.00 176.54 177.12 1ufz h SER 78 N 0.00 0.42 -0.01 0.19 0.87 -0.65 -3.07 113.55 111.30 1ufz h SER 78 Ca 0.63 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.22 1ufz h SER 78 Cb 2.92 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 64.83 1ufz h SER 78 CO -0.01 0.28 -0.02 1.23 -0.53 0.00 0.00 176.83 177.79 1ufz h GLY 79 N 0.56 -2.06 -6.58 5.77 0.00 0.83 -2.94 103.07 98.65 1ufz h GLY 79 Ca 0.25 0.89 -0.64 0.00 0.00 0.00 0.00 47.33 47.84 1ufz h GLY 79 CO -0.17 -0.78 2.45 -1.55 0.00 0.00 0.00 176.54 176.49 1ufz n PRO 80 N -2.83 2.19 -2.05 4.80 -0.04 -1.16 -4.93 135.00 130.98 1ufz n PRO 80 Ca -0.00 -2.35 -0.42 0.00 -0.04 0.00 0.00 63.50 60.69 1ufz n PRO 80 Cb 0.01 -3.21 -0.03 0.00 -0.04 0.00 0.00 33.50 30.23 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 4.43 6.71 -0.27 3.54 1.04 -1.11 -4.99 113.70 123.05 1ufz s SER 81 Ca 0.55 2.42 -0.08 0.00 0.48 0.00 0.00 55.95 59.31 1ufz s SER 81 Cb 0.11 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1ufz s SER 81 CO 0.04 -0.77 0.09 -0.94 0.98 0.00 0.00 173.24 172.65 1ufz s SER 82 N 1.54 5.24 0.00 7.02 1.04 -1.26 -5.16 113.70 122.11 1ufz s SER 82 Ca 0.68 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1ufz s SER 82 Cb -0.39 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1ufz s SER 82 CO 0.30 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.04