#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufz n SER 2 N 0.00 -7.02 -4.93 1.61 3.41 -1.26 -4.97 113.62 100.46 1ufz n SER 2 Ca 0.00 0.66 -0.26 0.00 -0.26 0.00 0.00 58.87 59.00 1ufz n SER 2 Cb 0.00 -3.20 -0.02 0.00 -0.26 0.00 0.00 64.21 60.73 1ufz n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ufz s SER 3 N -1.45 6.37 0.00 4.04 0.01 -1.26 -5.07 113.70 116.34 1ufz s SER 3 Ca 0.09 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1ufz s SER 3 Cb -0.01 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1ufz s SER 3 CO 0.47 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1ufz n GLY 4 N -1.19 1.57 3.25 3.44 0.00 -1.26 -5.08 105.19 105.90 1ufz n GLY 4 Ca -0.04 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -6.40 -3.69 1.61 7.64 -1.26 -5.00 113.62 106.52 1ufz n SER 5 Ca 0.00 0.28 -0.03 0.00 1.01 0.00 0.00 58.87 60.13 1ufz n SER 5 Cb 0.00 -2.34 -0.01 0.00 -1.01 0.00 0.00 64.21 60.85 1ufz n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ufz s SER 6 N -1.41 -0.17 -0.71 6.43 0.15 -1.26 -5.06 113.70 111.67 1ufz s SER 6 Ca 0.19 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.56 1ufz s SER 6 Cb -0.02 0.39 0.37 0.00 -1.71 0.00 0.00 66.02 65.04 1ufz s SER 6 CO 0.52 -0.70 1.58 0.61 1.20 0.00 0.00 173.24 176.45 1ufz n GLY 7 N -0.44 5.78 0.22 9.45 0.00 -1.26 -4.69 105.19 114.25 1ufz n GLY 7 Ca -0.07 -2.62 0.10 0.00 0.00 0.00 0.00 46.02 43.43 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 3.03 0.00 0.38 1.61 -0.00 -2.00 -3.18 114.58 114.42 1ufz h GLU 8 Ca 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.77 1ufz h GLU 8 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.16 1ufz h GLU 8 CO 1.14 0.23 -0.18 1.88 -0.00 0.00 0.00 179.01 182.08 1ufz h TYR 9 N 0.00 -0.48 -0.62 2.06 0.05 -2.01 -3.12 116.97 112.86 1ufz h TYR 9 Ca -0.00 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.82 1ufz h TYR 9 Cb 0.72 0.16 -0.07 0.00 1.01 0.00 0.00 36.73 38.55 1ufz h TYR 9 CO 0.00 -0.20 -0.36 0.41 -1.05 0.00 0.00 178.16 176.96 1ufz n GLY 10 N -0.79 -2.62 0.17 3.88 0.00 -1.20 0.06 105.19 104.69 1ufz n GLY 10 Ca -0.10 0.93 -0.05 0.00 0.00 0.00 0.00 46.02 46.79 1ufz n GLY 10 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ufz h TYR 11 N 0.00 -0.74 -0.33 1.61 0.05 -1.67 0.33 116.97 116.21 1ufz h TYR 11 Ca 0.10 0.05 0.06 0.00 0.05 0.00 0.00 58.73 58.99 1ufz h TYR 11 Cb 0.25 0.37 -0.08 0.00 1.01 0.00 0.00 36.73 38.28 1ufz h TYR 11 CO -0.94 -0.16 -0.44 0.93 -1.05 0.00 0.00 178.16 176.49 1ufz h GLU 12 N -0.05 -0.37 -1.01 4.88 3.07 -1.19 0.36 114.58 120.27 1ufz h GLU 12 Ca 0.05 0.03 0.31 0.00 -0.50 0.00 0.00 59.36 59.25 1ufz h GLU 12 Cb 0.19 0.08 -0.14 0.00 -0.84 0.00 0.00 28.75 28.04 1ufz h GLU 12 CO -0.34 -0.25 0.58 0.22 -1.40 0.00 0.00 179.01 177.83 1ufz h ASP 13 N -0.38 0.54 -0.23 1.42 3.58 0.85 0.55 116.42 122.76 1ufz h ASP 13 Ca 0.11 0.18 0.06 0.00 0.42 0.00 0.00 57.03 57.80 1ufz h ASP 13 Cb 0.60 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 1ufz h ASP 13 CO -0.53 -0.09 -0.18 0.25 -2.88 0.00 0.00 179.24 175.81 1ufz h LEU 14 N 0.37 -0.59 0.00 2.28 7.12 0.36 -3.45 115.31 121.40 1ufz h LEU 14 Ca 0.72 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.85 1ufz h LEU 14 Cb 1.61 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 42.04 1ufz h LEU 14 CO -0.57 -0.22 0.00 -1.14 -0.13 0.00 0.00 178.44 176.37 1ufz n ARG 15 N -5.34 0.00 -3.20 1.25 3.00 0.19 -5.11 116.66 107.45 1ufz n ARG 15 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.85 1ufz n ARG 15 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.70 1ufz n ARG 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1ufz s GLU 16 N 0.00 0.79 -0.30 -0.14 -6.30 -1.20 -4.64 118.70 106.92 1ufz s GLU 16 Ca 0.00 -0.21 -0.10 0.00 -2.50 0.00 0.00 54.97 52.16 1ufz s GLU 16 Cb 0.00 0.11 0.18 0.00 0.00 0.00 0.00 34.13 34.42 1ufz s GLU 16 CO 0.00 -1.16 1.00 0.45 0.02 0.00 0.00 175.26 175.57 1ufz s SER 17 N 1.91 -0.55 -0.12 -1.70 0.15 -1.26 -5.06 113.70 107.08 1ufz s SER 17 Ca 0.16 0.13 -0.10 0.00 0.70 0.00 0.00 55.95 56.84 1ufz s SER 17 Cb -0.04 1.37 -0.08 0.00 -1.71 0.00 0.00 66.02 65.56 1ufz s SER 17 CO -0.08 -0.10 0.23 0.77 1.20 0.00 0.00 173.24 175.26 1ufz h SER 18 N 7.52 0.00 -4.80 5.45 4.64 -2.02 -3.48 113.55 120.86 1ufz h SER 18 Ca -0.10 -0.31 -0.21 0.00 -0.47 0.00 0.00 61.79 60.70 1ufz h SER 18 Cb 1.18 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.10 1ufz h SER 18 CO -0.07 0.68 -0.70 0.20 -0.87 0.00 0.00 176.83 176.07 1ufz s ASN 19 N -5.78 0.87 -0.06 4.97 0.01 -1.26 -5.07 114.94 108.61 1ufz s ASN 19 Ca -0.07 -0.87 -0.22 0.00 -0.71 0.00 0.00 52.86 50.99 1ufz s ASN 19 Cb -0.01 0.11 -0.17 0.00 0.41 0.00 0.00 41.25 41.59 1ufz s ASN 19 CO 0.23 -0.43 0.85 0.28 -1.51 0.00 0.00 177.10 176.52 1ufz h SER 20 N 3.44 -0.12 0.36 -1.22 0.02 -1.99 -2.61 113.55 111.43 1ufz h SER 20 Ca -0.35 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.14 1ufz h SER 20 Cb 1.17 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1ufz h SER 20 CO 0.58 0.49 -0.36 -0.07 -1.14 0.00 0.00 176.83 176.33 1ufz h LEU 21 N -0.84 -1.00 -0.47 5.07 4.07 -1.98 0.38 115.31 120.55 1ufz h LEU 21 Ca -0.01 0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.07 1ufz h LEU 21 Cb 0.57 0.33 -0.06 0.00 1.08 0.00 0.00 40.66 42.57 1ufz h LEU 21 CO 0.02 -0.48 -0.31 0.25 -1.08 0.00 0.00 178.44 176.85 1ufz h LEU 22 N -0.72 -1.11 -0.46 1.67 5.85 -2.00 0.54 115.31 119.08 1ufz h LEU 22 Ca -0.04 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1ufz h LEU 22 Cb 0.62 0.49 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 1ufz h LEU 22 CO -0.05 -0.14 -0.44 -1.13 -0.34 0.00 0.00 178.44 176.34 1ufz h ASN 23 N -0.04 -1.48 -0.65 1.25 -1.24 -1.31 0.23 115.58 112.33 1ufz h ASN 23 Ca 0.08 0.23 0.11 0.00 0.71 0.00 0.00 56.30 57.42 1ufz h ASN 23 Cb 0.23 0.65 -0.12 0.00 0.73 0.00 0.00 38.32 39.82 1ufz h ASN 23 CO -0.46 -0.36 -0.37 -0.74 -1.29 0.00 0.00 177.43 174.21 1ufz h HIS 24 N -0.30 -1.06 -1.38 0.67 2.76 0.23 0.98 115.15 117.06 1ufz h HIS 24 Ca 0.15 0.08 0.43 0.00 -2.20 0.00 0.00 60.37 58.83 1ufz h HIS 24 Cb 0.58 0.56 -0.11 0.00 1.55 0.00 0.00 27.41 29.98 1ufz h HIS 24 CO -0.66 -0.40 0.91 1.96 -1.30 0.00 0.00 177.93 178.45 1ufz h GLN 25 N -0.15 0.09 -3.73 5.26 4.20 0.21 -3.46 115.11 117.52 1ufz h GLN 25 Ca 0.23 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.03 1ufz h GLN 25 Cb 0.56 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 1ufz h GLN 25 CO -0.73 0.06 -1.06 1.28 -0.67 0.00 0.00 178.83 177.70 1ufz n LEU 26 N -4.55 -1.54 -4.86 1.46 4.77 0.34 -4.89 117.00 107.73 1ufz n LEU 26 Ca 0.36 2.78 -0.31 0.00 -0.03 0.00 0.00 56.01 58.82 1ufz n LEU 26 Cb 1.46 -3.16 -0.03 0.00 -2.33 0.00 0.00 43.42 39.36 1ufz n LEU 26 CO 0.26 -1.16 0.57 -0.44 -1.33 0.00 0.00 177.39 175.28 1ufz s SER 27 N -5.89 6.52 0.22 -1.43 0.01 -1.26 -4.78 113.70 107.08 1ufz s SER 27 Ca 0.00 1.33 -0.20 0.00 1.31 0.00 0.00 55.95 58.40 1ufz s SER 27 Cb 0.00 -2.41 0.19 0.00 0.21 0.00 0.00 66.02 64.01 1ufz s SER 27 CO 0.00 -0.54 1.55 -0.08 0.41 0.00 0.00 173.24 174.58 1ufz h GLU 28 N 0.89 -0.00 0.30 12.44 4.57 -1.99 0.53 114.58 131.32 1ufz h GLU 28 Ca -0.47 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1ufz h GLU 28 Cb 1.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1ufz h GLU 28 CO 0.62 -0.00 -0.39 0.82 -1.18 0.00 0.00 179.01 178.89 1ufz h ILE 29 N -0.00 0.00 -0.89 2.32 5.03 -1.99 0.90 117.51 122.88 1ufz h ILE 29 Ca 0.32 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 65.25 1ufz h ILE 29 Cb 0.57 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.19 1ufz h ILE 29 CO -0.98 0.00 -0.15 0.44 -0.68 0.00 0.00 178.15 176.78 1ufz h ASP 30 N -0.70 -0.71 0.30 1.72 5.19 -1.32 0.97 116.42 121.87 1ufz h ASP 30 Ca -0.04 0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1ufz h ASP 30 Cb 0.63 0.51 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 1ufz h ASP 30 CO -0.09 -0.29 -0.36 1.56 -3.12 0.00 0.00 179.24 176.94 1ufz h GLN 31 N 0.01 -0.65 -0.87 3.56 4.20 0.72 0.14 115.11 122.22 1ufz h GLN 31 Ca 0.45 0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.37 1ufz h GLN 31 Cb 0.75 0.15 -0.16 0.00 0.30 0.00 0.00 27.48 28.52 1ufz h GLN 31 CO -0.88 -0.43 -0.28 0.00 -0.67 0.00 0.00 178.83 176.56 1ufz h ALA 32 N -1.10 0.38 0.36 3.87 0.00 0.12 0.79 119.26 123.68 1ufz h ALA 32 Ca -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ufz h ALA 32 Cb 0.60 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1ufz h ALA 32 CO -0.08 -0.49 -0.49 0.00 0.00 0.00 0.00 179.25 178.19 1ufz h ARG 33 N -0.03 -0.85 -0.99 0.00 3.08 -0.40 1.08 114.38 116.27 1ufz h ARG 33 Ca 0.38 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.61 1ufz h ARG 33 Cb 0.62 0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.72 1ufz h ARG 33 CO -0.89 -0.57 -0.48 -0.11 -1.07 0.00 0.00 179.97 176.84 1ufz n LEU 34 N -5.37 -0.84 -0.18 3.04 -0.00 0.43 0.16 117.00 114.24 1ufz n LEU 34 Ca -0.10 1.75 -0.08 0.00 -0.00 0.00 0.00 56.01 57.58 1ufz n LEU 34 Cb 0.43 -0.32 0.01 0.00 -0.00 0.00 0.00 43.42 43.55 1ufz n LEU 34 CO 0.22 -1.50 0.99 1.88 -0.00 0.00 0.00 177.39 178.97 1ufz h TYR 35 N 0.00 0.74 0.00 1.96 0.05 -0.68 1.73 116.97 120.76 1ufz h TYR 35 Ca 0.25 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 1ufz h TYR 35 Cb 0.50 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 1ufz h TYR 35 CO -0.94 0.58 -0.01 0.77 -1.05 0.00 0.00 178.16 177.51 1ufz h SER 36 N 0.67 0.00 0.00 3.88 0.02 0.65 -0.19 113.55 118.58 1ufz h SER 36 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1ufz h SER 36 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ufz h SER 36 CO -0.02 0.01 -0.70 0.00 -1.14 0.00 0.00 176.83 174.98 1ufz h LEU 38 N -0.95 -0.88 -1.11 0.00 6.46 0.27 1.46 115.31 120.56 1ufz h LEU 38 Ca 0.00 0.13 0.37 0.00 -0.12 0.00 0.00 57.88 58.26 1ufz h LEU 38 Cb 0.70 0.38 -0.10 0.00 -0.73 0.00 0.00 40.66 40.92 1ufz h LEU 38 CO 0.00 -0.11 0.73 -0.67 -0.62 0.00 0.00 178.44 177.77 1ufz n ASP 39 N -3.91 0.14 0.01 1.25 2.03 -0.09 0.26 116.55 116.23 1ufz n ASP 39 Ca 0.00 1.00 -0.00 0.00 0.52 0.00 0.00 54.79 56.31 1ufz n ASP 39 Cb 0.12 -0.49 -0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1ufz n ASP 39 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ufz h HIS 40 N 0.00 -0.02 0.00 -0.67 2.76 0.19 -0.41 115.15 116.99 1ufz h HIS 40 Ca 0.67 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.84 1ufz h HIS 40 Cb 2.25 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 31.22 1ufz h HIS 40 CO -0.00 -0.01 -0.03 0.52 -1.30 0.00 0.00 177.93 177.11 1ufz h MET 41 N -0.02 0.00 0.00 5.26 2.86 0.37 -0.57 114.93 122.83 1ufz h MET 41 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ufz h MET 41 Cb 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1ufz h MET 41 CO 0.00 0.03 -0.02 0.00 1.06 0.00 0.00 176.91 177.98 1ufz h ARG 42 N 0.00 0.00 0.00 1.72 3.08 0.37 1.78 114.38 121.33 1ufz h ARG 42 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1ufz h ARG 42 Cb 0.27 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 1ufz h ARG 42 CO 0.00 0.02 -1.82 0.39 -1.07 0.00 0.00 179.97 177.49 1ufz n GLU 43 N -3.11 0.64 -0.12 0.04 -0.58 -0.17 -2.32 120.64 115.03 1ufz n GLU 43 Ca 0.02 0.21 -0.24 0.00 -0.42 0.00 0.00 57.16 56.74 1ufz n GLU 43 Cb 0.44 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.48 1ufz n GLU 43 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ufz n VAL 44 N -2.95 1.53 -0.10 2.62 0.31 -0.84 -4.35 118.33 114.55 1ufz n VAL 44 Ca -0.19 -0.15 -0.16 0.00 -0.01 0.00 0.00 64.34 63.82 1ufz n VAL 44 Cb 1.04 -2.01 -0.07 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 -4.37 1.87 -0.60 7.52 4.32 0.52 -4.18 117.00 122.08 1ufz n LEU 45 Ca -0.39 0.47 0.45 0.00 -0.02 0.00 0.00 56.01 56.52 1ufz n LEU 45 Cb 0.74 -0.89 0.70 0.00 -1.62 0.00 0.00 43.42 42.35 1ufz n LEU 45 CO 0.12 0.03 1.27 0.61 -1.22 0.00 0.00 177.39 178.19 1ufz n GLY 46 N 1.46 -0.85 0.31 -0.72 0.00 0.33 0.10 105.19 105.84 1ufz n GLY 46 Ca -0.26 0.60 0.11 0.00 0.00 0.00 0.00 46.02 46.47 1ufz n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ufz h ASP 47 N 0.00 -0.27 0.00 1.61 3.32 -1.62 -3.27 116.42 116.19 1ufz h ASP 47 Ca 0.81 0.22 -0.14 0.00 0.02 0.00 0.00 57.03 57.94 1ufz h ASP 47 Cb 3.20 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 43.10 1ufz h ASP 47 CO -0.04 -0.23 -1.29 0.00 -1.72 0.00 0.00 179.24 175.96 1ufz n ALA 48 N -2.92 2.13 -1.23 3.45 0.00 0.29 -5.03 120.51 117.19 1ufz n ALA 48 Ca 0.20 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 1ufz n ALA 48 Cb 0.65 0.27 0.10 0.00 0.00 0.00 0.00 19.45 20.47 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 3.24 0.00 0.00 -7.23 -0.07 -5.05 120.40 109.00 1ufz s VAL 49 Ca -0.16 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1ufz s VAL 49 Cb 0.05 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1ufz s VAL 49 CO 0.21 -0.53 0.00 -0.81 -0.31 0.00 0.00 175.10 173.67 1ufz n PRO 50 N -3.57 0.37 -0.08 4.82 -0.04 -1.26 -3.85 135.00 131.38 1ufz n PRO 50 Ca 0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1ufz n PRO 50 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.26 1.87 -0.22 3.54 5.75 -1.26 -4.15 116.55 120.81 1ufz n ASP 51 Ca 0.00 0.50 -0.06 0.00 -0.01 0.00 0.00 54.79 55.22 1ufz n ASP 51 Cb 0.00 -0.83 -0.05 0.00 -1.03 0.00 0.00 41.12 39.21 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 -4.54 -0.56 -0.29 -1.12 -0.08 -1.26 0.19 116.55 108.90 1ufz n ASP 52 Ca -0.13 1.39 0.15 0.00 -1.51 0.00 0.00 54.79 54.70 1ufz n ASP 52 Cb 0.40 -0.35 0.29 0.00 2.34 0.00 0.00 41.12 43.81 1ufz n ASP 52 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1ufz n ILE 53 N -4.19 -0.35 0.04 5.18 5.41 -1.26 0.82 119.36 125.00 1ufz n ILE 53 Ca 0.01 1.82 -0.10 0.00 1.00 0.00 0.00 62.75 65.48 1ufz n ILE 53 Cb 0.14 -2.71 -0.08 0.00 -0.71 0.00 0.00 39.64 36.28 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 -0.15 -0.95 1.39 3.38 0.11 -2.94 115.31 116.14 1ufz h LEU 54 Ca 0.55 -0.39 0.30 0.00 0.09 0.00 0.00 57.88 58.43 1ufz h LEU 54 Cb 1.20 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 1ufz h LEU 54 CO -0.76 0.43 0.32 0.74 0.09 0.00 0.00 178.44 179.26 1ufz h THR 55 N -0.88 0.18 0.42 0.22 2.02 0.81 0.30 112.91 115.98 1ufz h THR 55 Ca -0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1ufz h THR 55 Cb 0.53 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1ufz h THR 55 CO 0.03 0.03 -0.20 -0.33 0.37 0.00 0.00 175.52 175.42 1ufz h GLU 56 N 0.15 -0.54 -0.91 6.66 5.08 0.38 -2.21 114.58 123.19 1ufz h GLU 56 Ca 0.66 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 59.31 1ufz h GLU 56 Cb 1.49 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.71 1ufz h GLU 56 CO -0.73 -0.32 0.18 0.00 -1.00 0.00 0.00 179.01 177.14 1ufz h ALA 57 N -0.05 1.26 0.34 3.43 0.00 -0.26 1.31 119.26 125.29 1ufz h ALA 57 Ca -0.06 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ufz h ALA 57 Cb 0.46 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1ufz h ALA 57 CO 0.09 -0.53 -0.28 0.82 0.00 0.00 0.00 179.25 179.36 1ufz h ILE 58 N 0.13 0.41 0.00 0.00 2.04 -0.92 0.62 117.51 119.79 1ufz h ILE 58 Ca 0.57 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.43 1ufz h ILE 58 Cb 1.19 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1ufz h ILE 58 CO -0.74 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.59 1ufz n LEU 59 N -5.40 0.57 0.20 1.44 4.77 0.13 0.02 117.00 118.72 1ufz n LEU 59 Ca -0.10 0.69 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 1ufz n LEU 59 Cb 0.31 -0.66 0.51 0.00 -2.33 0.00 0.00 43.42 41.24 1ufz n LEU 59 CO 0.30 -0.69 0.91 0.50 -1.33 0.00 0.00 177.39 177.08 1ufz h LYS 60 N 0.00 0.00 -0.10 3.23 1.63 0.38 -3.15 116.57 118.56 1ufz h LYS 60 Ca 0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1ufz h LYS 60 Cb 0.21 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.45 1ufz h LYS 60 CO 0.00 0.00 -1.05 0.72 -3.45 0.00 0.00 179.45 175.67 1ufz n HIS 61 N -2.71 0.30 -3.99 1.91 8.25 0.01 -5.01 115.22 113.97 1ufz n HIS 61 Ca 0.02 -0.90 -0.40 0.00 -0.26 0.00 0.00 57.72 56.19 1ufz n HIS 61 Cb 0.33 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.30 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 0.22 -0.67 -2.66 -0.41 4.76 -0.38 -3.53 118.16 115.49 1ufz n LYS 62 Ca 0.06 0.30 -0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1ufz n LYS 62 Cb 1.06 -2.34 -0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 -4.21 -3.90 -2.78 2.13 3.72 0.10 -4.98 117.46 107.54 1ufz n PHE 63 Ca -0.19 1.78 -0.10 0.00 -0.05 0.00 0.00 57.45 58.89 1ufz n PHE 63 Cb 0.61 -3.92 0.07 0.00 -0.94 0.00 0.00 39.48 35.30 1ufz n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ufz n ASP 64 N 0.76 -2.11 -0.38 4.37 -0.08 -1.23 -5.01 116.55 112.87 1ufz n ASP 64 Ca -0.03 -3.56 -0.03 0.00 -1.51 0.00 0.00 54.79 49.65 1ufz n ASP 64 Cb 0.05 1.65 0.01 0.00 2.34 0.00 0.00 41.12 45.17 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 2.80 0.01 -0.99 5.18 2.07 -1.92 1.64 116.25 125.04 1ufz h VAL 65 Ca -0.09 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.61 1ufz h VAL 65 Cb 1.07 0.01 -0.18 0.00 -1.52 0.00 0.00 31.29 30.68 1ufz h VAL 65 CO 0.20 0.00 -0.32 1.56 0.02 0.00 0.00 177.57 179.04 1ufz h GLN 66 N -0.01 -0.00 0.14 1.57 1.08 -1.99 1.82 115.11 117.73 1ufz h GLN 66 Ca 0.30 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1ufz h GLN 66 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1ufz h GLN 66 CO -0.96 -0.00 -0.07 -0.22 -0.95 0.00 0.00 178.83 176.63 1ufz h LYS 67 N -0.00 -0.19 -1.25 1.46 1.63 -0.21 -2.72 116.57 115.29 1ufz h LYS 67 Ca 0.41 0.01 0.44 0.00 -0.85 0.00 0.00 60.65 60.67 1ufz h LYS 67 Cb 0.66 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.19 1ufz h LYS 67 CO -1.01 0.06 0.78 0.00 -3.45 0.00 0.00 179.45 175.83 1ufz h ALA 68 N -0.79 2.60 0.24 5.00 0.00 0.30 1.35 119.26 127.96 1ufz h ALA 68 Ca -0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ufz h ALA 68 Cb 0.33 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ufz h ALA 68 CO 0.03 -1.29 -0.11 -0.07 0.00 0.00 0.00 179.25 177.81 1ufz h LEU 69 N 0.05 -0.27 -1.70 0.00 3.38 0.27 1.54 115.31 118.58 1ufz h LEU 69 Ca 0.85 0.01 0.25 0.00 0.09 0.00 0.00 57.88 59.08 1ufz h LEU 69 Cb 2.55 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 43.31 1ufz h LEU 69 CO -0.53 -0.12 0.66 -1.28 0.09 0.00 0.00 178.44 177.25 1ufz h SER 70 N -0.45 0.23 0.10 -0.43 0.87 -0.39 1.96 113.55 115.44 1ufz h SER 70 Ca -0.03 0.03 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 1ufz h SER 70 Cb 0.24 -0.01 0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1ufz h SER 70 CO 0.05 0.07 -1.11 0.58 -0.53 0.00 0.00 176.83 175.89 1ufz h VAL 71 N 0.22 1.32 -0.08 2.23 2.07 0.17 -3.11 116.25 119.07 1ufz h VAL 71 Ca 0.49 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 1ufz h VAL 71 Cb 1.54 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 34.04 1ufz h VAL 71 CO -0.12 0.72 -0.04 0.58 0.02 0.00 0.00 177.57 178.73 1ufz h VAL 72 N 0.16 1.32 -0.70 2.57 2.07 0.65 -0.16 116.25 122.15 1ufz h VAL 72 Ca -0.17 -1.04 0.12 0.00 0.82 0.00 0.00 66.70 66.43 1ufz h VAL 72 Cb 1.80 1.84 -0.13 0.00 -1.52 0.00 0.00 31.29 33.29 1ufz h VAL 72 CO 0.21 0.29 -0.37 -0.07 0.02 0.00 0.00 177.57 177.66 1ufz h LEU 73 N -0.20 -1.29 -0.01 2.57 4.07 0.28 0.94 115.31 121.66 1ufz h LEU 73 Ca 0.02 0.25 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 1ufz h LEU 73 Cb 0.48 0.64 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 1ufz h LEU 73 CO 0.01 -0.30 0.00 -0.33 -1.08 0.00 0.00 178.44 176.74 1ufz h GLU 74 N -0.13 0.01 0.01 1.13 5.08 -1.50 -1.40 114.58 117.79 1ufz h GLU 74 Ca 0.25 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1ufz h GLU 74 Cb 0.56 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1ufz h GLU 74 CO -0.77 0.22 -0.30 0.37 -1.00 0.00 0.00 179.01 177.53 1ufz h GLN 75 N -0.19 -0.37 -0.94 2.33 4.15 0.96 -0.72 115.11 120.33 1ufz h GLN 75 Ca 0.00 0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.68 1ufz h GLN 75 Cb 0.21 0.08 -0.12 0.00 0.21 0.00 0.00 27.48 27.86 1ufz h GLN 75 CO -0.00 -0.24 0.47 0.22 -1.93 0.00 0.00 178.83 177.35 1ufz h ASP 76 N -0.38 0.47 -1.09 -0.69 3.58 0.76 0.60 116.42 119.67 1ufz h ASP 76 Ca 0.00 0.15 0.32 0.00 0.42 0.00 0.00 57.03 57.92 1ufz h ASP 76 Cb 0.40 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 1ufz h ASP 76 CO -0.19 0.04 1.06 1.23 -2.88 0.00 0.00 179.24 178.50 1ufz h GLY 77 N 0.47 0.00 0.94 -0.78 0.00 0.04 1.14 103.07 104.87 1ufz h GLY 77 Ca 0.59 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.94 1ufz h GLY 77 CO -0.51 0.00 0.51 1.76 0.00 0.00 0.00 176.54 178.30 1ufz h SER 78 N 0.00 0.86 0.00 0.19 0.02 0.33 -3.16 113.55 111.79 1ufz h SER 78 Ca 0.52 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1ufz h SER 78 Cb 2.63 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.97 1ufz h SER 78 CO -0.01 0.61 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 1ufz n GLY 79 N -1.31 -2.93 3.69 -3.77 0.00 0.39 -4.37 105.19 96.88 1ufz n GLY 79 Ca 0.08 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 1ufz n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufz s PRO 80 N -2.84 4.35 0.22 1.61 0.04 -1.19 -4.63 135.00 132.56 1ufz s PRO 80 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ufz s PRO 80 Cb 0.00 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1ufz s PRO 80 CO 0.00 -0.46 0.00 0.43 0.04 0.00 0.00 177.00 177.01 1ufz n SER 81 N 5.21 -7.82 -4.90 6.66 7.64 -1.26 -4.89 113.62 114.27 1ufz n SER 81 Ca 0.11 1.11 -0.20 0.00 1.01 0.00 0.00 58.87 60.90 1ufz n SER 81 Cb 0.46 -4.17 -0.03 0.00 -1.01 0.00 0.00 64.21 59.46 1ufz n SER 81 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ufz s SER 82 N -0.92 5.34 0.00 6.43 0.15 -1.26 -4.67 113.70 118.77 1ufz s SER 82 Ca 0.00 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1ufz s SER 82 Cb 0.00 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 1ufz s SER 82 CO 0.00 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.55