#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 -0.44 0.23 1.61 1.04 -1.26 -5.18 113.70 109.70 1ufz s SER 2 Ca 0.00 0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.60 1ufz s SER 2 Cb 0.00 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 1ufz s SER 2 CO 0.00 -0.66 -0.07 -0.44 0.98 0.00 0.00 173.24 173.05 1ufz s SER 3 N -2.27 2.30 0.00 7.02 0.01 -1.26 -5.16 113.70 114.34 1ufz s SER 3 Ca 0.02 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1ufz s SER 3 Cb -0.01 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1ufz s SER 3 CO -0.07 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1ufz n GLY 4 N -0.43 2.06 3.22 3.44 0.00 -1.26 -5.15 105.19 107.07 1ufz n GLY 4 Ca -0.07 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1ufz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufz s SER 5 N -0.90 -0.27 0.51 1.61 1.04 -1.26 -5.12 113.70 109.31 1ufz s SER 5 Ca 0.00 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1ufz s SER 5 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ufz s SER 5 CO 0.00 -0.24 0.00 -1.20 0.98 0.00 0.00 173.24 172.78 1ufz n SER 6 N 2.27 -6.95 0.00 7.02 7.64 -1.26 -5.02 113.62 117.32 1ufz n SER 6 Ca -0.16 1.48 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1ufz n SER 6 Cb 0.57 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 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 -2.90 -1.83 0.39 0.23 0.00 -1.26 -5.05 105.19 94.77 1ufz n GLY 7 Ca -0.02 0.92 -0.17 0.00 0.00 0.00 0.00 46.02 46.74 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 0.00 -0.93 -0.97 1.61 5.08 -2.02 -3.08 114.58 114.27 1ufz h GLU 8 Ca 0.00 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 1ufz h GLU 8 Cb 0.00 0.21 -0.18 0.00 0.50 0.00 0.00 28.75 29.29 1ufz h GLU 8 CO 0.00 -0.59 -0.28 0.66 -1.00 0.00 0.00 179.01 177.80 1ufz n TYR 9 N -5.46 0.26 -0.17 4.33 4.02 -1.26 -0.90 117.16 117.98 1ufz n TYR 9 Ca -0.13 1.18 -0.06 0.00 -0.01 0.00 0.00 57.90 58.88 1ufz n TYR 9 Cb 0.40 -1.01 -0.05 0.00 -0.02 0.00 0.00 39.34 38.66 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 -1.68 -0.96 2.72 0.00 -1.96 0.47 103.07 101.67 1ufz h GLY 10 Ca 0.43 0.92 0.16 0.00 0.00 0.00 0.00 47.33 48.84 1ufz h GLY 10 CO -0.99 -0.46 -0.34 -1.72 0.00 0.00 0.00 176.54 173.03 1ufz n TYR 11 N -4.14 0.10 0.11 5.60 4.01 -0.08 0.27 117.16 123.03 1ufz n TYR 11 Ca 0.00 1.18 -0.16 0.00 -0.16 0.00 0.00 57.90 58.76 1ufz n TYR 11 Cb 0.15 -0.90 -0.09 0.00 -0.31 0.00 0.00 39.34 38.19 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 -0.69 -0.12 -0.72 5.08 -0.83 0.16 114.58 117.46 1ufz h GLU 12 Ca 0.36 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.81 1ufz h GLU 12 Cb 0.60 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 1ufz h GLU 12 CO -0.96 -0.46 -0.31 -0.44 -1.00 0.00 0.00 179.01 175.84 1ufz h ASP 13 N -0.71 -0.96 -0.72 1.42 3.32 0.62 -1.00 116.42 118.39 1ufz h ASP 13 Ca 0.01 0.14 0.14 0.00 0.02 0.00 0.00 57.03 57.34 1ufz h ASP 13 Cb 0.73 0.41 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 1ufz h ASP 13 CO -0.28 -0.35 -0.22 0.25 -1.72 0.00 0.00 179.24 176.92 1ufz h LEU 14 N -0.39 -0.81 -9.12 1.55 6.46 0.35 -3.41 115.31 109.94 1ufz h LEU 14 Ca 0.10 0.23 -0.56 0.00 -0.12 0.00 0.00 57.88 57.53 1ufz h LEU 14 Cb 0.53 0.49 0.23 0.00 -0.73 0.00 0.00 40.66 41.18 1ufz h LEU 14 CO -0.34 -0.26 -1.55 -1.14 -0.62 0.00 0.00 178.44 174.53 1ufz n ARG 15 N -5.48 -0.02 -1.54 1.25 0.63 0.50 -4.63 116.66 107.37 1ufz n ARG 15 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1ufz n ARG 15 Cb 0.37 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.15 1ufz n ARG 15 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ufz n GLU 16 N 1.73 -4.41 -4.52 -0.14 -0.58 -1.26 -5.00 120.64 106.46 1ufz n GLU 16 Ca 0.01 3.26 -0.26 0.00 -0.42 0.00 0.00 57.16 59.75 1ufz n GLU 16 Cb 0.54 -3.65 -0.13 0.00 -0.57 0.00 0.00 31.44 27.63 1ufz n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ufz s SER 17 N -3.00 2.68 -0.16 1.62 1.04 -1.26 -5.06 113.70 109.55 1ufz s SER 17 Ca 0.00 -0.61 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 1ufz s SER 17 Cb 0.00 -0.19 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1ufz s SER 17 CO 0.00 0.14 -0.12 -0.24 0.98 0.00 0.00 173.24 174.00 1ufz n SER 18 N 1.47 1.83 -3.63 7.02 2.88 -1.26 -5.07 113.62 116.86 1ufz n SER 18 Ca -0.18 0.57 -0.07 0.00 -1.33 0.00 0.00 58.87 57.86 1ufz n SER 18 Cb 0.53 -0.88 -0.02 0.00 -0.75 0.00 0.00 64.21 63.09 1ufz n SER 18 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ufz s ASN 19 N -6.00 -0.33 0.21 -3.46 -0.87 -1.26 -5.02 114.94 98.20 1ufz s ASN 19 Ca -0.19 -0.24 -0.15 0.00 -1.57 0.00 0.00 52.86 50.71 1ufz s ASN 19 Cb 0.03 0.52 0.21 0.00 -0.02 0.00 0.00 41.25 42.00 1ufz s ASN 19 CO 0.31 -0.91 1.61 0.77 -2.57 0.00 0.00 177.10 176.31 1ufz h SER 20 N 2.00 -0.77 -0.16 -1.22 4.64 -1.98 0.39 113.55 116.45 1ufz h SER 20 Ca -0.25 0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ufz h SER 20 Cb 1.25 0.45 -0.03 0.00 -0.31 0.00 0.00 62.40 63.77 1ufz h SER 20 CO 0.29 -0.25 -0.20 -0.07 -0.87 0.00 0.00 176.83 175.73 1ufz h LEU 21 N -0.06 -0.68 -0.53 5.97 3.38 -1.98 0.77 115.31 122.19 1ufz h LEU 21 Ca 0.29 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.42 1ufz h LEU 21 Cb 0.50 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 1ufz h LEU 21 CO -0.67 -0.14 -0.48 -0.07 0.09 0.00 0.00 178.44 177.16 1ufz h LEU 22 N -0.14 -1.64 -0.97 1.67 -0.00 -1.71 1.19 115.31 113.71 1ufz h LEU 22 Ca 0.03 0.25 0.26 0.00 -0.00 0.00 0.00 57.88 58.41 1ufz h LEU 22 Cb 0.21 0.71 -0.13 0.00 -0.00 0.00 0.00 40.66 41.46 1ufz h LEU 22 CO -0.22 -0.36 0.52 -1.13 -0.00 0.00 0.00 178.44 177.26 1ufz h ASN 23 N -0.28 0.52 -0.05 -0.43 -0.73 0.09 0.25 115.58 114.94 1ufz h ASN 23 Ca 0.14 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.45 1ufz h ASN 23 Cb 0.57 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 1ufz h ASN 23 CO -0.66 0.00 -0.05 -0.74 -0.37 0.00 0.00 177.43 175.62 1ufz h HIS 24 N 0.45 0.15 -1.73 0.67 2.76 0.69 -2.92 115.15 115.23 1ufz h HIS 24 Ca 0.64 -0.04 0.51 0.00 -2.20 0.00 0.00 60.37 59.28 1ufz h HIS 24 Cb 1.30 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 30.15 1ufz h HIS 24 CO -0.05 0.57 1.23 1.96 -1.30 0.00 0.00 177.93 180.34 1ufz h GLN 25 N -0.31 0.01 -5.68 5.26 4.20 0.45 -3.45 115.11 115.59 1ufz h GLN 25 Ca 0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1ufz h GLN 25 Cb 0.54 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1ufz h GLN 25 CO 0.01 0.01 -0.99 1.28 -0.67 0.00 0.00 178.83 178.47 1ufz n LEU 26 N -4.11 -5.98 -4.25 1.46 4.77 -0.85 -4.87 117.00 103.17 1ufz n LEU 26 Ca 0.40 1.06 -0.34 0.00 -0.03 0.00 0.00 56.01 57.10 1ufz n LEU 26 Cb 1.79 -2.55 0.10 0.00 -2.33 0.00 0.00 43.42 40.43 1ufz n LEU 26 CO 0.40 -2.54 -0.65 -1.20 -1.33 0.00 0.00 177.39 172.07 1ufz n SER 27 N 1.09 -3.20 0.09 -1.43 7.64 -1.26 -4.19 113.62 112.36 1ufz n SER 27 Ca -0.03 0.18 0.20 0.00 1.01 0.00 0.00 58.87 60.24 1ufz n SER 27 Cb 0.24 -0.99 0.75 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.47 0.00 0.05 1.43 4.11 -1.99 0.12 114.58 116.83 1ufz h GLU 28 Ca -0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ufz h GLU 28 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ufz h GLU 28 CO 0.31 0.00 -0.02 0.82 0.07 0.00 0.00 179.01 180.19 1ufz h ILE 29 N 0.00 0.00 -0.64 -1.06 5.03 -2.00 -2.72 117.51 116.11 1ufz h ILE 29 Ca 0.19 -0.08 0.12 0.00 -0.12 0.00 0.00 64.86 64.98 1ufz h ILE 29 Cb 1.05 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.72 1ufz h ILE 29 CO -0.00 0.00 -0.26 0.44 -0.68 0.00 0.00 178.15 177.65 1ufz h ASP 30 N -0.14 -0.93 -0.67 1.72 3.32 -1.74 0.17 116.42 118.15 1ufz h ASP 30 Ca -0.01 0.22 0.09 0.00 0.02 0.00 0.00 57.03 57.36 1ufz h ASP 30 Cb 0.05 0.51 -0.11 0.00 0.22 0.00 0.00 39.33 40.00 1ufz h ASP 30 CO 0.01 -0.27 -0.46 1.56 -1.72 0.00 0.00 179.24 178.36 1ufz h GLN 31 N -0.09 -0.18 -0.87 3.56 4.20 -0.89 0.60 115.11 121.44 1ufz h GLN 31 Ca 0.28 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.09 1ufz h GLN 31 Cb 0.53 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.24 1ufz h GLN 31 CO -0.70 -0.12 -0.57 0.00 -0.67 0.00 0.00 178.83 176.77 1ufz h ALA 32 N 0.62 -0.55 -0.13 3.87 0.00 -0.63 0.92 119.26 123.37 1ufz h ALA 32 Ca 0.18 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1ufz h ALA 32 Cb 0.55 1.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1ufz h ALA 32 CO -0.75 -0.96 -0.02 0.00 0.00 0.00 0.00 179.25 177.52 1ufz h ARG 33 N -0.09 0.02 -0.03 0.00 3.08 -0.74 -0.11 114.38 116.52 1ufz h ARG 33 Ca 0.15 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1ufz h ARG 33 Cb 0.46 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1ufz h ARG 33 CO -0.87 0.01 -0.35 1.25 -1.07 0.00 0.00 179.97 178.94 1ufz h LEU 34 N 0.02 -1.10 -0.58 3.04 5.85 0.32 -0.49 115.31 122.37 1ufz h LEU 34 Ca 0.06 0.13 0.12 0.00 0.84 0.00 0.00 57.88 59.02 1ufz h LEU 34 Cb 0.09 0.42 -0.11 0.00 0.37 0.00 0.00 40.66 41.43 1ufz h LEU 34 CO -0.12 -0.33 -0.18 1.88 -0.34 0.00 0.00 178.44 179.34 1ufz h TYR 35 N -0.42 -0.43 -0.34 1.25 0.05 0.86 1.67 116.97 119.61 1ufz h TYR 35 Ca 0.01 0.06 0.10 0.00 0.05 0.00 0.00 58.73 58.95 1ufz h TYR 35 Cb 0.46 0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 1ufz h TYR 35 CO -0.49 -0.28 0.44 1.03 -1.05 0.00 0.00 178.16 177.81 1ufz h SER 36 N -0.04 0.00 0.00 3.88 0.87 -0.18 0.40 113.55 118.48 1ufz h SER 36 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1ufz h SER 36 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1ufz h SER 36 CO -0.62 0.00 -0.66 0.00 -0.53 0.00 0.00 176.83 175.02 1ufz h LEU 38 N -0.91 -1.78 -1.39 0.00 6.46 0.24 1.54 115.31 119.48 1ufz h LEU 38 Ca 0.00 0.26 0.44 0.00 -0.12 0.00 0.00 57.88 58.46 1ufz h LEU 38 Cb 0.66 0.77 -0.10 0.00 -0.73 0.00 0.00 40.66 41.26 1ufz h LEU 38 CO 0.00 -0.25 0.95 -0.67 -0.62 0.00 0.00 178.44 177.85 1ufz n ASP 39 N -4.96 0.10 0.00 1.25 -0.08 0.14 0.11 116.55 113.11 1ufz n ASP 39 Ca -0.00 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 1ufz n ASP 39 Cb 0.25 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.20 1ufz n ASP 39 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1ufz n HIS 40 N -4.07 0.00 0.32 -0.67 -0.00 0.52 -0.92 115.22 110.40 1ufz n HIS 40 Ca 0.36 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.65 1ufz n HIS 40 Cb 1.50 -0.22 0.59 0.00 -0.12 0.00 0.00 29.99 31.74 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 0.13 1.57 4.05 -0.51 0.59 114.93 120.76 1ufz h MET 41 Ca 0.00 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.20 1ufz h MET 41 Cb 0.00 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1ufz h MET 41 CO 0.00 0.00 -0.94 0.00 0.23 0.00 0.00 176.91 176.20 1ufz h ARG 42 N 0.00 0.40 0.00 0.39 3.08 0.82 0.14 114.38 119.21 1ufz h ARG 42 Ca 0.02 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 59.45 1ufz h ARG 42 Cb 1.08 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1ufz h ARG 42 CO -0.00 1.27 -0.03 0.93 -1.07 0.00 0.00 179.97 181.07 1ufz h GLU 43 N -0.15 0.00 0.00 0.04 5.08 0.21 0.58 114.58 120.34 1ufz h GLU 43 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ufz h GLU 43 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1ufz h GLU 43 CO 0.18 0.03 0.00 1.55 -1.00 0.00 0.00 179.01 179.77 1ufz n VAL 44 N -3.88 0.00 -0.04 3.13 3.14 -0.94 -4.44 118.33 115.30 1ufz n VAL 44 Ca -0.03 0.25 -0.13 0.00 -2.96 0.00 0.00 64.34 61.47 1ufz n VAL 44 Cb 0.11 -1.10 -0.11 0.00 -1.06 0.00 0.00 33.84 31.68 1ufz n VAL 44 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1ufz h LEU 45 N 0.00 -0.00 -1.53 6.55 4.07 -0.86 -3.21 115.31 120.32 1ufz h LEU 45 Ca 0.00 -0.75 0.46 0.00 0.08 0.00 0.00 57.88 57.67 1ufz h LEU 45 Cb 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.66 1ufz h LEU 45 CO 0.00 0.76 1.08 0.61 -1.08 0.00 0.00 178.44 179.80 1ufz n GLY 46 N 0.98 -0.80 0.29 0.83 0.00 0.16 0.18 105.19 106.83 1ufz n GLY 46 Ca -0.09 0.60 0.09 0.00 0.00 0.00 0.00 46.02 46.61 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 0.06 0.00 1.61 1.82 -0.40 -3.27 116.42 116.24 1ufz h ASP 47 Ca 0.78 0.16 -0.21 0.00 -0.39 0.00 0.00 57.03 57.37 1ufz h ASP 47 Cb 2.97 0.20 -0.03 0.00 0.68 0.00 0.00 39.33 43.15 1ufz h ASP 47 CO -0.12 -0.06 -1.72 0.00 -1.61 0.00 0.00 179.24 175.74 1ufz n ALA 48 N -2.65 2.10 -1.54 -0.78 0.00 0.49 -5.03 120.51 113.10 1ufz n ALA 48 Ca 0.17 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 1ufz n ALA 48 Cb 0.54 0.32 0.05 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.24 3.83 0.00 0.00 -7.23 0.17 -5.06 120.40 109.88 1ufz s VAL 49 Ca -0.18 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1ufz s VAL 49 Cb 0.06 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.70 1ufz s VAL 49 CO 0.23 -0.71 0.00 -0.81 -0.31 0.00 0.00 175.10 173.51 1ufz n PRO 50 N -2.90 -0.16 -0.10 4.82 -0.04 -1.26 -3.79 135.00 131.58 1ufz n PRO 50 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 1ufz n PRO 50 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -2.32 1.87 -0.25 3.54 5.75 -1.26 -4.12 116.55 119.76 1ufz n ASP 51 Ca 0.00 0.47 -0.07 0.00 -0.01 0.00 0.00 54.79 55.17 1ufz n ASP 51 Cb 0.00 -0.86 -0.06 0.00 -1.03 0.00 0.00 41.12 39.16 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 -1.00 -1.37 -0.89 -1.12 3.32 -1.97 1.32 116.42 114.71 1ufz h ASP 52 Ca -0.22 0.21 0.17 0.00 0.02 0.00 0.00 57.03 57.21 1ufz h ASP 52 Cb 1.01 0.60 -0.16 0.00 0.22 0.00 0.00 39.33 41.01 1ufz h ASP 52 CO -0.13 -0.16 -0.26 -0.38 -1.72 0.00 0.00 179.24 176.59 1ufz n ILE 53 N -4.44 -0.40 0.15 0.35 5.41 -1.26 0.84 119.36 120.01 1ufz n ILE 53 Ca 0.01 2.04 -0.14 0.00 1.00 0.00 0.00 62.75 65.67 1ufz n ILE 53 Cb 0.17 -2.79 -0.08 0.00 -0.71 0.00 0.00 39.64 36.23 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 -0.33 -0.75 1.39 3.38 -0.04 -2.81 115.31 116.15 1ufz h LEU 54 Ca 0.39 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.34 1ufz h LEU 54 Cb 0.61 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.31 1ufz h LEU 54 CO -0.90 -0.01 -0.26 0.74 0.09 0.00 0.00 178.44 178.10 1ufz h THR 55 N -0.67 0.18 -0.55 0.22 2.02 0.70 0.33 112.91 115.14 1ufz h THR 55 Ca -0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.25 1ufz h THR 55 Cb 0.47 0.18 -0.09 0.00 -1.74 0.00 0.00 68.15 66.97 1ufz h THR 55 CO 0.07 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.63 1ufz h GLU 56 N -0.05 0.12 -0.66 6.66 5.08 0.50 0.65 114.58 126.87 1ufz h GLU 56 Ca 0.33 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.83 1ufz h GLU 56 Cb 0.57 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 1ufz h GLU 56 CO -0.79 0.08 0.05 0.00 -1.00 0.00 0.00 179.01 177.35 1ufz h ALA 57 N 1.50 0.72 0.36 3.43 0.00 -0.09 1.57 119.26 126.74 1ufz h ALA 57 Ca 0.28 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ufz h ALA 57 Cb 0.44 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1ufz h ALA 57 CO -0.47 -0.38 -0.38 0.82 0.00 0.00 0.00 179.25 178.85 1ufz h ILE 58 N 0.16 0.23 0.00 0.00 2.04 -0.29 0.14 117.51 119.79 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 0.59 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1ufz h ILE 58 CO -0.54 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.79 1ufz n LEU 59 N -5.48 0.56 0.20 1.44 7.99 -0.30 -0.14 117.00 121.27 1ufz n LEU 59 Ca -0.10 0.69 0.14 0.00 -0.01 0.00 0.00 56.01 56.73 1ufz n LEU 59 Cb 0.38 -0.68 0.45 0.00 -0.11 0.00 0.00 43.42 43.46 1ufz n LEU 59 CO 0.27 -0.71 0.90 0.50 -1.51 0.00 0.00 177.39 176.84 1ufz h LYS 60 N 0.00 0.00 -0.06 3.23 1.63 0.50 -3.21 116.57 118.66 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 0.19 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 31.44 1ufz h LYS 60 CO 0.00 0.00 -1.01 0.72 -3.45 0.00 0.00 179.45 175.71 1ufz n HIS 61 N -2.75 0.16 -3.85 1.91 8.25 0.20 -5.02 115.22 114.11 1ufz n HIS 61 Ca 0.03 -0.73 -0.30 0.00 -0.26 0.00 0.00 57.72 56.45 1ufz n HIS 61 Cb 0.37 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 0.31 -1.17 -2.75 -0.41 0.00 0.17 -3.63 118.16 110.67 1ufz n LYS 62 Ca 0.04 0.54 -0.02 0.00 0.00 0.00 0.00 58.31 58.87 1ufz n LYS 62 Cb 1.08 -2.20 -0.02 0.00 0.00 0.00 0.00 35.03 33.90 1ufz n LYS 62 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ufz n PHE 63 N -3.22 -3.51 -2.73 5.64 3.01 0.80 -4.98 117.46 112.48 1ufz n PHE 63 Ca -0.27 1.78 -0.08 0.00 1.01 0.00 0.00 57.45 59.89 1ufz n PHE 63 Cb 0.64 -3.47 0.08 0.00 -0.01 0.00 0.00 39.48 36.72 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 1.26 -2.36 -0.33 4.37 -0.08 -1.24 -5.02 116.55 113.15 1ufz n ASP 64 Ca -0.15 -3.19 -0.06 0.00 -1.51 0.00 0.00 54.79 49.88 1ufz n ASP 64 Cb 0.29 1.71 -0.01 0.00 2.34 0.00 0.00 41.12 45.44 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 2.59 0.03 -1.39 5.18 2.07 -1.93 1.74 116.25 124.54 1ufz h VAL 65 Ca -0.15 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.84 1ufz h VAL 65 Cb 1.09 0.03 -0.13 0.00 -1.52 0.00 0.00 31.29 30.77 1ufz h VAL 65 CO 0.16 0.00 0.91 0.00 0.02 0.00 0.00 177.57 178.66 1ufz n GLN 66 N -5.40 -0.03 -0.11 1.57 1.13 -1.26 0.22 117.38 113.50 1ufz n GLN 66 Ca 0.06 1.19 -0.23 0.00 -1.94 0.00 0.00 57.00 56.08 1ufz n GLN 66 Cb 0.35 -2.39 -0.10 0.00 0.11 0.00 0.00 30.24 28.21 1ufz n GLN 66 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ufz n LYS 67 N -4.56 0.56 -0.34 -1.09 3.00 0.48 -3.30 118.16 112.91 1ufz n LYS 67 Ca 0.39 0.44 0.23 0.00 -0.00 0.00 0.00 58.31 59.38 1ufz n LYS 67 Cb 1.56 -1.63 0.51 0.00 0.00 0.00 0.00 35.03 35.46 1ufz n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ufz h ALA 68 N -0.74 2.22 0.36 3.14 0.00 0.47 0.47 119.26 125.18 1ufz h ALA 68 Ca -0.44 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1ufz h ALA 68 Cb 1.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ufz h ALA 68 CO -0.27 -0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 178.08 1ufz h LEU 69 N 0.38 -0.41 -1.92 0.00 3.38 0.25 1.47 115.31 118.47 1ufz h LEU 69 Ca 0.63 -0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.64 1ufz h LEU 69 Cb 1.58 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1ufz h LEU 69 CO -0.34 0.03 0.56 -1.28 0.09 0.00 0.00 178.44 177.51 1ufz h SER 70 N -0.99 0.00 0.15 -0.43 0.87 -0.98 1.05 113.55 113.22 1ufz h SER 70 Ca -0.05 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.15 1ufz h SER 70 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1ufz h SER 70 CO 0.08 0.00 -1.98 0.52 -0.53 0.00 0.00 176.83 174.92 1ufz n VAL 71 N -3.87 1.77 0.37 2.23 0.31 0.15 -2.84 118.33 116.44 1ufz n VAL 71 Ca 0.12 -0.67 0.12 0.00 -0.01 0.00 0.00 64.34 63.90 1ufz n VAL 71 Cb 0.80 -1.67 0.50 0.00 -0.91 0.00 0.00 33.84 32.56 1ufz n VAL 71 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ufz n VAL 72 N -3.44 0.85 -0.03 2.52 0.31 0.50 -0.24 118.33 118.80 1ufz n VAL 72 Ca -0.31 0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.16 1ufz n VAL 72 Cb 1.05 -1.22 -0.14 0.00 -0.91 0.00 0.00 33.84 32.62 1ufz n VAL 72 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ufz n LEU 73 N -2.24 1.64 0.04 7.52 4.77 0.33 -2.85 117.00 126.21 1ufz n LEU 73 Ca 0.02 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1ufz n LEU 73 Cb 0.21 -0.39 0.39 0.00 -2.33 0.00 0.00 43.42 41.31 1ufz n LEU 73 CO 0.19 0.62 0.71 -1.84 -1.33 0.00 0.00 177.39 175.73 1ufz n GLU 74 N -3.21 0.13 -0.02 3.23 0.28 -0.84 -3.16 120.64 117.06 1ufz n GLU 74 Ca -0.26 0.08 -0.02 0.00 -0.16 0.00 0.00 57.16 56.80 1ufz n GLU 74 Cb 1.06 -1.62 -0.13 0.00 1.43 0.00 0.00 31.44 32.18 1ufz n GLU 74 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ufz n GLN 75 N -1.83 0.65 -0.00 3.44 0.00 0.67 -4.17 117.38 116.13 1ufz n GLN 75 Ca 0.06 0.08 -0.13 0.00 -0.00 0.00 0.00 57.00 57.01 1ufz n GLN 75 Cb 0.38 -1.67 -0.10 0.00 0.00 0.00 0.00 30.24 28.86 1ufz n GLN 75 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1ufz h ASP 76 N 0.00 -0.04 -0.22 1.69 1.82 -1.54 -2.95 116.42 115.18 1ufz h ASP 76 Ca -0.26 -0.51 0.06 0.00 -0.39 0.00 0.00 57.03 55.93 1ufz h ASP 76 Cb 1.71 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.72 1ufz h ASP 76 CO 0.03 0.51 0.52 1.23 -1.61 0.00 0.00 179.24 179.92 1ufz h GLY 77 N -0.61 0.00 0.88 -0.78 0.00 -1.73 0.28 103.07 101.10 1ufz h GLY 77 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1ufz h GLY 77 CO 0.01 0.00 0.53 0.23 0.00 0.00 0.00 176.54 177.31 1ufz h SER 78 N 0.00 0.89 0.00 0.19 0.87 -1.68 -3.13 113.55 110.69 1ufz h SER 78 Ca 0.11 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ufz h SER 78 Cb 1.14 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1ufz h SER 78 CO -0.00 0.61 0.00 0.61 -0.53 0.00 0.00 176.83 177.52 1ufz n GLY 79 N -1.33 -2.93 0.00 5.77 0.00 0.99 -4.69 105.19 103.00 1ufz n GLY 79 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.56 -0.49 -3.27 1.61 -0.04 -1.18 -4.68 135.00 124.39 1ufz n PRO 80 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1ufz n PRO 80 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 1ufz n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ufz n SER 81 N -2.97 -6.38 -0.03 3.54 2.88 -1.26 -4.96 113.62 104.43 1ufz n SER 81 Ca 0.00 0.10 -0.07 0.00 -1.33 0.00 0.00 58.87 57.58 1ufz n SER 81 Cb 0.00 -2.97 -0.02 0.00 -0.75 0.00 0.00 64.21 60.47 1ufz n SER 81 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ufz n SER 82 N -0.19 1.50 0.00 -3.46 7.64 -1.26 -4.95 113.62 112.89 1ufz n SER 82 Ca -0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1ufz n SER 82 Cb 0.60 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1ufz n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64