#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 3.50 0.29 1.61 0.01 -1.26 -4.93 113.70 112.93 1ufz s SER 2 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1ufz s SER 2 Cb 0.00 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1ufz s SER 2 CO 0.00 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.19 1ufz n SER 3 N 4.75 -0.72 0.00 2.44 2.88 -1.26 -5.14 113.62 116.59 1ufz n SER 3 Ca -0.12 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1ufz n SER 3 Cb 0.45 0.86 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 1ufz n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufz n GLY 4 N 1.08 0.80 3.20 0.46 0.00 -1.26 -5.12 105.19 104.34 1ufz n GLY 4 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1ufz n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufz s SER 5 N 0.00 3.33 -0.08 1.61 0.01 -1.26 -5.02 113.70 112.28 1ufz s SER 5 Ca 0.00 -0.56 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 1ufz s SER 5 Cb 0.00 -1.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 1ufz s SER 5 CO 0.00 0.07 0.25 0.28 0.41 0.00 0.00 173.24 174.24 1ufz h SER 6 N 7.43 -0.12 0.00 2.44 0.02 -1.98 -3.51 113.55 117.83 1ufz h SER 6 Ca -0.35 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ufz h SER 6 Cb 1.18 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1ufz h SER 6 CO 0.57 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1ufz n GLY 7 N 1.37 -0.69 0.35 -3.77 0.00 -1.26 -4.99 105.19 96.19 1ufz n GLY 7 Ca -0.03 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.83 -0.84 1.61 4.81 -2.01 -3.16 114.58 114.16 1ufz h GLU 8 Ca 0.00 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1ufz h GLU 8 Cb 0.00 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 29.43 1ufz h GLU 8 CO 0.00 -0.55 -0.29 0.98 -0.73 0.00 0.00 179.01 178.42 1ufz n TYR 9 N -4.71 0.11 -0.06 0.92 9.36 -1.26 -0.83 117.16 120.69 1ufz n TYR 9 Ca -0.11 1.03 -0.03 0.00 3.32 0.00 0.00 57.90 62.11 1ufz n TYR 9 Cb 0.34 -0.87 -0.03 0.00 -0.63 0.00 0.00 39.34 38.15 1ufz n TYR 9 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ufz h GLY 10 N 0.00 -1.91 -0.96 2.98 0.00 -1.93 0.52 103.07 101.76 1ufz h GLY 10 Ca 0.33 0.91 0.21 0.00 0.00 0.00 0.00 47.33 48.78 1ufz h GLY 10 CO -0.84 -0.65 -0.16 2.98 0.00 0.00 0.00 176.54 177.86 1ufz n TYR 11 N -3.46 0.42 0.26 5.60 9.36 -0.01 0.14 117.16 129.47 1ufz n TYR 11 Ca -0.00 1.17 -0.16 0.00 3.32 0.00 0.00 57.90 62.23 1ufz n TYR 11 Cb 0.08 -1.11 -0.08 0.00 -0.63 0.00 0.00 39.34 37.60 1ufz n TYR 11 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1ufz h GLU 12 N 0.00 -0.61 -0.29 2.98 5.08 -0.66 -2.37 114.58 118.71 1ufz h GLU 12 Ca 0.50 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.95 1ufz h GLU 12 Cb 0.85 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.16 1ufz h GLU 12 CO -0.96 -0.36 -0.43 0.22 -1.00 0.00 0.00 179.01 176.48 1ufz h ASP 13 N -0.74 -1.40 -0.85 1.42 1.82 0.38 -0.01 116.42 117.03 1ufz h ASP 13 Ca -0.06 0.20 0.15 0.00 -0.39 0.00 0.00 57.03 56.93 1ufz h ASP 13 Cb 0.54 0.59 -0.15 0.00 0.68 0.00 0.00 39.33 40.99 1ufz h ASP 13 CO 0.11 -0.40 -0.31 -0.07 -1.61 0.00 0.00 179.24 176.96 1ufz h LEU 14 N -0.40 -1.12 -1.90 2.28 3.38 -0.24 -3.47 115.31 113.83 1ufz h LEU 14 Ca 0.11 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1ufz h LEU 14 Cb 0.60 0.63 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1ufz h LEU 14 CO -0.50 -0.29 -1.05 -1.14 0.09 0.00 0.00 178.44 175.55 1ufz n ARG 15 N -5.50 -4.48 -4.25 1.13 3.00 -0.02 -5.07 116.66 101.47 1ufz n ARG 15 Ca 0.10 3.29 -0.15 0.00 -0.00 0.00 0.00 57.85 61.09 1ufz n ARG 15 Cb 0.41 -4.34 -0.09 0.00 0.00 0.00 0.00 32.46 28.44 1ufz n ARG 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ufz s GLU 16 N -0.55 1.42 0.00 -0.14 0.41 -1.26 -4.87 118.70 113.71 1ufz s GLU 16 Ca -0.08 -1.79 0.00 0.00 -0.41 0.00 0.00 54.97 52.69 1ufz s GLU 16 Cb 0.01 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.58 1ufz s GLU 16 CO 0.23 -0.47 0.00 0.45 -0.49 0.00 0.00 175.26 174.97 1ufz n SER 17 N -0.74 0.00 -0.38 -0.19 2.88 -1.26 -4.43 113.62 109.50 1ufz n SER 17 Ca 0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.47 1ufz n SER 17 Cb 0.65 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 -2.07 -0.12 -3.46 0.87 -2.02 -3.37 113.55 103.38 1ufz h SER 18 Ca 0.00 0.32 -0.56 0.00 -1.23 0.00 0.00 61.79 60.31 1ufz h SER 18 Cb 0.00 0.92 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 1ufz h SER 18 CO 0.00 -0.26 1.64 -0.46 -0.53 0.00 0.00 176.83 177.22 1ufz n ASN 19 N -5.28 0.56 -0.12 6.23 0.23 -1.26 -4.73 115.26 110.89 1ufz n ASN 19 Ca 0.02 0.26 -0.24 0.00 -0.53 0.00 0.00 54.58 54.09 1ufz n ASN 19 Cb 0.28 -0.96 -0.10 0.00 -2.08 0.00 0.00 39.78 36.92 1ufz n ASN 19 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1ufz n SER 20 N 10.09 1.92 -0.36 0.53 2.88 -1.26 -4.24 113.62 123.18 1ufz n SER 20 Ca 0.61 0.38 -0.05 0.00 -1.33 0.00 0.00 58.87 58.48 1ufz n SER 20 Cb 0.05 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 62.63 1ufz n SER 20 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ufz h LEU 21 N -1.00 -1.63 -0.65 2.46 4.07 -1.96 0.18 115.31 116.77 1ufz h LEU 21 Ca -0.50 0.30 0.06 0.00 0.08 0.00 0.00 57.88 57.82 1ufz h LEU 21 Cb 1.41 0.79 -0.09 0.00 1.08 0.00 0.00 40.66 43.86 1ufz h LEU 21 CO -0.30 -0.28 -0.48 0.25 -1.08 0.00 0.00 178.44 176.55 1ufz h LEU 22 N -0.04 -1.71 -0.94 1.67 5.85 -1.96 1.55 115.31 119.73 1ufz h LEU 22 Ca 0.27 0.25 0.17 0.00 0.84 0.00 0.00 57.88 59.40 1ufz h LEU 22 Cb 0.54 0.74 -0.17 0.00 0.37 0.00 0.00 40.66 42.14 1ufz h LEU 22 CO -0.92 -0.24 -0.32 0.78 -0.34 0.00 0.00 178.44 177.40 1ufz h ASN 23 N -0.12 -1.17 0.09 1.25 2.35 -0.86 0.45 115.58 117.58 1ufz h ASN 23 Ca 0.11 0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1ufz h ASN 23 Cb 0.39 0.67 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1ufz h ASN 23 CO -0.68 -0.30 -0.04 -0.74 -1.65 0.00 0.00 177.43 174.02 1ufz h HIS 24 N -0.02 -0.11 -0.94 1.19 2.76 0.52 -2.82 115.15 115.73 1ufz h HIS 24 Ca 0.38 -0.00 0.26 0.00 -2.20 0.00 0.00 60.37 58.81 1ufz h HIS 24 Cb 0.64 0.04 -0.17 0.00 1.55 0.00 0.00 27.41 29.47 1ufz h HIS 24 CO -0.79 0.08 0.11 1.96 -1.30 0.00 0.00 177.93 177.99 1ufz h GLN 25 N -0.29 0.06 -5.57 5.26 4.20 0.63 -3.37 115.11 116.03 1ufz h GLN 25 Ca -0.01 -0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.13 1ufz h GLN 25 Cb 0.25 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1ufz h GLN 25 CO 0.02 0.04 1.59 1.28 -0.67 0.00 0.00 178.83 181.09 1ufz n LEU 26 N -5.39 1.54 -4.73 1.46 4.77 0.43 -4.85 117.00 110.22 1ufz n LEU 26 Ca 0.23 0.08 -0.36 0.00 -0.03 0.00 0.00 56.01 55.92 1ufz n LEU 26 Cb 0.75 -1.23 0.06 0.00 -2.33 0.00 0.00 43.42 40.67 1ufz n LEU 26 CO -0.02 -0.98 0.88 -0.44 -1.33 0.00 0.00 177.39 175.50 1ufz s SER 27 N 9.24 4.68 0.29 -1.43 0.01 -1.26 -4.35 113.70 120.87 1ufz s SER 27 Ca 1.15 2.55 0.02 0.00 1.31 0.00 0.00 55.95 60.98 1ufz s SER 27 Cb -0.81 -2.61 0.72 0.00 0.21 0.00 0.00 66.02 63.53 1ufz s SER 27 CO 0.43 -1.95 1.48 1.21 0.41 0.00 0.00 173.24 174.82 1ufz n GLU 28 N -1.93 -0.08 -0.00 12.44 2.13 -1.26 0.65 120.64 132.59 1ufz n GLU 28 Ca 0.15 1.42 -0.03 0.00 0.66 0.00 0.00 57.16 59.36 1ufz n GLU 28 Cb 0.49 -2.25 -0.02 0.00 0.27 0.00 0.00 31.44 29.92 1ufz n GLU 28 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1ufz h ILE 29 N 0.00 0.00 0.20 6.31 1.08 -1.99 1.36 117.51 124.47 1ufz h ILE 29 Ca 0.57 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.05 1ufz h ILE 29 Cb 1.18 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 1ufz h ILE 29 CO -0.89 0.00 -0.30 0.44 -0.69 0.00 0.00 178.15 176.71 1ufz h ASP 30 N -0.12 -0.83 -0.79 1.72 5.19 -1.12 -2.05 116.42 118.43 1ufz h ASP 30 Ca 0.01 0.09 0.14 0.00 -0.62 0.00 0.00 57.03 56.65 1ufz h ASP 30 Cb 0.14 0.30 -0.14 0.00 0.18 0.00 0.00 39.33 39.80 1ufz h ASP 30 CO -0.09 -0.40 -0.28 -0.61 -3.12 0.00 0.00 179.24 174.73 1ufz h GLN 31 N -0.57 -0.05 -0.95 3.56 4.15 0.54 1.42 115.11 123.21 1ufz h GLN 31 Ca 0.01 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.60 1ufz h GLN 31 Cb 0.56 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.17 1ufz h GLN 31 CO -0.12 -0.03 0.60 0.00 -1.93 0.00 0.00 178.83 177.35 1ufz h ALA 32 N 1.48 1.81 0.49 3.38 0.00 0.24 0.69 119.26 127.34 1ufz h ALA 32 Ca 0.33 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1ufz h ALA 32 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ufz h ALA 32 CO -0.82 -0.11 -0.23 0.00 0.00 0.00 0.00 179.25 178.08 1ufz h ARG 33 N 0.71 -0.63 -0.81 0.00 2.47 0.24 -1.16 114.38 115.19 1ufz h ARG 33 Ca 0.51 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 59.41 1ufz h ARG 33 Cb 0.85 0.14 -0.14 0.00 -1.65 0.00 0.00 29.97 29.17 1ufz h ARG 33 CO -0.27 -0.39 -0.33 1.25 0.56 0.00 0.00 179.97 180.79 1ufz h LEU 34 N -1.15 -1.18 -0.88 3.04 7.12 0.34 0.75 115.31 123.34 1ufz h LEU 34 Ca -0.07 0.27 0.03 0.00 0.13 0.00 0.00 57.88 58.23 1ufz h LEU 34 Cb 0.53 0.64 -0.05 0.00 -0.53 0.00 0.00 40.66 41.24 1ufz h LEU 34 CO 0.11 -0.29 0.58 1.88 -0.13 0.00 0.00 178.44 180.58 1ufz h TYR 35 N -0.06 1.09 0.00 1.25 0.05 -0.94 0.89 116.97 119.25 1ufz h TYR 35 Ca 0.32 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.12 1ufz h TYR 35 Cb 0.59 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1ufz h TYR 35 CO -0.74 0.65 -0.01 1.03 -1.05 0.00 0.00 178.16 178.04 1ufz h SER 36 N 1.14 0.00 0.00 3.88 0.87 0.17 -0.72 113.55 118.89 1ufz h SER 36 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1ufz h SER 36 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1ufz h SER 36 CO -0.10 0.01 -0.66 0.00 -0.53 0.00 0.00 176.83 175.55 1ufz n LEU 38 N -4.36 -0.70 -0.16 0.00 0.00 0.29 0.23 117.00 112.29 1ufz n LEU 38 Ca -0.09 1.43 -0.03 0.00 0.00 0.00 0.00 56.01 57.31 1ufz n LEU 38 Cb 0.34 -0.28 0.03 0.00 0.00 0.00 0.00 43.42 43.51 1ufz n LEU 38 CO 0.14 -1.09 0.73 -0.78 0.00 0.00 0.00 177.39 176.39 1ufz h ASP 39 N 0.00 -0.62 0.27 1.96 3.58 -1.35 2.56 116.42 122.81 1ufz h ASP 39 Ca 0.11 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1ufz h ASP 39 Cb 0.27 0.37 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1ufz h ASP 39 CO -0.62 -0.21 -0.17 -0.74 -2.88 0.00 0.00 179.24 174.62 1ufz h HIS 40 N -0.06 -0.44 0.00 0.28 2.76 0.34 0.32 115.15 118.35 1ufz h HIS 40 Ca 0.24 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1ufz h HIS 40 Cb 0.43 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1ufz h HIS 40 CO -0.47 -0.25 0.01 -0.12 -1.30 0.00 0.00 177.93 175.81 1ufz n MET 41 N -3.27 0.03 -0.06 5.26 1.56 0.62 -1.49 117.12 119.77 1ufz n MET 41 Ca -0.05 0.52 -0.18 0.00 -0.27 0.00 0.00 57.70 57.71 1ufz n MET 41 Cb 0.17 -1.60 -0.13 0.00 2.15 0.00 0.00 33.22 33.81 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 0.06 -0.19 2.12 2.47 0.54 -1.58 114.38 117.80 1ufz h ARG 42 Ca 0.00 -0.10 0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1ufz h ARG 42 Cb 0.03 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1ufz h ARG 42 CO 0.00 1.05 0.41 1.49 0.56 0.00 0.00 179.97 183.48 1ufz h GLU 43 N -0.85 0.00 0.00 0.04 4.57 0.72 1.76 114.58 120.82 1ufz h GLU 43 Ca -0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1ufz h GLU 43 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1ufz h GLU 43 CO -0.05 0.00 0.00 1.55 -1.18 0.00 0.00 179.01 179.33 1ufz n VAL 44 N -3.25 0.00 0.07 0.32 3.14 -1.18 -4.59 118.33 112.84 1ufz n VAL 44 Ca 0.02 0.15 -0.21 0.00 -2.96 0.00 0.00 64.34 61.34 1ufz n VAL 44 Cb 0.52 -1.02 -0.13 0.00 -1.06 0.00 0.00 33.84 32.15 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 0.73 -1.45 6.55 4.07 -1.27 -3.25 115.31 120.69 1ufz h LEU 45 Ca 0.00 -0.84 0.44 0.00 0.08 0.00 0.00 57.88 57.56 1ufz h LEU 45 Cb 0.00 -0.23 -0.08 0.00 1.08 0.00 0.00 40.66 41.43 1ufz h LEU 45 CO 0.00 1.51 1.02 0.61 -1.08 0.00 0.00 178.44 180.49 1ufz n GLY 46 N 1.40 -0.77 0.39 0.83 0.00 0.58 0.26 105.19 107.89 1ufz n GLY 46 Ca -0.13 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.56 0.00 1.61 3.32 -1.12 -3.31 116.42 115.36 1ufz h ASP 47 Ca 0.75 0.31 -0.19 0.00 0.02 0.00 0.00 57.03 57.92 1ufz h ASP 47 Cb 2.83 0.78 -0.03 0.00 0.22 0.00 0.00 39.33 43.14 1ufz h ASP 47 CO -0.13 -0.28 -1.56 0.00 -1.72 0.00 0.00 179.24 175.55 1ufz n ALA 48 N -3.41 2.14 -1.77 3.45 0.00 0.14 -5.01 120.51 116.05 1ufz n ALA 48 Ca 0.08 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 1ufz n ALA 48 Cb 0.37 0.31 0.01 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.26 2.13 0.00 0.00 1.01 0.31 -5.01 120.40 116.57 1ufz s VAL 49 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1ufz s VAL 49 Cb 0.06 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1ufz s VAL 49 CO 0.23 0.02 0.00 -0.81 0.00 0.00 0.00 175.10 174.54 1ufz n PRO 50 N 0.06 0.66 -0.08 2.72 -0.04 -1.26 -3.71 135.00 133.34 1ufz n PRO 50 Ca 0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1ufz n PRO 50 Cb 0.41 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.54 3.54 3.04 -1.95 -3.34 116.42 117.06 1ufz h ASP 51 Ca 0.00 -0.24 0.05 0.00 -3.24 0.00 0.00 57.03 53.60 1ufz h ASP 51 Cb 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.22 1ufz h ASP 51 CO 0.00 1.04 -0.32 -0.67 -2.04 0.00 0.00 179.24 177.25 1ufz n ASP 52 N -4.55 -0.58 -0.41 4.15 2.03 -1.26 0.20 116.55 116.13 1ufz n ASP 52 Ca -0.17 1.32 -0.10 0.00 0.52 0.00 0.00 54.79 56.36 1ufz n ASP 52 Cb 0.42 -0.30 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 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 -4.24 -0.66 0.14 5.18 5.41 -1.26 0.85 119.36 124.78 1ufz n ILE 53 Ca 0.01 2.38 -0.13 0.00 1.00 0.00 0.00 62.75 66.01 1ufz n ILE 53 Cb 0.14 -2.95 -0.06 0.00 -0.71 0.00 0.00 39.64 36.06 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 -0.59 -0.66 1.39 3.38 -0.49 -2.72 115.31 115.62 1ufz h LEU 54 Ca 0.17 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.28 1ufz h LEU 54 Cb 0.41 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 1ufz h LEU 54 CO -0.93 -0.32 -0.47 0.74 0.09 0.00 0.00 178.44 177.55 1ufz h THR 55 N -0.45 0.05 -0.88 0.22 2.02 0.58 0.25 112.91 114.69 1ufz h THR 55 Ca 0.01 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1ufz h THR 55 Cb 0.44 0.05 -0.16 0.00 -1.74 0.00 0.00 68.15 66.74 1ufz h THR 55 CO -0.07 0.00 -0.11 -0.33 0.37 0.00 0.00 175.52 175.38 1ufz h GLU 56 N -0.20 0.03 -0.51 6.66 5.08 0.75 0.83 114.58 127.21 1ufz h GLU 56 Ca 0.18 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.63 1ufz h GLU 56 Cb 0.55 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 1ufz h GLU 56 CO -0.74 0.02 0.04 0.00 -1.00 0.00 0.00 179.01 177.32 1ufz h ALA 57 N 1.87 0.52 -0.12 3.43 0.00 -0.27 1.49 119.26 126.18 1ufz h ALA 57 Ca 0.47 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.55 1ufz h ALA 57 Cb 0.81 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1ufz h ALA 57 CO -0.86 -0.36 -0.13 0.82 0.00 0.00 0.00 179.25 178.72 1ufz h ILE 58 N 0.16 0.65 0.00 0.00 2.04 0.12 0.31 117.51 120.78 1ufz h ILE 58 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1ufz h ILE 58 Cb 0.39 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1ufz h ILE 58 CO -0.40 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.93 1ufz n LEU 59 N -5.27 0.59 0.21 1.44 7.99 -0.32 0.13 117.00 121.76 1ufz n LEU 59 Ca -0.03 0.64 0.13 0.00 -0.01 0.00 0.00 56.01 56.74 1ufz n LEU 59 Cb 0.19 -0.56 0.27 0.00 -0.11 0.00 0.00 43.42 43.21 1ufz n LEU 59 CO 0.23 -0.51 0.84 0.50 -1.51 0.00 0.00 177.39 176.95 1ufz h LYS 60 N 0.00 0.00 -0.08 3.23 1.63 0.58 -3.27 116.57 118.66 1ufz h LYS 60 Ca 0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 1ufz h LYS 60 Cb 0.37 0.00 -0.35 0.00 -0.60 0.00 0.00 32.23 31.64 1ufz h LYS 60 CO 0.00 0.00 -0.99 0.72 -3.45 0.00 0.00 179.45 175.73 1ufz n HIS 61 N -2.97 0.23 -3.84 1.91 8.25 -0.50 -5.01 115.22 113.28 1ufz n HIS 61 Ca 0.04 -0.86 -0.31 0.00 -0.26 0.00 0.00 57.72 56.32 1ufz n HIS 61 Cb 0.49 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.43 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 0.16 -0.96 -2.65 -0.41 4.76 0.65 -3.72 118.16 115.99 1ufz n LYS 62 Ca 0.08 0.41 -0.05 0.00 -2.87 0.00 0.00 58.31 55.88 1ufz n LYS 62 Cb 1.05 -2.07 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 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 -3.37 -3.84 -2.71 2.13 3.01 0.34 -4.98 117.46 108.04 1ufz n PHE 63 Ca -0.22 2.24 -0.05 0.00 1.01 0.00 0.00 57.45 60.43 1ufz n PHE 63 Cb 0.59 -3.47 0.05 0.00 -0.01 0.00 0.00 39.48 36.64 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 1.87 -2.19 -0.38 4.37 2.03 -1.24 -5.03 116.55 115.97 1ufz n ASP 64 Ca -0.34 -2.33 -0.06 0.00 0.52 0.00 0.00 54.79 52.58 1ufz n ASP 64 Cb 0.53 1.25 -0.03 0.00 -0.72 0.00 0.00 41.12 42.15 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 2.63 0.01 -0.94 5.18 2.07 -1.95 1.61 116.25 124.86 1ufz h VAL 65 Ca -0.13 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.55 1ufz h VAL 65 Cb 1.13 0.01 -0.16 0.00 -1.52 0.00 0.00 31.29 30.75 1ufz h VAL 65 CO 0.03 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.29 1ufz n GLN 66 N -5.37 -0.18 0.07 1.57 1.13 -1.26 0.20 117.38 113.54 1ufz n GLN 66 Ca 0.06 1.46 -0.08 0.00 -1.94 0.00 0.00 57.00 56.50 1ufz n GLN 66 Cb 0.33 -2.17 -0.05 0.00 0.11 0.00 0.00 30.24 28.47 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 -0.26 -0.98 -1.09 1.63 -0.46 -0.75 116.57 114.66 1ufz h LYS 67 Ca 0.36 0.02 0.34 0.00 -0.85 0.00 0.00 60.65 60.53 1ufz h LYS 67 Cb 0.60 0.06 -0.18 0.00 -0.60 0.00 0.00 32.23 32.11 1ufz h LYS 67 CO -0.95 0.02 0.29 0.00 -3.45 0.00 0.00 179.45 175.36 1ufz n ALA 68 N -2.68 0.77 0.02 5.00 0.00 0.50 0.16 120.51 124.27 1ufz n ALA 68 Ca -0.06 1.03 -0.12 0.00 0.00 0.00 0.00 53.44 54.29 1ufz n ALA 68 Cb 0.20 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.10 -1.92 0.00 3.38 0.23 1.47 115.31 118.36 1ufz h LEU 69 Ca 0.72 -0.47 0.22 0.00 0.09 0.00 0.00 57.88 58.44 1ufz h LEU 69 Cb 1.74 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 1ufz h LEU 69 CO -0.84 0.47 0.56 -1.28 0.09 0.00 0.00 178.44 177.44 1ufz h SER 70 N -0.73 0.07 0.07 -0.43 0.87 0.20 1.43 113.55 115.03 1ufz h SER 70 Ca -0.01 0.01 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 1ufz h SER 70 Cb 0.56 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1ufz h SER 70 CO 0.02 0.03 -1.61 0.58 -0.53 0.00 0.00 176.83 175.32 1ufz h VAL 71 N 0.07 0.80 0.00 2.23 2.07 0.16 -2.65 116.25 118.92 1ufz h VAL 71 Ca 0.38 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1ufz h VAL 71 Cb 1.41 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1ufz h VAL 71 CO -0.03 0.62 0.00 0.52 0.02 0.00 0.00 177.57 178.69 1ufz n VAL 72 N -3.95 1.03 -0.09 2.57 0.31 0.50 -1.26 118.33 117.43 1ufz n VAL 72 Ca -0.31 0.49 -0.15 0.00 -0.01 0.00 0.00 64.34 64.36 1ufz n VAL 72 Cb 0.87 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 32.28 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 -2.16 1.86 0.23 7.52 4.77 0.48 -3.14 117.00 126.56 1ufz n LEU 73 Ca 0.00 0.48 0.18 0.00 -0.03 0.00 0.00 56.01 56.65 1ufz n LEU 73 Cb 0.12 -0.89 0.85 0.00 -2.33 0.00 0.00 43.42 41.16 1ufz n LEU 73 CO 0.13 -0.01 1.15 1.05 -1.33 0.00 0.00 177.39 178.38 1ufz h GLU 74 N -1.00 0.00 0.19 3.23 4.11 -1.18 0.18 114.58 120.11 1ufz h GLU 74 Ca -0.23 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.87 1ufz h GLU 74 Cb 1.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.29 1ufz h GLU 74 CO -0.14 0.00 -1.54 1.96 0.07 0.00 0.00 179.01 179.36 1ufz h GLN 75 N 0.00 0.39 -0.16 1.06 4.20 -1.33 -2.72 115.11 116.54 1ufz h GLN 75 Ca 0.08 -0.67 0.05 0.00 0.06 0.00 0.00 58.65 58.16 1ufz h GLN 75 Cb 0.63 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1ufz h GLN 75 CO -0.00 1.30 0.13 0.22 -0.67 0.00 0.00 178.83 179.81 1ufz h ASP 76 N 0.11 0.00 0.50 1.46 1.82 -0.60 0.28 116.42 119.99 1ufz h ASP 76 Ca -0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1ufz h ASP 76 Cb 2.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.10 1ufz h ASP 76 CO 0.21 0.00 -0.88 0.61 -1.61 0.00 0.00 179.24 177.57 1ufz n GLY 77 N -1.50 -1.24 0.08 -0.78 0.00 -0.94 -4.16 105.19 96.65 1ufz n GLY 77 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1ufz n GLY 77 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ufz h SER 78 N 0.00 0.14 -0.33 1.61 4.64 -0.13 -3.31 113.55 116.17 1ufz h SER 78 Ca 0.00 -0.54 0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1ufz h SER 78 Cb 0.69 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 1ufz h SER 78 CO 0.00 0.65 -0.40 1.23 -0.87 0.00 0.00 176.83 177.45 1ufz h GLY 79 N -0.37 -1.30 -7.41 -0.77 0.00 -1.61 -3.32 103.07 88.29 1ufz h GLY 79 Ca 0.00 0.77 -0.52 0.00 0.00 0.00 0.00 47.33 47.59 1ufz h GLY 79 CO 0.02 -0.30 1.20 2.56 0.00 0.00 0.00 176.54 180.02 1ufz s PRO 80 N -4.84 2.92 0.25 4.80 0.04 -1.25 -4.26 135.00 132.66 1ufz s PRO 80 Ca -0.10 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1ufz s PRO 80 Cb 0.06 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1ufz s PRO 80 CO 0.43 -2.45 0.00 0.45 0.04 0.00 0.00 177.00 175.47 1ufz n SER 81 N 11.06 -2.22 -4.88 6.66 2.88 -1.25 -4.92 113.62 120.95 1ufz n SER 81 Ca 0.12 0.52 -0.35 0.00 -1.33 0.00 0.00 58.87 57.84 1ufz n SER 81 Cb 0.50 2.27 -0.05 0.00 -0.75 0.00 0.00 64.21 66.18 1ufz n SER 81 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ufz s SER 82 N -1.59 6.47 0.00 -3.46 0.15 -1.26 -5.22 113.70 108.79 1ufz s SER 82 Ca 0.00 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1ufz s SER 82 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1ufz s SER 82 CO 0.00 0.29 0.10 0.61 1.20 0.00 0.00 173.24 175.44