#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 -1.38 -0.24 1.61 0.01 -1.26 -5.14 113.70 107.29 1ufz s SER 2 Ca 0.00 -0.21 -0.17 0.00 1.31 0.00 0.00 55.95 56.88 1ufz s SER 2 Cb 0.00 1.82 0.07 0.00 0.21 0.00 0.00 66.02 68.11 1ufz s SER 2 CO 0.00 -0.21 0.61 -0.55 0.41 0.00 0.00 173.24 173.50 1ufz s SER 3 N 2.41 -0.75 0.00 2.44 0.15 -1.26 -5.00 113.70 111.69 1ufz s SER 3 Ca 0.14 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1ufz s SER 3 Cb -0.06 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1ufz s SER 3 CO -0.18 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1ufz n GLY 4 N 3.66 2.21 2.84 9.45 0.00 -1.26 -4.99 105.19 117.10 1ufz n GLY 4 Ca -0.18 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 1ufz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufz n SER 5 N 0.00 -7.72 -2.71 1.61 2.88 -1.26 -5.03 113.62 101.39 1ufz n SER 5 Ca 0.00 1.12 -0.04 0.00 -1.33 0.00 0.00 58.87 58.62 1ufz n SER 5 Cb 0.00 -4.60 0.03 0.00 -0.75 0.00 0.00 64.21 58.89 1ufz n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ufz n SER 6 N 0.68 -2.25 0.00 -3.46 2.88 -1.26 -4.99 113.62 105.22 1ufz n SER 6 Ca 0.01 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 1ufz n SER 6 Cb 0.16 1.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 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 2.59 2.17 0.32 0.46 0.00 -1.26 -4.71 105.19 104.76 1ufz n GLY 7 Ca 0.13 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.09 -0.40 1.61 4.11 -1.98 0.52 114.58 118.53 1ufz h GLU 8 Ca 0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.51 1ufz h GLU 8 Cb 0.00 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 1ufz h GLU 8 CO 0.00 0.06 -0.16 -0.92 0.07 0.00 0.00 179.01 178.06 1ufz h TYR 9 N 0.09 -0.38 0.42 2.06 3.20 -1.94 0.08 116.97 120.51 1ufz h TYR 9 Ca 0.58 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.47 1ufz h TYR 9 Cb 1.22 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.72 1ufz h TYR 9 CO -0.36 -0.24 -0.20 0.78 -1.64 0.00 0.00 178.16 176.50 1ufz h GLY 10 N -0.08 -0.59 -0.90 1.82 0.00 -0.56 -3.29 103.07 99.47 1ufz h GLY 10 Ca 0.20 0.22 0.16 0.00 0.00 0.00 0.00 47.33 47.91 1ufz h GLY 10 CO -0.45 -0.21 -0.29 -1.72 0.00 0.00 0.00 176.54 173.86 1ufz n TYR 11 N -5.16 0.18 -0.28 5.60 4.01 0.97 -0.08 117.16 122.39 1ufz n TYR 11 Ca -0.08 1.10 -0.12 0.00 -0.16 0.00 0.00 57.90 58.64 1ufz n TYR 11 Cb 0.25 -0.93 -0.10 0.00 -0.31 0.00 0.00 39.34 38.26 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 -0.18 -0.13 -0.72 5.08 -1.05 0.33 114.58 117.91 1ufz h GLU 12 Ca 0.37 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 1ufz h GLU 12 Cb 0.60 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1ufz h GLU 12 CO -0.91 -0.12 -0.25 -0.44 -1.00 0.00 0.00 179.01 176.29 1ufz h ASP 13 N -0.19 -0.77 -0.75 1.42 3.32 -0.57 -1.32 116.42 117.57 1ufz h ASP 13 Ca 0.12 0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.43 1ufz h ASP 13 Cb 0.49 0.34 -0.14 0.00 0.22 0.00 0.00 39.33 40.24 1ufz h ASP 13 CO -0.76 -0.30 -0.27 -0.07 -1.72 0.00 0.00 179.24 176.12 1ufz h LEU 14 N -0.31 -0.96 -9.15 1.55 -0.00 0.22 -3.37 115.31 103.29 1ufz h LEU 14 Ca 0.10 0.24 -0.59 0.00 -0.00 0.00 0.00 57.88 57.63 1ufz h LEU 14 Cb 0.47 0.55 0.01 0.00 -0.00 0.00 0.00 40.66 41.69 1ufz h LEU 14 CO -0.31 -0.28 1.27 0.54 -0.00 0.00 0.00 178.44 179.66 1ufz n ARG 15 N -5.48 2.20 -0.08 1.13 1.74 0.92 -4.95 116.66 112.13 1ufz n ARG 15 Ca 0.09 0.75 -0.06 0.00 -0.77 0.00 0.00 57.85 57.86 1ufz n ARG 15 Cb 0.39 -2.87 0.06 0.00 -1.02 0.00 0.00 32.46 29.02 1ufz n ARG 15 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ufz n GLU 16 N 7.58 -2.35 -3.71 5.56 1.02 -1.26 -4.94 120.64 122.54 1ufz n GLU 16 Ca 0.26 -0.32 -0.35 0.00 -0.02 0.00 0.00 57.16 56.73 1ufz n GLU 16 Cb 0.35 -0.38 -0.08 0.00 -0.02 0.00 0.00 31.44 31.31 1ufz n GLU 16 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ufz s SER 17 N -2.20 5.52 -0.11 1.62 1.04 -1.26 -4.57 113.70 113.73 1ufz s SER 17 Ca 0.14 -3.40 -0.07 0.00 0.48 0.00 0.00 55.95 53.09 1ufz s SER 17 Cb -0.02 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.23 1ufz s SER 17 CO 0.12 -0.24 -0.14 -1.20 0.98 0.00 0.00 173.24 172.75 1ufz n SER 18 N 2.73 1.41 -4.94 7.02 7.64 -1.26 -4.79 113.62 121.43 1ufz n SER 18 Ca 0.16 0.54 -0.20 0.00 1.01 0.00 0.00 58.87 60.38 1ufz n SER 18 Cb 0.37 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.76 1ufz n SER 18 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ufz s ASN 19 N -5.25 5.98 0.13 6.43 0.01 -1.26 -4.89 114.94 116.09 1ufz s ASN 19 Ca -0.12 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.62 1ufz s ASN 19 Cb 0.02 -1.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.14 1ufz s ASN 19 CO 0.18 -0.22 1.59 0.28 -1.51 0.00 0.00 177.10 177.41 1ufz h SER 20 N 1.13 -1.26 -0.65 -1.22 0.02 -1.97 1.23 113.55 110.82 1ufz h SER 20 Ca -0.49 0.17 0.13 0.00 -0.84 0.00 0.00 61.79 60.76 1ufz h SER 20 Cb 1.24 0.51 -0.12 0.00 0.14 0.00 0.00 62.40 64.17 1ufz h SER 20 CO 0.58 -0.42 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.56 1ufz h LEU 21 N -0.49 -0.77 -0.03 5.07 4.07 -1.99 1.22 115.31 122.38 1ufz h LEU 21 Ca 0.07 0.21 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 1ufz h LEU 21 Cb 0.62 0.46 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 1ufz h LEU 21 CO -0.38 -0.25 0.02 -0.07 -1.08 0.00 0.00 178.44 176.68 1ufz h LEU 22 N -0.05 0.04 -1.56 1.67 4.07 -1.54 -1.98 115.31 115.96 1ufz h LEU 22 Ca 0.30 -0.11 0.14 0.00 0.08 0.00 0.00 57.88 58.29 1ufz h LEU 22 Cb 0.51 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.19 1ufz h LEU 22 CO -0.69 0.14 0.50 -1.13 -1.08 0.00 0.00 178.44 176.18 1ufz h ASN 23 N -0.06 0.41 -0.85 -0.43 -1.24 0.41 0.10 115.58 113.91 1ufz h ASN 23 Ca 0.01 0.02 0.16 0.00 0.71 0.00 0.00 56.30 57.21 1ufz h ASN 23 Cb 0.11 -0.06 -0.10 0.00 0.73 0.00 0.00 38.32 39.00 1ufz h ASN 23 CO -0.00 0.21 0.42 -0.74 -1.29 0.00 0.00 177.43 176.03 1ufz h HIS 24 N 0.44 0.72 -1.05 0.67 2.76 0.22 0.34 115.15 119.24 1ufz h HIS 24 Ca 0.37 0.04 0.27 0.00 -2.20 0.00 0.00 60.37 58.84 1ufz h HIS 24 Cb 0.82 -0.19 -0.10 0.00 1.55 0.00 0.00 27.41 29.48 1ufz h HIS 24 CO -0.00 0.12 0.66 1.96 -1.30 0.00 0.00 177.93 179.37 1ufz h GLN 25 N 0.55 0.40 -2.47 5.26 4.20 -0.76 -3.47 115.11 118.84 1ufz h GLN 25 Ca 0.48 -0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.43 1ufz h GLN 25 Cb 0.76 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.36 1ufz h GLN 25 CO -0.41 0.27 -0.51 1.28 -0.67 0.00 0.00 178.83 178.79 1ufz n LEU 26 N -4.69 -0.56 -4.91 1.46 4.77 0.12 -4.81 117.00 108.38 1ufz n LEU 26 Ca 0.26 1.25 -0.31 0.00 -0.03 0.00 0.00 56.01 57.19 1ufz n LEU 26 Cb 0.88 -3.48 -0.04 0.00 -2.33 0.00 0.00 43.42 38.44 1ufz n LEU 26 CO 0.23 -2.35 -0.03 -0.94 -1.33 0.00 0.00 177.39 172.97 1ufz s SER 27 N -5.61 6.44 0.32 -1.43 1.04 -1.26 -4.63 113.70 108.57 1ufz s SER 27 Ca 0.00 0.46 0.09 0.00 0.48 0.00 0.00 55.95 56.98 1ufz s SER 27 Cb 0.00 -2.04 0.95 0.00 0.10 0.00 0.00 66.02 65.03 1ufz s SER 27 CO 0.00 0.08 1.60 1.05 0.98 0.00 0.00 173.24 176.95 1ufz h GLU 28 N 2.83 0.07 0.45 4.02 4.11 -1.95 0.50 114.58 124.61 1ufz h GLU 28 Ca -0.46 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.95 1ufz h GLU 28 Cb 1.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ufz h GLU 28 CO 0.73 0.05 -0.22 0.82 0.07 0.00 0.00 179.01 180.47 1ufz h ILE 29 N 0.08 0.00 -0.87 -1.06 5.03 -1.99 -2.21 117.51 116.49 1ufz h ILE 29 Ca 0.67 -0.10 0.16 0.00 -0.12 0.00 0.00 64.86 65.47 1ufz h ILE 29 Cb 1.54 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 35.17 1ufz h ILE 29 CO -0.79 0.00 -0.27 0.44 -0.68 0.00 0.00 178.15 176.85 1ufz h ASP 30 N -0.71 -0.99 -0.44 1.72 3.32 -1.38 0.27 116.42 118.21 1ufz h ASP 30 Ca -0.06 0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.33 1ufz h ASP 30 Cb 0.46 0.59 -0.09 0.00 0.22 0.00 0.00 39.33 40.51 1ufz h ASP 30 CO 0.10 -0.29 -0.42 1.56 -1.72 0.00 0.00 179.24 178.47 1ufz h GLN 31 N -0.02 -0.29 -0.76 3.56 4.20 -0.05 0.58 115.11 122.34 1ufz h GLN 31 Ca 0.38 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.26 1ufz h GLN 31 Cb 0.62 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.33 1ufz h GLN 31 CO -0.89 -0.19 -0.26 0.00 -0.67 0.00 0.00 178.83 176.82 1ufz h ALA 32 N 0.50 0.33 -0.72 3.87 0.00 0.18 1.63 119.26 125.05 1ufz h ALA 32 Ca 0.15 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1ufz h ALA 32 Cb 0.58 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1ufz h ALA 32 CO -0.60 -0.50 0.28 0.00 0.00 0.00 0.00 179.25 178.43 1ufz h ARG 33 N -0.04 1.07 0.00 0.00 3.08 -0.32 0.15 114.38 118.32 1ufz h ARG 33 Ca 0.34 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1ufz h ARG 33 Cb 0.57 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ufz h ARG 33 CO -0.80 0.87 -0.34 1.25 -1.07 0.00 0.00 179.97 179.88 1ufz h LEU 34 N 1.04 0.00 0.00 3.04 7.12 0.58 -1.59 115.31 125.50 1ufz h LEU 34 Ca 0.24 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1ufz h LEU 34 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1ufz h LEU 34 CO -0.02 0.34 -0.40 -1.22 -0.13 0.00 0.00 178.44 177.01 1ufz n TYR 35 N -3.96 0.32 0.47 1.25 4.01 0.49 -2.31 117.16 117.43 1ufz n TYR 35 Ca -0.02 0.09 0.11 0.00 -0.16 0.00 0.00 57.90 57.93 1ufz n TYR 35 Cb 0.40 -0.53 0.03 0.00 -0.31 0.00 0.00 39.34 38.93 1ufz n TYR 35 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1ufz n SER 36 N -1.82 0.62 -0.08 7.72 7.64 0.41 -3.58 113.62 124.53 1ufz n SER 36 Ca 0.05 -0.07 -0.22 0.00 1.01 0.00 0.00 58.87 59.64 1ufz n SER 36 Cb 0.39 0.72 -0.12 0.00 -1.01 0.00 0.00 64.21 64.19 1ufz n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ufz n LEU 38 N -3.73 0.00 -0.31 0.00 0.00 -0.98 -2.01 117.00 109.97 1ufz n LEU 38 Ca -0.40 0.94 -0.06 0.00 0.00 0.00 0.00 56.01 56.49 1ufz n LEU 38 Cb 0.94 -0.44 -0.04 0.00 0.00 0.00 0.00 43.42 43.88 1ufz n LEU 38 CO 0.27 -0.44 0.39 -0.67 0.00 0.00 0.00 177.39 176.94 1ufz n ASP 39 N -2.08 -0.69 0.00 1.96 2.03 -1.23 0.21 116.55 116.75 1ufz n ASP 39 Ca 0.00 1.34 0.00 0.00 0.52 0.00 0.00 54.79 56.65 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 -5.01 0.00 -0.16 -0.67 -0.00 -1.08 0.16 115.22 108.46 1ufz n HIS 40 Ca 0.04 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.31 1ufz n HIS 40 Cb 0.23 -0.23 0.40 0.00 -0.12 0.00 0.00 29.99 30.27 1ufz n HIS 40 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1ufz h MET 41 N 0.00 0.62 0.00 1.57 2.86 -0.41 0.43 114.93 120.01 1ufz h MET 41 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ufz h MET 41 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1ufz h MET 41 CO 0.00 0.41 0.00 0.54 1.06 0.00 0.00 176.91 178.92 1ufz n ARG 42 N -4.49 0.07 -0.02 1.72 1.74 0.58 0.17 116.66 116.43 1ufz n ARG 42 Ca 0.11 0.25 -0.21 0.00 -0.77 0.00 0.00 57.85 57.23 1ufz n ARG 42 Cb 0.30 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.11 1ufz n ARG 42 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ufz h GLU 43 N 0.00 0.19 0.00 5.56 4.81 0.63 -3.04 114.58 122.73 1ufz h GLU 43 Ca 0.00 -0.32 -0.20 0.00 -0.13 0.00 0.00 59.36 58.71 1ufz h GLU 43 Cb 0.16 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1ufz h GLU 43 CO 0.00 1.15 -1.38 1.55 -0.73 0.00 0.00 179.01 179.61 1ufz n VAL 44 N -3.94 1.50 -0.03 0.32 3.14 -0.97 -4.36 118.33 113.99 1ufz n VAL 44 Ca -0.28 -0.03 -0.16 0.00 -2.96 0.00 0.00 64.34 60.91 1ufz n VAL 44 Cb 0.88 -2.14 -0.13 0.00 -1.06 0.00 0.00 33.84 31.40 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 -1.00 0.18 -1.55 6.55 3.38 0.15 -3.25 115.31 119.77 1ufz h LEU 45 Ca -0.30 -0.89 0.46 0.00 0.09 0.00 0.00 57.88 57.24 1ufz h LEU 45 Cb 1.14 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1ufz h LEU 45 CO -0.18 1.05 1.10 0.61 0.09 0.00 0.00 178.44 181.11 1ufz n GLY 46 N 1.37 -0.80 0.36 0.83 0.00 0.21 -0.01 105.19 107.16 1ufz n GLY 46 Ca -0.11 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.71 -0.63 -0.05 1.61 8.00 -1.23 -3.66 116.55 116.88 1ufz n ASP 47 Ca 0.36 1.62 -0.11 0.00 0.71 0.00 0.00 54.79 57.37 1ufz n ASP 47 Cb 1.60 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 42.31 1ufz n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ufz n ALA 48 N -3.49 2.13 -1.76 2.24 0.00 0.98 -5.01 120.51 115.59 1ufz n ALA 48 Ca 0.09 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 1ufz n ALA 48 Cb 0.36 0.27 0.02 0.00 0.00 0.00 0.00 19.45 20.11 1ufz n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ufz n VAL 49 N -3.69 2.95 -0.22 0.00 0.31 -0.36 -5.01 118.33 112.31 1ufz n VAL 49 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1ufz n VAL 49 Cb 0.53 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1ufz n VAL 49 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ufz n PRO 50 N -0.31 0.56 -0.09 5.55 -0.04 -1.26 -3.80 135.00 135.60 1ufz n PRO 50 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1ufz n PRO 50 Cb 0.42 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.83 1ufz n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ufz n ASP 51 N -0.89 1.85 -0.07 3.54 9.92 -1.26 -3.91 116.55 125.74 1ufz n ASP 51 Ca 0.00 0.51 -0.02 0.00 -0.53 0.00 0.00 54.79 54.76 1ufz n ASP 51 Cb 0.00 -0.87 -0.02 0.00 -0.64 0.00 0.00 41.12 39.59 1ufz n ASP 51 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ufz n ASP 52 N -4.52 -0.19 -0.28 -2.24 9.92 -1.26 0.20 116.55 118.18 1ufz n ASP 52 Ca -0.18 1.05 -0.07 0.00 -0.53 0.00 0.00 54.79 55.06 1ufz n ASP 52 Cb 0.46 -0.41 -0.07 0.00 -0.64 0.00 0.00 41.12 40.46 1ufz n ASP 52 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ufz n ILE 53 N -3.35 -0.46 -0.18 0.53 5.41 -1.26 0.13 119.36 120.19 1ufz n ILE 53 Ca 0.00 2.09 -0.02 0.00 1.00 0.00 0.00 62.75 65.83 1ufz n ILE 53 Cb 0.05 -2.63 0.06 0.00 -0.71 0.00 0.00 39.64 36.41 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 -0.41 0.13 1.39 3.38 -1.02 -0.16 115.31 118.61 1ufz h LEU 54 Ca 0.11 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ufz h LEU 54 Cb 0.28 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ufz h LEU 54 CO -0.63 -0.15 -0.13 0.74 0.09 0.00 0.00 178.44 178.36 1ufz h THR 55 N 0.04 0.00 -0.91 0.22 2.02 0.79 -2.74 112.91 112.32 1ufz h THR 55 Ca 0.27 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.60 1ufz h THR 55 Cb 0.42 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.68 1ufz h THR 55 CO -0.53 0.00 -0.33 -0.62 0.37 0.00 0.00 175.52 174.41 1ufz n GLU 56 N -3.07 -0.19 -0.32 6.66 -0.58 0.36 0.19 120.64 123.69 1ufz n GLU 56 Ca -0.03 1.40 0.12 0.00 -0.42 0.00 0.00 57.16 58.23 1ufz n GLU 56 Cb 0.12 -2.09 0.26 0.00 -0.57 0.00 0.00 31.44 29.16 1ufz n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ufz h ALA 57 N 1.38 1.07 -0.54 0.62 0.00 -0.78 1.88 119.26 122.89 1ufz h ALA 57 Ca 0.34 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 1ufz h ALA 57 Cb 0.57 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ufz h ALA 57 CO -0.91 -0.52 0.18 0.82 0.00 0.00 0.00 179.25 178.82 1ufz h ILE 58 N 0.04 1.23 0.00 0.00 2.04 0.23 -0.68 117.51 120.37 1ufz h ILE 58 Ca 0.55 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1ufz h ILE 58 Cb 1.10 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1ufz h ILE 58 CO -0.86 0.29 0.00 0.18 0.00 0.00 0.00 178.15 177.76 1ufz n LEU 59 N -4.47 0.53 0.07 1.44 7.99 0.49 0.05 117.00 123.11 1ufz n LEU 59 Ca 0.02 0.62 0.13 0.00 -0.01 0.00 0.00 56.01 56.77 1ufz n LEU 59 Cb 0.19 -0.53 0.31 0.00 -0.11 0.00 0.00 43.42 43.28 1ufz n LEU 59 CO 0.39 -0.45 0.63 1.17 -1.51 0.00 0.00 177.39 177.63 1ufz n LYS 60 N -2.08 0.25 -0.97 3.23 3.00 0.52 -3.65 118.16 118.46 1ufz n LYS 60 Ca 0.03 0.13 0.04 0.00 -0.00 0.00 0.00 58.31 58.51 1ufz n LYS 60 Cb 0.24 -1.72 0.07 0.00 0.00 0.00 0.00 35.03 33.62 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 -2.11 0.00 -3.77 5.64 8.25 -0.50 -5.02 115.22 117.71 1ufz n HIS 61 Ca 0.05 -0.65 -0.28 0.00 -0.26 0.00 0.00 57.72 56.57 1ufz n HIS 61 Cb 0.42 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.12 -1.04 -2.67 -0.41 0.00 0.15 -3.65 118.16 110.42 1ufz n LYS 62 Ca 0.08 0.45 -0.04 0.00 0.00 0.00 0.00 58.31 58.80 1ufz n LYS 62 Cb 0.91 -1.96 -0.03 0.00 0.00 0.00 0.00 35.03 33.95 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 -3.05 -4.09 -2.68 5.64 3.01 0.11 -5.00 117.46 111.40 1ufz n PHE 63 Ca -0.23 2.23 -0.05 0.00 1.01 0.00 0.00 57.45 60.42 1ufz n PHE 63 Cb 0.58 -3.76 0.09 0.00 -0.01 0.00 0.00 39.48 36.38 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 1.50 -1.47 -0.34 4.37 -0.08 -1.24 -5.04 116.55 114.26 1ufz n ASP 64 Ca -0.29 -2.07 -0.10 0.00 -1.51 0.00 0.00 54.79 50.82 1ufz n ASP 64 Cb 0.46 1.07 -0.08 0.00 2.34 0.00 0.00 41.12 44.92 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 1.22 0.01 -1.54 5.18 2.07 -1.92 1.63 116.25 122.90 1ufz h VAL 65 Ca -0.25 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.73 1ufz h VAL 65 Cb 1.19 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1ufz h VAL 65 CO -0.05 0.00 1.08 0.00 0.02 0.00 0.00 177.57 178.62 1ufz n GLN 66 N -5.32 -0.01 -0.10 1.57 1.13 -1.26 0.28 117.38 113.67 1ufz n GLN 66 Ca 0.02 0.96 -0.24 0.00 -1.94 0.00 0.00 57.00 55.80 1ufz n GLN 66 Cb 0.30 -2.12 -0.12 0.00 0.11 0.00 0.00 30.24 28.42 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 -3.85 0.61 -0.33 -1.09 3.00 0.50 -2.91 118.16 114.09 1ufz n LYS 67 Ca 0.37 0.38 0.02 0.00 -0.00 0.00 0.00 58.31 59.09 1ufz n LYS 67 Cb 1.61 -1.64 0.17 0.00 0.00 0.00 0.00 35.03 35.17 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 -0.50 1.29 -0.25 3.14 0.00 0.69 0.16 119.26 123.79 1ufz h ALA 68 Ca -0.50 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1ufz h ALA 68 Cb 1.59 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ufz h ALA 68 CO -0.22 0.30 -0.34 -0.07 0.00 0.00 0.00 179.25 178.93 1ufz h LEU 69 N 1.02 0.72 -1.98 0.00 3.38 0.38 1.73 115.31 120.56 1ufz h LEU 69 Ca 0.41 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ufz h LEU 69 Cb 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ufz h LEU 69 CO -0.20 1.09 0.13 0.28 0.09 0.00 0.00 178.44 179.83 1ufz h SER 70 N 0.38 0.02 0.01 -0.43 0.02 -1.12 0.86 113.55 113.30 1ufz h SER 70 Ca 0.03 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.68 1ufz h SER 70 Cb 0.92 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1ufz h SER 70 CO 0.08 0.01 -1.65 0.52 -1.14 0.00 0.00 176.83 174.66 1ufz n VAL 71 N -4.49 1.55 -0.32 2.27 0.31 0.45 -3.98 118.33 114.13 1ufz n VAL 71 Ca 0.01 -0.17 0.06 0.00 -0.01 0.00 0.00 64.34 64.23 1ufz n VAL 71 Cb 0.25 -1.97 0.21 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.90 0.85 -0.12 2.52 2.07 0.29 0.13 116.25 121.10 1ufz h VAL 72 Ca -0.44 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1ufz h VAL 72 Cb 1.45 -0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1ufz h VAL 72 CO -0.24 0.15 -0.43 -0.07 0.02 0.00 0.00 177.57 177.00 1ufz h LEU 73 N 0.81 -1.34 0.22 2.57 3.38 0.58 0.82 115.31 122.35 1ufz h LEU 73 Ca 0.45 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.59 1ufz h LEU 73 Cb 0.51 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ufz h LEU 73 CO -0.29 -0.43 -0.11 -0.33 0.09 0.00 0.00 178.44 177.37 1ufz h GLU 74 N -0.51 -0.29 -0.03 1.13 5.08 -1.42 -1.30 114.58 117.24 1ufz h GLU 74 Ca 0.07 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1ufz h GLU 74 Cb 0.63 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1ufz h GLU 74 CO -0.39 -0.19 -0.38 0.37 -1.00 0.00 0.00 179.01 177.42 1ufz h GLN 75 N -0.30 -0.43 -0.94 2.33 5.75 -0.16 -0.00 115.11 121.35 1ufz h GLN 75 Ca -0.03 0.03 0.26 0.00 -0.15 0.00 0.00 58.65 58.76 1ufz h GLN 75 Cb 0.23 0.10 -0.14 0.00 1.07 0.00 0.00 27.48 28.74 1ufz h GLN 75 CO 0.05 -0.29 0.44 0.22 -2.65 0.00 0.00 178.83 176.60 1ufz h ASP 76 N -0.45 0.35 -1.31 -0.69 3.58 0.69 1.00 116.42 119.58 1ufz h ASP 76 Ca 0.01 0.18 0.38 0.00 0.42 0.00 0.00 57.03 58.02 1ufz h ASP 76 Cb 0.49 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1ufz h ASP 76 CO -0.27 -0.08 0.98 1.23 -2.88 0.00 0.00 179.24 178.23 1ufz h GLY 77 N 0.35 0.00 1.04 -0.78 0.00 0.23 1.00 103.07 104.90 1ufz h GLY 77 Ca 0.63 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.98 1ufz h GLY 77 CO -0.58 0.00 0.63 0.23 0.00 0.00 0.00 176.54 176.81 1ufz h SER 78 N 0.00 1.07 -0.02 0.19 0.87 0.12 -3.12 113.55 112.67 1ufz h SER 78 Ca 0.62 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1ufz h SER 78 Cb 2.58 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 64.27 1ufz h SER 78 CO -0.01 0.77 -0.05 1.23 -0.53 0.00 0.00 176.83 178.24 1ufz h GLY 79 N 1.26 -1.61 -6.33 5.77 0.00 0.93 -3.03 103.07 100.07 1ufz h GLY 79 Ca 0.36 0.72 -0.67 0.00 0.00 0.00 0.00 47.33 47.73 1ufz h GLY 79 CO -0.09 -0.59 2.64 -1.55 0.00 0.00 0.00 176.54 176.95 1ufz n PRO 80 N -2.89 2.16 -1.45 4.80 -0.04 -1.18 -4.84 135.00 131.57 1ufz n PRO 80 Ca -0.01 -2.24 0.18 0.00 -0.04 0.00 0.00 63.50 61.39 1ufz n PRO 80 Cb 0.04 -3.12 -0.07 0.00 -0.04 0.00 0.00 33.50 30.30 1ufz n PRO 80 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ufz n SER 81 N 7.07 -8.52 -0.06 3.54 3.41 -1.14 -4.77 113.62 113.15 1ufz n SER 81 Ca 0.51 1.07 -0.02 0.00 -0.26 0.00 0.00 58.87 60.17 1ufz n SER 81 Cb 0.40 -4.72 -0.01 0.00 -0.26 0.00 0.00 64.21 59.63 1ufz n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ufz h SER 82 N -1.41 0.00 0.00 4.04 0.87 -1.78 -3.36 113.55 111.90 1ufz h SER 82 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1ufz h SER 82 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1ufz h SER 82 CO 0.05 0.60 0.00 0.61 -0.53 0.00 0.00 176.83 177.56