#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 6.47 0.81 1.61 1.04 -1.26 -5.04 113.70 117.32 1ufz s SER 2 Ca 0.00 0.56 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 1ufz s SER 2 Cb 0.00 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.84 1ufz s SER 2 CO 0.00 -0.18 0.47 -1.20 0.98 0.00 0.00 173.24 173.31 1ufz n SER 3 N 4.92 -1.57 -4.31 7.02 7.64 -1.26 -5.02 113.62 121.05 1ufz n SER 3 Ca -0.06 0.49 -0.16 0.00 1.01 0.00 0.00 58.87 60.15 1ufz n SER 3 Cb 0.50 -1.21 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 1ufz n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ufz s GLY 4 N -1.65 1.41 -0.23 0.23 0.00 -1.26 -5.16 107.32 100.66 1ufz s GLY 4 Ca 0.62 -1.68 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 1ufz s GLY 4 CO 0.62 -1.65 0.62 -0.45 0.00 0.00 0.00 173.10 172.24 1ufz s SER 5 N -3.27 -0.66 0.19 1.64 0.15 -1.26 -5.07 113.70 105.42 1ufz s SER 5 Ca 0.25 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1ufz s SER 5 Cb 0.05 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1ufz s SER 5 CO 0.06 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.09 1ufz n SER 6 N 2.92 0.20 -0.39 5.45 7.64 -1.26 -5.13 113.62 123.06 1ufz n SER 6 Ca -0.15 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1ufz n SER 6 Cb 0.56 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 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 2.16 -0.18 0.01 0.23 0.00 -1.26 -4.97 105.19 101.19 1ufz n GLY 7 Ca 0.00 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1ufz n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ufz n GLU 8 N -0.07 0.03 -0.10 1.61 0.28 -1.26 -3.26 120.64 117.87 1ufz n GLU 8 Ca 0.00 0.09 -0.13 0.00 -0.16 0.00 0.00 57.16 56.97 1ufz n GLU 8 Cb 0.00 -1.54 -0.04 0.00 1.43 0.00 0.00 31.44 31.29 1ufz n GLU 8 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1ufz h TYR 9 N 0.00 0.81 0.13 -1.84 5.03 -2.01 -3.20 116.97 115.90 1ufz h TYR 9 Ca 0.00 -0.23 0.01 0.00 2.58 0.00 0.00 58.73 61.09 1ufz h TYR 9 Cb 0.46 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.51 1ufz h TYR 9 CO 0.00 0.95 -0.53 0.78 -1.32 0.00 0.00 178.16 178.05 1ufz h GLY 10 N 0.44 -1.15 -0.75 1.82 0.00 -1.93 -1.99 103.07 99.51 1ufz h GLY 10 Ca 0.06 0.64 0.17 0.00 0.00 0.00 0.00 47.33 48.20 1ufz h GLY 10 CO 0.06 -0.27 -0.23 -0.97 0.00 0.00 0.00 176.54 175.13 1ufz h TYR 11 N -0.76 -0.50 -0.07 5.60 0.05 -1.73 0.16 116.97 119.72 1ufz h TYR 11 Ca -0.01 0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.88 1ufz h TYR 11 Cb 0.77 0.36 -0.06 0.00 1.01 0.00 0.00 36.73 38.80 1ufz h TYR 11 CO -0.45 -0.38 -0.52 0.93 -1.05 0.00 0.00 178.16 176.70 1ufz h GLU 12 N -0.00 -0.57 -0.88 4.88 5.08 -1.37 -0.15 114.58 121.56 1ufz h GLU 12 Ca 0.41 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.95 1ufz h GLU 12 Cb 0.63 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 29.86 1ufz h GLU 12 CO -0.90 -0.38 -0.36 -0.44 -1.00 0.00 0.00 179.01 175.93 1ufz h ASP 13 N -0.60 -1.32 -0.45 1.42 5.19 -0.50 0.70 116.42 120.86 1ufz h ASP 13 Ca 0.02 0.29 0.09 0.00 -0.62 0.00 0.00 57.03 56.81 1ufz h ASP 13 Cb 0.67 0.70 -0.09 0.00 0.18 0.00 0.00 39.33 40.78 1ufz h ASP 13 CO -0.38 -0.29 -0.14 -0.07 -3.12 0.00 0.00 179.24 175.23 1ufz h LEU 14 N -0.05 -0.50 -0.25 1.55 3.38 -0.59 -3.47 115.31 115.38 1ufz h LEU 14 Ca 0.32 0.14 0.30 0.00 0.09 0.00 0.00 57.88 58.73 1ufz h LEU 14 Cb 0.59 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 1ufz h LEU 14 CO -0.90 -0.18 -0.50 0.54 0.09 0.00 0.00 178.44 177.49 1ufz n ARG 15 N -5.35 -2.30 -1.40 1.13 1.74 0.24 -4.78 116.66 105.94 1ufz n ARG 15 Ca 0.03 1.59 -0.49 0.00 -0.77 0.00 0.00 57.85 58.22 1ufz n ARG 15 Cb 0.26 -2.78 -0.03 0.00 -1.02 0.00 0.00 32.46 28.88 1ufz n ARG 15 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ufz n GLU 16 N -3.63 0.00 -3.56 5.56 0.00 -1.26 -4.96 120.64 112.79 1ufz n GLU 16 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.07 1ufz n GLU 16 Cb 0.51 -1.03 -0.04 0.00 0.00 0.00 0.00 31.44 30.89 1ufz n GLU 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ufz s SER 17 N -0.94 -0.32 0.64 4.31 0.15 -1.26 -4.99 113.70 111.29 1ufz s SER 17 Ca 0.66 0.19 0.28 0.00 0.70 0.00 0.00 55.95 57.78 1ufz s SER 17 Cb -0.95 0.29 1.50 0.00 -1.71 0.00 0.00 66.02 65.16 1ufz s SER 17 CO 0.56 -0.40 1.87 0.77 1.20 0.00 0.00 173.24 177.23 1ufz h SER 18 N 2.26 0.00 -1.26 5.45 4.64 -1.97 -1.44 113.55 121.23 1ufz h SER 18 Ca -0.18 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 1ufz h SER 18 Cb 1.19 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.33 1ufz h SER 18 CO 0.29 0.00 -0.04 0.59 -0.87 0.00 0.00 176.83 176.80 1ufz n ASN 19 N -3.11 -2.17 0.30 4.97 3.02 -1.26 -4.55 115.26 112.45 1ufz n ASN 19 Ca 0.01 -0.19 0.18 0.00 -0.03 0.00 0.00 54.58 54.55 1ufz n ASN 19 Cb 0.50 -0.25 0.92 0.00 -0.61 0.00 0.00 39.78 40.34 1ufz n ASN 19 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1ufz h SER 20 N -2.21 0.00 -0.56 6.41 0.87 -2.01 -0.94 113.55 115.11 1ufz h SER 20 Ca -0.09 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1ufz h SER 20 Cb 0.29 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.16 1ufz h SER 20 CO 0.05 0.00 0.06 -0.07 -0.53 0.00 0.00 176.83 176.34 1ufz h LEU 21 N 0.00 -0.12 -0.38 2.23 3.38 -1.85 -1.95 115.31 116.61 1ufz h LEU 21 Ca 0.03 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1ufz h LEU 21 Cb 0.49 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1ufz h LEU 21 CO -0.00 -0.04 -0.36 0.25 0.09 0.00 0.00 178.44 178.37 1ufz h LEU 22 N 0.18 -1.26 -0.93 1.67 7.12 -0.02 0.10 115.31 122.17 1ufz h LEU 22 Ca 0.29 0.17 0.11 0.00 0.13 0.00 0.00 57.88 58.59 1ufz h LEU 22 Cb 0.44 0.53 -0.13 0.00 -0.53 0.00 0.00 40.66 40.97 1ufz h LEU 22 CO -0.43 -0.22 -0.50 -1.13 -0.13 0.00 0.00 178.44 176.03 1ufz h ASN 23 N -0.17 -1.83 -1.00 1.25 -1.24 -1.53 1.06 115.58 112.12 1ufz h ASN 23 Ca 0.06 0.31 0.29 0.00 0.71 0.00 0.00 56.30 57.68 1ufz h ASN 23 Cb 0.34 0.85 -0.19 0.00 0.73 0.00 0.00 38.32 40.06 1ufz h ASN 23 CO -0.45 -0.27 0.09 -0.74 -1.29 0.00 0.00 177.43 174.77 1ufz h HIS 24 N -0.04 0.06 -0.36 0.67 2.76 -0.63 0.96 115.15 118.57 1ufz h HIS 24 Ca 0.23 0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.54 1ufz h HIS 24 Cb 0.50 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.52 1ufz h HIS 24 CO -0.93 -0.45 -0.17 0.37 -1.30 0.00 0.00 177.93 175.45 1ufz h GLN 25 N 0.00 -0.11 -2.15 5.26 4.15 0.20 -3.47 115.11 118.99 1ufz h GLN 25 Ca 0.64 0.01 0.24 0.00 0.77 0.00 0.00 58.65 60.31 1ufz h GLN 25 Cb 1.38 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 29.03 1ufz h GLN 25 CO -0.92 -0.07 -0.39 1.28 -1.93 0.00 0.00 178.83 176.80 1ufz n LEU 26 N -5.35 -0.47 -4.92 -2.39 4.77 0.33 -4.81 117.00 104.15 1ufz n LEU 26 Ca 0.01 1.06 -0.26 0.00 -0.03 0.00 0.00 56.01 56.79 1ufz n LEU 26 Cb 0.26 -3.10 0.01 0.00 -2.33 0.00 0.00 43.42 38.26 1ufz n LEU 26 CO 0.14 -2.33 0.39 -0.44 -1.33 0.00 0.00 177.39 173.82 1ufz s SER 27 N -5.07 6.07 0.06 -1.43 0.01 -1.26 -4.88 113.70 107.19 1ufz s SER 27 Ca 0.00 0.71 -0.23 0.00 1.31 0.00 0.00 55.95 57.74 1ufz s SER 27 Cb 0.00 -2.00 -0.10 0.00 0.21 0.00 0.00 66.02 64.13 1ufz s SER 27 CO 0.00 -0.65 1.36 -0.08 0.41 0.00 0.00 173.24 174.28 1ufz h GLU 28 N 0.25 -0.56 0.11 12.44 4.57 -1.99 0.41 114.58 129.81 1ufz h GLU 28 Ca -0.47 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 57.77 1ufz h GLU 28 Cb 1.22 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.90 1ufz h GLU 28 CO 0.61 -0.37 -0.37 0.82 -1.18 0.00 0.00 179.01 178.52 1ufz h ILE 29 N -0.58 0.24 -0.71 2.32 2.04 -2.00 -1.78 117.51 117.04 1ufz h ILE 29 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1ufz h ILE 29 Cb 0.53 0.24 -0.10 0.00 -0.74 0.00 0.00 36.82 36.75 1ufz h ILE 29 CO -0.10 0.00 -0.57 0.44 0.00 0.00 0.00 178.15 177.92 1ufz h ASP 30 N -0.59 -2.00 -0.74 1.72 5.19 -1.91 0.27 116.42 118.35 1ufz h ASP 30 Ca 0.03 0.29 0.09 0.00 -0.62 0.00 0.00 57.03 56.81 1ufz h ASP 30 Cb 0.63 0.86 -0.11 0.00 0.18 0.00 0.00 39.33 40.88 1ufz h ASP 30 CO -0.22 -0.31 -0.52 1.56 -3.12 0.00 0.00 179.24 176.63 1ufz h GLN 31 N -0.19 -0.16 -1.16 3.56 4.20 0.31 1.08 115.11 122.75 1ufz h GLN 31 Ca 0.12 0.01 0.43 0.00 0.06 0.00 0.00 58.65 59.27 1ufz h GLN 31 Cb 0.49 0.04 -0.16 0.00 0.30 0.00 0.00 27.48 28.15 1ufz h GLN 31 CO -0.77 -0.10 0.69 0.00 -0.67 0.00 0.00 178.83 177.98 1ufz h ALA 32 N 0.48 2.43 -0.04 3.87 0.00 -0.10 1.23 119.26 127.14 1ufz h ALA 32 Ca 0.16 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1ufz h ALA 32 Cb 0.52 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ufz h ALA 32 CO -0.79 -1.16 -0.11 0.00 0.00 0.00 0.00 179.25 177.18 1ufz h ARG 33 N 0.03 0.14 0.01 0.00 2.47 0.17 -0.96 114.38 116.24 1ufz h ARG 33 Ca 0.85 -0.10 0.03 0.00 -1.26 0.00 0.00 59.98 59.50 1ufz h ARG 33 Cb 2.44 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 30.73 1ufz h ARG 33 CO -0.63 0.72 -0.35 1.25 0.56 0.00 0.00 179.97 181.53 1ufz h LEU 34 N -0.42 -1.05 -0.51 3.04 5.85 0.33 0.24 115.31 122.78 1ufz h LEU 34 Ca -0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1ufz h LEU 34 Cb 0.73 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1ufz h LEU 34 CO 0.02 -0.41 0.29 1.88 -0.34 0.00 0.00 178.44 179.88 1ufz h TYR 35 N -0.51 0.54 0.00 1.25 0.05 -0.62 1.59 116.97 119.27 1ufz h TYR 35 Ca 0.06 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1ufz h TYR 35 Cb 0.59 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 1ufz h TYR 35 CO -0.36 0.29 -0.00 1.03 -1.05 0.00 0.00 178.16 178.07 1ufz h SER 36 N 0.57 0.00 0.00 3.88 0.87 -0.36 0.22 113.55 118.73 1ufz h SER 36 Ca 0.21 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.63 1ufz h SER 36 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1ufz h SER 36 CO -0.11 0.00 -1.19 0.00 -0.53 0.00 0.00 176.83 175.00 1ufz h LEU 38 N -1.00 -0.42 -0.64 0.00 6.46 0.25 -0.05 115.31 119.90 1ufz h LEU 38 Ca -0.22 0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.81 1ufz h LEU 38 Cb 1.02 0.36 -0.09 0.00 -0.73 0.00 0.00 40.66 41.22 1ufz h LEU 38 CO -0.13 -0.19 -0.54 -0.78 -0.62 0.00 0.00 178.44 176.18 1ufz h ASP 39 N 0.08 -1.90 0.00 1.25 1.82 -0.78 2.46 116.42 119.35 1ufz h ASP 39 Ca 0.39 0.27 0.00 0.00 -0.39 0.00 0.00 57.03 57.30 1ufz h ASP 39 Cb 0.66 0.81 0.00 0.00 0.68 0.00 0.00 39.33 41.48 1ufz h ASP 39 CO -0.67 -0.31 0.00 1.57 -1.61 0.00 0.00 179.24 178.22 1ufz n HIS 40 N -5.19 0.00 0.24 0.28 -0.00 -0.06 0.97 115.22 111.48 1ufz n HIS 40 Ca -0.01 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.29 1ufz n HIS 40 Cb 0.29 -0.20 0.62 0.00 -0.12 0.00 0.00 29.99 30.58 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 0.00 0.00 1.57 2.86 -1.20 1.51 114.93 119.67 1ufz h MET 41 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ufz h MET 41 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1ufz h MET 41 CO 0.00 0.00 -0.37 -2.13 1.06 0.00 0.00 176.91 175.47 1ufz n ARG 42 N -2.47 0.09 -0.04 1.72 0.63 0.82 0.42 116.66 117.83 1ufz n ARG 42 Ca -0.02 0.04 -0.14 0.00 -0.92 0.00 0.00 57.85 56.82 1ufz n ARG 42 Cb 0.30 -1.57 -0.14 0.00 0.45 0.00 0.00 32.46 31.50 1ufz n ARG 42 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1ufz n GLU 43 N -1.71 0.68 -0.09 -0.14 2.13 0.51 -2.84 120.64 119.19 1ufz n GLU 43 Ca 0.05 0.23 -0.14 0.00 0.66 0.00 0.00 57.16 57.96 1ufz n GLU 43 Cb 0.37 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.32 1ufz n GLU 43 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1ufz n VAL 44 N -3.16 1.48 -0.09 6.31 3.14 -0.98 -4.35 118.33 120.68 1ufz n VAL 44 Ca -0.27 0.05 -0.18 0.00 -2.96 0.00 0.00 64.34 60.98 1ufz n VAL 44 Cb 1.06 -2.21 -0.12 0.00 -1.06 0.00 0.00 33.84 31.51 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 0.00 -1.61 6.55 3.38 -1.18 -3.33 115.31 118.12 1ufz h LEU 45 Ca -0.20 -0.72 0.48 0.00 0.09 0.00 0.00 57.88 57.52 1ufz h LEU 45 Cb 0.99 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1ufz h LEU 45 CO -0.12 1.24 1.15 0.61 0.09 0.00 0.00 178.44 181.41 1ufz n GLY 46 N 1.52 -0.82 0.39 0.83 0.00 0.17 -0.08 105.19 107.20 1ufz n GLY 46 Ca -0.21 0.59 -0.08 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 -3.70 -0.91 -0.06 1.61 9.92 -1.18 -3.43 116.55 118.80 1ufz n ASP 47 Ca 0.37 1.69 -0.08 0.00 -0.53 0.00 0.00 54.79 56.24 1ufz n ASP 47 Cb 1.66 -0.26 -0.06 0.00 -0.64 0.00 0.00 41.12 41.82 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 -3.34 1.73 -1.77 2.24 0.00 0.64 -5.00 120.51 115.02 1ufz n ALA 48 Ca 0.04 -0.55 -0.38 0.00 0.00 0.00 0.00 53.44 52.55 1ufz n ALA 48 Cb 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 2.98 0.00 0.00 1.01 0.88 -5.03 120.40 117.99 1ufz s VAL 49 Ca -0.16 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1ufz s VAL 49 Cb 0.04 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1ufz s VAL 49 CO 0.30 0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.65 1ufz n PRO 50 N -0.08 0.10 -0.11 2.72 -0.04 -1.26 -3.82 135.00 132.50 1ufz n PRO 50 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 1ufz n PRO 50 Cb 0.46 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.81 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 -1.79 1.89 -0.11 3.54 9.92 -1.26 -4.07 116.55 124.67 1ufz n ASP 51 Ca 0.00 0.40 -0.03 0.00 -0.53 0.00 0.00 54.79 54.63 1ufz n ASP 51 Cb 0.00 -0.93 -0.03 0.00 -0.64 0.00 0.00 41.12 39.53 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 -4.37 -0.27 -0.38 -2.24 8.00 -1.26 0.21 116.55 116.23 1ufz n ASP 52 Ca -0.38 1.16 -0.07 0.00 0.71 0.00 0.00 54.79 56.21 1ufz n ASP 52 Cb 0.74 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 1ufz n ASP 52 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ufz n ILE 53 N -3.56 -0.58 0.18 0.53 5.41 -1.26 0.14 119.36 120.21 1ufz n ILE 53 Ca 0.01 2.25 -0.14 0.00 1.00 0.00 0.00 62.75 65.86 1ufz n ILE 53 Cb 0.07 -2.85 -0.07 0.00 -0.71 0.00 0.00 39.64 36.08 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 -0.83 -0.30 1.39 3.38 -0.69 -0.70 115.31 117.56 1ufz h LEU 54 Ca 0.22 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.33 1ufz h LEU 54 Cb 0.46 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1ufz h LEU 54 CO -0.90 -0.42 -0.45 0.74 0.09 0.00 0.00 178.44 177.49 1ufz h THR 55 N -0.61 0.10 -0.43 0.22 2.02 0.66 -1.00 112.91 113.87 1ufz h THR 55 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1ufz h THR 55 Cb 0.57 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 1ufz h THR 55 CO -0.09 0.00 -0.35 -0.33 0.37 0.00 0.00 175.52 175.12 1ufz h GLU 56 N -0.41 -0.25 -0.71 6.66 5.08 0.15 0.78 114.58 125.88 1ufz h GLU 56 Ca 0.10 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 1ufz h GLU 56 Cb 0.61 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 1ufz h GLU 56 CO -0.51 -0.17 -0.23 0.00 -1.00 0.00 0.00 179.01 177.10 1ufz h ALA 57 N 0.71 0.35 0.32 3.43 0.00 -0.02 1.69 119.26 125.74 1ufz h ALA 57 Ca 0.17 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ufz h ALA 57 Cb 0.55 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1ufz h ALA 57 CO -0.57 -0.48 -0.52 0.82 0.00 0.00 0.00 179.25 178.50 1ufz h ILE 58 N -0.04 0.00 0.00 0.00 2.04 0.32 0.34 117.51 120.17 1ufz h ILE 58 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.19 1ufz h ILE 58 Cb 0.54 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ufz h ILE 58 CO -0.75 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.58 1ufz n LEU 59 N -5.51 0.53 0.22 1.44 7.99 -0.09 -0.08 117.00 121.50 1ufz n LEU 59 Ca -0.10 0.72 0.11 0.00 -0.01 0.00 0.00 56.01 56.72 1ufz n LEU 59 Cb 0.44 -0.75 0.36 0.00 -0.11 0.00 0.00 43.42 43.36 1ufz n LEU 59 CO 0.21 -0.83 0.79 0.50 -1.51 0.00 0.00 177.39 176.55 1ufz h LYS 60 N 0.00 0.00 -0.14 3.23 1.63 0.65 -3.21 116.57 118.72 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 0.08 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 31.39 1ufz h LYS 60 CO 0.00 0.16 -0.94 0.72 -3.45 0.00 0.00 179.45 175.95 1ufz n HIS 61 N -3.22 0.47 -3.82 1.91 8.25 0.89 -5.01 115.22 114.68 1ufz n HIS 61 Ca 0.02 -1.16 -0.28 0.00 -0.26 0.00 0.00 57.72 56.04 1ufz n HIS 61 Cb 0.48 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.13 -1.32 -2.83 -0.41 4.76 -0.02 -3.49 118.16 114.71 1ufz n LYS 62 Ca 0.12 0.62 -0.01 0.00 -2.87 0.00 0.00 58.31 56.16 1ufz n LYS 62 Cb 0.98 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.96 -3.21 -2.89 2.13 3.01 0.19 -4.98 117.46 108.76 1ufz n PHE 63 Ca -0.29 1.41 -0.02 0.00 1.01 0.00 0.00 57.45 59.56 1ufz n PHE 63 Cb 0.66 -3.42 0.01 0.00 -0.01 0.00 0.00 39.48 36.72 1ufz n PHE 63 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ufz s ASP 64 N -1.58 -1.29 0.10 4.37 1.01 -1.23 -5.03 116.67 113.02 1ufz s ASP 64 Ca 0.02 -1.21 -0.29 0.00 0.71 0.00 0.00 52.55 51.78 1ufz s ASP 64 Cb -0.01 1.67 -0.13 0.00 1.01 0.00 0.00 42.92 45.47 1ufz s ASP 64 CO 0.64 -0.08 1.63 0.58 0.21 0.00 0.00 175.17 178.15 1ufz h VAL 65 N 4.65 0.40 -1.41 -1.27 2.07 -1.93 1.39 116.25 120.15 1ufz h VAL 65 Ca 0.04 0.00 0.46 0.00 0.82 0.00 0.00 66.70 68.03 1ufz h VAL 65 Cb 1.14 0.40 -0.11 0.00 -1.52 0.00 0.00 31.29 31.20 1ufz h VAL 65 CO 0.02 0.00 0.94 0.00 0.02 0.00 0.00 177.57 178.55 1ufz n GLN 66 N -5.41 -0.02 -0.10 1.57 6.02 -1.26 0.24 117.38 118.42 1ufz n GLN 66 Ca -0.09 1.10 -0.17 0.00 -0.01 0.00 0.00 57.00 57.84 1ufz n GLN 66 Cb 0.31 -2.26 -0.07 0.00 1.02 0.00 0.00 30.24 29.24 1ufz n GLN 66 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ufz n LYS 67 N -4.32 0.53 -0.35 -1.09 3.00 -0.45 -3.24 118.16 112.25 1ufz n LYS 67 Ca 0.38 0.43 0.30 0.00 -0.00 0.00 0.00 58.31 59.42 1ufz n LYS 67 Cb 1.55 -1.62 0.63 0.00 0.00 0.00 0.00 35.03 35.58 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 -0.83 2.68 -0.06 3.14 0.00 0.47 0.71 119.26 125.36 1ufz h ALA 68 Ca -0.27 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1ufz h ALA 68 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ufz h ALA 68 CO -0.16 -1.09 -0.30 -0.07 0.00 0.00 0.00 179.25 177.62 1ufz h LEU 69 N 0.19 0.36 -2.07 0.00 3.38 0.29 1.44 115.31 118.90 1ufz h LEU 69 Ca 0.62 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ufz h LEU 69 Cb 2.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1ufz h LEU 69 CO -0.20 0.96 0.15 -1.28 0.09 0.00 0.00 178.44 178.17 1ufz h SER 70 N -0.22 0.00 0.04 -0.43 0.87 0.28 1.03 113.55 115.12 1ufz h SER 70 Ca -0.02 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.22 1ufz h SER 70 Cb 0.96 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 1ufz h SER 70 CO 0.06 0.00 -1.78 0.52 -0.53 0.00 0.00 176.83 175.10 1ufz n VAL 71 N -4.31 1.61 -0.13 2.23 0.31 0.64 -3.87 118.33 114.80 1ufz n VAL 71 Ca 0.02 -0.32 -0.05 0.00 -0.01 0.00 0.00 64.34 63.97 1ufz n VAL 71 Cb 0.29 -1.87 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 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 -0.58 0.93 -0.10 2.52 2.07 0.25 0.27 116.25 121.62 1ufz h VAL 72 Ca -0.44 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1ufz h VAL 72 Cb 1.63 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1ufz h VAL 72 CO -0.14 0.07 -0.26 -0.07 0.02 0.00 0.00 177.57 177.19 1ufz h LEU 73 N 0.39 -0.84 0.09 2.57 3.38 0.91 1.39 115.31 123.20 1ufz h LEU 73 Ca 0.19 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1ufz h LEU 73 Cb 0.13 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1ufz h LEU 73 CO -0.15 -0.22 -0.33 -0.33 0.09 0.00 0.00 178.44 177.49 1ufz h GLU 74 N -0.25 -0.52 -0.27 1.13 5.08 -1.61 0.23 114.58 118.36 1ufz h GLU 74 Ca 0.02 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1ufz h GLU 74 Cb 0.31 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1ufz h GLU 74 CO -0.23 -0.35 -0.52 0.37 -1.00 0.00 0.00 179.01 177.28 1ufz h GLN 75 N -0.54 -0.45 -0.78 2.33 4.15 0.02 0.11 115.11 119.94 1ufz h GLN 75 Ca 0.04 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.66 1ufz h GLN 75 Cb 0.59 0.10 -0.11 0.00 0.21 0.00 0.00 27.48 28.26 1ufz h GLN 75 CO -0.21 -0.30 0.23 0.22 -1.93 0.00 0.00 178.83 176.83 1ufz h ASP 76 N -0.47 0.08 -0.32 -0.69 3.58 0.22 1.06 116.42 119.88 1ufz h ASP 76 Ca 0.07 0.15 0.09 0.00 0.42 0.00 0.00 57.03 57.76 1ufz h ASP 76 Cb 0.63 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1ufz h ASP 76 CO -0.51 -0.03 0.42 1.23 -2.88 0.00 0.00 179.24 177.47 1ufz h GLY 77 N 0.30 0.00 0.68 -0.78 0.00 0.13 0.98 103.07 104.38 1ufz h GLY 77 Ca 0.45 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.85 1ufz h GLY 77 CO -0.52 0.00 0.46 0.23 0.00 0.00 0.00 176.54 176.71 1ufz h SER 78 N 0.00 0.70 0.00 0.19 0.87 0.18 -3.09 113.55 112.41 1ufz h SER 78 Ca 0.15 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1ufz h SER 78 Cb 0.99 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1ufz h SER 78 CO -0.00 0.45 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 1ufz n GLY 79 N -1.31 -2.81 3.63 5.77 0.00 0.34 -4.33 105.19 106.49 1ufz n GLY 79 Ca 0.11 0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.83 3.91 -0.29 1.61 0.04 -1.17 -4.95 135.00 131.32 1ufz s PRO 80 Ca 0.00 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 1ufz s PRO 80 Cb 0.00 -3.90 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 1ufz s PRO 80 CO 0.00 -1.14 1.93 -1.54 0.04 0.00 0.00 177.00 176.29 1ufz s SER 81 N 2.97 5.76 0.02 6.66 1.04 -1.26 -4.88 113.70 124.03 1ufz s SER 81 Ca 0.58 1.50 0.04 0.00 0.48 0.00 0.00 55.95 58.56 1ufz s SER 81 Cb -0.18 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 1ufz s SER 81 CO 0.24 -1.78 -0.12 -0.94 0.98 0.00 0.00 173.24 171.62 1ufz s SER 82 N 6.75 1.46 0.00 7.02 1.04 -1.26 -5.18 113.70 123.53 1ufz s SER 82 Ca 0.86 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1ufz s SER 82 Cb -0.26 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1ufz s SER 82 CO 0.34 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.22