#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 -6.80 0.17 1.61 2.88 -1.26 -5.06 113.62 105.16 1ufz n SER 2 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1ufz n SER 2 Cb 0.00 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 59.68 1ufz n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ufz n SER 3 N 1.28 -2.13 0.00 -3.46 2.88 -1.26 -5.09 113.62 105.84 1ufz n SER 3 Ca 0.00 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1ufz n SER 3 Cb 0.00 2.11 0.00 0.00 -0.75 0.00 0.00 64.21 65.57 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 -0.11 1.92 1.06 0.46 0.00 -1.26 -4.91 105.19 102.36 1ufz n GLY 4 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 4.43 -5.73 -1.04 1.61 2.88 -1.26 -5.03 113.62 109.48 1ufz n SER 5 Ca 0.00 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1ufz n SER 5 Cb 0.00 -3.13 0.00 0.00 -0.75 0.00 0.00 64.21 60.33 1ufz n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ufz n SER 6 N -2.29 -5.72 0.00 -3.46 7.64 -1.26 -5.10 113.62 103.43 1ufz n SER 6 Ca -0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1ufz n SER 6 Cb 0.33 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.59 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 -1.79 2.57 0.08 0.23 0.00 -1.26 -4.95 105.19 100.07 1ufz n GLY 7 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1ufz n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ufz n GLU 8 N 0.00 0.49 -0.08 1.61 4.71 -1.26 -4.37 120.64 121.74 1ufz n GLU 8 Ca 0.00 0.38 -0.16 0.00 -0.01 0.00 0.00 57.16 57.37 1ufz n GLU 8 Cb 0.00 -1.57 -0.11 0.00 -1.01 0.00 0.00 31.44 28.75 1ufz n GLU 8 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1ufz h TYR 9 N -1.00 0.00 -0.95 -0.32 -1.99 -2.01 -3.38 116.97 107.32 1ufz h TYR 9 Ca -0.02 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.81 1ufz h TYR 9 Cb 0.77 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.37 1ufz h TYR 9 CO -0.31 1.08 -0.51 0.41 -0.00 0.00 0.00 178.16 178.83 1ufz n GLY 10 N 1.55 -2.34 0.38 3.88 0.00 -1.26 -0.33 105.19 107.06 1ufz n GLY 10 Ca -0.18 1.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.90 1ufz n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ufz n TYR 11 N -5.24 -0.17 -0.19 1.61 4.19 -1.26 0.58 117.16 116.68 1ufz n TYR 11 Ca 0.04 1.18 -0.10 0.00 3.31 0.00 0.00 57.90 62.33 1ufz n TYR 11 Cb 0.28 -0.73 -0.05 0.00 0.49 0.00 0.00 39.34 39.33 1ufz n TYR 11 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1ufz h GLU 12 N 0.00 -0.26 0.11 2.98 5.08 -0.85 0.26 114.58 121.90 1ufz h GLU 12 Ca 0.25 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1ufz h GLU 12 Cb 0.49 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1ufz h GLU 12 CO -0.93 -0.17 -0.14 -0.44 -1.00 0.00 0.00 179.01 176.33 1ufz h ASP 13 N -0.27 -0.37 -0.92 1.42 5.19 -0.30 -1.85 116.42 119.33 1ufz h ASP 13 Ca 0.15 0.04 0.26 0.00 -0.62 0.00 0.00 57.03 56.86 1ufz h ASP 13 Cb 0.57 0.14 -0.16 0.00 0.18 0.00 0.00 39.33 40.06 1ufz h ASP 13 CO -0.66 -0.21 0.18 -0.07 -3.12 0.00 0.00 179.24 175.37 1ufz h LEU 14 N -0.29 -0.14 -0.64 1.55 4.07 0.17 -3.47 115.31 116.56 1ufz h LEU 14 Ca 0.01 0.23 0.32 0.00 0.08 0.00 0.00 57.88 58.52 1ufz h LEU 14 Cb 0.29 0.34 -0.18 0.00 1.08 0.00 0.00 40.66 42.19 1ufz h LEU 14 CO -0.06 -0.25 -1.27 0.54 -1.08 0.00 0.00 178.44 176.33 1ufz n ARG 15 N -5.32 -3.46 -0.27 1.13 1.74 0.74 -3.00 116.66 108.23 1ufz n ARG 15 Ca 0.23 2.82 0.06 0.00 -0.77 0.00 0.00 57.85 60.19 1ufz n ARG 15 Cb 0.75 -3.95 0.18 0.00 -1.02 0.00 0.00 32.46 28.41 1ufz n ARG 15 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1ufz h GLU 16 N -1.27 0.11 -2.97 5.56 4.11 -1.87 -1.43 114.58 116.81 1ufz h GLU 16 Ca -0.18 -0.01 -0.70 0.00 0.07 0.00 0.00 59.36 58.54 1ufz h GLU 16 Cb 1.35 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1ufz h GLU 16 CO 0.07 0.08 3.27 0.45 0.07 0.00 0.00 179.01 182.95 1ufz n SER 17 N -5.33 8.04 -0.05 3.06 2.88 -1.26 -4.12 113.62 116.84 1ufz n SER 17 Ca 0.15 -2.80 -0.03 0.00 -1.33 0.00 0.00 58.87 54.86 1ufz n SER 17 Cb 0.51 -1.50 -0.01 0.00 -0.75 0.00 0.00 64.21 62.46 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 4.97 0.00 -5.07 -3.46 0.87 -1.16 -3.50 113.55 106.20 1ufz h SER 18 Ca 0.78 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 61.43 1ufz h SER 18 Cb 0.33 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 1ufz h SER 18 CO 1.69 0.53 0.29 0.21 -0.53 0.00 0.00 176.83 179.02 1ufz s ASN 19 N -5.14 -0.26 0.28 6.23 2.47 -1.26 -5.00 114.94 112.26 1ufz s ASN 19 Ca -0.09 -0.53 0.03 0.00 0.42 0.00 0.00 52.86 52.69 1ufz s ASN 19 Cb 0.01 0.67 0.68 0.00 -1.45 0.00 0.00 41.25 41.16 1ufz s ASN 19 CO 0.13 -1.22 1.72 -1.28 -3.72 0.00 0.00 177.10 172.73 1ufz h SER 20 N 2.00 0.42 -0.41 -4.21 0.87 -1.97 0.51 113.55 110.77 1ufz h SER 20 Ca -0.21 0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.56 1ufz h SER 20 Cb 1.25 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 63.22 1ufz h SER 20 CO 0.24 0.08 -0.04 0.25 -0.53 0.00 0.00 176.83 176.83 1ufz h LEU 21 N 0.49 -0.25 0.59 2.23 5.85 -1.98 1.30 115.31 123.53 1ufz h LEU 21 Ca 0.54 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.33 1ufz h LEU 21 Cb 0.95 0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.19 1ufz h LEU 21 CO -0.47 -0.08 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.19 1ufz h LEU 22 N 0.06 -0.67 -0.88 2.25 4.07 -0.96 -2.91 115.31 116.27 1ufz h LEU 22 Ca 0.20 0.02 0.24 0.00 0.08 0.00 0.00 57.88 58.42 1ufz h LEU 22 Cb 0.29 0.17 -0.15 0.00 1.08 0.00 0.00 40.66 42.06 1ufz h LEU 22 CO -0.37 -0.27 0.18 0.78 -1.08 0.00 0.00 178.44 177.68 1ufz h ASN 23 N -1.19 -0.12 -0.30 -0.43 2.35 0.09 0.29 115.58 116.26 1ufz h ASN 23 Ca -0.08 0.21 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1ufz h ASN 23 Cb 0.60 0.31 -0.08 0.00 0.05 0.00 0.00 38.32 39.21 1ufz h ASN 23 CO 0.13 -0.20 -0.39 -0.74 -1.65 0.00 0.00 177.43 174.59 1ufz h HIS 24 N 0.15 -1.10 -0.46 1.19 2.76 0.17 0.79 115.15 118.66 1ufz h HIS 24 Ca 0.55 0.06 0.13 0.00 -2.20 0.00 0.00 60.37 58.91 1ufz h HIS 24 Cb 1.11 0.52 -0.02 0.00 1.55 0.00 0.00 27.41 30.57 1ufz h HIS 24 CO -0.32 -0.43 0.58 1.96 -1.30 0.00 0.00 177.93 178.42 1ufz h GLN 25 N -0.36 0.00 0.00 5.26 4.20 -0.23 -3.46 115.11 120.52 1ufz h GLN 25 Ca 0.13 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1ufz h GLN 25 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1ufz h GLN 25 CO -0.49 0.00 -0.03 1.28 -0.67 0.00 0.00 178.83 178.92 1ufz n LEU 26 N -3.51 0.00 -4.68 1.46 4.77 0.28 -4.76 117.00 110.56 1ufz n LEU 26 Ca 0.09 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.85 1ufz n LEU 26 Cb 0.76 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1ufz n LEU 26 CO 0.25 -0.88 -0.33 -0.94 -1.33 0.00 0.00 177.39 174.15 1ufz s SER 27 N -4.04 5.07 0.18 -1.43 1.04 -1.26 -4.92 113.70 108.35 1ufz s SER 27 Ca 0.00 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.12 1ufz s SER 27 Cb 0.00 -1.28 0.06 0.00 0.10 0.00 0.00 66.02 64.89 1ufz s SER 27 CO 0.00 0.25 1.50 1.21 0.98 0.00 0.00 173.24 177.18 1ufz n GLU 28 N 1.14 -0.35 0.12 4.02 2.13 -1.26 0.18 120.64 126.62 1ufz n GLU 28 Ca -0.13 1.48 -0.17 0.00 0.66 0.00 0.00 57.16 59.00 1ufz n GLU 28 Cb 0.52 -2.19 -0.10 0.00 0.27 0.00 0.00 31.44 29.95 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 -0.08 6.31 5.03 -1.99 -0.48 117.51 126.30 1ufz h ILE 29 Ca 0.23 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 65.01 1ufz h ILE 29 Cb 0.47 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.21 1ufz h ILE 29 CO -0.94 0.00 -0.41 0.44 -0.68 0.00 0.00 178.15 176.56 1ufz h ASP 30 N -0.76 -1.28 -0.95 1.72 3.32 -1.15 -1.82 116.42 115.50 1ufz h ASP 30 Ca -0.01 0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.32 1ufz h ASP 30 Cb 0.76 0.51 -0.13 0.00 0.22 0.00 0.00 39.33 40.70 1ufz h ASP 30 CO -0.29 -0.43 -0.47 0.00 -1.72 0.00 0.00 179.24 176.33 1ufz n GLN 31 N -5.44 -0.32 -0.16 3.56 6.02 0.49 -0.35 117.38 121.18 1ufz n GLN 31 Ca -0.05 1.44 -0.10 0.00 -0.01 0.00 0.00 57.00 58.29 1ufz n GLN 31 Cb 0.36 -2.13 -0.08 0.00 1.02 0.00 0.00 30.24 29.41 1ufz n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ufz h ALA 32 N 0.89 -0.60 -0.66 -1.58 0.00 -0.25 0.49 119.26 117.54 1ufz h ALA 32 Ca 0.24 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.31 1ufz h ALA 32 Cb 0.48 1.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.24 1ufz h ALA 32 CO -0.92 -0.84 -0.09 0.00 0.00 0.00 0.00 179.25 177.41 1ufz h ARG 33 N -0.23 0.04 0.00 0.00 3.08 -0.33 0.78 114.38 117.73 1ufz h ARG 33 Ca 0.07 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ufz h ARG 33 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ufz h ARG 33 CO -0.52 0.03 0.00 -0.11 -1.07 0.00 0.00 179.97 178.30 1ufz n LEU 34 N -5.39 0.00 -0.35 3.04 7.94 0.38 -2.16 117.00 120.46 1ufz n LEU 34 Ca 0.09 0.98 0.24 0.00 -1.11 0.00 0.00 56.01 56.21 1ufz n LEU 34 Cb 0.37 -0.48 0.48 0.00 0.53 0.00 0.00 43.42 44.32 1ufz n LEU 34 CO 0.06 -0.48 1.16 1.88 -1.11 0.00 0.00 177.39 178.89 1ufz h TYR 35 N 0.00 0.86 -0.39 1.96 0.05 0.32 1.57 116.97 121.34 1ufz h TYR 35 Ca 0.00 0.03 0.11 0.00 0.05 0.00 0.00 58.73 58.93 1ufz h TYR 35 Cb 0.00 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 1ufz h TYR 35 CO -0.06 -0.09 0.35 0.66 -1.05 0.00 0.00 178.16 177.97 1ufz h SER 36 N 0.36 0.00 0.00 3.88 4.64 0.11 0.33 113.55 122.87 1ufz h SER 36 Ca 0.70 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.79 1ufz h SER 36 Cb 1.66 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.72 1ufz h SER 36 CO -0.51 0.00 -1.44 0.00 -0.87 0.00 0.00 176.83 174.01 1ufz h LEU 38 N -1.00 -0.77 -1.87 0.00 4.07 -0.26 1.56 115.31 117.05 1ufz h LEU 38 Ca -0.35 0.24 0.54 0.00 0.08 0.00 0.00 57.88 58.39 1ufz h LEU 38 Cb 1.22 0.50 -0.07 0.00 1.08 0.00 0.00 40.66 43.39 1ufz h LEU 38 CO -0.21 -0.27 1.41 -0.67 -1.08 0.00 0.00 178.44 177.62 1ufz n ASP 39 N -5.52 0.00 0.00 -0.43 2.03 0.11 0.29 116.55 113.03 1ufz n ASP 39 Ca 0.11 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1ufz n ASP 39 Cb 0.40 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 -3.83 0.00 0.15 -0.67 -0.00 0.53 -3.94 115.22 107.46 1ufz n HIS 40 Ca 0.42 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.76 1ufz n HIS 40 Cb 1.97 -0.12 0.54 0.00 -0.12 0.00 0.00 29.99 32.26 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 0.00 1.57 4.05 -0.97 1.46 114.93 121.04 1ufz h MET 41 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1ufz h MET 41 Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1ufz h MET 41 CO 0.00 0.00 -0.18 0.00 0.23 0.00 0.00 176.91 176.96 1ufz h ARG 42 N 0.00 0.00 0.00 0.39 2.47 0.42 0.91 114.38 118.56 1ufz h ARG 42 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1ufz h ARG 42 Cb 1.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.87 1ufz h ARG 42 CO -0.00 0.18 -0.83 -1.91 0.56 0.00 0.00 179.97 177.97 1ufz n GLU 43 N -3.82 0.18 0.00 0.04 4.07 0.50 -2.70 120.64 118.91 1ufz n GLU 43 Ca -0.02 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1ufz n GLU 43 Cb 0.28 -1.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 1ufz n GLU 43 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ufz n VAL 44 N -1.81 0.00 -0.08 6.31 0.31 -0.53 -4.69 118.33 117.85 1ufz n VAL 44 Ca 0.03 0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 64.56 1ufz n VAL 44 Cb 0.40 -1.13 -0.15 0.00 -0.91 0.00 0.00 33.84 32.05 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 -1.79 0.78 -0.59 7.52 4.32 0.09 -4.27 117.00 123.07 1ufz n LEU 45 Ca 0.00 0.09 0.45 0.00 -0.02 0.00 0.00 56.01 56.53 1ufz n LEU 45 Cb 0.00 0.13 0.70 0.00 -1.62 0.00 0.00 43.42 42.62 1ufz n LEU 45 CO 0.00 0.55 1.26 0.61 -1.22 0.00 0.00 177.39 178.59 1ufz n GLY 46 N 1.79 -0.84 0.39 -0.72 0.00 0.06 0.06 105.19 105.93 1ufz n GLY 46 Ca -0.31 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.47 0.00 1.61 1.82 -1.69 -3.25 116.42 113.44 1ufz h ASP 47 Ca 0.81 0.31 -0.21 0.00 -0.39 0.00 0.00 57.03 57.56 1ufz h ASP 47 Cb 3.17 0.77 -0.03 0.00 0.68 0.00 0.00 39.33 43.91 1ufz h ASP 47 CO -0.06 -0.29 -1.72 0.00 -1.61 0.00 0.00 179.24 175.56 1ufz n ALA 48 N -3.46 1.96 -1.79 -0.78 0.00 0.11 -5.00 120.51 111.55 1ufz n ALA 48 Ca 0.10 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 1ufz n ALA 48 Cb 0.39 0.28 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.24 2.37 0.00 0.00 1.01 0.39 -5.01 120.40 116.91 1ufz s VAL 49 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1ufz s VAL 49 Cb 0.06 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1ufz s VAL 49 CO 0.25 0.08 0.00 -0.81 0.00 0.00 0.00 175.10 174.62 1ufz n PRO 50 N 0.98 0.73 -0.07 2.72 -0.04 -1.26 -3.87 135.00 134.18 1ufz n PRO 50 Ca 0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1ufz n PRO 50 Cb 0.40 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.80 1ufz n PRO 50 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ufz h ASP 51 N -0.09 0.00 -0.64 3.54 1.82 -1.95 -3.32 116.42 115.78 1ufz h ASP 51 Ca 0.00 -0.37 0.06 0.00 -0.39 0.00 0.00 57.03 56.33 1ufz h ASP 51 Cb 0.00 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 39.93 1ufz h ASP 51 CO 0.00 0.95 -0.38 0.47 -1.61 0.00 0.00 179.24 178.67 1ufz n ASP 52 N -4.60 -0.68 -0.37 2.28 8.00 -1.26 0.19 116.55 120.10 1ufz n ASP 52 Ca -0.13 1.44 0.01 0.00 0.71 0.00 0.00 54.79 56.82 1ufz n ASP 52 Cb 0.36 -0.30 0.07 0.00 -0.02 0.00 0.00 41.12 41.24 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 -4.46 -0.48 0.35 0.53 -0.00 -1.26 0.12 119.36 114.15 1ufz n ILE 53 Ca 0.01 2.28 -0.16 0.00 -0.00 0.00 0.00 62.75 64.89 1ufz n ILE 53 Cb 0.17 -3.06 -0.08 0.00 -0.00 0.00 0.00 39.64 36.66 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 -0.76 -0.92 1.39 3.38 0.29 -2.43 115.31 116.25 1ufz h LEU 54 Ca 0.39 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.58 1ufz h LEU 54 Cb 0.63 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.41 1ufz h LEU 54 CO -0.99 -0.42 -0.03 0.74 0.09 0.00 0.00 178.44 177.83 1ufz h THR 55 N -1.12 0.11 0.39 0.22 2.02 0.47 0.43 112.91 115.43 1ufz h THR 55 Ca -0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1ufz h THR 55 Cb 0.72 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1ufz h THR 55 CO 0.15 0.01 -0.39 -0.33 0.37 0.00 0.00 175.52 175.32 1ufz h GLU 56 N 0.03 -0.76 -0.97 6.66 4.39 0.11 -0.62 114.58 123.42 1ufz h GLU 56 Ca 0.52 0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.54 1ufz h GLU 56 Cb 0.99 0.17 -0.18 0.00 -0.10 0.00 0.00 28.75 29.63 1ufz h GLU 56 CO -0.87 -0.51 0.02 0.00 -1.16 0.00 0.00 179.01 176.49 1ufz h ALA 57 N -1.10 1.12 -0.10 3.43 0.00 -0.46 1.76 119.26 123.92 1ufz h ALA 57 Ca -0.05 0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1ufz h ALA 57 Cb 0.68 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1ufz h ALA 57 CO -0.05 -0.55 -0.09 0.82 0.00 0.00 0.00 179.25 179.39 1ufz h ILE 58 N 0.02 0.75 0.00 0.00 2.04 -0.51 0.20 117.51 120.00 1ufz h ILE 58 Ca 0.58 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.44 1ufz h ILE 58 Cb 1.17 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1ufz h ILE 58 CO -0.90 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.43 1ufz n LEU 59 N -5.22 0.59 0.21 1.44 4.77 0.37 0.15 117.00 119.31 1ufz n LEU 59 Ca -0.04 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.68 1ufz n LEU 59 Cb 0.15 -0.54 0.31 0.00 -2.33 0.00 0.00 43.42 41.00 1ufz n LEU 59 CO 0.26 -0.48 0.77 0.50 -1.33 0.00 0.00 177.39 177.10 1ufz h LYS 60 N 0.00 0.00 -0.06 3.23 1.63 0.52 -3.24 116.57 118.65 1ufz h LYS 60 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1ufz h LYS 60 Cb 0.38 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 31.69 1ufz h LYS 60 CO 0.00 0.17 -0.94 0.72 -3.45 0.00 0.00 179.45 175.95 1ufz n HIS 61 N -3.20 0.19 -3.93 1.91 8.25 -0.64 -5.01 115.22 112.78 1ufz n HIS 61 Ca 0.02 -0.89 -0.35 0.00 -0.26 0.00 0.00 57.72 56.25 1ufz n HIS 61 Cb 0.51 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.44 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 0.06 -0.96 -2.79 -0.41 0.00 0.38 -3.49 118.16 110.95 1ufz n LYS 62 Ca 0.10 0.44 -0.00 0.00 0.00 0.00 0.00 58.31 58.85 1ufz n LYS 62 Cb 1.03 -2.29 -0.00 0.00 0.00 0.00 0.00 35.03 33.76 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 -3.69 -3.44 -2.81 5.64 3.01 0.40 -4.98 117.46 111.59 1ufz n PHE 63 Ca -0.24 1.54 -0.10 0.00 1.01 0.00 0.00 57.45 59.66 1ufz n PHE 63 Cb 0.64 -3.58 0.05 0.00 -0.01 0.00 0.00 39.48 36.58 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 0.83 -2.11 -0.39 4.37 2.03 -1.23 -5.01 116.55 115.04 1ufz n ASP 64 Ca -0.01 -3.42 -0.07 0.00 0.52 0.00 0.00 54.79 51.80 1ufz n ASP 64 Cb 0.09 1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 41.94 1ufz n ASP 64 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ufz n VAL 65 N 0.92 -0.59 -0.32 5.18 0.31 -1.26 0.20 118.33 122.77 1ufz n VAL 65 Ca 0.10 2.27 0.19 0.00 -0.01 0.00 0.00 64.34 66.89 1ufz n VAL 65 Cb 0.66 -2.87 0.36 0.00 -0.91 0.00 0.00 33.84 31.07 1ufz n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ufz n GLN 66 N -5.26 -0.07 -0.07 5.55 6.02 -1.26 0.21 117.38 122.50 1ufz n GLN 66 Ca 0.05 1.36 -0.08 0.00 -0.01 0.00 0.00 57.00 58.32 1ufz n GLN 66 Cb 0.29 -2.25 -0.05 0.00 1.02 0.00 0.00 30.24 29.25 1ufz n GLN 66 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1ufz h LYS 67 N 0.00 0.00 -1.14 -1.09 3.11 0.12 -2.72 116.57 114.84 1ufz h LYS 67 Ca 0.63 0.00 0.40 0.00 -2.81 0.00 0.00 60.65 58.87 1ufz h LYS 67 Cb 1.45 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 32.53 1ufz h LYS 67 CO -0.83 0.41 0.69 0.00 -2.81 0.00 0.00 179.45 176.91 1ufz h ALA 68 N -0.67 2.36 -0.08 5.00 0.00 0.40 1.56 119.26 127.84 1ufz h ALA 68 Ca -0.06 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1ufz h ALA 68 Cb 0.57 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ufz h ALA 68 CO -0.03 -1.03 -0.39 -0.07 0.00 0.00 0.00 179.25 177.73 1ufz h LEU 69 N 0.13 0.48 -2.16 0.00 3.38 0.24 1.50 115.31 118.88 1ufz h LEU 69 Ca 0.80 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ufz h LEU 69 Cb 2.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.83 1ufz h LEU 69 CO -0.56 1.05 -0.02 -1.28 0.09 0.00 0.00 178.44 177.73 1ufz h SER 70 N -0.06 0.00 0.03 -0.43 0.87 0.22 1.09 113.55 115.27 1ufz h SER 70 Ca -0.03 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.22 1ufz h SER 70 Cb 1.04 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 1ufz h SER 70 CO 0.08 0.02 -1.71 0.52 -0.53 0.00 0.00 176.83 175.20 1ufz n VAL 71 N -4.21 1.59 -0.11 2.23 0.31 0.26 -3.39 118.33 115.01 1ufz n VAL 71 Ca -0.03 -0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 63.95 1ufz n VAL 71 Cb 0.10 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.68 1.03 0.52 2.52 2.07 0.24 0.70 116.25 122.65 1ufz h VAL 72 Ca -0.44 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1ufz h VAL 72 Cb 1.57 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1ufz h VAL 72 CO -0.16 0.08 -0.50 -0.07 0.02 0.00 0.00 177.57 176.94 1ufz h LEU 73 N 0.42 -1.35 -0.37 2.57 3.38 0.11 0.70 115.31 120.77 1ufz h LEU 73 Ca 0.14 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.28 1ufz h LEU 73 Cb 0.01 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1ufz h LEU 73 CO -0.07 -0.67 0.05 -0.08 0.09 0.00 0.00 178.44 177.77 1ufz h GLU 74 N -1.01 0.16 -0.22 1.13 4.81 -1.52 -2.01 114.58 115.92 1ufz h GLU 74 Ca -0.06 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1ufz h GLU 74 Cb 0.87 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 1ufz h GLU 74 CO -0.05 0.11 -0.08 0.37 -0.73 0.00 0.00 179.01 178.63 1ufz h GLN 75 N 0.17 -0.04 -0.99 1.92 4.15 0.78 1.00 115.11 122.11 1ufz h GLN 75 Ca 0.18 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.85 1ufz h GLN 75 Cb 0.22 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 27.79 1ufz h GLN 75 CO -0.25 -0.03 0.56 0.22 -1.93 0.00 0.00 178.83 177.40 1ufz h ASP 76 N -0.04 0.61 1.24 -0.69 3.58 0.11 0.73 116.42 121.97 1ufz h ASP 76 Ca 0.11 0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.58 1ufz h ASP 76 Cb 0.21 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1ufz h ASP 76 CO -0.25 0.08 -0.79 1.23 -2.88 0.00 0.00 179.24 176.63 1ufz h GLY 77 N 0.54 0.00 0.59 -0.78 0.00 -0.48 -3.35 103.07 99.59 1ufz h GLY 77 Ca 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 1ufz h GLY 77 CO -0.49 0.00 -0.41 0.23 0.00 0.00 0.00 176.54 175.87 1ufz h SER 78 N 0.00 -1.12 0.00 0.19 0.87 0.74 -3.16 113.55 111.07 1ufz h SER 78 Ca -0.05 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ufz h SER 78 Cb 1.47 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 1ufz h SER 78 CO 0.07 -0.57 0.00 0.61 -0.53 0.00 0.00 176.83 176.41 1ufz n GLY 79 N -1.51 -3.08 3.55 5.77 0.00 -0.72 -3.54 105.19 105.67 1ufz n GLY 79 Ca -0.11 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.90 2.96 -0.51 1.61 0.04 -1.19 -4.93 135.00 130.08 1ufz s PRO 80 Ca 0.00 -0.08 -0.04 0.00 0.04 0.00 0.00 61.00 60.92 1ufz s PRO 80 Cb 0.00 -4.55 0.13 0.00 0.04 0.00 0.00 34.50 30.12 1ufz s PRO 80 CO 0.00 -2.54 0.32 -1.12 0.04 0.00 0.00 177.00 173.71 1ufz s SER 81 N 6.05 5.33 -0.40 6.66 0.01 -1.23 -4.80 113.70 125.33 1ufz s SER 81 Ca 0.53 -2.35 -0.11 0.00 1.31 0.00 0.00 55.95 55.32 1ufz s SER 81 Cb -0.08 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.29 1ufz s SER 81 CO 0.11 -0.50 0.43 -1.20 0.41 0.00 0.00 173.24 172.50 1ufz n SER 82 N 4.19 -7.99 0.00 2.44 7.64 -1.26 -5.20 113.62 113.44 1ufz n SER 82 Ca 0.01 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1ufz n SER 82 Cb 0.40 -5.40 0.00 0.00 -1.01 0.00 0.00 64.21 58.20 1ufz n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64