#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 0.00 -0.87 1.61 7.64 -1.26 -5.16 113.62 115.58 1ufz n SER 2 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1ufz n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ufz n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ufz n SER 3 N 0.00 -4.70 0.00 6.43 7.64 -1.26 -5.09 113.62 116.64 1ufz n SER 3 Ca 0.00 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1ufz n SER 3 Cb 0.00 -2.96 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 1ufz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufz n GLY 4 N -3.35 2.49 3.21 0.23 0.00 -1.26 -5.19 105.19 101.32 1ufz n GLY 4 Ca -0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1ufz n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufz s SER 5 N 0.00 0.32 0.14 1.61 0.15 -1.26 -5.18 113.70 109.49 1ufz s SER 5 Ca 0.00 -1.43 -0.07 0.00 0.70 0.00 0.00 55.95 55.15 1ufz s SER 5 Cb 0.00 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1ufz s SER 5 CO 0.00 -0.86 0.22 -0.94 1.20 0.00 0.00 173.24 172.86 1ufz s SER 6 N -3.18 0.11 0.00 5.45 1.04 -1.26 -5.13 113.70 110.73 1ufz s SER 6 Ca 0.39 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1ufz s SER 6 Cb 0.06 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ufz s SER 6 CO 0.14 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1ufz n GLY 7 N -0.16 -0.80 0.08 7.32 0.00 -1.26 -4.94 105.19 105.42 1ufz n GLY 7 Ca -0.08 0.75 -0.10 0.00 0.00 0.00 0.00 46.02 46.59 1ufz n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ufz n GLU 8 N 0.00 0.48 0.01 1.61 0.00 -1.26 -3.90 120.64 117.58 1ufz n GLU 8 Ca 0.00 0.53 -0.19 0.00 0.00 0.00 0.00 57.16 57.50 1ufz n GLU 8 Cb 0.00 -1.70 -0.14 0.00 0.00 0.00 0.00 31.44 29.61 1ufz n GLU 8 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1ufz h TYR 9 N -1.00 0.37 0.11 4.31 3.20 -1.99 -3.30 116.97 118.67 1ufz h TYR 9 Ca -0.10 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 1ufz h TYR 9 Cb 0.75 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1ufz h TYR 9 CO -0.14 1.29 -0.18 0.78 -1.64 0.00 0.00 178.16 178.26 1ufz h GLY 10 N -0.48 -1.05 -0.90 1.82 0.00 -1.97 0.75 103.07 101.24 1ufz h GLY 10 Ca -0.15 0.49 0.15 0.00 0.00 0.00 0.00 47.33 47.81 1ufz h GLY 10 CO 0.08 -0.35 -0.33 2.98 0.00 0.00 0.00 176.54 178.92 1ufz n TYR 11 N -3.46 0.08 0.31 5.60 4.19 -1.25 0.21 117.16 122.84 1ufz n TYR 11 Ca -0.04 1.10 -0.16 0.00 3.31 0.00 0.00 57.90 62.12 1ufz n TYR 11 Cb 0.15 -0.87 -0.08 0.00 0.49 0.00 0.00 39.34 39.03 1ufz n TYR 11 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1ufz h GLU 12 N 0.00 -0.74 -0.83 2.98 4.22 -1.56 0.73 114.58 119.38 1ufz h GLU 12 Ca 0.33 0.05 0.14 0.00 0.08 0.00 0.00 59.36 59.96 1ufz h GLU 12 Cb 0.56 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.83 1ufz h GLU 12 CO -0.90 -0.44 -0.36 0.22 -2.18 0.00 0.00 179.01 175.35 1ufz h ASP 13 N -0.91 -1.28 -0.02 1.04 3.58 0.34 0.19 116.42 119.35 1ufz h ASP 13 Ca -0.08 0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1ufz h ASP 13 Cb 0.64 0.67 -0.00 0.00 1.72 0.00 0.00 39.33 42.36 1ufz h ASP 13 CO 0.13 -0.29 0.00 -0.07 -2.88 0.00 0.00 179.24 176.13 1ufz h LEU 14 N -0.06 0.04 -8.62 2.28 4.07 -0.13 -3.43 115.31 109.45 1ufz h LEU 14 Ca 0.31 -0.26 -0.81 0.00 0.08 0.00 0.00 57.88 57.20 1ufz h LEU 14 Cb 0.58 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1ufz h LEU 14 CO -0.87 0.29 0.99 -1.14 -1.08 0.00 0.00 178.44 176.63 1ufz n ARG 15 N -4.94 0.19 0.00 1.13 0.00 0.25 -4.74 116.66 108.55 1ufz n ARG 15 Ca -0.07 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1ufz n ARG 15 Cb 0.15 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 30.99 1ufz n ARG 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ufz n GLU 16 N 5.68 0.00 0.00 -0.14 2.13 -1.26 -4.89 120.64 122.15 1ufz n GLU 16 Ca 0.40 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1ufz n GLU 16 Cb -0.02 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.69 1ufz n GLU 16 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ufz n SER 17 N 0.00 0.00 -0.03 4.31 2.88 -1.26 -5.08 113.62 114.43 1ufz n SER 17 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ufz n SER 17 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.00 -3.84 -3.46 0.87 -2.02 -3.45 113.55 101.65 1ufz h SER 18 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1ufz h SER 18 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ufz h SER 18 CO 0.00 0.33 -0.97 0.59 -0.53 0.00 0.00 176.83 176.25 1ufz n ASN 19 N -3.38 -8.25 0.15 6.23 3.02 -1.26 -0.63 115.26 111.14 1ufz n ASN 19 Ca -0.03 1.82 0.03 0.00 -0.03 0.00 0.00 54.58 56.37 1ufz n ASN 19 Cb 0.10 -4.95 0.11 0.00 -0.61 0.00 0.00 39.78 34.43 1ufz n ASN 19 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1ufz h SER 20 N 0.05 0.00 0.00 6.41 4.64 -1.98 -1.94 113.55 120.73 1ufz h SER 20 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ufz h SER 20 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1ufz h SER 20 CO 0.01 0.50 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.19 1ufz h LEU 21 N 0.00 0.00 -0.39 5.97 -0.00 -2.00 -3.19 115.31 115.70 1ufz h LEU 21 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 1ufz h LEU 21 Cb 1.26 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.83 1ufz h LEU 21 CO 0.07 0.50 -0.26 0.25 -0.00 0.00 0.00 178.44 179.00 1ufz h LEU 22 N -0.79 -0.87 -1.41 1.67 6.46 -1.71 0.57 115.31 119.23 1ufz h LEU 22 Ca 0.00 0.17 0.25 0.00 -0.12 0.00 0.00 57.88 58.18 1ufz h LEU 22 Cb 0.21 0.43 -0.09 0.00 -0.73 0.00 0.00 40.66 40.49 1ufz h LEU 22 CO 0.00 -0.28 0.66 -1.13 -0.62 0.00 0.00 178.44 177.07 1ufz h ASN 23 N -0.20 0.43 -0.61 1.25 -1.24 -0.03 0.49 115.58 115.67 1ufz h ASN 23 Ca 0.18 0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.33 1ufz h ASN 23 Cb 0.49 -0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.48 1ufz h ASN 23 CO -0.50 0.11 0.31 -0.74 -1.29 0.00 0.00 177.43 175.32 1ufz h HIS 24 N 0.40 0.57 -0.33 0.67 2.76 0.15 0.82 115.15 120.19 1ufz h HIS 24 Ca 0.57 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.83 1ufz h HIS 24 Cb 1.44 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 1ufz h HIS 24 CO -0.00 0.25 0.23 1.96 -1.30 0.00 0.00 177.93 179.07 1ufz h GLN 25 N 0.58 0.11 -2.92 5.26 4.20 0.34 -3.48 115.11 119.20 1ufz h GLN 25 Ca 0.28 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.00 1ufz h GLN 25 Cb 0.22 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1ufz h GLN 25 CO -0.20 0.07 -0.78 1.28 -0.67 0.00 0.00 178.83 178.53 1ufz n LEU 26 N -4.46 -1.29 -4.72 1.46 4.77 0.28 -4.73 117.00 108.31 1ufz n LEU 26 Ca 0.04 2.22 -0.33 0.00 -0.03 0.00 0.00 56.01 57.91 1ufz n LEU 26 Cb 0.33 -2.26 0.10 0.00 -2.33 0.00 0.00 43.42 39.27 1ufz n LEU 26 CO 0.35 -0.71 0.77 -0.44 -1.33 0.00 0.00 177.39 176.03 1ufz s SER 27 N -4.98 4.04 0.09 -1.43 0.01 -1.26 -4.60 113.70 105.58 1ufz s SER 27 Ca 0.00 2.27 -0.22 0.00 1.31 0.00 0.00 55.95 59.31 1ufz s SER 27 Cb 0.00 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1ufz s SER 27 CO 0.00 -2.36 1.37 -0.08 0.41 0.00 0.00 173.24 172.58 1ufz h GLU 28 N -0.62 -0.18 0.00 12.44 4.81 -1.98 0.84 114.58 129.89 1ufz h GLU 28 Ca -0.46 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1ufz h GLU 28 Cb 1.28 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1ufz h GLU 28 CO 0.49 -0.12 0.00 -0.89 -0.73 0.00 0.00 179.01 177.76 1ufz n ILE 29 N -4.51 0.00 -0.35 2.32 -0.00 -1.26 -0.59 119.36 114.97 1ufz n ILE 29 Ca -0.01 1.44 0.05 0.00 -0.00 0.00 0.00 62.75 64.23 1ufz n ILE 29 Cb 0.21 -2.05 0.13 0.00 -0.00 0.00 0.00 39.64 37.93 1ufz n ILE 29 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1ufz h ASP 30 N 0.00 -0.92 -0.43 4.38 3.32 -1.81 0.41 116.42 121.36 1ufz h ASP 30 Ca 0.00 0.29 0.07 0.00 0.02 0.00 0.00 57.03 57.41 1ufz h ASP 30 Cb 0.00 0.61 -0.09 0.00 0.22 0.00 0.00 39.33 40.07 1ufz h ASP 30 CO 0.00 -0.32 -0.45 1.56 -1.72 0.00 0.00 179.24 178.32 1ufz h GLN 31 N -0.00 -0.31 -0.95 3.56 4.20 0.28 0.52 115.11 122.41 1ufz h GLN 31 Ca 0.46 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.34 1ufz h GLN 31 Cb 0.70 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.40 1ufz h GLN 31 CO -1.00 -0.21 -0.39 0.00 -0.67 0.00 0.00 178.83 176.57 1ufz h ALA 32 N 0.39 0.11 -0.13 3.87 0.00 0.23 1.33 119.26 125.06 1ufz h ALA 32 Ca 0.14 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ufz h ALA 32 Cb 0.58 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1ufz h ALA 32 CO -0.59 -0.64 0.07 0.00 0.00 0.00 0.00 179.25 178.08 1ufz h ARG 33 N -0.02 0.19 0.26 0.00 3.08 -0.72 0.60 114.38 117.77 1ufz h ARG 33 Ca 0.33 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ufz h ARG 33 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1ufz h ARG 33 CO -0.95 0.24 -0.34 1.25 -1.07 0.00 0.00 179.97 179.10 1ufz h LEU 34 N 0.09 -0.96 -0.70 3.04 7.12 0.45 0.24 115.31 124.59 1ufz h LEU 34 Ca 0.05 0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.22 1ufz h LEU 34 Cb 0.11 0.33 -0.07 0.00 -0.53 0.00 0.00 40.66 40.51 1ufz h LEU 34 CO -0.01 -0.42 0.36 1.88 -0.13 0.00 0.00 178.44 180.12 1ufz h TYR 35 N -0.62 0.64 -0.04 1.25 0.05 0.15 1.24 116.97 119.64 1ufz h TYR 35 Ca -0.03 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1ufz h TYR 35 Cb 0.56 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 1ufz h TYR 35 CO -0.25 0.25 0.06 1.03 -1.05 0.00 0.00 178.16 178.20 1ufz h SER 36 N 0.62 0.00 0.24 3.88 0.87 0.66 1.34 113.55 121.17 1ufz h SER 36 Ca 0.34 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.56 1ufz h SER 36 Cb 0.32 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 1ufz h SER 36 CO -0.25 0.00 -2.05 0.00 -0.53 0.00 0.00 176.83 174.01 1ufz h LEU 38 N 0.00 -0.39 -0.96 0.00 5.85 0.34 -3.14 115.31 117.01 1ufz h LEU 38 Ca -0.42 -0.06 0.16 0.00 0.84 0.00 0.00 57.88 58.40 1ufz h LEU 38 Cb 2.11 0.10 -0.17 0.00 0.37 0.00 0.00 40.66 43.07 1ufz h LEU 38 CO 0.05 0.07 -0.34 -0.78 -0.34 0.00 0.00 178.44 177.10 1ufz h ASP 39 N -1.08 -1.24 0.00 1.25 3.58 0.15 0.35 116.42 119.43 1ufz h ASP 39 Ca -0.05 0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1ufz h ASP 39 Cb 0.43 0.69 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ufz h ASP 39 CO 0.08 -0.30 0.00 1.57 -2.88 0.00 0.00 179.24 177.71 1ufz n HIS 40 N -5.52 0.00 -0.39 0.28 -0.00 -1.24 0.05 115.22 108.41 1ufz n HIS 40 Ca 0.11 0.00 0.32 0.00 0.46 0.00 0.00 57.72 58.61 1ufz n HIS 40 Cb 0.43 -0.22 0.61 0.00 -0.12 0.00 0.00 29.99 30.69 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 0.19 0.88 1.57 4.05 -1.25 0.31 114.93 120.68 1ufz h MET 41 Ca 0.00 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1ufz h MET 41 Cb 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1ufz h MET 41 CO 0.00 0.13 -0.49 0.00 0.23 0.00 0.00 176.91 176.78 1ufz h ARG 42 N 0.20 -1.22 0.00 0.39 3.08 0.23 0.69 114.38 117.75 1ufz h ARG 42 Ca 0.69 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.83 1ufz h ARG 42 Cb 2.14 0.28 0.00 0.00 0.08 0.00 0.00 29.97 32.47 1ufz h ARG 42 CO -0.29 -0.81 0.16 -1.91 -1.07 0.00 0.00 179.97 176.05 1ufz n GLU 43 N -5.60 0.10 0.00 0.04 4.07 0.11 0.29 120.64 119.65 1ufz n GLU 43 Ca -0.16 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1ufz n GLU 43 Cb 0.51 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 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 -2.08 0.00 -0.06 6.31 0.31 -0.38 -4.75 118.33 117.68 1ufz n VAL 44 Ca -0.01 0.23 -0.07 0.00 -0.01 0.00 0.00 64.34 64.48 1ufz n VAL 44 Cb 0.18 -0.99 -0.15 0.00 -0.91 0.00 0.00 33.84 31.97 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 -1.62 0.27 -0.56 7.52 4.32 0.23 -4.28 117.00 122.87 1ufz n LEU 45 Ca 0.00 0.13 0.43 0.00 -0.02 0.00 0.00 56.01 56.54 1ufz n LEU 45 Cb 0.00 0.34 0.66 0.00 -1.62 0.00 0.00 43.42 42.80 1ufz n LEU 45 CO 0.00 0.40 1.19 0.61 -1.22 0.00 0.00 177.39 178.37 1ufz n GLY 46 N 1.63 -0.80 0.27 -0.72 0.00 0.83 0.21 105.19 106.61 1ufz n GLY 46 Ca -0.25 0.58 0.22 0.00 0.00 0.00 0.00 46.02 46.56 1ufz n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ufz n ASP 47 N -3.66 0.16 -0.04 1.61 -0.08 -0.83 -2.65 116.55 111.06 1ufz n ASP 47 Ca 0.36 1.36 -0.09 0.00 -1.51 0.00 0.00 54.79 54.91 1ufz n ASP 47 Cb 1.61 -0.61 -0.03 0.00 2.34 0.00 0.00 41.12 44.44 1ufz n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ufz n ALA 48 N -2.67 2.10 -1.77 -1.67 0.00 0.13 -5.01 120.51 111.61 1ufz n ALA 48 Ca 0.27 -0.44 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1ufz n ALA 48 Cb 0.91 0.24 -0.00 0.00 0.00 0.00 0.00 19.45 20.59 1ufz n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ufz s VAL 49 N -2.33 2.46 0.00 0.00 0.11 -1.04 -5.02 120.40 114.58 1ufz s VAL 49 Ca -0.15 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1ufz s VAL 49 Cb 0.04 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1ufz s VAL 49 CO 0.21 0.08 0.00 -0.81 -3.33 0.00 0.00 175.10 171.25 1ufz n PRO 50 N 0.27 0.74 -0.00 1.54 -0.04 -1.26 -4.05 135.00 132.20 1ufz n PRO 50 Ca 0.03 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.27 1ufz n PRO 50 Cb 0.42 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 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 -0.09 0.39 0.08 3.54 2.03 -1.95 -3.33 116.42 117.09 1ufz h ASP 51 Ca 0.00 -0.91 0.00 0.00 -0.73 0.00 0.00 57.03 55.39 1ufz h ASP 51 Cb 0.00 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.36 1ufz h ASP 51 CO 0.00 1.82 -0.20 0.44 -1.03 0.00 0.00 179.24 180.27 1ufz h ASP 52 N -0.04 -0.58 -0.88 4.15 5.19 -1.97 1.40 116.42 123.69 1ufz h ASP 52 Ca -0.41 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.14 1ufz h ASP 52 Cb 1.96 0.21 -0.11 0.00 0.18 0.00 0.00 39.33 41.58 1ufz h ASP 52 CO 0.06 -0.22 -0.52 -0.38 -3.12 0.00 0.00 179.24 175.07 1ufz n ILE 53 N -3.56 -0.60 0.04 0.35 5.41 -1.26 0.92 119.36 120.66 1ufz n ILE 53 Ca -0.03 2.23 -0.11 0.00 1.00 0.00 0.00 62.75 65.83 1ufz n ILE 53 Cb 0.16 -2.76 -0.04 0.00 -0.71 0.00 0.00 39.64 36.29 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 -0.35 1.39 3.38 -1.58 -1.32 115.31 116.07 1ufz h LEU 54 Ca 0.14 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1ufz h LEU 54 Cb 0.36 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1ufz h LEU 54 CO -0.83 -0.31 -0.52 0.74 0.09 0.00 0.00 178.44 177.61 1ufz h THR 55 N -0.37 0.03 -0.81 0.22 2.02 0.62 0.99 112.91 115.61 1ufz h THR 55 Ca 0.07 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.45 1ufz h THR 55 Cb 0.47 0.03 -0.13 0.00 -1.74 0.00 0.00 68.15 66.78 1ufz h THR 55 CO -0.25 0.00 0.17 -0.33 0.37 0.00 0.00 175.52 175.48 1ufz h GLU 56 N -0.42 0.20 -0.62 6.66 3.07 0.98 0.48 114.58 124.93 1ufz h GLU 56 Ca 0.08 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.04 1ufz h GLU 56 Cb 0.61 -0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.39 1ufz h GLU 56 CO -0.56 0.13 0.16 0.00 -1.40 0.00 0.00 179.01 177.35 1ufz h ALA 57 N 1.72 0.76 0.34 3.43 0.00 0.31 1.11 119.26 126.93 1ufz h ALA 57 Ca 0.48 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 1ufz h ALA 57 Cb 0.90 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1ufz h ALA 57 CO -0.62 -0.28 -0.31 0.82 0.00 0.00 0.00 179.25 178.87 1ufz h ILE 58 N 0.30 0.36 0.00 0.00 2.04 0.89 0.10 117.51 121.20 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 0.47 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1ufz h ILE 58 CO -0.39 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.94 1ufz n LEU 59 N -5.43 0.57 0.14 1.44 7.99 -0.58 -0.43 117.00 120.71 1ufz n LEU 59 Ca -0.10 0.70 0.13 0.00 -0.01 0.00 0.00 56.01 56.73 1ufz n LEU 59 Cb 0.33 -0.69 0.40 0.00 -0.11 0.00 0.00 43.42 43.35 1ufz n LEU 59 CO 0.30 -0.73 0.88 0.50 -1.51 0.00 0.00 177.39 176.82 1ufz h LYS 60 N 0.00 0.00 0.00 3.23 1.63 0.38 -3.22 116.57 118.59 1ufz h LYS 60 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1ufz h LYS 60 Cb 0.18 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 31.52 1ufz h LYS 60 CO 0.00 0.00 -0.90 0.72 -3.45 0.00 0.00 179.45 175.82 1ufz n HIS 61 N -2.44 0.00 -3.92 1.91 8.25 0.42 -5.02 115.22 114.42 1ufz n HIS 61 Ca 0.04 -0.46 -0.34 0.00 -0.26 0.00 0.00 57.72 56.71 1ufz n HIS 61 Cb 0.40 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.03 -2.80 -0.41 0.00 0.39 -3.54 118.16 111.09 1ufz n LYS 62 Ca 0.06 0.48 -0.01 0.00 0.00 0.00 0.00 58.31 58.84 1ufz n LYS 62 Cb 1.04 -2.31 -0.01 0.00 0.00 0.00 0.00 35.03 33.75 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 -3.59 -3.26 -2.73 5.64 3.01 0.43 -4.98 117.46 111.97 1ufz n PHE 63 Ca -0.24 1.54 -0.09 0.00 1.01 0.00 0.00 57.45 59.67 1ufz n PHE 63 Cb 0.65 -3.38 0.09 0.00 -0.01 0.00 0.00 39.48 36.82 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 1.04 -2.37 -0.38 4.37 -0.08 -1.23 -5.02 116.55 112.88 1ufz n ASP 64 Ca -0.07 -3.64 -0.07 0.00 -1.51 0.00 0.00 54.79 49.50 1ufz n ASP 64 Cb 0.19 1.92 -0.05 0.00 2.34 0.00 0.00 41.12 45.52 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 2.95 0.01 -1.22 5.18 2.07 -1.92 1.88 116.25 125.21 1ufz h VAL 65 Ca -0.11 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.84 1ufz h VAL 65 Cb 1.10 0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 30.74 1ufz h VAL 65 CO 0.14 0.00 0.77 0.00 0.02 0.00 0.00 177.57 178.51 1ufz n GLN 66 N -5.34 -0.03 -0.11 1.57 1.13 -1.26 0.22 117.38 113.55 1ufz n GLN 66 Ca 0.05 1.14 -0.22 0.00 -1.94 0.00 0.00 57.00 56.03 1ufz n GLN 66 Cb 0.32 -2.24 -0.09 0.00 0.11 0.00 0.00 30.24 28.34 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 -0.32 -1.09 3.00 0.51 -3.58 118.16 112.68 1ufz n LYS 67 Ca 0.36 0.44 0.35 0.00 -0.00 0.00 0.00 58.31 59.47 1ufz n LYS 67 Cb 1.40 -1.64 0.74 0.00 0.00 0.00 0.00 35.03 35.54 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 -0.75 3.10 0.12 3.14 0.00 0.52 0.38 119.26 125.78 1ufz h ALA 68 Ca -0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1ufz h ALA 68 Cb 1.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ufz h ALA 68 CO -0.25 -1.44 -0.06 -0.07 0.00 0.00 0.00 179.25 177.43 1ufz h LEU 69 N 0.01 -0.14 -2.07 0.00 3.38 0.25 1.50 115.31 118.24 1ufz h LEU 69 Ca 0.57 -0.41 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1ufz h LEU 69 Cb 2.25 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 43.03 1ufz h LEU 69 CO -0.02 0.41 0.34 0.28 0.09 0.00 0.00 178.44 179.55 1ufz h SER 70 N -0.78 0.00 0.08 -0.43 0.02 -0.42 0.47 113.55 112.49 1ufz h SER 70 Ca -0.02 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.58 1ufz h SER 70 Cb 0.55 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1ufz h SER 70 CO 0.03 0.00 -1.95 0.52 -1.14 0.00 0.00 176.83 174.29 1ufz n VAL 71 N -3.88 1.69 0.24 2.27 0.31 0.16 -2.81 118.33 116.31 1ufz n VAL 71 Ca 0.06 -0.52 0.11 0.00 -0.01 0.00 0.00 64.34 63.98 1ufz n VAL 71 Cb 0.51 -1.76 0.53 0.00 -0.91 0.00 0.00 33.84 32.22 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 -3.66 1.01 -0.11 2.52 0.31 0.51 -0.37 118.33 118.53 1ufz n VAL 72 Ca -0.35 0.56 -0.24 0.00 -0.01 0.00 0.00 64.34 64.31 1ufz n VAL 72 Cb 0.97 -1.54 -0.11 0.00 -0.91 0.00 0.00 33.84 32.25 1ufz n VAL 72 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ufz n LEU 73 N -2.22 1.92 0.25 7.52 -0.00 0.15 -3.61 117.00 121.01 1ufz n LEU 73 Ca -0.00 0.39 0.17 0.00 -0.00 0.00 0.00 56.01 56.57 1ufz n LEU 73 Cb 0.10 -0.94 0.81 0.00 -0.00 0.00 0.00 43.42 43.39 1ufz n LEU 73 CO 0.13 0.37 1.00 1.05 -0.00 0.00 0.00 177.39 179.94 1ufz h GLU 74 N -0.95 0.00 0.02 1.47 4.11 -1.26 -2.35 114.58 115.62 1ufz h GLU 74 Ca -0.43 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.88 1ufz h GLU 74 Cb 1.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.67 1ufz h GLU 74 CO -0.25 0.00 -0.47 0.37 0.07 0.00 0.00 179.01 178.73 1ufz h GLN 75 N 0.00 0.29 -0.32 1.06 -0.00 -0.85 -0.91 115.11 114.37 1ufz h GLN 75 Ca 0.00 -0.33 0.09 0.00 -0.00 0.00 0.00 58.65 58.41 1ufz h GLN 75 Cb 0.22 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1ufz h GLN 75 CO 0.00 1.05 0.24 -0.44 0.00 0.00 0.00 178.83 179.68 1ufz h ASP 76 N -0.33 0.00 0.81 -0.69 5.19 -1.48 0.14 116.42 120.06 1ufz h ASP 76 Ca -0.06 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.14 1ufz h ASP 76 Cb 1.23 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.71 1ufz h ASP 76 CO 0.09 0.00 -1.29 1.23 -3.12 0.00 0.00 179.24 176.15 1ufz h GLY 77 N 0.00 0.00 0.64 2.75 0.00 -1.50 -3.35 103.07 101.61 1ufz h GLY 77 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1ufz h GLY 77 CO -0.00 0.00 -0.31 0.23 0.00 0.00 0.00 176.54 176.46 1ufz h SER 78 N 0.00 -0.73 -0.35 0.19 0.87 0.71 -3.30 113.55 110.95 1ufz h SER 78 Ca -0.15 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1ufz h SER 78 Cb 1.72 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 63.83 1ufz h SER 78 CO 0.07 -0.45 -0.20 0.61 -0.53 0.00 0.00 176.83 176.33 1ufz n GLY 79 N -0.90 -2.75 3.78 5.77 0.00 -0.62 -4.53 105.19 105.94 1ufz n GLY 79 Ca -0.11 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.92 0.52 -0.27 1.61 0.04 -1.24 -5.08 135.00 126.66 1ufz s PRO 80 Ca -0.04 0.05 -0.00 0.00 0.04 0.00 0.00 61.00 61.05 1ufz s PRO 80 Cb 0.04 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.93 1ufz s PRO 80 CO 0.21 -2.57 0.36 -1.12 0.04 0.00 0.00 177.00 173.92 1ufz s SER 81 N -4.20 0.69 0.33 6.66 0.01 -1.26 -4.85 113.70 111.08 1ufz s SER 81 Ca 0.68 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1ufz s SER 81 Cb -0.11 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.05 1ufz s SER 81 CO 0.54 -0.34 0.00 -1.20 0.41 0.00 0.00 173.24 172.64 1ufz n SER 82 N 5.35 -5.51 0.00 2.44 7.64 -1.26 -5.22 113.62 117.05 1ufz n SER 82 Ca -0.02 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1ufz n SER 82 Cb 0.49 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.64 1ufz n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64