#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 5.67 0.20 1.61 0.01 -1.26 -4.83 113.70 115.10 1ufz s SER 2 Ca 0.00 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1ufz s SER 2 Cb 0.00 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.23 1ufz s SER 2 CO 0.00 -0.47 0.00 -0.24 0.41 0.00 0.00 173.24 172.94 1ufz n SER 3 N 4.95 0.24 0.09 2.44 2.88 -1.26 -4.96 113.62 118.00 1ufz n SER 3 Ca -0.11 0.34 -0.04 0.00 -1.33 0.00 0.00 58.87 57.73 1ufz n SER 3 Cb 0.44 0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 64.03 1ufz n SER 3 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ufz h GLY 4 N 0.00 -0.26 -5.65 0.46 0.00 -2.07 -3.49 103.07 92.06 1ufz h GLY 4 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ufz h GLY 4 CO 0.00 -0.09 -0.85 1.44 0.00 0.00 0.00 176.54 177.04 1ufz n SER 5 N -3.13 -4.95 -3.17 0.19 7.64 -1.26 -5.03 113.62 103.91 1ufz n SER 5 Ca -0.03 1.08 0.03 0.00 1.01 0.00 0.00 58.87 60.96 1ufz n SER 5 Cb 0.10 -3.37 -0.01 0.00 -1.01 0.00 0.00 64.21 59.92 1ufz n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ufz s SER 6 N -0.59 -1.35 0.18 6.43 1.04 -1.26 -4.81 113.70 113.33 1ufz s SER 6 Ca -0.10 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1ufz s SER 6 Cb 0.01 1.97 0.00 0.00 0.10 0.00 0.00 66.02 68.10 1ufz s SER 6 CO 0.39 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1ufz n GLY 7 N 5.42 1.10 0.35 7.32 0.00 -1.26 -4.44 105.19 113.67 1ufz n GLY 7 Ca 0.03 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.01 1.61 4.11 -1.99 0.65 114.58 118.97 1ufz h GLU 8 Ca 0.00 -0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1ufz h GLU 8 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1ufz h GLU 8 CO 0.00 0.00 -0.14 1.88 0.07 0.00 0.00 179.01 180.82 1ufz h TYR 9 N 0.00 -0.35 0.66 2.06 0.05 -1.94 -2.27 116.97 115.18 1ufz h TYR 9 Ca 0.60 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.36 1ufz h TYR 9 Cb 1.21 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 39.10 1ufz h TYR 9 CO -0.53 -0.20 -0.46 0.78 -1.05 0.00 0.00 178.16 176.70 1ufz h GLY 10 N -0.23 -1.22 -0.95 3.88 0.00 -0.12 -2.83 103.07 101.60 1ufz h GLY 10 Ca 0.04 0.52 0.17 0.00 0.00 0.00 0.00 47.33 48.07 1ufz h GLY 10 CO -0.13 -0.41 -0.31 2.98 0.00 0.00 0.00 176.54 178.68 1ufz n TYR 11 N -5.58 0.18 -0.13 5.60 4.19 0.15 -0.16 117.16 121.41 1ufz n TYR 11 Ca -0.13 1.17 -0.13 0.00 3.31 0.00 0.00 57.90 62.11 1ufz n TYR 11 Cb 0.47 -0.95 -0.09 0.00 0.49 0.00 0.00 39.34 39.26 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 -0.38 -0.41 2.98 4.57 -1.16 0.55 114.58 120.72 1ufz h GLU 12 Ca 0.39 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.68 1ufz h GLU 12 Cb 0.63 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.21 1ufz h GLU 12 CO -0.96 -0.26 -0.36 -0.44 -1.18 0.00 0.00 179.01 175.81 1ufz h ASP 13 N -0.40 -1.21 -0.31 1.04 5.19 -0.43 -0.11 116.42 120.19 1ufz h ASP 13 Ca 0.08 0.20 0.07 0.00 -0.62 0.00 0.00 57.03 56.77 1ufz h ASP 13 Cb 0.60 0.55 -0.08 0.00 0.18 0.00 0.00 39.33 40.59 1ufz h ASP 13 CO -0.59 -0.34 -0.24 -0.07 -3.12 0.00 0.00 179.24 174.89 1ufz h LEU 14 N -0.28 -0.77 -9.06 1.55 4.07 -0.16 -3.42 115.31 107.25 1ufz h LEU 14 Ca 0.16 0.15 -0.73 0.00 0.08 0.00 0.00 57.88 57.54 1ufz h LEU 14 Cb 0.56 0.38 0.07 0.00 1.08 0.00 0.00 40.66 42.75 1ufz h LEU 14 CO -0.56 -0.27 -0.04 -1.14 -1.08 0.00 0.00 178.44 175.35 1ufz n ARG 15 N -5.38 0.22 -0.82 1.13 0.00 0.18 -4.89 116.66 107.09 1ufz n ARG 15 Ca 0.00 0.08 -0.29 0.00 -0.00 0.00 0.00 57.85 57.64 1ufz n ARG 15 Cb 0.29 -1.46 0.21 0.00 0.00 0.00 0.00 32.46 31.51 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 -0.28 -0.15 -0.16 -0.14 2.02 -1.26 -4.96 118.70 113.77 1ufz s GLU 16 Ca 0.81 0.78 0.01 0.00 0.02 0.00 0.00 54.97 56.60 1ufz s GLU 16 Cb -1.11 -1.65 0.01 0.00 0.10 0.00 0.00 34.13 31.48 1ufz s GLU 16 CO 0.56 -3.19 -0.17 -1.54 0.02 0.00 0.00 175.26 170.93 1ufz s SER 17 N -2.92 3.44 -0.09 -0.19 1.04 -1.26 -4.98 113.70 108.74 1ufz s SER 17 Ca 0.67 -0.54 -0.04 0.00 0.48 0.00 0.00 55.95 56.52 1ufz s SER 17 Cb -0.22 -1.52 -0.01 0.00 0.10 0.00 0.00 66.02 64.36 1ufz s SER 17 CO 0.61 0.06 -0.09 -1.28 0.98 0.00 0.00 173.24 173.53 1ufz h SER 18 N 7.49 0.00 0.00 7.02 0.87 -1.97 -3.49 113.55 123.47 1ufz h SER 18 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1ufz h SER 18 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1ufz h SER 18 CO 0.58 0.47 0.00 -3.20 -0.53 0.00 0.00 176.83 174.15 1ufz n ASN 19 N -3.92 0.00 0.22 6.23 2.85 -1.26 -4.99 115.26 114.39 1ufz n ASN 19 Ca -0.03 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.29 1ufz n ASN 19 Cb 0.13 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.06 1ufz n ASN 19 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1ufz h SER 20 N 0.00 -0.45 0.13 1.20 0.87 -1.99 -1.27 113.55 112.03 1ufz h SER 20 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1ufz h SER 20 Cb 0.00 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1ufz h SER 20 CO 0.00 -0.19 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.73 1ufz h LEU 21 N -0.71 -0.92 -0.97 2.23 3.38 -1.98 0.77 115.31 117.12 1ufz h LEU 21 Ca -0.05 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1ufz h LEU 21 Cb 0.50 0.33 -0.16 0.00 0.09 0.00 0.00 40.66 41.42 1ufz h LEU 21 CO 0.09 -0.35 -0.37 0.25 0.09 0.00 0.00 178.44 178.15 1ufz h LEU 22 N -0.48 -1.36 -0.02 1.67 6.46 -1.94 0.32 115.31 119.96 1ufz h LEU 22 Ca -0.01 0.30 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 1ufz h LEU 22 Cb 0.47 0.73 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 1ufz h LEU 22 CO -0.14 -0.29 -0.45 0.78 -0.62 0.00 0.00 178.44 177.72 1ufz h ASN 23 N -0.01 -1.38 -0.72 1.25 4.21 -0.50 -0.02 115.58 118.40 1ufz h ASN 23 Ca 0.35 0.16 0.14 0.00 1.21 0.00 0.00 56.30 58.16 1ufz h ASN 23 Cb 0.61 0.53 -0.14 0.00 -1.12 0.00 0.00 38.32 38.20 1ufz h ASN 23 CO -0.97 -0.43 -0.21 -0.74 -1.29 0.00 0.00 177.43 173.79 1ufz h HIS 24 N -0.55 -0.48 -0.37 1.19 -0.00 0.18 0.11 115.15 115.23 1ufz h HIS 24 Ca 0.01 0.07 0.08 0.00 -0.00 0.00 0.00 60.37 60.53 1ufz h HIS 24 Cb 0.59 0.32 -0.09 0.00 -0.00 0.00 0.00 27.41 28.24 1ufz h HIS 24 CO -0.50 -0.33 -0.32 0.37 -0.00 0.00 0.00 177.93 177.15 1ufz h GLN 25 N -0.02 -0.25 -4.61 5.26 4.15 0.74 -3.48 115.11 116.90 1ufz h GLN 25 Ca 0.34 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1ufz h GLN 25 Cb 0.54 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.22 1ufz h GLN 25 CO -0.75 -0.17 -1.09 1.28 -1.93 0.00 0.00 178.83 176.17 1ufz n LEU 26 N -5.41 -5.85 -4.21 -2.39 4.77 0.38 -4.85 117.00 99.45 1ufz n LEU 26 Ca 0.01 1.58 -0.38 0.00 -0.03 0.00 0.00 56.01 57.18 1ufz n LEU 26 Cb 0.33 -2.84 0.02 0.00 -2.33 0.00 0.00 43.42 38.61 1ufz n LEU 26 CO 0.08 -2.97 -0.75 -1.20 -1.33 0.00 0.00 177.39 171.22 1ufz n SER 27 N 1.05 -4.02 -0.40 -1.43 7.64 -1.26 -3.65 113.62 111.54 1ufz n SER 27 Ca -0.21 0.54 -0.07 0.00 1.01 0.00 0.00 58.87 60.14 1ufz n SER 27 Cb 0.33 -0.86 -0.05 0.00 -1.01 0.00 0.00 64.21 62.62 1ufz n SER 27 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ufz h GLU 28 N -0.26 -0.01 0.31 1.43 4.22 -1.99 0.71 114.58 118.99 1ufz h GLU 28 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1ufz h GLU 28 Cb 1.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1ufz h GLU 28 CO 0.38 -0.01 -0.51 0.82 -2.18 0.00 0.00 179.01 177.51 1ufz h ILE 29 N -0.01 0.02 -0.24 2.32 2.04 -2.00 -0.76 117.51 118.88 1ufz h ILE 29 Ca 0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.11 1ufz h ILE 29 Cb 0.48 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1ufz h ILE 29 CO -0.95 0.00 -0.28 0.44 0.00 0.00 0.00 178.15 177.36 1ufz h ASP 30 N -0.87 -0.94 -0.72 1.72 5.19 -1.17 -1.58 116.42 118.04 1ufz h ASP 30 Ca -0.03 0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1ufz h ASP 30 Cb 0.81 0.39 -0.09 0.00 0.18 0.00 0.00 39.33 40.63 1ufz h ASP 30 CO -0.18 -0.19 -0.43 0.00 -3.12 0.00 0.00 179.24 175.33 1ufz n GLN 31 N -4.03 -0.32 -0.13 3.56 6.02 0.22 -0.83 117.38 121.88 1ufz n GLN 31 Ca -0.01 1.28 -0.03 0.00 -0.01 0.00 0.00 57.00 58.22 1ufz n GLN 31 Cb 0.16 -1.88 -0.03 0.00 1.02 0.00 0.00 30.24 29.51 1ufz n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ufz n ALA 32 N -3.24 -0.20 -0.33 -1.58 0.00 -0.31 0.22 120.51 115.08 1ufz n ALA 32 Ca 0.01 0.26 0.26 0.00 0.00 0.00 0.00 53.44 53.98 1ufz n ALA 32 Cb 0.19 0.25 0.50 0.00 0.00 0.00 0.00 19.45 20.39 1ufz n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ufz h ARG 33 N 0.00 0.15 -0.09 0.00 3.08 -0.24 1.06 114.38 118.34 1ufz h ARG 33 Ca 0.05 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1ufz h ARG 33 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ufz h ARG 33 CO -0.29 0.10 -0.28 1.25 -1.07 0.00 0.00 179.97 179.68 1ufz h LEU 34 N 0.16 0.40 -1.34 3.04 6.46 0.34 -3.14 115.31 121.23 1ufz h LEU 34 Ca 0.77 -0.61 0.08 0.00 -0.12 0.00 0.00 57.88 57.99 1ufz h LEU 34 Cb 1.86 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.62 1ufz h LEU 34 CO -0.70 0.94 0.51 1.88 -0.62 0.00 0.00 178.44 180.44 1ufz h TYR 35 N -0.11 0.81 0.00 1.25 -1.99 1.01 0.63 116.97 118.57 1ufz h TYR 35 Ca -0.01 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1ufz h TYR 35 Cb 0.90 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 1ufz h TYR 35 CO 0.12 0.41 -0.04 1.03 -0.00 0.00 0.00 178.16 179.67 1ufz h SER 36 N 0.78 0.00 0.03 3.88 0.87 0.30 -2.61 113.55 116.80 1ufz h SER 36 Ca 0.34 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.55 1ufz h SER 36 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1ufz h SER 36 CO -0.12 0.04 -1.99 0.00 -0.53 0.00 0.00 176.83 174.23 1ufz n LEU 38 N -3.96 0.00 -0.22 0.00 7.99 0.19 -0.13 117.00 120.87 1ufz n LEU 38 Ca -0.41 0.88 -0.06 0.00 -0.01 0.00 0.00 56.01 56.42 1ufz n LEU 38 Cb 0.88 -0.41 -0.05 0.00 -0.11 0.00 0.00 43.42 43.73 1ufz n LEU 38 CO 0.22 -0.41 0.37 -0.67 -1.51 0.00 0.00 177.39 175.39 1ufz n ASP 39 N -2.66 -0.55 0.00 -1.43 2.03 -1.04 0.34 116.55 113.23 1ufz n ASP 39 Ca 0.00 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.47 1ufz n ASP 39 Cb 0.00 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 -4.25 0.00 0.20 -0.67 -0.00 -0.10 0.90 115.22 111.31 1ufz n HIS 40 Ca 0.01 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.31 1ufz n HIS 40 Cb 0.13 -0.49 0.64 0.00 -0.12 0.00 0.00 29.99 30.16 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 0.18 1.57 1.85 0.15 -1.67 114.93 117.01 1ufz h MET 41 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1ufz h MET 41 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1ufz h MET 41 CO 0.00 0.00 -0.09 -0.09 -0.40 0.00 0.00 176.91 176.33 1ufz h ARG 42 N 0.00 -0.23 0.00 0.39 2.43 1.23 0.30 114.38 118.49 1ufz h ARG 42 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ufz h ARG 42 Cb 0.22 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1ufz h ARG 42 CO 0.00 0.19 0.14 1.49 -1.51 0.00 0.00 179.97 180.28 1ufz h GLU 43 N -0.83 0.00 0.00 0.20 4.57 0.30 2.19 114.58 121.01 1ufz h GLU 43 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1ufz h GLU 43 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1ufz h GLU 43 CO 0.04 0.00 0.00 0.28 -1.18 0.00 0.00 179.01 178.15 1ufz n VAL 44 N -2.28 0.00 -0.06 0.32 0.31 -1.13 -4.71 118.33 110.77 1ufz n VAL 44 Ca -0.01 0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 64.49 1ufz n VAL 44 Cb 0.17 -1.13 -0.15 0.00 -0.91 0.00 0.00 33.84 31.83 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 -1.80 1.05 -0.44 7.52 4.32 0.04 -4.25 117.00 123.43 1ufz n LEU 45 Ca 0.00 0.15 0.35 0.00 -0.02 0.00 0.00 56.01 56.49 1ufz n LEU 45 Cb 0.00 -0.01 0.57 0.00 -1.62 0.00 0.00 43.42 42.35 1ufz n LEU 45 CO 0.00 0.57 1.02 0.61 -1.22 0.00 0.00 177.39 178.37 1ufz n GLY 46 N 1.79 -0.69 0.42 -0.72 0.00 0.73 0.89 105.19 107.60 1ufz n GLY 46 Ca -0.29 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.10 0.00 1.61 1.82 -1.43 -3.32 116.42 113.00 1ufz h ASP 47 Ca 0.70 0.31 -0.18 0.00 -0.39 0.00 0.00 57.03 57.47 1ufz h ASP 47 Cb 2.48 0.91 -0.03 0.00 0.68 0.00 0.00 39.33 43.37 1ufz h ASP 47 CO -0.23 -0.26 -1.66 0.00 -1.61 0.00 0.00 179.24 175.48 1ufz n ALA 48 N -3.21 1.92 -1.80 -0.78 0.00 0.13 -5.00 120.51 111.76 1ufz n ALA 48 Ca 0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 1ufz n ALA 48 Cb 0.27 0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.23 2.33 0.00 0.00 1.01 0.26 -5.01 120.40 116.76 1ufz s VAL 49 Ca -0.16 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1ufz s VAL 49 Cb 0.05 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1ufz s VAL 49 CO 0.25 0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.59 1ufz n PRO 50 N 1.49 0.67 -0.11 2.72 -0.04 -1.26 -3.62 135.00 134.85 1ufz n PRO 50 Ca 0.04 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 1ufz n PRO 50 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.74 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 -0.66 1.88 -0.12 3.54 9.92 -1.26 -4.13 116.55 125.74 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 39.52 1ufz n ASP 51 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ufz n ASP 52 N -4.39 -0.30 -0.33 -2.24 2.03 -1.26 0.21 116.55 110.27 1ufz n ASP 52 Ca -0.38 1.13 0.20 0.00 0.52 0.00 0.00 54.79 56.26 1ufz n ASP 52 Cb 0.73 -0.38 0.39 0.00 -0.72 0.00 0.00 41.12 41.14 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 -3.60 -0.41 -0.04 5.18 5.41 -1.26 0.16 119.36 124.80 1ufz n ILE 53 Ca 0.01 2.12 -0.13 0.00 1.00 0.00 0.00 62.75 65.74 1ufz n ILE 53 Cb 0.07 -3.20 -0.08 0.00 -0.71 0.00 0.00 39.64 35.72 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 0.21 -0.05 1.39 3.38 0.16 -2.29 115.31 118.12 1ufz h LEU 54 Ca 0.68 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1ufz h LEU 54 Cb 1.56 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.19 1ufz h LEU 54 CO -0.87 0.63 -0.42 0.74 0.09 0.00 0.00 178.44 178.60 1ufz h THR 55 N -0.21 0.15 0.10 0.22 2.02 1.21 0.54 112.91 116.94 1ufz h THR 55 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1ufz h THR 55 Cb 0.56 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1ufz h THR 55 CO 0.02 0.00 -0.35 -0.33 0.37 0.00 0.00 175.52 175.23 1ufz h GLU 56 N -0.55 -0.50 -0.85 6.66 5.08 -0.18 0.39 114.58 124.63 1ufz h GLU 56 Ca 0.06 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.67 1ufz h GLU 56 Cb 0.64 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 1ufz h GLU 56 CO -0.35 -0.33 0.23 0.00 -1.00 0.00 0.00 179.01 177.57 1ufz h ALA 57 N -0.91 1.22 0.12 3.43 0.00 -1.15 0.61 119.26 122.58 1ufz h ALA 57 Ca -0.01 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ufz h ALA 57 Cb 0.51 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ufz h ALA 57 CO -0.18 -0.43 -0.17 0.82 0.00 0.00 0.00 179.25 179.29 1ufz h ILE 58 N 0.24 0.61 0.00 0.00 2.04 0.13 0.18 117.51 120.71 1ufz h ILE 58 Ca 0.52 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.38 1ufz h ILE 58 Cb 1.02 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1ufz h ILE 58 CO -0.62 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.71 1ufz n LEU 59 N -5.30 0.44 0.06 1.44 4.77 0.13 -0.14 117.00 118.41 1ufz n LEU 59 Ca -0.07 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 1ufz n LEU 59 Cb 0.21 -0.65 0.32 0.00 -2.33 0.00 0.00 43.42 40.97 1ufz n LEU 59 CO 0.29 -0.66 0.63 1.17 -1.33 0.00 0.00 177.39 177.49 1ufz n LYS 60 N -2.04 0.21 -1.26 3.23 3.00 0.18 -3.72 118.16 117.76 1ufz n LYS 60 Ca 0.01 0.11 0.04 0.00 -0.00 0.00 0.00 58.31 58.47 1ufz n LYS 60 Cb 0.12 -1.69 0.05 0.00 0.00 0.00 0.00 35.03 33.51 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 -2.02 0.00 -3.26 5.64 8.25 0.81 -5.04 115.22 119.60 1ufz n HIS 61 Ca 0.05 -0.60 -0.35 0.00 -0.26 0.00 0.00 57.72 56.55 1ufz n HIS 61 Cb 0.41 -0.15 0.03 0.00 1.12 0.00 0.00 29.99 31.40 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 0.20 -1.71 -3.15 -0.41 4.81 0.62 -3.53 118.16 114.99 1ufz n LYS 62 Ca 0.07 1.25 -0.00 0.00 -0.87 0.00 0.00 58.31 58.76 1ufz n LYS 62 Cb 1.04 -1.78 -0.00 0.00 0.02 0.00 0.00 35.03 34.31 1ufz n LYS 62 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ufz n PHE 63 N -0.22 -0.01 -2.70 5.64 3.01 -0.49 -4.97 117.46 117.72 1ufz n PHE 63 Ca -0.09 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.32 1ufz n PHE 63 Cb 0.61 -1.01 0.10 0.00 -0.01 0.00 0.00 39.48 39.17 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 1.77 -1.80 -0.40 4.37 2.03 -1.23 -4.99 116.55 116.29 1ufz n ASP 64 Ca -0.00 -2.66 0.33 0.00 0.52 0.00 0.00 54.79 52.98 1ufz n ASP 64 Cb 0.31 1.45 0.60 0.00 -0.72 0.00 0.00 41.12 42.76 1ufz n ASP 64 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1ufz h VAL 65 N 1.73 0.20 -0.99 5.18 3.04 -1.92 1.88 116.25 125.37 1ufz h VAL 65 Ca -0.21 -0.05 0.14 0.00 -1.01 0.00 0.00 66.70 65.56 1ufz h VAL 65 Cb 1.16 0.03 -0.09 0.00 -2.01 0.00 0.00 31.29 30.38 1ufz h VAL 65 CO 0.06 0.03 0.62 0.06 -1.01 0.00 0.00 177.57 177.33 1ufz h GLN 66 N 0.16 0.89 0.00 4.17 -0.00 -1.98 2.29 115.11 120.63 1ufz h GLN 66 Ca 0.77 -0.05 -0.20 0.00 -0.00 0.00 0.00 58.65 59.17 1ufz h GLN 66 Cb 2.27 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.48 29.51 1ufz h GLN 66 CO -0.44 0.59 -1.66 1.17 -0.00 0.00 0.00 178.83 178.49 1ufz n LYS 67 N -4.64 0.64 0.21 0.06 0.00 0.57 -3.63 118.16 111.37 1ufz n LYS 67 Ca 0.20 0.15 0.09 0.00 0.00 0.00 0.00 58.31 58.75 1ufz n LYS 67 Cb 0.41 -1.73 0.31 0.00 0.00 0.00 0.00 35.03 34.02 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 1.37 0.92 -0.02 3.14 0.00 0.19 -3.04 119.26 121.82 1ufz h ALA 68 Ca -0.22 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1ufz h ALA 68 Cb 1.68 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1ufz h ALA 68 CO 0.04 0.29 -0.46 -0.07 0.00 0.00 0.00 179.25 179.05 1ufz h LEU 69 N 0.00 0.44 -2.04 0.00 3.38 0.37 1.07 115.31 118.52 1ufz h LEU 69 Ca -0.00 -0.73 0.07 0.00 0.09 0.00 0.00 57.88 57.31 1ufz h LEU 69 Cb 0.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1ufz h LEU 69 CO 0.03 1.12 0.19 0.28 0.09 0.00 0.00 178.44 180.15 1ufz h SER 70 N -0.19 0.00 0.00 -0.43 0.02 -1.61 0.81 113.55 112.16 1ufz h SER 70 Ca -0.05 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.61 1ufz h SER 70 Cb 1.17 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 1ufz h SER 70 CO 0.09 0.00 -1.59 0.52 -1.14 0.00 0.00 176.83 174.71 1ufz n VAL 71 N -4.35 1.54 -0.06 2.27 0.31 -1.16 -2.17 118.33 114.72 1ufz n VAL 71 Ca 0.03 -0.14 0.18 0.00 -0.01 0.00 0.00 64.34 64.41 1ufz n VAL 71 Cb 0.35 -1.99 0.62 0.00 -0.91 0.00 0.00 33.84 31.90 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 -0.95 0.76 0.00 2.52 2.07 0.16 0.58 116.25 121.39 1ufz h VAL 72 Ca -0.44 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1ufz h VAL 72 Cb 1.41 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1ufz h VAL 72 CO -0.25 0.03 -0.29 -0.07 0.02 0.00 0.00 177.57 177.01 1ufz h LEU 73 N 0.16 0.00 -0.80 2.57 3.38 0.50 -2.54 115.31 118.58 1ufz h LEU 73 Ca 0.29 -0.77 0.15 0.00 0.09 0.00 0.00 57.88 57.64 1ufz h LEU 73 Cb 0.94 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 1ufz h LEU 73 CO -0.05 1.05 0.37 -0.08 0.09 0.00 0.00 178.44 179.83 1ufz h GLU 74 N -1.00 0.51 0.64 1.13 4.81 -0.81 1.22 114.58 121.08 1ufz h GLU 74 Ca -0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1ufz h GLU 74 Cb 0.96 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1ufz h GLU 74 CO -0.05 0.34 -0.31 1.96 -0.73 0.00 0.00 179.01 180.23 1ufz h GLN 75 N 0.53 -0.83 -0.52 1.92 1.08 0.00 -2.80 115.11 114.49 1ufz h GLN 75 Ca 0.44 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.80 1ufz h GLN 75 Cb 0.65 0.19 -0.09 0.00 -0.05 0.00 0.00 27.48 28.18 1ufz h GLN 75 CO -0.38 -0.55 -0.01 0.22 -0.95 0.00 0.00 178.83 177.15 1ufz h ASP 76 N -1.17 -0.25 -1.09 1.46 1.82 -1.03 0.41 116.42 116.58 1ufz h ASP 76 Ca -0.09 0.13 0.32 0.00 -0.39 0.00 0.00 57.03 57.00 1ufz h ASP 76 Cb 0.66 0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 1ufz h ASP 76 CO 0.14 -0.09 0.79 1.23 -1.61 0.00 0.00 179.24 179.71 1ufz h GLY 77 N 0.10 0.00 0.54 -0.78 0.00 0.15 0.41 103.07 103.49 1ufz h GLY 77 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.69 1ufz h GLY 77 CO -0.45 0.00 0.51 0.23 0.00 0.00 0.00 176.54 176.83 1ufz h SER 78 N 0.00 0.74 0.00 0.19 0.87 0.12 -3.03 113.55 112.44 1ufz h SER 78 Ca 0.52 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1ufz h SER 78 Cb 2.10 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 1ufz h SER 78 CO -0.01 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.33 1ufz n GLY 79 N -1.33 -2.97 2.95 5.77 0.00 0.14 -2.94 105.19 106.82 1ufz n GLY 79 Ca 0.14 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 1ufz n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ufz n PRO 80 N -2.26 2.15 -2.00 1.61 -0.04 -1.14 -4.92 135.00 128.40 1ufz n PRO 80 Ca 0.00 -2.23 -0.43 0.00 -0.04 0.00 0.00 63.50 60.80 1ufz n PRO 80 Cb 0.00 -3.12 -0.03 0.00 -0.04 0.00 0.00 33.50 30.32 1ufz n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ufz s SER 81 N 4.21 6.47 -0.35 3.54 0.15 -1.15 -4.92 113.70 121.65 1ufz s SER 81 Ca 0.53 2.02 0.04 0.00 0.70 0.00 0.00 55.95 59.24 1ufz s SER 81 Cb 0.14 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 62.10 1ufz s SER 81 CO 0.02 -1.12 0.70 -0.55 1.20 0.00 0.00 173.24 173.50 1ufz s SER 82 N 4.04 -1.34 0.00 5.45 0.15 -1.26 -5.17 113.70 115.58 1ufz s SER 82 Ca 0.75 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.09 1ufz s SER 82 Cb -0.31 1.75 0.20 0.00 -1.71 0.00 0.00 66.02 65.95 1ufz s SER 82 CO 0.30 -0.19 0.68 0.61 1.20 0.00 0.00 173.24 175.85