#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 7.33 -0.25 1.61 0.15 -1.26 -5.03 113.70 116.25 1ufz s SER 2 Ca 0.00 1.60 -0.21 0.00 0.70 0.00 0.00 55.95 58.05 1ufz s SER 2 Cb 0.00 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.84 1ufz s SER 2 CO 0.00 -0.17 0.66 -0.44 1.20 0.00 0.00 173.24 174.49 1ufz s SER 3 N 0.64 -0.74 0.00 5.45 0.01 -1.26 -5.17 113.70 112.63 1ufz s SER 3 Ca 0.47 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1ufz s SER 3 Cb -0.21 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.36 1ufz s SER 3 CO 0.27 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1ufz n GLY 4 N 3.14 3.52 3.91 3.44 0.00 -1.26 -5.17 105.19 112.77 1ufz n GLY 4 Ca -0.16 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 1ufz n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufz s SER 5 N 0.04 6.05 0.32 1.61 0.01 -1.26 -4.97 113.70 115.51 1ufz s SER 5 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1ufz s SER 5 Cb 0.00 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1ufz s SER 5 CO 0.00 -0.03 0.00 -0.24 0.41 0.00 0.00 173.24 173.38 1ufz n SER 6 N -1.10 -2.86 -1.22 2.44 2.88 -1.26 -5.09 113.62 107.41 1ufz n SER 6 Ca -0.08 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1ufz n SER 6 Cb 0.56 2.80 0.00 0.00 -0.75 0.00 0.00 64.21 66.83 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 -1.35 0.08 0.10 0.46 0.00 -1.26 -4.92 105.19 98.30 1ufz n GLY 7 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 0.20 -0.89 1.61 4.11 -1.98 -2.51 114.58 115.12 1ufz h GLU 8 Ca 0.00 -0.08 0.14 0.00 0.07 0.00 0.00 59.36 59.49 1ufz h GLU 8 Cb 0.82 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.91 1ufz h GLU 8 CO 0.00 0.51 -0.35 0.66 0.07 0.00 0.00 179.01 179.91 1ufz n TYR 9 N -4.76 0.03 0.32 2.06 4.01 -1.26 0.21 117.16 117.77 1ufz n TYR 9 Ca -0.06 1.10 -0.13 0.00 -0.16 0.00 0.00 57.90 58.65 1ufz n TYR 9 Cb 0.24 -0.84 -0.06 0.00 -0.31 0.00 0.00 39.34 38.37 1ufz n TYR 9 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ufz h GLY 10 N 0.00 -0.88 -0.94 2.72 0.00 -1.95 -0.26 103.07 101.76 1ufz h GLY 10 Ca 0.31 0.32 0.18 0.00 0.00 0.00 0.00 47.33 48.15 1ufz h GLY 10 CO -0.89 -0.32 -0.25 2.98 0.00 0.00 0.00 176.54 178.06 1ufz n TYR 11 N -5.09 0.29 0.31 5.60 9.36 -0.44 0.26 117.16 127.45 1ufz n TYR 11 Ca -0.10 1.15 -0.15 0.00 3.32 0.00 0.00 57.90 62.12 1ufz n TYR 11 Cb 0.33 -1.02 -0.07 0.00 -0.63 0.00 0.00 39.34 37.95 1ufz n TYR 11 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1ufz h GLU 12 N 0.00 -0.79 -0.96 2.98 4.22 -0.25 -2.08 114.58 117.71 1ufz h GLU 12 Ca 0.43 0.05 0.27 0.00 0.08 0.00 0.00 59.36 60.20 1ufz h GLU 12 Cb 0.67 0.18 -0.17 0.00 0.50 0.00 0.00 28.75 29.92 1ufz h GLU 12 CO -0.96 -0.48 0.12 0.22 -2.18 0.00 0.00 179.01 175.73 1ufz h ASP 13 N -1.10 -0.31 0.15 1.04 3.58 0.97 0.84 116.42 121.59 1ufz h ASP 13 Ca -0.08 0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1ufz h ASP 13 Cb 0.67 0.42 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1ufz h ASP 13 CO 0.14 -0.32 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.00 1ufz h LEU 14 N 0.05 -0.29 0.00 2.28 -0.00 -0.08 -3.47 115.31 113.80 1ufz h LEU 14 Ca 0.61 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.51 1ufz h LEU 14 Cb 1.29 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1ufz h LEU 14 CO -0.85 -0.18 0.00 -2.11 -0.00 0.00 0.00 178.44 175.31 1ufz n ARG 15 N -5.23 0.00 -3.77 1.13 1.85 0.29 -4.81 116.66 106.11 1ufz n ARG 15 Ca -0.08 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.52 1ufz n ARG 15 Cb 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.56 1ufz n ARG 15 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1ufz n GLU 16 N -0.42 -1.44 0.00 2.89 1.02 -1.26 -4.94 120.64 116.48 1ufz n GLU 16 Ca 0.00 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1ufz n GLU 16 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 1ufz n GLU 16 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ufz n SER 17 N -2.51 0.00 -0.06 1.62 2.88 -1.26 -5.08 113.62 109.21 1ufz n SER 17 Ca -0.31 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.20 1ufz n SER 17 Cb 0.67 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.11 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 -4.93 -3.46 0.87 -2.03 -3.50 113.55 100.50 1ufz h SER 18 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1ufz h SER 18 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1ufz h SER 18 CO 0.00 0.62 -1.08 -3.20 -0.53 0.00 0.00 176.83 172.63 1ufz n ASN 19 N -4.73 -4.59 -0.34 6.23 5.15 -1.26 -4.06 115.26 111.66 1ufz n ASN 19 Ca -0.03 1.50 -0.01 0.00 -0.60 0.00 0.00 54.58 55.44 1ufz n ASN 19 Cb 0.11 -4.59 0.04 0.00 -0.53 0.00 0.00 39.78 34.82 1ufz n ASN 19 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1ufz h SER 20 N 4.29 -1.30 -0.71 1.20 0.87 -1.99 0.23 113.55 116.15 1ufz h SER 20 Ca -0.25 0.29 0.08 0.00 -1.23 0.00 0.00 61.79 60.68 1ufz h SER 20 Cb 0.56 0.69 -0.11 0.00 -0.44 0.00 0.00 62.40 63.11 1ufz h SER 20 CO 0.00 -0.29 -0.54 -0.07 -0.53 0.00 0.00 176.83 175.40 1ufz h LEU 21 N -0.04 -1.89 -0.65 2.23 4.07 -1.98 1.52 115.31 118.57 1ufz h LEU 21 Ca 0.33 0.28 0.11 0.00 0.08 0.00 0.00 57.88 58.69 1ufz h LEU 21 Cb 0.60 0.83 -0.12 0.00 1.08 0.00 0.00 40.66 43.04 1ufz h LEU 21 CO -0.92 -0.32 -0.35 -0.07 -1.08 0.00 0.00 178.44 175.71 1ufz h LEU 22 N -0.18 -1.23 -0.55 1.67 -0.00 -0.75 0.50 115.31 114.76 1ufz h LEU 22 Ca 0.15 0.24 0.01 0.00 -0.00 0.00 0.00 57.88 58.28 1ufz h LEU 22 Cb 0.52 0.61 -0.03 0.00 -0.00 0.00 0.00 40.66 41.76 1ufz h LEU 22 CO -0.78 -0.30 0.36 -1.13 -0.00 0.00 0.00 178.44 176.59 1ufz h ASN 23 N -0.14 0.61 0.02 -0.43 -0.73 0.17 0.44 115.58 115.52 1ufz h ASN 23 Ca 0.25 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1ufz h ASN 23 Cb 0.56 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1ufz h ASN 23 CO -0.73 0.44 -0.05 -0.74 -0.37 0.00 0.00 177.43 175.98 1ufz h HIS 24 N 0.73 -0.15 -0.11 0.67 2.76 0.64 -0.75 115.15 118.94 1ufz h HIS 24 Ca 0.21 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 1ufz h HIS 24 Cb -0.06 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1ufz h HIS 24 CO -0.04 -0.06 0.16 -0.56 -1.30 0.00 0.00 177.93 176.13 1ufz h GLN 25 N -0.08 0.00 -4.20 5.26 3.07 -0.31 -3.47 115.11 115.38 1ufz h GLN 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1ufz h GLN 25 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1ufz h GLN 25 CO -0.03 0.00 -0.83 1.28 0.09 0.00 0.00 178.83 179.35 1ufz n LEU 26 N -3.58 -5.84 -4.31 0.06 4.77 0.15 -4.84 117.00 103.41 1ufz n LEU 26 Ca -0.00 2.49 -0.42 0.00 -0.03 0.00 0.00 56.01 58.05 1ufz n LEU 26 Cb 0.26 -2.89 -0.00 0.00 -2.33 0.00 0.00 43.42 38.46 1ufz n LEU 26 CO 0.25 -2.27 -0.39 -1.54 -1.33 0.00 0.00 177.39 172.11 1ufz n SER 27 N 1.56 -2.68 -0.26 -1.43 3.41 -1.23 -4.24 113.62 108.76 1ufz n SER 27 Ca 0.00 0.82 0.06 0.00 -0.26 0.00 0.00 58.87 59.49 1ufz n SER 27 Cb 0.00 -0.91 0.19 0.00 -0.26 0.00 0.00 64.21 63.23 1ufz n SER 27 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1ufz h GLU 28 N 0.36 0.20 -0.01 4.33 4.11 -1.95 0.23 114.58 121.85 1ufz h GLU 28 Ca -0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1ufz h GLU 28 Cb 1.44 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1ufz h GLU 28 CO 0.47 0.13 -0.02 0.82 0.07 0.00 0.00 179.01 180.49 1ufz h ILE 29 N 0.21 0.00 0.02 -1.06 5.03 -2.00 0.74 117.51 120.45 1ufz h ILE 29 Ca 0.43 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 65.19 1ufz h ILE 29 Cb 0.77 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.50 1ufz h ILE 29 CO -0.57 0.00 -0.50 0.44 -0.68 0.00 0.00 178.15 176.84 1ufz h ASP 30 N -0.02 -1.53 -0.96 1.72 5.19 -1.71 -2.09 116.42 117.02 1ufz h ASP 30 Ca 0.00 0.17 0.10 0.00 -0.62 0.00 0.00 57.03 56.68 1ufz h ASP 30 Cb 0.02 0.58 -0.12 0.00 0.18 0.00 0.00 39.33 39.99 1ufz h ASP 30 CO -0.02 -0.51 -0.53 0.00 -3.12 0.00 0.00 179.24 175.06 1ufz n GLN 31 N -5.47 -0.39 -0.37 3.56 6.02 0.75 0.45 117.38 121.94 1ufz n GLN 31 Ca -0.07 1.45 -0.02 0.00 -0.01 0.00 0.00 57.00 58.35 1ufz n GLN 31 Cb 0.39 -2.14 0.03 0.00 1.02 0.00 0.00 30.24 29.55 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 0.63 0.10 0.50 -1.58 0.00 0.12 0.37 119.26 119.40 1ufz h ALA 32 Ca 0.19 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1ufz h ALA 32 Cb 0.43 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ufz h ALA 32 CO -0.91 -0.65 -0.30 0.00 0.00 0.00 0.00 179.25 177.39 1ufz h ARG 33 N -0.01 -0.73 -0.76 0.00 3.08 0.34 -2.44 114.38 113.87 1ufz h ARG 33 Ca 0.33 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.52 1ufz h ARG 33 Cb 0.58 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 30.68 1ufz h ARG 33 CO -0.97 -0.48 -0.51 1.25 -1.07 0.00 0.00 179.97 178.18 1ufz h LEU 34 N -0.75 -1.83 -0.62 3.04 5.85 0.24 0.73 115.31 121.98 1ufz h LEU 34 Ca -0.06 0.29 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1ufz h LEU 34 Cb 0.61 0.82 -0.11 0.00 0.37 0.00 0.00 40.66 42.35 1ufz h LEU 34 CO 0.07 -0.30 -0.43 1.88 -0.34 0.00 0.00 178.44 179.31 1ufz h TYR 35 N -0.15 -1.28 -0.52 1.25 0.05 -0.26 1.83 116.97 117.89 1ufz h TYR 35 Ca 0.17 0.08 0.15 0.00 0.05 0.00 0.00 58.73 59.19 1ufz h TYR 35 Cb 0.52 0.65 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 1ufz h TYR 35 CO -0.86 -0.42 0.70 1.03 -1.05 0.00 0.00 178.16 177.56 1ufz h SER 36 N -0.20 0.00 0.00 3.88 0.87 -0.39 1.11 113.55 118.82 1ufz h SER 36 Ca 0.19 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.51 1ufz h SER 36 Cb 0.56 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1ufz h SER 36 CO -0.71 0.00 -1.50 0.00 -0.53 0.00 0.00 176.83 174.09 1ufz h LEU 38 N -1.00 -1.55 -0.78 0.00 6.46 0.43 -2.36 115.31 116.51 1ufz h LEU 38 Ca -0.36 0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.62 1ufz h LEU 38 Cb 1.23 0.55 -0.09 0.00 -0.73 0.00 0.00 40.66 41.62 1ufz h LEU 38 CO -0.22 -0.60 -0.46 0.47 -0.62 0.00 0.00 178.44 177.01 1ufz n ASP 39 N -5.51 -0.83 0.00 1.25 9.92 0.36 0.21 116.55 121.95 1ufz n ASP 39 Ca -0.10 1.44 0.00 0.00 -0.53 0.00 0.00 54.79 55.61 1ufz n ASP 39 Cb 0.43 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 1ufz n ASP 39 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1ufz n HIS 40 N -4.89 0.00 -0.35 1.24 -0.00 -0.92 0.10 115.22 110.41 1ufz n HIS 40 Ca 0.02 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.32 1ufz n HIS 40 Cb 0.20 -0.28 0.32 0.00 -0.12 0.00 0.00 29.99 30.11 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 0.77 0.00 1.57 2.86 -0.86 0.99 114.93 120.26 1ufz h MET 41 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ufz h MET 41 Cb 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1ufz h MET 41 CO 0.00 0.51 0.00 -2.13 1.06 0.00 0.00 176.91 176.35 1ufz n ARG 42 N -4.71 0.01 -0.05 1.72 0.63 0.56 0.21 116.66 115.03 1ufz n ARG 42 Ca 0.22 0.37 -0.18 0.00 -0.92 0.00 0.00 57.85 57.34 1ufz n ARG 42 Cb 0.53 -1.52 -0.13 0.00 0.45 0.00 0.00 32.46 31.79 1ufz n ARG 42 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ufz h GLU 43 N 0.00 0.08 0.00 -0.14 4.81 0.83 -2.99 114.58 117.18 1ufz h GLU 43 Ca 0.00 -0.14 -0.25 0.00 -0.13 0.00 0.00 59.36 58.84 1ufz h GLU 43 Cb 0.14 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ufz h GLU 43 CO 0.00 1.07 -1.57 0.28 -0.73 0.00 0.00 179.01 178.06 1ufz n VAL 44 N -4.40 1.51 0.01 0.32 0.31 -0.92 -4.24 118.33 110.91 1ufz n VAL 44 Ca -0.17 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 63.95 1ufz n VAL 44 Cb 0.63 -2.09 -0.09 0.00 -0.91 0.00 0.00 33.84 31.38 1ufz n VAL 44 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ufz h LEU 45 N -1.00 -0.08 -1.33 7.52 4.07 0.21 -3.16 115.31 121.54 1ufz h LEU 45 Ca -0.37 -0.50 0.45 0.00 0.08 0.00 0.00 57.88 57.53 1ufz h LEU 45 Cb 1.25 0.02 -0.12 0.00 1.08 0.00 0.00 40.66 42.89 1ufz h LEU 45 CO -0.22 0.50 0.88 0.61 -1.08 0.00 0.00 178.44 179.12 1ufz n GLY 46 N 0.56 -0.78 0.40 0.83 0.00 0.12 0.57 105.19 106.89 1ufz n GLY 46 Ca -0.08 0.68 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.74 0.00 1.61 3.58 -1.59 -3.33 116.42 114.96 1ufz h ASP 47 Ca 0.80 0.31 -0.16 0.00 0.42 0.00 0.00 57.03 58.40 1ufz h ASP 47 Cb 2.70 0.83 -0.02 0.00 1.72 0.00 0.00 39.33 44.55 1ufz h ASP 47 CO -0.35 -0.27 -1.40 0.00 -2.88 0.00 0.00 179.24 174.33 1ufz n ALA 48 N -3.34 2.06 -1.76 -0.78 0.00 0.13 -5.01 120.51 111.81 1ufz n ALA 48 Ca 0.06 -0.51 -0.40 0.00 0.00 0.00 0.00 53.44 52.59 1ufz n ALA 48 Cb 0.34 0.27 0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.31 2.05 0.00 0.00 1.01 0.19 -5.01 120.40 116.33 1ufz s VAL 49 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1ufz s VAL 49 Cb 0.06 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1ufz s VAL 49 CO 0.23 0.01 0.00 -0.81 0.00 0.00 0.00 175.10 174.53 1ufz n PRO 50 N -0.32 0.37 -0.08 2.72 -0.04 -1.26 -3.57 135.00 132.81 1ufz n PRO 50 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1ufz n PRO 50 Cb 0.42 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.85 1ufz n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ufz n ASP 51 N -1.26 1.85 -0.14 3.54 5.75 -1.26 -3.94 116.55 121.08 1ufz n ASP 51 Ca 0.00 0.54 -0.04 0.00 -0.01 0.00 0.00 54.79 55.28 1ufz n ASP 51 Cb 0.00 -0.86 -0.03 0.00 -1.03 0.00 0.00 41.12 39.20 1ufz n ASP 51 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ufz n ASP 52 N -4.55 -0.35 -0.34 -1.12 2.03 -1.26 0.19 116.55 111.15 1ufz n ASP 52 Ca -0.14 1.23 0.16 0.00 0.52 0.00 0.00 54.79 56.56 1ufz n ASP 52 Cb 0.40 -0.39 0.31 0.00 -0.72 0.00 0.00 41.12 40.71 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 -3.74 -0.42 0.16 5.18 5.41 -1.26 0.87 119.36 125.56 1ufz n ILE 53 Ca 0.01 2.18 -0.13 0.00 1.00 0.00 0.00 62.75 65.80 1ufz n ILE 53 Cb 0.09 -3.20 -0.08 0.00 -0.71 0.00 0.00 39.64 35.73 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 -0.34 -0.49 1.39 3.38 0.81 -2.72 115.31 117.32 1ufz h LEU 54 Ca 0.62 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.52 1ufz h LEU 54 Cb 1.29 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.03 1ufz h LEU 54 CO -0.93 0.00 -0.25 0.74 0.09 0.00 0.00 178.44 178.10 1ufz h THR 55 N -0.72 0.31 -0.49 0.22 2.02 0.77 -0.63 112.91 114.39 1ufz h THR 55 Ca -0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1ufz h THR 55 Cb 0.49 0.31 -0.10 0.00 -1.74 0.00 0.00 68.15 67.11 1ufz h THR 55 CO 0.07 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 175.32 1ufz h GLU 56 N -0.14 -0.18 -0.68 6.66 5.08 0.49 0.13 114.58 125.94 1ufz h GLU 56 Ca 0.23 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.73 1ufz h GLU 56 Cb 0.49 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.65 1ufz h GLU 56 CO -0.58 -0.12 -0.17 0.00 -1.00 0.00 0.00 179.01 177.14 1ufz h ALA 57 N 0.95 0.46 0.25 3.43 0.00 -0.81 1.55 119.26 125.09 1ufz h ALA 57 Ca 0.21 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ufz h ALA 57 Cb 0.53 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1ufz h ALA 57 CO -0.59 -0.42 -0.51 0.82 0.00 0.00 0.00 179.25 178.55 1ufz h ILE 58 N 0.00 0.00 0.00 0.00 2.04 -0.21 0.38 117.51 119.72 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 0.50 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1ufz h ILE 58 CO -0.70 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.63 1ufz n LEU 59 N -5.40 0.53 0.22 1.44 7.99 -0.21 -0.20 117.00 121.36 1ufz n LEU 59 Ca -0.09 0.71 0.10 0.00 -0.01 0.00 0.00 56.01 56.71 1ufz n LEU 59 Cb 0.42 -0.73 0.41 0.00 -0.11 0.00 0.00 43.42 43.42 1ufz n LEU 59 CO 0.19 -0.79 0.79 0.50 -1.51 0.00 0.00 177.39 176.57 1ufz h LYS 60 N 0.00 0.00 -0.18 3.23 1.63 0.64 -3.21 116.57 118.67 1ufz h LYS 60 Ca 0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 1ufz h LYS 60 Cb 0.11 0.00 -0.37 0.00 -0.60 0.00 0.00 32.23 31.38 1ufz h LYS 60 CO 0.00 0.21 -1.02 0.72 -3.45 0.00 0.00 179.45 175.92 1ufz n HIS 61 N -3.31 0.56 -3.83 1.91 8.25 0.47 -5.01 115.22 114.26 1ufz n HIS 61 Ca 0.01 -1.22 -0.28 0.00 -0.26 0.00 0.00 57.72 55.96 1ufz n HIS 61 Cb 0.46 -0.19 0.00 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 -0.06 -1.25 -2.78 -0.41 0.00 0.17 -3.58 118.16 110.24 1ufz n LYS 62 Ca 0.09 0.58 -0.01 0.00 0.00 0.00 0.00 58.31 58.97 1ufz n LYS 62 Cb 0.99 -2.17 -0.01 0.00 0.00 0.00 0.00 35.03 33.84 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 -3.03 -3.36 -2.74 5.64 3.01 0.71 -4.97 117.46 112.72 1ufz n PHE 63 Ca -0.28 1.61 -0.09 0.00 1.01 0.00 0.00 57.45 59.70 1ufz n PHE 63 Cb 0.65 -3.44 0.09 0.00 -0.01 0.00 0.00 39.48 36.77 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 1.07 -2.28 -0.41 4.37 -0.08 -1.23 -5.02 116.55 112.98 1ufz n ASP 64 Ca -0.08 -3.68 -0.09 0.00 -1.51 0.00 0.00 54.79 49.42 1ufz n ASP 64 Cb 0.20 1.87 -0.08 0.00 2.34 0.00 0.00 41.12 45.45 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 0.00 -1.16 5.18 2.07 -1.92 1.93 116.25 125.30 1ufz h VAL 65 Ca -0.10 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.83 1ufz h VAL 65 Cb 1.10 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.74 1ufz h VAL 65 CO 0.14 0.00 0.73 0.00 0.02 0.00 0.00 177.57 178.46 1ufz n GLN 66 N -5.29 -0.03 -0.10 1.57 6.02 -1.26 0.23 117.38 118.52 1ufz n GLN 66 Ca 0.03 1.11 -0.18 0.00 -0.01 0.00 0.00 57.00 57.95 1ufz n GLN 66 Cb 0.28 -2.16 -0.08 0.00 1.02 0.00 0.00 30.24 29.31 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 -4.52 0.54 -0.37 -1.09 3.00 0.53 -3.62 118.16 112.62 1ufz n LYS 67 Ca 0.35 0.45 0.29 0.00 -0.00 0.00 0.00 58.31 59.40 1ufz n LYS 67 Cb 1.34 -1.64 0.58 0.00 0.00 0.00 0.00 35.03 35.30 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 -0.78 2.49 -1.24 3.14 0.00 0.52 0.74 119.26 124.12 1ufz h ALA 68 Ca -0.31 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ufz h ALA 68 Cb 1.16 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ufz h ALA 68 CO -0.19 -0.97 0.00 1.28 0.00 0.00 0.00 179.25 179.37 1ufz n LEU 69 N -4.60 0.36 -0.42 0.00 4.77 0.64 0.20 117.00 117.94 1ufz n LEU 69 Ca 0.29 0.65 0.34 0.00 -0.03 0.00 0.00 56.01 57.27 1ufz n LEU 69 Cb 1.10 -0.29 0.64 0.00 -2.33 0.00 0.00 43.42 42.54 1ufz n LEU 69 CO 0.25 -0.29 1.26 -1.28 -1.33 0.00 0.00 177.39 176.00 1ufz h SER 70 N 0.00 0.24 -0.04 -1.43 0.87 -1.44 1.95 113.55 113.70 1ufz h SER 70 Ca 0.00 0.09 -0.23 0.00 -1.23 0.00 0.00 61.79 60.42 1ufz h SER 70 Cb 0.00 0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1ufz h SER 70 CO 0.00 -0.07 -0.89 0.58 -0.53 0.00 0.00 176.83 175.92 1ufz h VAL 71 N 0.15 1.30 -0.20 2.23 2.07 0.51 -3.00 116.25 119.31 1ufz h VAL 71 Ca 0.74 -2.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 1ufz h VAL 71 Cb 2.36 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 34.43 1ufz h VAL 71 CO -0.30 0.66 -0.12 0.58 0.02 0.00 0.00 177.57 178.41 1ufz h VAL 72 N 0.34 1.31 -0.52 2.57 2.07 1.32 -0.31 116.25 123.04 1ufz h VAL 72 Ca -0.10 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.31 1ufz h VAL 72 Cb 1.55 1.66 -0.10 0.00 -1.52 0.00 0.00 31.29 32.88 1ufz h VAL 72 CO 0.18 0.36 -0.35 -0.07 0.02 0.00 0.00 177.57 177.71 1ufz h LEU 73 N 0.13 -1.21 -0.12 2.57 4.07 0.23 1.29 115.31 122.27 1ufz h LEU 73 Ca 0.04 0.22 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 1ufz h LEU 73 Cb 0.62 0.57 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1ufz h LEU 73 CO 0.03 -0.32 0.04 -0.33 -1.08 0.00 0.00 178.44 176.78 1ufz h GLU 74 N -0.21 0.18 -0.18 1.13 5.08 -1.49 0.24 114.58 119.32 1ufz h GLU 74 Ca 0.20 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1ufz h GLU 74 Cb 0.55 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1ufz h GLU 74 CO -0.63 0.32 -0.23 0.37 -1.00 0.00 0.00 179.01 177.83 1ufz h GLN 75 N 0.01 -0.26 -0.04 2.33 -0.00 0.50 -1.95 115.11 115.69 1ufz h GLN 75 Ca 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1ufz h GLN 75 Cb 0.21 0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.75 1ufz h GLN 75 CO -0.00 -0.17 0.02 0.22 0.00 0.00 0.00 178.83 178.90 1ufz h ASP 76 N -0.27 0.05 -1.65 -0.69 3.58 0.17 -1.93 116.42 115.68 1ufz h ASP 76 Ca 0.12 -0.07 0.48 0.00 0.42 0.00 0.00 57.03 57.98 1ufz h ASP 76 Cb 0.45 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 1ufz h ASP 76 CO -0.34 0.11 1.27 1.23 -2.88 0.00 0.00 179.24 178.63 1ufz h GLY 77 N -0.01 0.00 0.94 -0.78 0.00 0.21 1.42 103.07 104.84 1ufz h GLY 77 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1ufz h GLY 77 CO -0.00 0.00 0.43 0.23 0.00 0.00 0.00 176.54 177.19 1ufz h SER 78 N 0.00 0.72 0.00 0.19 0.87 -0.76 -3.15 113.55 111.42 1ufz h SER 78 Ca 0.78 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.33 1ufz h SER 78 Cb 3.32 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 65.11 1ufz h SER 78 CO -0.01 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 177.41 1ufz n GLY 79 N -1.28 -2.97 3.14 5.77 0.00 0.49 -4.66 105.19 105.67 1ufz n GLY 79 Ca 0.06 0.44 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.67 -1.95 0.13 1.61 -0.04 -1.19 -5.02 135.00 125.87 1ufz n PRO 80 Ca 0.00 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1ufz n PRO 80 Cb 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 -4.15 -2.24 -0.09 3.54 3.41 -1.26 -4.93 113.62 107.90 1ufz n SER 81 Ca 0.14 0.49 -0.13 0.00 -0.26 0.00 0.00 58.87 59.11 1ufz n SER 81 Cb 0.50 2.30 -0.04 0.00 -0.26 0.00 0.00 64.21 66.70 1ufz n SER 81 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ufz n SER 82 N -3.02 1.83 0.00 4.04 7.64 -1.26 -5.19 113.62 117.66 1ufz n SER 82 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1ufz n SER 82 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1ufz n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64