#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufy s VAL 2 N 0.00 1.19 -0.09 3.17 1.01 -1.26 -2.47 120.40 121.95 1ufy s VAL 2 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1ufy s VAL 2 Cb 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1ufy s VAL 2 CO 0.00 0.15 -0.19 -0.13 0.00 0.00 0.00 175.10 174.93 1ufy s ARG 3 N -0.83 2.54 0.45 2.72 1.81 0.04 -4.94 118.95 120.73 1ufy s ARG 3 Ca 0.04 -0.70 -0.22 0.00 -1.72 0.00 0.00 55.73 53.13 1ufy s ARG 3 Cb -0.07 -1.97 -0.08 0.00 -0.45 0.00 0.00 34.95 32.37 1ufy s ARG 3 CO 0.01 0.11 1.06 0.20 -0.68 0.00 0.00 175.30 176.00 1ufy s GLY 4 N 0.48 2.63 -0.14 -3.53 0.00 -1.26 -0.92 107.32 104.58 1ufy s GLY 4 Ca -0.17 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1ufy s GLY 4 CO 0.07 1.06 -0.18 -0.42 0.00 0.00 0.00 173.10 173.62 1ufy s ILE 5 N -1.81 1.81 -0.01 0.90 1.01 0.60 -4.94 121.20 118.77 1ufy s ILE 5 Ca 0.63 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1ufy s ILE 5 Cb -0.20 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1ufy s ILE 5 CO 0.24 0.50 0.29 -0.13 0.00 0.00 0.00 174.94 175.84 1ufy s ARG 6 N 1.04 3.64 0.09 2.79 1.81 -1.26 -0.85 118.95 126.22 1ufy s ARG 6 Ca -0.03 0.04 0.01 0.00 -1.72 0.00 0.00 55.73 54.03 1ufy s ARG 6 Cb -0.15 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.20 1ufy s ARG 6 CO -0.05 0.67 -0.05 0.20 -0.68 0.00 0.00 175.30 175.39 1ufy s GLY 7 N -1.48 0.71 -0.02 -3.53 0.00 -0.20 -1.28 107.32 101.54 1ufy s GLY 7 Ca 0.25 -1.33 -0.23 0.00 0.00 0.00 0.00 44.72 43.41 1ufy s GLY 7 CO 0.14 -1.42 0.51 0.00 0.00 0.00 0.00 173.10 172.33 1ufy s ALA 8 N -3.72 -1.31 -0.00 3.20 0.00 -0.40 -1.04 121.76 118.50 1ufy s ALA 8 Ca 0.11 0.79 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 1ufy s ALA 8 Cb 0.06 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.33 1ufy s ALA 8 CO -0.06 -0.36 0.42 -1.50 0.00 0.00 0.00 175.76 174.27 1ufy s ILE 9 N -1.52 0.04 0.23 0.00 2.07 -0.44 -0.84 121.20 120.74 1ufy s ILE 9 Ca -0.11 -0.37 0.07 0.00 -1.41 0.00 0.00 60.65 58.83 1ufy s ILE 9 Cb -0.02 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1ufy s ILE 9 CO 0.05 -0.20 0.18 0.42 -1.91 0.00 0.00 174.94 173.48 1ufy s THR 10 N -1.70 4.44 0.22 4.00 -4.23 -1.25 -0.95 115.64 116.18 1ufy s THR 10 Ca -0.10 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 1ufy s THR 10 Cb -0.03 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 1ufy s THR 10 CO 0.03 -0.28 -0.14 0.68 -0.54 0.00 0.00 174.62 174.37 1ufy s VAL 11 N -2.03 1.80 -1.09 2.29 -7.23 -0.80 -4.87 120.40 108.46 1ufy s VAL 11 Ca 0.32 -2.22 0.24 0.00 -1.81 0.00 0.00 61.98 58.51 1ufy s VAL 11 Cb -0.08 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1ufy s VAL 11 CO 0.24 -0.54 1.24 -0.62 -0.31 0.00 0.00 175.10 175.11 1ufy n GLU 12 N -0.43 0.11 -3.64 4.82 4.71 -1.26 -4.79 120.64 120.16 1ufy n GLU 12 Ca -0.07 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.16 56.86 1ufy n GLU 12 Cb 0.61 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.47 1ufy n GLU 12 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1ufy s GLU 13 N -2.94 0.91 -1.28 3.49 -1.05 -1.26 -5.08 118.70 111.49 1ufy s GLU 13 Ca 0.11 -0.19 -0.12 0.00 -0.15 0.00 0.00 54.97 54.63 1ufy s GLU 13 Cb 0.17 0.41 0.15 0.00 -0.44 0.00 0.00 34.13 34.43 1ufy s GLU 13 CO 0.74 -0.30 1.77 -3.47 0.95 0.00 0.00 175.26 174.95 1ufy n ASP 14 N 0.73 5.01 -4.24 0.83 2.03 -1.26 -4.64 116.55 115.02 1ufy n ASP 14 Ca -0.19 -3.04 -0.18 0.00 0.52 0.00 0.00 54.79 51.90 1ufy n ASP 14 Cb 0.58 -1.54 -0.11 0.00 -0.72 0.00 0.00 41.12 39.33 1ufy n ASP 14 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ufy s THR 15 N 1.21 1.33 0.22 5.18 -4.23 -1.26 -4.68 115.64 113.41 1ufy s THR 15 Ca 0.42 -1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1ufy s THR 15 Cb 0.06 -1.50 0.19 0.00 1.34 0.00 0.00 72.50 72.59 1ufy s THR 15 CO -0.00 -0.39 1.87 -0.65 -0.54 0.00 0.00 174.62 174.91 1ufy h PRO 16 N 3.60 1.15 -0.82 3.99 0.11 -1.92 -1.36 132.00 136.75 1ufy h PRO 16 Ca -0.40 -0.10 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1ufy h PRO 16 Cb 1.20 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 1ufy h PRO 16 CO 0.49 0.81 0.53 1.05 -0.21 0.00 0.00 178.00 180.68 1ufy h GLU 17 N 1.17 1.01 -0.10 1.05 9.09 -1.97 0.17 114.58 125.01 1ufy h GLU 17 Ca 0.31 -0.06 -0.04 0.00 0.05 0.00 0.00 59.36 59.62 1ufy h GLU 17 Cb -0.05 -0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 26.82 1ufy h GLU 17 CO -0.06 0.67 -0.08 0.00 0.05 0.00 0.00 179.01 179.59 1ufy h ALA 18 N 1.33 0.14 -0.44 1.06 0.00 -1.78 -2.25 119.26 117.32 1ufy h ALA 18 Ca 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ufy h ALA 18 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ufy h ALA 18 CO -0.10 -0.04 0.14 0.82 0.00 0.00 0.00 179.25 180.06 1ufy h ILE 19 N -0.18 1.22 -0.36 0.00 2.04 -1.06 -1.96 117.51 117.22 1ufy h ILE 19 Ca 0.02 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1ufy h ILE 19 Cb 0.59 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1ufy h ILE 19 CO 0.02 0.26 0.02 0.45 0.00 0.00 0.00 178.15 178.90 1ufy h HIS 20 N 0.56 0.66 -0.30 1.37 3.86 -0.73 -1.37 115.15 119.21 1ufy h HIS 20 Ca 0.14 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1ufy h HIS 20 Cb 0.26 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1ufy h HIS 20 CO 0.01 0.70 0.19 0.37 0.86 0.00 0.00 177.93 180.06 1ufy h GLN 21 N 0.43 0.37 -0.88 2.45 -0.00 -1.36 -1.13 115.11 115.00 1ufy h GLN 21 Ca 0.10 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.71 1ufy h GLN 21 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.78 1ufy h GLN 21 CO 0.01 0.25 0.45 0.00 0.00 0.00 0.00 178.83 179.54 1ufy h ALA 22 N 1.12 1.13 -0.26 3.38 0.00 -1.20 -1.30 119.26 122.12 1ufy h ALA 22 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ufy h ALA 22 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1ufy h ALA 22 CO -0.04 0.67 -0.00 1.15 0.00 0.00 0.00 179.25 181.03 1ufy h THR 23 N 1.24 1.26 -0.36 0.00 2.02 -0.98 -0.82 112.91 115.27 1ufy h THR 23 Ca 0.30 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.59 1ufy h THR 23 Cb 0.08 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1ufy h THR 23 CO -0.04 0.29 0.19 0.03 0.37 0.00 0.00 175.52 176.35 1ufy h ARG 24 N 0.24 0.37 -0.24 6.66 3.08 -1.04 -0.84 114.38 122.62 1ufy h ARG 24 Ca 0.07 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1ufy h ARG 24 Cb 0.42 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1ufy h ARG 24 CO 0.01 0.25 0.13 1.49 -1.07 0.00 0.00 179.97 180.78 1ufy h GLU 25 N 0.38 0.27 -0.21 0.04 4.81 -1.12 -2.00 114.58 116.75 1ufy h GLU 25 Ca 0.15 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1ufy h GLU 25 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1ufy h GLU 25 CO -0.10 0.18 0.09 1.25 -0.73 0.00 0.00 179.01 179.70 1ufy h LEU 26 N 0.27 0.27 -0.39 1.64 5.85 -0.98 -1.50 115.31 120.48 1ufy h LEU 26 Ca 0.09 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1ufy h LEU 26 Cb 0.01 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1ufy h LEU 26 CO -0.05 0.33 0.17 -0.07 -0.34 0.00 0.00 178.44 178.48 1ufy h LEU 27 N 0.20 0.23 -0.84 2.25 3.38 -1.03 -0.07 115.31 119.42 1ufy h LEU 27 Ca 0.07 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ufy h LEU 27 Cb 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ufy h LEU 27 CO -0.01 0.17 0.21 -0.07 0.09 0.00 0.00 178.44 178.83 1ufy h LEU 28 N 0.35 1.00 -0.82 1.67 3.38 -1.24 -1.68 115.31 117.97 1ufy h LEU 28 Ca 0.17 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1ufy h LEU 28 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1ufy h LEU 28 CO -0.14 0.94 -0.17 0.11 0.09 0.00 0.00 178.44 179.26 1ufy h LYS 29 N 1.03 0.69 -0.64 1.13 1.57 -0.87 -0.84 116.57 118.65 1ufy h LYS 29 Ca 0.23 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ufy h LYS 29 Cb 0.30 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1ufy h LYS 29 CO -0.01 0.83 0.39 0.52 -0.57 0.00 0.00 179.45 180.61 1ufy h MET 30 N 0.62 0.86 -0.23 3.15 2.86 -0.60 -0.08 114.93 121.51 1ufy h MET 30 Ca 0.10 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1ufy h MET 30 Cb 0.64 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1ufy h MET 30 CO 0.05 0.61 -0.02 -0.07 1.06 0.00 0.00 176.91 178.54 1ufy h LEU 31 N 0.87 0.42 -0.54 1.22 3.38 -1.08 -3.01 115.31 116.56 1ufy h LEU 31 Ca 0.23 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1ufy h LEU 31 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1ufy h LEU 31 CO -0.04 0.65 0.28 -0.33 0.09 0.00 0.00 178.44 179.09 1ufy h GLU 32 N 0.18 0.77 -0.05 1.13 3.07 -1.04 -1.96 114.58 116.68 1ufy h GLU 32 Ca 0.06 -0.10 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1ufy h GLU 32 Cb 0.45 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1ufy h GLU 32 CO 0.02 0.61 0.04 0.00 -1.40 0.00 0.00 179.01 178.28 1ufy h ALA 33 N 1.11 2.03 -0.03 3.43 0.00 -0.99 -2.42 119.26 122.40 1ufy h ALA 33 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ufy h ALA 33 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ufy h ALA 33 CO -0.03 -0.07 -0.08 0.09 0.00 0.00 0.00 179.25 179.17 1ufy n ASN 34 N -4.50 2.79 -1.15 0.00 3.02 -1.02 -4.76 115.26 109.64 1ufy n ASN 34 Ca -0.02 -1.90 -0.11 0.00 -0.03 0.00 0.00 54.58 52.53 1ufy n ASN 34 Cb 0.14 0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1ufy n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ufy n GLY 35 N 1.33 0.13 3.74 7.41 0.00 -0.82 -4.98 105.19 112.00 1ufy n GLY 35 Ca 0.13 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1ufy n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ufy s ILE 36 N -2.51 3.46 -0.14 -0.61 1.01 -0.80 -4.93 121.20 116.67 1ufy s ILE 36 Ca 0.00 1.24 0.17 0.00 0.00 0.00 0.00 60.65 62.05 1ufy s ILE 36 Cb 0.00 -3.79 -0.25 0.00 0.01 0.00 0.00 42.46 38.43 1ufy s ILE 36 CO 0.00 0.20 0.42 0.00 0.00 0.00 0.00 174.94 175.56 1ufy n GLN 37 N 2.40 0.69 -3.72 2.79 6.02 -1.26 -4.79 117.38 119.50 1ufy n GLN 37 Ca 0.04 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 56.77 1ufy n GLN 37 Cb 0.44 -1.37 -0.09 0.00 1.02 0.00 0.00 30.24 30.24 1ufy n GLN 37 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ufy s SER 38 N -3.70 -0.38 0.66 1.08 0.15 -1.26 -5.00 113.70 105.26 1ufy s SER 38 Ca -0.04 0.57 0.44 0.00 0.70 0.00 0.00 55.95 57.62 1ufy s SER 38 Cb 0.11 0.64 2.39 0.00 -1.71 0.00 0.00 66.02 67.45 1ufy s SER 38 CO 0.69 -0.30 2.36 1.88 1.20 0.00 0.00 173.24 179.07 1ufy h TYR 39 N 4.65 0.00 0.00 3.44 0.05 -1.98 -1.32 116.97 121.81 1ufy h TYR 39 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1ufy h TYR 39 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1ufy h TYR 39 CO 0.44 0.00 0.00 0.93 -1.05 0.00 0.00 178.16 178.48 1ufy h GLU 40 N 0.00 0.00 0.00 4.88 5.08 -1.98 -1.30 114.58 121.27 1ufy h GLU 40 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ufy h GLU 40 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ufy h GLU 40 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1ufy n GLU 41 N -2.84 0.18 -3.18 2.33 1.02 -0.50 -4.73 120.64 112.92 1ufy n GLU 41 Ca -0.02 0.30 -0.41 0.00 -0.02 0.00 0.00 57.16 57.02 1ufy n GLU 41 Cb 0.12 -1.78 -0.07 0.00 -0.02 0.00 0.00 31.44 29.69 1ufy n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ufy s LEU 42 N -4.19 4.18 0.13 -4.62 1.43 -0.49 -0.73 118.68 114.39 1ufy s LEU 42 Ca 0.07 0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 53.31 1ufy s LEU 42 Cb 0.11 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 1ufy s LEU 42 CO 0.45 -0.44 1.67 0.00 0.23 0.00 0.00 176.35 178.26 1ufy h ALA 43 N 8.25 0.50 -1.71 4.21 0.00 -0.93 -3.46 119.26 126.12 1ufy h ALA 43 Ca -0.28 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 54.73 1ufy h ALA 43 Cb 1.12 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 1ufy h ALA 43 CO 0.78 0.10 0.72 0.00 0.00 0.00 0.00 179.25 180.85 1ufy s ALA 44 N -5.53 -2.02 -0.04 0.00 0.00 -1.22 -4.44 121.76 108.51 1ufy s ALA 44 Ca -0.13 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1ufy s ALA 44 Cb 0.10 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.39 1ufy s ALA 44 CO 0.75 -0.74 -0.05 0.08 0.00 0.00 0.00 175.76 175.79 1ufy s VAL 45 N -2.64 0.58 -0.09 0.00 1.01 -0.28 -0.76 120.40 118.22 1ufy s VAL 45 Ca 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1ufy s VAL 45 Cb 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1ufy s VAL 45 CO -0.05 0.23 -0.13 -0.63 0.00 0.00 0.00 175.10 174.52 1ufy s ILE 46 N 0.79 3.09 0.13 2.22 1.01 -0.01 -1.71 121.20 126.72 1ufy s ILE 46 Ca -0.11 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1ufy s ILE 46 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1ufy s ILE 46 CO 0.01 0.56 -0.17 -0.36 0.00 0.00 0.00 174.94 174.98 1ufy s PHE 47 N -0.24 2.56 0.10 3.97 0.40 0.20 -0.13 117.98 124.84 1ufy s PHE 47 Ca 0.01 -0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.15 1ufy s PHE 47 Cb -0.13 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1ufy s PHE 47 CO 0.03 0.41 -0.15 0.95 0.70 0.00 0.00 175.22 177.15 1ufy s THR 48 N -1.23 1.32 0.04 0.64 -4.23 -0.17 -1.02 115.64 110.98 1ufy s THR 48 Ca 0.19 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1ufy s THR 48 Cb -0.10 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 1ufy s THR 48 CO 0.11 -0.28 -0.16 0.68 -0.54 0.00 0.00 174.62 174.43 1ufy s VAL 49 N -1.64 1.28 0.83 2.29 -7.23 -0.75 -0.80 120.40 114.39 1ufy s VAL 49 Ca 0.04 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.05 1ufy s VAL 49 Cb -0.08 -1.14 0.09 0.00 0.56 0.00 0.00 36.38 35.81 1ufy s VAL 49 CO 0.03 0.07 1.10 0.42 -0.31 0.00 0.00 175.10 176.41 1ufy s THR 50 N -0.83 2.98 -0.38 5.32 -4.23 -0.96 -1.01 115.64 116.52 1ufy s THR 50 Ca 0.03 0.32 0.24 0.00 -1.18 0.00 0.00 61.69 61.10 1ufy s THR 50 Cb -0.08 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.29 1ufy s THR 50 CO 0.01 -0.41 1.71 -0.62 -0.54 0.00 0.00 174.62 174.77 1ufy n GLU 51 N -3.73 0.19 -0.03 3.99 1.02 -1.26 -1.56 120.64 119.25 1ufy n GLU 51 Ca 0.09 0.49 0.11 0.00 -0.02 0.00 0.00 57.16 57.82 1ufy n GLU 51 Cb 0.53 -1.91 0.50 0.00 -0.02 0.00 0.00 31.44 30.54 1ufy n GLU 51 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ufy n ASP 52 N -2.28 0.87 -4.04 1.62 5.68 -1.26 -4.61 116.55 112.53 1ufy n ASP 52 Ca 0.01 -1.52 -0.31 0.00 -0.50 0.00 0.00 54.79 52.47 1ufy n ASP 52 Cb 0.18 -0.05 -0.15 0.00 -1.14 0.00 0.00 41.12 39.97 1ufy n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ufy s LEU 53 N -1.65 3.98 0.00 -2.12 1.43 -0.60 -4.74 118.68 114.99 1ufy s LEU 53 Ca 0.32 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1ufy s LEU 53 Cb 0.16 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1ufy s LEU 53 CO 0.26 -0.28 0.34 0.35 0.23 0.00 0.00 176.35 177.25 1ufy n THR 54 N 4.37 0.00 0.68 5.49 -2.24 -1.26 -4.78 114.28 116.53 1ufy n THR 54 Ca -0.06 -0.38 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1ufy n THR 54 Cb 0.42 1.22 0.43 0.00 -2.10 0.00 0.00 70.33 70.29 1ufy n THR 54 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ufy n SER 55 N -0.07 0.70 -3.62 3.42 3.41 -1.26 -4.89 113.62 111.31 1ufy n SER 55 Ca 0.00 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 59.03 1ufy n SER 55 Cb 0.05 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 1ufy n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ufy s ALA 56 N -3.09 -1.16 -0.21 7.33 0.00 -1.26 -4.55 121.76 118.83 1ufy s ALA 56 Ca 0.11 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 1ufy s ALA 56 Cb 0.13 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1ufy s ALA 56 CO 0.59 -0.49 0.63 -0.06 0.00 0.00 0.00 175.76 176.44 1ufy s PHE 57 N -2.51 3.36 0.48 0.00 0.08 -1.26 -4.97 117.98 113.16 1ufy s PHE 57 Ca -0.05 0.92 0.19 0.00 0.12 0.00 0.00 56.93 58.11 1ufy s PHE 57 Cb -0.01 -2.81 1.22 0.00 -0.57 0.00 0.00 43.02 40.85 1ufy s PHE 57 CO -0.02 -0.20 2.00 -1.35 -0.10 0.00 0.00 175.22 175.55 1ufy h PRO 58 N 7.55 0.18 0.00 0.24 0.11 -1.99 -1.63 132.00 136.46 1ufy h PRO 58 Ca -0.31 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1ufy h PRO 58 Cb 1.14 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ufy h PRO 58 CO 0.78 0.12 -0.16 0.00 -0.21 0.00 0.00 178.00 178.53 1ufy h ALA 59 N 1.75 1.70 -0.78 -0.75 0.00 -1.94 -1.53 119.26 117.69 1ufy h ALA 59 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ufy h ALA 59 Cb 0.70 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1ufy h ALA 59 CO -0.04 0.20 0.31 1.49 0.00 0.00 0.00 179.25 181.20 1ufy h GLU 60 N 0.00 1.17 -0.66 0.00 4.57 -1.71 -1.12 114.58 116.83 1ufy h GLU 60 Ca -0.00 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 1ufy h GLU 60 Cb 0.28 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1ufy h GLU 60 CO 0.02 0.96 0.10 0.00 -1.18 0.00 0.00 179.01 178.90 1ufy h ALA 61 N 1.16 0.88 -0.71 2.92 0.00 -1.35 -1.95 119.26 120.21 1ufy h ALA 61 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ufy h ALA 61 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ufy h ALA 61 CO -0.02 0.65 0.43 0.00 0.00 0.00 0.00 179.25 180.31 1ufy h ALA 62 N 1.04 1.42 0.00 0.00 0.00 -0.96 -1.30 119.26 119.46 1ufy h ALA 62 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ufy h ALA 62 Cb 0.45 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ufy h ALA 62 CO 0.01 0.51 -0.11 0.00 0.00 0.00 0.00 179.25 179.66 1ufy h ARG 63 N 0.98 0.00 0.00 0.00 3.08 -0.80 -1.14 114.38 116.50 1ufy h ARG 63 Ca 0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 1ufy h ARG 63 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1ufy h ARG 63 CO -0.05 0.11 -0.15 1.96 -1.07 0.00 0.00 179.97 180.77 1ufy h GLN 64 N 0.00 0.00 -0.53 0.04 4.20 -0.47 -1.24 115.11 117.11 1ufy h GLN 64 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1ufy h GLN 64 Cb 0.63 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.33 1ufy h GLN 64 CO 0.01 0.15 0.12 0.44 -0.67 0.00 0.00 178.83 178.89 1ufy n ILE 65 N -3.45 2.68 -0.86 2.54 -5.35 -0.95 -4.97 119.36 109.00 1ufy n ILE 65 Ca -0.01 -1.87 0.00 0.00 -0.27 0.00 0.00 62.75 60.60 1ufy n ILE 65 Cb 0.32 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1ufy n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ufy n GLY 66 N -0.36 0.50 1.20 3.28 0.00 -0.47 -4.95 105.19 104.40 1ufy n GLY 66 Ca 0.33 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1ufy n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ufy n MET 67 N -2.72 1.11 -0.37 1.61 2.81 -0.47 -4.39 117.12 114.71 1ufy n MET 67 Ca 0.00 -0.26 0.03 0.00 -1.81 0.00 0.00 57.70 55.66 1ufy n MET 67 Cb 0.02 -1.10 0.17 0.00 -0.71 0.00 0.00 33.22 31.60 1ufy n MET 67 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ufy h HIS 68 N 0.29 1.19 -0.01 2.03 3.86 -1.85 -1.80 115.15 118.87 1ufy h HIS 68 Ca 0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1ufy h HIS 68 Cb 1.12 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1ufy h HIS 68 CO 0.18 0.61 -0.08 0.54 0.86 0.00 0.00 177.93 180.04 1ufy n ARG 69 N -4.51 1.34 -3.32 2.45 5.12 -1.26 -4.76 116.66 111.71 1ufy n ARG 69 Ca 0.15 -0.74 -0.38 0.00 -1.93 0.00 0.00 57.85 54.95 1ufy n ARG 69 Cb 0.19 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 29.94 1ufy n ARG 69 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ufy s VAL 70 N -2.17 5.18 0.04 1.55 1.01 -0.68 -5.05 120.40 120.28 1ufy s VAL 70 Ca 0.34 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1ufy s VAL 70 Cb 0.20 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1ufy s VAL 70 CO 0.40 0.28 1.30 -2.84 0.00 0.00 0.00 175.10 174.24 1ufy s PRO 71 N 0.97 4.35 0.07 2.72 0.02 -1.26 -4.91 135.00 136.95 1ufy s PRO 71 Ca 0.24 1.88 0.08 0.00 0.02 0.00 0.00 61.00 63.22 1ufy s PRO 71 Cb -0.15 -3.43 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 1ufy s PRO 71 CO 0.09 -0.42 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.61 1ufy s LEU 72 N 1.66 2.21 -0.05 -5.54 1.43 -1.26 -1.12 118.68 116.01 1ufy s LEU 72 Ca 0.61 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1ufy s LEU 72 Cb -0.31 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1ufy s LEU 72 CO 0.27 0.15 0.23 -0.22 0.23 0.00 0.00 176.35 177.02 1ufy s LEU 73 N -1.45 1.15 0.08 1.79 2.96 -0.70 -4.98 118.68 117.54 1ufy s LEU 73 Ca 0.09 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1ufy s LEU 73 Cb -0.09 0.88 -0.03 0.00 0.50 0.00 0.00 46.19 47.45 1ufy s LEU 73 CO 0.03 -0.24 -0.13 -0.94 -1.32 0.00 0.00 176.35 173.75 1ufy s SER 74 N -0.58 1.66 0.28 3.68 1.04 -1.26 -0.63 113.70 117.90 1ufy s SER 74 Ca -0.07 -0.68 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 1ufy s SER 74 Cb -0.04 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1ufy s SER 74 CO 0.01 -0.12 0.44 0.00 0.98 0.00 0.00 173.24 174.55 1ufy s ALA 75 N -1.61 0.25 -0.08 5.32 0.00 -0.19 -4.95 121.76 120.49 1ufy s ALA 75 Ca 0.01 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1ufy s ALA 75 Cb -0.08 1.13 -0.05 0.00 0.00 0.00 0.00 23.12 24.12 1ufy s ALA 75 CO 0.02 -0.80 0.26 1.03 0.00 0.00 0.00 175.76 176.27 1ufy s ARG 76 N -3.68 3.77 0.55 0.00 0.52 -1.26 -1.80 118.95 117.04 1ufy s ARG 76 Ca 0.27 0.10 -0.14 0.00 -0.52 0.00 0.00 55.73 55.44 1ufy s ARG 76 Cb 0.00 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 32.16 1ufy s ARG 76 CO 0.13 0.65 0.99 -2.00 0.02 0.00 0.00 175.30 175.09 1ufy s GLU 77 N -0.77 3.82 0.14 3.54 2.56 -0.18 -4.86 118.70 122.95 1ufy s GLU 77 Ca 0.18 0.86 -0.31 0.00 0.00 0.00 0.00 54.97 55.70 1ufy s GLU 77 Cb -0.14 -2.13 -0.09 0.00 2.00 0.00 0.00 34.13 33.77 1ufy s GLU 77 CO 0.07 -0.37 1.54 0.08 -0.56 0.00 0.00 175.26 176.03 1ufy s VAL 78 N -2.81 2.82 -1.38 3.70 1.01 -1.26 -4.54 120.40 117.94 1ufy s VAL 78 Ca 0.57 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 1ufy s VAL 78 Cb -0.10 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1ufy s VAL 78 CO 0.39 0.04 2.08 -0.81 0.00 0.00 0.00 175.10 176.80 1ufy n PRO 79 N 4.21 3.26 -2.27 2.72 -0.04 -1.26 -4.98 135.00 136.64 1ufy n PRO 79 Ca 0.14 -3.05 -0.42 0.00 -0.04 0.00 0.00 63.50 60.13 1ufy n PRO 79 Cb 0.40 -3.09 -0.03 0.00 -0.04 0.00 0.00 33.50 30.73 1ufy n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ufy s VAL 80 N 1.76 3.49 0.22 0.52 1.01 -1.26 -4.95 120.40 121.19 1ufy s VAL 80 Ca 0.44 1.14 -0.32 0.00 0.00 0.00 0.00 61.98 63.24 1ufy s VAL 80 Cb 0.12 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 1ufy s VAL 80 CO -0.04 0.13 1.53 -2.65 0.00 0.00 0.00 175.10 174.06 1ufy n PRO 81 N 3.36 2.28 -0.99 2.72 -0.02 -1.26 -1.68 135.00 139.40 1ufy n PRO 81 Ca 0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1ufy n PRO 81 Cb 0.44 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1ufy n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ufy n GLY 82 N 2.74 0.96 3.88 -1.23 0.00 -1.26 -5.02 105.19 105.26 1ufy n GLY 82 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1ufy n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufy s SER 83 N -2.93 5.69 0.18 1.61 1.04 -0.68 -4.96 113.70 113.65 1ufy s SER 83 Ca 0.00 1.24 -0.32 0.00 0.48 0.00 0.00 55.95 57.36 1ufy s SER 83 Cb 0.00 -2.13 -0.11 0.00 0.10 0.00 0.00 66.02 63.88 1ufy s SER 83 CO 0.00 -1.20 1.72 -0.22 0.98 0.00 0.00 173.24 174.52 1ufy s LEU 84 N -5.31 4.38 0.58 2.42 2.96 -1.26 -4.98 118.68 117.46 1ufy s LEU 84 Ca 0.57 2.80 -0.15 0.00 -0.22 0.00 0.00 54.13 57.13 1ufy s LEU 84 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1ufy s LEU 84 CO 0.53 -0.95 1.03 -2.16 -1.32 0.00 0.00 176.35 173.47 1ufy s PRO 85 N 1.49 3.51 -1.13 0.98 0.04 -1.26 -4.52 135.00 134.11 1ufy s PRO 85 Ca 0.75 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.73 1ufy s PRO 85 Cb -0.48 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1ufy s PRO 85 CO 0.33 -0.64 0.86 0.54 0.04 0.00 0.00 177.00 178.13 1ufy n ARG 86 N -2.12 -2.84 -4.68 4.56 1.74 -1.26 -4.78 116.66 107.29 1ufy n ARG 86 Ca 0.07 0.72 -0.33 0.00 -0.77 0.00 0.00 57.85 57.54 1ufy n ARG 86 Cb 0.53 -5.28 -0.14 0.00 -1.02 0.00 0.00 32.46 26.56 1ufy n ARG 86 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ufy s VAL 87 N -3.45 3.31 -0.27 1.55 1.01 -1.26 -1.90 120.40 119.38 1ufy s VAL 87 Ca 0.35 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1ufy s VAL 87 Cb -0.07 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1ufy s VAL 87 CO 0.78 0.52 0.18 -0.63 0.00 0.00 0.00 175.10 175.95 1ufy s ILE 88 N 0.26 5.28 -0.00 2.22 1.01 -0.12 -2.26 121.20 127.58 1ufy s ILE 88 Ca -0.07 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.76 1ufy s ILE 88 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1ufy s ILE 88 CO 0.05 0.28 -0.06 -0.13 0.00 0.00 0.00 174.94 175.08 1ufy s ARG 89 N 1.58 2.60 -0.04 2.79 0.52 0.02 -1.33 118.95 125.10 1ufy s ARG 89 Ca 0.07 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1ufy s ARG 89 Cb -0.15 -2.54 -0.00 0.00 0.52 0.00 0.00 34.95 32.78 1ufy s ARG 89 CO 0.09 0.61 -0.16 0.08 0.02 0.00 0.00 175.30 175.94 1ufy s VAL 90 N -1.00 1.32 -0.32 3.52 1.01 -0.20 -1.00 120.40 123.72 1ufy s VAL 90 Ca 0.17 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1ufy s VAL 90 Cb -0.11 -1.13 0.09 0.00 0.00 0.00 0.00 36.38 35.23 1ufy s VAL 90 CO 0.08 0.38 0.02 -0.22 0.00 0.00 0.00 175.10 175.36 1ufy s LEU 91 N -0.01 4.20 -0.08 3.92 2.96 0.81 -1.03 118.68 129.45 1ufy s LEU 91 Ca -0.02 -1.92 -0.20 0.00 -0.22 0.00 0.00 54.13 51.77 1ufy s LEU 91 Cb -0.10 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1ufy s LEU 91 CO 0.01 -0.34 0.56 0.00 -1.32 0.00 0.00 176.35 175.27 1ufy s ALA 92 N 1.02 3.44 -0.38 5.97 0.00 -0.03 -0.83 121.76 130.96 1ufy s ALA 92 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 1ufy s ALA 92 Cb -0.19 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1ufy s ALA 92 CO -0.09 0.01 0.30 -0.51 0.00 0.00 0.00 175.76 175.47 1ufy s LEU 93 N 0.48 4.84 -0.22 0.00 1.43 0.06 -0.29 118.68 124.97 1ufy s LEU 93 Ca 0.30 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1ufy s LEU 93 Cb -0.16 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1ufy s LEU 93 CO 0.14 -0.38 0.00 0.86 0.23 0.00 0.00 176.35 177.20 1ufy s TRP 94 N 1.76 3.02 -0.59 0.29 -0.00 -0.10 -0.28 118.94 123.05 1ufy s TRP 94 Ca 0.07 -0.62 -0.28 0.00 -0.00 0.00 0.00 56.10 55.27 1ufy s TRP 94 Cb -0.18 -2.13 0.02 0.00 -0.00 0.00 0.00 33.47 31.18 1ufy s TRP 94 CO 0.11 -0.38 1.37 -0.80 -0.00 0.00 0.00 176.95 177.25 1ufy s ASN 95 N 1.32 6.17 0.08 5.86 0.01 0.09 -0.78 114.94 127.68 1ufy s ASN 95 Ca 0.04 0.17 -0.26 0.00 -0.71 0.00 0.00 52.86 52.11 1ufy s ASN 95 Cb -0.15 -2.55 0.08 0.00 0.41 0.00 0.00 41.25 39.04 1ufy s ASN 95 CO 0.01 -1.70 0.67 0.28 -1.51 0.00 0.00 177.10 174.85 1ufy s THR 96 N 5.89 0.00 -1.44 1.60 -1.32 -1.03 -4.91 115.64 114.43 1ufy s THR 96 Ca 0.49 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.16 1ufy s THR 96 Cb -0.10 -1.00 0.59 0.00 -1.51 0.00 0.00 72.50 70.48 1ufy s THR 96 CO 0.24 0.00 1.50 -0.90 -2.21 0.00 0.00 174.62 173.24 1ufy n ASP 97 N -0.01 3.94 -4.64 8.08 5.68 -1.26 -4.16 116.55 124.19 1ufy n ASP 97 Ca -0.16 -2.16 -0.48 0.00 -0.50 0.00 0.00 54.79 51.49 1ufy n ASP 97 Cb 0.62 -0.46 -0.04 0.00 -1.14 0.00 0.00 41.12 40.10 1ufy n ASP 97 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1ufy n THR 98 N 1.17 0.31 -1.63 2.12 -1.04 -1.26 -4.92 114.28 109.02 1ufy n THR 98 Ca 0.22 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.79 1ufy n THR 98 Cb 0.66 -1.25 0.08 0.00 -1.82 0.00 0.00 70.33 68.00 1ufy n THR 98 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ufy n PRO 99 N 2.69 0.97 -0.29 -2.82 -0.02 -1.26 -4.87 135.00 129.40 1ufy n PRO 99 Ca 0.16 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 62.13 1ufy n PRO 99 Cb 0.26 -2.52 0.33 0.00 -0.02 0.00 0.00 33.50 31.55 1ufy n PRO 99 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ufy h GLN 100 N 0.31 0.78 -0.00 -0.52 4.15 -1.97 -0.76 115.11 117.10 1ufy h GLN 100 Ca -0.50 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1ufy h GLN 100 Cb 1.33 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1ufy h GLN 100 CO 0.52 0.52 -0.00 -0.25 -1.93 0.00 0.00 178.83 177.69 1ufy n ASP 101 N -4.57 0.32 -0.41 -0.69 8.00 -1.26 -2.99 116.55 114.95 1ufy n ASP 101 Ca 0.17 -1.09 0.08 0.00 0.71 0.00 0.00 54.79 54.66 1ufy n ASP 101 Cb 0.40 -0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.51 1ufy n ASP 101 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ufy n ARG 102 N -0.76 1.63 -2.54 -1.24 1.74 -0.30 -4.94 116.66 110.24 1ufy n ARG 102 Ca 0.23 -0.93 -0.40 0.00 -0.77 0.00 0.00 57.85 55.98 1ufy n ARG 102 Cb 0.16 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1ufy n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ufy s VAL 103 N -1.73 3.72 -0.23 1.55 1.01 -1.14 -4.96 120.40 118.61 1ufy s VAL 103 Ca 0.14 1.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.74 1ufy s VAL 103 Cb 0.13 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1ufy s VAL 103 CO 0.35 0.37 -0.03 -0.13 0.00 0.00 0.00 175.10 175.65 1ufy s ARG 104 N -1.09 3.35 0.01 2.72 1.81 -1.26 -5.06 118.95 119.42 1ufy s ARG 104 Ca 0.45 -0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 53.72 1ufy s ARG 104 Cb -0.30 -3.05 -0.05 0.00 -0.45 0.00 0.00 34.95 31.10 1ufy s ARG 104 CO 0.37 -0.22 0.31 -1.01 -0.68 0.00 0.00 175.30 174.07 1ufy s HIS 105 N 1.48 3.61 -0.19 -0.53 3.76 -1.26 -4.77 115.29 117.38 1ufy s HIS 105 Ca 0.05 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1ufy s HIS 105 Cb -0.15 -2.07 0.04 0.00 1.11 0.00 0.00 32.58 31.51 1ufy s HIS 105 CO -0.03 0.61 -0.09 0.08 -0.85 0.00 0.00 174.74 174.46 1ufy s VAL 106 N -1.26 1.50 -0.21 -0.90 1.01 -0.40 -5.01 120.40 115.15 1ufy s VAL 106 Ca 0.27 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1ufy s VAL 106 Cb -0.14 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.67 1ufy s VAL 106 CO 0.15 0.16 -0.14 -0.31 0.00 0.00 0.00 175.10 174.95 1ufy s TYR 107 N 1.46 2.77 0.20 5.22 2.02 -1.26 -1.27 117.35 126.48 1ufy s TYR 107 Ca -0.01 -1.79 0.10 0.00 -0.37 0.00 0.00 57.07 55.00 1ufy s TYR 107 Cb -0.16 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1ufy s TYR 107 CO -0.08 -0.80 -0.15 -0.51 -1.57 0.00 0.00 175.55 172.44 1ufy s LEU 108 N 1.28 2.78 0.00 -1.29 1.43 -0.02 -4.26 118.68 118.60 1ufy s LEU 108 Ca -0.01 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1ufy s LEU 108 Cb -0.16 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1ufy s LEU 108 CO -0.09 0.10 0.00 0.54 0.23 0.00 0.00 176.35 177.13 1ufy n ARG 109 N 0.01 0.00 0.06 1.70 1.74 -1.26 -1.46 116.66 117.44 1ufy n ARG 109 Ca -0.11 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.07 1ufy n ARG 109 Cb 0.56 0.00 0.42 0.00 -1.02 0.00 0.00 32.46 32.42 1ufy n ARG 109 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ufy n GLU 110 N 14.00 0.09 0.12 5.56 -0.58 -1.26 -2.78 120.64 135.79 1ufy n GLU 110 Ca 0.00 0.28 0.10 0.00 -0.42 0.00 0.00 57.16 57.12 1ufy n GLU 110 Cb 0.00 -1.66 0.46 0.00 -0.57 0.00 0.00 31.44 29.68 1ufy n GLU 110 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ufy n ALA 111 N -1.62 1.42 0.06 0.62 0.00 -0.54 -1.39 120.51 119.06 1ufy n ALA 111 Ca 0.04 0.10 0.19 0.00 0.00 0.00 0.00 53.44 53.77 1ufy n ALA 111 Cb 0.23 -1.32 0.71 0.00 0.00 0.00 0.00 19.45 19.08 1ufy n ALA 111 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1ufy h VAL 112 N 0.00 0.67 0.00 0.00 -1.51 -1.64 -0.93 116.25 112.84 1ufy h VAL 112 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ufy h VAL 112 Cb 0.21 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1ufy h VAL 112 CO 0.00 0.00 -0.01 0.03 -1.23 0.00 0.00 177.57 176.36 1ufy h ARG 113 N 0.00 0.00 0.00 5.19 3.08 -1.50 -2.56 114.38 118.60 1ufy h ARG 113 Ca 0.21 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 1ufy h ARG 113 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1ufy h ARG 113 CO -0.00 0.01 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.43 1ufy h LEU 114 N 0.00 0.00 -6.08 3.04 3.38 -1.36 -3.39 115.31 110.90 1ufy h LEU 114 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ufy h LEU 114 Cb 0.26 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.62 1ufy h LEU 114 CO 0.00 0.40 -1.07 0.54 0.09 0.00 0.00 178.44 178.40 1ufy n ARG 115 N -3.76 0.64 0.29 1.13 5.12 -0.96 -4.94 116.66 114.18 1ufy n ARG 115 Ca -0.01 -3.24 0.16 0.00 -1.93 0.00 0.00 57.85 52.83 1ufy n ARG 115 Cb 0.48 -1.32 0.88 0.00 -1.16 0.00 0.00 32.46 31.34 1ufy n ARG 115 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1ufy h PRO 116 N 4.33 0.00 0.00 5.56 0.13 -1.76 -1.01 132.00 139.25 1ufy h PRO 116 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1ufy h PRO 116 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ufy h PRO 116 CO 0.45 0.05 -0.11 0.38 -0.23 0.00 0.00 178.00 178.55 1ufy h ASP 117 N 0.00 0.00 0.46 1.44 2.03 -1.92 -2.21 116.42 116.22 1ufy h ASP 117 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ufy h ASP 117 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1ufy h ASP 117 CO 0.01 0.11 -0.10 0.18 -1.03 0.00 0.00 179.24 178.41 1ufy n LEU 118 N -3.89 0.34 -4.79 0.15 4.77 -0.38 -4.69 117.00 108.51 1ufy n LEU 118 Ca -0.02 0.10 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 1ufy n LEU 118 Cb 0.20 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1ufy n LEU 118 CO 0.31 0.06 0.73 -1.61 -1.33 0.00 0.00 177.39 175.56 1ufy s GLU 119 N -2.56 4.05 0.16 3.23 8.01 -0.83 -5.03 118.70 125.74 1ufy s GLU 119 Ca 0.27 1.47 0.01 0.00 0.01 0.00 0.00 54.97 56.72 1ufy s GLU 119 Cb 0.20 -2.40 -0.04 0.00 -4.31 0.00 0.00 34.13 27.57 1ufy s GLU 119 CO 0.49 -0.23 0.03 -1.54 0.01 0.00 0.00 175.26 174.01 1ufy s SER 120 N -1.69 0.92 0.00 -0.19 1.04 -1.26 -5.06 113.70 107.45 1ufy s SER 120 Ca 0.61 -1.20 0.08 0.00 0.48 0.00 0.00 55.95 55.92 1ufy s SER 120 Cb -0.20 0.18 0.46 0.00 0.10 0.00 0.00 66.02 66.56 1ufy s SER 120 CO 0.25 -0.63 0.92 0.00 0.98 0.00 0.00 173.24 174.76