#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zug n GLN 2 N 0.00 0.00 -4.42 0.03 0.00 -1.26 -4.63 117.38 107.10 1zug n GLN 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.00 56.74 1zug n GLN 2 Cb 0.00 -2.25 -0.11 0.00 0.00 0.00 0.00 30.24 27.88 1zug n GLN 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1zug s THR 3 N -0.49 2.47 0.19 -0.39 -4.23 -1.26 -3.53 115.64 108.41 1zug s THR 3 Ca 0.00 -2.07 -0.14 0.00 -1.18 0.00 0.00 61.69 58.30 1zug s THR 3 Cb 0.00 -2.22 0.21 0.00 1.34 0.00 0.00 72.50 71.83 1zug s THR 3 CO 0.00 -0.18 1.26 0.18 -0.54 0.00 0.00 174.62 175.35 1zug n LEU 4 N 0.04 -0.51 -0.04 4.79 4.32 -1.22 -0.65 117.00 123.73 1zug n LEU 4 Ca -0.11 1.42 -0.14 0.00 -0.02 0.00 0.00 56.01 57.16 1zug n LEU 4 Cb 0.57 -0.33 -0.12 0.00 -1.62 0.00 0.00 43.42 41.91 1zug n LEU 4 CO 0.32 -1.28 0.41 0.77 -1.22 0.00 0.00 177.39 176.38 1zug h SER 5 N 0.00 0.08 0.52 -1.43 4.64 -1.80 -2.70 113.55 112.86 1zug h SER 5 Ca 0.29 -0.87 -0.03 0.00 -0.47 0.00 0.00 61.79 60.71 1zug h SER 5 Cb 0.49 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1zug h SER 5 CO -0.81 0.94 -0.25 -0.08 -0.87 0.00 0.00 176.83 175.76 1zug h GLU 6 N -0.78 -0.68 0.69 4.77 4.81 -1.71 -0.49 114.58 121.19 1zug h GLU 6 Ca -0.02 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1zug h GLU 6 Cb 0.97 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1zug h GLU 6 CO 0.02 -0.45 -0.47 0.00 -0.73 0.00 0.00 179.01 177.38 1zug h ARG 7 N -0.70 -1.07 -0.42 1.92 2.47 -1.01 -0.97 114.38 114.60 1zug h ARG 7 Ca -0.07 0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1zug h ARG 7 Cb 0.54 0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 29.08 1zug h ARG 7 CO 0.12 -0.71 0.27 1.25 0.56 0.00 0.00 179.97 181.46 1zug h LEU 8 N -1.11 0.46 0.22 3.04 5.85 -1.43 -2.28 115.31 120.08 1zug h LEU 8 Ca -0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1zug h LEU 8 Cb 0.91 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1zug h LEU 8 CO 0.06 0.33 -0.15 0.50 -0.34 0.00 0.00 178.44 178.85 1zug h LYS 9 N 0.55 -0.35 -0.90 1.25 3.64 -1.00 -1.74 116.57 118.02 1zug h LYS 9 Ca 0.16 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.68 1zug h LYS 9 Cb -0.05 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 1zug h LYS 9 CO -0.04 -0.24 0.58 0.87 -2.27 0.00 0.00 179.45 178.35 1zug h LYS 10 N -0.37 0.80 -0.19 1.90 6.56 -0.94 -2.15 116.57 122.18 1zug h LYS 10 Ca -0.02 -0.05 -0.10 0.00 -1.06 0.00 0.00 60.65 59.43 1zug h LYS 10 Cb 0.31 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1zug h LYS 10 CO 0.01 0.53 -0.26 -0.09 -2.06 0.00 0.00 179.45 177.57 1zug h ARG 11 N 0.82 0.51 -0.79 3.15 9.65 -1.16 -2.33 114.38 124.23 1zug h ARG 11 Ca 0.43 -0.30 0.19 0.00 -1.10 0.00 0.00 59.98 59.20 1zug h ARG 11 Cb 0.53 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.01 1zug h ARG 11 CO -0.20 0.89 0.18 0.00 2.80 0.00 0.00 179.97 183.65 1zug h ARG 12 N 0.17 0.23 0.69 0.20 3.08 -0.71 -0.98 114.38 117.05 1zug h ARG 12 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1zug h ARG 12 Cb 0.84 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1zug h ARG 12 CO 0.06 0.15 -0.33 0.82 -1.07 0.00 0.00 179.97 179.60 1zug h ILE 13 N 0.23 0.32 -0.83 2.04 2.04 -1.31 0.19 117.51 120.19 1zug h ILE 13 Ca 0.46 -0.03 0.14 0.00 1.00 0.00 0.00 64.86 66.43 1zug h ILE 13 Cb 0.85 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1zug h ILE 13 CO -0.58 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.12 1zug h ALA 14 N -0.63 1.92 -0.57 1.87 0.00 -0.84 -1.15 119.26 119.85 1zug h ALA 14 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1zug h ALA 14 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1zug h ALA 14 CO 0.15 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1zug n LEU 15 N -4.52 3.27 -3.30 0.00 4.77 -0.43 -4.98 117.00 111.82 1zug n LEU 15 Ca 0.16 -1.60 -0.24 0.00 -0.03 0.00 0.00 56.01 54.30 1zug n LEU 15 Cb 0.47 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1zug n LEU 15 CO 0.31 0.80 0.08 0.29 -1.33 0.00 0.00 177.39 177.54 1zug n LYS 16 N 1.30 -5.71 -4.16 3.23 4.01 -0.36 -4.98 118.16 111.50 1zug n LYS 16 Ca 0.20 0.82 -0.35 0.00 -0.51 0.00 0.00 58.31 58.48 1zug n LYS 16 Cb 0.53 -5.73 -0.13 0.00 -0.51 0.00 0.00 35.03 29.19 1zug n LYS 16 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1zug s MET 17 N -5.99 3.60 0.32 1.97 -1.94 0.52 -5.00 119.30 112.77 1zug s MET 17 Ca 0.43 -0.53 -0.11 0.00 -1.71 0.00 0.00 55.69 53.76 1zug s MET 17 Cb -0.20 -3.02 -0.07 0.00 2.01 0.00 0.00 34.83 33.55 1zug s MET 17 CO 0.53 0.05 0.68 0.95 -0.01 0.00 0.00 175.02 177.22 1zug s THR 18 N 0.87 4.82 0.33 2.05 -4.23 -1.26 -4.43 115.64 113.78 1zug s THR 18 Ca 0.00 0.62 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 1zug s THR 18 Cb -0.14 -3.66 0.31 0.00 1.34 0.00 0.00 72.50 70.35 1zug s THR 18 CO 0.02 -0.27 1.84 1.56 -0.54 0.00 0.00 174.62 177.23 1zug h GLN 19 N 1.97 0.75 -0.19 3.99 4.20 -1.98 -0.18 115.11 123.67 1zug h GLN 19 Ca -0.47 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.22 1zug h GLN 19 Cb 1.18 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1zug h GLN 19 CO 0.66 0.50 0.02 1.15 -0.67 0.00 0.00 178.83 180.48 1zug h THR 20 N 0.77 0.89 -0.22 -0.54 2.02 -1.94 0.26 112.91 114.15 1zug h THR 20 Ca 0.49 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.67 1zug h THR 20 Cb 0.73 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1zug h THR 20 CO -0.26 0.02 0.04 -0.08 0.37 0.00 0.00 175.52 175.61 1zug h GLU 21 N 0.08 0.12 -0.47 6.66 4.22 -1.74 -1.82 114.58 121.63 1zug h GLU 21 Ca 0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 1zug h GLU 21 Cb 0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1zug h GLU 21 CO -0.13 0.08 0.23 1.25 -2.18 0.00 0.00 179.01 178.26 1zug h LEU 22 N 0.12 0.62 -0.26 1.64 5.85 -0.94 -1.09 115.31 121.25 1zug h LEU 22 Ca 0.10 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1zug h LEU 22 Cb 0.10 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 1zug h LEU 22 CO -0.14 0.57 -0.22 0.00 -0.34 0.00 0.00 178.44 178.31 1zug h ALA 23 N 1.07 -0.08 -0.00 1.25 0.00 -0.06 0.17 119.26 121.60 1zug h ALA 23 Ca 0.16 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1zug h ALA 23 Cb 0.11 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1zug h ALA 23 CO -0.02 -0.64 -0.05 1.15 0.00 0.00 0.00 179.25 179.69 1zug h THR 24 N -0.22 0.87 -0.36 0.00 2.02 -1.13 -0.06 112.91 114.02 1zug h THR 24 Ca 0.14 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 1zug h THR 24 Cb 0.44 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1zug h THR 24 CO -0.38 0.00 -0.13 0.50 0.37 0.00 0.00 175.52 175.88 1zug h LYS 25 N -0.09 0.73 0.00 6.66 3.64 -0.93 -3.09 116.57 123.49 1zug h LYS 25 Ca 0.02 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1zug h LYS 25 Cb 0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1zug h LYS 25 CO -0.05 0.90 0.00 0.00 -2.27 0.00 0.00 179.45 178.03 1zug n ALA 26 N -2.45 1.84 -2.58 5.00 0.00 0.56 -4.86 120.51 118.01 1zug n ALA 26 Ca -0.02 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1zug n ALA 26 Cb 0.38 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.46 1zug n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zug n GLY 27 N 0.38 0.15 1.07 0.00 0.00 -0.78 -4.69 105.19 101.32 1zug n GLY 27 Ca 0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 1zug n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1zug n VAL 28 N -3.79 0.00 -4.12 1.61 0.24 -0.11 -5.04 118.33 107.12 1zug n VAL 28 Ca -0.05 -0.75 -0.31 0.00 -2.04 0.00 0.00 64.34 61.19 1zug n VAL 28 Cb 0.55 0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 1zug n VAL 28 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1zug s LYS 29 N -2.50 2.78 0.19 7.34 2.47 -1.26 -4.04 119.74 124.73 1zug s LYS 29 Ca 0.06 -0.70 -0.12 0.00 -1.56 0.00 0.00 55.97 53.66 1zug s LYS 29 Cb 0.00 -2.68 0.20 0.00 -1.46 0.00 0.00 37.83 33.90 1zug s LYS 29 CO 0.04 0.58 1.75 0.37 0.16 0.00 0.00 175.35 178.26 1zug h GLN 30 N 3.59 0.40 -0.76 4.03 -0.00 -1.90 -2.22 115.11 118.24 1zug h GLN 30 Ca -0.48 -0.02 0.14 0.00 -0.00 0.00 0.00 58.65 58.29 1zug h GLN 30 Cb 1.17 -0.09 -0.09 0.00 0.00 0.00 0.00 27.48 28.47 1zug h GLN 30 CO 0.62 0.26 0.32 1.96 0.00 0.00 0.00 178.83 182.00 1zug h GLN 31 N 0.41 0.46 -0.41 1.69 7.50 -1.96 -0.83 115.11 121.97 1zug h GLN 31 Ca 0.26 -0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.43 1zug h GLN 31 Cb 0.27 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.66 1zug h GLN 31 CO -0.25 0.31 0.18 0.77 -1.50 0.00 0.00 178.83 178.33 1zug h SER 32 N 0.48 0.23 0.19 1.46 0.02 -1.82 -2.40 113.55 111.70 1zug h SER 32 Ca 0.41 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.25 1zug h SER 32 Cb 0.61 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1zug h SER 32 CO -0.39 0.17 -0.56 0.40 -1.14 0.00 0.00 176.83 175.31 1zug h ILE 33 N 0.36 1.35 -0.79 3.27 2.04 -1.16 -2.69 117.51 119.89 1zug h ILE 33 Ca 0.19 -1.85 0.12 0.00 1.00 0.00 0.00 64.86 64.32 1zug h ILE 33 Cb 0.13 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1zug h ILE 33 CO -0.16 0.56 0.52 1.56 0.00 0.00 0.00 178.15 180.63 1zug h GLN 34 N 0.30 0.59 -0.14 2.37 1.08 -0.80 -0.81 115.11 117.70 1zug h GLN 34 Ca 0.00 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 1zug h GLN 34 Cb 1.08 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1zug h GLN 34 CO 0.10 0.39 0.12 -0.07 -0.95 0.00 0.00 178.83 178.41 1zug h LEU 35 N 0.60 0.00 0.00 1.46 4.07 -1.09 0.62 115.31 120.97 1zug h LEU 35 Ca 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 1zug h LEU 35 Cb 0.64 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 1zug h LEU 35 CO -0.15 0.00 -0.03 0.40 -1.08 0.00 0.00 178.44 177.58 1zug h ILE 36 N 0.00 1.03 -0.83 1.22 1.08 -1.29 -0.43 117.51 118.29 1zug h ILE 36 Ca 0.07 -1.78 0.02 0.00 -0.39 0.00 0.00 64.86 62.78 1zug h ILE 36 Cb 0.31 1.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 1zug h ILE 36 CO -0.00 0.35 0.55 -0.08 -0.69 0.00 0.00 178.15 178.27 1zug h GLU 37 N -1.00 1.04 0.00 2.37 4.57 -0.54 0.01 114.58 121.02 1zug h GLU 37 Ca -0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1zug h GLU 37 Cb 0.60 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1zug h GLU 37 CO -0.00 0.69 0.00 0.00 -1.18 0.00 0.00 179.01 178.51 1zug n ALA 38 N -2.41 2.49 -3.46 2.92 0.00 0.21 -4.72 120.51 115.53 1zug n ALA 38 Ca 0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 1zug n ALA 38 Cb 0.07 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.17 1zug n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zug n GLY 39 N 0.69 -0.35 0.42 0.00 0.00 -0.01 -4.96 105.19 100.98 1zug n GLY 39 Ca 0.20 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 1zug n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1zug n VAL 40 N -4.15 0.65 -3.11 1.61 0.31 -0.31 -4.91 118.33 108.42 1zug n VAL 40 Ca -0.29 -0.19 -0.45 0.00 -0.01 0.00 0.00 64.34 63.39 1zug n VAL 40 Cb 0.67 -1.37 -0.02 0.00 -0.91 0.00 0.00 33.84 32.21 1zug n VAL 40 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1zug s THR 41 N -2.22 5.25 0.28 2.52 2.01 -0.41 -4.90 115.64 118.17 1zug s THR 41 Ca -0.16 -2.32 0.01 0.00 0.31 0.00 0.00 61.69 59.53 1zug s THR 41 Cb 0.05 -4.68 0.26 0.00 0.01 0.00 0.00 72.50 68.14 1zug s THR 41 CO 0.23 -1.34 1.76 0.07 -0.69 0.00 0.00 174.62 174.65 1zug h LYS 42 N 7.88 0.64 -4.69 4.92 2.10 -1.91 -3.34 116.57 122.17 1zug h LYS 42 Ca 0.18 -0.04 -0.66 0.00 -2.00 0.00 0.00 60.65 58.13 1zug h LYS 42 Cb 0.98 -0.14 -0.39 0.00 -0.90 0.00 0.00 32.23 31.77 1zug h LYS 42 CO 1.01 0.42 -0.74 0.50 -2.00 0.00 0.00 179.45 178.65 1zug s ARG 43 N -5.93 1.60 -0.10 0.07 3.52 -1.26 -5.03 118.95 111.82 1zug s ARG 43 Ca -0.12 -1.76 -0.30 0.00 -0.13 0.00 0.00 55.73 53.42 1zug s ARG 43 Cb 0.23 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 1zug s ARG 43 CO 0.79 -0.87 1.09 -1.25 -0.81 0.00 0.00 175.30 174.24 1zug s PRO 44 N 0.96 4.38 0.06 5.12 0.04 -1.25 -4.96 135.00 139.34 1zug s PRO 44 Ca 0.07 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.44 1zug s PRO 44 Cb -0.19 -3.56 -0.13 0.00 0.04 0.00 0.00 34.50 30.66 1zug s PRO 44 CO -0.08 -0.40 1.35 0.00 0.04 0.00 0.00 177.00 177.91 1zug h ARG 45 N 7.30 0.51 -0.25 4.56 -0.00 -1.99 -3.28 114.38 121.23 1zug h ARG 45 Ca -0.31 -0.30 0.00 0.00 -0.50 0.00 0.00 59.98 58.87 1zug h ARG 45 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.14 1zug h ARG 45 CO 0.88 0.89 0.00 1.97 0.00 0.00 0.00 179.97 183.71 1zug n PHE 46 N -4.39 0.00 -0.25 3.04 1.16 -1.26 -4.16 117.46 111.60 1zug n PHE 46 Ca -0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.45 1zug n PHE 46 Cb 0.44 -0.03 0.04 0.00 -1.61 0.00 0.00 39.48 38.33 1zug n PHE 46 CO 0.00 0.00 0.00 1.37 -1.87 0.00 0.00 176.76 176.26 1zug h LEU 47 N 0.23 1.01 -0.42 5.98 -0.00 -1.98 -2.01 115.31 118.12 1zug h LEU 47 Ca 0.00 -0.22 0.03 0.00 -0.00 0.00 0.00 57.88 57.69 1zug h LEU 47 Cb 0.13 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.49 1zug h LEU 47 CO 0.00 0.96 0.23 0.15 -0.00 0.00 0.00 178.44 179.77 1zug h PHE 48 N 1.00 0.42 0.59 0.17 3.57 -1.89 0.15 116.94 120.95 1zug h PHE 48 Ca 0.22 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1zug h PHE 48 Cb 0.32 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1zug h PHE 48 CO 0.02 0.23 -0.42 0.93 -2.23 0.00 0.00 178.31 176.85 1zug h GLU 49 N 0.46 -0.93 -0.52 1.11 3.07 -1.76 -0.36 114.58 115.64 1zug h GLU 49 Ca 0.17 0.06 0.07 0.00 -0.50 0.00 0.00 59.36 59.17 1zug h GLU 49 Cb 0.05 0.21 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 1zug h GLU 49 CO -0.10 -0.62 0.18 0.82 -1.40 0.00 0.00 179.01 177.88 1zug h ILE 50 N -0.97 0.81 0.53 3.13 2.04 -1.12 -1.50 117.51 120.42 1zug h ILE 50 Ca -0.07 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1zug h ILE 50 Cb 0.80 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1zug h ILE 50 CO 0.04 0.06 -0.27 0.00 0.00 0.00 0.00 178.15 177.98 1zug h ALA 51 N 1.35 -0.73 0.00 1.87 0.00 -0.48 0.77 119.26 122.04 1zug h ALA 51 Ca 0.25 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1zug h ALA 51 Cb 0.28 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1zug h ALA 51 CO -0.26 -0.92 -0.46 0.52 0.00 0.00 0.00 179.25 178.13 1zug h MET 52 N -0.73 0.00 -0.04 0.00 2.86 -0.92 0.25 114.93 116.34 1zug h MET 52 Ca -0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1zug h MET 52 Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1zug h MET 52 CO 0.10 0.46 0.01 0.00 1.06 0.00 0.00 176.91 178.55 1zug h ALA 53 N 1.54 0.06 0.00 6.32 0.00 -1.11 -3.23 119.26 122.83 1zug h ALA 53 Ca -0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1zug h ALA 53 Cb 0.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1zug h ALA 53 CO 0.06 -0.33 -0.43 1.25 0.00 0.00 0.00 179.25 179.81 1zug h LEU 54 N -0.14 0.00 -1.86 0.00 6.46 -0.31 -3.48 115.31 115.98 1zug h LEU 54 Ca 0.01 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.55 1zug h LEU 54 Cb 0.23 0.00 0.12 0.00 -0.73 0.00 0.00 40.66 40.28 1zug h LEU 54 CO -0.00 0.43 -0.54 0.59 -0.62 0.00 0.00 178.44 178.30 1zug n ASN 55 N -3.69 -2.41 -4.37 1.25 3.02 0.68 -4.98 115.26 104.77 1zug n ASN 55 Ca -0.01 -0.44 -0.18 0.00 -0.03 0.00 0.00 54.58 53.92 1zug n ASN 55 Cb 0.51 -3.70 -0.10 0.00 -0.61 0.00 0.00 39.78 35.87 1zug n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zug s ASP 57 N -3.36 6.75 0.14 0.00 -1.08 -1.08 -4.09 116.67 113.95 1zug s ASP 57 Ca 0.30 0.91 -0.21 0.00 -0.52 0.00 0.00 52.55 53.03 1zug s ASP 57 Cb 0.06 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1zug s ASP 57 CO 0.10 -0.19 1.67 -0.65 0.52 0.00 0.00 175.17 176.62 1zug h PRO 58 N 7.19 -0.15 0.03 4.34 0.11 -1.87 0.06 132.00 141.71 1zug h PRO 58 Ca -0.35 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.78 1zug h PRO 58 Cb 1.16 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1zug h PRO 58 CO 0.77 -0.10 -0.08 0.28 -0.21 0.00 0.00 178.00 178.65 1zug h VAL 59 N -0.16 0.80 -0.16 3.15 2.07 -1.87 -2.97 116.25 117.12 1zug h VAL 59 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1zug h VAL 59 Cb 0.32 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1zug h VAL 59 CO -0.28 0.00 -0.05 -0.25 0.02 0.00 0.00 177.57 177.01 1zug h TRP 60 N -0.16 -0.10 -0.29 1.57 7.01 -0.91 0.44 115.95 123.52 1zug h TRP 60 Ca 0.02 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.07 1zug h TRP 60 Cb 0.18 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 1zug h TRP 60 CO -0.13 -0.08 0.20 1.37 -2.79 0.00 0.00 178.44 177.00 1zug h LEU 61 N -0.01 0.21 0.03 0.65 8.10 -0.88 0.85 115.31 124.26 1zug h LEU 61 Ca 0.08 -0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.75 1zug h LEU 61 Cb 0.13 -0.05 -0.04 0.00 -0.44 0.00 0.00 40.66 40.27 1zug h LEU 61 CO -0.17 0.14 -1.72 1.67 -4.11 0.00 0.00 178.44 174.25 1zug n GLN 62 N -4.49 0.63 -0.00 0.17 7.27 -0.88 -3.42 117.38 116.65 1zug n GLN 62 Ca 0.02 0.42 0.06 0.00 0.07 0.00 0.00 57.00 57.57 1zug n GLN 62 Cb 0.19 -1.69 -0.08 0.00 2.41 0.00 0.00 30.24 31.07 1zug n GLN 62 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1zug n TYR 63 N -4.09 0.00 -0.03 3.69 4.01 0.15 -3.66 117.16 117.24 1zug n TYR 63 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1zug n TYR 63 Cb 0.83 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1zug n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1zug n GLY 64 N 1.59 0.72 3.35 2.72 0.00 0.28 -4.88 105.19 108.98 1zug n GLY 64 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1zug n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1zug s THR 65 N -2.28 3.30 -0.87 2.61 -1.32 -1.26 -4.85 115.64 110.98 1zug s THR 65 Ca 0.00 -0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 59.69 1zug s THR 65 Cb 0.00 -2.45 0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1zug s THR 65 CO 0.00 0.47 1.35 -0.75 -2.21 0.00 0.00 174.62 173.48 1zug s LYS 66 N 0.90 3.38 -0.96 7.08 2.36 -1.26 -1.98 119.74 129.26 1zug s LYS 66 Ca -0.02 -0.70 -0.24 0.00 -2.55 0.00 0.00 55.97 52.47 1zug s LYS 66 Cb -0.15 -4.74 0.03 0.00 -1.05 0.00 0.00 37.83 31.92 1zug s LYS 66 CO 0.00 -2.16 1.52 0.50 1.55 0.00 0.00 175.35 176.77 1zug s ARG 67 N 5.28 3.35 0.00 4.03 3.00 -1.26 -4.94 118.95 128.41 1zug s ARG 67 Ca 0.40 -0.84 0.00 0.00 -1.00 0.00 0.00 55.73 54.29 1zug s ARG 67 Cb -0.04 -5.15 0.00 0.00 0.00 0.00 0.00 34.95 29.76 1zug s ARG 67 CO 0.03 -2.40 0.00 0.41 0.00 0.00 0.00 175.30 173.33 1zug n GLY 68 N 6.68 0.00 0.27 8.12 0.00 -1.26 -0.71 105.19 118.28 1zug n GLY 68 Ca 0.30 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.34 1zug n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1zug h LYS 69 N 0.00 0.45 -3.85 1.61 1.57 -2.04 -3.33 116.57 110.98 1zug h LYS 69 Ca 0.00 -0.08 -0.75 0.00 -1.87 0.00 0.00 60.65 57.94 1zug h LYS 69 Cb 0.00 -0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.07 1zug h LYS 69 CO 0.00 0.46 1.77 0.00 -0.57 0.00 0.00 179.45 181.12 1zug n ALA 70 N -2.48 4.92 0.00 3.86 0.00 0.11 -5.15 120.51 121.76 1zug n ALA 70 Ca 0.01 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1zug n ALA 70 Cb 0.22 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.69 1zug n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50