#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 -1.47 0.03 3.00 -1.26 -4.41 117.38 113.27 1zug n GLN 2 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1zug n GLN 2 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 30.24 30.32 1zug n GLN 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1zug s THR 3 N 0.00 2.59 0.29 5.09 -1.32 -1.26 -1.31 115.64 119.72 1zug s THR 3 Ca 0.00 0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.79 1zug s THR 3 Cb 0.00 -2.79 0.38 0.00 -1.51 0.00 0.00 72.50 68.58 1zug s THR 3 CO 0.00 -0.17 1.44 0.18 -2.21 0.00 0.00 174.62 173.86 1zug n LEU 4 N -2.77 -0.06 0.03 9.08 4.32 -0.87 -0.88 117.00 125.85 1zug n LEU 4 Ca 0.12 1.56 -0.10 0.00 -0.02 0.00 0.00 56.01 57.57 1zug n LEU 4 Cb 0.51 -0.59 -0.08 0.00 -1.62 0.00 0.00 43.42 41.65 1zug n LEU 4 CO 0.48 -1.60 0.37 0.77 -1.22 0.00 0.00 177.39 176.19 1zug h SER 5 N 0.00 -0.15 0.28 -1.43 4.64 -1.78 -3.15 113.55 111.96 1zug h SER 5 Ca 0.58 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1zug h SER 5 Cb 1.24 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1zug h SER 5 CO -0.85 0.45 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.10 1zug h GLU 6 N -0.88 -0.36 -0.34 4.77 4.39 -1.45 -0.64 114.58 120.07 1zug h GLU 6 Ca -0.02 0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1zug h GLU 6 Cb 0.54 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1zug h GLU 6 CO 0.03 -0.13 -0.37 -0.09 -1.16 0.00 0.00 179.01 177.30 1zug h ARG 7 N -0.54 0.79 0.16 2.33 9.65 -1.19 -1.62 114.38 123.97 1zug h ARG 7 Ca -0.04 -0.40 -0.01 0.00 -1.10 0.00 0.00 59.98 58.43 1zug h ARG 7 Cb 0.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1zug h ARG 7 CO 0.06 1.03 -0.08 1.25 2.80 0.00 0.00 179.97 185.04 1zug h LEU 8 N 0.66 -0.18 -0.45 3.80 5.85 -1.49 -3.09 115.31 120.41 1zug h LEU 8 Ca 0.06 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1zug h LEU 8 Cb 0.92 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.90 1zug h LEU 8 CO 0.08 0.03 -0.32 0.50 -0.34 0.00 0.00 178.44 178.40 1zug h LYS 9 N -0.39 -0.21 -0.67 1.25 3.64 -0.97 -2.37 116.57 116.86 1zug h LYS 9 Ca -0.02 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 1zug h LYS 9 Cb 0.30 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.04 1zug h LYS 9 CO 0.04 -0.14 -0.26 -0.22 -2.27 0.00 0.00 179.45 176.60 1zug h LYS 10 N -0.22 -0.07 -0.56 1.90 3.64 -1.29 -0.67 116.57 119.30 1zug h LYS 10 Ca 0.19 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1zug h LYS 10 Cb 0.53 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1zug h LYS 10 CO -0.57 -0.05 -0.07 -0.09 -2.27 0.00 0.00 179.45 176.40 1zug h ARG 11 N -0.08 1.03 -0.38 1.90 9.65 -1.40 -0.06 114.38 125.05 1zug h ARG 11 Ca 0.29 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1zug h ARG 11 Cb 0.54 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1zug h ARG 11 CO -0.72 1.05 0.16 -0.09 2.80 0.00 0.00 179.97 183.17 1zug h ARG 12 N 0.92 0.53 0.27 0.20 2.43 -0.82 0.10 114.38 118.01 1zug h ARG 12 Ca 0.15 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1zug h ARG 12 Cb 0.64 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1zug h ARG 12 CO 0.04 0.44 -0.13 0.82 -1.51 0.00 0.00 179.97 179.63 1zug h ILE 13 N 0.53 0.70 -0.86 1.20 2.04 -0.88 -0.64 117.51 119.60 1zug h ILE 13 Ca 0.13 -0.79 0.19 0.00 1.00 0.00 0.00 64.86 65.40 1zug h ILE 13 Cb 0.10 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1zug h ILE 13 CO -0.01 0.14 0.57 0.00 0.00 0.00 0.00 178.15 178.85 1zug h ALA 14 N -0.32 2.22 -0.02 1.87 0.00 -0.56 -0.83 119.26 121.61 1zug h ALA 14 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zug h ALA 14 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1zug h ALA 14 CO 0.06 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1zug n LEU 15 N -4.49 1.32 -3.79 0.00 4.77 -0.02 -4.97 117.00 109.84 1zug n LEU 15 Ca 0.18 -0.44 -0.26 0.00 -0.03 0.00 0.00 56.01 55.46 1zug n LEU 15 Cb 0.67 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.79 1zug n LEU 15 CO 0.32 0.22 0.05 0.29 -1.33 0.00 0.00 177.39 176.94 1zug n LYS 16 N 0.04 -5.54 -4.48 3.23 4.01 -0.32 -5.00 118.16 110.10 1zug n LYS 16 Ca 0.20 0.63 -0.30 0.00 -0.51 0.00 0.00 58.31 58.33 1zug n LYS 16 Cb 0.32 -5.41 -0.13 0.00 -0.51 0.00 0.00 35.03 29.31 1zug n LYS 16 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1zug s MET 17 N -6.30 1.72 0.08 1.97 1.75 -0.26 -5.05 119.30 113.21 1zug s MET 17 Ca 0.37 -1.19 0.05 0.00 -1.25 0.00 0.00 55.69 53.67 1zug s MET 17 Cb -0.18 -2.04 -0.04 0.00 2.84 0.00 0.00 34.83 35.41 1zug s MET 17 CO 0.81 0.49 -0.04 -0.08 -0.65 0.00 0.00 175.02 175.55 1zug s THR 18 N -1.03 3.80 0.24 10.11 -1.32 -1.26 -4.51 115.64 121.66 1zug s THR 18 Ca 0.15 -1.03 -0.05 0.00 -1.21 0.00 0.00 61.69 59.55 1zug s THR 18 Cb -0.10 -2.78 0.21 0.00 -1.51 0.00 0.00 72.50 68.32 1zug s THR 18 CO 0.07 0.16 1.71 1.56 -2.21 0.00 0.00 174.62 175.91 1zug h GLN 19 N 3.64 0.34 -0.96 7.08 4.20 -1.97 0.30 115.11 127.74 1zug h GLN 19 Ca -0.48 -0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.39 1zug h GLN 19 Cb 1.17 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.78 1zug h GLN 19 CO 0.57 0.22 0.61 0.00 -0.67 0.00 0.00 178.83 179.56 1zug h THR 20 N 0.35 0.75 -0.17 -0.54 1.03 -1.95 0.28 112.91 112.66 1zug h THR 20 Ca 0.40 -0.24 -0.02 0.00 -0.01 0.00 0.00 66.41 66.54 1zug h THR 20 Cb 0.64 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 67.71 1zug h THR 20 CO -0.44 0.13 0.02 -0.08 -0.01 0.00 0.00 175.52 175.13 1zug h GLU 21 N 0.69 0.29 -0.30 0.00 4.81 -1.37 -0.13 114.58 118.57 1zug h GLU 21 Ca 0.52 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1zug h GLU 21 Cb 0.90 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1zug h GLU 21 CO -0.28 0.48 0.18 1.25 -0.73 0.00 0.00 179.01 179.91 1zug h LEU 22 N 0.06 0.35 -0.41 1.64 5.85 -0.84 -1.81 115.31 120.16 1zug h LEU 22 Ca 0.05 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1zug h LEU 22 Cb 0.34 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1zug h LEU 22 CO 0.01 0.29 0.22 0.00 -0.34 0.00 0.00 178.44 178.62 1zug h ALA 23 N 1.08 0.52 0.22 1.25 0.00 -0.16 0.16 119.26 122.32 1zug h ALA 23 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1zug h ALA 23 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1zug h ALA 23 CO -0.02 -0.12 -0.11 1.15 0.00 0.00 0.00 179.25 180.15 1zug h THR 24 N 0.45 0.84 -0.56 0.00 2.02 -0.77 0.20 112.91 115.08 1zug h THR 24 Ca 0.17 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1zug h THR 24 Cb 0.05 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1zug h THR 24 CO -0.10 0.07 0.35 0.11 0.37 0.00 0.00 175.52 176.32 1zug h LYS 25 N -0.45 0.69 0.00 6.66 1.57 -1.19 -2.43 116.57 121.42 1zug h LYS 25 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1zug h LYS 25 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1zug h LYS 25 CO 0.05 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.39 1zug n ALA 26 N -2.27 1.67 -2.70 3.86 0.00 0.53 -4.85 120.51 116.75 1zug n ALA 26 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1zug n ALA 26 Cb 0.05 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 0.01 0.37 3.41 0.00 0.00 -0.19 -4.65 105.19 104.15 1zug n GLY 27 Ca 0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1zug n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zug s VAL 28 N -2.94 0.00 0.38 1.61 -7.23 0.52 -5.01 120.40 107.73 1zug s VAL 28 Ca 0.15 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1zug s VAL 28 Cb -0.07 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1zug s VAL 28 CO 0.19 0.00 0.66 -0.54 -0.31 0.00 0.00 175.10 175.10 1zug s LYS 29 N -3.42 3.59 0.13 4.82 -0.14 -1.26 -3.62 119.74 119.84 1zug s LYS 29 Ca 0.33 0.06 -0.19 0.00 -1.36 0.00 0.00 55.97 54.81 1zug s LYS 29 Cb 0.01 -2.53 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 1zug s LYS 29 CO 0.19 0.03 1.77 0.37 -0.76 0.00 0.00 175.35 176.96 1zug h GLN 30 N 0.95 0.27 -0.94 1.68 4.15 -1.89 -2.66 115.11 116.66 1zug h GLN 30 Ca -0.48 -0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.13 1zug h GLN 30 Cb 1.20 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.75 1zug h GLN 30 CO 0.63 0.18 0.61 1.96 -1.93 0.00 0.00 178.83 180.28 1zug h GLN 31 N 0.28 0.46 -0.51 1.69 7.50 -1.96 -0.35 115.11 122.21 1zug h GLN 31 Ca 0.09 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.22 1zug h GLN 31 Cb -0.01 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.39 1zug h GLN 31 CO -0.04 0.30 0.33 0.77 -1.50 0.00 0.00 178.83 178.69 1zug h SER 32 N 0.47 0.56 0.36 1.46 0.02 -1.88 -2.43 113.55 112.11 1zug h SER 32 Ca 0.50 -0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 61.14 1zug h SER 32 Cb 1.15 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.58 1zug h SER 32 CO -0.22 0.41 -1.29 0.40 -1.14 0.00 0.00 176.83 174.99 1zug h ILE 33 N 0.67 1.37 -0.95 3.27 1.08 -1.16 -3.15 117.51 118.63 1zug h ILE 33 Ca 0.19 -2.73 0.15 0.00 -0.39 0.00 0.00 64.86 62.09 1zug h ILE 33 Cb -0.05 2.85 -0.08 0.00 -3.07 0.00 0.00 36.82 36.47 1zug h ILE 33 CO -0.05 0.81 0.60 1.56 -0.69 0.00 0.00 178.15 180.38 1zug h GLN 34 N 0.17 0.75 -0.58 2.37 4.20 -1.08 -1.55 115.11 119.39 1zug h GLN 34 Ca -0.18 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.60 1zug h GLN 34 Cb 1.98 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.56 1zug h GLN 34 CO 0.23 0.50 0.40 -0.07 -0.67 0.00 0.00 178.83 179.22 1zug h LEU 35 N 0.78 0.28 0.25 1.46 3.38 -1.39 0.42 115.31 120.48 1zug h LEU 35 Ca 0.49 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 1zug h LEU 35 Cb 0.73 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1zug h LEU 35 CO -0.26 0.17 -0.12 0.40 0.09 0.00 0.00 178.44 178.72 1zug h ILE 36 N 0.31 0.45 -0.71 1.22 2.04 -1.42 -0.74 117.51 118.67 1zug h ILE 36 Ca 0.27 -0.92 0.11 0.00 1.00 0.00 0.00 64.86 65.33 1zug h ILE 36 Cb 0.65 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1zug h ILE 36 CO -0.07 0.12 0.47 -0.08 0.00 0.00 0.00 178.15 178.59 1zug h GLU 37 N -0.99 0.49 0.00 2.37 4.22 -0.77 -0.13 114.58 119.77 1zug h GLU 37 Ca -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1zug h GLU 37 Cb 0.45 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1zug h GLU 37 CO 0.06 0.33 0.00 0.00 -2.18 0.00 0.00 179.01 177.21 1zug n ALA 38 N -2.50 1.93 -1.97 2.92 0.00 0.14 -4.70 120.51 116.34 1zug n ALA 38 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1zug n ALA 38 Cb 0.41 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.57 0.32 0.16 0.00 0.00 -0.06 -4.99 105.19 101.19 1zug n GLY 39 Ca 0.05 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.94 1.47 -3.17 1.61 0.31 -0.44 -4.79 118.33 109.38 1zug n VAL 40 Ca -0.02 -0.43 -0.44 0.00 -0.01 0.00 0.00 64.34 63.45 1zug n VAL 40 Cb 0.48 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1zug n VAL 40 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1zug n THR 41 N -3.94 4.94 0.09 2.52 -1.04 -0.41 -4.84 114.28 111.60 1zug n THR 41 Ca -0.51 -5.67 0.02 0.00 -2.04 0.00 0.00 64.05 55.85 1zug n THR 41 Cb 0.90 -2.32 0.11 0.00 -1.82 0.00 0.00 70.33 67.21 1zug n THR 41 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1zug n LYS 42 N 1.95 0.02 -3.55 -2.82 5.02 -1.26 -3.95 118.16 113.57 1zug n LYS 42 Ca 0.25 0.48 -0.27 0.00 -2.02 0.00 0.00 58.31 56.74 1zug n LYS 42 Cb 0.36 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 1zug n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1zug s ARG 43 N -3.06 0.17 0.17 1.97 1.81 -1.26 -5.03 118.95 113.72 1zug s ARG 43 Ca 0.01 -0.37 -0.25 0.00 -1.72 0.00 0.00 55.73 53.40 1zug s ARG 43 Cb 0.02 -1.30 -0.08 0.00 -0.45 0.00 0.00 34.95 33.14 1zug s ARG 43 CO 0.06 -0.92 0.77 -2.14 -0.68 0.00 0.00 175.30 172.39 1zug s PRO 44 N 2.13 4.53 0.03 3.54 0.02 -1.25 -5.01 135.00 138.99 1zug s PRO 44 Ca 0.07 1.13 -0.26 0.00 0.02 0.00 0.00 61.00 61.95 1zug s PRO 44 Cb -0.16 -3.22 -0.17 0.00 0.02 0.00 0.00 34.50 30.98 1zug s PRO 44 CO -0.29 0.55 1.41 0.00 -0.33 0.00 0.00 177.00 178.34 1zug h ARG 45 N 4.22 -0.41 -1.20 5.54 -0.00 -2.01 -3.29 114.38 117.23 1zug h ARG 45 Ca -0.47 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 1zug h ARG 45 Cb 1.20 0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.27 1zug h ARG 45 CO 0.66 -0.14 0.00 1.97 0.00 0.00 0.00 179.97 182.46 1zug n PHE 46 N -5.18 0.00 -0.08 3.04 1.16 -1.26 -4.33 117.46 110.81 1zug n PHE 46 Ca -0.10 -0.18 -0.10 0.00 -1.87 0.00 0.00 57.45 55.20 1zug n PHE 46 Cb 0.24 -0.14 -0.03 0.00 -1.61 0.00 0.00 39.48 37.94 1zug n PHE 46 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1zug h LEU 47 N 1.19 0.37 -0.76 5.98 5.85 -1.99 -2.18 115.31 123.77 1zug h LEU 47 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1zug h LEU 47 Cb 0.43 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1zug h LEU 47 CO 0.00 0.45 0.50 0.15 -0.34 0.00 0.00 178.44 179.21 1zug h PHE 48 N 0.26 0.95 -0.21 1.25 3.57 -1.90 -1.23 116.94 119.64 1zug h PHE 48 Ca 0.08 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1zug h PHE 48 Cb 0.21 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1zug h PHE 48 CO -0.00 0.60 0.09 0.93 -2.23 0.00 0.00 178.31 177.69 1zug h GLU 49 N 1.03 0.19 -0.34 1.11 3.07 -1.79 -2.50 114.58 115.34 1zug h GLU 49 Ca 0.28 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1zug h GLU 49 Cb -0.11 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 1zug h GLU 49 CO -0.07 0.12 0.19 0.82 -1.40 0.00 0.00 179.01 178.68 1zug h ILE 50 N 0.19 1.14 0.01 3.13 2.04 -1.00 -1.77 117.51 121.25 1zug h ILE 50 Ca 0.09 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1zug h ILE 50 Cb 0.04 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1zug h ILE 50 CO -0.08 0.14 -0.37 0.00 0.00 0.00 0.00 178.15 177.85 1zug h ALA 51 N 1.05 -0.57 -0.16 1.87 0.00 -0.87 0.40 119.26 120.99 1zug h ALA 51 Ca 0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1zug h ALA 51 Cb 0.06 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1zug h ALA 51 CO -0.02 -0.89 -0.61 0.52 0.00 0.00 0.00 179.25 178.25 1zug h MET 52 N -0.53 0.55 -0.97 0.00 2.86 -1.43 0.19 114.93 115.61 1zug h MET 52 Ca 0.05 -0.38 0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1zug h MET 52 Cb 0.61 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.26 1zug h MET 52 CO -0.28 0.99 0.63 0.00 1.06 0.00 0.00 176.91 179.31 1zug h ALA 53 N 0.92 1.30 -0.68 6.32 0.00 -1.08 -2.13 119.26 123.92 1zug h ALA 53 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zug h ALA 53 Cb 1.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1zug h ALA 53 CO 0.11 0.47 0.00 -0.11 0.00 0.00 0.00 179.25 179.73 1zug n LEU 54 N -4.49 3.67 -3.70 0.00 7.94 0.14 -4.92 117.00 115.64 1zug n LEU 54 Ca 0.14 -1.83 -0.28 0.00 -1.11 0.00 0.00 56.01 52.93 1zug n LEU 54 Cb 0.13 -0.45 0.03 0.00 0.53 0.00 0.00 43.42 43.65 1zug n LEU 54 CO 0.33 0.91 0.10 0.59 -1.11 0.00 0.00 177.39 178.22 1zug n ASN 55 N 1.51 -5.08 -1.13 1.96 3.02 0.42 -4.92 115.26 111.03 1zug n ASN 55 Ca 0.23 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1zug n ASN 55 Cb 0.58 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 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 -0.88 4.90 0.12 0.00 -1.08 -1.26 -3.89 116.67 114.57 1zug s ASP 57 Ca 0.00 -0.01 -0.34 0.00 -0.52 0.00 0.00 52.55 51.68 1zug s ASP 57 Cb 0.00 -1.50 -0.13 0.00 -1.46 0.00 0.00 42.92 39.82 1zug s ASP 57 CO 0.00 0.29 1.55 -0.65 0.52 0.00 0.00 175.17 176.89 1zug h PRO 58 N 5.79 -0.59 -0.10 4.34 0.11 -1.92 -1.04 132.00 138.59 1zug h PRO 58 Ca -0.42 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.75 1zug h PRO 58 Cb 1.18 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1zug h PRO 58 CO 0.57 -0.39 0.12 0.28 -0.21 0.00 0.00 178.00 178.36 1zug h VAL 59 N -0.61 0.47 0.03 3.15 2.07 -1.97 -1.18 116.25 118.21 1zug h VAL 59 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1zug h VAL 59 Cb 0.70 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1zug h VAL 59 CO -0.41 0.00 -0.01 -0.25 0.02 0.00 0.00 177.57 176.91 1zug h TRP 60 N 0.00 -0.04 -0.02 1.57 7.01 -0.28 0.15 115.95 124.35 1zug h TRP 60 Ca 0.05 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.05 1zug h TRP 60 Cb 0.28 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.35 1zug h TRP 60 CO 0.00 0.45 0.02 1.37 -2.79 0.00 0.00 178.44 177.49 1zug h LEU 61 N -0.98 0.00 0.19 0.65 8.10 -0.61 0.15 115.31 122.81 1zug h LEU 61 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1zug h LEU 61 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 1zug h LEU 61 CO 0.01 0.00 -0.09 1.56 -4.11 0.00 0.00 178.44 175.80 1zug h GLN 62 N 0.00 -0.25 0.00 0.17 4.20 -1.31 -3.27 115.11 114.65 1zug h GLN 62 Ca 0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1zug h GLN 62 Cb 0.05 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1zug h GLN 62 CO -0.00 -0.16 0.00 0.66 -0.67 0.00 0.00 178.83 178.66 1zug n TYR 63 N -4.02 0.00 -0.43 2.96 4.01 0.54 -2.05 117.16 118.16 1zug n TYR 63 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1zug n TYR 63 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.37 0.77 3.08 2.72 0.00 0.49 -4.61 105.19 108.02 1zug n GLY 64 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.18 1.04 -0.13 2.61 -1.32 -1.22 -4.88 115.64 109.57 1zug s THR 65 Ca 0.00 -0.55 -0.05 0.00 -1.21 0.00 0.00 61.69 59.88 1zug s THR 65 Cb 0.00 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 1zug s THR 65 CO 0.00 0.30 0.07 -0.75 -2.21 0.00 0.00 174.62 172.02 1zug s LYS 66 N -0.19 3.44 -0.20 7.08 2.20 -1.26 -1.37 119.74 129.43 1zug s LYS 66 Ca 0.03 -0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 1zug s LYS 66 Cb -0.06 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1zug s LYS 66 CO -0.00 0.60 2.18 0.54 -0.36 0.00 0.00 175.35 178.31 1zug n ARG 67 N 2.51 1.94 -1.10 4.03 1.74 -1.26 -4.85 116.66 119.67 1zug n ARG 67 Ca -0.18 0.57 -0.32 0.00 -0.77 0.00 0.00 57.85 57.14 1zug n ARG 67 Cb 0.54 -3.07 -0.11 0.00 -1.02 0.00 0.00 32.46 28.79 1zug n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zug n GLY 68 N 5.69 0.46 0.33 -0.13 0.00 -1.26 -4.72 105.19 105.56 1zug n GLY 68 Ca 0.30 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 1zug n GLY 68 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1zug h LYS 69 N 10.32 1.04 -6.54 1.61 3.64 -2.06 -3.38 116.57 121.20 1zug h LYS 69 Ca 0.18 -0.16 -0.55 0.00 -1.27 0.00 0.00 60.65 58.85 1zug h LYS 69 Cb 0.82 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1zug h LYS 69 CO 1.60 0.82 0.96 0.00 -2.27 0.00 0.00 179.45 180.56 1zug s ALA 70 N -5.54 3.00 -2.00 5.00 0.00 -1.26 -5.35 121.76 115.60 1zug s ALA 70 Ca -0.11 -0.86 0.26 0.00 0.00 0.00 0.00 51.96 51.24 1zug s ALA 70 Cb 0.16 -4.03 1.53 0.00 0.00 0.00 0.00 23.12 20.78 1zug s ALA 70 CO 0.81 -2.67 1.88 0.00 0.00 0.00 0.00 175.76 175.79