#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 0.71 -4.32 0.03 3.00 -1.26 -2.44 117.38 113.11 1zug n GLN 2 Ca 0.00 -0.12 -0.17 0.00 -0.01 0.00 0.00 57.00 56.70 1zug n GLN 2 Cb 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 30.24 28.81 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 1.04 1.43 0.24 5.09 -4.23 -1.26 -4.41 115.64 113.54 1zug s THR 3 Ca 0.08 -2.12 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1zug s THR 3 Cb 0.04 -2.05 0.22 0.00 1.34 0.00 0.00 72.50 72.05 1zug s THR 3 CO 0.00 -0.59 1.70 -0.07 -0.54 0.00 0.00 174.62 175.12 1zug h LEU 4 N 2.60 0.12 0.06 4.79 4.07 -1.74 -0.83 115.31 124.38 1zug h LEU 4 Ca -0.38 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 1zug h LEU 4 Cb 1.21 0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1zug h LEU 4 CO 0.63 0.02 -0.03 0.77 -1.08 0.00 0.00 178.44 178.75 1zug h SER 5 N 0.33 -0.07 0.09 -0.43 4.64 -1.81 -3.06 113.55 113.24 1zug h SER 5 Ca 0.41 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1zug h SER 5 Cb 0.67 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1zug h SER 5 CO -0.46 0.63 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.75 1zug h GLU 6 N -0.88 -0.11 -0.54 4.77 3.07 -1.72 -0.07 114.58 119.10 1zug h GLU 6 Ca -0.01 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1zug h GLU 6 Cb 0.62 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1zug h GLU 6 CO 0.01 0.10 0.22 -0.09 -1.40 0.00 0.00 179.01 177.85 1zug h ARG 7 N -0.31 0.80 -0.11 2.33 9.65 -0.81 -2.29 114.38 123.64 1zug h ARG 7 Ca -0.01 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1zug h ARG 7 Cb 0.26 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1zug h ARG 7 CO 0.02 0.69 0.01 1.25 2.80 0.00 0.00 179.97 184.74 1zug h LEU 8 N 0.73 0.17 -0.28 3.80 5.85 -1.39 -3.13 115.31 121.06 1zug h LEU 8 Ca 0.18 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1zug h LEU 8 Cb 0.18 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1zug h LEU 8 CO -0.02 0.41 -0.11 0.11 -0.34 0.00 0.00 178.44 178.50 1zug h LYS 9 N -0.07 -0.05 -0.63 1.25 1.57 -0.67 -2.15 116.57 115.82 1zug h LYS 9 Ca 0.03 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1zug h LYS 9 Cb 0.32 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1zug h LYS 9 CO 0.00 -0.04 0.28 0.87 -0.57 0.00 0.00 179.45 180.00 1zug h LYS 10 N -0.06 0.48 -0.67 3.15 1.79 -1.44 -1.97 116.57 117.86 1zug h LYS 10 Ca 0.14 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.52 1zug h LYS 10 Cb 0.27 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1zug h LYS 10 CO -0.32 0.32 0.15 -0.09 -1.08 0.00 0.00 179.45 178.43 1zug h ARG 11 N 0.50 1.06 -0.95 3.15 9.65 -1.44 -0.40 114.38 125.95 1zug h ARG 11 Ca 0.31 -0.25 0.07 0.00 -1.10 0.00 0.00 59.98 59.01 1zug h ARG 11 Cb 0.33 -0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 28.70 1zug h ARG 11 CO -0.26 0.94 0.60 -0.09 2.80 0.00 0.00 179.97 183.96 1zug h ARG 12 N 1.01 1.05 -0.05 0.20 2.43 -0.82 -2.14 114.38 116.05 1zug h ARG 12 Ca 0.21 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1zug h ARG 12 Cb 0.37 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1zug h ARG 12 CO 0.00 0.69 -0.01 0.82 -1.51 0.00 0.00 179.97 179.97 1zug h ILE 13 N 1.08 1.28 -0.65 1.20 1.08 -0.90 -1.47 117.51 119.14 1zug h ILE 13 Ca 0.42 -0.88 0.14 0.00 -0.39 0.00 0.00 64.86 64.15 1zug h ILE 13 Cb 0.20 1.77 -0.10 0.00 -3.07 0.00 0.00 36.82 35.62 1zug h ILE 13 CO -0.18 0.24 0.06 0.00 -0.69 0.00 0.00 178.15 177.57 1zug h ALA 14 N 0.67 0.71 -0.11 1.87 0.00 -0.71 0.22 119.26 121.90 1zug h ALA 14 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1zug h ALA 14 Cb 0.39 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1zug h ALA 14 CO 0.00 -0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.16 1zug n LEU 15 N -5.23 0.81 -4.04 0.00 4.32 -0.84 -4.91 117.00 107.11 1zug n LEU 15 Ca 0.10 -0.37 -0.28 0.00 -0.02 0.00 0.00 56.01 55.45 1zug n LEU 15 Cb 0.38 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.07 1zug n LEU 15 CO 0.12 0.18 -0.23 0.29 -1.22 0.00 0.00 177.39 176.53 1zug n LYS 16 N -0.17 -3.00 -4.92 3.23 5.02 0.07 -4.98 118.16 113.41 1zug n LYS 16 Ca 0.11 0.36 -0.33 0.00 -2.02 0.00 0.00 58.31 56.43 1zug n LYS 16 Cb 0.16 -4.50 -0.13 0.00 -0.02 0.00 0.00 35.03 30.54 1zug n LYS 16 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1zug s MET 17 N -6.71 2.48 0.42 1.97 1.75 -0.57 -5.05 119.30 113.59 1zug s MET 17 Ca 0.11 -0.71 -0.09 0.00 -1.25 0.00 0.00 55.69 53.75 1zug s MET 17 Cb -0.06 -2.35 -0.06 0.00 2.84 0.00 0.00 34.83 35.20 1zug s MET 17 CO 0.91 0.62 0.77 0.95 -0.65 0.00 0.00 175.02 177.61 1zug s THR 18 N -0.71 4.81 0.28 10.11 -4.23 -1.26 -4.58 115.64 120.05 1zug s THR 18 Ca 0.11 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1zug s THR 18 Cb -0.11 -3.75 0.24 0.00 1.34 0.00 0.00 72.50 70.22 1zug s THR 18 CO 0.00 -0.57 1.93 -0.61 -0.54 0.00 0.00 174.62 174.83 1zug h GLN 19 N 1.09 1.10 -0.72 3.99 4.15 -1.98 -1.16 115.11 121.57 1zug h GLN 19 Ca -0.47 -0.10 0.06 0.00 0.77 0.00 0.00 58.65 58.91 1zug h GLN 19 Cb 1.19 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.59 1zug h GLN 19 CO 0.63 0.77 0.42 1.15 -1.93 0.00 0.00 178.83 179.87 1zug h THR 20 N 1.12 0.99 -0.27 2.39 2.02 -1.94 0.37 112.91 117.58 1zug h THR 20 Ca 0.29 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1zug h THR 20 Cb -0.05 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1zug h THR 20 CO -0.05 0.14 0.17 -0.33 0.37 0.00 0.00 175.52 175.81 1zug h GLU 21 N 0.76 0.37 -0.79 6.66 5.08 -1.80 -1.14 114.58 123.72 1zug h GLU 21 Ca 0.32 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1zug h GLU 21 Cb 0.18 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1zug h GLU 21 CO -0.18 0.27 0.43 1.25 -1.00 0.00 0.00 179.01 179.79 1zug h LEU 22 N 0.35 0.99 0.09 1.33 5.85 -0.69 0.29 115.31 123.52 1zug h LEU 22 Ca 0.10 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1zug h LEU 22 Cb -0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1zug h LEU 22 CO -0.02 0.80 -0.21 0.00 -0.34 0.00 0.00 178.44 178.68 1zug h ALA 23 N 1.23 -0.33 0.13 1.25 0.00 0.06 0.30 119.26 121.90 1zug h ALA 23 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1zug h ALA 23 Cb 0.04 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1zug h ALA 23 CO -0.04 -0.73 -0.28 1.15 0.00 0.00 0.00 179.25 179.35 1zug h THR 24 N -0.38 0.40 -0.14 0.00 2.02 -0.72 -0.11 112.91 113.99 1zug h THR 24 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1zug h THR 24 Cb 0.41 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1zug h THR 24 CO -0.13 0.00 -0.03 0.11 0.37 0.00 0.00 175.52 175.85 1zug h LYS 25 N -0.50 0.01 0.00 6.66 1.57 -0.76 -2.40 116.57 121.15 1zug h LYS 25 Ca 0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1zug h LYS 25 Cb 0.52 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1zug h LYS 25 CO -0.15 0.01 -0.02 0.00 -0.57 0.00 0.00 179.45 178.72 1zug h ALA 26 N 1.13 1.01 -2.19 3.86 0.00 -0.23 -3.46 119.26 119.39 1zug h ALA 26 Ca 0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1zug h ALA 26 Cb 0.10 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.92 1zug h ALA 26 CO -0.14 0.02 -0.20 0.41 0.00 0.00 0.00 179.25 179.35 1zug n GLY 27 N -0.15 0.43 1.48 0.00 0.00 -0.16 -4.69 105.19 102.09 1zug n GLY 27 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.40 0.00 -3.85 1.61 0.24 -0.56 -5.04 118.33 107.32 1zug n VAL 28 Ca -0.01 -1.08 -0.29 0.00 -2.04 0.00 0.00 64.34 60.92 1zug n VAL 28 Cb 0.53 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.30 1zug n VAL 28 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1zug s LYS 29 N -2.66 3.48 0.20 7.34 3.01 -1.26 -4.07 119.74 125.77 1zug s LYS 29 Ca 0.12 -0.40 -0.12 0.00 -1.01 0.00 0.00 55.97 54.57 1zug s LYS 29 Cb 0.01 -2.96 0.23 0.00 -1.01 0.00 0.00 37.83 34.10 1zug s LYS 29 CO 0.09 0.54 1.71 0.37 0.51 0.00 0.00 175.35 178.57 1zug h GLN 30 N 2.67 0.25 -0.91 1.68 4.15 -1.89 -1.24 115.11 119.82 1zug h GLN 30 Ca -0.46 -0.02 0.24 0.00 0.77 0.00 0.00 58.65 59.19 1zug h GLN 30 Cb 1.17 -0.06 -0.16 0.00 0.21 0.00 0.00 27.48 28.64 1zug h GLN 30 CO 0.73 0.17 0.09 0.37 -1.93 0.00 0.00 178.83 178.25 1zug h GLN 31 N 0.26 0.08 -0.44 1.69 -0.00 -1.95 -1.17 115.11 113.58 1zug h GLN 31 Ca 0.28 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.91 1zug h GLN 31 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 1zug h GLN 31 CO -0.35 0.05 0.25 0.77 0.00 0.00 0.00 178.83 179.55 1zug h SER 32 N 0.08 0.55 0.48 -0.69 0.02 -1.62 -2.77 113.55 109.61 1zug h SER 32 Ca 0.55 -0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 61.22 1zug h SER 32 Cb 1.12 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1zug h SER 32 CO -0.79 0.48 -0.87 0.40 -1.14 0.00 0.00 176.83 174.91 1zug h ILE 33 N 0.58 1.45 -0.97 3.27 2.04 -1.15 -3.01 117.51 119.73 1zug h ILE 33 Ca 0.16 -2.50 0.17 0.00 1.00 0.00 0.00 64.86 63.69 1zug h ILE 33 Cb 0.05 2.40 -0.09 0.00 -0.74 0.00 0.00 36.82 38.43 1zug h ILE 33 CO -0.03 0.73 0.61 1.56 0.00 0.00 0.00 178.15 181.03 1zug h GLN 34 N 0.16 0.73 0.00 2.37 1.08 -0.97 -0.91 115.11 117.56 1zug h GLN 34 Ca -0.05 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1zug h GLN 34 Cb 1.48 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1zug h GLN 34 CO 0.14 0.48 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.40 1zug h LEU 35 N 0.75 0.00 0.08 1.46 3.38 -1.37 0.29 115.31 119.90 1zug h LEU 35 Ca 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.48 1zug h LEU 35 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1zug h LEU 35 CO -0.29 0.03 -0.04 0.40 0.09 0.00 0.00 178.44 178.64 1zug h ILE 36 N 0.00 0.21 -0.86 1.22 2.04 -1.33 0.24 117.51 119.02 1zug h ILE 36 Ca -0.00 -1.06 0.23 0.00 1.00 0.00 0.00 64.86 65.03 1zug h ILE 36 Cb 0.07 0.38 -0.14 0.00 -0.74 0.00 0.00 36.82 36.39 1zug h ILE 36 CO 0.00 0.07 0.19 -0.08 0.00 0.00 0.00 178.15 178.33 1zug h GLU 37 N -1.02 0.18 0.00 2.37 4.22 -0.76 0.20 114.58 119.76 1zug h GLU 37 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1zug h GLU 37 Cb 0.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1zug h GLU 37 CO 0.02 0.12 0.00 0.00 -2.18 0.00 0.00 179.01 176.96 1zug n ALA 38 N -2.76 1.82 -2.52 2.92 0.00 0.98 -4.74 120.51 116.20 1zug n ALA 38 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 1zug n ALA 38 Cb 0.66 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 0.35 0.78 0.78 0.00 0.00 0.69 -5.02 105.19 102.77 1zug n GLY 39 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.51 1.02 -2.32 1.61 0.31 -0.73 -4.81 118.33 110.90 1zug n VAL 40 Ca -0.00 0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 64.22 1zug n VAL 40 Cb 0.51 -1.65 -0.02 0.00 -0.91 0.00 0.00 33.84 31.77 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 -3.48 3.36 0.26 2.52 -1.04 -0.01 -4.79 114.28 111.10 1zug n THR 41 Ca -0.03 -3.43 0.06 0.00 -2.04 0.00 0.00 64.05 58.62 1zug n THR 41 Cb 0.11 -2.34 0.29 0.00 -1.82 0.00 0.00 70.33 66.58 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 8.07 0.06 -3.58 -2.82 5.02 -1.26 -4.18 118.16 119.47 1zug n LYS 42 Ca 0.48 0.43 -0.29 0.00 -2.02 0.00 0.00 58.31 56.92 1zug n LYS 42 Cb 0.45 -1.65 -0.15 0.00 -0.02 0.00 0.00 35.03 33.66 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 -3.16 0.24 -0.19 1.97 1.81 -1.26 -5.03 118.95 113.34 1zug s ARG 43 Ca 0.03 -0.51 -0.05 0.00 -1.72 0.00 0.00 55.73 53.47 1zug s ARG 43 Cb 0.06 -1.39 -0.03 0.00 -0.45 0.00 0.00 34.95 33.14 1zug s ARG 43 CO 0.19 -0.95 0.00 -1.25 -0.68 0.00 0.00 175.30 172.61 1zug s PRO 44 N 2.05 3.69 0.30 3.54 0.04 -1.26 -5.01 135.00 138.35 1zug s PRO 44 Ca 0.08 -0.49 0.05 0.00 0.04 0.00 0.00 61.00 60.67 1zug s PRO 44 Cb -0.16 -3.07 0.77 0.00 0.04 0.00 0.00 34.50 32.08 1zug s PRO 44 CO -0.30 0.11 1.68 0.00 0.04 0.00 0.00 177.00 178.53 1zug h ARG 45 N 7.17 0.34 -0.22 4.56 -0.00 -2.00 -2.51 114.38 121.72 1zug h ARG 45 Ca -0.35 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.11 1zug h ARG 45 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.07 1zug h ARG 45 CO 0.63 0.23 0.00 1.97 0.00 0.00 0.00 179.97 182.79 1zug n PHE 46 N -5.08 0.00 0.00 3.04 1.16 -1.26 -4.00 117.46 111.32 1zug n PHE 46 Ca 0.23 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.84 1zug n PHE 46 Cb 0.70 -0.02 0.40 0.00 -1.61 0.00 0.00 39.48 38.95 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 0.10 0.47 0.50 5.98 -0.00 -1.87 -2.24 115.31 118.25 1zug h LEU 47 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1zug h LEU 47 Cb 0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1zug h LEU 47 CO 0.00 0.38 -0.24 0.15 -0.00 0.00 0.00 178.44 178.73 1zug h PHE 48 N 0.54 -0.62 -0.06 0.17 3.04 -1.86 -1.12 116.94 117.03 1zug h PHE 48 Ca 0.14 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.11 1zug h PHE 48 Cb 0.01 0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 1zug h PHE 48 CO 0.00 -0.35 -0.18 0.93 -2.02 0.00 0.00 178.31 176.69 1zug h GLU 49 N -0.74 -0.24 -0.18 1.11 3.07 -1.79 -1.93 114.58 113.88 1zug h GLU 49 Ca -0.07 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1zug h GLU 49 Cb 0.55 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1zug h GLU 49 CO 0.11 -0.16 0.11 0.82 -1.40 0.00 0.00 179.01 178.49 1zug h ILE 50 N -0.25 1.04 0.21 3.13 2.04 -1.34 -0.76 117.51 121.57 1zug h ILE 50 Ca 0.08 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1zug h ILE 50 Cb 0.36 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1zug h ILE 50 CO -0.21 0.04 -0.16 0.00 0.00 0.00 0.00 178.15 177.82 1zug h ALA 51 N 1.07 -0.36 -0.73 1.87 0.00 -0.89 -0.73 119.26 119.49 1zug h ALA 51 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1zug h ALA 51 Cb -0.02 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1zug h ALA 51 CO -0.02 -0.72 0.28 0.52 0.00 0.00 0.00 179.25 179.31 1zug h MET 52 N -0.38 1.09 0.00 0.00 2.86 -1.21 0.26 114.93 117.55 1zug h MET 52 Ca -0.01 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1zug h MET 52 Cb 0.34 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1zug h MET 52 CO -0.01 0.89 -0.06 0.00 1.06 0.00 0.00 176.91 178.79 1zug h ALA 53 N 1.24 1.64 -0.36 6.32 0.00 -0.72 -1.80 119.26 125.59 1zug h ALA 53 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1zug h ALA 53 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1zug h ALA 53 CO -0.02 0.08 0.00 -0.11 0.00 0.00 0.00 179.25 179.20 1zug n LEU 54 N -4.09 3.97 -4.19 0.00 7.94 -0.32 -4.89 117.00 115.43 1zug n LEU 54 Ca -0.03 -2.72 -0.33 0.00 -1.11 0.00 0.00 56.01 51.83 1zug n LEU 54 Cb 0.15 -0.49 -0.04 0.00 0.53 0.00 0.00 43.42 43.56 1zug n LEU 54 CO 0.31 0.70 -0.17 0.59 -1.11 0.00 0.00 177.39 177.71 1zug n ASN 55 N 0.03 -1.58 -3.17 1.96 3.02 -0.34 -4.96 115.26 110.22 1zug n ASN 55 Ca 0.20 -1.07 -0.19 0.00 -0.03 0.00 0.00 54.58 53.49 1zug n ASN 55 Cb 0.82 -2.56 -0.07 0.00 -0.61 0.00 0.00 39.78 37.36 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 -3.20 6.63 0.15 0.00 2.15 -1.26 -3.49 116.67 117.64 1zug s ASP 57 Ca 0.35 0.74 -0.17 0.00 0.43 0.00 0.00 52.55 53.91 1zug s ASP 57 Cb 0.02 -2.22 0.06 0.00 -0.30 0.00 0.00 42.92 40.48 1zug s ASP 57 CO 0.25 0.20 1.73 -0.65 -0.17 0.00 0.00 175.17 176.53 1zug h PRO 58 N 5.71 0.18 -0.45 4.34 0.11 -1.90 -1.71 132.00 138.29 1zug h PRO 58 Ca -0.47 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1zug h PRO 58 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1zug h PRO 58 CO 0.68 0.12 0.20 0.28 -0.21 0.00 0.00 178.00 179.07 1zug h VAL 59 N 0.18 0.93 0.00 3.15 2.07 -1.92 -2.25 116.25 118.42 1zug h VAL 59 Ca 0.16 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1zug h VAL 59 Cb 0.18 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1zug h VAL 59 CO -0.21 0.07 -0.00 -0.25 0.02 0.00 0.00 177.57 177.20 1zug h TRP 60 N 0.41 -0.00 0.00 1.57 7.01 -1.08 0.44 115.95 124.30 1zug h TRP 60 Ca 0.20 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 1zug h TRP 60 Cb 0.14 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1zug h TRP 60 CO -0.12 -0.00 -0.16 1.37 -2.79 0.00 0.00 178.44 176.74 1zug h LEU 61 N -0.01 0.00 0.12 0.65 8.10 -1.02 0.91 115.31 124.07 1zug h LEU 61 Ca -0.00 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.68 1zug h LEU 61 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.22 1zug h LEU 61 CO 0.00 0.16 -1.63 -0.61 -4.11 0.00 0.00 178.44 172.26 1zug h GLN 62 N 0.00 0.26 0.00 0.17 5.75 -0.95 -3.27 115.11 117.07 1zug h GLN 62 Ca -0.00 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1zug h GLN 62 Cb 0.34 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1zug h GLN 62 CO 0.02 1.21 -0.19 0.66 -2.65 0.00 0.00 178.83 177.88 1zug n TYR 63 N -3.78 0.00 -0.21 3.99 4.01 0.15 -4.25 117.16 117.07 1zug n TYR 63 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1zug n TYR 63 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 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 1.18 0.61 3.22 2.72 0.00 0.31 -4.70 105.19 108.54 1zug n GLY 64 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 1.70 -0.43 2.61 -1.32 -1.25 -4.84 115.64 109.68 1zug s THR 65 Ca 0.00 -0.90 0.04 0.00 -1.21 0.00 0.00 61.69 59.61 1zug s THR 65 Cb 0.00 -1.42 0.63 0.00 -1.51 0.00 0.00 72.50 70.20 1zug s THR 65 CO 0.00 0.48 1.87 1.17 -2.21 0.00 0.00 174.62 175.93 1zug n LYS 66 N 2.71 2.19 -1.75 7.08 4.81 -1.26 -2.32 118.16 129.61 1zug n LYS 66 Ca -0.16 -2.85 -0.42 0.00 -0.87 0.00 0.00 58.31 54.01 1zug n LYS 66 Cb 0.53 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.43 1zug n LYS 66 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1zug s ARG 67 N -3.13 4.15 0.00 1.64 6.06 -1.26 -2.00 118.95 124.42 1zug s ARG 67 Ca 0.54 2.52 0.00 0.00 -2.50 0.00 0.00 55.73 56.29 1zug s ARG 67 Cb 0.45 -3.96 0.00 0.00 0.06 0.00 0.00 34.95 31.50 1zug s ARG 67 CO 0.10 -0.90 0.00 0.41 -2.50 0.00 0.00 175.30 172.42 1zug n GLY 68 N 4.37 2.03 2.96 8.12 0.00 -1.22 -4.77 105.19 116.68 1zug n GLY 68 Ca 0.19 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1zug n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zug s LYS 69 N 0.00 1.44 -0.28 1.61 -0.14 -1.15 -0.82 119.74 120.40 1zug s LYS 69 Ca 0.00 -1.88 -0.01 0.00 -1.36 0.00 0.00 55.97 52.72 1zug s LYS 69 Cb 0.00 -3.04 0.04 0.00 -1.68 0.00 0.00 37.83 33.15 1zug s LYS 69 CO 0.00 -0.97 -0.03 0.00 -0.76 0.00 0.00 175.35 173.59 1zug s ALA 70 N 0.82 2.75 0.00 5.17 0.00 -0.85 -4.70 121.76 124.96 1zug s ALA 70 Ca 0.12 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1zug s ALA 70 Cb -0.20 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1zug s ALA 70 CO -0.09 -1.11 0.00 0.00 0.00 0.00 0.00 175.76 174.56