#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 3.24 0.00 2.12 -0.06 -1.26 -4.77 117.38 116.65 1zug n GLN 2 Ca 0.00 -3.38 0.00 0.00 -2.00 0.00 0.00 57.00 51.62 1zug n GLN 2 Cb 0.00 -3.29 0.00 0.00 -4.06 0.00 0.00 30.24 22.89 1zug n GLN 2 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1zug n THR 3 N 5.47 0.00 -0.31 1.69 -2.24 -1.26 -2.89 114.28 114.75 1zug n THR 3 Ca 0.45 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.37 1zug n THR 3 Cb 0.43 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.96 1zug n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zug h LEU 4 N 0.00 -0.14 0.00 3.22 4.07 -1.21 -1.21 115.31 120.04 1zug h LEU 4 Ca 0.00 0.22 -0.23 0.00 0.08 0.00 0.00 57.88 57.95 1zug h LEU 4 Cb 0.00 0.33 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 1zug h LEU 4 CO 0.00 -0.23 -1.72 -1.54 -1.08 0.00 0.00 178.44 173.87 1zug n SER 5 N -5.31 1.07 0.30 -0.43 3.41 -1.14 -4.49 113.62 107.02 1zug n SER 5 Ca 0.22 0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1zug n SER 5 Cb 0.72 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1zug n SER 5 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1zug h GLU 6 N -0.52 -0.73 -0.14 4.33 4.39 -1.40 0.72 114.58 121.22 1zug h GLU 6 Ca -0.34 0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 1zug h GLU 6 Cb 1.26 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1zug h GLU 6 CO -0.21 -0.48 -0.36 -0.09 -1.16 0.00 0.00 179.01 176.71 1zug h ARG 7 N -0.79 0.29 -0.19 2.33 2.43 -1.46 -1.61 114.38 115.39 1zug h ARG 7 Ca -0.08 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1zug h ARG 7 Cb 0.58 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1zug h ARG 7 CO 0.13 0.61 -0.05 1.25 -1.51 0.00 0.00 179.97 180.40 1zug h LEU 8 N 0.25 0.37 -0.28 3.80 5.85 -1.32 -1.04 115.31 122.94 1zug h LEU 8 Ca 0.03 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1zug h LEU 8 Cb 0.75 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1zug h LEU 8 CO 0.06 0.66 0.03 0.50 -0.34 0.00 0.00 178.44 179.35 1zug h LYS 9 N 0.07 0.12 -0.66 1.25 3.64 -0.64 -2.79 116.57 117.56 1zug h LYS 9 Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1zug h LYS 9 Cb 0.51 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1zug h LYS 9 CO 0.02 0.08 0.31 0.87 -2.27 0.00 0.00 179.45 178.46 1zug h LYS 10 N 0.12 0.94 -0.62 1.90 1.57 -1.11 -2.51 116.57 116.86 1zug h LYS 10 Ca 0.13 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1zug h LYS 10 Cb 0.16 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1zug h LYS 10 CO -0.20 0.73 0.32 -0.09 -0.57 0.00 0.00 179.45 179.64 1zug h ARG 11 N 0.93 0.88 -0.78 3.15 9.65 -0.97 -1.44 114.38 125.80 1zug h ARG 11 Ca 0.23 -0.11 0.07 0.00 -1.10 0.00 0.00 59.98 59.06 1zug h ARG 11 Cb 0.10 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 1zug h ARG 11 CO -0.03 0.68 0.51 -0.09 2.80 0.00 0.00 179.97 183.84 1zug h ARG 12 N 0.85 0.79 -0.24 0.20 2.43 -1.20 -1.38 114.38 115.83 1zug h ARG 12 Ca 0.22 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 1zug h ARG 12 Cb 0.08 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1zug h ARG 12 CO -0.03 0.52 -0.42 0.82 -1.51 0.00 0.00 179.97 179.35 1zug h ILE 13 N 0.82 1.31 -0.73 1.20 2.04 -1.16 0.01 117.51 121.00 1zug h ILE 13 Ca 0.34 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 1zug h ILE 13 Cb 0.27 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1zug h ILE 13 CO -0.12 0.51 0.34 0.00 0.00 0.00 0.00 178.15 178.89 1zug h ALA 14 N 0.64 1.23 0.00 1.87 0.00 -0.42 -1.19 119.26 121.38 1zug h ALA 14 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1zug h ALA 14 Cb 1.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1zug h ALA 14 CO 0.09 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.21 1zug n LEU 15 N -4.32 0.00 -4.11 0.00 4.77 -0.60 -4.91 117.00 107.82 1zug n LEU 15 Ca 0.07 0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.94 1zug n LEU 15 Cb 0.14 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1zug n LEU 15 CO 0.39 -0.03 -0.32 1.17 -1.33 0.00 0.00 177.39 177.27 1zug n LYS 16 N -1.17 -2.34 -4.18 3.23 3.00 -0.45 -4.98 118.16 111.27 1zug n LYS 16 Ca 0.15 0.28 -0.30 0.00 -0.00 0.00 0.00 58.31 58.44 1zug n LYS 16 Cb 0.15 -4.19 -0.09 0.00 0.00 0.00 0.00 35.03 30.91 1zug n LYS 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1zug s MET 17 N -6.90 2.32 0.04 1.64 1.75 -0.04 -5.03 119.30 113.09 1zug s MET 17 Ca 0.04 -0.94 0.02 0.00 -1.25 0.00 0.00 55.69 53.56 1zug s MET 17 Cb -0.02 -2.41 -0.04 0.00 2.84 0.00 0.00 34.83 35.20 1zug s MET 17 CO 0.94 0.52 0.05 0.95 -0.65 0.00 0.00 175.02 176.83 1zug s THR 18 N -1.27 4.42 0.36 10.11 -4.23 -1.26 -4.51 115.64 119.27 1zug s THR 18 Ca 0.23 -0.68 0.14 0.00 -1.18 0.00 0.00 61.69 60.21 1zug s THR 18 Cb -0.11 -3.07 0.35 0.00 1.34 0.00 0.00 72.50 71.01 1zug s THR 18 CO 0.16 0.23 1.77 1.56 -0.54 0.00 0.00 174.62 177.80 1zug h GLN 19 N 3.73 0.49 -0.38 3.99 4.20 -1.97 0.15 115.11 125.33 1zug h GLN 19 Ca -0.48 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.23 1zug h GLN 19 Cb 1.17 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.81 1zug h GLN 19 CO 0.62 0.33 0.19 1.79 -0.67 0.00 0.00 178.83 181.09 1zug h THR 20 N 0.51 0.99 -0.61 -0.54 1.35 -1.95 0.36 112.91 113.02 1zug h THR 20 Ca 0.60 -0.14 -0.10 0.00 -0.55 0.00 0.00 66.41 66.23 1zug h THR 20 Cb 1.31 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1zug h THR 20 CO -0.35 0.07 0.00 -0.33 -0.25 0.00 0.00 175.52 174.66 1zug h GLU 21 N 0.39 1.07 -0.27 4.72 4.39 -1.62 -1.65 114.58 121.61 1zug h GLU 21 Ca 0.16 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 1zug h GLU 21 Cb 0.06 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1zug h GLU 21 CO -0.11 1.04 0.04 1.25 -1.16 0.00 0.00 179.01 180.07 1zug h LEU 22 N 0.98 0.43 -0.24 1.33 5.85 -0.60 -0.07 115.31 122.98 1zug h LEU 22 Ca 0.17 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1zug h LEU 22 Cb 0.56 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 1zug h LEU 22 CO 0.03 0.58 -0.26 0.00 -0.34 0.00 0.00 178.44 178.45 1zug h ALA 23 N 0.86 -0.17 0.20 1.25 0.00 -0.20 0.24 119.26 121.44 1zug h ALA 23 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1zug h ALA 23 Cb 0.34 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1zug h ALA 23 CO 0.01 -0.69 -0.53 1.15 0.00 0.00 0.00 179.25 179.19 1zug h THR 24 N -0.27 0.01 -0.79 0.00 2.02 -1.10 0.34 112.91 113.11 1zug h THR 24 Ca 0.13 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 1zug h THR 24 Cb 0.48 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1zug h THR 24 CO -0.39 0.00 0.34 0.50 0.37 0.00 0.00 175.52 176.34 1zug h LYS 25 N -0.81 1.16 0.00 6.66 3.64 -0.80 -1.86 116.57 124.58 1zug h LYS 25 Ca -0.02 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1zug h LYS 25 Cb 0.79 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1zug h LYS 25 CO -0.25 0.92 0.00 0.00 -2.27 0.00 0.00 179.45 177.86 1zug n ALA 26 N -2.43 2.32 -3.29 5.00 0.00 0.83 -4.77 120.51 118.16 1zug n ALA 26 Ca 0.07 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1zug n ALA 26 Cb 0.17 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 1.05 -0.39 0.00 0.00 0.00 -0.58 -4.64 105.19 100.63 1zug n GLY 27 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.62 0.00 -4.40 1.61 0.24 0.01 -5.04 118.33 106.12 1zug n VAL 28 Ca -0.03 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 1zug n VAL 28 Cb 0.57 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.22 1.78 -0.03 7.34 -0.14 -1.26 -4.13 119.74 123.08 1zug s LYS 29 Ca 0.00 -1.56 -0.25 0.00 -1.36 0.00 0.00 55.97 52.80 1zug s LYS 29 Cb 0.00 -1.92 -0.19 0.00 -1.68 0.00 0.00 37.83 34.04 1zug s LYS 29 CO 0.00 0.37 1.18 0.37 -0.76 0.00 0.00 175.35 176.52 1zug h GLN 30 N 2.62 -0.07 -0.46 1.68 -0.00 -1.92 -2.72 115.11 114.24 1zug h GLN 30 Ca -0.44 0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.27 1zug h GLN 30 Cb 1.23 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.70 1zug h GLN 30 CO 0.55 0.41 0.31 -0.56 0.00 0.00 0.00 178.83 179.54 1zug h GLN 31 N -0.60 0.41 -0.03 1.69 -0.00 -1.98 -1.82 115.11 112.78 1zug h GLN 31 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1zug h GLN 31 Cb 0.52 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1zug h GLN 31 CO 0.01 0.27 0.02 0.77 -0.00 0.00 0.00 178.83 179.90 1zug h SER 32 N 0.42 0.04 -0.03 0.06 0.02 -1.94 -1.79 113.55 110.34 1zug h SER 32 Ca 0.20 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1zug h SER 32 Cb 0.24 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1zug h SER 32 CO -0.05 0.03 -0.17 0.40 -1.14 0.00 0.00 176.83 175.90 1zug h ILE 33 N 0.04 1.23 -0.96 3.27 2.04 -1.12 -2.69 117.51 119.31 1zug h ILE 33 Ca 0.01 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1zug h ILE 33 Cb 0.00 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 1zug h ILE 33 CO -0.00 0.32 0.62 1.56 0.00 0.00 0.00 178.15 180.65 1zug h GLN 34 N 0.34 1.10 -0.88 2.37 4.20 -0.53 -1.58 115.11 120.14 1zug h GLN 34 Ca 0.06 -0.07 0.18 0.00 0.06 0.00 0.00 58.65 58.89 1zug h GLN 34 Cb 0.51 -0.25 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1zug h GLN 34 CO 0.03 0.73 0.58 -0.07 -0.67 0.00 0.00 178.83 179.42 1zug h LEU 35 N 1.13 0.47 0.05 1.46 -0.00 -1.05 0.66 115.31 118.03 1zug h LEU 35 Ca 0.41 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 58.33 1zug h LEU 35 Cb 0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1zug h LEU 35 CO -0.17 0.21 -0.03 0.40 -0.00 0.00 0.00 178.44 178.86 1zug h ILE 36 N 0.48 1.27 -0.49 1.22 2.04 -1.51 -2.12 117.51 118.40 1zug h ILE 36 Ca 0.45 -1.52 0.10 0.00 1.00 0.00 0.00 64.86 64.90 1zug h ILE 36 Cb 1.01 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 39.27 1zug h ILE 36 CO -0.18 0.36 0.34 -0.33 0.00 0.00 0.00 178.15 178.33 1zug h GLU 37 N -0.80 0.20 0.00 2.37 3.07 -0.68 -0.19 114.58 118.55 1zug h GLU 37 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1zug h GLU 37 Cb 0.64 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1zug h GLU 37 CO 0.01 0.13 0.00 0.00 -1.40 0.00 0.00 179.01 177.76 1zug n ALA 38 N -2.57 2.25 -1.56 3.43 0.00 0.22 -4.74 120.51 117.55 1zug n ALA 38 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1zug n ALA 38 Cb 0.42 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 1.30 0.41 0.02 0.00 0.00 -0.08 -4.99 105.19 101.85 1zug n GLY 39 Ca 0.06 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.48 0.34 -1.92 1.61 0.31 -0.87 -4.80 118.33 109.52 1zug n VAL 40 Ca -0.02 0.43 -0.26 0.00 -0.01 0.00 0.00 64.34 64.47 1zug n VAL 40 Cb 0.30 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.47 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 -1.33 3.32 0.44 2.52 2.01 -0.85 -4.85 115.64 116.89 1zug s THR 41 Ca -0.04 -0.19 0.20 0.00 0.31 0.00 0.00 61.69 61.97 1zug s THR 41 Cb 0.01 -3.75 0.23 0.00 0.01 0.00 0.00 72.50 69.00 1zug s THR 41 CO 0.06 -0.71 2.03 0.07 -0.69 0.00 0.00 174.62 175.39 1zug h LYS 42 N 12.58 0.00 -1.71 4.92 2.10 -1.88 -3.41 116.57 129.16 1zug h LYS 42 Ca 0.01 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1zug h LYS 42 Cb 1.04 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 32.09 1zug h LYS 42 CO 1.17 0.15 -0.46 0.50 -2.00 0.00 0.00 179.45 178.81 1zug s ARG 43 N -4.44 0.40 0.09 0.07 3.52 -1.26 -4.95 118.95 112.38 1zug s ARG 43 Ca -0.03 0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 55.91 1zug s ARG 43 Cb 0.15 -0.29 -0.07 0.00 -1.56 0.00 0.00 34.95 33.18 1zug s ARG 43 CO 0.64 -0.73 0.55 -1.25 -0.81 0.00 0.00 175.30 173.70 1zug s PRO 44 N 2.59 4.09 0.12 5.12 0.04 -1.26 -5.01 135.00 140.69 1zug s PRO 44 Ca 0.13 0.62 -0.19 0.00 0.04 0.00 0.00 61.00 61.60 1zug s PRO 44 Cb -0.15 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1zug s PRO 44 CO -0.20 0.59 1.71 0.00 0.04 0.00 0.00 177.00 179.14 1zug h ARG 45 N 4.20 0.36 -0.38 4.56 2.47 -2.01 -2.82 114.38 120.76 1zug h ARG 45 Ca -0.49 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1zug h ARG 45 Cb 1.21 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1zug h ARG 45 CO 0.64 0.33 0.00 1.97 0.56 0.00 0.00 179.97 183.47 1zug n PHE 46 N -4.84 0.00 0.10 3.04 1.16 -1.26 -4.29 117.46 111.37 1zug n PHE 46 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.42 1zug n PHE 46 Cb 0.08 -0.04 -0.07 0.00 -1.61 0.00 0.00 39.48 37.83 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 0.41 -0.15 -0.54 5.98 5.85 -1.92 -2.46 115.31 122.48 1zug h LEU 47 Ca 0.00 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1zug h LEU 47 Cb 0.19 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 1zug h LEU 47 CO 0.00 -0.08 -0.16 0.15 -0.34 0.00 0.00 178.44 178.00 1zug h PHE 48 N -0.19 -0.37 0.17 1.25 3.57 -1.86 0.26 116.94 119.77 1zug h PHE 48 Ca -0.02 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1zug h PHE 48 Cb 0.15 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1zug h PHE 48 CO -0.06 -0.26 -0.26 0.93 -2.23 0.00 0.00 178.31 176.43 1zug h GLU 49 N -0.03 -0.48 -0.17 1.11 4.39 -1.80 -0.92 114.58 116.67 1zug h GLU 49 Ca 0.26 0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.00 1zug h GLU 49 Cb 0.42 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1zug h GLU 49 CO -0.57 -0.32 0.07 0.82 -1.16 0.00 0.00 179.01 177.85 1zug h ILE 50 N -0.50 0.98 0.07 3.13 2.04 -0.93 -1.06 117.51 121.24 1zug h ILE 50 Ca 0.02 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1zug h ILE 50 Cb 0.50 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1zug h ILE 50 CO -0.11 0.03 -0.30 0.00 0.00 0.00 0.00 178.15 177.76 1zug h ALA 51 N 1.10 -0.48 -0.30 1.87 0.00 -0.74 1.00 119.26 121.70 1zug h ALA 51 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1zug h ALA 51 Cb 0.03 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1zug h ALA 51 CO -0.06 -0.83 -0.20 0.52 0.00 0.00 0.00 179.25 178.68 1zug h MET 52 N -0.49 0.55 -0.29 0.00 2.86 -0.93 0.60 114.93 117.23 1zug h MET 52 Ca 0.04 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1zug h MET 52 Cb 0.55 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1zug h MET 52 CO -0.21 0.72 0.02 0.00 1.06 0.00 0.00 176.91 178.50 1zug h ALA 53 N 1.29 1.50 -0.45 6.32 0.00 -0.82 -3.07 119.26 124.04 1zug h ALA 53 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1zug h ALA 53 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1zug h ALA 53 CO 0.04 0.36 0.00 -0.11 0.00 0.00 0.00 179.25 179.55 1zug n LEU 54 N -4.33 4.36 -2.59 0.00 7.94 0.31 -4.92 117.00 117.77 1zug n LEU 54 Ca 0.01 -2.68 -0.17 0.00 -1.11 0.00 0.00 56.01 52.06 1zug n LEU 54 Cb 0.20 -0.53 -0.00 0.00 0.53 0.00 0.00 43.42 43.62 1zug n LEU 54 CO 0.38 0.71 -0.16 0.59 -1.11 0.00 0.00 177.39 177.80 1zug n ASN 55 N 0.33 -4.65 -4.29 1.96 5.03 -0.17 -4.93 115.26 108.54 1zug n ASN 55 Ca 0.22 0.03 -0.21 0.00 0.87 0.00 0.00 54.58 55.50 1zug n ASN 55 Cb 0.88 -3.89 -0.11 0.00 -1.02 0.00 0.00 39.78 35.63 1zug n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1zug s ASP 57 N -2.44 6.58 0.11 0.00 -1.08 0.86 -3.91 116.67 116.79 1zug s ASP 57 Ca 0.11 2.50 -0.23 0.00 -0.52 0.00 0.00 52.55 54.41 1zug s ASP 57 Cb -0.06 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.76 1zug s ASP 57 CO 0.05 -0.91 1.70 -0.65 0.52 0.00 0.00 175.17 175.87 1zug h PRO 58 N 8.62 -0.12 -0.58 4.34 0.11 -1.91 -2.19 132.00 140.27 1zug h PRO 58 Ca -0.43 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1zug h PRO 58 Cb 1.20 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1zug h PRO 58 CO 0.93 -0.08 0.20 0.28 -0.21 0.00 0.00 178.00 179.13 1zug h VAL 59 N -0.13 0.77 0.81 3.15 2.07 -1.94 -2.83 116.25 118.15 1zug h VAL 59 Ca 0.05 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1zug h VAL 59 Cb 0.20 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1zug h VAL 59 CO -0.12 0.07 -0.39 -0.25 0.02 0.00 0.00 177.57 176.90 1zug h TRP 60 N 0.38 -1.00 -0.41 1.57 7.01 -1.54 0.37 115.95 122.33 1zug h TRP 60 Ca 0.29 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.39 1zug h TRP 60 Cb 0.36 0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1zug h TRP 60 CO -0.18 -0.62 0.32 1.37 -2.79 0.00 0.00 178.44 176.54 1zug h LEU 61 N -1.20 0.00 0.00 0.65 8.10 -1.47 -0.94 115.31 120.46 1zug h LEU 61 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1zug h LEU 61 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.05 1zug h LEU 61 CO 0.18 0.00 -0.05 1.67 -4.11 0.00 0.00 178.44 176.13 1zug n GLN 62 N -4.23 0.04 0.09 0.17 -0.06 -1.07 -1.30 117.38 111.01 1zug n GLN 62 Ca 0.07 0.25 -0.06 0.00 -2.00 0.00 0.00 57.00 55.26 1zug n GLN 62 Cb 0.51 -0.81 0.07 0.00 -4.06 0.00 0.00 30.24 25.94 1zug n GLN 62 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1zug h TYR 63 N -0.09 0.29 0.00 3.69 0.05 -0.24 -3.22 116.97 117.45 1zug h TYR 63 Ca 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1zug h TYR 63 Cb 0.05 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1zug h TYR 63 CO -0.02 0.86 0.00 0.41 -1.05 0.00 0.00 178.16 178.36 1zug n GLY 64 N 0.53 1.98 3.83 3.88 0.00 -0.36 -5.03 105.19 110.02 1zug n GLY 64 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.93 3.54 -1.61 2.61 -1.32 -1.26 -3.68 115.64 111.99 1zug s THR 65 Ca 0.00 0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 60.94 1zug s THR 65 Cb 0.00 -3.31 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1zug s THR 65 CO 0.00 -0.65 0.50 0.29 -2.21 0.00 0.00 174.62 172.55 1zug n LYS 66 N -3.21 -4.33 -1.70 7.08 5.02 -1.26 -4.03 118.16 115.73 1zug n LYS 66 Ca 0.07 0.93 -0.66 0.00 -2.02 0.00 0.00 58.31 56.63 1zug n LYS 66 Cb 0.56 -5.77 -0.10 0.00 -0.02 0.00 0.00 35.03 29.70 1zug n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1zug n ARG 67 N -3.86 0.00 0.00 1.97 1.74 -1.24 0.12 116.66 115.39 1zug n ARG 67 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1zug n ARG 67 Cb 0.63 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 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 4.02 2.93 3.55 -0.13 0.00 -1.26 -5.01 105.19 109.29 1zug n GLY 68 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1zug n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zug s LYS 69 N -0.15 3.01 0.10 1.61 2.47 0.12 -4.89 119.74 122.00 1zug s LYS 69 Ca 0.00 0.00 -0.33 0.00 -1.56 0.00 0.00 55.97 54.08 1zug s LYS 69 Cb 0.00 -4.31 -0.14 0.00 -1.46 0.00 0.00 37.83 31.92 1zug s LYS 69 CO 0.00 -2.37 1.58 0.00 0.16 0.00 0.00 175.35 174.72 1zug h ALA 70 N 11.67 -0.92 0.00 3.13 0.00 -1.93 -3.43 119.26 127.78 1zug h ALA 70 Ca -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1zug h ALA 70 Cb 1.08 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1zug h ALA 70 CO 1.26 -1.07 0.00 0.00 0.00 0.00 0.00 179.25 179.45