#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 3.11 -3.81 0.03 0.00 -1.26 -2.29 117.38 113.16 1zug n GLN 2 Ca 0.00 -2.56 -0.12 0.00 0.00 0.00 0.00 57.00 54.32 1zug n GLN 2 Cb 0.00 -3.15 -0.09 0.00 0.00 0.00 0.00 30.24 27.00 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 2.77 0.08 0.29 -0.39 -4.23 -1.26 -4.67 115.64 108.23 1zug s THR 3 Ca 0.52 -0.68 0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1zug s THR 3 Cb 0.15 -0.70 0.37 0.00 1.34 0.00 0.00 72.50 73.66 1zug s THR 3 CO -0.08 -0.37 1.43 0.18 -0.54 0.00 0.00 174.62 175.24 1zug n LEU 4 N 1.05 -0.03 -0.06 4.79 4.32 -0.79 -1.51 117.00 124.77 1zug n LEU 4 Ca -0.21 1.54 -0.15 0.00 -0.02 0.00 0.00 56.01 57.17 1zug n LEU 4 Cb 0.57 -0.60 -0.13 0.00 -1.62 0.00 0.00 43.42 41.65 1zug n LEU 4 CO 0.22 -1.59 0.26 0.77 -1.22 0.00 0.00 177.39 175.83 1zug h SER 5 N 0.00 0.05 0.15 -1.43 4.64 -1.75 -3.27 113.55 111.94 1zug h SER 5 Ca 0.59 -0.95 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1zug h SER 5 Cb 1.31 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1zug h SER 5 CO -0.83 1.09 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.82 1zug h GLU 6 N -0.93 -0.20 -0.57 4.77 5.08 -1.66 -0.15 114.58 120.93 1zug h GLU 6 Ca -0.05 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1zug h GLU 6 Cb 1.10 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1zug h GLU 6 CO -0.00 0.20 0.18 -0.09 -1.00 0.00 0.00 179.01 178.30 1zug h ARG 7 N -0.66 0.88 -0.08 2.33 9.65 -0.84 -0.96 114.38 124.70 1zug h ARG 7 Ca -0.02 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 1zug h ARG 7 Cb 0.49 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1zug h ARG 7 CO 0.03 0.79 0.00 1.25 2.80 0.00 0.00 179.97 184.85 1zug h LEU 8 N 0.79 0.13 0.07 3.80 5.85 -1.59 -3.14 115.31 121.23 1zug h LEU 8 Ca 0.18 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1zug h LEU 8 Cb 0.27 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1zug h LEU 8 CO -0.01 0.40 -0.15 0.50 -0.34 0.00 0.00 178.44 178.85 1zug h LYS 9 N -0.14 -0.27 -0.24 1.25 3.64 -0.65 -2.19 116.57 117.97 1zug h LYS 9 Ca 0.02 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1zug h LYS 9 Cb 0.33 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1zug h LYS 9 CO 0.00 -0.18 0.04 1.57 -2.27 0.00 0.00 179.45 178.61 1zug h LYS 10 N -0.28 0.34 -0.26 1.90 2.10 -1.26 -2.37 116.57 116.74 1zug h LYS 10 Ca 0.03 -0.05 -0.18 0.00 -2.00 0.00 0.00 60.65 58.45 1zug h LYS 10 Cb 0.31 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1zug h LYS 10 CO -0.09 0.33 -0.55 -0.09 -2.00 0.00 0.00 179.45 177.04 1zug h ARG 11 N 0.33 0.79 -0.68 0.07 9.65 -1.44 -0.68 114.38 122.42 1zug h ARG 11 Ca 0.08 -0.50 0.10 0.00 -1.10 0.00 0.00 59.98 58.56 1zug h ARG 11 Cb 0.16 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.73 1zug h ARG 11 CO -0.00 1.13 0.31 -0.09 2.80 0.00 0.00 179.97 184.12 1zug h ARG 12 N 0.60 0.50 0.09 0.20 2.43 -0.90 0.89 114.38 118.20 1zug h ARG 12 Ca 0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1zug h ARG 12 Cb 1.15 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1zug h ARG 12 CO 0.12 0.33 -0.04 0.82 -1.51 0.00 0.00 179.97 179.69 1zug h ILE 13 N 0.52 1.05 -0.61 1.20 2.04 -1.37 0.25 117.51 120.59 1zug h ILE 13 Ca 0.34 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.81 1zug h ILE 13 Cb 0.40 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1zug h ILE 13 CO -0.29 0.13 0.41 0.00 0.00 0.00 0.00 178.15 178.39 1zug h ALA 14 N 0.54 2.10 -0.05 1.87 0.00 -0.30 0.27 119.26 123.68 1zug h ALA 14 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1zug h ALA 14 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1zug h ALA 14 CO 0.02 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.31 1zug n LEU 15 N -4.46 1.27 -3.66 0.00 4.32 0.23 -4.95 117.00 109.75 1zug n LEU 15 Ca 0.10 -0.46 -0.28 0.00 -0.02 0.00 0.00 56.01 55.36 1zug n LEU 15 Cb 0.43 -0.02 0.02 0.00 -1.62 0.00 0.00 43.42 42.22 1zug n LEU 15 CO 0.34 0.23 0.06 0.29 -1.22 0.00 0.00 177.39 177.09 1zug n LYS 16 N 0.01 -4.99 -4.30 3.23 5.02 0.08 -4.98 118.16 112.23 1zug n LYS 16 Ca 0.19 0.61 -0.35 0.00 -2.02 0.00 0.00 58.31 56.74 1zug n LYS 16 Cb 0.30 -5.46 -0.10 0.00 -0.02 0.00 0.00 35.03 29.75 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 -6.36 3.23 0.19 1.97 1.75 0.03 -5.01 119.30 115.10 1zug s MET 17 Ca 0.56 -0.40 -0.07 0.00 -1.25 0.00 0.00 55.69 54.53 1zug s MET 17 Cb -0.28 -2.89 -0.06 0.00 2.84 0.00 0.00 34.83 34.44 1zug s MET 17 CO 0.69 0.59 0.46 0.95 -0.65 0.00 0.00 175.02 177.06 1zug s THR 18 N -0.57 5.05 0.31 10.11 -4.23 -1.26 -4.30 115.64 120.75 1zug s THR 18 Ca 0.10 0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 1zug s THR 18 Cb -0.12 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.40 1zug s THR 18 CO 0.02 -0.02 1.84 -0.61 -0.54 0.00 0.00 174.62 175.31 1zug h GLN 19 N 2.68 0.83 -0.91 3.99 4.15 -1.98 -1.29 115.11 122.57 1zug h GLN 19 Ca -0.46 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 58.95 1zug h GLN 19 Cb 1.17 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.62 1zug h GLN 19 CO 0.71 0.55 0.60 1.15 -1.93 0.00 0.00 178.83 179.90 1zug h THR 20 N 0.85 1.13 -0.23 2.39 2.02 -1.95 0.37 112.91 117.49 1zug h THR 20 Ca 0.49 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1zug h THR 20 Cb 0.64 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1zug h THR 20 CO -0.26 0.20 0.02 -0.08 0.37 0.00 0.00 175.52 175.77 1zug h GLU 21 N 1.11 0.39 -0.34 6.66 4.81 -1.68 -2.30 114.58 123.23 1zug h GLU 21 Ca 0.37 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1zug h GLU 21 Cb 0.08 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1zug h GLU 21 CO -0.12 0.55 0.16 1.25 -0.73 0.00 0.00 179.01 180.12 1zug h LEU 22 N 0.17 0.45 -0.44 1.64 5.85 -0.73 -1.19 115.31 121.06 1zug h LEU 22 Ca 0.07 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1zug h LEU 22 Cb 0.37 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 1zug h LEU 22 CO 0.01 0.45 -0.18 0.00 -0.34 0.00 0.00 178.44 178.38 1zug h ALA 23 N 1.02 0.17 0.35 1.25 0.00 -0.28 0.64 119.26 122.41 1zug h ALA 23 Ca 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1zug h ALA 23 Cb 0.12 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1zug h ALA 23 CO -0.01 -0.53 -0.17 1.15 0.00 0.00 0.00 179.25 179.69 1zug h THR 24 N -0.09 0.65 -0.12 0.00 2.02 -1.07 0.41 112.91 114.71 1zug h THR 24 Ca 0.21 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.32 1zug h THR 24 Cb 0.42 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1zug h THR 24 CO -0.50 0.00 -0.28 0.50 0.37 0.00 0.00 175.52 175.60 1zug h LYS 25 N -0.48 0.21 0.00 6.66 3.64 -1.05 -3.04 116.57 122.53 1zug h LYS 25 Ca -0.05 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.05 1zug h LYS 25 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1zug h LYS 25 CO 0.08 0.49 -0.90 0.00 -2.27 0.00 0.00 179.45 176.85 1zug h ALA 26 N 1.52 0.47 0.00 5.00 0.00 -0.69 -3.44 119.26 122.12 1zug h ALA 26 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1zug h ALA 26 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zug h ALA 26 CO 0.04 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1zug n GLY 27 N 0.89 1.33 3.31 0.00 0.00 -0.01 -4.76 105.19 105.95 1zug n GLY 27 Ca -0.05 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 1.43 0.47 1.61 -7.23 -0.37 -5.03 120.40 109.27 1zug s VAL 28 Ca 0.00 -2.13 -0.21 0.00 -1.81 0.00 0.00 61.98 57.84 1zug s VAL 28 Cb 0.00 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 1zug s VAL 28 CO 0.00 -0.61 1.01 -1.59 -0.31 0.00 0.00 175.10 173.61 1zug s LYS 29 N -3.72 3.94 0.28 4.82 -2.85 -1.26 -4.00 119.74 116.95 1zug s LYS 29 Ca 0.21 1.30 0.01 0.00 -1.00 0.00 0.00 55.97 56.50 1zug s LYS 29 Cb 0.02 -2.14 0.61 0.00 -2.06 0.00 0.00 37.83 34.25 1zug s LYS 29 CO 0.05 -0.30 1.77 0.37 0.10 0.00 0.00 175.35 177.33 1zug h GLN 30 N 1.71 0.65 -0.82 1.78 4.15 -1.92 -1.64 115.11 119.02 1zug h GLN 30 Ca -0.49 -0.04 0.20 0.00 0.77 0.00 0.00 58.65 59.09 1zug h GLN 30 Cb 1.21 -0.15 -0.13 0.00 0.21 0.00 0.00 27.48 28.62 1zug h GLN 30 CO 0.60 0.43 0.19 1.96 -1.93 0.00 0.00 178.83 180.08 1zug h GLN 31 N 0.67 0.22 -0.44 1.69 7.50 -1.97 -0.53 115.11 122.24 1zug h GLN 31 Ca 0.51 -0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.66 1zug h GLN 31 Cb 0.75 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.20 1zug h GLN 31 CO -0.38 0.14 0.26 0.77 -1.50 0.00 0.00 178.83 178.13 1zug h SER 32 N 0.23 0.42 0.16 1.46 0.02 -1.69 -2.39 113.55 111.76 1zug h SER 32 Ca 0.49 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.21 1zug h SER 32 Cb 0.92 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.38 1zug h SER 32 CO -0.60 0.30 -0.91 0.40 -1.14 0.00 0.00 176.83 174.88 1zug h ILE 33 N 0.53 1.35 -0.98 3.27 2.04 -1.28 -3.08 117.51 119.36 1zug h ILE 33 Ca 0.17 -2.27 0.19 0.00 1.00 0.00 0.00 64.86 63.95 1zug h ILE 33 Cb 0.01 2.28 -0.11 0.00 -0.74 0.00 0.00 36.82 38.26 1zug h ILE 33 CO -0.08 0.69 0.57 1.56 0.00 0.00 0.00 178.15 180.90 1zug h GLN 34 N 0.33 0.70 -0.82 2.37 1.08 -0.77 0.14 115.11 118.14 1zug h GLN 34 Ca -0.08 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1zug h GLN 34 Cb 1.53 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 28.76 1zug h GLN 34 CO 0.17 0.46 0.54 -0.07 -0.95 0.00 0.00 178.83 178.98 1zug h LEU 35 N 0.72 0.87 -0.01 1.46 3.38 -1.34 0.46 115.31 120.84 1zug h LEU 35 Ca 0.57 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 1zug h LEU 35 Cb 0.89 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1zug h LEU 35 CO -0.39 0.60 -0.06 0.40 0.09 0.00 0.00 178.44 179.08 1zug h ILE 36 N 1.02 1.51 -0.58 1.22 2.04 -1.35 -0.06 117.51 121.30 1zug h ILE 36 Ca 0.32 -1.59 0.09 0.00 1.00 0.00 0.00 64.86 64.69 1zug h ILE 36 Cb 0.03 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1zug h ILE 36 CO -0.09 0.42 0.39 -0.08 0.00 0.00 0.00 178.15 178.79 1zug h GLU 37 N -0.56 0.40 -0.00 2.37 4.22 -0.62 0.72 114.58 121.10 1zug h GLU 37 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1zug h GLU 37 Cb 0.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1zug h GLU 37 CO 0.01 0.26 -0.08 0.00 -2.18 0.00 0.00 179.01 177.02 1zug n ALA 38 N -2.52 2.64 -3.24 2.92 0.00 0.16 -4.71 120.51 115.76 1zug n ALA 38 Ca 0.09 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 1zug n ALA 38 Cb 0.35 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 1.34 -0.17 0.48 0.00 0.00 0.24 -4.97 105.19 102.12 1zug n GLY 39 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.05 0.79 -2.71 1.61 0.31 -0.07 -4.85 118.33 109.36 1zug n VAL 40 Ca -0.07 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.62 1zug n VAL 40 Cb 0.57 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.26 4.37 0.41 2.52 2.01 -1.15 -4.85 115.64 116.69 1zug s THR 41 Ca -0.20 -1.78 0.18 0.00 0.31 0.00 0.00 61.69 60.20 1zug s THR 41 Cb 0.07 -5.04 0.39 0.00 0.01 0.00 0.00 72.50 67.93 1zug s THR 41 CO 0.26 -1.84 1.81 0.07 -0.69 0.00 0.00 174.62 174.23 1zug h LYS 42 N 8.14 0.39 -3.18 4.92 2.10 -1.91 -3.34 116.57 123.70 1zug h LYS 42 Ca 0.32 -0.02 -0.61 0.00 -2.00 0.00 0.00 60.65 58.34 1zug h LYS 42 Cb 0.92 -0.09 -0.40 0.00 -0.90 0.00 0.00 32.23 31.76 1zug h LYS 42 CO 1.35 0.26 -0.73 1.03 -2.00 0.00 0.00 179.45 179.36 1zug s ARG 43 N -5.46 1.24 -0.42 0.07 1.81 -1.26 -5.07 118.95 109.86 1zug s ARG 43 Ca -0.08 -1.89 -0.22 0.00 -1.72 0.00 0.00 55.73 51.82 1zug s ARG 43 Cb 0.24 -2.38 0.02 0.00 -0.45 0.00 0.00 34.95 32.38 1zug s ARG 43 CO 0.79 -1.12 0.70 -1.25 -0.68 0.00 0.00 175.30 173.74 1zug s PRO 44 N 0.54 3.44 0.54 3.54 0.04 -1.25 -4.95 135.00 136.89 1zug s PRO 44 Ca 0.16 -0.15 0.21 0.00 0.04 0.00 0.00 61.00 61.25 1zug s PRO 44 Cb -0.23 -3.91 1.45 0.00 0.04 0.00 0.00 34.50 31.85 1zug s PRO 44 CO -0.04 -0.97 2.18 0.07 0.04 0.00 0.00 177.00 178.28 1zug h ARG 45 N 8.79 0.00 0.00 4.56 -0.00 -1.99 -0.73 114.38 125.01 1zug h ARG 45 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 1zug h ARG 45 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 1zug h ARG 45 CO 0.90 0.01 0.00 1.97 -0.00 0.00 0.00 179.97 182.85 1zug n PHE 46 N -4.30 0.00 -0.22 4.08 1.16 -1.26 -4.26 117.46 112.65 1zug n PHE 46 Ca -0.03 0.00 0.21 0.00 -1.87 0.00 0.00 57.45 55.76 1zug n PHE 46 Cb 0.09 0.00 0.56 0.00 -1.61 0.00 0.00 39.48 38.52 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 0.00 0.31 0.21 5.98 -0.00 -1.54 -1.37 115.31 118.90 1zug h LEU 47 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1zug h LEU 47 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1zug h LEU 47 CO 0.00 0.12 -0.10 0.15 -0.00 0.00 0.00 178.44 178.61 1zug h PHE 48 N 0.31 -0.26 0.02 0.17 3.57 -1.84 0.22 116.94 119.13 1zug h PHE 48 Ca 0.46 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.97 1zug h PHE 48 Cb 1.29 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 1zug h PHE 48 CO -0.00 -0.16 -0.12 0.93 -2.23 0.00 0.00 178.31 176.72 1zug h GLU 49 N -0.28 -0.21 -0.79 1.11 5.08 -1.59 0.11 114.58 118.01 1zug h GLU 49 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1zug h GLU 49 Cb 0.21 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1zug h GLU 49 CO 0.05 -0.14 0.50 0.82 -1.00 0.00 0.00 179.01 179.23 1zug h ILE 50 N -0.22 1.21 0.13 3.13 2.04 -1.16 -0.29 117.51 122.35 1zug h ILE 50 Ca 0.04 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1zug h ILE 50 Cb 0.27 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1zug h ILE 50 CO -0.11 0.22 -0.06 0.00 0.00 0.00 0.00 178.15 178.20 1zug h ALA 51 N 1.27 -0.18 -0.42 1.87 0.00 -0.08 -0.62 119.26 121.10 1zug h ALA 51 Ca 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1zug h ALA 51 Cb -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1zug h ALA 51 CO -0.06 -0.58 0.24 0.52 0.00 0.00 0.00 179.25 179.37 1zug h MET 52 N -0.21 0.57 -0.50 0.00 2.86 -0.55 0.22 114.93 117.32 1zug h MET 52 Ca -0.02 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1zug h MET 52 Cb 0.17 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 1zug h MET 52 CO 0.03 0.44 0.28 0.00 1.06 0.00 0.00 176.91 178.72 1zug h ALA 53 N 1.10 0.65 -0.02 6.32 0.00 -1.01 -0.73 119.26 125.56 1zug h ALA 53 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1zug h ALA 53 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1zug h ALA 53 CO -0.03 -0.05 0.00 -0.11 0.00 0.00 0.00 179.25 179.06 1zug n LEU 54 N -4.85 0.30 -3.97 0.00 0.00 -0.25 -4.91 117.00 103.33 1zug n LEU 54 Ca 0.04 -0.11 -0.32 0.00 0.00 0.00 0.00 56.01 55.62 1zug n LEU 54 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.52 1zug n LEU 54 CO 0.31 0.06 0.04 0.59 0.00 0.00 0.00 177.39 178.39 1zug n ASN 55 N -0.67 -4.20 -0.60 1.96 3.02 -0.24 -4.98 115.26 109.55 1zug n ASN 55 Ca 0.18 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1zug n ASN 55 Cb 0.13 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 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 0.33 3.16 0.09 0.00 -1.08 -1.22 -4.16 116.67 113.78 1zug s ASP 57 Ca 0.00 -0.46 -0.25 0.00 -0.52 0.00 0.00 52.55 51.32 1zug s ASP 57 Cb 0.00 -0.65 -0.16 0.00 -1.46 0.00 0.00 42.92 40.65 1zug s ASP 57 CO 0.00 0.28 1.72 -0.65 0.52 0.00 0.00 175.17 177.04 1zug h PRO 58 N 5.78 -0.15 -0.39 4.34 0.11 -1.83 -1.78 132.00 138.09 1zug h PRO 58 Ca -0.37 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.64 1zug h PRO 58 Cb 1.15 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1zug h PRO 58 CO 0.47 -0.10 -0.20 0.28 -0.21 0.00 0.00 178.00 178.25 1zug h VAL 59 N -0.16 1.27 0.15 3.15 2.07 -1.79 -3.10 116.25 117.84 1zug h VAL 59 Ca -0.02 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1zug h VAL 59 Cb 0.12 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1zug h VAL 59 CO 0.03 0.43 -0.07 -0.25 0.02 0.00 0.00 177.57 177.72 1zug h TRP 60 N 0.66 -0.19 -0.30 1.57 7.01 -0.99 0.43 115.95 124.13 1zug h TRP 60 Ca 0.10 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.14 1zug h TRP 60 Cb 0.69 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 1zug h TRP 60 CO 0.03 -0.01 0.21 1.37 -2.79 0.00 0.00 178.44 177.25 1zug h LEU 61 N -0.34 0.19 0.00 0.65 8.10 -1.35 0.11 115.31 122.67 1zug h LEU 61 Ca -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1zug h LEU 61 Cb 0.26 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1zug h LEU 61 CO 0.03 0.13 -0.11 1.56 -4.11 0.00 0.00 178.44 175.95 1zug h GLN 62 N 0.22 0.00 0.00 0.17 4.20 -1.45 -3.16 115.11 115.09 1zug h GLN 62 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1zug h GLN 62 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1zug h GLN 62 CO -0.02 0.00 -1.24 0.66 -0.67 0.00 0.00 178.83 177.55 1zug n TYR 63 N -3.54 0.00 -0.00 2.96 4.01 0.15 -1.88 117.16 118.87 1zug n TYR 63 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1zug n TYR 63 Cb 0.05 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 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 1.46 0.06 3.58 2.72 0.00 0.36 -4.72 105.19 108.65 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 -2.01 4.45 -0.17 2.61 -1.32 -1.25 -4.78 115.64 113.16 1zug s THR 65 Ca 0.00 -0.16 -0.04 0.00 -1.21 0.00 0.00 61.69 60.29 1zug s THR 65 Cb 0.00 -2.98 -0.06 0.00 -1.51 0.00 0.00 72.50 67.95 1zug s THR 65 CO 0.00 0.47 2.86 1.17 -2.21 0.00 0.00 174.62 176.91 1zug n LYS 66 N 3.54 1.90 -2.68 7.08 4.81 -1.26 -1.49 118.16 130.05 1zug n LYS 66 Ca -0.17 -1.27 -0.43 0.00 -0.87 0.00 0.00 58.31 55.57 1zug n LYS 66 Cb 0.52 -1.80 -0.03 0.00 0.02 0.00 0.00 35.03 33.75 1zug n LYS 66 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1zug s ARG 67 N -0.34 3.75 0.00 1.64 1.81 -1.26 -3.36 118.95 121.19 1zug s ARG 67 Ca 0.47 0.56 0.00 0.00 -1.72 0.00 0.00 55.73 55.04 1zug s ARG 67 Cb 0.27 -3.87 0.00 0.00 -0.45 0.00 0.00 34.95 30.89 1zug s ARG 67 CO -0.06 -1.22 0.00 0.41 -0.68 0.00 0.00 175.30 173.75 1zug n GLY 68 N 4.66 1.59 2.88 -3.53 0.00 -1.26 -4.38 105.19 105.15 1zug n GLY 68 Ca 0.10 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 1.28 -0.12 1.61 3.01 -1.26 -0.94 119.74 123.32 1zug s LYS 69 Ca 0.00 -1.02 -0.11 0.00 -1.01 0.00 0.00 55.97 53.83 1zug s LYS 69 Cb 0.00 -2.47 -0.05 0.00 -1.01 0.00 0.00 37.83 34.30 1zug s LYS 69 CO 0.00 -0.72 0.24 0.00 0.51 0.00 0.00 175.35 175.38 1zug s ALA 70 N 1.45 3.72 -0.28 5.17 0.00 -1.26 -3.38 121.76 127.19 1zug s ALA 70 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1zug s ALA 70 Cb -0.18 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1zug s ALA 70 CO -0.10 0.35 0.07 0.00 0.00 0.00 0.00 175.76 176.08