#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 3.54 -3.58 2.12 7.27 -1.26 -3.46 117.38 122.02 1zug n GLN 2 Ca 0.00 -3.16 -0.10 0.00 0.07 0.00 0.00 57.00 53.81 1zug n GLN 2 Cb 0.00 -2.98 -0.05 0.00 2.41 0.00 0.00 30.24 29.62 1zug n GLN 2 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1zug s THR 3 N 1.09 0.00 0.27 1.69 -1.32 -1.26 -5.07 115.64 111.04 1zug s THR 3 Ca 0.46 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.93 1zug s THR 3 Cb 0.13 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.38 1zug s THR 3 CO -0.04 0.00 1.70 -0.07 -2.21 0.00 0.00 174.62 174.00 1zug h LEU 4 N 2.52 0.20 -0.05 9.08 4.07 -1.85 -1.59 115.31 127.69 1zug h LEU 4 Ca -0.18 0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1zug h LEU 4 Cb 1.17 0.15 -0.00 0.00 1.08 0.00 0.00 40.66 43.06 1zug h LEU 4 CO 0.31 0.00 0.02 0.77 -1.08 0.00 0.00 178.44 178.46 1zug h SER 5 N 0.36 0.07 0.77 -0.43 4.64 -1.88 -1.27 113.55 115.82 1zug h SER 5 Ca 0.48 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 1zug h SER 5 Cb 0.86 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1zug h SER 5 CO -0.51 0.26 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.01 1zug h GLU 6 N -0.12 -1.00 -0.48 4.77 5.08 -1.58 -1.47 114.58 119.78 1zug h GLU 6 Ca 0.02 0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1zug h GLU 6 Cb 0.21 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1zug h GLU 6 CO -0.00 -0.67 -0.22 0.07 -1.00 0.00 0.00 179.01 177.19 1zug h ARG 7 N -1.24 0.99 -0.17 2.33 0.11 -1.42 -2.15 114.38 112.83 1zug h ARG 7 Ca -0.11 -0.43 -0.03 0.00 0.10 0.00 0.00 59.98 59.52 1zug h ARG 7 Cb 0.80 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.84 1zug h ARG 7 CO 0.17 1.10 -0.00 1.25 0.10 0.00 0.00 179.97 182.59 1zug h LEU 8 N 0.85 0.29 -0.28 0.08 5.85 -1.28 -2.71 115.31 118.13 1zug h LEU 8 Ca 0.11 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1zug h LEU 8 Cb 0.80 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 1zug h LEU 8 CO 0.07 0.53 -0.09 0.50 -0.34 0.00 0.00 178.44 179.11 1zug h LYS 9 N 0.04 -0.03 -0.53 1.25 3.64 -1.16 -2.56 116.57 117.22 1zug h LYS 9 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1zug h LYS 9 Cb 0.39 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1zug h LYS 9 CO 0.01 -0.02 0.31 -0.22 -2.27 0.00 0.00 179.45 177.26 1zug h LYS 10 N -0.03 0.71 0.12 1.90 1.63 -1.31 -2.26 116.57 117.33 1zug h LYS 10 Ca 0.14 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1zug h LYS 10 Cb 0.24 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1zug h LYS 10 CO -0.30 0.51 -0.06 -0.09 -3.45 0.00 0.00 179.45 176.06 1zug h ARG 11 N 0.73 -0.16 -1.08 1.90 9.65 -1.13 -0.22 114.38 124.07 1zug h ARG 11 Ca 0.19 0.01 0.32 0.00 -1.10 0.00 0.00 59.98 59.40 1zug h ARG 11 Cb -0.02 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 28.47 1zug h ARG 11 CO -0.04 0.08 0.67 -0.09 2.80 0.00 0.00 179.97 183.39 1zug h ARG 12 N -0.38 0.32 0.30 0.20 2.43 -1.18 -0.38 114.38 115.69 1zug h ARG 12 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1zug h ARG 12 Cb 0.31 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1zug h ARG 12 CO 0.03 0.21 -0.14 0.82 -1.51 0.00 0.00 179.97 179.37 1zug h ILE 13 N 0.33 0.29 -0.88 1.20 2.04 -1.08 -1.59 117.51 117.82 1zug h ILE 13 Ca 0.70 -0.80 0.25 0.00 1.00 0.00 0.00 64.86 66.01 1zug h ILE 13 Cb 1.76 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1zug h ILE 13 CO -0.45 0.08 0.63 0.00 0.00 0.00 0.00 178.15 178.40 1zug h ALA 14 N -0.84 2.81 -0.07 1.87 0.00 -0.39 -0.30 119.26 122.33 1zug h ALA 14 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1zug h ALA 14 Cb 0.43 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1zug h ALA 14 CO 0.07 -1.06 0.00 1.28 0.00 0.00 0.00 179.25 179.54 1zug n LEU 15 N -4.28 1.64 -3.90 0.00 4.77 -0.21 -4.97 117.00 110.05 1zug n LEU 15 Ca 0.18 -0.60 -0.27 0.00 -0.03 0.00 0.00 56.01 55.29 1zug n LEU 15 Cb 0.94 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 42.00 1zug n LEU 15 CO 0.38 0.30 -0.04 0.29 -1.33 0.00 0.00 177.39 176.99 1zug n LYS 16 N 0.29 -4.55 -4.98 3.23 4.01 -0.13 -4.99 118.16 111.04 1zug n LYS 16 Ca 0.18 0.53 -0.32 0.00 -0.51 0.00 0.00 58.31 58.19 1zug n LYS 16 Cb 0.36 -5.13 -0.14 0.00 -0.51 0.00 0.00 35.03 29.61 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 -6.45 2.38 0.18 1.97 -1.94 -0.61 -5.05 119.30 109.77 1zug s MET 17 Ca 0.33 -0.77 -0.05 0.00 -1.71 0.00 0.00 55.69 53.49 1zug s MET 17 Cb -0.17 -2.28 -0.06 0.00 2.01 0.00 0.00 34.83 34.33 1zug s MET 17 CO 0.85 0.60 0.42 0.95 -0.01 0.00 0.00 175.02 177.84 1zug s THR 18 N -0.71 5.12 0.41 2.05 -4.23 -1.26 -4.46 115.64 112.56 1zug s THR 18 Ca 0.11 0.04 0.13 0.00 -1.18 0.00 0.00 61.69 60.80 1zug s THR 18 Cb -0.10 -3.65 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1zug s THR 18 CO 0.00 -0.05 1.94 1.56 -0.54 0.00 0.00 174.62 177.54 1zug h GLN 19 N 2.54 0.47 -0.85 3.99 4.20 -1.98 -0.66 115.11 122.82 1zug h GLN 19 Ca -0.47 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1zug h GLN 19 Cb 1.17 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 1zug h GLN 19 CO 0.71 0.31 0.55 1.79 -0.67 0.00 0.00 178.83 181.52 1zug h THR 20 N 0.48 1.22 -0.50 -0.54 1.35 -1.95 0.50 112.91 113.48 1zug h THR 20 Ca 0.34 -0.43 -0.06 0.00 -0.55 0.00 0.00 66.41 65.71 1zug h THR 20 Cb 0.66 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1zug h THR 20 CO -0.11 0.22 0.08 -0.08 -0.25 0.00 0.00 175.52 175.38 1zug h GLU 21 N 1.16 0.82 -0.23 4.72 4.22 -1.58 -2.13 114.58 121.57 1zug h GLU 21 Ca 0.31 -0.22 -0.13 0.00 0.08 0.00 0.00 59.36 59.40 1zug h GLU 21 Cb -0.11 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1zug h GLU 21 CO -0.06 0.82 -0.35 1.25 -2.18 0.00 0.00 179.01 178.49 1zug h LEU 22 N 0.70 0.70 -0.50 1.64 5.85 -0.85 0.10 115.31 122.95 1zug h LEU 22 Ca 0.15 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.44 1zug h LEU 22 Cb 0.40 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1zug h LEU 22 CO 0.01 1.08 0.08 0.00 -0.34 0.00 0.00 178.44 179.27 1zug h ALA 23 N 0.64 0.55 0.45 1.25 0.00 0.03 0.19 119.26 122.38 1zug h ALA 23 Ca 0.02 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1zug h ALA 23 Cb 0.93 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1zug h ALA 23 CO 0.08 -0.33 -0.22 1.15 0.00 0.00 0.00 179.25 179.94 1zug h THR 24 N 0.21 0.54 -0.43 0.00 2.02 -1.20 -0.89 112.91 113.15 1zug h THR 24 Ca 0.25 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1zug h THR 24 Cb 0.36 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1zug h THR 24 CO -0.35 0.04 0.15 0.11 0.37 0.00 0.00 175.52 175.84 1zug h LYS 25 N -0.74 0.31 0.00 6.66 1.79 -0.67 -2.50 116.57 121.42 1zug h LYS 25 Ca -0.06 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1zug h LYS 25 Cb 0.53 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1zug h LYS 25 CO 0.10 0.20 -0.00 0.00 -1.08 0.00 0.00 179.45 178.67 1zug n ALA 26 N -2.38 2.29 -3.20 3.86 0.00 0.66 -4.85 120.51 116.88 1zug n ALA 26 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1zug n ALA 26 Cb 0.16 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.20 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 1.33 -0.00 3.44 0.00 0.00 -0.49 -4.70 105.19 104.78 1zug n GLY 27 Ca 0.06 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.20 0.62 0.38 1.61 -7.23 -0.46 -5.05 120.40 107.06 1zug s VAL 28 Ca 0.37 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.41 1zug s VAL 28 Cb -0.17 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1zug s VAL 28 CO 0.47 0.00 0.79 -0.54 -0.31 0.00 0.00 175.10 175.50 1zug s LYS 29 N -3.79 3.93 0.17 4.82 1.02 -1.26 -4.27 119.74 120.36 1zug s LYS 29 Ca 0.31 0.66 -0.15 0.00 0.02 0.00 0.00 55.97 56.81 1zug s LYS 29 Cb 0.05 -2.37 0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1zug s LYS 29 CO 0.16 0.03 1.83 0.37 -0.92 0.00 0.00 175.35 176.82 1zug h GLN 30 N 1.74 0.66 -0.71 1.68 -0.00 -1.91 -2.59 115.11 113.98 1zug h GLN 30 Ca -0.48 -0.04 0.09 0.00 -0.00 0.00 0.00 58.65 58.22 1zug h GLN 30 Cb 1.18 -0.15 -0.07 0.00 0.00 0.00 0.00 27.48 28.44 1zug h GLN 30 CO 0.64 0.43 0.37 0.37 0.00 0.00 0.00 178.83 180.64 1zug h GLN 31 N 0.67 0.62 -0.73 1.69 -0.00 -1.96 -1.60 115.11 113.81 1zug h GLN 31 Ca 0.18 -0.04 0.14 0.00 -0.00 0.00 0.00 58.65 58.94 1zug h GLN 31 Cb -0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 27.48 27.17 1zug h GLN 31 CO -0.04 0.41 0.25 0.77 0.00 0.00 0.00 178.83 180.21 1zug h SER 32 N 0.63 0.18 0.41 -0.69 0.02 -1.86 -1.15 113.55 111.09 1zug h SER 32 Ca 0.35 0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 61.19 1zug h SER 32 Cb 0.34 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1zug h SER 32 CO -0.25 0.06 -0.97 0.40 -1.14 0.00 0.00 176.83 174.93 1zug h ILE 33 N 0.37 1.43 -0.82 3.27 2.04 -1.24 -3.10 117.51 119.47 1zug h ILE 33 Ca 0.40 -2.54 0.11 0.00 1.00 0.00 0.00 64.86 63.83 1zug h ILE 33 Cb 0.62 2.49 -0.06 0.00 -0.74 0.00 0.00 36.82 39.13 1zug h ILE 33 CO -0.43 0.75 0.53 1.56 0.00 0.00 0.00 178.15 180.57 1zug h GLN 34 N 0.19 0.68 -0.81 2.37 4.20 -0.31 -1.19 115.11 120.24 1zug h GLN 34 Ca -0.08 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.73 1zug h GLN 34 Cb 1.61 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 29.18 1zug h GLN 34 CO 0.16 0.45 0.53 -0.07 -0.67 0.00 0.00 178.83 179.24 1zug h LEU 35 N 0.70 0.50 0.02 1.46 3.38 -1.26 0.46 115.31 120.57 1zug h LEU 35 Ca 0.39 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 1zug h LEU 35 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1zug h LEU 35 CO -0.16 0.26 -0.01 0.40 0.09 0.00 0.00 178.44 179.02 1zug h ILE 36 N 0.53 1.46 -0.65 1.22 2.04 -1.38 -1.18 117.51 119.55 1zug h ILE 36 Ca 0.40 -1.69 0.11 0.00 1.00 0.00 0.00 64.86 64.68 1zug h ILE 36 Cb 0.79 2.56 -0.08 0.00 -0.74 0.00 0.00 36.82 39.35 1zug h ILE 36 CO -0.15 0.42 0.25 -0.08 0.00 0.00 0.00 178.15 178.59 1zug h GLU 37 N -0.79 0.41 0.00 2.37 4.81 -0.41 0.64 114.58 121.61 1zug h GLU 37 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1zug h GLU 37 Cb 0.71 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1zug h GLU 37 CO 0.01 0.27 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 1zug n ALA 38 N -2.49 2.15 -2.63 2.92 0.00 0.15 -4.79 120.51 115.83 1zug n ALA 38 Ca 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 1zug n ALA 38 Cb 0.31 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 0.38 0.27 0.84 0.00 0.00 0.22 -5.00 105.19 101.90 1zug n GLY 39 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.54 0.72 -2.35 1.61 0.31 -0.64 -4.89 118.33 110.56 1zug n VAL 40 Ca -0.06 0.24 -0.36 0.00 -0.01 0.00 0.00 64.34 64.15 1zug n VAL 40 Cb 0.54 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 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 -1.65 3.82 -2.00 2.52 2.01 -0.54 -4.79 115.64 115.01 1zug s THR 41 Ca -0.03 -1.25 0.23 0.00 0.31 0.00 0.00 61.69 60.94 1zug s THR 41 Cb 0.00 -4.84 0.64 0.00 0.01 0.00 0.00 72.50 68.32 1zug s THR 41 CO 0.05 -1.55 1.77 0.29 -0.69 0.00 0.00 174.62 174.49 1zug n LYS 42 N 8.48 0.83 -3.21 4.92 4.76 -1.26 -4.09 118.16 128.58 1zug n LYS 42 Ca 0.44 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.87 1zug n LYS 42 Cb 0.47 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 1zug n LYS 42 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1zug s ARG 43 N -2.00 0.50 -0.07 1.97 3.52 -1.26 -4.95 118.95 116.66 1zug s ARG 43 Ca 0.34 0.47 -0.15 0.00 -0.13 0.00 0.00 55.73 56.26 1zug s ARG 43 Cb 0.16 0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 1zug s ARG 43 CO 0.26 -0.97 0.38 -1.25 -0.81 0.00 0.00 175.30 172.92 1zug s PRO 44 N 2.72 4.06 0.24 5.12 0.04 -1.26 -5.02 135.00 140.90 1zug s PRO 44 Ca 0.11 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.41 1zug s PRO 44 Cb -0.12 -3.31 0.23 0.00 0.04 0.00 0.00 34.50 31.34 1zug s PRO 44 CO -0.26 0.48 1.85 0.07 0.04 0.00 0.00 177.00 179.18 1zug h ARG 45 N 5.59 1.22 -0.89 4.56 0.11 -2.01 -2.73 114.38 120.22 1zug h ARG 45 Ca -0.47 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.45 1zug h ARG 45 Cb 1.20 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1zug h ARG 45 CO 0.67 0.91 0.00 1.97 0.10 0.00 0.00 179.97 183.62 1zug n PHE 46 N -4.32 0.00 -0.17 4.08 1.16 -1.26 -4.23 117.46 112.72 1zug n PHE 46 Ca 0.09 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.71 1zug n PHE 46 Cb 0.12 -0.09 0.32 0.00 -1.61 0.00 0.00 39.48 38.22 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 0.71 0.35 5.98 -0.00 -1.91 -2.19 115.31 118.35 1zug h LEU 47 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1zug h LEU 47 Cb 0.45 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 1zug h LEU 47 CO 0.00 0.49 -0.36 0.15 -0.00 0.00 0.00 178.44 178.72 1zug h PHE 48 N 0.83 -0.97 -0.01 0.17 3.57 -1.87 0.18 116.94 118.85 1zug h PHE 48 Ca 0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1zug h PHE 48 Cb 0.07 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1zug h PHE 48 CO -0.00 -0.50 0.01 0.93 -2.23 0.00 0.00 178.31 176.51 1zug h GLU 49 N -0.73 0.01 0.28 1.11 3.07 -1.79 -1.69 114.58 114.85 1zug h GLU 49 Ca -0.02 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1zug h GLU 49 Cb 0.67 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1zug h GLU 49 CO -0.07 0.01 -0.14 0.82 -1.40 0.00 0.00 179.01 178.24 1zug h ILE 50 N 0.01 0.74 -0.40 3.13 2.04 -1.26 -1.02 117.51 120.75 1zug h ILE 50 Ca 0.00 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1zug h ILE 50 Cb 0.00 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1zug h ILE 50 CO -0.00 0.04 0.19 0.00 0.00 0.00 0.00 178.15 178.37 1zug h ALA 51 N 0.23 0.50 -0.28 1.87 0.00 -0.50 0.71 119.26 121.78 1zug h ALA 51 Ca -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1zug h ALA 51 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1zug h ALA 51 CO 0.06 -0.18 0.05 0.52 0.00 0.00 0.00 179.25 179.70 1zug h MET 52 N 0.38 0.46 -0.12 0.00 2.86 -1.26 0.15 114.93 117.40 1zug h MET 52 Ca 0.18 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1zug h MET 52 Cb 0.10 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1zug h MET 52 CO -0.14 0.56 0.09 0.00 1.06 0.00 0.00 176.91 178.48 1zug h ALA 53 N 0.88 2.09 -0.66 6.32 0.00 -0.83 -1.39 119.26 125.68 1zug h ALA 53 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1zug h ALA 53 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1zug h ALA 53 CO 0.00 -0.15 0.00 -0.11 0.00 0.00 0.00 179.25 179.00 1zug n LEU 54 N -4.47 3.70 -3.74 0.00 7.94 0.21 -4.93 117.00 115.71 1zug n LEU 54 Ca -0.00 -1.82 -0.25 0.00 -1.11 0.00 0.00 56.01 52.83 1zug n LEU 54 Cb 0.21 -0.44 0.05 0.00 0.53 0.00 0.00 43.42 43.76 1zug n LEU 54 CO 0.34 0.91 0.09 0.59 -1.11 0.00 0.00 177.39 178.21 1zug n ASN 55 N 1.54 -3.75 -2.55 1.96 3.02 -0.52 -4.88 115.26 110.07 1zug n ASN 55 Ca 0.23 -0.73 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1zug n ASN 55 Cb 0.59 -4.30 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 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 -2.63 5.54 0.13 0.00 -1.08 -1.26 -3.53 116.67 113.84 1zug s ASP 57 Ca 0.27 0.17 -0.24 0.00 -0.52 0.00 0.00 52.55 52.23 1zug s ASP 57 Cb 0.01 -1.76 -0.03 0.00 -1.46 0.00 0.00 42.92 39.68 1zug s ASP 57 CO 0.19 0.31 1.65 -0.65 0.52 0.00 0.00 175.17 177.19 1zug h PRO 58 N 5.68 -0.30 -0.60 4.34 0.11 -1.90 -2.13 132.00 137.21 1zug h PRO 58 Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1zug h PRO 58 Cb 1.19 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1zug h PRO 58 CO 0.60 -0.20 0.39 0.28 -0.21 0.00 0.00 178.00 178.86 1zug h VAL 59 N -0.31 1.16 0.05 3.15 2.07 -1.82 -2.74 116.25 117.82 1zug h VAL 59 Ca 0.08 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1zug h VAL 59 Cb 0.42 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1zug h VAL 59 CO -0.25 0.16 -0.28 -0.25 0.02 0.00 0.00 177.57 176.97 1zug h TRP 60 N 0.81 -0.75 0.00 1.57 7.01 -1.01 0.45 115.95 124.02 1zug h TRP 60 Ca 0.22 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1zug h TRP 60 Cb -0.07 0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1zug h TRP 60 CO -0.03 -0.38 -0.04 1.37 -2.79 0.00 0.00 178.44 176.58 1zug h LEU 61 N -0.45 0.00 0.00 0.65 8.10 -1.08 0.15 115.31 122.68 1zug h LEU 61 Ca 0.05 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.80 1zug h LEU 61 Cb 0.51 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.69 1zug h LEU 61 CO -0.21 0.04 -2.06 1.67 -4.11 0.00 0.00 178.44 173.78 1zug n GLN 62 N -3.82 1.20 0.00 0.17 0.00 -0.93 -3.98 117.38 110.02 1zug n GLN 62 Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.94 1zug n GLN 62 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.95 1zug n GLN 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1zug n TYR 63 N -2.51 0.00 0.00 3.69 4.01 0.15 -4.87 117.16 117.63 1zug n TYR 63 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1zug n TYR 63 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.95 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 0.40 3.16 3.64 2.72 0.00 0.50 -4.94 105.19 110.68 1zug n GLY 64 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.96 5.12 -2.00 2.61 -1.32 -1.26 -4.84 115.64 111.99 1zug s THR 65 Ca 0.00 0.09 0.10 0.00 -1.21 0.00 0.00 61.69 60.67 1zug s THR 65 Cb 0.00 -3.36 0.28 0.00 -1.51 0.00 0.00 72.50 67.91 1zug s THR 65 CO 0.00 0.39 1.02 1.17 -2.21 0.00 0.00 174.62 174.99 1zug n LYS 66 N 4.03 0.31 -2.19 7.08 3.00 -1.26 -1.51 118.16 127.62 1zug n LYS 66 Ca -0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.74 1zug n LYS 66 Cb 0.52 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 1zug n LYS 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1zug s ARG 67 N -2.00 4.36 0.39 1.64 1.81 -1.26 -4.82 118.95 119.07 1zug s ARG 67 Ca 0.15 2.08 0.10 0.00 -1.72 0.00 0.00 55.73 56.34 1zug s ARG 67 Cb 0.07 -3.20 0.87 0.00 -0.45 0.00 0.00 34.95 32.24 1zug s ARG 67 CO 0.11 -0.31 1.94 0.78 -0.68 0.00 0.00 175.30 177.14 1zug h GLY 68 N 5.64 0.89 -5.12 -3.53 0.00 -2.01 -3.42 103.07 95.52 1zug h GLY 68 Ca -0.44 -0.25 -0.56 0.00 0.00 0.00 0.00 47.33 46.07 1zug h GLY 68 CO 0.79 0.14 0.11 0.54 0.00 0.00 0.00 176.54 178.12 1zug s LYS 69 N -5.57 4.41 -0.85 4.80 1.02 -1.26 -4.84 119.74 117.45 1zug s LYS 69 Ca -0.09 0.86 -0.25 0.00 0.02 0.00 0.00 55.97 56.51 1zug s LYS 69 Cb 0.20 -3.46 -0.11 0.00 -0.52 0.00 0.00 37.83 33.93 1zug s LYS 69 CO 0.77 0.02 2.24 0.00 -0.92 0.00 0.00 175.35 177.46 1zug s ALA 70 N 0.97 1.00 0.00 5.17 0.00 -1.26 -4.95 121.76 122.68 1zug s ALA 70 Ca 0.37 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1zug s ALA 70 Cb -0.17 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.36 1zug s ALA 70 CO 0.17 -5.63 0.34 0.00 0.00 0.00 0.00 175.76 170.64