#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 -2.17 0.03 3.00 -1.26 -4.58 117.38 112.40 1zug n GLN 2 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1zug n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 0.00 2.92 0.18 5.09 -4.23 -1.26 -2.53 115.64 115.81 1zug s THR 3 Ca 0.00 0.67 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 1zug s THR 3 Cb 0.00 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.81 1zug s THR 3 CO 0.00 -0.03 1.01 0.18 -0.54 0.00 0.00 174.62 175.24 1zug n LEU 4 N -0.75 -0.22 -0.07 4.79 4.32 -1.20 -1.27 117.00 122.62 1zug n LEU 4 Ca 0.09 1.11 -0.13 0.00 -0.02 0.00 0.00 56.01 57.07 1zug n LEU 4 Cb 0.48 -0.34 -0.12 0.00 -1.62 0.00 0.00 43.42 41.82 1zug n LEU 4 CO 0.48 -1.08 0.35 0.77 -1.22 0.00 0.00 177.39 176.69 1zug h SER 5 N 0.00 -0.00 -0.19 -1.43 4.64 -1.78 -2.99 113.55 111.80 1zug h SER 5 Ca 0.32 -0.89 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 1zug h SER 5 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1zug h SER 5 CO -0.66 0.94 0.08 -0.33 -0.87 0.00 0.00 176.83 175.99 1zug h GLU 6 N -0.99 0.29 0.63 4.77 3.07 -1.73 -0.19 114.58 120.42 1zug h GLU 6 Ca -0.00 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 1zug h GLU 6 Cb 0.89 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.76 1zug h GLU 6 CO 0.00 0.34 -0.30 -0.09 -1.40 0.00 0.00 179.01 177.56 1zug h ARG 7 N 0.17 -0.82 -0.18 2.33 9.65 -1.31 -2.46 114.38 121.76 1zug h ARG 7 Ca 0.07 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1zug h ARG 7 Cb 0.16 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1zug h ARG 7 CO -0.01 -0.52 0.12 1.25 2.80 0.00 0.00 179.97 183.60 1zug h LEU 8 N -0.90 0.21 0.18 3.80 5.85 -1.40 -3.02 115.31 120.03 1zug h LEU 8 Ca -0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1zug h LEU 8 Cb 0.67 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1zug h LEU 8 CO 0.14 0.17 -0.17 0.50 -0.34 0.00 0.00 178.44 178.74 1zug h LYS 9 N 0.23 -0.36 -0.30 1.25 3.64 -0.98 -2.76 116.57 117.29 1zug h LYS 9 Ca 0.07 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1zug h LYS 9 Cb -0.01 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1zug h LYS 9 CO -0.01 -0.24 0.08 -0.22 -2.27 0.00 0.00 179.45 176.79 1zug h LYS 10 N -0.37 0.42 -0.19 1.90 1.63 -1.45 -2.86 116.57 115.64 1zug h LYS 10 Ca -0.00 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.60 1zug h LYS 10 Cb 0.35 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1zug h LYS 10 CO -0.03 0.38 -0.48 -0.09 -3.45 0.00 0.00 179.45 175.78 1zug h ARG 11 N 0.42 0.50 -0.82 1.90 9.65 -1.37 -2.70 114.38 121.96 1zug h ARG 11 Ca 0.10 -0.29 0.17 0.00 -1.10 0.00 0.00 59.98 58.86 1zug h ARG 11 Cb 0.15 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 28.64 1zug h ARG 11 CO -0.01 0.88 0.36 0.00 2.80 0.00 0.00 179.97 184.00 1zug h ARG 12 N 0.40 0.45 0.01 0.20 3.08 -1.25 -0.94 114.38 116.33 1zug h ARG 12 Ca 0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1zug h ARG 12 Cb 0.99 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1zug h ARG 12 CO 0.09 0.30 -0.01 0.82 -1.07 0.00 0.00 179.97 180.10 1zug h ILE 13 N 0.46 1.14 -0.72 2.04 2.04 -1.56 0.23 117.51 121.14 1zug h ILE 13 Ca 0.47 -0.47 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1zug h ILE 13 Cb 0.78 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 1zug h ILE 13 CO -0.44 0.12 0.37 0.00 0.00 0.00 0.00 178.15 178.19 1zug h ALA 14 N 0.77 1.00 -0.06 1.87 0.00 -1.30 -0.64 119.26 120.90 1zug h ALA 14 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1zug h ALA 14 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1zug h ALA 14 CO 0.00 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1zug n LEU 15 N -4.85 0.37 -2.79 0.00 7.99 -0.42 -4.89 117.00 112.41 1zug n LEU 15 Ca 0.11 -0.17 -0.18 0.00 -0.01 0.00 0.00 56.01 55.76 1zug n LEU 15 Cb 0.27 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 1zug n LEU 15 CO 0.25 0.09 -0.11 0.29 -1.51 0.00 0.00 177.39 176.40 1zug n LYS 16 N -0.41 -2.99 -4.58 3.23 5.02 -0.25 -4.96 118.16 113.23 1zug n LYS 16 Ca 0.08 0.69 -0.33 0.00 -2.02 0.00 0.00 58.31 56.72 1zug n LYS 16 Cb 0.09 -5.38 -0.13 0.00 -0.02 0.00 0.00 35.03 29.59 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 -5.42 3.33 0.20 1.97 1.75 0.70 -4.98 119.30 116.85 1zug s MET 17 Ca 0.16 -0.58 -0.00 0.00 -1.25 0.00 0.00 55.69 54.02 1zug s MET 17 Cb -0.08 -2.74 -0.04 0.00 2.84 0.00 0.00 34.83 34.81 1zug s MET 17 CO 0.20 0.35 0.38 0.95 -0.65 0.00 0.00 175.02 176.26 1zug s THR 18 N 0.03 5.22 0.29 10.11 -4.23 -1.26 -4.14 115.64 121.66 1zug s THR 18 Ca -0.01 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1zug s THR 18 Cb -0.14 -3.74 0.29 0.00 1.34 0.00 0.00 72.50 70.26 1zug s THR 18 CO 0.03 -0.17 1.79 1.56 -0.54 0.00 0.00 174.62 177.29 1zug h GLN 19 N 1.99 0.80 -0.41 3.99 4.20 -1.98 0.95 115.11 124.66 1zug h GLN 19 Ca -0.48 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.20 1zug h GLN 19 Cb 1.19 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1zug h GLN 19 CO 0.68 0.53 0.24 1.79 -0.67 0.00 0.00 178.83 181.40 1zug h THR 20 N 0.82 1.04 -0.06 -0.54 1.35 -1.96 0.44 112.91 114.00 1zug h THR 20 Ca 0.55 -0.17 0.03 0.00 -0.55 0.00 0.00 66.41 66.27 1zug h THR 20 Cb 0.77 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.66 1zug h THR 20 CO -0.35 0.09 -0.14 -0.08 -0.25 0.00 0.00 175.52 174.79 1zug h GLU 21 N 0.49 -0.20 -0.55 4.72 4.81 -1.78 -1.41 114.58 120.66 1zug h GLU 21 Ca 0.16 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1zug h GLU 21 Cb 0.01 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1zug h GLU 21 CO -0.08 -0.13 0.29 1.25 -0.73 0.00 0.00 179.01 179.61 1zug h LEU 22 N -0.21 0.70 -0.25 1.64 5.85 -0.47 -1.07 115.31 121.50 1zug h LEU 22 Ca 0.07 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1zug h LEU 22 Cb 0.30 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1zug h LEU 22 CO -0.18 0.61 -0.26 0.00 -0.34 0.00 0.00 178.44 178.27 1zug h ALA 23 N 1.12 -0.16 0.53 1.25 0.00 -0.00 0.62 119.26 122.63 1zug h ALA 23 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1zug h ALA 23 Cb 0.07 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1zug h ALA 23 CO -0.03 -0.69 -0.33 1.15 0.00 0.00 0.00 179.25 179.36 1zug h THR 24 N -0.27 0.33 -0.19 0.00 2.02 -0.65 0.64 112.91 114.80 1zug h THR 24 Ca 0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1zug h THR 24 Cb 0.48 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1zug h THR 24 CO -0.40 0.00 0.08 0.11 0.37 0.00 0.00 175.52 175.67 1zug h LYS 25 N -0.82 0.17 0.00 6.66 1.57 -1.06 -1.47 116.57 121.62 1zug h LYS 25 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1zug h LYS 25 Cb 0.66 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1zug h LYS 25 CO 0.07 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.06 1zug n ALA 26 N -2.21 1.48 -3.05 3.86 0.00 0.20 -4.88 120.51 115.91 1zug n ALA 26 Ca -0.03 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 1zug n ALA 26 Cb 0.06 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.40 0.07 3.33 0.00 0.00 -0.55 -4.69 105.19 102.94 1zug n GLY 27 Ca 0.02 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.13 0.42 -0.01 1.61 -7.23 0.13 -5.03 120.40 107.16 1zug s VAL 28 Ca 0.31 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 1zug s VAL 28 Cb -0.14 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 1zug s VAL 28 CO 0.38 0.00 0.29 -1.59 -0.31 0.00 0.00 175.10 173.88 1zug s LYS 29 N -3.91 3.65 0.22 4.82 0.00 -1.26 -3.72 119.74 119.54 1zug s LYS 29 Ca 0.36 0.06 -0.09 0.00 0.00 0.00 0.00 55.97 56.30 1zug s LYS 29 Cb 0.06 -3.12 0.34 0.00 0.00 0.00 0.00 37.83 35.11 1zug s LYS 29 CO 0.16 0.67 1.66 0.37 0.00 0.00 0.00 175.35 178.21 1zug h GLN 30 N 4.32 0.12 -0.88 1.78 -0.00 -1.91 -1.11 115.11 117.43 1zug h GLN 30 Ca -0.51 -0.01 0.21 0.00 -0.00 0.00 0.00 58.65 58.34 1zug h GLN 30 Cb 1.21 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.60 1zug h GLN 30 CO 0.63 0.08 0.59 -0.56 0.00 0.00 0.00 178.83 179.58 1zug h GLN 31 N 0.13 0.27 -0.88 1.69 -0.00 -1.95 -1.97 115.11 112.39 1zug h GLN 31 Ca 0.35 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 59.00 1zug h GLN 31 Cb 0.58 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.48 27.95 1zug h GLN 31 CO -0.56 0.18 0.58 0.77 -0.00 0.00 0.00 178.83 179.80 1zug h SER 32 N 0.28 0.99 0.74 0.06 0.02 -1.61 -2.69 113.55 111.34 1zug h SER 32 Ca 0.45 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.20 1zug h SER 32 Cb 1.29 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1zug h SER 32 CO -0.13 0.70 -0.82 0.40 -1.14 0.00 0.00 176.83 175.85 1zug h ILE 33 N 1.16 1.55 -0.88 3.27 2.04 -1.48 -2.44 117.51 120.73 1zug h ILE 33 Ca 0.33 -2.70 0.10 0.00 1.00 0.00 0.00 64.86 63.60 1zug h ILE 33 Cb -0.08 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 1zug h ILE 33 CO -0.09 0.78 0.57 1.56 0.00 0.00 0.00 178.15 180.97 1zug h GLN 34 N 0.03 0.82 -0.23 2.37 1.08 -1.32 -1.28 115.11 116.57 1zug h GLN 34 Ca -0.02 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1zug h GLN 34 Cb 1.43 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1zug h GLN 34 CO 0.11 0.54 0.15 -0.07 -0.95 0.00 0.00 178.83 178.62 1zug h LEU 35 N 0.84 0.16 0.05 1.46 3.38 -1.22 0.67 115.31 120.66 1zug h LEU 35 Ca 0.42 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1zug h LEU 35 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1zug h LEU 35 CO -0.18 0.11 -0.03 0.40 0.09 0.00 0.00 178.44 178.83 1zug h ILE 36 N 0.19 1.01 0.00 1.22 2.04 -1.57 -1.57 117.51 118.83 1zug h ILE 36 Ca 0.10 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1zug h ILE 36 Cb 0.15 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1zug h ILE 36 CO -0.02 0.32 0.00 -0.33 0.00 0.00 0.00 178.15 178.12 1zug h GLU 37 N -0.94 0.00 0.00 2.37 5.08 -0.35 0.45 114.58 121.20 1zug h GLU 37 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1zug h GLU 37 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1zug h GLU 37 CO 0.01 0.00 -0.73 0.00 -1.00 0.00 0.00 179.01 177.29 1zug n ALA 38 N -1.92 3.41 -2.56 3.43 0.00 0.23 -4.77 120.51 118.34 1zug n ALA 38 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 1zug n ALA 38 Cb 0.15 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.55 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 1.42 0.63 0.34 0.00 0.00 0.15 -5.01 105.19 102.71 1zug n GLY 39 Ca 0.04 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.11 1.13 -3.12 1.61 0.31 -0.65 -4.88 118.33 109.62 1zug n VAL 40 Ca -0.01 -0.30 -0.45 0.00 -0.01 0.00 0.00 64.34 63.57 1zug n VAL 40 Cb 0.51 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 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 -2.38 5.19 0.07 2.52 2.01 -0.87 -4.95 115.64 117.23 1zug s THR 41 Ca -0.29 -2.10 -0.13 0.00 0.31 0.00 0.00 61.69 59.48 1zug s THR 41 Cb 0.11 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 1zug s THR 41 CO 0.37 -1.29 0.89 0.29 -0.69 0.00 0.00 174.62 174.19 1zug n LYS 42 N 5.19 -0.18 -3.97 4.92 5.02 -1.26 -3.26 118.16 124.61 1zug n LYS 42 Ca 0.20 0.87 -0.33 0.00 -2.02 0.00 0.00 58.31 57.04 1zug n LYS 42 Cb 0.47 -1.29 -0.14 0.00 -0.02 0.00 0.00 35.03 34.05 1zug n LYS 42 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1zug s ARG 43 N -4.46 1.95 -0.54 1.97 3.52 -1.26 -5.02 118.95 115.10 1zug s ARG 43 Ca -0.05 -1.61 -0.24 0.00 -0.13 0.00 0.00 55.73 53.69 1zug s ARG 43 Cb 0.05 -3.18 0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1zug s ARG 43 CO 0.26 -0.80 0.95 -1.25 -0.81 0.00 0.00 175.30 173.65 1zug s PRO 44 N 1.06 3.36 0.09 5.12 0.04 -1.20 -4.98 135.00 138.49 1zug s PRO 44 Ca 0.02 -0.20 -0.14 0.00 0.04 0.00 0.00 61.00 60.72 1zug s PRO 44 Cb -0.20 -4.04 0.01 0.00 0.04 0.00 0.00 34.50 30.31 1zug s PRO 44 CO -0.05 -1.47 0.80 0.54 0.04 0.00 0.00 177.00 176.86 1zug n ARG 45 N 7.49 -0.20 0.00 4.56 1.74 -1.26 -0.21 116.66 128.77 1zug n ARG 45 Ca 0.02 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 1zug n ARG 45 Cb 0.48 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1zug n ARG 45 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1zug n PHE 46 N -4.68 0.00 -0.16 -1.55 1.16 -1.26 -4.02 117.46 106.95 1zug n PHE 46 Ca 0.02 0.00 0.24 0.00 -1.87 0.00 0.00 57.45 55.84 1zug n PHE 46 Cb 0.16 -0.14 0.66 0.00 -1.61 0.00 0.00 39.48 38.54 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 0.12 0.12 5.98 -0.00 -1.01 -1.46 115.31 119.06 1zug h LEU 47 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1zug h LEU 47 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1zug h LEU 47 CO 0.00 0.05 -0.06 0.15 -0.00 0.00 0.00 178.44 178.58 1zug h PHE 48 N 0.12 -0.15 -0.38 0.17 3.04 -1.83 0.88 116.94 118.79 1zug h PHE 48 Ca 0.40 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.32 1zug h PHE 48 Cb 1.40 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.94 1zug h PHE 48 CO -0.00 -0.09 0.14 0.93 -2.02 0.00 0.00 178.31 177.27 1zug h GLU 49 N -0.16 0.58 -0.25 1.11 3.07 -1.59 -0.63 114.58 116.70 1zug h GLU 49 Ca -0.02 -0.11 0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1zug h GLU 49 Cb 0.13 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1zug h GLU 49 CO 0.03 0.57 0.07 0.82 -1.40 0.00 0.00 179.01 179.10 1zug h ILE 50 N 0.47 0.92 -0.10 3.13 2.04 -1.39 -1.27 117.51 121.31 1zug h ILE 50 Ca 0.13 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1zug h ILE 50 Cb 0.22 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1zug h ILE 50 CO -0.01 0.03 0.05 0.00 0.00 0.00 0.00 178.15 178.23 1zug h ALA 51 N 1.17 0.12 -0.55 1.87 0.00 -0.49 -0.30 119.26 121.07 1zug h ALA 51 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1zug h ALA 51 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1zug h ALA 51 CO -0.13 -0.41 0.14 0.52 0.00 0.00 0.00 179.25 179.38 1zug h MET 52 N 0.11 0.87 -0.85 0.00 2.86 -1.01 0.32 114.93 117.24 1zug h MET 52 Ca 0.04 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1zug h MET 52 Cb 0.00 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1zug h MET 52 CO -0.02 0.82 0.54 0.00 1.06 0.00 0.00 176.91 179.30 1zug h ALA 53 N 1.02 1.36 -0.00 6.32 0.00 -1.11 -1.24 119.26 125.60 1zug h ALA 53 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1zug h ALA 53 Cb 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1zug h ALA 53 CO 0.00 0.58 -0.06 -0.11 0.00 0.00 0.00 179.25 179.66 1zug n LEU 54 N -4.39 0.12 -3.30 0.00 0.00 -0.13 -4.96 117.00 104.33 1zug n LEU 54 Ca 0.09 0.29 -0.20 0.00 0.00 0.00 0.00 56.01 56.19 1zug n LEU 54 Cb 0.04 -0.34 0.08 0.00 0.00 0.00 0.00 43.42 43.20 1zug n LEU 54 CO 0.37 0.02 0.20 0.59 0.00 0.00 0.00 177.39 178.57 1zug n ASN 55 N -1.32 -4.99 -3.62 1.96 3.02 -0.17 -4.99 115.26 105.16 1zug n ASN 55 Ca 0.11 -0.51 -0.22 0.00 -0.03 0.00 0.00 54.58 53.93 1zug n ASN 55 Cb 0.29 -4.67 -0.08 0.00 -0.61 0.00 0.00 39.78 34.71 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 -3.48 5.33 0.19 0.00 -1.08 -1.26 -3.78 116.67 112.59 1zug s ASP 57 Ca 0.33 0.09 -0.14 0.00 -0.52 0.00 0.00 52.55 52.31 1zug s ASP 57 Cb 0.02 -1.73 0.19 0.00 -1.46 0.00 0.00 42.92 39.94 1zug s ASP 57 CO 0.23 0.27 1.68 -0.65 0.52 0.00 0.00 175.17 177.23 1zug h PRO 58 N 5.94 0.11 -0.26 4.34 0.11 -1.83 -1.72 132.00 138.69 1zug h PRO 58 Ca -0.43 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1zug h PRO 58 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1zug h PRO 58 CO 0.61 0.08 0.02 0.28 -0.21 0.00 0.00 178.00 178.77 1zug h VAL 59 N 0.12 1.25 -0.51 3.15 2.07 -1.82 -2.98 116.25 117.52 1zug h VAL 59 Ca 0.25 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 67.00 1zug h VAL 59 Cb 0.38 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 1zug h VAL 59 CO -0.42 0.28 0.05 -0.25 0.02 0.00 0.00 177.57 177.25 1zug h TRP 60 N 0.25 0.07 0.00 1.57 7.01 -0.84 0.30 115.95 124.30 1zug h TRP 60 Ca 0.08 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1zug h TRP 60 Cb 0.39 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1zug h TRP 60 CO 0.03 -0.07 0.00 1.47 -2.79 0.00 0.00 178.44 177.09 1zug n LEU 61 N -5.18 0.00 -0.04 0.65 -0.00 -0.69 -0.63 117.00 111.11 1zug n LEU 61 Ca 0.06 0.24 -0.08 0.00 -0.00 0.00 0.00 56.01 56.23 1zug n LEU 61 Cb 0.27 -0.24 -0.04 0.00 -0.00 0.00 0.00 43.42 43.41 1zug n LEU 61 CO 0.17 -0.10 -0.80 1.67 -0.00 0.00 0.00 177.39 178.33 1zug n GLN 62 N -1.24 0.20 -0.00 1.47 7.27 -0.71 -3.88 117.38 120.48 1zug n GLN 62 Ca 0.09 0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1zug n GLN 62 Cb 0.13 -0.95 -0.00 0.00 2.41 0.00 0.00 30.24 31.82 1zug n GLN 62 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1zug n TYR 63 N -3.17 0.00 -0.01 3.69 4.01 0.97 -3.23 117.16 119.41 1zug n TYR 63 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1zug n TYR 63 Cb 0.64 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 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 1.93 0.40 3.59 2.72 0.00 0.20 -4.80 105.19 109.23 1zug n GLY 64 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.03 4.58 -1.18 2.61 -1.32 -1.26 -4.84 115.64 112.20 1zug s THR 65 Ca 0.00 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1zug s THR 65 Cb 0.00 -3.06 0.02 0.00 -1.51 0.00 0.00 72.50 67.95 1zug s THR 65 CO 0.00 0.45 0.64 1.17 -2.21 0.00 0.00 174.62 174.67 1zug n LYS 66 N 3.70 1.11 -4.36 7.08 3.00 -1.26 -1.66 118.16 125.76 1zug n LYS 66 Ca -0.17 -0.10 -0.30 0.00 -0.00 0.00 0.00 58.31 57.75 1zug n LYS 66 Cb 0.52 -1.42 -0.04 0.00 0.00 0.00 0.00 35.03 34.08 1zug n LYS 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1zug s ARG 67 N -1.24 2.22 0.00 1.64 3.52 -1.26 -4.83 118.95 119.00 1zug s ARG 67 Ca 0.02 -2.23 0.00 0.00 -0.13 0.00 0.00 55.73 53.39 1zug s ARG 67 Cb 0.01 -1.79 0.00 0.00 -1.56 0.00 0.00 34.95 31.61 1zug s ARG 67 CO 0.01 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.43 1zug n GLY 68 N -1.49 1.84 4.96 8.12 0.00 -1.26 -4.56 105.19 112.80 1zug n GLY 68 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1zug n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1zug n LYS 69 N 0.00 0.00 -2.98 1.61 3.00 -1.26 -4.85 118.16 113.68 1zug n LYS 69 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1zug n LYS 69 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 35.03 34.81 1zug n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1zug s ALA 70 N 0.00 3.32 -2.00 3.14 0.00 -1.26 -3.83 121.76 121.13 1zug s ALA 70 Ca 0.00 -0.96 0.28 0.00 0.00 0.00 0.00 51.96 51.28 1zug s ALA 70 Cb 0.00 -3.44 1.69 0.00 0.00 0.00 0.00 23.12 21.37 1zug s ALA 70 CO 0.00 -1.83 2.03 0.00 0.00 0.00 0.00 175.76 175.96