#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 1.87 -3.52 0.03 3.00 -1.26 -2.89 117.38 114.62 1zug n GLN 2 Ca 0.00 -1.66 -0.09 0.00 -0.01 0.00 0.00 57.00 55.24 1zug n GLN 2 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 30.24 27.54 1zug n GLN 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1zug s THR 3 N 4.06 0.00 0.19 5.09 -1.32 -1.24 -4.69 115.64 117.73 1zug s THR 3 Ca 0.47 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.71 1zug s THR 3 Cb 0.12 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.19 1zug s THR 3 CO 0.03 0.00 1.53 0.18 -2.21 0.00 0.00 174.62 174.15 1zug n LEU 4 N -0.00 -0.85 -0.02 9.08 4.32 -1.23 -2.02 117.00 126.28 1zug n LEU 4 Ca -0.10 1.74 -0.16 0.00 -0.02 0.00 0.00 56.01 57.48 1zug n LEU 4 Cb 0.61 -0.31 -0.10 0.00 -1.62 0.00 0.00 43.42 42.00 1zug n LEU 4 CO 0.12 -1.49 0.38 0.77 -1.22 0.00 0.00 177.39 175.96 1zug h SER 5 N 0.00 0.41 0.52 -1.43 4.64 -1.83 -2.69 113.55 113.16 1zug h SER 5 Ca 0.25 -0.70 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1zug h SER 5 Cb 0.50 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1zug h SER 5 CO -0.96 1.04 -0.25 -0.08 -0.87 0.00 0.00 176.83 175.72 1zug h GLU 6 N -0.20 -0.68 0.00 4.77 4.81 -1.66 -1.04 114.58 120.59 1zug h GLU 6 Ca -0.04 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1zug h GLU 6 Cb 1.06 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1zug h GLU 6 CO 0.08 -0.44 -0.48 -0.09 -0.73 0.00 0.00 179.01 177.34 1zug h ARG 7 N -0.72 0.00 0.78 1.92 2.43 -1.27 -3.13 114.38 114.38 1zug h ARG 7 Ca -0.07 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1zug h ARG 7 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1zug h ARG 7 CO 0.12 0.42 -0.50 1.25 -1.51 0.00 0.00 179.97 179.75 1zug h LEU 8 N 0.00 -1.28 -0.40 3.80 5.85 -1.24 -2.43 115.31 119.61 1zug h LEU 8 Ca -0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1zug h LEU 8 Cb 1.34 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 42.66 1zug h LEU 8 CO 0.06 -0.76 -0.21 0.50 -0.34 0.00 0.00 178.44 177.69 1zug h LYS 9 N -1.20 -0.13 -0.45 1.25 3.64 -1.23 -1.60 116.57 116.84 1zug h LYS 9 Ca -0.10 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1zug h LYS 9 Cb 0.97 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1zug h LYS 9 CO 0.09 -0.09 0.10 0.87 -2.27 0.00 0.00 179.45 178.15 1zug h LYS 10 N -0.13 0.73 -0.43 1.90 1.79 -1.58 -2.55 116.57 116.28 1zug h LYS 10 Ca 0.20 -0.18 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1zug h LYS 10 Cb 0.44 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1zug h LYS 10 CO -0.48 0.73 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.43 1zug h ARG 11 N 0.60 0.77 -0.73 3.15 9.65 -1.11 -1.92 114.38 124.79 1zug h ARG 11 Ca 0.14 -0.25 0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1zug h ARG 11 Cb 0.34 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.78 1zug h ARG 11 CO 0.00 0.85 0.38 0.00 2.80 0.00 0.00 179.97 184.00 1zug h ARG 12 N 0.70 0.62 0.02 0.20 3.08 -0.99 -1.81 114.38 116.20 1zug h ARG 12 Ca 0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1zug h ARG 12 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1zug h ARG 12 CO 0.04 0.41 -0.01 0.82 -1.07 0.00 0.00 179.97 180.16 1zug h ILE 13 N 0.64 1.04 -0.52 2.04 2.04 -1.03 0.13 117.51 121.85 1zug h ILE 13 Ca 0.36 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1zug h ILE 13 Cb 0.37 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1zug h ILE 13 CO -0.26 0.04 0.35 0.00 0.00 0.00 0.00 178.15 178.28 1zug h ALA 14 N 0.89 1.87 -0.00 1.87 0.00 -0.92 -0.08 119.26 122.89 1zug h ALA 14 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1zug h ALA 14 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1zug h ALA 14 CO 0.00 0.05 -0.08 -0.11 0.00 0.00 0.00 179.25 179.11 1zug n LEU 15 N -4.47 0.55 -3.85 0.00 7.94 -0.72 -4.94 117.00 111.50 1zug n LEU 15 Ca 0.07 -0.07 -0.26 0.00 -1.11 0.00 0.00 56.01 54.64 1zug n LEU 15 Cb 0.23 -0.13 0.02 0.00 0.53 0.00 0.00 43.42 44.06 1zug n LEU 15 CO 0.34 0.10 -0.02 1.17 -1.11 0.00 0.00 177.39 177.88 1zug n LYS 16 N -0.81 -4.84 -4.89 1.96 4.81 -0.04 -5.01 118.16 109.34 1zug n LYS 16 Ca 0.16 0.57 -0.33 0.00 -0.87 0.00 0.00 58.31 57.84 1zug n LYS 16 Cb 0.27 -5.21 -0.14 0.00 0.02 0.00 0.00 35.03 29.96 1zug n LYS 16 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1zug s MET 17 N -6.38 2.92 0.18 1.64 1.75 0.39 -5.01 119.30 114.80 1zug s MET 17 Ca 0.32 -0.72 0.06 0.00 -1.25 0.00 0.00 55.69 54.09 1zug s MET 17 Cb -0.16 -2.46 -0.04 0.00 2.84 0.00 0.00 34.83 35.01 1zug s MET 17 CO 0.84 0.40 0.13 0.95 -0.65 0.00 0.00 175.02 176.69 1zug s THR 18 N -0.15 4.38 0.40 10.11 -4.23 -1.26 -4.09 115.64 120.80 1zug s THR 18 Ca -0.01 -1.19 0.13 0.00 -1.18 0.00 0.00 61.69 59.43 1zug s THR 18 Cb -0.14 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.78 1zug s THR 18 CO 0.03 -0.16 1.91 1.56 -0.54 0.00 0.00 174.62 177.42 1zug h GLN 19 N 2.26 0.52 -0.64 3.99 4.20 -1.98 -1.05 115.11 122.42 1zug h GLN 19 Ca -0.48 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.29 1zug h GLN 19 Cb 1.21 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.80 1zug h GLN 19 CO 0.62 0.34 0.28 1.79 -0.67 0.00 0.00 178.83 181.20 1zug h THR 20 N 0.54 0.82 -0.24 -0.54 1.35 -1.96 0.29 112.91 113.17 1zug h THR 20 Ca 0.39 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 66.06 1zug h THR 20 Cb 0.75 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1zug h THR 20 CO -0.15 0.09 0.07 -0.33 -0.25 0.00 0.00 175.52 174.95 1zug h GLU 21 N 0.50 0.37 -0.22 4.72 4.39 -1.68 -2.50 114.58 120.16 1zug h GLU 21 Ca 0.32 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1zug h GLU 21 Cb 0.36 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1zug h GLU 21 CO -0.28 0.46 0.07 1.25 -1.16 0.00 0.00 179.01 179.35 1zug h LEU 22 N 0.21 0.33 -0.56 1.33 5.85 -0.89 -2.06 115.31 119.52 1zug h LEU 22 Ca 0.08 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.70 1zug h LEU 22 Cb 0.25 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.09 1zug h LEU 22 CO -0.00 0.45 -0.17 0.00 -0.34 0.00 0.00 178.44 178.38 1zug h ALA 23 N 0.89 0.31 0.69 1.25 0.00 -0.41 0.10 119.26 122.09 1zug h ALA 23 Ca 0.07 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1zug h ALA 23 Cb 0.24 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1zug h ALA 23 CO -0.00 -0.47 -0.33 1.15 0.00 0.00 0.00 179.25 179.60 1zug h THR 24 N -0.03 0.29 -0.58 0.00 2.02 -1.24 -0.10 112.91 113.27 1zug h THR 24 Ca 0.27 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.40 1zug h THR 24 Cb 0.44 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1zug h THR 24 CO -0.60 0.01 0.33 0.11 0.37 0.00 0.00 175.52 175.75 1zug h LYS 25 N -0.99 0.63 0.00 6.66 1.57 -1.14 -2.26 116.57 121.04 1zug h LYS 25 Ca -0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1zug h LYS 25 Cb 0.73 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1zug h LYS 25 CO 0.16 0.41 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 1zug n ALA 26 N -2.31 1.66 -2.86 3.86 0.00 0.33 -4.89 120.51 116.31 1zug n ALA 26 Ca 0.06 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 1zug n ALA 26 Cb 0.11 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 0.01 -0.05 1.96 0.00 0.00 -0.49 -4.70 105.19 101.92 1zug n GLY 27 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.05 0.00 -3.96 1.61 0.24 -0.17 -5.04 118.33 106.95 1zug n VAL 28 Ca -0.05 -1.37 -0.30 0.00 -2.04 0.00 0.00 64.34 60.58 1zug n VAL 28 Cb 0.57 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.35 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 -2.92 3.28 0.24 7.34 3.01 -1.26 -4.17 119.74 125.25 1zug s LYS 29 Ca 0.10 -0.54 -0.07 0.00 -1.01 0.00 0.00 55.97 54.44 1zug s LYS 29 Cb 0.00 -2.94 0.22 0.00 -1.01 0.00 0.00 37.83 34.11 1zug s LYS 29 CO 0.07 0.58 1.89 0.37 0.51 0.00 0.00 175.35 178.77 1zug h GLN 30 N 2.95 1.26 -0.99 1.68 -0.00 -1.92 -1.71 115.11 116.38 1zug h GLN 30 Ca -0.46 -0.11 0.09 0.00 -0.00 0.00 0.00 58.65 58.17 1zug h GLN 30 Cb 1.17 -0.26 -0.07 0.00 0.00 0.00 0.00 27.48 28.31 1zug h GLN 30 CO 0.72 0.87 0.63 1.96 0.00 0.00 0.00 178.83 183.02 1zug h GLN 31 N 1.28 1.04 -0.35 1.69 7.50 -1.95 -1.38 115.11 122.94 1zug h GLN 31 Ca 0.33 -0.06 0.02 0.00 0.50 0.00 0.00 58.65 59.44 1zug h GLN 31 Cb -0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 27.21 1zug h GLN 31 CO -0.06 0.69 0.20 0.77 -1.50 0.00 0.00 178.83 178.92 1zug h SER 32 N 1.08 0.31 0.51 1.46 0.02 -1.72 -2.34 113.55 112.87 1zug h SER 32 Ca 0.45 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.27 1zug h SER 32 Cb 0.31 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1zug h SER 32 CO -0.21 0.23 -0.64 0.40 -1.14 0.00 0.00 176.83 175.47 1zug h ILE 33 N 0.40 1.43 -0.93 3.27 2.04 -1.26 -2.98 117.51 119.48 1zug h ILE 33 Ca 0.14 -2.12 0.14 0.00 1.00 0.00 0.00 64.86 64.02 1zug h ILE 33 Cb 0.02 2.12 -0.08 0.00 -0.74 0.00 0.00 36.82 38.14 1zug h ILE 33 CO -0.07 0.62 0.59 1.56 0.00 0.00 0.00 178.15 180.84 1zug h GLN 34 N 0.08 0.78 -0.35 2.37 1.08 -0.73 -0.14 115.11 118.19 1zug h GLN 34 Ca -0.01 -0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.25 1zug h GLN 34 Cb 1.14 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.38 1zug h GLN 34 CO 0.09 0.51 0.28 -0.07 -0.95 0.00 0.00 178.83 178.70 1zug h LEU 35 N 0.80 0.00 0.00 1.46 3.38 -1.33 0.55 115.31 120.18 1zug h LEU 35 Ca 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.41 1zug h LEU 35 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1zug h LEU 35 CO -0.23 0.00 -0.19 0.40 0.09 0.00 0.00 178.44 178.51 1zug h ILE 36 N 0.00 0.99 -0.94 1.22 1.08 -1.19 -0.49 117.51 118.17 1zug h ILE 36 Ca 0.17 -1.80 0.15 0.00 -0.39 0.00 0.00 64.86 62.99 1zug h ILE 36 Cb 0.73 1.93 -0.08 0.00 -3.07 0.00 0.00 36.82 36.33 1zug h ILE 36 CO -0.00 0.34 0.60 -0.08 -0.69 0.00 0.00 178.15 178.31 1zug h GLU 37 N -1.00 0.74 0.00 2.37 4.22 -0.40 0.63 114.58 121.14 1zug h GLU 37 Ca -0.04 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1zug h GLU 37 Cb 0.68 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1zug h GLU 37 CO -0.03 0.49 0.00 0.00 -2.18 0.00 0.00 179.01 177.29 1zug n ALA 38 N -2.40 2.04 -2.89 2.92 0.00 0.19 -4.68 120.51 115.68 1zug n ALA 38 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1zug n ALA 38 Cb 0.48 -1.42 0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 0.82 0.38 0.14 0.00 0.00 0.21 -5.02 105.19 101.72 1zug n GLY 39 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.38 0.50 -2.30 1.61 0.31 -0.39 -4.78 118.33 109.90 1zug n VAL 40 Ca -0.00 0.35 -0.36 0.00 -0.01 0.00 0.00 64.34 64.32 1zug n VAL 40 Cb 0.52 -1.72 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 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 -3.13 2.92 0.17 2.52 -1.04 -0.33 -4.79 114.28 110.60 1zug n THR 41 Ca -0.04 -3.03 0.06 0.00 -2.04 0.00 0.00 64.05 58.99 1zug n THR 41 Cb 0.16 -2.26 0.53 0.00 -1.82 0.00 0.00 70.33 66.93 1zug n THR 41 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1zug h LYS 42 N 8.60 0.17 -3.70 -2.82 1.57 -1.86 -3.32 116.57 115.21 1zug h LYS 42 Ca 0.34 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.42 1zug h LYS 42 Cb 0.90 -0.04 -0.37 0.00 0.08 0.00 0.00 32.23 32.80 1zug h LYS 42 CO 1.35 0.17 -0.47 0.50 -0.57 0.00 0.00 179.45 180.43 1zug s ARG 43 N -5.07 2.29 -0.09 3.15 3.52 -1.26 -5.00 118.95 116.49 1zug s ARG 43 Ca -0.06 -2.44 -0.30 0.00 -0.13 0.00 0.00 55.73 52.80 1zug s ARG 43 Cb 0.17 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1zug s ARG 43 CO 0.70 -1.13 1.08 -1.25 -0.81 0.00 0.00 175.30 173.88 1zug s PRO 44 N 0.06 4.39 0.08 5.12 0.04 -1.25 -4.96 135.00 138.48 1zug s PRO 44 Ca 0.16 1.49 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 1zug s PRO 44 Cb -0.22 -3.55 -0.10 0.00 0.04 0.00 0.00 34.50 30.67 1zug s PRO 44 CO -0.03 -0.38 1.54 -0.09 0.04 0.00 0.00 177.00 178.09 1zug h ARG 45 N 7.24 0.31 -0.74 4.56 2.43 -1.98 -3.22 114.38 122.98 1zug h ARG 45 Ca -0.32 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1zug h ARG 45 Cb 1.15 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1zug h ARG 45 CO 0.87 0.47 0.00 1.97 -1.51 0.00 0.00 179.97 181.77 1zug n PHE 46 N -4.75 0.00 -0.29 2.20 1.16 -1.26 -4.49 117.46 110.03 1zug n PHE 46 Ca -0.04 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.57 1zug n PHE 46 Cb 0.19 -0.07 0.24 0.00 -1.61 0.00 0.00 39.48 38.23 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 0.01 0.89 0.30 5.98 -0.00 -1.97 -1.78 115.31 118.74 1zug h LEU 47 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1zug h LEU 47 Cb 0.37 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 1zug h LEU 47 CO 0.00 0.58 -0.47 0.15 -0.00 0.00 0.00 178.44 178.70 1zug h PHE 48 N 1.02 -1.33 -0.58 0.17 3.57 -1.89 -0.56 116.94 117.35 1zug h PHE 48 Ca 0.37 0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.01 1zug h PHE 48 Cb 0.16 0.54 -0.10 0.00 2.79 0.00 0.00 35.95 39.34 1zug h PHE 48 CO -0.00 -0.58 -0.03 0.93 -2.23 0.00 0.00 178.31 176.40 1zug h GLU 49 N -0.81 0.09 0.22 1.11 3.07 -1.64 -0.56 114.58 116.06 1zug h GLU 49 Ca -0.03 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1zug h GLU 49 Cb 0.75 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1zug h GLU 49 CO -0.15 0.06 -0.11 0.82 -1.40 0.00 0.00 179.01 178.23 1zug h ILE 50 N 0.09 0.85 -0.97 3.13 2.04 -1.37 -0.81 117.51 120.47 1zug h ILE 50 Ca 0.30 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1zug h ILE 50 Cb 0.47 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1zug h ILE 50 CO -0.51 0.15 0.64 0.00 0.00 0.00 0.00 178.15 178.42 1zug h ALA 51 N -0.01 1.26 -0.14 1.87 0.00 -0.50 0.31 119.26 122.04 1zug h ALA 51 Ca -0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1zug h ALA 51 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1zug h ALA 51 CO 0.05 0.58 -0.74 0.52 0.00 0.00 0.00 179.25 179.66 1zug h MET 52 N 1.28 0.67 -0.65 0.00 2.86 -1.09 0.24 114.93 118.24 1zug h MET 52 Ca 0.37 -0.53 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1zug h MET 52 Cb -0.09 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1zug h MET 52 CO -0.10 1.15 0.43 0.00 1.06 0.00 0.00 176.91 179.46 1zug h ALA 53 N 0.70 1.55 -0.00 6.32 0.00 -0.67 -0.12 119.26 127.03 1zug h ALA 53 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1zug h ALA 53 Cb 1.34 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1zug h ALA 53 CO 0.14 0.42 0.00 -0.11 0.00 0.00 0.00 179.25 179.70 1zug n LEU 54 N -4.44 0.08 -3.64 0.00 0.00 0.05 -4.93 117.00 104.12 1zug n LEU 54 Ca 0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 56.01 55.82 1zug n LEU 54 Cb 0.05 -0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.50 1zug n LEU 54 CO 0.36 0.02 -0.06 0.59 0.00 0.00 0.00 177.39 178.29 1zug n ASN 55 N -0.87 -3.00 -0.06 1.96 3.02 -0.06 -4.98 115.26 111.27 1zug n ASN 55 Ca 0.21 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1zug n ASN 55 Cb 0.11 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 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 1.42 4.30 0.26 0.00 2.15 -1.26 -3.74 116.67 119.80 1zug s ASP 57 Ca 0.00 -0.14 -0.02 0.00 0.43 0.00 0.00 52.55 52.82 1zug s ASP 57 Cb 0.00 -1.09 0.50 0.00 -0.30 0.00 0.00 42.92 42.03 1zug s ASP 57 CO 0.00 0.33 1.77 -0.65 -0.17 0.00 0.00 175.17 176.44 1zug h PRO 58 N 5.50 0.62 -0.29 4.34 0.11 -1.90 -1.64 132.00 138.73 1zug h PRO 58 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1zug h PRO 58 Cb 1.17 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1zug h PRO 58 CO 0.52 0.41 0.14 0.28 -0.21 0.00 0.00 178.00 179.14 1zug h VAL 59 N 0.64 1.15 -0.64 3.15 2.07 -1.96 -1.91 116.25 118.75 1zug h VAL 59 Ca 0.45 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.67 1zug h VAL 59 Cb 0.60 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1zug h VAL 59 CO -0.35 0.16 0.06 -0.25 0.02 0.00 0.00 177.57 177.21 1zug h TRP 60 N 0.34 0.06 -0.77 1.57 7.01 -1.35 0.29 115.95 123.10 1zug h TRP 60 Ca 0.10 0.04 0.16 0.00 2.11 0.00 0.00 58.89 61.31 1zug h TRP 60 Cb 0.12 0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 1zug h TRP 60 CO -0.02 -0.13 0.52 1.25 -2.79 0.00 0.00 178.44 177.27 1zug h LEU 61 N 0.17 0.36 0.00 0.65 7.12 -0.48 -0.83 115.31 122.29 1zug h LEU 61 Ca 0.34 0.02 -0.32 0.00 0.13 0.00 0.00 57.88 58.06 1zug h LEU 61 Cb 0.56 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.59 1zug h LEU 61 CO -0.51 0.18 -2.20 1.67 -0.13 0.00 0.00 178.44 177.44 1zug n GLN 62 N -4.47 0.60 -0.13 1.25 7.27 -0.58 -4.38 117.38 116.93 1zug n GLN 62 Ca 0.15 0.11 0.05 0.00 0.07 0.00 0.00 57.00 57.39 1zug n GLN 62 Cb 0.58 -1.43 0.12 0.00 2.41 0.00 0.00 30.24 31.93 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 -3.08 0.35 -3.73 3.69 4.01 0.92 -3.50 117.16 115.83 1zug n TYR 63 Ca -0.37 -0.40 -0.24 0.00 -0.16 0.00 0.00 57.90 56.73 1zug n TYR 63 Cb 0.91 -0.02 0.02 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 0.49 -0.49 2.58 2.72 0.00 -0.32 -3.64 105.19 106.53 1zug n GLY 64 Ca 0.10 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1zug n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1zug s THR 65 N -3.68 0.59 -0.90 2.61 -4.23 -1.24 -4.02 115.64 104.76 1zug s THR 65 Ca 0.14 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 1zug s THR 65 Cb -0.04 -1.43 0.15 0.00 1.34 0.00 0.00 72.50 72.51 1zug s THR 65 CO 0.84 -0.89 1.05 -0.75 -0.54 0.00 0.00 174.62 174.33 1zug s LYS 66 N 1.06 3.59 0.18 3.99 2.20 -1.26 -2.98 119.74 126.52 1zug s LYS 66 Ca 0.16 -1.89 -0.09 0.00 -0.36 0.00 0.00 55.97 53.79 1zug s LYS 66 Cb -0.22 -4.81 -0.07 0.00 -1.51 0.00 0.00 37.83 31.23 1zug s LYS 66 CO -0.07 -1.67 0.48 1.03 -0.36 0.00 0.00 175.35 174.75 1zug s ARG 67 N 2.19 3.76 -1.42 4.03 1.81 -1.26 -5.03 118.95 123.04 1zug s ARG 67 Ca 0.29 0.18 -0.10 0.00 -1.72 0.00 0.00 55.73 54.38 1zug s ARG 67 Cb -0.06 -2.78 0.07 0.00 -0.45 0.00 0.00 34.95 31.72 1zug s ARG 67 CO -0.09 0.41 2.30 0.41 -0.68 0.00 0.00 175.30 177.64 1zug n GLY 68 N 0.17 4.62 3.57 -3.53 0.00 -1.26 -4.89 105.19 103.86 1zug n GLY 68 Ca -0.02 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 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 1.45 2.10 0.06 1.61 1.02 -1.26 -4.86 119.74 119.86 1zug s LYS 69 Ca 0.50 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.99 1zug s LYS 69 Cb 0.14 -5.07 -0.03 0.00 -0.52 0.00 0.00 37.83 32.35 1zug s LYS 69 CO -0.06 -4.21 -0.07 0.00 -0.92 0.00 0.00 175.35 170.10 1zug s ALA 70 N 12.58 0.71 0.00 5.17 0.00 -1.26 -5.33 121.76 133.62 1zug s ALA 70 Ca 0.75 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1zug s ALA 70 Cb -0.05 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1zug s ALA 70 CO 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 175.76 175.76