#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1w n LYS 1 N 0.00 0.00 -3.65 2.12 3.00 -1.26 -4.89 118.16 113.48 1x1w n LYS 1 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1x1w n LYS 1 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1x1w n LYS 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1x1w s LYS 2 N 0.00 0.08 -0.14 1.64 2.20 -1.26 -4.59 119.74 117.66 1x1w s LYS 2 Ca 0.00 0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1x1w s LYS 2 Cb 0.00 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1x1w s LYS 2 CO 0.00 -0.02 -0.12 0.00 -0.36 0.00 0.00 175.35 174.85 1x1w s ALA 3 N -0.31 2.62 -0.10 3.13 0.00 -0.07 -5.01 121.76 122.02 1x1w s ALA 3 Ca 0.08 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1x1w s ALA 3 Cb -0.04 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1x1w s ALA 3 CO -0.13 0.15 -0.11 0.08 0.00 0.00 0.00 175.76 175.75 1x1w s VAL 4 N 0.52 3.26 -0.31 0.00 1.01 -1.26 -0.80 120.40 122.81 1x1w s VAL 4 Ca -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1x1w s VAL 4 Cb -0.16 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 33.94 1x1w s VAL 4 CO 0.04 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.08 1x1w s ILE 5 N -0.10 2.98 -0.84 2.22 1.01 -0.32 -5.00 121.20 121.15 1x1w s ILE 5 Ca -0.01 -1.52 -0.25 0.00 0.00 0.00 0.00 60.65 58.88 1x1w s ILE 5 Cb -0.14 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1x1w s ILE 5 CO 0.03 -0.20 1.93 0.20 0.00 0.00 0.00 174.94 176.90 1x1w s ASN 6 N 1.31 5.17 0.52 3.58 -0.87 -1.26 -1.89 114.94 121.50 1x1w s ASN 6 Ca -0.03 -0.45 0.24 0.00 -1.57 0.00 0.00 52.86 51.06 1x1w s ASN 6 Cb -0.20 -2.55 1.33 0.00 -0.02 0.00 0.00 41.25 39.80 1x1w s ASN 6 CO -0.02 -2.66 1.71 1.23 -2.57 0.00 0.00 177.10 174.80 1x1w h GLY 7 N 17.53 0.00 2.00 0.66 0.00 -1.41 0.23 103.07 122.08 1x1w h GLY 7 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1x1w h GLY 7 CO 1.21 0.00 -0.50 1.05 0.00 0.00 0.00 176.54 178.30 1x1w h GLU 8 N 0.00 0.00 -0.66 4.80 4.11 -1.77 -2.46 114.58 118.60 1x1w h GLU 8 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x1w h GLU 8 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1x1w h GLU 8 CO 0.00 0.50 0.00 1.04 0.07 0.00 0.00 179.01 180.62 1x1w n GLN 9 N -3.27 3.68 -2.92 1.06 1.13 0.79 -4.84 117.38 113.01 1x1w n GLN 9 Ca 0.02 -2.77 -0.44 0.00 -1.94 0.00 0.00 57.00 51.87 1x1w n GLN 9 Cb 0.71 -1.89 -0.03 0.00 0.11 0.00 0.00 30.24 29.14 1x1w n GLN 9 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1x1w s ILE 10 N -1.87 4.58 0.04 5.09 -1.09 -1.22 -4.89 121.20 121.84 1x1w s ILE 10 Ca 0.49 -1.05 -0.32 0.00 -2.23 0.00 0.00 60.65 57.54 1x1w s ILE 10 Cb 0.32 -4.71 -0.18 0.00 -1.58 0.00 0.00 42.46 36.31 1x1w s ILE 10 CO 0.24 -1.45 1.35 0.03 -1.23 0.00 0.00 174.94 173.88 1x1w h ARG 11 N 9.15 -1.05 0.00 2.79 3.08 -1.92 -3.44 114.38 122.99 1x1w h ARG 11 Ca -0.06 0.07 -0.36 0.00 0.07 0.00 0.00 59.98 59.70 1x1w h ARG 11 Cb 1.05 0.24 -0.08 0.00 0.08 0.00 0.00 29.97 31.26 1x1w h ARG 11 CO 1.14 -0.69 -0.31 -1.13 -1.07 0.00 0.00 179.97 177.90 1x1w n SER 12 N -5.51 0.86 0.01 7.04 3.41 -1.26 -4.64 113.62 113.53 1x1w n SER 12 Ca -0.14 -2.43 -0.14 0.00 -0.26 0.00 0.00 58.87 55.90 1x1w n SER 12 Cb 0.44 0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 65.12 1x1w n SER 12 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1x1w h ILE 13 N 1.49 1.32 -0.89 -1.33 2.10 -1.91 -2.08 117.51 116.22 1x1w h ILE 13 Ca -0.20 -2.05 -0.01 0.00 1.08 0.00 0.00 64.86 63.68 1x1w h ILE 13 Cb 0.80 2.03 -0.04 0.00 -1.09 0.00 0.00 36.82 38.52 1x1w h ILE 13 CO 0.31 0.63 0.51 0.28 -1.08 0.00 0.00 178.15 178.81 1x1w h SER 14 N 0.42 1.08 -0.91 2.19 0.02 -1.96 0.85 113.55 115.23 1x1w h SER 14 Ca -0.04 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1x1w h SER 14 Cb 1.35 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 1x1w h SER 14 CO 0.14 0.84 0.60 -0.78 -1.14 0.00 0.00 176.83 176.49 1x1w h ASP 15 N 1.23 1.01 -0.18 3.07 -0.00 -1.91 -0.81 116.42 118.83 1x1w h ASP 15 Ca 0.32 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.32 1x1w h ASP 15 Cb -0.02 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.06 1x1w h ASP 15 CO -0.06 0.71 0.07 0.25 -0.00 0.00 0.00 179.24 180.21 1x1w h LEU 16 N 1.18 0.26 -0.95 2.28 5.85 -0.21 -1.67 115.31 122.04 1x1w h LEU 16 Ca 0.35 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1x1w h LEU 16 Cb -0.06 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1x1w h LEU 16 CO -0.10 0.36 0.34 0.45 -0.34 0.00 0.00 178.44 179.15 1x1w h HIS 17 N 0.14 1.09 -0.63 1.25 3.86 -0.63 -0.73 115.15 119.50 1x1w h HIS 17 Ca 0.06 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1x1w h HIS 17 Cb 0.19 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1x1w h HIS 17 CO -0.01 0.81 0.17 1.96 0.86 0.00 0.00 177.93 181.72 1x1w h GLN 18 N 1.08 0.97 -0.17 2.45 4.20 -1.01 -1.05 115.11 121.59 1x1w h GLN 18 Ca 0.26 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1x1w h GLN 18 Cb 0.15 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1x1w h GLN 18 CO -0.03 0.85 -0.05 1.15 -0.67 0.00 0.00 178.83 180.08 1x1w h THR 19 N 0.94 1.29 -0.81 -0.54 2.02 -0.71 -2.84 112.91 112.26 1x1w h THR 19 Ca 0.20 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.37 1x1w h THR 19 Cb 0.30 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 1x1w h THR 19 CO -0.00 0.31 0.52 -0.07 0.37 0.00 0.00 175.52 176.65 1x1w h LEU 20 N 0.04 0.87 -1.24 2.58 3.38 -0.98 0.18 115.31 120.14 1x1w h LEU 20 Ca 0.04 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1x1w h LEU 20 Cb 0.50 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1x1w h LEU 20 CO 0.02 0.61 0.52 0.50 0.09 0.00 0.00 178.44 180.18 1x1w h LYS 21 N 1.03 0.97 0.18 1.13 3.64 -1.13 0.56 116.57 122.94 1x1w h LYS 21 Ca 0.32 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.36 1x1w h LYS 21 Cb -0.02 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1x1w h LYS 21 CO -0.10 0.64 -1.33 0.87 -2.27 0.00 0.00 179.45 177.25 1x1w h LYS 22 N 1.00 0.37 -0.22 1.90 1.79 -1.14 -1.92 116.57 118.35 1x1w h LYS 22 Ca 0.31 -0.64 -0.09 0.00 -2.18 0.00 0.00 60.65 58.05 1x1w h LYS 22 Cb 0.01 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1x1w h LYS 22 CO -0.09 1.31 -0.26 0.93 -1.08 0.00 0.00 179.45 180.26 1x1w h GLU 23 N -0.12 0.41 -0.50 3.15 4.39 -0.54 -3.19 114.58 118.19 1x1w h GLU 23 Ca -0.25 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1x1w h GLU 23 Cb 1.91 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 1x1w h GLU 23 CO 0.17 0.64 0.00 1.28 -1.16 0.00 0.00 179.01 179.94 1x1w n LEU 24 N -4.13 3.36 -3.85 1.33 4.77 0.17 -4.91 117.00 113.74 1x1w n LEU 24 Ca -0.01 -1.93 -0.29 0.00 -0.03 0.00 0.00 56.01 53.75 1x1w n LEU 24 Cb 0.40 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1x1w n LEU 24 CO 0.41 0.83 -0.16 0.00 -1.33 0.00 0.00 177.39 177.14 1x1w n ALA 25 N 1.05 -2.27 -1.48 -1.18 0.00 -0.97 -4.92 120.51 110.74 1x1w n ALA 25 Ca 0.17 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1x1w n ALA 25 Cb 0.51 -2.62 0.13 0.00 0.00 0.00 0.00 19.45 17.47 1x1w n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1w s LEU 26 N -6.81 2.09 0.77 0.00 1.43 -0.76 -4.92 118.68 110.48 1x1w s LEU 26 Ca 0.23 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.26 1x1w s LEU 26 Cb -0.09 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1x1w s LEU 26 CO 0.88 -2.50 1.13 -0.81 0.23 0.00 0.00 176.35 175.28 1x1w n PRO 27 N -3.75 0.38 0.27 1.29 -0.04 -1.26 -4.86 135.00 127.04 1x1w n PRO 27 Ca 0.06 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 1x1w n PRO 27 Cb 0.58 -2.38 0.79 0.00 -0.04 0.00 0.00 33.50 32.45 1x1w n PRO 27 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1x1w h GLU 28 N -0.56 0.00 -0.45 0.54 9.09 -1.98 -1.40 114.58 119.83 1x1w h GLU 28 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1x1w h GLU 28 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1x1w h GLU 28 CO 0.47 0.09 0.00 2.48 0.05 0.00 0.00 179.01 182.09 1x1w n TYR 29 N -3.63 0.60 -1.51 2.06 0.18 -1.26 -4.99 117.16 108.61 1x1w n TYR 29 Ca -0.02 -0.30 -0.59 0.00 1.88 0.00 0.00 57.90 58.87 1x1w n TYR 29 Cb 0.20 -0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.08 1x1w n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1x1w n TYR 30 N 0.79 0.84 1.16 -3.48 9.36 -0.53 -4.83 117.16 120.47 1x1w n TYR 30 Ca 0.15 1.05 0.13 0.00 3.32 0.00 0.00 57.90 62.55 1x1w n TYR 30 Cb 0.38 -2.07 0.63 0.00 -0.63 0.00 0.00 39.34 37.65 1x1w n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x1w n GLY 31 N 1.94 -1.19 3.90 2.98 0.00 -1.26 -4.94 105.19 106.62 1x1w n GLY 31 Ca 0.22 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1x1w n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x1w n GLU 32 N -1.33 -1.71 -3.74 1.61 1.02 -1.26 -4.96 120.64 110.26 1x1w n GLU 32 Ca 0.11 0.33 -0.09 0.00 -0.02 0.00 0.00 57.16 57.49 1x1w n GLU 32 Cb 0.23 -3.90 -0.03 0.00 -0.02 0.00 0.00 31.44 27.71 1x1w n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x1w s ASN 33 N -3.86 -0.30 0.38 1.62 2.20 -1.26 -4.98 114.94 108.74 1x1w s ASN 33 Ca 0.28 -0.48 0.05 0.00 -0.94 0.00 0.00 52.86 51.78 1x1w s ASN 33 Cb -0.12 0.63 0.75 0.00 -2.00 0.00 0.00 41.25 40.51 1x1w s ASN 33 CO 0.90 -1.14 2.02 -0.07 -2.94 0.00 0.00 177.10 175.87 1x1w h LEU 34 N 2.11 0.55 -0.60 3.54 3.38 -1.98 -1.32 115.31 120.99 1x1w h LEU 34 Ca -0.26 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 1x1w h LEU 34 Cb 1.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1x1w h LEU 34 CO 0.33 0.43 -0.39 0.44 0.09 0.00 0.00 178.44 179.33 1x1w h ASP 35 N 0.64 0.71 -0.31 -0.43 3.45 -1.98 -2.24 116.42 116.26 1x1w h ASP 35 Ca 0.17 -0.32 -0.12 0.00 0.43 0.00 0.00 57.03 57.19 1x1w h ASP 35 Cb -0.02 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 1x1w h ASP 35 CO -0.03 1.03 -0.25 0.00 -1.57 0.00 0.00 179.24 178.42 1x1w h ALA 36 N 1.01 0.83 -0.36 3.45 0.00 -1.82 -1.98 119.26 120.38 1x1w h ALA 36 Ca 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1x1w h ALA 36 Cb 0.92 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x1w h ALA 36 CO 0.08 0.64 0.08 1.25 0.00 0.00 0.00 179.25 181.30 1x1w h LEU 37 N 0.69 0.55 0.09 0.00 5.85 -1.14 -0.36 115.31 121.00 1x1w h LEU 37 Ca 0.09 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1x1w h LEU 37 Cb 0.77 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1x1w h LEU 37 CO 0.06 0.65 -0.04 -0.25 -0.34 0.00 0.00 178.44 178.52 1x1w h TRP 38 N 0.43 -0.11 -0.40 1.25 2.91 -1.35 0.12 115.95 118.80 1x1w h TRP 38 Ca 0.11 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.19 1x1w h TRP 38 Cb 0.32 0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.95 1x1w h TRP 38 CO 0.02 -0.05 0.07 0.22 -1.03 0.00 0.00 178.44 177.67 1x1w h ASP 39 N -0.14 -0.02 -0.13 2.65 -0.00 -1.27 -0.23 116.42 117.28 1x1w h ASP 39 Ca -0.01 0.07 -0.07 0.00 -0.00 0.00 0.00 57.03 57.02 1x1w h ASP 39 Cb 0.11 0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.53 1x1w h ASP 39 CO 0.02 0.03 -0.12 0.00 -0.00 0.00 0.00 179.24 179.17 1x1w h ALA 40 N 1.31 1.27 0.00 -0.78 0.00 -0.79 0.15 119.26 120.43 1x1w h ALA 40 Ca 0.20 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1x1w h ALA 40 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1x1w h ALA 40 CO -0.27 0.48 -0.72 -0.07 0.00 0.00 0.00 179.25 178.68 1x1w h LEU 41 N 0.45 0.00 -0.48 0.00 3.38 0.05 -1.47 115.31 117.24 1x1w h LEU 41 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x1w h LEU 41 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x1w h LEU 41 CO 0.03 0.72 -0.57 0.35 0.09 0.00 0.00 178.44 179.05 1x1w n THR 42 N -3.45 0.00 -2.47 0.22 -2.24 -0.17 -4.67 114.28 101.50 1x1w n THR 42 Ca 0.00 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1x1w n THR 42 Cb 0.76 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 70.12 1x1w n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1w n GLY 43 N 1.31 1.18 2.06 3.38 0.00 0.53 -5.00 105.19 108.65 1x1w n GLY 43 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1x1w n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x1w n TRP 44 N -0.14 -2.98 -2.10 1.61 -0.00 -1.10 -4.88 117.44 107.85 1x1w n TRP 44 Ca -0.06 0.45 -0.36 0.00 -0.00 0.00 0.00 57.50 57.53 1x1w n TRP 44 Cb 0.92 1.46 0.02 0.00 -0.00 0.00 0.00 31.31 33.71 1x1w n TRP 44 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1x1w s VAL 45 N -2.00 2.80 0.32 5.87 -7.23 -0.57 -5.02 120.40 114.58 1x1w s VAL 45 Ca 0.00 0.53 -0.07 0.00 -1.81 0.00 0.00 61.98 60.63 1x1w s VAL 45 Cb 0.00 -3.23 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 1x1w s VAL 45 CO 0.00 -0.08 0.62 -1.83 -0.31 0.00 0.00 175.10 173.50 1x1w s GLU 46 N -3.17 3.69 0.29 4.82 -1.05 -1.26 -4.98 118.70 117.04 1x1w s GLU 46 Ca 0.73 0.16 0.11 0.00 -0.15 0.00 0.00 54.97 55.83 1x1w s GLU 46 Cb -0.29 -2.57 -0.05 0.00 -0.44 0.00 0.00 34.13 30.78 1x1w s GLU 46 CO 0.33 0.14 -0.17 0.71 0.95 0.00 0.00 175.26 177.22 1x1w s TYR 47 N -2.16 2.33 0.44 4.83 2.02 -1.26 -4.38 117.35 119.18 1x1w s TYR 47 Ca 0.46 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.56 1x1w s TYR 47 Cb -0.11 -1.07 -0.08 0.00 -0.40 0.00 0.00 41.96 40.30 1x1w s TYR 47 CO 0.30 0.69 1.26 -2.14 -1.57 0.00 0.00 175.55 174.08 1x1w s PRO 48 N -3.54 3.78 -0.12 -1.71 0.02 -1.26 -4.83 135.00 127.34 1x1w s PRO 48 Ca 0.31 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.38 1x1w s PRO 48 Cb -0.04 -2.56 0.01 0.00 0.02 0.00 0.00 34.50 31.93 1x1w s PRO 48 CO 0.16 -0.60 -0.22 -1.17 -0.33 0.00 0.00 177.00 174.83 1x1w s LEU 49 N -2.79 2.06 -0.22 -5.54 2.96 -0.53 0.12 118.68 114.73 1x1w s LEU 49 Ca 0.61 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1x1w s LEU 49 Cb -0.35 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 44.99 1x1w s LEU 49 CO 0.43 0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.74 1x1w s VAL 50 N 0.64 2.30 -0.30 1.68 1.01 -1.26 -0.53 120.40 123.94 1x1w s VAL 50 Ca -0.12 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1x1w s VAL 50 Cb -0.16 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1x1w s VAL 50 CO 0.02 0.27 0.05 -0.22 0.00 0.00 0.00 175.10 175.22 1x1w s LEU 51 N 1.24 3.92 -0.25 3.92 2.96 0.64 -0.89 118.68 130.22 1x1w s LEU 51 Ca -0.01 -1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 52.80 1x1w s LEU 51 Cb -0.16 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1x1w s LEU 51 CO -0.08 -0.24 0.14 -0.70 -1.32 0.00 0.00 176.35 174.15 1x1w s GLU 52 N 1.39 3.91 -0.48 1.98 2.12 0.02 -0.33 118.70 127.31 1x1w s GLU 52 Ca -0.01 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 1x1w s GLU 52 Cb -0.18 -3.51 0.13 0.00 0.26 0.00 0.00 34.13 30.82 1x1w s GLU 52 CO 0.01 -0.08 0.26 -0.46 -0.54 0.00 0.00 175.26 174.44 1x1w s TRP 53 N 1.43 3.51 0.57 5.30 -0.11 0.78 -1.18 118.94 129.25 1x1w s TRP 53 Ca 0.07 -2.71 -0.18 0.00 1.22 0.00 0.00 56.10 54.50 1x1w s TRP 53 Cb -0.15 -3.11 -0.04 0.00 -1.50 0.00 0.00 33.47 28.67 1x1w s TRP 53 CO 0.07 -0.90 1.10 1.03 -4.62 0.00 0.00 176.95 173.63 1x1w s ARG 54 N 0.54 3.26 -1.16 5.86 0.52 -0.80 -2.77 118.95 124.41 1x1w s ARG 54 Ca 0.12 1.46 -0.07 0.00 -0.52 0.00 0.00 55.73 56.72 1x1w s ARG 54 Cb -0.22 -2.01 0.01 0.00 0.52 0.00 0.00 34.95 33.26 1x1w s ARG 54 CO -0.04 -0.90 0.14 1.04 0.02 0.00 0.00 175.30 175.56 1x1w n GLN 55 N -1.67 -0.80 -0.18 3.54 1.13 -1.26 -1.32 117.38 116.83 1x1w n GLN 55 Ca 0.11 0.03 -0.01 0.00 -1.94 0.00 0.00 57.00 55.19 1x1w n GLN 55 Cb 0.52 -2.54 0.07 0.00 0.11 0.00 0.00 30.24 28.40 1x1w n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1x1w h PHE 56 N -1.27 -0.06 -1.00 1.08 3.57 -1.90 -1.67 116.94 115.69 1x1w h PHE 56 Ca -0.53 0.04 0.24 0.00 3.53 0.00 0.00 57.97 61.25 1x1w h PHE 56 Cb 1.11 0.11 -0.12 0.00 2.79 0.00 0.00 35.95 39.83 1x1w h PHE 56 CO 0.38 -0.14 0.59 0.93 -2.23 0.00 0.00 178.31 177.83 1x1w h GLU 57 N 0.11 0.56 -0.20 1.11 3.07 -1.94 0.32 114.58 117.60 1x1w h GLU 57 Ca 0.28 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.95 1x1w h GLU 57 Cb 0.43 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1x1w h GLU 57 CO -0.47 0.37 -0.48 1.96 -1.40 0.00 0.00 179.01 179.00 1x1w h GLN 58 N 0.58 0.68 -0.79 2.33 4.20 -1.60 -3.07 115.11 117.45 1x1w h GLN 58 Ca 0.64 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1x1w h GLN 58 Cb 1.21 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.02 1x1w h GLN 58 CO -0.48 1.08 0.44 1.03 -0.67 0.00 0.00 178.83 180.23 1x1w h SER 59 N 0.38 0.97 -0.13 1.46 0.87 -0.37 -1.37 113.55 115.35 1x1w h SER 59 Ca -0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1x1w h SER 59 Cb 1.09 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1x1w h SER 59 CO 0.10 0.77 0.00 2.29 -0.53 0.00 0.00 176.83 179.47 1x1w n LYS 60 N -4.36 1.34 -0.10 2.24 2.85 0.88 -3.03 118.16 117.99 1x1w n LYS 60 Ca 0.08 -0.48 -0.19 0.00 -1.05 0.00 0.00 58.31 56.67 1x1w n LYS 60 Cb 0.09 -1.15 -0.06 0.00 -0.65 0.00 0.00 35.03 33.26 1x1w n LYS 60 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1x1w n GLN 61 N -0.09 0.45 0.00 -1.58 3.00 -0.54 -2.01 117.38 116.61 1x1w n GLN 61 Ca 0.04 0.19 0.12 0.00 -0.01 0.00 0.00 57.00 57.35 1x1w n GLN 61 Cb 0.14 -1.27 0.69 0.00 0.00 0.00 0.00 30.24 29.80 1x1w n GLN 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x1w n LEU 62 N -4.07 0.00 0.00 1.08 7.99 -1.08 -3.09 117.00 117.83 1x1w n LEU 62 Ca -0.34 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 55.77 1x1w n LEU 62 Cb 0.69 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1x1w n LEU 62 CO 0.07 -0.02 -0.31 0.35 -1.51 0.00 0.00 177.39 175.96 1x1w n THR 63 N -1.11 0.00 -3.37 -5.08 -2.24 -1.17 -4.64 114.28 96.67 1x1w n THR 63 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1x1w n THR 63 Cb 0.13 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1x1w n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1w n GLU 64 N -1.24 0.00 0.00 -0.78 1.02 -0.85 -3.40 120.64 115.39 1x1w n GLU 64 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1x1w n GLU 64 Cb 0.19 0.00 0.51 0.00 -0.02 0.00 0.00 31.44 32.12 1x1w n GLU 64 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1x1w n ASN 65 N 3.97 0.00 -0.10 1.62 6.94 -1.26 -3.18 115.26 123.25 1x1w n ASN 65 Ca 0.00 -0.59 -0.09 0.00 -0.02 0.00 0.00 54.58 53.88 1x1w n ASN 65 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1x1w n ASN 65 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1x1w h GLY 66 N 2.83 0.48 0.97 4.83 0.00 -1.88 -0.66 103.07 109.64 1x1w h GLY 66 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1x1w h GLY 66 CO 0.00 0.21 0.20 0.00 0.00 0.00 0.00 176.54 176.95 1x1w h ALA 67 N 1.05 0.64 -0.66 3.60 0.00 -1.81 -2.04 119.26 120.04 1x1w h ALA 67 Ca 0.11 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1x1w h ALA 67 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1x1w h ALA 67 CO -0.02 0.24 0.40 1.49 0.00 0.00 0.00 179.25 181.36 1x1w h GLU 68 N 0.65 0.75 -0.92 0.00 4.57 -1.69 0.07 114.58 118.01 1x1w h GLU 68 Ca 0.16 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1x1w h GLU 68 Cb 0.18 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 1x1w h GLU 68 CO -0.01 0.50 0.55 0.77 -1.18 0.00 0.00 179.01 179.63 1x1w h SER 69 N 0.77 1.11 -0.40 1.04 0.02 -0.83 0.11 113.55 115.37 1x1w h SER 69 Ca 0.27 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1x1w h SER 69 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1x1w h SER 69 CO -0.12 0.85 -0.13 0.58 -1.14 0.00 0.00 176.83 176.86 1x1w h VAL 70 N 1.27 1.28 -0.72 2.27 2.07 -0.67 -2.90 116.25 118.85 1x1w h VAL 70 Ca 0.33 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 1x1w h VAL 70 Cb -0.05 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1x1w h VAL 70 CO -0.06 0.42 0.19 0.25 0.02 0.00 0.00 177.57 178.38 1x1w h LEU 71 N 0.61 1.08 -0.84 2.57 5.85 -0.48 -2.81 115.31 121.28 1x1w h LEU 71 Ca 0.10 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1x1w h LEU 71 Cb 0.67 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1x1w h LEU 71 CO 0.05 1.02 0.50 1.56 -0.34 0.00 0.00 178.44 181.23 1x1w h GLN 72 N 1.08 0.86 -0.50 1.25 4.20 -0.67 -1.45 115.11 119.88 1x1w h GLN 72 Ca 0.23 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1x1w h GLN 72 Cb 0.36 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1x1w h GLN 72 CO 0.00 0.57 0.31 0.28 -0.67 0.00 0.00 178.83 179.32 1x1w h VAL 73 N 0.89 1.07 -0.78 -0.54 2.07 -1.30 0.44 116.25 118.09 1x1w h VAL 73 Ca 0.38 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1x1w h VAL 73 Cb 0.25 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1x1w h VAL 73 CO -0.20 0.11 0.46 -0.26 0.02 0.00 0.00 177.57 177.71 1x1w h PHE 74 N 0.62 1.04 0.11 1.57 0.04 -1.31 0.23 116.94 119.25 1x1w h PHE 74 Ca 0.20 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1x1w h PHE 74 Cb -0.01 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.80 1x1w h PHE 74 CO -0.06 0.71 -0.05 0.00 -0.60 0.00 0.00 178.31 178.30 1x1w h ARG 75 N 1.08 -0.15 -0.96 1.51 3.08 -0.66 0.06 114.38 118.34 1x1w h ARG 75 Ca 0.28 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.40 1x1w h ARG 75 Cb -0.03 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1x1w h ARG 75 CO -0.05 0.17 0.62 0.93 -1.07 0.00 0.00 179.97 180.58 1x1w h GLU 76 N -0.47 1.08 -0.75 0.04 5.08 0.02 0.25 114.58 119.83 1x1w h GLU 76 Ca -0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1x1w h GLU 76 Cb 0.39 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1x1w h GLU 76 CO 0.03 0.72 0.29 0.00 -1.00 0.00 0.00 179.01 179.05 1x1w h ALA 77 N 1.48 0.97 -0.36 3.43 0.00 -0.32 -0.48 119.26 123.98 1x1w h ALA 77 Ca 0.41 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1x1w h ALA 77 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1x1w h ALA 77 CO -0.16 0.60 -0.04 -0.22 0.00 0.00 0.00 179.25 179.43 1x1w h LYS 78 N 1.08 0.67 -0.87 0.00 3.64 0.55 -2.11 116.57 119.52 1x1w h LYS 78 Ca 0.25 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1x1w h LYS 78 Cb 0.22 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1x1w h LYS 78 CO -0.02 0.80 0.57 0.00 -2.27 0.00 0.00 179.45 178.53 1x1w h ALA 79 N 0.84 1.36 0.00 5.00 0.00 -0.28 -0.90 119.26 125.28 1x1w h ALA 79 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x1w h ALA 79 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x1w h ALA 79 CO 0.03 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1x1w n ALA 80 N -2.40 1.46 0.00 0.00 0.00 -0.21 -4.84 120.51 114.51 1x1w n ALA 80 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1x1w n ALA 80 Cb 0.03 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1x1w n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x1w n GLY 81 N -0.43 1.26 3.74 0.00 0.00 -0.34 -5.09 105.19 104.32 1x1w n GLY 81 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1x1w n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1w s ALA 82 N -1.41 3.67 -1.19 4.61 0.00 -0.81 -4.86 121.76 121.76 1x1w s ALA 82 Ca 0.00 1.37 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 1x1w s ALA 82 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1x1w s ALA 82 CO 0.00 -0.78 1.94 -3.47 0.00 0.00 0.00 175.76 173.44 1x1w n ASP 83 N 2.59 3.71 -4.37 0.00 -0.08 -1.26 -4.39 116.55 112.75 1x1w n ASP 83 Ca 0.08 -2.79 -0.33 0.00 -1.51 0.00 0.00 54.79 50.24 1x1w n ASP 83 Cb 0.40 -1.59 -0.14 0.00 2.34 0.00 0.00 41.12 42.12 1x1w n ASP 83 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1x1w s ILE 84 N 5.97 2.93 -0.19 5.18 1.01 -1.26 -1.46 121.20 133.38 1x1w s ILE 84 Ca 0.57 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1x1w s ILE 84 Cb 0.07 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1x1w s ILE 84 CO 0.07 0.54 -0.11 -0.89 0.00 0.00 0.00 174.94 174.54 1x1w s THR 85 N 0.19 2.86 -0.20 2.92 2.01 0.31 -4.93 115.64 118.80 1x1w s THR 85 Ca -0.09 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 1x1w s THR 85 Cb -0.15 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1x1w s THR 85 CO 0.05 0.48 0.01 -0.63 -0.69 0.00 0.00 174.62 173.84 1x1w s ILE 86 N 1.27 4.02 -0.23 1.82 -1.09 -1.26 -0.26 121.20 125.47 1x1w s ILE 86 Ca 0.03 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.12 1x1w s ILE 86 Cb -0.14 -2.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.92 1x1w s ILE 86 CO -0.05 0.43 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.42 1x1w s ILE 87 N 0.99 3.38 -0.45 2.92 1.01 0.56 -4.98 121.20 124.63 1x1w s ILE 87 Ca 0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1x1w s ILE 87 Cb -0.14 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.81 1x1w s ILE 87 CO 0.02 0.36 0.34 -0.76 0.00 0.00 0.00 174.94 174.90 1x1w s LEU 88 N 1.46 5.40 0.00 2.97 1.43 -1.26 -0.16 118.68 128.52 1x1w s LEU 88 Ca 0.05 -1.29 0.09 0.00 -1.03 0.00 0.00 54.13 51.94 1x1w s LEU 88 Cb -0.15 -2.13 0.07 0.00 0.03 0.00 0.00 46.19 44.01 1x1w s LEU 88 CO -0.03 -0.58 0.77 -1.54 0.23 0.00 0.00 176.35 175.21