#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eio n LYS 3 N 0.00 0.56 -2.31 0.11 4.76 -1.26 -4.92 118.16 115.10 2eio n LYS 3 Ca 0.00 -0.36 -0.42 0.00 -2.87 0.00 0.00 58.31 54.66 2eio n LYS 3 Cb 0.00 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 2eio n LYS 3 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2eio s ILE 4 N -2.69 3.61 -0.24 -0.18 1.01 -1.26 -4.68 121.20 116.77 2eio s ILE 4 Ca 0.18 1.22 -0.13 0.00 0.00 0.00 0.00 60.65 61.92 2eio s ILE 4 Cb 0.18 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2eio s ILE 4 CO 0.61 0.13 0.27 -0.63 0.00 0.00 0.00 174.94 175.33 2eio s ILE 5 N 0.67 5.27 -0.15 2.92 -1.09 -0.68 -4.97 121.20 123.18 2eio s ILE 5 Ca 0.59 0.40 -0.24 0.00 -2.23 0.00 0.00 60.65 59.17 2eio s ILE 5 Cb -0.33 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2eio s ILE 5 CO 0.32 0.26 0.75 -1.00 -1.23 0.00 0.00 174.94 174.04 2eio s HIS 6 N 1.48 3.45 0.51 3.97 3.76 -1.26 -0.79 115.29 126.41 2eio s HIS 6 Ca 0.12 1.17 0.06 0.00 -0.15 0.00 0.00 55.06 56.26 2eio s HIS 6 Cb -0.15 -2.91 0.04 0.00 1.11 0.00 0.00 32.58 30.68 2eio s HIS 6 CO 0.08 -0.14 0.71 -0.51 -0.85 0.00 0.00 174.74 174.03 2eio s LEU 7 N 1.73 3.39 0.14 0.89 1.43 0.34 -4.92 118.68 121.67 2eio s LEU 7 Ca 0.36 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 2eio s LEU 7 Cb -0.17 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.63 2eio s LEU 7 CO 0.14 -1.08 0.35 0.42 0.23 0.00 0.00 176.35 176.41 2eio s THR 8 N -2.59 0.08 0.30 5.49 -4.23 -1.26 -4.53 115.64 108.90 2eio s THR 8 Ca 0.58 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2eio s THR 8 Cb -0.09 -1.42 0.28 0.00 1.34 0.00 0.00 72.50 72.60 2eio s THR 8 CO 0.37 -0.35 1.93 0.44 -0.54 0.00 0.00 174.62 176.46 2eio h ASP 9 N 2.46 0.92 0.58 3.99 3.45 -1.89 -1.38 116.42 124.54 2eio h ASP 9 Ca -0.33 -0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.00 2eio h ASP 9 Cb 1.24 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.79 2eio h ASP 9 CO 0.48 0.61 -0.61 0.44 -1.57 0.00 0.00 179.24 178.59 2eio h ASP 10 N 1.05 0.03 0.08 6.45 3.45 -1.99 -3.24 116.42 122.26 2eio h ASP 10 Ca 0.37 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.81 2eio h ASP 10 Cb 0.11 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 2eio h ASP 10 CO -0.12 0.63 -0.61 -1.54 -1.57 0.00 0.00 179.24 176.03 2eio n SER 11 N -3.82 1.40 -0.27 6.45 3.41 -0.99 -4.45 113.62 115.34 2eio n SER 11 Ca -0.01 -1.13 0.15 0.00 -0.26 0.00 0.00 58.87 57.61 2eio n SER 11 Cb 0.61 0.56 0.42 0.00 -0.26 0.00 0.00 64.21 65.54 2eio n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2eio h PHE 12 N 1.24 0.75 0.36 7.33 3.57 -1.29 0.51 116.94 129.42 2eio h PHE 12 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2eio h PHE 12 Cb 0.61 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2eio h PHE 12 CO 0.00 0.24 -0.17 0.22 -2.23 0.00 0.00 178.31 176.37 2eio h ASP 13 N 0.60 -0.40 -0.05 0.41 1.82 -1.80 -0.99 116.42 116.01 2eio h ASP 13 Ca 0.47 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.99 2eio h ASP 13 Cb 0.90 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 2eio h ASP 13 CO -0.22 -0.09 0.02 0.74 -1.61 0.00 0.00 179.24 178.07 2eio h THR 14 N -0.73 1.17 -0.15 2.25 2.02 -1.75 -1.72 112.91 114.00 2eio h THR 14 Ca -0.05 -0.50 -0.14 0.00 0.77 0.00 0.00 66.41 66.50 2eio h THR 14 Cb 0.50 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2eio h THR 14 CO 0.08 0.14 -0.49 0.44 0.37 0.00 0.00 175.52 176.05 2eio h ASP 15 N -0.11 0.42 0.00 4.18 3.45 -1.00 -3.36 116.42 120.00 2eio h ASP 15 Ca 0.02 -0.21 -0.08 0.00 0.43 0.00 0.00 57.03 57.19 2eio h ASP 15 Cb 0.21 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2eio h ASP 15 CO -0.00 0.85 -0.93 0.52 -1.57 0.00 0.00 179.24 178.11 2eio n VAL 16 N -3.97 1.21 -0.21 -1.35 0.31 -0.38 -4.56 118.33 109.38 2eio n VAL 16 Ca -0.02 0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.34 2eio n VAL 16 Cb 0.55 -1.91 0.02 0.00 -0.91 0.00 0.00 33.84 31.60 2eio n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2eio h LEU 17 N -0.53 0.96 -1.25 7.52 3.38 -1.34 -2.99 115.31 121.05 2eio h LEU 17 Ca -0.11 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2eio h LEU 17 Cb 0.77 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2eio h LEU 17 CO -0.07 1.00 0.00 0.29 0.09 0.00 0.00 178.44 179.75 2eio n LYS 18 N -4.28 1.78 -1.94 1.13 5.02 -0.71 -1.49 118.16 117.68 2eio n LYS 18 Ca 0.03 -1.22 -0.31 0.00 -2.02 0.00 0.00 58.31 54.79 2eio n LYS 18 Cb 0.30 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2eio n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eio s ALA 19 N -1.55 3.09 -0.11 7.82 0.00 -1.13 -4.99 121.76 124.89 2eio s ALA 19 Ca 0.23 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.15 2eio s ALA 19 Cb 0.12 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 2eio s ALA 19 CO 0.16 -0.63 -0.17 -0.51 0.00 0.00 0.00 175.76 174.61 2eio s ASP 20 N -4.02 3.74 0.00 0.00 1.01 -1.26 -4.18 116.67 111.96 2eio s ASP 20 Ca 0.56 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.44 2eio s ASP 20 Cb -0.11 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.42 2eio s ASP 20 CO 0.51 0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.69 2eio n GLY 21 N 3.30 1.73 3.77 0.21 0.00 -1.26 -4.98 105.19 107.96 2eio n GLY 21 Ca -0.18 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 2eio n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eio s ALA 22 N -2.66 3.00 -0.04 4.61 0.00 -1.26 -4.13 121.76 121.27 2eio s ALA 22 Ca 0.00 0.95 0.01 0.00 0.00 0.00 0.00 51.96 52.92 2eio s ALA 22 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2eio s ALA 22 CO 0.00 -0.66 -0.04 0.42 0.00 0.00 0.00 175.76 175.48 2eio s ILE 23 N -1.52 0.52 -0.37 0.00 1.01 -0.51 -1.77 121.20 118.56 2eio s ILE 23 Ca 0.63 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.04 2eio s ILE 23 Cb -0.29 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2eio s ILE 23 CO 0.36 0.22 0.23 -0.22 0.00 0.00 0.00 174.94 175.53 2eio s LEU 24 N 0.93 4.73 -0.13 2.97 2.96 -0.24 0.39 118.68 130.30 2eio s LEU 24 Ca -0.11 -0.81 -0.15 0.00 -0.22 0.00 0.00 54.13 52.84 2eio s LEU 24 Cb -0.14 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2eio s LEU 24 CO -0.00 -0.36 0.36 -0.69 -1.32 0.00 0.00 176.35 174.34 2eio s VAL 25 N 1.63 5.25 -0.22 1.68 1.01 0.20 -1.02 120.40 128.93 2eio s VAL 25 Ca 0.04 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 2eio s VAL 25 Cb -0.19 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2eio s VAL 25 CO 0.08 0.39 -0.12 -0.62 0.00 0.00 0.00 175.10 174.83 2eio s ASP 26 N 0.32 3.85 -0.23 3.32 -1.08 0.07 -1.27 116.67 121.65 2eio s ASP 26 Ca 0.20 -0.82 -0.19 0.00 -0.52 0.00 0.00 52.55 51.22 2eio s ASP 26 Cb -0.14 -1.58 -0.03 0.00 -1.46 0.00 0.00 42.92 39.72 2eio s ASP 26 CO 0.07 -0.08 0.57 -0.36 0.52 0.00 0.00 175.17 175.90 2eio s PHE 27 N 1.29 3.32 0.27 -5.34 0.08 -0.89 -1.21 117.98 115.51 2eio s PHE 27 Ca 0.01 0.78 0.00 0.00 0.12 0.00 0.00 56.93 57.85 2eio s PHE 27 Cb -0.15 -2.76 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 2eio s PHE 27 CO -0.08 -0.23 0.27 1.67 -0.10 0.00 0.00 175.22 176.75 2eio s TRP 28 N 2.12 1.27 0.18 0.36 1.48 -0.89 -3.51 118.94 119.96 2eio s TRP 28 Ca 0.25 -1.40 -0.22 0.00 -1.06 0.00 0.00 56.10 53.67 2eio s TRP 28 Cb -0.16 -0.46 0.06 0.00 -1.16 0.00 0.00 33.47 31.75 2eio s TRP 28 CO 0.09 -0.83 0.62 0.00 -4.06 0.00 0.00 176.95 172.77 2eio s ALA 29 N -3.72 -1.50 0.23 2.67 0.00 -1.26 -1.77 121.76 116.40 2eio s ALA 29 Ca 0.37 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.66 2eio s ALA 29 Cb 0.03 0.88 0.24 0.00 0.00 0.00 0.00 23.12 24.27 2eio s ALA 29 CO 0.18 -0.82 1.57 1.49 0.00 0.00 0.00 175.76 178.18 2eio h GLU 30 N 2.01 0.36 0.00 0.00 4.57 -2.02 -3.04 114.58 116.46 2eio h GLU 30 Ca -0.31 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2eio h GLU 30 Cb 1.30 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2eio h GLU 30 CO 0.35 0.81 0.00 -2.67 -1.18 0.00 0.00 179.01 176.32 2eio n TRP 31 N -3.94 0.00 -3.27 0.92 4.27 -1.26 -4.60 117.44 109.57 2eio n TRP 31 Ca -0.02 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.13 2eio n TRP 31 Cb 0.58 -0.06 -0.05 0.00 -1.36 0.00 0.00 31.31 30.42 2eio n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2eio h GLY 33 N 9.15 -0.32 0.23 0.00 0.00 -1.88 -2.21 103.07 108.05 2eio h GLY 33 Ca -0.30 0.34 0.18 0.00 0.00 0.00 0.00 47.33 47.54 2eio h GLY 33 CO 1.05 -0.21 0.62 -2.55 0.00 0.00 0.00 176.54 175.44 2eio h PRO 34 N -0.34 0.75 -0.16 4.80 0.11 -1.94 -1.61 132.00 133.60 2eio h PRO 34 Ca 0.10 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.21 2eio h PRO 34 Cb 0.50 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 2eio h PRO 34 CO -0.34 0.50 -0.08 0.00 -0.21 0.00 0.00 178.00 177.87 2eio h LYS 36 N -0.07 0.16 0.01 0.00 1.57 -1.13 -1.20 116.57 115.90 2eio h LYS 36 Ca 0.09 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 2eio h LYS 36 Cb 0.20 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2eio h LYS 36 CO -0.21 0.10 -0.94 0.52 -0.57 0.00 0.00 179.45 178.36 2eio h MET 37 N 0.16 0.02 -0.01 3.15 2.86 -1.05 -3.15 114.93 116.91 2eio h MET 37 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2eio h MET 37 Cb 0.27 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2eio h MET 37 CO -0.02 0.94 -0.26 0.44 1.06 0.00 0.00 176.91 179.07 2eio n ILE 38 N -3.45 0.00 0.43 -1.22 -5.35 -0.71 -4.20 119.36 104.86 2eio n ILE 38 Ca -0.01 -0.09 -0.19 0.00 -0.27 0.00 0.00 62.75 62.19 2eio n ILE 38 Cb 0.88 0.26 -0.09 0.00 -1.74 0.00 0.00 39.64 38.95 2eio n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2eio h ALA 39 N 3.56 -1.09 -0.38 -1.28 0.00 -1.20 -1.97 119.26 116.90 2eio h ALA 39 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.78 2eio h ALA 39 Cb 0.48 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2eio h ALA 39 CO 0.00 -1.09 0.41 -1.00 0.00 0.00 0.00 179.25 177.58 2eio h PRO 40 N -1.14 0.00 -0.30 0.00 0.13 -1.73 0.36 132.00 129.32 2eio h PRO 40 Ca -0.11 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.84 2eio h PRO 40 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2eio h PRO 40 CO 0.18 0.00 -0.50 0.82 -0.23 0.00 0.00 178.00 178.27 2eio h ILE 41 N 0.00 1.28 0.00 -3.56 2.04 -1.66 -2.71 117.51 112.89 2eio h ILE 41 Ca 0.18 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 2eio h ILE 41 Cb 1.01 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2eio h ILE 41 CO -0.00 0.55 -0.18 -0.07 0.00 0.00 0.00 178.15 178.45 2eio h LEU 42 N 0.66 0.00 -0.04 1.44 3.38 0.45 -2.06 115.31 119.15 2eio h LEU 42 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2eio h LEU 42 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2eio h LEU 42 CO 0.11 0.18 -0.00 0.44 0.09 0.00 0.00 178.44 179.26 2eio h ASP 43 N 0.00 0.07 0.19 -0.43 3.45 -1.13 -1.70 116.42 116.87 2eio h ASP 43 Ca -0.00 -0.34 0.00 0.00 0.43 0.00 0.00 57.03 57.12 2eio h ASP 43 Cb 0.45 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 2eio h ASP 43 CO 0.02 0.40 -0.17 -0.33 -1.57 0.00 0.00 179.24 177.59 2eio h GLU 44 N -0.26 -0.38 -0.87 3.56 5.08 -1.18 -2.88 114.58 117.65 2eio h GLU 44 Ca 0.01 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2eio h GLU 44 Cb 0.36 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2eio h GLU 44 CO 0.00 -0.25 0.56 0.82 -1.00 0.00 0.00 179.01 179.14 2eio h ILE 45 N -0.39 1.12 -0.64 3.13 1.08 -1.44 -1.77 117.51 118.60 2eio h ILE 45 Ca -0.00 -0.37 0.09 0.00 -0.39 0.00 0.00 64.86 64.19 2eio h ILE 45 Cb 0.36 -0.05 -0.07 0.00 -3.07 0.00 0.00 36.82 33.99 2eio h ILE 45 CO -0.03 0.20 0.27 0.00 -0.69 0.00 0.00 178.15 177.90 2eio h ALA 46 N 1.37 0.84 0.00 1.87 0.00 -1.10 0.18 119.26 122.43 2eio h ALA 46 Ca 0.36 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 2eio h ALA 46 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2eio h ALA 46 CO -0.13 -0.14 -1.00 -0.44 0.00 0.00 0.00 179.25 177.54 2eio h ASP 47 N 0.48 0.00 1.03 0.00 3.32 -1.37 -2.71 116.42 117.17 2eio h ASP 47 Ca 0.32 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 2eio h ASP 47 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2eio h ASP 47 CO -0.28 0.84 -0.70 -0.08 -1.72 0.00 0.00 179.24 177.29 2eio h GLU 48 N 0.00 0.00 -0.23 3.56 4.81 -0.95 -3.23 114.58 118.54 2eio h GLU 48 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2eio h GLU 48 Cb 1.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.07 2eio h GLU 48 CO 0.10 0.70 0.00 0.66 -0.73 0.00 0.00 179.01 179.74 2eio n TYR 49 N -3.43 0.79 -1.81 0.92 4.02 0.58 -4.98 117.16 113.25 2eio n TYR 49 Ca 0.00 -0.86 -0.42 0.00 -0.01 0.00 0.00 57.90 56.61 2eio n TYR 49 Cb 0.76 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 2eio n TYR 49 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2eio s GLN 50 N -2.67 3.86 0.00 -0.72 0.74 -1.02 -1.18 119.66 118.68 2eio s GLN 50 Ca 0.39 2.21 0.00 0.00 0.05 0.00 0.00 55.36 58.01 2eio s GLN 50 Cb 0.31 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 30.27 2eio s GLN 50 CO 0.09 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 173.99 2eio n GLY 51 N 4.75 0.59 0.00 2.59 0.00 -1.26 -4.83 105.19 107.03 2eio n GLY 51 Ca 0.21 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2eio n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eio n LYS 52 N 0.00 1.45 -3.72 1.61 5.02 -0.65 -5.03 118.16 116.84 2eio n LYS 52 Ca 0.00 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 2eio n LYS 52 Cb 0.00 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 33.86 2eio n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2eio s LEU 53 N -3.14 0.36 -0.13 -0.35 2.96 -0.32 -4.14 118.68 113.93 2eio s LEU 53 Ca -0.01 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 2eio s LEU 53 Cb 0.04 1.52 -0.03 0.00 0.50 0.00 0.00 46.19 48.22 2eio s LEU 53 CO 0.26 -0.23 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.12 2eio s THR 54 N -0.12 3.77 -0.21 3.68 2.01 -0.73 -4.33 115.64 119.72 2eio s THR 54 Ca -0.03 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 2eio s THR 54 Cb -0.03 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 2eio s THR 54 CO 0.02 0.53 0.13 -0.69 -0.69 0.00 0.00 174.62 173.92 2eio s VAL 55 N -0.02 5.25 -0.01 3.82 1.01 -1.26 -1.08 120.40 128.11 2eio s VAL 55 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2eio s VAL 55 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2eio s VAL 55 CO 0.03 0.40 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 2eio s ALA 56 N 0.68 1.14 -0.06 5.51 0.00 -0.19 -1.68 121.76 127.15 2eio s ALA 56 Ca 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2eio s ALA 56 Cb -0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2eio s ALA 56 CO 0.01 0.27 -0.09 0.15 0.00 0.00 0.00 175.76 176.10 2eio s LYS 57 N -0.25 2.68 -0.17 0.00 1.02 0.03 -0.75 119.74 122.30 2eio s LYS 57 Ca 0.04 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2eio s LYS 57 Cb -0.06 -2.54 0.05 0.00 -0.52 0.00 0.00 37.83 34.76 2eio s LYS 57 CO -0.00 0.65 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.89 2eio s LEU 58 N -0.82 1.48 -0.49 3.17 0.20 -0.35 0.13 118.68 122.00 2eio s LEU 58 Ca 0.12 -0.69 -0.26 0.00 0.69 0.00 0.00 54.13 54.00 2eio s LEU 58 Cb -0.11 -0.81 0.03 0.00 -0.43 0.00 0.00 46.19 44.88 2eio s LEU 58 CO 0.01 -0.22 0.99 0.21 -0.29 0.00 0.00 176.35 177.06 2eio s ASN 59 N 1.70 6.49 0.37 3.68 3.84 -1.26 -2.09 114.94 127.68 2eio s ASN 59 Ca 0.00 0.10 0.27 0.00 0.21 0.00 0.00 52.86 53.44 2eio s ASN 59 Cb -0.16 -2.48 1.31 0.00 -0.55 0.00 0.00 41.25 39.38 2eio s ASN 59 CO -0.07 -1.16 1.81 0.16 -2.79 0.00 0.00 177.10 175.05 2eio h ILE 60 N 6.11 0.00 0.05 -5.21 3.07 -1.54 -0.10 117.51 119.89 2eio h ILE 60 Ca -0.24 -0.13 -0.27 0.00 1.55 0.00 0.00 64.86 65.77 2eio h ILE 60 Cb 1.07 0.81 0.02 0.00 -0.27 0.00 0.00 36.82 38.45 2eio h ILE 60 CO 1.07 0.00 -1.09 0.44 -1.05 0.00 0.00 178.15 177.52 2eio h ASP 61 N 0.00 0.74 0.67 2.16 3.32 -1.92 -2.64 116.42 118.75 2eio h ASP 61 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2eio h ASP 61 Cb 0.17 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2eio h ASP 61 CO 0.00 1.44 -0.45 0.00 -1.72 0.00 0.00 179.24 178.51 2eio n GLN 62 N -3.77 0.07 -3.17 3.56 6.02 -0.91 -4.48 117.38 114.70 2eio n GLN 62 Ca -0.10 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.70 2eio n GLN 62 Cb 0.91 -1.55 -0.06 0.00 1.02 0.00 0.00 30.24 30.57 2eio n GLN 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2eio n ASN 63 N -1.65 -1.06 0.00 1.08 3.02 -0.10 -4.86 115.26 111.69 2eio n ASN 63 Ca 0.05 -2.63 0.10 0.00 -0.03 0.00 0.00 54.58 52.07 2eio n ASN 63 Cb 0.36 0.04 0.49 0.00 -0.61 0.00 0.00 39.78 40.06 2eio n ASN 63 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2eio n PRO 64 N 2.39 0.21 0.03 3.52 -0.04 -1.00 -3.95 135.00 136.17 2eio n PRO 64 Ca 0.24 0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2eio n PRO 64 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2eio n PRO 64 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2eio h GLY 65 N 3.43 0.00 0.51 0.55 0.00 -1.94 -3.41 103.07 102.20 2eio h GLY 65 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2eio h GLY 65 CO 0.00 0.00 -0.08 -0.84 0.00 0.00 0.00 176.54 175.62 2eio h THR 66 N 0.00 0.95 -0.73 4.70 2.02 -1.96 -3.33 112.91 114.57 2eio h THR 66 Ca -0.14 -0.95 0.13 0.00 0.77 0.00 0.00 66.41 66.22 2eio h THR 66 Cb 1.78 1.50 -0.13 0.00 -1.74 0.00 0.00 68.15 69.55 2eio h THR 66 CO 0.09 0.21 -0.28 0.00 0.37 0.00 0.00 175.52 175.90 2eio h ALA 67 N -0.03 0.23 -0.01 6.16 0.00 -1.82 0.19 119.26 123.98 2eio h ALA 67 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2eio h ALA 67 Cb 0.51 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2eio h ALA 67 CO 0.04 -0.55 0.01 -1.00 0.00 0.00 0.00 179.25 177.75 2eio h PRO 68 N -0.07 0.00 0.00 0.00 0.13 -1.80 -1.40 132.00 128.86 2eio h PRO 68 Ca 0.31 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.39 2eio h PRO 68 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 2eio h PRO 68 CO -0.77 0.00 -0.24 0.87 -0.23 0.00 0.00 178.00 177.62 2eio h LYS 69 N 0.00 0.00 -0.26 0.86 1.57 -0.71 -3.06 116.57 114.96 2eio h LYS 69 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2eio h LYS 69 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2eio h LYS 69 CO -0.00 0.24 0.00 0.66 -0.57 0.00 0.00 179.45 179.78 2eio n TYR 70 N -3.75 0.90 -2.64 -1.35 4.02 -0.59 -4.97 117.16 108.79 2eio n TYR 70 Ca -0.01 -0.85 -0.18 0.00 -0.01 0.00 0.00 57.90 56.84 2eio n TYR 70 Cb 0.35 -0.29 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 2eio n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2eio n GLY 71 N -0.45 -0.35 3.58 2.72 0.00 -1.09 -4.96 105.19 104.63 2eio n GLY 71 Ca 0.21 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2eio n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eio s ILE 72 N -2.99 4.68 -0.16 -0.61 1.01 -0.83 -4.93 121.20 117.38 2eio s ILE 72 Ca 0.14 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.32 2eio s ILE 72 Cb -0.06 -4.26 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 2eio s ILE 72 CO 0.17 -0.54 0.60 0.03 0.00 0.00 0.00 174.94 175.20 2eio h ARG 73 N 8.64 0.00 -5.01 2.79 3.08 -1.93 -3.41 114.38 118.54 2eio h ARG 73 Ca -0.25 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.26 2eio h ARG 73 Cb 1.09 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.01 2eio h ARG 73 CO 0.94 0.95 -0.51 0.20 -1.07 0.00 0.00 179.97 180.48 2eio s GLY 74 N -4.35 2.59 0.17 0.04 0.00 -1.26 -5.13 107.32 99.37 2eio s GLY 74 Ca -0.21 -1.32 0.05 0.00 0.00 0.00 0.00 44.72 43.24 2eio s GLY 74 CO 0.64 -1.78 -0.10 -0.26 0.00 0.00 0.00 173.10 171.60 2eio s ILE 75 N -3.24 1.25 0.56 0.90 -4.36 -1.26 -4.33 121.20 110.72 2eio s ILE 75 Ca 0.26 -2.08 -0.18 0.00 -0.26 0.00 0.00 60.65 58.39 2eio s ILE 75 Cb 0.02 -1.95 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 2eio s ILE 75 CO 0.16 -0.67 1.07 -2.84 0.24 0.00 0.00 174.94 172.90 2eio s PRO 76 N -3.74 3.43 -0.01 0.37 0.02 -1.26 -4.85 135.00 128.95 2eio s PRO 76 Ca 0.19 1.33 -0.01 0.00 0.02 0.00 0.00 61.00 62.53 2eio s PRO 76 Cb 0.02 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2eio s PRO 76 CO 0.03 -0.74 0.02 0.99 -0.33 0.00 0.00 177.00 176.97 2eio s THR 77 N -2.20 0.01 -0.09 0.99 2.01 -1.23 -1.63 115.64 113.49 2eio s THR 77 Ca 0.66 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.64 2eio s THR 77 Cb -0.18 -0.06 0.00 0.00 0.01 0.00 0.00 72.50 72.28 2eio s THR 77 CO 0.31 -0.03 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.23 2eio s LEU 78 N -0.08 2.00 -0.11 4.42 1.43 0.16 -2.09 118.68 124.42 2eio s LEU 78 Ca -0.01 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2eio s LEU 78 Cb -0.01 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2eio s LEU 78 CO -0.00 0.13 -0.18 -0.76 0.23 0.00 0.00 176.35 175.77 2eio s LEU 79 N 0.41 1.87 -0.26 1.79 1.02 -0.39 -0.73 118.68 122.39 2eio s LEU 79 Ca -0.18 -0.47 -0.07 0.00 0.02 0.00 0.00 54.13 53.43 2eio s LEU 79 Cb -0.18 -1.19 -0.02 0.00 0.02 0.00 0.00 46.19 44.82 2eio s LEU 79 CO 0.08 0.06 0.07 -0.22 0.02 0.00 0.00 176.35 176.35 2eio s LEU 80 N 0.77 3.48 0.10 1.79 2.96 -0.71 0.62 118.68 127.69 2eio s LEU 80 Ca -0.10 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2eio s LEU 80 Cb -0.16 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2eio s LEU 80 CO 0.01 -0.06 0.21 -0.36 -1.32 0.00 0.00 176.35 174.83 2eio s PHE 81 N 1.59 3.43 -0.29 5.38 0.08 0.16 0.34 117.98 128.67 2eio s PHE 81 Ca 0.06 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.23 2eio s PHE 81 Cb -0.15 -1.69 0.10 0.00 -0.57 0.00 0.00 43.02 40.71 2eio s PHE 81 CO 0.03 0.55 0.13 0.15 -0.10 0.00 0.00 175.22 175.98 2eio s LYS 82 N -2.79 0.25 -0.29 0.44 1.02 -0.37 -1.42 119.74 116.58 2eio s LYS 82 Ca 0.34 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.47 2eio s LYS 82 Cb -0.12 -1.24 0.04 0.00 -0.52 0.00 0.00 37.83 35.99 2eio s LYS 82 CO 0.27 -1.03 0.43 0.27 -0.92 0.00 0.00 175.35 174.37 2eio n ASN 83 N 5.16 -5.97 0.00 2.83 6.94 -1.26 -3.25 115.26 119.72 2eio n ASN 83 Ca -0.05 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 2eio n ASN 83 Cb 0.42 -1.78 0.00 0.00 -2.36 0.00 0.00 39.78 36.06 2eio n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2eio n GLY 84 N 0.34 0.82 3.09 4.83 0.00 -0.55 -5.00 105.19 108.70 2eio n GLY 84 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2eio n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eio s GLU 85 N -0.32 0.60 -0.06 1.61 2.12 -1.20 -4.85 118.70 116.60 2eio s GLU 85 Ca 0.00 -0.96 -0.30 0.00 0.36 0.00 0.00 54.97 54.08 2eio s GLU 85 Cb 0.00 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.20 2eio s GLU 85 CO 0.00 -0.00 1.19 0.08 -0.54 0.00 0.00 175.26 175.99 2eio s VAL 86 N -2.32 4.28 -0.26 3.70 1.01 -1.26 -1.23 120.40 124.32 2eio s VAL 86 Ca -0.03 1.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 2eio s VAL 86 Cb -0.04 -4.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.16 2eio s VAL 86 CO -0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 175.10 174.81 2eio n ALA 87 N 5.23 1.40 -2.89 5.51 0.00 0.15 -4.94 120.51 124.97 2eio n ALA 87 Ca 0.11 -1.07 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 2eio n ALA 87 Cb 0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 2eio n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2eio s ALA 88 N -2.50 -0.73 0.03 0.00 0.00 -1.22 -5.02 121.76 112.32 2eio s ALA 88 Ca -0.35 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2eio s ALA 88 Cb 0.10 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2eio s ALA 88 CO 0.55 -0.61 -0.11 0.99 0.00 0.00 0.00 175.76 176.58 2eio s THR 89 N -3.82 0.83 -0.02 0.00 2.01 -1.26 -1.74 115.64 111.63 2eio s THR 89 Ca 0.04 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.16 2eio s THR 89 Cb 0.03 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.77 2eio s THR 89 CO -0.11 -0.08 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.18 2eio s LYS 90 N -1.08 0.36 0.13 4.92 -0.14 0.10 -4.99 119.74 119.03 2eio s LYS 90 Ca -0.02 -0.00 0.09 0.00 -1.36 0.00 0.00 55.97 54.68 2eio s LYS 90 Cb -0.07 -0.46 -0.04 0.00 -1.68 0.00 0.00 37.83 35.57 2eio s LYS 90 CO 0.01 -0.07 -0.21 0.08 -0.76 0.00 0.00 175.35 174.40 2eio s VAL 91 N 0.70 1.84 0.14 3.17 1.01 -1.26 0.38 120.40 126.37 2eio s VAL 91 Ca -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.21 2eio s VAL 91 Cb -0.10 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2eio s VAL 91 CO -0.01 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.58 2eio n GLY 92 N 0.81 -2.03 3.62 4.51 0.00 -0.65 -4.90 105.19 106.55 2eio n GLY 92 Ca -0.17 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 2eio n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eio n ALA 93 N -2.49 0.11 -3.51 4.61 0.00 -1.26 -4.81 120.51 113.16 2eio n ALA 93 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 2eio n ALA 93 Cb 0.21 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 2eio n ALA 93 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2eio s LEU 94 N -2.27 0.15 0.41 0.00 2.34 -1.26 -5.15 118.68 112.91 2eio s LEU 94 Ca 0.76 -0.96 0.07 0.00 0.06 0.00 0.00 54.13 54.06 2eio s LEU 94 Cb -0.40 2.31 -0.04 0.00 -0.56 0.00 0.00 46.19 47.49 2eio s LEU 94 CO 0.47 -1.37 0.23 -0.94 -1.06 0.00 0.00 176.35 173.67 2eio s SER 95 N -3.03 4.57 0.19 1.48 1.04 -1.26 -4.83 113.70 111.86 2eio s SER 95 Ca 0.18 -1.00 -0.12 0.00 0.48 0.00 0.00 55.95 55.49 2eio s SER 95 Cb -0.03 -0.50 0.11 0.00 0.10 0.00 0.00 66.02 65.70 2eio s SER 95 CO 0.11 -0.57 1.86 0.50 0.98 0.00 0.00 173.24 176.11 2eio h LYS 96 N 1.33 0.86 -0.28 4.02 3.64 -1.99 0.24 116.57 124.41 2eio h LYS 96 Ca -0.42 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2eio h LYS 96 Cb 1.26 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2eio h LYS 96 CO 0.67 0.58 0.16 0.78 -2.27 0.00 0.00 179.45 179.37 2eio h GLY 97 N 0.89 0.41 0.66 5.01 0.00 -1.98 0.11 103.07 108.16 2eio h GLY 97 Ca 0.24 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.44 2eio h GLY 97 CO -0.05 0.17 0.20 1.46 0.00 0.00 0.00 176.54 178.32 2eio h GLN 98 N 0.34 0.38 -0.29 4.80 4.20 -1.80 -0.03 115.11 122.71 2eio h GLN 98 Ca 0.10 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2eio h GLN 98 Cb 0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2eio h GLN 98 CO -0.02 0.25 -0.20 1.25 -0.67 0.00 0.00 178.83 179.45 2eio h LEU 99 N 0.39 0.53 -0.74 1.46 5.85 -0.60 -1.16 115.31 121.04 2eio h LEU 99 Ca 0.21 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2eio h LEU 99 Cb 0.17 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2eio h LEU 99 CO -0.18 0.73 -0.36 0.11 -0.34 0.00 0.00 178.44 178.40 2eio h LYS 100 N 0.48 0.55 -0.44 1.25 1.57 0.01 0.21 116.57 120.19 2eio h LYS 100 Ca 0.08 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 2eio h LYS 100 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2eio h LYS 100 CO 0.04 0.83 -0.25 0.00 -0.57 0.00 0.00 179.45 179.50 2eio h PHE 102 N 0.78 0.28 0.18 0.00 3.04 -0.85 -1.62 116.94 118.76 2eio h PHE 102 Ca 0.09 -0.03 -0.30 0.00 3.98 0.00 0.00 57.97 61.71 2eio h PHE 102 Cb 0.83 -0.08 0.02 0.00 2.56 0.00 0.00 35.95 39.28 2eio h PHE 102 CO 0.06 0.38 -1.34 -0.07 -2.02 0.00 0.00 178.31 175.32 2eio h LEU 103 N 0.26 0.61 -1.38 0.59 3.38 -0.56 -2.99 115.31 115.23 2eio h LEU 103 Ca 0.05 -0.65 -0.07 0.00 0.09 0.00 0.00 57.88 57.31 2eio h LEU 103 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2eio h LEU 103 CO 0.02 1.51 -0.31 0.44 0.09 0.00 0.00 178.44 180.18 2eio h ASP 104 N 0.11 0.00 0.82 -0.43 3.32 -0.30 0.13 116.42 120.05 2eio h ASP 104 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2eio h ASP 104 Cb 2.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.60 2eio h ASP 104 CO 0.24 0.31 -0.28 0.00 -1.72 0.00 0.00 179.24 177.79 2eio n ALA 105 N -2.45 2.90 0.00 3.45 0.00 -0.64 -4.28 120.51 119.50 2eio n ALA 105 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2eio n ALA 105 Cb 0.36 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2eio n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2eio n ASN 106 N -1.63 0.39 -4.89 0.00 3.02 -0.96 -5.04 115.26 106.15 2eio n ASN 106 Ca 0.06 -0.35 -0.32 0.00 -0.03 0.00 0.00 54.58 53.94 2eio n ASN 106 Cb 0.36 0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 40.25 2eio n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2eio s LEU 107 N -1.62 4.27 0.00 3.41 1.43 -0.01 -5.06 118.68 121.10 2eio s LEU 107 Ca 0.00 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2eio s LEU 107 Cb 0.00 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.93 2eio s LEU 107 CO 0.00 0.06 0.45 0.00 0.23 0.00 0.00 176.35 177.09