#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 0.04 -2.26 -0.67 4.01 -1.26 -4.82 118.16 113.19 2eio n LYS 3 Ca 0.00 0.30 -0.41 0.00 -0.51 0.00 0.00 58.31 57.69 2eio n LYS 3 Cb 0.00 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 32.99 2eio n LYS 3 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2eio s ILE 4 N -2.89 3.09 -0.01 -0.18 1.01 -1.26 -4.57 121.20 116.40 2eio s ILE 4 Ca 0.06 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.77 2eio s ILE 4 Cb 0.06 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2eio s ILE 4 CO 0.17 0.23 0.01 -0.63 0.00 0.00 0.00 174.94 174.71 2eio s ILE 5 N -0.86 4.23 -0.30 2.92 -1.09 -0.52 -4.99 121.20 120.59 2eio s ILE 5 Ca 0.49 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 2eio s ILE 5 Cb -0.36 -2.88 0.04 0.00 -1.58 0.00 0.00 42.46 37.68 2eio s ILE 5 CO 0.46 0.40 0.00 -1.00 -1.23 0.00 0.00 174.94 173.56 2eio s HIS 6 N -1.08 3.23 0.84 3.97 3.76 -1.26 0.36 115.29 125.11 2eio s HIS 6 Ca 0.19 -1.75 -0.11 0.00 -0.15 0.00 0.00 55.06 53.24 2eio s HIS 6 Cb -0.12 -2.12 0.13 0.00 1.11 0.00 0.00 32.58 31.59 2eio s HIS 6 CO 0.10 -0.78 1.18 -0.51 -0.85 0.00 0.00 174.74 173.88 2eio s LEU 7 N 1.29 2.71 0.16 0.89 1.43 0.10 -4.96 118.68 120.30 2eio s LEU 7 Ca -0.04 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 2eio s LEU 7 Cb -0.19 -2.68 -0.00 0.00 0.03 0.00 0.00 46.19 43.34 2eio s LEU 7 CO -0.01 -2.18 0.29 0.42 0.23 0.00 0.00 176.35 175.10 2eio s THR 8 N -3.59 0.07 0.58 5.49 -4.23 -1.26 -4.65 115.64 108.05 2eio s THR 8 Ca 0.67 -1.31 0.29 0.00 -1.18 0.00 0.00 61.69 60.16 2eio s THR 8 Cb -0.07 -1.76 0.40 0.00 1.34 0.00 0.00 72.50 72.40 2eio s THR 8 CO 0.49 -0.32 1.90 0.44 -0.54 0.00 0.00 174.62 176.59 2eio h ASP 9 N 2.54 0.00 0.00 3.99 3.32 -1.93 -2.48 116.42 121.85 2eio h ASP 9 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2eio h ASP 9 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2eio h ASP 9 CO 0.48 0.00 -0.62 0.47 -1.72 0.00 0.00 179.24 177.85 2eio n ASP 10 N -3.83 1.55 -0.20 6.45 9.92 -1.26 -4.32 116.55 124.86 2eio n ASP 10 Ca 0.10 0.43 0.30 0.00 -0.53 0.00 0.00 54.79 55.08 2eio n ASP 10 Cb 0.70 -0.76 0.58 0.00 -0.64 0.00 0.00 41.12 41.00 2eio n ASP 10 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2eio h SER 11 N -0.83 0.00 -0.59 -2.24 4.64 -1.95 -1.54 113.55 111.04 2eio h SER 11 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2eio h SER 11 Cb 0.62 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.59 2eio h SER 11 CO 0.00 0.00 -0.22 0.15 -0.87 0.00 0.00 176.83 175.89 2eio h PHE 12 N 0.00 -0.55 -0.88 4.77 3.57 -1.63 1.03 116.94 123.24 2eio h PHE 12 Ca 0.48 0.06 0.05 0.00 3.53 0.00 0.00 57.97 62.08 2eio h PHE 12 Cb 2.55 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 41.57 2eio h PHE 12 CO 0.00 -0.32 0.58 0.22 -2.23 0.00 0.00 178.31 176.56 2eio h ASP 13 N -0.08 0.92 0.00 0.41 1.82 -1.54 0.39 116.42 118.34 2eio h ASP 13 Ca 0.27 -0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.78 2eio h ASP 13 Cb 0.50 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 2eio h ASP 13 CO -0.65 0.61 -0.73 0.74 -1.61 0.00 0.00 179.24 177.61 2eio h THR 14 N 1.05 1.17 -0.16 2.25 2.02 -1.45 -1.44 112.91 116.35 2eio h THR 14 Ca 0.36 -2.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 2eio h THR 14 Cb 0.10 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2eio h THR 14 CO -0.12 0.40 0.08 0.44 0.37 0.00 0.00 175.52 176.69 2eio h ASP 15 N -1.00 0.19 0.00 4.18 3.45 0.11 -3.01 116.42 120.34 2eio h ASP 15 Ca -0.20 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.25 2eio h ASP 15 Cb 1.12 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 2eio h ASP 15 CO -0.12 0.17 -0.02 0.52 -1.57 0.00 0.00 179.24 178.22 2eio n VAL 16 N -4.48 0.77 -0.19 -1.35 0.31 0.13 -4.24 118.33 109.28 2eio n VAL 16 Ca -0.01 0.25 0.25 0.00 -0.01 0.00 0.00 64.34 64.83 2eio n VAL 16 Cb 0.10 -1.39 0.65 0.00 -0.91 0.00 0.00 33.84 32.29 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 -0.02 0.15 -0.41 7.52 3.38 -1.37 -0.78 115.31 123.78 2eio h LEU 17 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2eio h LEU 17 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2eio h LEU 17 CO 0.00 0.05 -0.43 0.29 0.09 0.00 0.00 178.44 178.44 2eio n LYS 18 N -4.37 2.38 -1.39 1.13 5.02 -0.55 -3.72 118.16 116.67 2eio n LYS 18 Ca 0.19 -0.36 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 2eio n LYS 18 Cb 0.85 -1.13 0.05 0.00 -0.02 0.00 0.00 35.03 34.78 2eio n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eio n ALA 19 N -0.74 -1.15 -2.68 7.82 0.00 -0.30 -4.96 120.51 118.50 2eio n ALA 19 Ca 0.04 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 2eio n ALA 19 Cb 0.24 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 2eio n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2eio s ASP 20 N -1.33 6.59 0.00 0.00 -1.08 -1.26 -4.58 116.67 115.00 2eio s ASP 20 Ca 0.68 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 53.41 2eio s ASP 20 Cb -0.39 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 2eio s ASP 20 CO 0.55 0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.99 2eio n GLY 21 N 2.91 -2.21 3.75 2.66 0.00 -1.26 -4.90 105.19 106.14 2eio n GLY 21 Ca -0.12 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.00 3.35 -0.06 4.61 0.00 -1.26 -3.85 121.76 123.55 2eio s ALA 22 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 2eio s ALA 22 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.90 2eio s ALA 22 CO 0.00 0.04 0.11 -1.50 0.00 0.00 0.00 175.76 174.42 2eio s ILE 23 N -0.92 -0.13 -0.27 0.00 2.07 0.61 -2.41 121.20 120.15 2eio s ILE 23 Ca 0.44 0.29 -0.17 0.00 -1.41 0.00 0.00 60.65 59.80 2eio s ILE 23 Cb -0.27 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 2eio s ILE 23 CO 0.34 0.12 0.46 -0.22 -1.91 0.00 0.00 174.94 173.73 2eio s LEU 24 N 1.70 4.08 -0.16 8.50 2.96 0.15 -0.61 118.68 135.29 2eio s LEU 24 Ca -0.03 0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2eio s LEU 24 Cb -0.12 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2eio s LEU 24 CO -0.05 -0.27 0.04 -0.69 -1.32 0.00 0.00 176.35 174.07 2eio s VAL 25 N 2.22 4.61 -0.18 1.68 1.01 0.63 -0.11 120.40 130.27 2eio s VAL 25 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2eio s VAL 25 Cb -0.16 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 2eio s VAL 25 CO 0.10 0.49 -0.12 -0.62 0.00 0.00 0.00 175.10 174.95 2eio s ASP 26 N 0.17 3.83 -0.20 3.32 3.68 0.08 -1.57 116.67 125.98 2eio s ASP 26 Ca 0.03 -0.45 -0.16 0.00 2.13 0.00 0.00 52.55 54.11 2eio s ASP 26 Cb -0.13 -1.61 -0.04 0.00 -1.45 0.00 0.00 42.92 39.69 2eio s ASP 26 CO 0.01 0.05 0.38 -0.36 0.13 0.00 0.00 175.17 175.38 2eio s PHE 27 N 1.03 3.38 0.26 -5.34 0.08 -1.13 -1.08 117.98 115.18 2eio s PHE 27 Ca -0.01 0.61 -0.02 0.00 0.12 0.00 0.00 56.93 57.63 2eio s PHE 27 Cb -0.15 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2eio s PHE 27 CO -0.02 0.01 0.29 1.67 -0.10 0.00 0.00 175.22 177.07 2eio s TRP 28 N 1.23 1.09 -0.06 0.36 1.48 -1.02 -4.01 118.94 118.00 2eio s TRP 28 Ca 0.19 -1.28 -0.12 0.00 -1.06 0.00 0.00 56.10 53.82 2eio s TRP 28 Cb -0.15 -0.35 0.02 0.00 -1.16 0.00 0.00 33.47 31.84 2eio s TRP 28 CO 0.08 -0.84 0.29 0.00 -4.06 0.00 0.00 176.95 172.41 2eio s ALA 29 N -3.80 -0.72 0.97 2.67 0.00 -1.26 -1.27 121.76 118.35 2eio s ALA 29 Ca 0.34 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2eio s ALA 29 Cb 0.03 -0.21 0.17 0.00 0.00 0.00 0.00 23.12 23.11 2eio s ALA 29 CO 0.16 -0.20 1.05 -1.91 0.00 0.00 0.00 175.76 174.86 2eio n GLU 30 N 2.12 -0.83 -0.90 0.00 0.00 -1.26 -2.49 120.64 117.29 2eio n GLU 30 Ca -0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 57.16 56.80 2eio n GLU 30 Cb 0.57 -2.29 -0.00 0.00 0.00 0.00 0.00 31.44 29.71 2eio n GLU 30 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 2eio n TRP 31 N -4.35 -0.01 -3.14 4.31 7.02 -1.26 -4.92 117.44 115.10 2eio n TRP 31 Ca 0.10 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.15 2eio n TRP 31 Cb 0.53 -1.86 -0.07 0.00 -2.42 0.00 0.00 31.31 27.48 2eio n TRP 31 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2eio h GLY 33 N 9.54 -1.29 -0.78 0.00 0.00 -1.91 -1.35 103.07 107.29 2eio h GLY 33 Ca -0.26 0.57 0.23 0.00 0.00 0.00 0.00 47.33 47.87 2eio h GLY 33 CO 0.86 -0.47 -0.02 -2.55 0.00 0.00 0.00 176.54 174.36 2eio h PRO 34 N -0.06 0.04 -0.36 4.80 0.11 -1.94 0.58 132.00 135.16 2eio h PRO 34 Ca 0.00 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2eio h PRO 34 Cb 0.06 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.11 2eio h PRO 34 CO -0.03 0.02 0.05 0.00 -0.21 0.00 0.00 178.00 177.83 2eio h LYS 36 N 0.16 0.79 0.16 0.00 1.79 0.12 -1.14 116.57 118.46 2eio h LYS 36 Ca 0.17 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2eio h LYS 36 Cb 0.21 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2eio h LYS 36 CO -0.25 0.52 -0.08 0.52 -1.08 0.00 0.00 179.45 179.09 2eio h MET 37 N 0.82 -0.21 -0.00 3.15 2.86 0.79 -3.14 114.93 119.20 2eio h MET 37 Ca 0.35 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2eio h MET 37 Cb 0.30 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2eio h MET 37 CO -0.13 0.03 -0.07 0.44 1.06 0.00 0.00 176.91 178.24 2eio n ILE 38 N -5.09 0.00 0.13 -1.22 -5.35 -0.69 -3.99 119.36 103.15 2eio n ILE 38 Ca -0.09 -0.04 -0.14 0.00 -0.27 0.00 0.00 62.75 62.21 2eio n ILE 38 Cb 0.19 -0.23 -0.08 0.00 -1.74 0.00 0.00 39.64 37.78 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 3.59 -0.26 0.00 -1.28 0.00 -1.16 0.15 119.26 120.30 2eio h ALA 39 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2eio h ALA 39 Cb 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2eio h ALA 39 CO 0.00 -0.63 -0.18 -1.00 0.00 0.00 0.00 179.25 177.43 2eio h PRO 40 N -0.30 0.00 -0.02 0.00 0.13 -1.71 -2.14 132.00 127.95 2eio h PRO 40 Ca -0.03 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.90 2eio h PRO 40 Cb 0.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 2eio h PRO 40 CO 0.04 0.18 -0.84 0.82 -0.23 0.00 0.00 178.00 177.98 2eio h ILE 41 N 0.00 1.43 -0.25 -3.56 2.04 -1.63 -2.75 117.51 112.79 2eio h ILE 41 Ca -0.00 -2.40 -0.09 0.00 1.00 0.00 0.00 64.86 63.37 2eio h ILE 41 Cb 0.51 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2eio h ILE 41 CO 0.02 0.71 -0.24 -0.07 0.00 0.00 0.00 178.15 178.57 2eio h LEU 42 N 0.20 0.48 -0.99 1.44 3.38 -0.26 -0.55 115.31 119.00 2eio h LEU 42 Ca -0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2eio h LEU 42 Cb 1.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2eio h LEU 42 CO 0.14 0.72 0.08 0.44 0.09 0.00 0.00 178.44 179.91 2eio h ASP 43 N 0.43 0.76 0.51 -0.43 3.45 -1.27 -0.06 116.42 119.81 2eio h ASP 43 Ca 0.06 -0.15 -0.17 0.00 0.43 0.00 0.00 57.03 57.21 2eio h ASP 43 Cb 0.65 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 2eio h ASP 43 CO 0.05 0.78 -0.73 -0.33 -1.57 0.00 0.00 179.24 177.44 2eio h GLU 44 N 0.77 0.17 -0.34 3.56 5.08 -1.11 -3.13 114.58 119.58 2eio h GLU 44 Ca 0.16 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2eio h GLU 44 Cb 0.35 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2eio h GLU 44 CO 0.01 0.83 -0.34 0.82 -1.00 0.00 0.00 179.01 179.32 2eio h ILE 45 N 0.12 1.29 -0.63 3.13 1.08 -0.65 -1.23 117.51 120.62 2eio h ILE 45 Ca -0.02 -1.51 0.16 0.00 -0.39 0.00 0.00 64.86 63.09 2eio h ILE 45 Cb 1.29 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 36.48 2eio h ILE 45 CO 0.11 0.50 0.44 0.00 -0.69 0.00 0.00 178.15 178.50 2eio h ALA 46 N 0.74 2.39 0.02 1.87 0.00 -0.96 -0.64 119.26 122.67 2eio h ALA 46 Ca 0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 2eio h ALA 46 Cb 0.93 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2eio h ALA 46 CO 0.08 -0.56 -1.45 -0.25 0.00 0.00 0.00 179.25 177.08 2eio n ASP 47 N -4.41 1.90 0.23 0.00 8.00 -1.11 -3.25 116.55 117.92 2eio n ASP 47 Ca 0.12 0.38 0.11 0.00 0.71 0.00 0.00 54.79 56.12 2eio n ASP 47 Cb 0.60 -0.94 0.71 0.00 -0.02 0.00 0.00 41.12 41.47 2eio n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2eio h GLU 48 N -0.84 0.00 -0.46 -1.24 5.08 -1.00 -0.71 114.58 115.41 2eio h GLU 48 Ca -0.38 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.81 2eio h GLU 48 Cb 1.43 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.58 2eio h GLU 48 CO -0.18 0.00 0.09 0.66 -1.00 0.00 0.00 179.01 178.58 2eio n TYR 49 N -4.34 1.50 -1.60 4.33 4.02 -0.27 -5.03 117.16 115.77 2eio n TYR 49 Ca -0.01 -1.34 -0.42 0.00 -0.01 0.00 0.00 57.90 56.12 2eio n TYR 49 Cb 0.16 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 2eio n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2eio n GLN 50 N -0.77 1.37 0.00 -0.72 -0.06 -0.28 -1.03 117.38 115.90 2eio n GLN 50 Ca 0.34 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.83 2eio n GLN 50 Cb 1.12 -1.98 0.00 0.00 -4.06 0.00 0.00 30.24 25.33 2eio n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2eio n GLY 51 N 1.19 2.35 0.06 1.69 0.00 -1.26 -4.61 105.19 104.61 2eio n GLY 51 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 2eio n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eio n LYS 52 N -1.82 0.43 -4.66 1.61 3.00 -0.75 -5.02 118.16 110.95 2eio n LYS 52 Ca 0.00 0.07 -0.23 0.00 -0.00 0.00 0.00 58.31 58.15 2eio n LYS 52 Cb 0.00 -1.25 -0.15 0.00 0.00 0.00 0.00 35.03 33.64 2eio n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2eio s LEU 53 N -5.66 2.06 -0.12 3.14 2.96 -0.20 -4.25 118.68 116.61 2eio s LEU 53 Ca -0.16 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2eio s LEU 53 Cb 0.04 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 2eio s LEU 53 CO 0.29 0.16 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.55 2eio s THR 54 N -0.47 3.82 -0.39 3.68 2.01 -1.01 -4.56 115.64 118.72 2eio s THR 54 Ca 0.05 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 2eio s THR 54 Cb -0.06 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.83 2eio s THR 54 CO -0.00 0.53 0.27 -0.69 -0.69 0.00 0.00 174.62 174.05 2eio s VAL 55 N -0.08 5.12 -0.08 3.82 1.01 -1.26 0.31 120.40 129.24 2eio s VAL 55 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2eio s VAL 55 Cb -0.13 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2eio s VAL 55 CO 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 175.10 174.85 2eio s ALA 56 N 1.66 3.14 -0.09 5.51 0.00 0.84 -1.43 121.76 131.38 2eio s ALA 56 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2eio s ALA 56 Cb -0.19 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2eio s ALA 56 CO 0.09 0.55 -0.09 0.15 0.00 0.00 0.00 175.76 176.46 2eio s LYS 57 N -0.74 3.02 -0.21 0.00 -0.14 0.16 -0.74 119.74 121.09 2eio s LYS 57 Ca 0.11 -0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 54.11 2eio s LYS 57 Cb -0.11 -2.62 0.06 0.00 -1.68 0.00 0.00 37.83 33.47 2eio s LYS 57 CO 0.02 0.48 0.01 -1.17 -0.76 0.00 0.00 175.35 173.93 2eio s LEU 58 N -0.32 1.64 -0.37 3.17 2.96 -0.24 -0.72 118.68 124.81 2eio s LEU 58 Ca 0.04 -0.96 -0.29 0.00 -0.22 0.00 0.00 54.13 52.70 2eio s LEU 58 Cb -0.13 -0.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 2eio s LEU 58 CO 0.02 -0.29 1.54 0.21 -1.32 0.00 0.00 176.35 176.51 2eio s ASN 59 N 1.71 6.22 0.50 3.68 3.84 -1.26 -2.42 114.94 127.20 2eio s ASN 59 Ca -0.02 1.03 0.20 0.00 0.21 0.00 0.00 52.86 54.28 2eio s ASN 59 Cb -0.18 -2.54 1.28 0.00 -0.55 0.00 0.00 41.25 39.27 2eio s ASN 59 CO -0.08 -1.49 2.09 0.16 -2.79 0.00 0.00 177.10 174.98 2eio h ILE 60 N 6.53 0.90 0.16 -5.21 3.07 -1.32 -1.25 117.51 120.38 2eio h ILE 60 Ca -0.30 -0.37 -0.01 0.00 1.55 0.00 0.00 64.86 65.74 2eio h ILE 60 Cb 1.13 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 2eio h ILE 60 CO 1.06 0.10 -0.07 0.44 -1.05 0.00 0.00 178.15 178.63 2eio h ASP 61 N 0.00 -0.18 0.09 2.16 3.32 -1.91 -2.09 116.42 117.82 2eio h ASP 61 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2eio h ASP 61 Cb 0.20 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2eio h ASP 61 CO 0.01 -0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.44 2eio n GLN 62 N -2.74 0.17 -3.28 3.56 6.02 -1.22 -3.42 117.38 116.47 2eio n GLN 62 Ca -0.03 0.13 -0.20 0.00 -0.01 0.00 0.00 57.00 56.89 2eio n GLN 62 Cb 0.08 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.77 2eio n GLN 62 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2eio s ASN 63 N -2.35 1.01 0.00 1.08 0.01 -0.47 -4.82 114.94 109.39 2eio s ASN 63 Ca 0.10 -2.33 0.26 0.00 -0.71 0.00 0.00 52.86 50.17 2eio s ASN 63 Cb 0.06 0.26 0.69 0.00 0.41 0.00 0.00 41.25 42.66 2eio s ASN 63 CO 0.11 -0.19 1.54 -0.81 -1.51 0.00 0.00 177.10 176.25 2eio n PRO 64 N 3.37 1.95 -0.07 -0.60 -0.04 -0.80 -4.04 135.00 134.77 2eio n PRO 64 Ca 0.21 -1.38 -0.04 0.00 -0.04 0.00 0.00 63.50 62.25 2eio n PRO 64 Cb 0.47 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 2eio n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eio n GLY 65 N 1.25 -0.94 0.16 0.55 0.00 -1.26 -4.45 105.19 100.50 2eio n GLY 65 Ca 0.17 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 2eio n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eio h THR 66 N 0.00 1.33 -0.28 2.61 1.03 -1.90 -3.28 112.91 112.41 2eio h THR 66 Ca -0.37 -2.44 0.04 0.00 -0.01 0.00 0.00 66.41 63.63 2eio h THR 66 Cb 1.82 2.77 -0.04 0.00 -1.07 0.00 0.00 68.15 71.64 2eio h THR 66 CO 0.02 0.73 0.05 0.00 -0.01 0.00 0.00 175.52 176.32 2eio h ALA 67 N 0.25 0.29 -0.20 0.00 0.00 -1.81 -2.80 119.26 114.99 2eio h ALA 67 Ca -0.18 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2eio h ALA 67 Cb 1.83 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2eio h ALA 67 CO 0.22 -0.36 -0.02 -1.35 0.00 0.00 0.00 179.25 177.74 2eio h PRO 68 N 0.16 0.29 -0.71 0.00 0.11 -1.78 -2.79 132.00 127.27 2eio h PRO 68 Ca 0.13 -0.05 0.21 0.00 0.11 0.00 0.00 66.00 66.40 2eio h PRO 68 Cb 0.14 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 2eio h PRO 68 CO -0.17 0.34 0.70 0.87 -0.21 0.00 0.00 178.00 179.53 2eio h LYS 69 N 0.29 0.00 -5.22 1.05 1.57 -1.55 -3.34 116.57 109.37 2eio h LYS 69 Ca 0.07 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.17 2eio h LYS 69 Cb 0.23 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.21 2eio h LYS 69 CO 0.01 0.00 -0.85 0.71 -0.57 0.00 0.00 179.45 178.74 2eio s TYR 70 N -4.65 2.68 0.00 -1.35 1.51 -1.05 -5.01 117.35 109.48 2eio s TYR 70 Ca -0.04 -1.23 -0.08 0.00 -1.01 0.00 0.00 57.07 54.71 2eio s TYR 70 Cb 0.17 -1.82 -0.09 0.00 -0.11 0.00 0.00 41.96 40.11 2eio s TYR 70 CO 0.59 -0.55 0.73 0.41 -1.11 0.00 0.00 175.55 175.61 2eio n GLY 71 N 3.99 0.23 3.35 0.71 0.00 -1.25 -4.79 105.19 107.42 2eio n GLY 71 Ca -0.20 -0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.13 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 3.81 5.40 -1.23 -0.61 1.01 -1.26 -4.96 121.20 123.36 2eio s ILE 72 Ca 0.17 -2.18 -0.11 0.00 0.00 0.00 0.00 60.65 58.53 2eio s ILE 72 Cb 0.04 -4.51 0.18 0.00 0.01 0.00 0.00 42.46 38.18 2eio s ILE 72 CO 0.08 -1.10 1.64 0.54 0.00 0.00 0.00 174.94 176.11 2eio n ARG 73 N 4.61 3.58 0.00 2.79 1.74 -1.26 -4.88 116.66 123.24 2eio n ARG 73 Ca 0.12 -3.77 0.00 0.00 -0.77 0.00 0.00 57.85 53.43 2eio n ARG 73 Cb 0.47 -2.92 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 2eio n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eio n GLY 74 N 3.18 3.30 3.14 -0.13 0.00 -1.26 -5.13 105.19 108.30 2eio n GLY 74 Ca 0.37 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 2eio n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2eio s ILE 75 N -2.51 0.19 0.06 -0.61 -4.36 -1.26 -4.25 121.20 108.45 2eio s ILE 75 Ca 0.00 -1.56 -0.31 0.00 -0.26 0.00 0.00 60.65 58.53 2eio s ILE 75 Cb 0.00 -1.45 -0.06 0.00 1.25 0.00 0.00 42.46 42.19 2eio s ILE 75 CO 0.00 -0.85 1.34 -2.16 0.24 0.00 0.00 174.94 173.50 2eio s PRO 76 N -3.90 4.34 0.11 0.37 0.04 -1.26 -4.93 135.00 129.77 2eio s PRO 76 Ca 0.06 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.15 2eio s PRO 76 Cb 0.07 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2eio s PRO 76 CO -0.10 -0.44 -0.26 0.99 0.04 0.00 0.00 177.00 177.23 2eio s THR 77 N 1.56 2.19 -0.08 1.26 2.01 -1.26 -1.94 115.64 119.37 2eio s THR 77 Ca 0.62 -1.66 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2eio s THR 77 Cb -0.33 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.26 2eio s THR 77 CO 0.28 0.14 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.42 2eio s LEU 78 N -1.87 1.85 -0.12 4.42 1.43 0.11 -2.86 118.68 121.65 2eio s LEU 78 Ca 0.13 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2eio s LEU 78 Cb -0.10 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 2eio s LEU 78 CO 0.05 0.09 -0.14 -0.76 0.23 0.00 0.00 176.35 175.82 2eio s LEU 79 N 0.51 2.66 -0.33 1.79 1.02 -0.61 0.00 118.68 123.72 2eio s LEU 79 Ca -0.16 -0.34 -0.09 0.00 0.02 0.00 0.00 54.13 53.56 2eio s LEU 79 Cb -0.17 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.46 2eio s LEU 79 CO 0.06 0.18 0.15 -0.22 0.02 0.00 0.00 176.35 176.54 2eio s LEU 80 N 0.27 4.23 -0.17 1.79 2.96 0.62 -0.27 118.68 128.11 2eio s LEU 80 Ca -0.10 -0.74 -0.11 0.00 -0.22 0.00 0.00 54.13 52.96 2eio s LEU 80 Cb -0.16 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 2eio s LEU 80 CO 0.06 -0.25 0.20 -0.36 -1.32 0.00 0.00 176.35 174.67 2eio s PHE 81 N 1.56 3.47 -0.29 5.38 0.08 0.22 -0.05 117.98 128.34 2eio s PHE 81 Ca 0.03 0.48 -0.01 0.00 0.12 0.00 0.00 56.93 57.55 2eio s PHE 81 Cb -0.18 -2.20 0.09 0.00 -0.57 0.00 0.00 43.02 40.16 2eio s PHE 81 CO 0.05 0.34 0.07 0.15 -0.10 0.00 0.00 175.22 175.74 2eio s LYS 82 N 0.16 0.81 -0.87 0.44 1.02 -1.10 -0.29 119.74 119.93 2eio s LYS 82 Ca 0.13 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2eio s LYS 82 Cb -0.12 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 2eio s LYS 82 CO 0.02 -0.91 0.00 0.09 -0.92 0.00 0.00 175.35 173.63 2eio n ASN 83 N 4.83 -3.43 0.00 2.83 4.13 -1.25 -3.53 115.26 118.85 2eio n ASN 83 Ca -0.03 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2eio n ASN 83 Cb 0.43 -2.58 0.00 0.00 -1.54 0.00 0.00 39.78 36.09 2eio n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eio n GLY 84 N -1.11 0.83 3.27 7.41 0.00 -1.24 -4.95 105.19 109.41 2eio n GLY 84 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.72 3.05 -0.09 1.61 2.12 -1.23 -4.81 118.70 118.63 2eio s GLU 85 Ca 0.00 -0.83 -0.33 0.00 0.36 0.00 0.00 54.97 54.17 2eio s GLU 85 Cb 0.00 -2.37 -0.11 0.00 0.26 0.00 0.00 34.13 31.91 2eio s GLU 85 CO 0.00 0.23 1.92 0.28 -0.54 0.00 0.00 175.26 177.15 2eio n VAL 86 N 3.40 0.59 -0.05 3.70 0.31 -1.26 -2.69 118.33 122.33 2eio n VAL 86 Ca -0.18 -0.13 -0.22 0.00 -0.01 0.00 0.00 64.34 63.80 2eio n VAL 86 Cb 0.53 -1.95 -0.13 0.00 -0.91 0.00 0.00 33.84 31.37 2eio n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2eio n ALA 87 N 7.07 0.94 -3.10 3.52 0.00 0.92 -4.94 120.51 124.93 2eio n ALA 87 Ca 0.23 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 2eio n ALA 87 Cb 0.31 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.91 0.01 0.00 0.00 -1.15 -5.01 121.76 112.19 2eio s ALA 88 Ca -0.26 0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.91 2eio s ALA 88 Cb 0.07 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 2eio s ALA 88 CO 0.69 -0.46 -0.07 -0.08 0.00 0.00 0.00 175.76 175.84 2eio s THR 89 N -2.64 0.50 -0.11 0.00 -1.32 -1.26 -0.28 115.64 110.53 2eio s THR 89 Ca -0.04 -0.52 -0.00 0.00 -1.21 0.00 0.00 61.69 59.92 2eio s THR 89 Cb -0.00 -0.47 0.02 0.00 -1.51 0.00 0.00 72.50 70.54 2eio s THR 89 CO -0.04 -0.03 -0.07 -0.75 -2.21 0.00 0.00 174.62 171.53 2eio s LYS 90 N -0.60 1.40 0.02 7.08 2.47 0.10 -4.99 119.74 125.22 2eio s LYS 90 Ca -0.01 -0.21 -0.01 0.00 -1.56 0.00 0.00 55.97 54.17 2eio s LYS 90 Cb -0.05 -1.49 -0.04 0.00 -1.46 0.00 0.00 37.83 34.79 2eio s LYS 90 CO 0.00 -0.26 0.18 0.08 0.16 0.00 0.00 175.35 175.51 2eio s VAL 91 N 1.71 5.34 0.00 4.02 1.01 -1.26 0.07 120.40 131.29 2eio s VAL 91 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2eio s VAL 91 Cb -0.13 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2eio s VAL 91 CO -0.07 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2eio n GLY 92 N 0.70 -1.71 3.77 4.51 0.00 -0.82 -4.93 105.19 106.71 2eio n GLY 92 Ca -0.09 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2eio n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eio s ALA 93 N -2.41 3.04 0.08 4.61 0.00 -1.26 -4.84 121.76 120.98 2eio s ALA 93 Ca 0.00 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 2eio s ALA 93 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2eio s ALA 93 CO 0.00 -0.82 0.32 -0.48 0.00 0.00 0.00 175.76 174.79 2eio s LEU 94 N -2.89 0.78 0.75 0.00 2.34 -1.26 -5.15 118.68 113.25 2eio s LEU 94 Ca 0.62 -0.32 -0.10 0.00 0.06 0.00 0.00 54.13 54.40 2eio s LEU 94 Cb -0.34 1.49 0.06 0.00 -0.56 0.00 0.00 46.19 46.85 2eio s LEU 94 CO 0.41 -0.73 1.09 -0.94 -1.06 0.00 0.00 176.35 175.12 2eio s SER 95 N -2.51 4.79 0.12 1.48 1.04 -1.26 -4.81 113.70 112.55 2eio s SER 95 Ca 0.00 0.70 -0.24 0.00 0.48 0.00 0.00 55.95 56.89 2eio s SER 95 Cb 0.01 -1.31 -0.06 0.00 0.10 0.00 0.00 66.02 64.76 2eio s SER 95 CO -0.08 -1.68 1.67 0.50 0.98 0.00 0.00 173.24 174.63 2eio h LYS 96 N -0.79 -0.27 -0.42 4.02 3.11 -1.99 -1.34 116.57 118.90 2eio h LYS 96 Ca -0.45 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.38 2eio h LYS 96 Cb 1.31 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.58 2eio h LYS 96 CO 0.63 -0.18 0.14 0.78 -2.81 0.00 0.00 179.45 178.01 2eio h GLY 97 N -0.28 0.64 1.39 5.01 0.00 -1.99 -1.29 103.07 106.55 2eio h GLY 97 Ca 0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2eio h GLY 97 CO -0.17 0.30 -0.42 1.46 0.00 0.00 0.00 176.54 177.72 2eio h GLN 98 N 0.59 0.67 -0.08 4.80 4.20 -1.84 -1.50 115.11 121.95 2eio h GLN 98 Ca 0.14 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 2eio h GLN 98 Cb 0.17 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2eio h GLN 98 CO -0.01 0.96 -0.44 1.25 -0.67 0.00 0.00 178.83 179.93 2eio h LEU 99 N 0.54 0.20 -0.31 1.46 5.85 -0.75 -2.46 115.31 119.84 2eio h LEU 99 Ca 0.04 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 2eio h LEU 99 Cb 0.95 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2eio h LEU 99 CO 0.09 0.61 -0.21 0.11 -0.34 0.00 0.00 178.44 178.70 2eio h LYS 100 N 0.16 0.69 -0.93 1.25 1.57 -0.89 -0.05 116.57 118.37 2eio h LYS 100 Ca 0.01 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2eio h LYS 100 Cb 0.84 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 2eio h LYS 100 CO 0.07 0.93 0.58 0.00 -0.57 0.00 0.00 179.45 180.46 2eio h PHE 102 N 1.27 -0.47 0.31 0.00 3.04 -1.26 -2.82 116.94 117.02 2eio h PHE 102 Ca 0.34 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.28 2eio h PHE 102 Cb -0.09 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 2eio h PHE 102 CO 0.00 -0.18 -0.32 -0.07 -2.02 0.00 0.00 178.31 175.72 2eio h LEU 103 N -0.70 -0.86 -2.00 0.59 3.38 -0.72 -2.91 115.31 112.09 2eio h LEU 103 Ca -0.05 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.17 2eio h LEU 103 Cb 0.49 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2eio h LEU 103 CO 0.08 -0.45 0.44 0.44 0.09 0.00 0.00 178.44 179.05 2eio h ASP 104 N -0.66 0.00 0.20 -0.43 3.32 -0.94 0.68 116.42 118.58 2eio h ASP 104 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2eio h ASP 104 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2eio h ASP 104 CO -0.07 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.37 2eio n ALA 105 N -2.63 2.75 -0.37 3.45 0.00 -1.06 -4.07 120.51 118.58 2eio n ALA 105 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2eio n ALA 105 Cb 0.68 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.64 0.89 -2.66 0.00 3.02 0.17 -4.82 115.26 111.22 2eio n ASN 106 Ca 0.17 -1.25 -0.34 0.00 -0.03 0.00 0.00 54.58 53.13 2eio n ASN 106 Cb 0.28 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.46 2eio n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2eio n LEU 107 N -0.13 7.09 0.00 3.41 4.77 -0.83 -5.00 117.00 126.32 2eio n LEU 107 Ca 0.00 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 2eio n LEU 107 Cb 0.19 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2eio n LEU 107 CO 0.00 1.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.76