#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myt h ASP 6 N 0.00 0.00 0.36 0.00 5.19 -2.00 -2.98 116.42 116.99 1myt h ASP 6 Ca 0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 1myt h ASP 6 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1myt h ASP 6 CO 0.00 0.00 -1.63 -0.26 -3.12 0.00 0.00 179.24 174.23 1myt h PHE 7 N 0.00 0.51 -0.58 4.55 0.04 -1.95 -3.01 116.94 116.50 1myt h PHE 7 Ca 0.00 -0.37 -0.06 0.00 2.80 0.00 0.00 57.97 60.34 1myt h PHE 7 Cb 0.71 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.81 1myt h PHE 7 CO 0.00 1.47 0.11 0.22 -0.60 0.00 0.00 178.31 179.51 1myt h ASP 8 N 0.08 0.86 -0.23 2.17 3.58 -1.94 -1.88 116.42 119.06 1myt h ASP 8 Ca -0.29 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 56.92 1myt h ASP 8 Cb 2.04 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.86 1myt h ASP 8 CO 0.16 0.86 -0.13 0.00 -2.88 0.00 0.00 179.24 177.25 1myt h ALA 9 N 1.25 0.33 -0.60 -0.78 0.00 -1.65 -3.15 119.26 114.66 1myt h ALA 9 Ca 0.18 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1myt h ALA 9 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1myt h ALA 9 CO 0.01 0.20 0.10 0.28 0.00 0.00 0.00 179.25 179.84 1myt h VAL 10 N 0.22 1.26 0.00 0.00 2.07 -1.35 -1.83 116.25 116.61 1myt h VAL 10 Ca 0.05 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1myt h VAL 10 Cb 0.64 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1myt h VAL 10 CO 0.04 0.37 -0.07 -0.07 0.02 0.00 0.00 177.57 177.86 1myt h LEU 11 N 0.90 0.00 -0.28 2.57 3.38 -1.39 0.03 115.31 120.52 1myt h LEU 11 Ca 0.18 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 1myt h LEU 11 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1myt h LEU 11 CO 0.01 0.07 -0.68 0.11 0.09 0.00 0.00 178.44 178.03 1myt h LYS 12 N 0.00 0.73 -0.00 1.13 1.79 -1.30 -2.93 116.57 115.99 1myt h LYS 12 Ca -0.00 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 1myt h LYS 12 Cb 0.27 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1myt h LYS 12 CO 0.01 1.16 -0.10 0.00 -1.08 0.00 0.00 179.45 179.44 1myt h TRP 14 N 0.02 0.00 -0.93 0.00 2.91 -0.86 -3.39 115.95 113.70 1myt h TRP 14 Ca 0.00 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.17 1myt h TRP 14 Cb 0.48 0.00 -0.16 0.00 -0.51 0.00 0.00 29.16 28.98 1myt h TRP 14 CO 0.00 0.60 -0.37 0.78 -1.03 0.00 0.00 178.44 178.43 1myt h GLY 15 N 2.77 0.11 1.31 2.65 0.00 -1.68 0.22 103.07 108.45 1myt h GLY 15 Ca -0.01 0.49 0.10 0.00 0.00 0.00 0.00 47.33 47.91 1myt h GLY 15 CO 0.08 -0.22 0.25 -2.55 0.00 0.00 0.00 176.54 174.10 1myt h PRO 16 N -0.02 0.00 0.00 4.80 0.11 -1.87 -0.15 132.00 134.86 1myt h PRO 16 Ca 0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.45 1myt h PRO 16 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1myt h PRO 16 CO -0.94 0.00 -0.00 0.28 -0.21 0.00 0.00 178.00 177.12 1myt h VAL 17 N 0.00 1.50 0.00 3.15 2.07 -0.85 -3.26 116.25 118.85 1myt h VAL 17 Ca 0.16 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1myt h VAL 17 Cb 0.66 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1myt h VAL 17 CO -0.00 0.50 0.00 -0.08 0.02 0.00 0.00 177.57 178.01 1myt h GLU 18 N -0.99 0.00 0.00 1.57 4.81 -0.91 -0.59 114.58 118.47 1myt h GLU 18 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1myt h GLU 18 Cb 0.83 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 1myt h GLU 18 CO 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 178.17 1myt h ALA 19 N 2.04 1.17 -0.97 2.92 0.00 -1.07 -3.35 119.26 119.99 1myt h ALA 19 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1myt h ALA 19 Cb 0.11 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.72 1myt h ALA 19 CO 0.00 0.14 -0.47 0.34 0.00 0.00 0.00 179.25 179.26 1myt s ASP 20 N -6.00 -1.41 0.45 0.00 -1.08 -0.25 -4.99 116.67 103.39 1myt s ASP 20 Ca -0.02 -1.56 0.13 0.00 -0.52 0.00 0.00 52.55 50.59 1myt s ASP 20 Cb 0.12 1.85 1.02 0.00 -1.46 0.00 0.00 42.92 44.45 1myt s ASP 20 CO 0.57 -0.06 2.02 1.88 0.52 0.00 0.00 175.17 180.10 1myt h TYR 21 N 5.23 0.09 -0.09 -5.34 0.05 -1.66 -2.33 116.97 112.93 1myt h TYR 21 Ca 0.06 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1myt h TYR 21 Cb 1.12 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1myt h TYR 21 CO 0.10 0.18 -0.07 1.15 -1.05 0.00 0.00 178.16 178.47 1myt h THR 22 N 0.09 1.35 -0.18 -2.88 2.02 -1.89 0.13 112.91 111.56 1myt h THR 22 Ca 0.02 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 1myt h THR 22 Cb 0.21 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1myt h THR 22 CO 0.01 0.33 -0.10 0.74 0.37 0.00 0.00 175.52 176.87 1myt h THR 23 N -0.21 1.32 -0.05 3.16 2.02 -1.89 -2.22 112.91 115.04 1myt h THR 23 Ca 0.02 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 1myt h THR 23 Cb 0.56 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1myt h THR 23 CO 0.02 0.35 -0.49 -0.03 0.37 0.00 0.00 175.52 175.74 1myt h MET 24 N 0.05 0.13 -0.24 6.66 -1.53 -1.47 -1.28 114.93 117.25 1myt h MET 24 Ca 0.04 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1myt h MET 24 Cb 0.59 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.63 1myt h MET 24 CO 0.03 0.59 0.14 0.78 0.14 0.00 0.00 176.91 178.60 1myt h GLY 25 N 1.41 0.35 0.79 1.39 0.00 -0.57 -0.22 103.07 106.21 1myt h GLY 25 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.24 1myt h GLY 25 CO 0.07 0.14 0.61 -1.33 0.00 0.00 0.00 176.54 176.03 1myt h GLY 26 N 0.30 1.42 0.68 4.60 0.00 -1.13 -2.13 103.07 106.80 1myt h GLY 26 Ca 0.09 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1myt h GLY 26 CO -0.02 0.35 -0.00 1.41 0.00 0.00 0.00 176.54 178.28 1myt h LEU 27 N 1.14 0.02 0.05 3.11 4.07 -0.58 -0.97 115.31 122.16 1myt h LEU 27 Ca 0.40 -0.33 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 1myt h LEU 27 Cb 0.10 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1myt h LEU 27 CO -0.15 0.35 -0.02 0.58 -1.08 0.00 0.00 178.44 178.11 1myt h VAL 28 N -0.31 0.96 -0.14 1.22 2.07 -0.95 -2.07 116.25 117.03 1myt h VAL 28 Ca 0.00 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1myt h VAL 28 Cb 0.34 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1myt h VAL 28 CO 0.00 0.01 -0.19 -0.07 0.02 0.00 0.00 177.57 177.33 1myt h LEU 29 N -0.08 0.22 -0.20 2.57 4.07 -1.31 -0.33 115.31 120.24 1myt h LEU 29 Ca -0.01 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.91 1myt h LEU 29 Cb 0.06 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1myt h LEU 29 CO 0.01 0.43 0.09 0.74 -1.08 0.00 0.00 178.44 178.63 1myt h THR 30 N 0.21 0.98 -0.58 0.22 2.02 -1.16 -0.62 112.91 113.97 1myt h THR 30 Ca 0.04 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1myt h THR 30 Cb 0.47 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1myt h THR 30 CO 0.03 0.04 -0.00 -0.09 0.37 0.00 0.00 175.52 175.86 1myt h ARG 31 N 0.19 1.03 -0.11 6.66 9.65 -0.95 -0.54 114.38 130.32 1myt h ARG 31 Ca 0.08 -0.33 0.04 0.00 -1.10 0.00 0.00 59.98 58.67 1myt h ARG 31 Cb 0.03 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 1myt h ARG 31 CO -0.07 1.02 -0.15 1.25 2.80 0.00 0.00 179.97 184.81 1myt h LEU 32 N 0.92 -0.47 -1.26 3.80 5.85 -0.76 -0.10 115.31 123.29 1myt h LEU 32 Ca 0.16 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1myt h LEU 32 Cb 0.55 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1myt h LEU 32 CO 0.03 -0.20 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.39 1myt h PHE 33 N -0.20 0.17 0.21 1.25 0.04 -0.85 0.88 116.94 118.43 1myt h PHE 33 Ca 0.09 -0.03 -0.31 0.00 2.80 0.00 0.00 57.97 60.52 1myt h PHE 33 Cb 0.32 -0.04 0.03 0.00 2.20 0.00 0.00 35.95 38.47 1myt h PHE 33 CO -0.26 0.42 -1.32 0.87 -0.60 0.00 0.00 178.31 177.42 1myt h LYS 34 N 0.14 0.53 0.00 1.51 1.57 -0.80 -3.06 116.57 116.46 1myt h LYS 34 Ca 0.02 -0.85 -0.12 0.00 -1.87 0.00 0.00 60.65 57.84 1myt h LYS 34 Cb 0.57 0.31 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1myt h LYS 34 CO 0.04 1.40 -0.69 0.93 -0.57 0.00 0.00 179.45 180.56 1myt h GLU 35 N 0.10 0.00 -2.00 3.15 5.08 -0.96 -3.39 114.58 116.56 1myt h GLU 35 Ca -0.22 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.60 1myt h GLU 35 Cb 2.03 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.88 1myt h GLU 35 CO 0.25 0.46 -1.14 0.72 -1.00 0.00 0.00 179.01 178.30 1myt n HIS 36 N -3.15 -0.17 -0.08 4.33 8.25 0.29 -4.99 115.22 119.70 1myt n HIS 36 Ca -0.00 -3.64 0.24 0.00 -0.26 0.00 0.00 57.72 54.05 1myt n HIS 36 Cb 0.75 -0.37 0.71 0.00 1.12 0.00 0.00 29.99 32.20 1myt n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myt h PRO 37 N 3.69 0.00 -0.04 -0.41 0.11 -1.71 -0.05 132.00 133.60 1myt h PRO 37 Ca 0.08 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.20 1myt h PRO 37 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1myt h PRO 37 CO 0.47 0.00 0.04 1.05 -0.21 0.00 0.00 178.00 179.35 1myt h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.20 114.58 121.60 1myt h GLU 38 Ca 0.33 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.67 1myt h GLU 38 Cb 1.32 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.41 1myt h GLU 38 CO -0.00 0.00 -0.32 1.79 0.05 0.00 0.00 179.01 180.53 1myt h THR 39 N 0.00 0.81 -0.30 -1.06 1.35 -1.33 -2.94 112.91 109.44 1myt h THR 39 Ca 0.02 -1.31 -0.04 0.00 -0.55 0.00 0.00 66.41 64.53 1myt h THR 39 Cb 0.09 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1myt h THR 39 CO -0.00 0.31 0.02 -0.61 -0.25 0.00 0.00 175.52 174.99 1myt h GLN 40 N 0.00 0.46 0.00 4.72 4.15 -1.36 -2.07 115.11 121.01 1myt h GLN 40 Ca -0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1myt h GLN 40 Cb 0.79 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 1myt h GLN 40 CO 0.04 0.47 -0.04 0.87 -1.93 0.00 0.00 178.83 178.24 1myt h LYS 41 N 0.44 0.00 0.00 1.69 1.57 -1.60 -2.36 116.57 116.31 1myt h LYS 41 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1myt h LYS 41 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1myt h LYS 41 CO 0.01 0.04 0.00 1.28 -0.57 0.00 0.00 179.45 180.21 1myt n LEU 42 N -3.37 0.00 -4.14 2.94 4.77 -0.78 -4.40 117.00 112.02 1myt n LEU 42 Ca -0.02 0.45 -0.39 0.00 -0.03 0.00 0.00 56.01 56.03 1myt n LEU 42 Cb 0.18 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1myt n LEU 42 CO 0.26 -0.11 0.16 -0.36 -1.33 0.00 0.00 177.39 176.01 1myt s PHE 43 N -2.91 3.53 0.48 -1.77 0.40 -0.89 -4.98 117.98 111.85 1myt s PHE 43 Ca 0.13 -2.61 0.32 0.00 -0.60 0.00 0.00 56.93 54.17 1myt s PHE 43 Cb 0.15 -3.33 1.43 0.00 0.51 0.00 0.00 43.02 41.77 1myt s PHE 43 CO 0.39 -0.86 1.73 -1.35 0.70 0.00 0.00 175.22 175.84 1myt h PRO 44 N 7.06 0.12 0.00 0.24 0.11 -1.82 0.11 132.00 137.81 1myt h PRO 44 Ca 0.03 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1myt h PRO 44 Cb 0.95 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1myt h PRO 44 CO 0.73 0.08 -0.31 0.87 -0.21 0.00 0.00 178.00 179.16 1myt h LYS 45 N 0.12 0.00 0.00 1.05 1.57 -1.93 -3.28 116.57 114.10 1myt h LYS 45 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 1myt h LYS 45 Cb 2.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.62 1myt h LYS 45 CO -0.17 0.31 -0.52 1.19 -0.57 0.00 0.00 179.45 179.69 1myt n PHE 46 N -3.81 0.00 -1.94 -1.35 3.72 0.14 -4.99 117.46 109.23 1myt n PHE 46 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1myt n PHE 46 Cb 0.40 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 1myt n PHE 46 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1myt s ALA 47 N -1.86 3.64 0.00 4.37 0.00 0.13 -2.35 121.76 125.69 1myt s ALA 47 Ca 0.02 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1myt s ALA 47 Cb 0.06 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1myt s ALA 47 CO 0.32 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1myt n GLY 48 N 1.85 0.88 3.69 0.00 0.00 -1.26 -5.01 105.19 105.33 1myt n GLY 48 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1myt n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1myt s ILE 49 N -3.13 4.08 0.29 -0.61 1.01 -0.99 -4.95 121.20 116.90 1myt s ILE 49 Ca 0.00 1.42 -0.28 0.00 0.00 0.00 0.00 60.65 61.79 1myt s ILE 49 Cb 0.00 -3.91 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 1myt s ILE 49 CO 0.00 0.00 1.08 0.00 0.00 0.00 0.00 174.94 176.03 1myt n ALA 51 N 5.22 0.09 -0.10 9.38 0.00 -1.26 -4.87 120.51 128.97 1myt n ALA 51 Ca 0.12 0.39 0.06 0.00 0.00 0.00 0.00 53.44 54.00 1myt n ALA 51 Cb 0.45 -2.07 0.39 0.00 0.00 0.00 0.00 19.45 18.22 1myt n ALA 51 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1myt h GLN 52 N 2.24 0.63 0.00 0.00 4.15 -2.01 -0.16 115.11 119.96 1myt h GLN 52 Ca -0.41 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.96 1myt h GLN 52 Cb 1.33 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 1myt h GLN 52 CO 0.62 0.42 -0.04 0.00 -1.93 0.00 0.00 178.83 177.90 1myt h ALA 53 N 1.67 1.34 -0.03 3.38 0.00 -2.00 -2.94 119.26 120.68 1myt h ALA 53 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1myt h ALA 53 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1myt h ALA 53 CO -0.07 0.05 -0.13 -0.25 0.00 0.00 0.00 179.25 178.86 1myt n ASP 54 N -3.63 2.74 -0.03 0.00 9.92 -0.08 -4.52 116.55 120.94 1myt n ASP 54 Ca -0.02 -1.87 -0.12 0.00 -0.53 0.00 0.00 54.79 52.24 1myt n ASP 54 Cb 0.14 0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.68 1myt n ASP 54 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1myt h ILE 55 N 4.10 1.27 -3.35 0.53 2.04 -1.40 -3.36 117.51 117.34 1myt h ILE 55 Ca 0.00 -0.86 -0.52 0.00 1.00 0.00 0.00 64.86 64.48 1myt h ILE 55 Cb 0.93 1.63 0.05 0.00 -0.74 0.00 0.00 36.82 38.69 1myt h ILE 55 CO 0.00 0.24 0.72 0.00 0.00 0.00 0.00 178.15 179.11 1myt s ALA 56 N -4.89 3.59 0.00 1.87 0.00 -1.26 -1.12 121.76 119.95 1myt s ALA 56 Ca -0.14 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1myt s ALA 56 Cb 0.05 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1myt s ALA 56 CO 0.71 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1myt n GLY 57 N 2.37 1.20 3.69 0.00 0.00 -1.26 -5.00 105.19 106.18 1myt n GLY 57 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1myt n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1myt s ASN 58 N -3.05 6.58 0.12 1.61 3.84 -0.28 -4.91 114.94 118.85 1myt s ASN 58 Ca 0.00 2.52 -0.13 0.00 0.21 0.00 0.00 52.86 55.45 1myt s ASN 58 Cb 0.00 -2.56 -0.06 0.00 -0.55 0.00 0.00 41.25 38.08 1myt s ASN 58 CO 0.00 -0.90 1.46 0.00 -2.79 0.00 0.00 177.10 174.86 1myt h ALA 59 N 8.42 0.49 -0.75 1.71 0.00 -1.93 -1.39 119.26 125.80 1myt h ALA 59 Ca -0.43 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1myt h ALA 59 Cb 1.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1myt h ALA 59 CO 0.93 0.51 0.39 0.00 0.00 0.00 0.00 179.25 181.09 1myt h ALA 60 N 0.75 1.27 0.42 0.00 0.00 -1.98 0.25 119.26 119.96 1myt h ALA 60 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1myt h ALA 60 Cb 0.86 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1myt h ALA 60 CO 0.07 0.58 -0.20 0.82 0.00 0.00 0.00 179.25 180.52 1myt h ILE 61 N 1.06 0.58 -0.99 0.00 2.04 -1.88 -2.20 117.51 116.12 1myt h ILE 61 Ca 0.26 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1myt h ILE 61 Cb 0.06 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 1myt h ILE 61 CO -0.04 0.05 0.63 0.28 0.00 0.00 0.00 178.15 179.07 1myt h SER 62 N -0.71 0.95 -0.75 1.72 0.02 -1.08 0.30 113.55 114.00 1myt h SER 62 Ca -0.06 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1myt h SER 62 Cb 0.51 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1myt h SER 62 CO 0.09 0.55 0.33 0.00 -1.14 0.00 0.00 176.83 176.67 1myt h ALA 63 N 1.51 0.97 -0.23 3.77 0.00 -0.88 -0.24 119.26 124.16 1myt h ALA 63 Ca 0.46 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1myt h ALA 63 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1myt h ALA 63 CO -0.22 0.56 -0.37 1.25 0.00 0.00 0.00 179.25 180.46 1myt h HIS 64 N 1.06 0.60 -0.72 0.00 6.17 -1.04 -2.46 115.15 118.76 1myt h HIS 64 Ca 0.25 -0.16 -0.03 0.00 0.71 0.00 0.00 60.37 61.14 1myt h HIS 64 Cb 0.16 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 29.92 1myt h HIS 64 CO 0.01 0.82 0.33 0.78 0.71 0.00 0.00 177.93 180.58 1myt h GLY 65 N 1.07 1.12 1.00 5.26 0.00 -0.49 -0.51 103.07 110.52 1myt h GLY 65 Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1myt h GLY 65 CO 0.07 0.53 0.39 0.00 0.00 0.00 0.00 176.54 177.53 1myt h ALA 66 N 1.33 0.85 -0.49 3.60 0.00 -0.76 -0.97 119.26 122.82 1myt h ALA 66 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1myt h ALA 66 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1myt h ALA 66 CO -0.03 0.33 0.23 1.15 0.00 0.00 0.00 179.25 180.94 1myt h THR 67 N 0.90 1.19 0.12 0.00 2.02 -0.81 0.54 112.91 116.87 1myt h THR 67 Ca 0.24 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.88 1myt h THR 67 Cb -0.00 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 1myt h THR 67 CO -0.04 0.21 -0.45 0.58 0.37 0.00 0.00 175.52 176.20 1myt h VAL 68 N 0.65 0.12 -0.52 3.16 2.07 -0.84 -2.02 116.25 118.86 1myt h VAL 68 Ca 0.17 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 1myt h VAL 68 Cb 0.13 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1myt h VAL 68 CO -0.02 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.56 1myt h LEU 69 N -0.68 0.78 -0.59 2.57 3.38 -0.94 -0.71 115.31 119.12 1myt h LEU 69 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1myt h LEU 69 Cb 0.70 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1myt h LEU 69 CO -0.26 0.81 0.37 0.11 0.09 0.00 0.00 178.44 179.57 1myt h LYS 70 N 0.78 0.80 -0.37 1.13 1.57 -0.83 0.20 116.57 119.85 1myt h LYS 70 Ca 0.16 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1myt h LYS 70 Cb 0.38 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1myt h LYS 70 CO 0.01 0.56 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.01 1myt h LYS 71 N 0.80 0.79 -0.73 3.15 1.63 -0.94 -1.96 116.57 119.32 1myt h LYS 71 Ca 0.22 -0.36 0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1myt h LYS 71 Cb -0.05 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.51 1myt h LYS 71 CO -0.04 0.99 0.42 1.25 -3.45 0.00 0.00 179.45 178.61 1myt h LEU 72 N 0.58 0.63 -0.53 5.20 5.85 -0.84 -1.96 115.31 124.24 1myt h LEU 72 Ca 0.08 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.92 1myt h LEU 72 Cb 0.77 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 1myt h LEU 72 CO 0.06 0.40 0.08 1.23 -0.34 0.00 0.00 178.44 179.87 1myt h GLY 73 N 0.76 0.63 1.05 3.75 0.00 -0.36 0.84 103.07 109.73 1myt h GLY 73 Ca 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1myt h GLY 73 CO -0.19 -0.10 0.63 0.83 0.00 0.00 0.00 176.54 177.71 1myt h GLU 74 N 0.21 1.28 -0.17 4.80 5.08 -0.85 -1.09 114.58 123.84 1myt h GLU 74 Ca 0.27 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1myt h GLU 74 Cb 0.38 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1myt h GLU 74 CO -0.37 0.85 0.05 -0.07 -1.00 0.00 0.00 179.01 178.48 1myt h LEU 75 N 1.31 0.25 -0.75 1.33 4.07 -0.57 -2.71 115.31 118.25 1myt h LEU 75 Ca 0.35 -0.21 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1myt h LEU 75 Cb -0.14 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.50 1myt h LEU 75 CO -0.07 0.39 0.37 -0.07 -1.08 0.00 0.00 178.44 177.97 1myt h LEU 76 N 0.09 0.97 -1.62 1.67 3.38 -0.65 -2.36 115.31 116.79 1myt h LEU 76 Ca 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1myt h LEU 76 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1myt h LEU 76 CO -0.00 0.83 -0.12 0.11 0.09 0.00 0.00 178.44 179.35 1myt h LYS 77 N 1.05 0.00 0.00 1.13 1.57 -1.13 -1.46 116.57 117.73 1myt h LYS 77 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1myt h LYS 77 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1myt h LYS 77 CO -0.03 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1myt h ALA 78 N 1.88 1.00 -6.53 3.86 0.00 -1.09 -3.47 119.26 114.91 1myt h ALA 78 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1myt h ALA 78 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1myt h ALA 78 CO 0.02 0.00 -0.88 1.63 0.00 0.00 0.00 179.25 180.01 1myt n LYS 79 N -2.57 -3.24 -0.27 0.00 5.02 -0.55 -1.12 118.16 115.43 1myt n LYS 79 Ca 0.01 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1myt n LYS 79 Cb 0.24 -4.56 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 1myt n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myt n GLY 80 N -1.95 1.35 2.73 0.72 0.00 -1.26 -4.94 105.19 101.83 1myt n GLY 80 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1myt n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1myt n SER 81 N 0.00 6.56 -0.93 1.61 7.64 -0.28 -4.74 113.62 123.48 1myt n SER 81 Ca 0.00 -3.68 0.10 0.00 1.01 0.00 0.00 58.87 56.30 1myt n SER 81 Cb 0.00 -1.01 0.16 0.00 -1.01 0.00 0.00 64.21 62.34 1myt n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1myt n HIS 82 N -0.04 0.32 -0.24 1.43 1.44 -1.26 -4.72 115.22 112.14 1myt n HIS 82 Ca 0.42 -0.19 0.03 0.00 -2.01 0.00 0.00 57.72 55.97 1myt n HIS 82 Cb 0.30 -0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.54 1myt n HIS 82 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1myt h ALA 83 N 3.80 0.68 0.00 1.59 0.00 -1.99 -0.34 119.26 123.01 1myt h ALA 83 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1myt h ALA 83 Cb 0.86 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1myt h ALA 83 CO 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 179.25 178.78 1myt h ALA 84 N 1.68 1.05 0.07 0.00 0.00 -2.01 -1.01 119.26 119.03 1myt h ALA 84 Ca 0.38 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.90 1myt h ALA 84 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1myt h ALA 84 CO -0.65 0.06 -1.94 -0.89 0.00 0.00 0.00 179.25 175.84 1myt n ILE 85 N -3.22 1.69 0.05 0.00 5.41 -0.63 -4.58 119.36 118.08 1myt n ILE 85 Ca -0.00 -0.71 -0.20 0.00 1.00 0.00 0.00 62.75 62.84 1myt n ILE 85 Cb 0.27 -1.41 -0.13 0.00 -0.71 0.00 0.00 39.64 37.67 1myt n ILE 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1myt h LEU 86 N 0.04 0.60 -0.36 1.39 5.85 -0.88 -3.27 115.31 118.68 1myt h LEU 86 Ca -0.39 -0.85 0.05 0.00 0.84 0.00 0.00 57.88 57.53 1myt h LEU 86 Cb 2.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1myt h LEU 86 CO 0.07 1.39 0.11 0.50 -0.34 0.00 0.00 178.44 180.18 1myt h LYS 87 N -0.11 0.25 -0.48 1.25 1.63 -1.42 0.08 116.57 117.77 1myt h LYS 87 Ca -0.13 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1myt h LYS 87 Cb 1.60 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 33.15 1myt h LYS 87 CO 0.16 0.16 0.33 -1.35 -3.45 0.00 0.00 179.45 175.31 1myt h PRO 88 N 0.26 0.20 -0.24 1.90 0.11 -1.82 0.32 132.00 132.73 1myt h PRO 88 Ca 0.17 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.07 1myt h PRO 88 Cb 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1myt h PRO 88 CO -0.18 0.13 -0.60 1.25 -0.21 0.00 0.00 178.00 178.39 1myt h LEU 89 N 0.21 0.95 -0.85 2.35 5.85 -1.30 -1.55 115.31 120.95 1myt h LEU 89 Ca 0.22 -0.56 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 1myt h LEU 89 Cb 0.62 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1myt h LEU 89 CO -0.04 1.34 -0.10 0.00 -0.34 0.00 0.00 178.44 179.30 1myt h ALA 90 N 0.63 1.03 0.07 1.25 0.00 -0.15 -1.10 119.26 120.99 1myt h ALA 90 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1myt h ALA 90 Cb 1.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1myt h ALA 90 CO 0.13 0.59 -0.05 -0.91 0.00 0.00 0.00 179.25 179.01 1myt h ASN 91 N 0.68 -0.12 -0.32 0.00 -0.26 -0.12 -0.50 115.58 114.94 1myt h ASN 91 Ca 0.12 0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.73 1myt h ASN 91 Cb 0.56 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1myt h ASN 91 CO 0.03 -0.08 -0.33 0.77 -1.06 0.00 0.00 177.43 176.77 1myt h SER 92 N -0.12 0.85 0.46 5.81 4.64 -1.21 -1.11 113.55 122.87 1myt h SER 92 Ca -0.00 -0.47 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1myt h SER 92 Cb 0.11 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1myt h SER 92 CO -0.00 1.15 -0.50 0.45 -0.87 0.00 0.00 176.83 177.05 1myt h HIS 93 N 0.56 0.05 0.07 4.77 3.86 -0.90 -0.09 115.15 123.48 1myt h HIS 93 Ca 0.05 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1myt h HIS 93 Cb 0.91 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 29.38 1myt h HIS 93 CO 0.07 0.54 -0.50 0.00 0.86 0.00 0.00 177.93 178.89 1myt h ALA 94 N 1.46 -0.01 0.01 2.45 0.00 -1.08 -0.30 119.26 121.79 1myt h ALA 94 Ca -0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 54.91 53.91 1myt h ALA 94 Cb 0.90 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1myt h ALA 94 CO 0.07 0.25 -2.07 0.25 0.00 0.00 0.00 179.25 177.75 1myt n THR 95 N -4.35 1.52 -0.12 0.00 -2.24 -0.42 -3.53 114.28 105.14 1myt n THR 95 Ca -0.14 -0.80 -0.25 0.00 -2.27 0.00 0.00 64.05 60.60 1myt n THR 95 Cb 0.66 -0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 67.90 1myt n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1myt n LYS 96 N -2.97 0.62 0.06 -0.78 5.02 -0.19 -4.70 118.16 115.22 1myt n LYS 96 Ca -0.27 0.27 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1myt n LYS 96 Cb 1.09 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 1myt n LYS 96 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1myt n HIS 97 N -3.91 0.76 -3.58 2.13 8.25 -0.36 -4.99 115.22 113.51 1myt n HIS 97 Ca -0.48 0.23 -0.24 0.00 -0.26 0.00 0.00 57.72 56.97 1myt n HIS 97 Cb 0.91 -0.90 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1myt n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1myt n LYS 98 N -2.64 -2.63 -3.39 -0.41 5.02 -0.27 -4.98 118.16 108.87 1myt n LYS 98 Ca -0.04 0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 56.46 1myt n LYS 98 Cb 0.63 -4.88 -0.09 0.00 -0.02 0.00 0.00 35.03 30.67 1myt n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1myt s ILE 99 N -3.51 5.16 0.44 -0.18 -1.09 -0.35 -5.01 121.20 116.65 1myt s ILE 99 Ca 0.32 0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 58.76 1myt s ILE 99 Cb -0.09 -3.79 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1myt s ILE 99 CO 0.82 -0.01 1.29 -2.84 -1.23 0.00 0.00 174.94 172.96 1myt s PRO 100 N 2.07 3.78 0.38 2.79 0.02 -1.26 -4.77 135.00 138.01 1myt s PRO 100 Ca 0.13 2.10 0.13 0.00 0.02 0.00 0.00 61.00 63.38 1myt s PRO 100 Cb -0.16 -2.60 0.94 0.00 0.02 0.00 0.00 34.50 32.70 1myt s PRO 100 CO 0.11 -0.63 1.85 0.82 -0.33 0.00 0.00 177.00 178.82 1myt h ILE 101 N 2.17 0.74 -0.78 2.83 1.08 -1.98 -2.23 117.51 119.34 1myt h ILE 101 Ca -0.50 -0.19 0.17 0.00 -0.39 0.00 0.00 64.86 63.95 1myt h ILE 101 Cb 1.26 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 1myt h ILE 101 CO 0.61 0.10 0.53 -1.13 -0.69 0.00 0.00 178.15 177.57 1myt h ASN 102 N 0.56 0.34 0.24 1.72 -1.24 -2.02 -1.11 115.58 114.08 1myt h ASN 102 Ca 0.48 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.48 1myt h ASN 102 Cb 0.96 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.96 1myt h ASN 102 CO -0.22 0.16 -0.16 0.78 -1.29 0.00 0.00 177.43 176.71 1myt h ASN 103 N 0.36 0.00 0.11 1.15 4.21 -1.76 -1.30 115.58 118.35 1myt h ASN 103 Ca 0.39 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.79 1myt h ASN 103 Cb 1.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 1myt h ASN 103 CO -0.12 0.16 -0.39 -0.26 -1.29 0.00 0.00 177.43 175.53 1myt h PHE 104 N 0.00 0.43 -0.37 1.19 -1.00 -1.37 -1.94 116.94 113.89 1myt h PHE 104 Ca -0.00 -0.12 -0.10 0.00 2.81 0.00 0.00 57.97 60.57 1myt h PHE 104 Cb 0.32 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1myt h PHE 104 CO 0.00 0.71 -0.17 0.87 -1.61 0.00 0.00 178.31 178.11 1myt h LYS 105 N 0.31 0.68 -0.20 1.51 1.57 -1.29 -2.24 116.57 116.92 1myt h LYS 105 Ca 0.03 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1myt h LYS 105 Cb 0.83 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1myt h LYS 105 CO 0.07 0.81 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.66 1myt h LEU 106 N 0.61 0.37 -0.71 2.94 3.38 -1.20 -2.18 115.31 118.52 1myt h LEU 106 Ca 0.10 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1myt h LEU 106 Cb 0.63 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1myt h LEU 106 CO 0.04 0.62 -0.62 -0.29 0.09 0.00 0.00 178.44 178.28 1myt h ILE 107 N 0.11 1.40 -0.97 1.22 2.10 -1.34 -2.55 117.51 117.47 1myt h ILE 107 Ca 0.05 -2.17 0.03 0.00 1.08 0.00 0.00 64.86 63.85 1myt h ILE 107 Cb 0.45 2.19 -0.05 0.00 -1.09 0.00 0.00 36.82 38.31 1myt h ILE 107 CO 0.01 0.61 0.64 0.28 -1.08 0.00 0.00 178.15 178.61 1myt h SER 108 N 0.00 1.07 0.28 2.19 0.02 -1.16 -0.30 113.55 115.65 1myt h SER 108 Ca -0.01 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 1myt h SER 108 Cb 1.14 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 1myt h SER 108 CO 0.08 0.75 -0.78 -0.08 -1.14 0.00 0.00 176.83 175.65 1myt h GLU 109 N 1.25 0.40 -0.24 3.45 4.81 -1.18 -1.09 114.58 121.99 1myt h GLU 109 Ca 0.38 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1myt h GLU 109 Cb -0.04 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1myt h GLU 109 CO -0.11 1.01 -0.03 0.28 -0.73 0.00 0.00 179.01 179.42 1myt h VAL 110 N 0.26 1.27 -0.65 0.32 2.07 -1.22 -2.30 116.25 116.01 1myt h VAL 110 Ca -0.04 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1myt h VAL 110 Cb 1.38 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 1myt h VAL 110 CO 0.13 0.31 0.39 0.25 0.02 0.00 0.00 177.57 178.67 1myt h LEU 111 N 0.20 0.63 -0.03 2.57 6.46 -0.57 -0.54 115.31 124.02 1myt h LEU 111 Ca 0.06 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1myt h LEU 111 Cb 0.47 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1myt h LEU 111 CO 0.02 0.43 0.02 0.58 -0.62 0.00 0.00 178.44 178.87 1myt h VAL 112 N 0.76 1.06 -0.57 1.05 2.07 -1.08 -0.51 116.25 119.03 1myt h VAL 112 Ca 0.27 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1myt h VAL 112 Cb 0.06 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1myt h VAL 112 CO -0.12 0.05 0.32 0.11 0.02 0.00 0.00 177.57 177.95 1myt h LYS 113 N -0.03 0.61 -0.48 1.57 6.56 -1.03 -1.01 116.57 122.77 1myt h LYS 113 Ca 0.01 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.47 1myt h LYS 113 Cb 0.07 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 1myt h LYS 113 CO -0.00 0.41 -0.08 0.28 -2.06 0.00 0.00 179.45 177.99 1myt h VAL 114 N 0.63 1.27 -0.31 0.50 2.07 -1.01 -2.03 116.25 117.37 1myt h VAL 114 Ca 0.24 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1myt h VAL 114 Cb 0.08 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1myt h VAL 114 CO -0.13 0.42 -0.23 0.24 0.02 0.00 0.00 177.57 177.89 1myt h MET 115 N 0.75 0.60 -0.83 1.57 2.86 -0.89 0.96 114.93 119.96 1myt h MET 115 Ca 0.13 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1myt h MET 115 Cb 0.63 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 1myt h MET 115 CO 0.04 0.79 0.37 1.25 1.06 0.00 0.00 176.91 180.42 1myt h HIS 116 N 0.53 1.22 0.02 -0.22 6.17 -0.82 0.34 115.15 122.38 1myt h HIS 116 Ca 0.08 -0.07 -0.26 0.00 0.71 0.00 0.00 60.37 60.82 1myt h HIS 116 Cb 0.69 -0.37 -0.04 0.00 2.52 0.00 0.00 27.41 30.21 1myt h HIS 116 CO 0.03 0.89 -1.43 0.93 0.71 0.00 0.00 177.93 179.07 1myt h GLU 117 N 1.19 0.04 0.00 5.26 5.08 -0.99 -3.39 114.58 121.76 1myt h GLU 117 Ca 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1myt h GLU 117 Cb 0.16 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1myt h GLU 117 CO -0.03 0.77 -0.67 1.63 -1.00 0.00 0.00 179.01 179.71 1myt n LYS 118 N -3.22 2.00 -0.19 2.33 4.76 0.30 -4.81 118.16 119.33 1myt n LYS 118 Ca -0.11 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.40 1myt n LYS 118 Cb 1.01 -0.82 0.09 0.00 -1.84 0.00 0.00 35.03 33.47 1myt n LYS 118 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1myt n ALA 119 N -1.22 2.16 -1.02 7.82 0.00 0.07 -5.02 120.51 123.30 1myt n ALA 119 Ca 0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 53.44 51.34 1myt n ALA 119 Cb 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 19.45 19.05 1myt n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1myt n GLY 120 N -0.99 0.48 3.59 0.00 0.00 -0.94 -4.87 105.19 102.47 1myt n GLY 120 Ca 0.11 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1myt n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1myt s LEU 121 N -0.18 3.49 0.00 0.99 2.96 -0.95 -5.01 118.68 119.98 1myt s LEU 121 Ca 0.00 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 1myt s LEU 121 Cb 0.00 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.35 1myt s LEU 121 CO 0.00 -1.70 0.00 -0.90 -1.32 0.00 0.00 176.35 172.43 1myt n ASP 122 N 10.02 0.00 -0.07 3.68 5.68 -1.26 -4.25 116.55 130.35 1myt n ASP 122 Ca 0.19 -0.52 -0.10 0.00 -0.50 0.00 0.00 54.79 53.86 1myt n ASP 122 Cb 0.48 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.43 1myt n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1myt h ALA 125 N -1.69 0.31 -0.26 2.12 0.00 -1.99 -0.30 119.26 117.44 1myt h ALA 125 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1myt h ALA 125 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1myt h ALA 125 CO 0.00 -0.12 0.16 0.78 0.00 0.00 0.00 179.25 180.07 1myt h GLY 126 N 0.25 0.37 1.06 0.00 0.00 -2.00 -2.27 103.07 100.47 1myt h GLY 126 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1myt h GLY 126 CO -0.01 0.15 0.30 -1.33 0.00 0.00 0.00 176.54 175.64 1myt h GLY 127 N 0.33 1.28 0.89 4.60 0.00 -1.76 -2.46 103.07 105.95 1myt h GLY 127 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.72 1myt h GLY 127 CO -0.02 0.67 -0.06 1.46 0.00 0.00 0.00 176.54 178.59 1myt h GLN 128 N 1.15 -0.12 -0.35 4.80 4.20 -0.86 0.42 115.11 124.36 1myt h GLN 128 Ca 0.26 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.03 1myt h GLN 128 Cb 0.24 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1myt h GLN 128 CO -0.02 -0.08 0.04 1.15 -0.67 0.00 0.00 178.83 179.25 1myt h THR 129 N -0.13 0.79 -0.46 -0.54 2.02 -1.22 -0.80 112.91 112.57 1myt h THR 129 Ca 0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1myt h THR 129 Cb 0.14 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1myt h THR 129 CO -0.04 0.03 0.29 0.00 0.37 0.00 0.00 175.52 176.17 1myt h ALA 130 N 1.28 0.59 -0.29 6.16 0.00 -1.29 -1.59 119.26 124.11 1myt h ALA 130 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1myt h ALA 130 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1myt h ALA 130 CO -0.24 0.06 0.04 1.25 0.00 0.00 0.00 179.25 180.36 1myt h LEU 131 N 0.62 0.46 -1.23 0.00 5.85 -0.74 -0.45 115.31 119.81 1myt h LEU 131 Ca 0.17 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1myt h LEU 131 Cb -0.03 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1myt h LEU 131 CO -0.03 0.61 0.56 0.03 -0.34 0.00 0.00 178.44 179.27 1myt h ARG 132 N 0.30 0.84 -0.06 1.25 3.08 -1.03 -0.09 114.38 118.67 1myt h ARG 132 Ca 0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1myt h ARG 132 Cb 0.35 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1myt h ARG 132 CO 0.01 0.56 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.54 1myt h ASN 133 N 0.87 0.12 -0.28 7.04 -0.26 -0.86 -0.56 115.58 121.65 1myt h ASN 133 Ca 0.39 -0.36 0.02 0.00 -0.56 0.00 0.00 56.30 55.80 1myt h ASN 133 Cb 0.37 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 1myt h ASN 133 CO -0.16 0.45 0.14 0.58 -1.06 0.00 0.00 177.43 177.37 1myt h VAL 134 N -0.21 0.99 -0.77 2.81 2.07 -0.77 -2.37 116.25 117.99 1myt h VAL 134 Ca 0.02 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1myt h VAL 134 Cb 0.39 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1myt h VAL 134 CO 0.01 0.05 0.48 0.24 0.02 0.00 0.00 177.57 178.37 1myt h MET 135 N 0.29 1.04 -0.62 1.57 2.86 -0.94 -2.03 114.93 117.10 1myt h MET 135 Ca 0.12 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1myt h MET 135 Cb 0.04 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 1myt h MET 135 CO -0.08 0.72 0.36 0.78 1.06 0.00 0.00 176.91 179.75 1myt h GLY 136 N 1.08 0.89 0.67 8.32 0.00 -0.58 0.12 103.07 113.57 1myt h GLY 136 Ca 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1myt h GLY 136 CO -0.05 0.36 -0.14 -2.22 0.00 0.00 0.00 176.54 174.48 1myt h ILE 137 N 0.85 0.73 -0.56 2.60 2.04 -1.14 -1.23 117.51 120.80 1myt h ILE 137 Ca 0.22 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1myt h ILE 137 Cb -0.02 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1myt h ILE 137 CO -0.04 0.12 0.30 0.40 0.00 0.00 0.00 178.15 178.93 1myt h ILE 138 N -0.72 0.97 -0.06 -0.67 2.04 -0.77 -1.04 117.51 117.26 1myt h ILE 138 Ca -0.04 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1myt h ILE 138 Cb 0.49 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1myt h ILE 138 CO 0.06 0.11 -0.61 0.16 0.00 0.00 0.00 178.15 177.87 1myt h ILE 139 N 0.58 1.40 -0.71 -0.67 -0.00 -0.71 0.10 117.51 117.49 1myt h ILE 139 Ca 0.25 -2.00 -0.03 0.00 -0.00 0.00 0.00 64.86 63.07 1myt h ILE 139 Cb 0.13 2.03 -0.03 0.00 -0.00 0.00 0.00 36.82 38.95 1myt h ILE 139 CO -0.16 0.59 0.31 0.00 -0.00 0.00 0.00 178.15 178.89 1myt h ALA 140 N 1.23 1.20 -0.29 0.16 0.00 -0.85 0.27 119.26 120.97 1myt h ALA 140 Ca -0.01 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1myt h ALA 140 Cb 1.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1myt h ALA 140 CO 0.09 0.59 -0.55 -0.44 0.00 0.00 0.00 179.25 178.95 1myt h ASP 141 N 1.02 0.99 -0.76 0.00 5.19 -0.80 -2.20 116.42 119.87 1myt h ASP 141 Ca 0.24 -0.53 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1myt h ASP 141 Cb 0.16 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.35 1myt h ASP 141 CO -0.02 1.34 0.39 -0.07 -3.12 0.00 0.00 179.24 177.75 1myt h LEU 142 N 0.68 0.96 -0.39 1.55 3.38 -0.14 -1.47 115.31 119.88 1myt h LEU 142 Ca 0.01 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1myt h LEU 142 Cb 1.16 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1myt h LEU 142 CO 0.12 0.80 0.15 -0.08 0.09 0.00 0.00 178.44 179.52 1myt h GLU 143 N 1.05 0.30 -0.33 1.13 4.81 -0.85 0.26 114.58 120.96 1myt h GLU 143 Ca 0.26 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1myt h GLU 143 Cb 0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1myt h GLU 143 CO -0.04 0.20 0.20 0.00 -0.73 0.00 0.00 179.01 178.64 1myt h ALA 144 N 1.24 0.41 -0.79 2.92 0.00 -1.09 -1.25 119.26 120.70 1myt h ALA 144 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1myt h ALA 144 Cb 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1myt h ALA 144 CO -0.17 -0.16 0.34 -0.91 0.00 0.00 0.00 179.25 178.36 1myt h ASN 145 N 0.40 1.07 -0.78 0.00 2.35 -0.98 -2.05 115.58 115.59 1myt h ASN 145 Ca 0.13 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1myt h ASN 145 Cb -0.01 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.05 1myt h ASN 145 CO -0.05 0.93 0.45 1.88 -1.65 0.00 0.00 177.43 178.98 1myt h TYR 146 N 1.14 1.07 -0.38 1.19 -1.99 -0.31 -2.55 116.97 115.13 1myt h TYR 146 Ca 0.27 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.99 1myt h TYR 146 Cb 0.17 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 1myt h TYR 146 CO 0.02 0.73 0.25 0.87 -0.00 0.00 0.00 178.16 180.03 1myt h LYS 147 N 1.10 0.49 0.00 4.88 1.57 -0.71 -1.56 116.57 122.34 1myt h LYS 147 Ca 0.28 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1myt h LYS 147 Cb 0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1myt h LYS 147 CO -0.05 0.32 -0.13 1.49 -0.57 0.00 0.00 179.45 180.51 1myt h GLU 148 N 0.50 0.00 0.00 3.15 4.81 -1.21 -1.14 114.58 120.69 1myt h GLU 148 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1myt h GLU 148 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1myt h GLU 148 CO -0.04 0.13 -0.53 -0.07 -0.73 0.00 0.00 179.01 177.77 1myt h LEU 149 N 0.00 0.00 -0.42 1.64 4.07 -1.03 -3.48 115.31 116.09 1myt h LEU 149 Ca -0.00 -0.16 -0.07 0.00 0.08 0.00 0.00 57.88 57.74 1myt h LEU 149 Cb 0.47 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.22 1myt h LEU 149 CO 0.02 0.08 -0.10 0.61 -1.08 0.00 0.00 178.44 177.96 1myt n GLY 150 N 1.31 0.53 2.76 0.83 0.00 -0.43 -4.99 105.19 105.19 1myt n GLY 150 Ca 0.03 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1myt n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1myt n PHE 151 N -3.33 3.13 -2.04 1.61 7.35 -0.66 -5.02 117.46 118.51 1myt n PHE 151 Ca -0.01 -2.60 0.00 0.00 -0.76 0.00 0.00 57.45 54.07 1myt n PHE 151 Cb 0.52 -0.81 0.00 0.00 0.35 0.00 0.00 39.48 39.54 1myt n PHE 151 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1myt n SER 152 N -0.53 0.00 0.00 -2.13 7.64 -1.26 -4.56 113.62 112.78 1myt n SER 152 Ca 0.49 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1myt n SER 152 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1myt n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64