#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lft n HIS 2 N 0.00 0.00 -1.05 1.45 -0.00 -1.26 -4.76 115.22 109.60 1lft n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1lft n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1lft n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lft n LEU 3 N -0.42 -2.72 -4.82 0.27 4.77 -1.26 -5.01 117.00 107.82 1lft n LEU 3 Ca 0.00 0.48 -0.33 0.00 -0.03 0.00 0.00 56.01 56.14 1lft n LEU 3 Cb 0.00 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 39.69 1lft n LEU 3 CO 0.00 -0.40 0.68 0.42 -1.33 0.00 0.00 177.39 176.75 1lft s THR 4 N -0.09 4.28 0.60 -5.08 -4.23 -1.26 -4.78 115.64 105.09 1lft s THR 4 Ca 0.00 1.30 0.29 0.00 -1.18 0.00 0.00 61.69 62.10 1lft s THR 4 Cb 0.00 -3.59 0.36 0.00 1.34 0.00 0.00 72.50 70.61 1lft s THR 4 CO 0.00 -0.43 1.96 1.55 -0.54 0.00 0.00 174.62 177.16 1lft h PRO 5 N 1.44 0.00 -0.35 3.99 0.13 -1.98 0.33 132.00 135.56 1lft h PRO 5 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1lft h PRO 5 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1lft h PRO 5 CO 0.60 0.00 -0.18 0.93 -0.23 0.00 0.00 178.00 179.13 1lft h GLU 6 N 0.00 0.74 -0.33 0.86 5.08 -2.00 -1.75 114.58 117.18 1lft h GLU 6 Ca 0.14 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 58.00 1lft h GLU 6 Cb 0.88 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1lft h GLU 6 CO -0.00 0.94 -0.47 0.93 -1.00 0.00 0.00 179.01 179.41 1lft h GLU 7 N 0.53 0.89 -0.90 2.33 5.08 -0.88 -3.08 114.58 118.54 1lft h GLU 7 Ca 0.08 -0.52 0.10 0.00 -1.00 0.00 0.00 59.36 58.02 1lft h GLU 7 Cb 0.72 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 1lft h GLU 7 CO 0.05 1.17 0.54 0.87 -1.00 0.00 0.00 179.01 180.64 1lft h LYS 8 N 0.69 0.86 -0.04 2.33 1.79 -0.47 -1.58 116.57 120.15 1lft h LYS 8 Ca 0.03 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 1lft h LYS 8 Cb 1.07 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1lft h LYS 8 CO 0.11 0.57 -0.49 0.66 -1.08 0.00 0.00 179.45 179.22 1lft h SER 9 N 0.89 0.11 0.06 0.86 4.64 -1.26 -2.30 113.55 116.56 1lft h SER 9 Ca 0.44 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1lft h SER 9 Cb 0.40 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1lft h SER 9 CO -0.25 0.58 -0.03 0.00 -0.87 0.00 0.00 176.83 176.26 1lft h ALA 10 N 1.42 -0.08 -0.42 5.18 0.00 -1.24 -2.12 119.26 122.01 1lft h ALA 10 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1lft h ALA 10 Cb 0.89 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1lft h ALA 10 CO 0.07 -0.25 0.23 0.28 0.00 0.00 0.00 179.25 179.58 1lft h VAL 11 N -0.68 1.02 0.90 0.00 2.07 -1.39 -2.30 116.25 115.87 1lft h VAL 11 Ca -0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1lft h VAL 11 Cb 0.57 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1lft h VAL 11 CO 0.01 0.09 -0.43 0.74 0.02 0.00 0.00 177.57 178.00 1lft h THR 12 N 0.47 0.00 -0.58 2.57 2.02 -1.49 -0.61 112.91 115.29 1lft h THR 12 Ca 0.17 -0.12 0.12 0.00 0.77 0.00 0.00 66.41 67.35 1lft h THR 12 Cb 0.04 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.35 1lft h THR 12 CO -0.10 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.79 1lft h ALA 13 N -1.33 0.56 -0.16 6.16 0.00 -1.39 -1.90 119.26 121.21 1lft h ALA 13 Ca -0.12 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1lft h ALA 13 Cb 0.93 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1lft h ALA 13 CO 0.20 -0.39 -0.02 1.25 0.00 0.00 0.00 179.25 180.30 1lft h LEU 14 N 0.12 0.28 -2.73 0.00 7.12 -1.45 -3.03 115.31 115.62 1lft h LEU 14 Ca 0.30 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1lft h LEU 14 Cb 0.47 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1lft h LEU 14 CO -0.49 0.55 0.01 -0.25 -0.13 0.00 0.00 178.44 178.13 1lft h TRP 15 N 0.01 0.00 -0.00 1.25 2.91 -0.66 -1.36 115.95 118.10 1lft h TRP 15 Ca 0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1lft h TRP 15 Cb 0.42 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1lft h TRP 15 CO 0.04 0.00 -0.02 0.41 -1.03 0.00 0.00 178.44 177.84 1lft n GLY 16 N -1.20 -1.12 0.19 2.65 0.00 -0.75 -2.99 105.19 101.98 1lft n GLY 16 Ca -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.87 1lft n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lft n LYS 17 N -1.11 2.07 -2.19 1.61 5.02 -0.51 -5.01 118.16 118.03 1lft n LYS 17 Ca 0.17 -0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 55.60 1lft n LYS 17 Cb 0.21 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1lft n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1lft s VAL 18 N -1.97 3.49 -1.11 -0.18 1.01 -1.16 -4.94 120.40 115.54 1lft s VAL 18 Ca 0.09 1.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 1lft s VAL 18 Cb 0.11 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1lft s VAL 18 CO 0.44 0.04 1.68 0.21 0.00 0.00 0.00 175.10 177.48 1lft s ASN 19 N 1.45 6.20 0.32 3.32 3.84 -1.26 -4.84 114.94 123.98 1lft s ASN 19 Ca 0.64 -1.66 0.09 0.00 0.21 0.00 0.00 52.86 52.15 1lft s ASN 19 Cb -0.34 -2.57 0.93 0.00 -0.55 0.00 0.00 41.25 38.71 1lft s ASN 19 CO 0.29 -1.80 1.65 1.62 -2.79 0.00 0.00 177.10 176.07 1lft h VAL 20 N 6.42 0.28 -0.46 -5.21 3.04 -1.95 -1.60 116.25 116.77 1lft h VAL 20 Ca 0.26 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.90 1lft h VAL 20 Cb 0.96 0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 30.20 1lft h VAL 20 CO 1.38 0.05 0.23 0.44 -1.01 0.00 0.00 177.57 178.65 1lft h ASP 21 N 0.25 0.33 0.00 3.17 3.32 -1.95 -3.19 116.42 118.35 1lft h ASP 21 Ca 0.66 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.69 1lft h ASP 21 Cb 1.45 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 1lft h ASP 21 CO -0.65 0.23 -0.24 -0.33 -1.72 0.00 0.00 179.24 176.53 1lft h GLU 22 N 0.46 0.00 -0.73 3.56 4.39 -1.70 -3.39 114.58 117.17 1lft h GLU 22 Ca 0.20 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.06 1lft h GLU 22 Cb 0.11 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.65 1lft h GLU 22 CO -0.14 0.91 0.10 0.28 -1.16 0.00 0.00 179.01 179.00 1lft h VAL 23 N -1.00 0.45 -0.96 3.13 2.07 -1.47 -1.14 116.25 117.33 1lft h VAL 23 Ca -0.06 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1lft h VAL 23 Cb 0.97 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1lft h VAL 23 CO -0.04 0.04 0.62 1.23 0.02 0.00 0.00 177.57 179.44 1lft h GLY 24 N 0.19 1.44 1.80 2.17 0.00 -1.75 -1.93 103.07 104.99 1lft h GLY 24 Ca 0.41 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1lft h GLY 24 CO -0.56 0.30 -0.42 -1.33 0.00 0.00 0.00 176.54 174.52 1lft h GLY 25 N 1.08 0.00 1.28 4.60 0.00 -1.50 -2.36 103.07 106.17 1lft h GLY 25 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.63 1lft h GLY 25 CO -0.17 0.00 -0.23 0.83 0.00 0.00 0.00 176.54 176.96 1lft h GLU 26 N 0.00 0.82 0.06 4.80 4.39 -0.59 -1.64 114.58 122.43 1lft h GLU 26 Ca -0.02 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1lft h GLU 26 Cb 1.20 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1lft h GLU 26 CO 0.03 0.97 -0.03 0.00 -1.16 0.00 0.00 179.01 178.82 1lft h ALA 27 N 1.02 -0.08 -0.51 3.43 0.00 -1.37 -2.68 119.26 119.05 1lft h ALA 27 Ca 0.09 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1lft h ALA 27 Cb 0.76 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1lft h ALA 27 CO 0.06 -0.09 -0.10 1.25 0.00 0.00 0.00 179.25 180.37 1lft h LEU 28 N -0.99 -0.43 -0.00 0.00 7.12 -1.50 0.14 115.31 119.65 1lft h LEU 28 Ca -0.01 0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.16 1lft h LEU 28 Cb 0.40 0.30 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 1lft h LEU 28 CO 0.01 -0.15 -0.07 1.23 -0.13 0.00 0.00 178.44 179.33 1lft h GLY 29 N 0.02 -0.07 1.78 3.75 0.00 -1.42 -2.16 103.07 104.97 1lft h GLY 29 Ca 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1lft h GLY 29 CO -0.51 -0.07 0.07 3.21 0.00 0.00 0.00 176.54 179.23 1lft h ARG 30 N -0.12 0.28 0.22 4.80 3.08 -0.96 -1.28 114.38 120.40 1lft h ARG 30 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1lft h ARG 30 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1lft h ARG 30 CO -0.07 0.25 -0.11 1.25 -1.07 0.00 0.00 179.97 180.22 1lft h LEU 31 N 0.29 -0.25 -2.10 3.04 5.85 -0.23 0.11 115.31 122.01 1lft h LEU 31 Ca 0.07 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1lft h LEU 31 Cb 0.08 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1lft h LEU 31 CO -0.01 -0.13 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.81 1lft h LEU 32 N -0.35 0.00 0.07 2.25 3.38 -0.83 0.40 115.31 120.24 1lft h LEU 32 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1lft h LEU 32 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1lft h LEU 32 CO 0.05 0.08 -0.97 0.58 0.09 0.00 0.00 178.44 178.27 1lft h VAL 33 N 0.00 1.26 0.00 1.22 2.07 -0.83 -3.31 116.25 116.67 1lft h VAL 33 Ca -0.00 -2.37 -0.16 0.00 0.82 0.00 0.00 66.70 64.99 1lft h VAL 33 Cb 0.22 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1lft h VAL 33 CO 0.01 0.61 -0.76 0.58 0.02 0.00 0.00 177.57 178.03 1lft h VAL 34 N -0.59 1.25 -2.15 2.57 2.07 -0.72 -3.37 116.25 115.31 1lft h VAL 34 Ca -0.22 -2.78 -0.58 0.00 0.82 0.00 0.00 66.70 63.95 1lft h VAL 34 Cb 1.49 2.61 -0.41 0.00 -1.52 0.00 0.00 31.29 33.46 1lft h VAL 34 CO 0.01 0.71 -0.79 -1.22 0.02 0.00 0.00 177.57 176.31 1lft n TYR 35 N -3.27 2.47 -0.20 1.57 4.01 0.12 -4.99 117.16 116.86 1lft n TYR 35 Ca 0.01 -3.95 0.10 0.00 -0.16 0.00 0.00 57.90 53.90 1lft n TYR 35 Cb 0.84 -0.48 0.20 0.00 -0.31 0.00 0.00 39.34 39.59 1lft n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1lft n PRO 36 N 0.66 -0.05 -0.10 -0.72 -0.02 -1.25 -0.58 135.00 132.95 1lft n PRO 36 Ca 0.28 0.88 0.25 0.00 -2.02 0.00 0.00 63.50 62.89 1lft n PRO 36 Cb 0.46 -1.43 0.71 0.00 -0.02 0.00 0.00 33.50 33.23 1lft n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1lft h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.93 0.48 115.95 120.58 1lft h TRP 37 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.36 1lft h TRP 37 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.08 1lft h TRP 37 CO -0.26 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.06 1lft h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.18 -1.26 112.91 111.94 1lft h THR 38 Ca 0.35 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1lft h THR 38 Cb 1.41 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1lft h THR 38 CO -0.00 0.00 -0.02 1.56 -0.25 0.00 0.00 175.52 176.80 1lft h GLN 39 N 0.00 0.00 -0.19 4.72 4.20 -0.22 -2.29 115.11 121.33 1lft h GLN 39 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1lft h GLN 39 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1lft h GLN 39 CO 0.00 0.02 0.13 -0.09 -0.67 0.00 0.00 178.83 178.22 1lft h ARG 40 N 0.00 0.04 -0.15 1.46 2.43 -1.37 -1.53 114.38 115.25 1lft h ARG 40 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1lft h ARG 40 Cb 0.20 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1lft h ARG 40 CO 0.00 0.03 0.00 1.19 -1.51 0.00 0.00 179.97 179.68 1lft n PHE 41 N -4.49 0.20 -2.44 2.20 3.01 -0.86 -4.03 117.46 111.04 1lft n PHE 41 Ca 0.01 -0.10 0.01 0.00 1.01 0.00 0.00 57.45 58.38 1lft n PHE 41 Cb 0.24 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.76 1lft n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1lft n PHE 42 N 0.19 0.59 0.20 1.38 3.01 -0.58 -4.86 117.46 117.38 1lft n PHE 42 Ca 0.15 -1.25 0.17 0.00 1.01 0.00 0.00 57.45 57.53 1lft n PHE 42 Cb 0.29 -0.20 0.82 0.00 -0.01 0.00 0.00 39.48 40.38 1lft n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1lft h GLU 43 N 1.57 0.00 0.00 -1.08 5.08 -1.69 -1.25 114.58 117.21 1lft h GLU 43 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1lft h GLU 43 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1lft h GLU 43 CO 0.16 0.00 -0.09 -1.13 -1.00 0.00 0.00 179.01 176.96 1lft n SER 44 N -3.86 0.55 0.00 1.42 3.41 -1.26 -3.62 113.62 110.26 1lft n SER 44 Ca 0.02 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1lft n SER 44 Cb 0.33 -0.56 0.37 0.00 -0.26 0.00 0.00 64.21 64.08 1lft n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1lft n PHE 45 N -1.98 0.00 0.00 7.33 0.99 -0.47 -4.98 117.46 118.35 1lft n PHE 45 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1lft n PHE 45 Cb 0.40 -0.25 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 1lft n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lft n GLY 46 N -0.07 0.73 3.69 1.37 0.00 -1.24 -4.74 105.19 104.93 1lft n GLY 46 Ca 0.07 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1lft n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lft s ASP 47 N -4.00 7.16 -0.11 1.61 3.68 -1.26 -4.91 116.67 118.84 1lft s ASP 47 Ca 0.00 1.42 0.23 0.00 2.13 0.00 0.00 52.55 56.33 1lft s ASP 47 Cb 0.00 -2.52 0.45 0.00 -1.45 0.00 0.00 42.92 39.41 1lft s ASP 47 CO 0.00 -0.38 1.16 0.18 0.13 0.00 0.00 175.17 176.25 1lft n LEU 48 N 4.84 1.48 0.18 -1.34 4.77 -1.26 -4.35 117.00 121.31 1lft n LEU 48 Ca 0.06 -2.57 0.04 0.00 -0.03 0.00 0.00 56.01 53.51 1lft n LEU 48 Cb 0.49 0.08 0.34 0.00 -2.33 0.00 0.00 43.42 42.00 1lft n LEU 48 CO 0.51 0.80 0.68 -1.28 -1.33 0.00 0.00 177.39 176.77 1lft h SER 49 N 1.51 0.00 -5.17 -1.43 0.87 -1.94 -3.46 113.55 103.94 1lft h SER 49 Ca -0.16 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.27 1lft h SER 49 Cb 1.63 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.42 1lft h SER 49 CO 0.14 0.40 -0.68 0.42 -0.53 0.00 0.00 176.83 176.59 1lft s THR 50 N -3.86 0.19 0.26 2.23 -4.23 -1.26 -5.03 115.64 103.94 1lft s THR 50 Ca -0.01 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1lft s THR 50 Cb 0.13 -1.17 0.25 0.00 1.34 0.00 0.00 72.50 73.05 1lft s THR 50 CO 0.71 -0.86 1.80 1.55 -0.54 0.00 0.00 174.62 177.29 1lft h PRO 51 N 3.56 0.79 0.07 3.99 0.13 -1.98 0.54 132.00 139.10 1lft h PRO 51 Ca -0.33 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1lft h PRO 51 Cb 1.16 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1lft h PRO 51 CO 0.59 0.52 -0.31 -0.44 -0.23 0.00 0.00 178.00 178.13 1lft h ASP 52 N 0.81 -0.91 -0.71 1.44 3.32 -1.99 0.19 116.42 118.57 1lft h ASP 52 Ca 0.46 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.67 1lft h ASP 52 Cb 0.51 0.36 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1lft h ASP 52 CO -0.29 -0.39 0.42 0.00 -1.72 0.00 0.00 179.24 177.26 1lft h ALA 53 N 0.19 0.96 -0.26 3.45 0.00 -1.64 -2.01 119.26 119.95 1lft h ALA 53 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1lft h ALA 53 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1lft h ALA 53 CO -0.22 0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.52 1lft h VAL 54 N 0.77 1.19 0.00 0.00 2.07 -0.19 -1.20 116.25 118.90 1lft h VAL 54 Ca 0.31 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1lft h VAL 54 Cb 0.15 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1lft h VAL 54 CO -0.17 0.20 -0.22 0.24 0.02 0.00 0.00 177.57 177.65 1lft h MET 55 N 0.25 0.00 0.00 1.57 2.07 -0.46 -2.83 114.93 115.53 1lft h MET 55 Ca 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 1lft h MET 55 Cb 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1lft h MET 55 CO -0.00 0.22 -1.03 0.41 1.07 0.00 0.00 176.91 177.57 1lft n GLY 56 N -0.28 -1.21 3.62 8.32 0.00 -0.77 -4.88 105.19 109.99 1lft n GLY 56 Ca -0.01 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 1lft n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lft n ASN 57 N -1.96 3.54 -0.05 1.61 2.85 -0.46 -4.87 115.26 115.92 1lft n ASN 57 Ca 0.02 0.54 0.17 0.00 -0.11 0.00 0.00 54.58 55.20 1lft n ASN 57 Cb 0.44 -1.51 0.60 0.00 1.24 0.00 0.00 39.78 40.55 1lft n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1lft h PRO 58 N 12.75 0.19 -0.08 1.20 0.11 -1.90 -0.91 132.00 143.35 1lft h PRO 58 Ca -0.44 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1lft h PRO 58 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1lft h PRO 58 CO 0.96 0.12 -0.26 0.87 -0.21 0.00 0.00 178.00 179.48 1lft h LYS 59 N 0.19 0.14 0.59 1.05 1.79 -1.89 -2.35 116.57 116.08 1lft h LYS 59 Ca 0.28 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1lft h LYS 59 Cb 0.83 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1lft h LYS 59 CO -0.05 0.40 -0.28 0.28 -1.08 0.00 0.00 179.45 178.72 1lft h VAL 60 N 0.13 0.00 -0.03 0.50 2.07 -1.48 -1.78 116.25 115.65 1lft h VAL 60 Ca 0.02 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1lft h VAL 60 Cb 0.53 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1lft h VAL 60 CO 0.04 0.00 0.03 0.07 0.02 0.00 0.00 177.57 177.73 1lft h LYS 61 N -1.19 0.00 -0.15 1.57 5.09 -1.60 0.15 116.57 120.45 1lft h LYS 61 Ca -0.08 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.50 1lft h LYS 61 Cb 0.60 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.93 1lft h LYS 61 CO 0.13 0.00 -0.59 0.00 -2.09 0.00 0.00 179.45 176.90 1lft h ALA 62 N 1.97 0.70 0.18 0.07 0.00 -1.40 -2.78 119.26 118.00 1lft h ALA 62 Ca 0.02 -0.53 -0.27 0.00 0.00 0.00 0.00 54.91 54.12 1lft h ALA 62 Cb 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1lft h ALA 62 CO -0.00 0.70 -1.26 1.25 0.00 0.00 0.00 179.25 179.94 1lft h HIS 63 N 0.37 0.70 -0.96 0.00 2.76 -0.25 -3.27 115.15 114.50 1lft h HIS 63 Ca -0.00 -0.51 0.22 0.00 -2.20 0.00 0.00 60.37 57.88 1lft h HIS 63 Cb 1.13 -0.03 -0.12 0.00 1.55 0.00 0.00 27.41 29.94 1lft h HIS 63 CO 0.04 1.49 0.52 0.78 -1.30 0.00 0.00 177.93 179.46 1lft h GLY 64 N 0.01 1.74 -0.05 5.26 0.00 -0.80 0.12 103.07 109.35 1lft h GLY 64 Ca -0.24 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 46.88 1lft h GLY 64 CO 0.18 -0.21 -0.36 1.70 0.00 0.00 0.00 176.54 177.85 1lft h LYS 65 N 0.56 -0.35 -0.34 4.80 1.63 -1.54 0.11 116.57 121.44 1lft h LYS 65 Ca 0.59 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.41 1lft h LYS 65 Cb 1.08 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.77 1lft h LYS 65 CO -0.47 -0.23 0.20 0.87 -3.45 0.00 0.00 179.45 176.37 1lft h LYS 66 N -0.36 0.47 -0.36 1.90 1.57 -0.93 -0.44 116.57 118.42 1lft h LYS 66 Ca 0.12 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1lft h LYS 66 Cb 0.57 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 1lft h LYS 66 CO -0.45 0.38 0.00 0.28 -0.57 0.00 0.00 179.45 179.09 1lft h VAL 67 N 0.43 0.74 0.00 0.50 2.07 -0.46 0.52 116.25 120.05 1lft h VAL 67 Ca 0.12 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1lft h VAL 67 Cb 0.04 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1lft h VAL 67 CO -0.02 0.02 -0.11 -0.07 0.02 0.00 0.00 177.57 177.41 1lft h LEU 68 N 0.10 0.00 -0.10 2.57 3.38 -0.51 -1.47 115.31 119.29 1lft h LEU 68 Ca 0.17 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1lft h LEU 68 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1lft h LEU 68 CO -0.29 0.11 -0.08 1.23 0.09 0.00 0.00 178.44 179.50 1lft h GLY 69 N 0.36 0.00 0.64 0.83 0.00 0.17 -2.55 103.07 102.52 1lft h GLY 69 Ca -0.00 0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.49 1lft h GLY 69 CO 0.01 -0.09 0.32 0.00 0.00 0.00 0.00 176.54 176.78 1lft h ALA 70 N 0.99 0.83 -0.17 3.60 0.00 -0.14 -1.58 119.26 122.79 1lft h ALA 70 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1lft h ALA 70 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1lft h ALA 70 CO -0.16 -0.02 0.06 0.74 0.00 0.00 0.00 179.25 179.87 1lft h PHE 71 N 0.60 0.11 -0.53 0.00 -1.00 -1.33 0.66 116.94 115.45 1lft h PHE 71 Ca 0.29 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 61.04 1lft h PHE 71 Cb 0.21 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1lft h PHE 71 CO -0.10 0.06 0.20 0.66 -1.61 0.00 0.00 178.31 177.52 1lft h SER 72 N 0.15 0.70 -0.66 2.17 4.64 -1.29 1.08 113.55 120.33 1lft h SER 72 Ca 0.07 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1lft h SER 72 Cb 0.04 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1lft h SER 72 CO -0.07 0.64 0.09 -0.78 -0.87 0.00 0.00 176.83 175.84 1lft h ASP 73 N 0.76 1.07 1.32 4.97 1.82 -0.24 -1.98 116.42 124.14 1lft h ASP 73 Ca 0.18 -0.27 -0.07 0.00 -0.39 0.00 0.00 57.03 56.48 1lft h ASP 73 Cb 0.17 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 1lft h ASP 73 CO -0.02 1.07 -0.35 1.23 -1.61 0.00 0.00 179.24 179.56 1lft h GLY 74 N 1.04 0.00 2.00 -0.78 0.00 0.16 -3.16 103.07 102.33 1lft h GLY 74 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 1lft h GLY 74 CO 0.02 0.00 -0.40 -2.00 0.00 0.00 0.00 176.54 174.16 1lft h LEU 75 N 0.00 0.00 -3.95 3.11 5.85 0.19 -2.53 115.31 117.97 1lft h LEU 75 Ca -0.00 0.00 -0.49 0.00 0.84 0.00 0.00 57.88 58.22 1lft h LEU 75 Cb 1.11 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.85 1lft h LEU 75 CO 0.05 0.40 0.60 0.00 -0.34 0.00 0.00 178.44 179.14 1lft n ALA 76 N -2.39 5.51 -2.03 1.25 0.00 -0.86 -4.08 120.51 117.90 1lft n ALA 76 Ca -0.01 -2.92 -0.02 0.00 0.00 0.00 0.00 53.44 50.49 1lft n ALA 76 Cb 0.46 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1lft n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lft n HIS 77 N -1.14 0.00 -0.21 0.00 8.25 -0.98 -4.94 115.22 116.20 1lft n HIS 77 Ca 0.58 -0.18 0.31 0.00 -0.26 0.00 0.00 57.72 58.17 1lft n HIS 77 Cb 1.63 0.26 0.67 0.00 1.12 0.00 0.00 29.99 33.67 1lft n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lft h LEU 78 N 0.07 0.00 -1.98 2.41 3.38 -1.63 0.79 115.31 118.35 1lft h LEU 78 Ca -0.18 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1lft h LEU 78 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1lft h LEU 78 CO -0.08 0.00 0.14 -0.78 0.09 0.00 0.00 178.44 177.82 1lft h ASP 79 N 0.00 0.02 -0.69 -0.43 -0.00 -1.89 -3.34 116.42 110.09 1lft h ASP 79 Ca 0.47 -0.00 -0.30 0.00 -0.00 0.00 0.00 57.03 57.20 1lft h ASP 79 Cb 2.24 -0.01 -0.21 0.00 -0.00 0.00 0.00 39.33 41.36 1lft h ASP 79 CO -0.00 0.02 -0.65 -3.20 -0.00 0.00 0.00 179.24 175.40 1lft n ASN 80 N -4.48 -2.18 0.01 2.28 5.15 0.27 -4.97 115.26 111.34 1lft n ASN 80 Ca 0.02 -3.07 -0.04 0.00 -0.60 0.00 0.00 54.58 50.88 1lft n ASN 80 Cb 0.27 1.16 0.19 0.00 -0.53 0.00 0.00 39.78 40.87 1lft n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lft h LEU 81 N 4.21 0.50 -0.23 1.20 4.07 -1.66 -2.93 115.31 120.48 1lft h LEU 81 Ca -0.05 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 57.80 1lft h LEU 81 Cb 1.00 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.53 1lft h LEU 81 CO 0.32 0.75 -0.29 0.50 -1.08 0.00 0.00 178.44 178.64 1lft h LYS 82 N 0.44 -0.29 -0.04 1.13 3.64 -1.90 -2.38 116.57 117.15 1lft h LYS 82 Ca 0.06 0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.21 1lft h LYS 82 Cb 0.68 0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1lft h LYS 82 CO 0.05 -0.20 -0.96 0.78 -2.27 0.00 0.00 179.45 176.85 1lft h GLY 83 N -0.31 0.79 0.75 5.01 0.00 -1.95 -3.00 103.07 104.36 1lft h GLY 83 Ca 0.13 -1.29 0.12 0.00 0.00 0.00 0.00 47.33 46.28 1lft h GLY 83 CO -0.40 1.14 0.51 -0.84 0.00 0.00 0.00 176.54 176.96 1lft h THR 84 N 0.43 0.28 -0.01 4.70 2.02 -1.30 -2.16 112.91 116.86 1lft h THR 84 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1lft h THR 84 Cb 1.60 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1lft h THR 84 CO 0.19 0.00 -0.11 0.49 0.37 0.00 0.00 175.52 176.46 1lft n PHE 85 N -3.53 0.00 -0.33 3.16 3.01 -0.92 -4.75 117.46 114.09 1lft n PHE 85 Ca 0.07 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.69 1lft n PHE 85 Cb 0.68 0.00 0.31 0.00 -0.01 0.00 0.00 39.48 40.46 1lft n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lft n ALA 86 N 0.20 0.53 0.40 4.37 0.00 -0.81 -0.03 120.51 125.16 1lft n ALA 86 Ca 0.05 1.04 -0.18 0.00 0.00 0.00 0.00 53.44 54.35 1lft n ALA 86 Cb 0.25 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 1lft n ALA 86 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1lft h THR 87 N 0.00 0.23 -0.17 0.00 2.02 -1.85 -1.49 112.91 111.64 1lft h THR 87 Ca 0.61 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.69 1lft h THR 87 Cb 1.28 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1lft h THR 87 CO -0.90 0.01 0.10 -0.07 0.37 0.00 0.00 175.52 175.03 1lft h LEU 88 N -1.06 0.20 0.17 2.58 3.38 -1.44 -1.56 115.31 117.58 1lft h LEU 88 Ca -0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1lft h LEU 88 Cb 0.78 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1lft h LEU 88 CO 0.17 0.16 -0.08 -1.28 0.09 0.00 0.00 178.44 177.50 1lft h SER 89 N 0.24 -0.20 -0.93 -0.43 0.87 -0.22 0.10 113.55 112.98 1lft h SER 89 Ca 0.06 -0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.63 1lft h SER 89 Cb 0.00 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 1lft h SER 89 CO -0.01 -0.04 0.57 -0.08 -0.53 0.00 0.00 176.83 176.75 1lft h GLU 90 N -0.35 0.95 0.75 2.24 4.57 -0.79 -0.02 114.58 121.94 1lft h GLU 90 Ca -0.02 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1lft h GLU 90 Cb 0.27 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1lft h GLU 90 CO 0.04 0.63 -0.39 1.25 -1.18 0.00 0.00 179.01 179.36 1lft h LEU 91 N 0.98 -0.93 -0.57 1.64 5.85 -0.62 -2.75 115.31 118.90 1lft h LEU 91 Ca 0.43 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 59.07 1lft h LEU 91 Cb 0.33 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1lft h LEU 91 CO -0.22 -0.64 -0.60 0.45 -0.34 0.00 0.00 178.44 177.09 1lft h HIS 92 N -1.05 0.00 0.00 1.25 3.86 -0.66 -1.55 115.15 117.01 1lft h HIS 92 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1lft h HIS 92 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1lft h HIS 92 CO -0.04 0.60 0.00 0.00 0.86 0.00 0.00 177.93 179.35 1lft n ASP 94 N -0.46 6.59 0.12 0.00 5.68 -1.04 -2.36 116.55 125.08 1lft n ASP 94 Ca 0.00 -3.11 0.00 0.00 -0.50 0.00 0.00 54.79 51.18 1lft n ASP 94 Cb 0.00 -1.28 0.00 0.00 -1.14 0.00 0.00 41.12 38.70 1lft n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1lft n LYS 95 N 1.22 0.00 -0.04 0.11 4.76 -1.24 -4.91 118.16 118.05 1lft n LYS 95 Ca 0.51 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.87 1lft n LYS 95 Cb 0.54 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.59 1lft n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1lft n LEU 96 N -2.98 0.63 -1.86 -0.35 4.77 -0.58 -5.01 117.00 111.62 1lft n LEU 96 Ca 0.00 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1lft n LEU 96 Cb 0.00 0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1lft n LEU 96 CO 0.00 0.39 -0.02 1.41 -1.33 0.00 0.00 177.39 177.84 1lft n HIS 97 N -2.94 -1.12 -2.50 -1.77 8.25 -0.41 -4.99 115.22 109.74 1lft n HIS 97 Ca -0.20 0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 1lft n HIS 97 Cb 1.05 -3.08 -0.03 0.00 1.12 0.00 0.00 29.99 29.06 1lft n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1lft s VAL 98 N -2.89 4.31 0.06 1.59 1.01 -0.52 -4.96 120.40 119.00 1lft s VAL 98 Ca 0.16 1.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.48 1lft s VAL 98 Cb -0.07 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1lft s VAL 98 CO 0.20 0.04 1.67 -0.62 0.00 0.00 0.00 175.10 176.40 1lft s ASP 99 N 1.30 6.59 0.34 3.32 2.15 -1.26 -4.77 116.67 124.34 1lft s ASP 99 Ca 0.55 2.49 0.10 0.00 0.43 0.00 0.00 52.55 56.12 1lft s ASP 99 Cb -0.25 -2.56 0.54 0.00 -0.30 0.00 0.00 42.92 40.35 1lft s ASP 99 CO 0.24 -0.90 1.17 1.55 -0.17 0.00 0.00 175.17 177.05 1lft h PRO 100 N 8.52 0.00 0.00 4.34 0.13 -1.96 -0.23 132.00 142.79 1lft h PRO 100 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1lft h PRO 100 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1lft h PRO 100 CO 0.93 0.00 -0.16 1.49 -0.23 0.00 0.00 178.00 180.03 1lft h GLU 101 N 0.00 0.00 0.00 0.86 4.57 -1.99 -2.40 114.58 115.62 1lft h GLU 101 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1lft h GLU 101 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1lft h GLU 101 CO 0.00 0.16 -0.06 0.09 -1.18 0.00 0.00 179.01 178.02 1lft n ASN 102 N -3.52 0.34 0.09 1.04 5.03 -0.10 -3.05 115.26 115.09 1lft n ASN 102 Ca -0.01 0.46 -0.07 0.00 0.87 0.00 0.00 54.58 55.83 1lft n ASN 102 Cb 0.32 -0.52 -0.03 0.00 -1.02 0.00 0.00 39.78 38.52 1lft n ASN 102 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1lft h PHE 103 N 0.00 0.13 -0.50 3.10 0.04 -1.60 -2.71 116.94 115.39 1lft h PHE 103 Ca 0.00 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 1lft h PHE 103 Cb 0.59 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1lft h PHE 103 CO 0.00 0.94 -0.17 0.00 -0.60 0.00 0.00 178.31 178.48 1lft h ARG 104 N 0.04 1.00 -0.47 1.51 -0.00 -1.62 -2.62 114.38 112.21 1lft h ARG 104 Ca -0.03 -0.40 -0.01 0.00 -0.50 0.00 0.00 59.98 59.04 1lft h ARG 104 Cb 1.58 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 31.48 1lft h ARG 104 CO 0.13 1.08 0.24 -0.07 0.00 0.00 0.00 179.97 181.34 1lft h LEU 105 N 0.87 0.60 -0.75 3.04 3.38 -1.53 -0.20 115.31 120.72 1lft h LEU 105 Ca 0.12 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1lft h LEU 105 Cb 0.74 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1lft h LEU 105 CO 0.06 0.55 0.12 0.25 0.09 0.00 0.00 178.44 179.50 1lft h LEU 106 N 0.62 1.02 -0.80 1.67 5.85 -1.46 -0.42 115.31 121.78 1lft h LEU 106 Ca 0.16 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1lft h LEU 106 Cb 0.09 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1lft h LEU 106 CO -0.02 1.00 0.33 1.23 -0.34 0.00 0.00 178.44 180.64 1lft h GLY 107 N 1.05 1.28 1.06 3.75 0.00 -1.11 0.27 103.07 109.37 1lft h GLY 107 Ca 0.20 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1lft h GLY 107 CO 0.01 0.65 -0.45 3.43 0.00 0.00 0.00 176.54 180.18 1lft h ASN 108 N 1.17 0.86 -0.09 0.19 -0.26 -0.75 -2.22 115.58 114.48 1lft h ASN 108 Ca 0.27 -0.52 -0.14 0.00 -0.56 0.00 0.00 56.30 55.35 1lft h ASN 108 Cb 0.21 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1lft h ASN 108 CO -0.02 1.22 -0.41 -0.37 -1.06 0.00 0.00 177.43 176.79 1lft h VAL 109 N 0.53 1.30 -0.52 2.81 -1.51 -0.90 -0.71 116.25 117.26 1lft h VAL 109 Ca 0.02 -1.59 0.07 0.00 -1.23 0.00 0.00 66.70 63.97 1lft h VAL 109 Cb 1.05 1.54 -0.06 0.00 -2.13 0.00 0.00 31.29 31.70 1lft h VAL 109 CO 0.10 0.50 0.20 0.25 -1.23 0.00 0.00 177.57 177.39 1lft h LEU 110 N 0.51 0.21 -1.14 4.19 6.46 -0.42 -0.16 115.31 124.96 1lft h LEU 110 Ca 0.04 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1lft h LEU 110 Cb 0.93 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 1lft h LEU 110 CO 0.08 0.15 0.30 0.58 -0.62 0.00 0.00 178.44 178.93 1lft h VAL 111 N 0.38 1.21 -0.62 1.05 2.07 -0.80 -1.38 116.25 118.16 1lft h VAL 111 Ca 0.25 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1lft h VAL 111 Cb 0.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1lft h VAL 111 CO -0.24 0.25 0.05 0.00 0.02 0.00 0.00 177.57 177.65 1lft h VAL 113 N 0.97 1.24 -0.47 0.00 2.07 -0.45 0.62 116.25 120.23 1lft h VAL 113 Ca 0.18 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1lft h VAL 113 Cb 0.49 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1lft h VAL 113 CO 0.02 0.30 0.13 -0.07 0.02 0.00 0.00 177.57 177.97 1lft h LEU 114 N 0.86 0.65 -0.47 2.57 3.38 -0.99 -0.95 115.31 120.35 1lft h LEU 114 Ca 0.20 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1lft h LEU 114 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1lft h LEU 114 CO -0.01 0.63 -0.72 0.00 0.09 0.00 0.00 178.44 178.43 1lft h ALA 115 N 1.46 0.68 -0.51 1.53 0.00 -0.81 -1.71 119.26 119.92 1lft h ALA 115 Ca 0.16 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1lft h ALA 115 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1lft h ALA 115 CO -0.01 0.80 0.07 1.25 0.00 0.00 0.00 179.25 181.36 1lft h HIS 116 N 0.18 0.90 0.13 0.00 -0.00 -0.18 -1.00 115.15 115.19 1lft h HIS 116 Ca -0.02 -0.13 -0.30 0.00 -0.00 0.00 0.00 60.37 59.91 1lft h HIS 116 Cb 1.28 -0.25 0.03 0.00 -0.00 0.00 0.00 27.41 28.48 1lft h HIS 116 CO 0.03 0.83 -1.26 0.45 -0.00 0.00 0.00 177.93 177.97 1lft h HIS 117 N 0.72 0.98 0.00 5.26 -0.00 -1.17 -3.35 115.15 117.59 1lft h HIS 117 Ca 0.15 -0.63 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1lft h HIS 117 Cb 0.42 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1lft h HIS 117 CO 0.03 1.47 -0.86 1.19 -0.00 0.00 0.00 177.93 179.76 1lft n PHE 118 N -3.77 0.18 -1.48 2.45 3.01 -0.65 -5.03 117.46 112.17 1lft n PHE 118 Ca -0.14 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1lft n PHE 118 Cb 1.00 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 1lft n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lft n GLY 119 N 1.42 2.50 0.35 1.37 0.00 -0.38 -2.34 105.19 108.11 1lft n GLY 119 Ca 0.03 -0.21 0.26 0.00 0.00 0.00 0.00 46.02 46.10 1lft n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lft h LYS 120 N 0.00 0.27 0.00 1.61 1.57 -1.96 0.27 116.57 118.34 1lft h LYS 120 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1lft h LYS 120 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1lft h LYS 120 CO 0.00 0.18 0.16 1.49 -0.57 0.00 0.00 179.45 180.71 1lft h GLU 121 N 0.28 0.00 -3.50 3.15 4.81 -1.87 -3.20 114.58 114.25 1lft h GLU 121 Ca 0.75 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 59.21 1lft h GLU 121 Cb 1.80 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.98 1lft h GLU 121 CO -0.58 0.00 1.57 0.34 -0.73 0.00 0.00 179.01 179.60 1lft n PHE 122 N -2.81 3.10 -1.22 0.92 7.35 0.96 -4.98 117.46 120.77 1lft n PHE 122 Ca -0.02 -2.85 -0.31 0.00 -0.76 0.00 0.00 57.45 53.51 1lft n PHE 122 Cb 0.21 -1.79 0.11 0.00 0.35 0.00 0.00 39.48 38.37 1lft n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lft s THR 123 N -0.37 3.04 0.21 -2.13 -4.23 -1.21 -4.75 115.64 106.20 1lft s THR 123 Ca 0.37 0.34 -0.09 0.00 -1.18 0.00 0.00 61.69 61.13 1lft s THR 123 Cb 0.06 -2.81 0.17 0.00 1.34 0.00 0.00 72.50 71.25 1lft s THR 123 CO 0.03 -0.44 1.71 -0.65 -0.54 0.00 0.00 174.62 174.72 1lft h PRO 124 N -1.31 0.27 -1.01 3.99 0.11 -1.95 -0.25 132.00 131.86 1lft h PRO 124 Ca -0.46 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1lft h PRO 124 Cb 1.25 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1lft h PRO 124 CO 0.52 0.18 0.66 -1.35 -0.21 0.00 0.00 178.00 177.80 1lft h PRO 125 N 0.28 1.22 -0.40 1.05 0.11 -1.99 -0.45 132.00 131.82 1lft h PRO 125 Ca 0.32 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 1lft h PRO 125 Cb 0.47 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1lft h PRO 125 CO -0.40 0.80 -0.25 0.28 -0.21 0.00 0.00 178.00 178.23 1lft h VAL 126 N 1.25 1.27 -0.27 3.15 2.07 -1.60 -2.51 116.25 119.62 1lft h VAL 126 Ca 0.41 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1lft h VAL 126 Cb 0.04 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1lft h VAL 126 CO -0.14 0.47 0.10 -0.61 0.02 0.00 0.00 177.57 177.40 1lft h GLN 127 N 0.70 0.41 0.00 1.57 4.15 -0.37 -2.27 115.11 119.31 1lft h GLN 127 Ca 0.09 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1lft h GLN 127 Cb 0.79 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1lft h GLN 127 CO 0.07 0.46 -0.07 0.00 -1.93 0.00 0.00 178.83 177.35 1lft h ALA 128 N 0.93 1.84 -0.33 3.38 0.00 -1.01 0.77 119.26 124.85 1lft h ALA 128 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1lft h ALA 128 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1lft h ALA 128 CO -0.01 0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.21 1lft h ALA 129 N 1.93 0.46 -0.18 0.00 0.00 -1.06 -2.94 119.26 117.46 1lft h ALA 129 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1lft h ALA 129 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1lft h ALA 129 CO 0.01 0.34 -0.45 1.88 0.00 0.00 0.00 179.25 181.03 1lft h TYR 130 N 0.44 0.56 -0.75 0.00 0.05 -0.73 -2.95 116.97 113.59 1lft h TYR 130 Ca 0.08 -0.17 0.01 0.00 0.05 0.00 0.00 58.73 58.70 1lft h TYR 130 Cb 0.65 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 1lft h TYR 130 CO 0.06 0.83 0.50 1.96 -1.05 0.00 0.00 178.16 180.46 1lft h GLN 131 N 0.37 0.97 -0.05 4.88 1.08 -0.81 0.27 115.11 121.83 1lft h GLN 131 Ca 0.03 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1lft h GLN 131 Cb 0.94 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1lft h GLN 131 CO 0.08 0.64 0.01 0.87 -0.95 0.00 0.00 178.83 179.49 1lft h LYS 132 N 1.00 0.08 0.31 1.46 1.57 -1.35 0.62 116.57 120.26 1lft h LYS 132 Ca 0.28 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1lft h LYS 132 Cb -0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1lft h LYS 132 CO -0.07 0.28 -0.21 0.28 -0.57 0.00 0.00 179.45 179.17 1lft h VAL 133 N -0.14 0.56 -0.68 0.50 2.07 -1.25 0.23 116.25 117.54 1lft h VAL 133 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1lft h VAL 133 Cb 0.24 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1lft h VAL 133 CO 0.00 0.00 0.45 0.58 0.02 0.00 0.00 177.57 178.62 1lft h VAL 134 N -0.51 0.94 -0.34 2.57 2.07 -0.47 0.79 116.25 121.30 1lft h VAL 134 Ca -0.03 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 1lft h VAL 134 Cb 0.43 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1lft h VAL 134 CO 0.02 0.11 -0.35 0.00 0.02 0.00 0.00 177.57 177.37 1lft h ALA 135 N 1.65 0.76 -0.16 1.67 0.00 -0.06 -2.08 119.26 121.04 1lft h ALA 135 Ca 0.31 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1lft h ALA 135 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1lft h ALA 135 CO -0.10 0.66 -0.43 0.78 0.00 0.00 0.00 179.25 180.16 1lft h GLY 136 N 0.93 0.42 1.31 0.00 0.00 0.16 -2.22 103.07 103.68 1lft h GLY 136 Ca 0.06 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 1lft h GLY 136 CO 0.08 0.38 -0.56 -2.08 0.00 0.00 0.00 176.54 174.36 1lft h VAL 137 N 0.32 1.30 -0.23 4.60 2.07 -0.90 -2.26 116.25 121.15 1lft h VAL 137 Ca 0.03 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.65 1lft h VAL 137 Cb 0.89 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1lft h VAL 137 CO 0.07 0.57 -0.35 0.00 0.02 0.00 0.00 177.57 177.88 1lft h ALA 138 N 0.82 0.97 -0.24 1.67 0.00 -1.26 -2.59 119.26 118.62 1lft h ALA 138 Ca 0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1lft h ALA 138 Cb 1.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1lft h ALA 138 CO 0.12 0.61 -0.41 -0.91 0.00 0.00 0.00 179.25 178.66 1lft h ASN 139 N 0.42 0.77 -0.54 0.00 2.35 -1.37 -2.94 115.58 114.28 1lft h ASN 139 Ca 0.05 -0.53 0.06 0.00 -0.55 0.00 0.00 56.30 55.32 1lft h ASN 139 Cb 0.81 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.91 1lft h ASN 139 CO 0.07 1.15 0.25 0.00 -1.65 0.00 0.00 177.43 177.25 1lft h ALA 140 N 0.64 0.69 -0.38 -0.83 0.00 -1.29 -2.38 119.26 115.71 1lft h ALA 140 Ca 0.02 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1lft h ALA 140 Cb 1.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1lft h ALA 140 CO 0.09 -0.11 -0.15 -0.07 0.00 0.00 0.00 179.25 179.01 1lft h LEU 141 N 0.48 0.70 0.00 0.00 3.38 -1.50 -2.85 115.31 115.52 1lft h LEU 141 Ca 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lft h LEU 141 Cb 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1lft h LEU 141 CO -0.19 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1lft n ALA 142 N -2.49 2.34 -0.17 1.53 0.00 -0.93 -4.11 120.51 116.67 1lft n ALA 142 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1lft n ALA 142 Cb 0.38 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.48 1lft n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1lft h HIS 143 N 0.00 0.03 0.00 0.00 6.17 -1.21 -0.70 115.15 119.44 1lft h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1lft h HIS 143 Cb 0.18 0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1lft h HIS 143 CO 0.00 -0.10 0.00 1.63 0.71 0.00 0.00 177.93 180.18 1lft n LYS 144 N -5.21 0.00 0.09 5.26 4.76 -1.26 -0.90 118.16 120.91 1lft n LYS 144 Ca 0.06 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 1lft n LYS 144 Cb 0.29 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.96 1lft n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1lft n TYR 145 N -1.10 0.88 1.74 2.13 4.01 -0.27 -4.86 117.16 119.69 1lft n TYR 145 Ca 0.00 0.26 0.15 0.00 -0.16 0.00 0.00 57.90 58.15 1lft n TYR 145 Cb 0.00 -0.91 0.73 0.00 -0.31 0.00 0.00 39.34 38.85 1lft n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12