#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrw n HIS 2 N 0.00 0.45 -3.66 3.52 -0.00 -1.26 -4.89 115.22 109.38 3hrw n HIS 2 Ca 0.00 0.80 -0.18 0.00 -0.00 0.00 0.00 57.72 58.33 3hrw n HIS 2 Cb 0.00 -1.57 -0.16 0.00 -0.00 0.00 0.00 29.99 28.26 3hrw n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3hrw s LEU 3 N 0.10 -0.00 0.58 0.27 1.02 -1.26 -5.03 118.68 114.35 3hrw s LEU 3 Ca 0.68 0.19 -0.19 0.00 0.02 0.00 0.00 54.13 54.83 3hrw s LEU 3 Cb -0.95 0.15 -0.06 0.00 0.02 0.00 0.00 46.19 45.35 3hrw s LEU 3 CO 0.43 -0.26 0.98 0.41 0.02 0.00 0.00 176.35 177.93 3hrw n THR 4 N 5.32 3.50 0.02 5.49 -1.04 -1.26 -4.45 114.28 121.85 3hrw n THR 4 Ca -0.04 -0.50 0.21 0.00 -2.04 0.00 0.00 64.05 61.68 3hrw n THR 4 Cb 0.50 -1.17 0.72 0.00 -1.82 0.00 0.00 70.33 68.56 3hrw n THR 4 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3hrw h ASP 5 N 0.67 0.00 0.34 8.00 3.32 -2.01 5.30 116.42 132.04 3hrw h ASP 5 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 3hrw h ASP 5 Cb 1.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3hrw h ASP 5 CO 0.52 0.00 -0.36 0.00 -1.72 0.00 0.00 179.24 177.68 3hrw h ALA 6 N 1.67 1.39 0.23 3.45 0.00 -2.00 -3.01 119.26 120.99 3hrw h ALA 6 Ca 0.24 -0.33 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 3hrw h ALA 6 Cb 1.05 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.81 3hrw h ALA 6 CO -0.00 0.46 -1.44 1.49 0.00 0.00 0.00 179.25 179.75 3hrw h GLU 7 N 0.02 0.48 0.00 0.00 4.81 1.04 -3.09 114.58 117.83 3hrw h GLU 7 Ca -0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 3hrw h GLU 7 Cb 0.64 0.31 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3hrw h GLU 7 CO 0.05 1.39 0.00 1.63 -0.73 0.00 0.00 179.01 181.35 3hrw n LYS 8 N -3.67 0.08 -0.07 1.92 5.02 -0.40 -2.84 118.16 118.20 3hrw n LYS 8 Ca -0.15 0.19 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 3hrw n LYS 8 Cb 1.09 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 34.43 3hrw n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hrw h ALA 9 N 2.63 0.39 0.00 7.82 0.00 -1.44 -3.09 119.26 125.57 3hrw h ALA 9 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3hrw h ALA 9 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hrw h ALA 9 CO 0.00 0.53 -0.87 0.00 0.00 0.00 0.00 179.25 178.91 3hrw h ALA 10 N 0.65 0.66 0.00 0.00 0.00 -1.55 -3.02 119.26 116.00 3hrw h ALA 10 Ca 0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3hrw h ALA 10 Cb 1.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hrw h ALA 10 CO 0.10 0.44 -0.32 -0.24 0.00 0.00 0.00 179.25 179.23 3hrw h VAL 11 N 0.00 1.22 0.11 0.00 3.04 -1.56 -3.01 116.25 116.05 3hrw h VAL 11 Ca -0.05 -1.10 -0.32 0.00 -1.01 0.00 0.00 66.70 64.22 3hrw h VAL 11 Cb 1.28 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 3hrw h VAL 11 CO 0.03 0.31 -1.70 0.28 -1.01 0.00 0.00 177.57 175.49 3hrw h SER 12 N 0.00 0.37 0.03 3.17 0.02 -1.44 -2.86 113.55 112.84 3hrw h SER 12 Ca -0.00 -0.86 -0.24 0.00 -0.84 0.00 0.00 61.79 59.85 3hrw h SER 12 Cb 0.57 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.00 3hrw h SER 12 CO 0.04 1.73 -0.90 0.00 -1.14 0.00 0.00 176.83 176.56 3hrw h LEU 14 N 0.41 0.14 -1.76 0.00 4.07 -1.68 0.44 115.31 116.93 3hrw h LEU 14 Ca -0.08 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.50 3hrw h LEU 14 Cb 1.54 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.24 3hrw h LEU 14 CO 0.17 0.45 -0.11 -0.25 -1.08 0.00 0.00 178.44 177.62 3hrw h TRP 15 N -0.18 0.00 -0.00 1.13 2.91 -1.59 -2.36 115.95 115.86 3hrw h TRP 15 Ca 0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3hrw h TRP 15 Cb 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.04 3hrw h TRP 15 CO 0.05 0.11 -0.04 0.78 -1.03 0.00 0.00 178.44 178.30 3hrw h GLY 16 N 1.26 0.04 1.14 2.65 0.00 -1.08 -3.31 103.07 103.76 3hrw h GLY 16 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3hrw h GLY 16 CO 0.01 0.06 0.00 0.28 0.00 0.00 0.00 176.54 176.89 3hrw n LYS 17 N -4.70 0.15 -4.00 4.80 5.02 0.15 -4.61 118.16 114.97 3hrw n LYS 17 Ca -0.09 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 3hrw n LYS 17 Cb 0.38 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.73 3hrw n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hrw s VAL 18 N -2.14 1.53 0.00 -0.18 0.11 -1.00 -5.05 120.40 113.68 3hrw s VAL 18 Ca 0.07 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3hrw s VAL 18 Cb 0.04 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 3hrw s VAL 18 CO 0.07 0.37 0.05 -3.20 -3.33 0.00 0.00 175.10 169.05 3hrw n ASN 19 N 4.77 0.00 0.00 3.54 2.85 -1.26 -4.81 115.26 120.35 3hrw n ASN 19 Ca -0.16 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 3hrw n ASN 19 Cb 0.49 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.50 3hrw n ASN 19 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3hrw n SER 20 N -1.14 0.00 -0.08 1.20 3.41 -1.26 -4.96 113.62 110.80 3hrw n SER 20 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 3hrw n SER 20 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3hrw n SER 20 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hrw h ASP 21 N 0.00 0.09 0.65 4.04 3.32 -1.97 -3.41 116.42 119.14 3hrw h ASP 21 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.45 3hrw h ASP 21 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3hrw h ASP 21 CO 0.00 1.58 -0.33 -0.62 -1.72 0.00 0.00 179.24 178.15 3hrw n GLU 22 N -4.23 0.04 0.00 3.56 -0.58 -1.26 -3.35 120.64 114.82 3hrw n GLU 22 Ca -0.32 -0.02 -0.12 0.00 -0.42 0.00 0.00 57.16 56.28 3hrw n GLU 22 Cb 0.76 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.07 3hrw n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hrw h VAL 23 N 0.05 1.11 -0.24 2.62 2.07 -1.96 1.73 116.25 121.63 3hrw h VAL 23 Ca 0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3hrw h VAL 23 Cb 0.50 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3hrw h VAL 23 CO 0.00 0.10 0.11 1.23 0.02 0.00 0.00 177.57 179.02 3hrw h GLY 24 N -0.02 0.37 1.18 2.17 0.00 -1.77 2.12 103.07 107.13 3hrw h GLY 24 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 3hrw h GLY 24 CO -0.00 0.18 -0.09 -1.33 0.00 0.00 0.00 176.54 175.30 3hrw h GLY 25 N 0.25 1.04 1.87 4.60 0.00 -1.56 1.30 103.07 110.57 3hrw h GLY 25 Ca 0.08 -0.81 -0.18 0.00 0.00 0.00 0.00 47.33 46.42 3hrw h GLY 25 CO -0.01 0.74 -0.81 -2.09 0.00 0.00 0.00 176.54 174.38 3hrw h GLU 26 N 0.86 0.12 0.12 4.80 4.81 0.29 -2.02 114.58 123.55 3hrw h GLU 26 Ca 0.14 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3hrw h GLU 26 Cb 0.63 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3hrw h GLU 26 CO 0.04 0.86 -0.06 0.00 -0.73 0.00 0.00 179.01 179.13 3hrw h ALA 27 N 1.10 -0.16 0.79 2.92 0.00 0.38 -3.14 119.26 121.16 3hrw h ALA 27 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hrw h ALA 27 Cb 1.41 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.27 3hrw h ALA 27 CO 0.12 -0.37 -0.38 1.25 0.00 0.00 0.00 179.25 179.86 3hrw h LEU 28 N -0.59 -0.90 -1.85 0.00 5.85 0.17 -2.70 115.31 115.29 3hrw h LEU 28 Ca -0.02 0.03 0.27 0.00 0.84 0.00 0.00 57.88 59.00 3hrw h LEU 28 Cb 0.46 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3hrw h LEU 28 CO 0.03 -0.62 0.68 1.23 -0.34 0.00 0.00 178.44 179.42 3hrw h GLY 29 N -1.12 0.29 1.28 3.75 0.00 -1.52 0.56 103.07 106.30 3hrw h GLY 29 Ca -0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 3hrw h GLY 29 CO 0.18 -0.02 -0.08 3.21 0.00 0.00 0.00 176.54 179.83 3hrw h ARG 30 N 0.11 0.86 0.25 4.80 3.08 -1.43 -2.52 114.38 119.53 3hrw h ARG 30 Ca 0.48 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3hrw h ARG 30 Cb 1.72 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.68 3hrw h ARG 30 CO -0.07 0.91 -0.20 1.25 -1.07 0.00 0.00 179.97 180.79 3hrw h LEU 31 N 0.78 -0.51 0.00 3.04 5.85 0.37 0.30 115.31 125.13 3hrw h LEU 31 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hrw h LEU 31 Cb 0.58 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3hrw h LEU 31 CO 0.04 -0.30 0.00 0.00 -0.34 0.00 0.00 178.44 177.83 3hrw n LEU 32 N -5.32 0.00 -0.11 2.25 -0.00 -1.16 0.88 117.00 113.53 3hrw n LEU 32 Ca -0.09 0.15 -0.24 0.00 -0.00 0.00 0.00 56.01 55.83 3hrw n LEU 32 Cb 0.23 -0.15 -0.11 0.00 -0.00 0.00 0.00 43.42 43.39 3hrw n LEU 32 CO 0.32 -0.01 -0.85 0.52 -0.00 0.00 0.00 177.39 177.37 3hrw n VAL 33 N -1.15 1.54 0.08 1.47 0.31 -0.95 -3.74 118.33 115.88 3hrw n VAL 33 Ca 0.18 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3hrw n VAL 33 Cb 0.17 -1.97 -0.08 0.00 -0.91 0.00 0.00 33.84 31.06 3hrw n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hrw h VAL 34 N -0.94 0.96 -3.34 2.52 2.07 -0.29 -3.37 116.25 113.87 3hrw h VAL 34 Ca -0.47 -0.18 -0.62 0.00 0.82 0.00 0.00 66.70 66.24 3hrw h VAL 34 Cb 1.45 1.08 -0.40 0.00 -1.52 0.00 0.00 31.29 31.90 3hrw h VAL 34 CO -0.27 0.05 -0.72 -0.31 0.02 0.00 0.00 177.57 176.34 3hrw s TYR 35 N -5.84 2.71 0.19 1.57 2.02 0.25 -4.97 117.35 113.29 3hrw s TYR 35 Ca -0.14 -2.57 0.16 0.00 -0.37 0.00 0.00 57.07 54.15 3hrw s TYR 35 Cb 0.05 -2.35 0.56 0.00 -0.40 0.00 0.00 41.96 39.81 3hrw s TYR 35 CO 0.65 -0.86 1.69 -1.00 -1.57 0.00 0.00 175.55 174.46 3hrw h PRO 36 N 7.35 0.00 0.00 -1.71 0.13 -1.72 -3.23 132.00 132.81 3hrw h PRO 36 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3hrw h PRO 36 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3hrw h PRO 36 CO 0.53 0.45 0.00 -2.67 -0.23 0.00 0.00 178.00 176.08 3hrw n TRP 37 N -3.60 0.00 1.10 1.56 2.14 -1.26 -0.59 117.44 116.78 3hrw n TRP 37 Ca -0.00 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.69 3hrw n TRP 37 Cb 0.55 -0.25 0.25 0.00 -0.81 0.00 0.00 31.31 31.05 3hrw n TRP 37 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 3hrw n THR 38 N -1.25 0.00 0.43 -1.67 5.66 -1.22 -3.68 114.28 112.54 3hrw n THR 38 Ca 0.01 -0.07 0.13 0.00 -3.05 0.00 0.00 64.05 61.07 3hrw n THR 38 Cb 0.01 0.45 0.40 0.00 -1.55 0.00 0.00 70.33 69.64 3hrw n THR 38 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 3hrw h GLN 39 N 0.67 0.00 0.00 1.09 3.07 -1.09 -3.26 115.11 115.60 3hrw h GLN 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hrw h GLN 39 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 3hrw h GLN 39 CO 0.00 0.00 0.33 0.07 0.09 0.00 0.00 178.83 179.32 3hrw h ARG 40 N 0.00 0.00 -0.64 0.06 0.11 -1.76 1.17 114.38 113.32 3hrw h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hrw h ARG 40 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 3hrw h ARG 40 CO 0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 3hrw n TYR 41 N -2.47 1.65 -2.12 4.08 4.01 -1.23 -4.45 117.16 116.63 3hrw n TYR 41 Ca -0.01 -0.61 0.01 0.00 -0.16 0.00 0.00 57.90 57.13 3hrw n TYR 41 Cb 0.36 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3hrw n TYR 41 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3hrw n PHE 42 N 0.82 0.00 0.98 -0.72 3.72 0.40 -4.91 117.46 117.75 3hrw n PHE 42 Ca 0.25 -0.13 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 3hrw n PHE 42 Cb 0.98 -0.05 0.09 0.00 -0.94 0.00 0.00 39.48 39.56 3hrw n PHE 42 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hrw n ASP 43 N 0.12 0.00 -0.71 4.37 9.92 -1.23 -1.26 116.55 127.75 3hrw n ASP 43 Ca 0.01 -0.88 0.08 0.00 -0.53 0.00 0.00 54.79 53.47 3hrw n ASP 43 Cb 0.80 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.39 3hrw n ASP 43 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3hrw n SER 44 N -0.60 2.60 -0.65 -2.24 3.41 -1.26 -3.66 113.62 111.22 3hrw n SER 44 Ca 0.02 -1.75 0.08 0.00 -0.26 0.00 0.00 58.87 56.96 3hrw n SER 44 Cb 0.01 -0.09 0.27 0.00 -0.26 0.00 0.00 64.21 64.14 3hrw n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hrw n PHE 45 N 0.91 0.36 -1.67 7.33 0.99 -0.39 -5.02 117.46 119.97 3hrw n PHE 45 Ca 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 3hrw n PHE 45 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.91 3hrw n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hrw n GLY 46 N 1.13 2.62 3.51 1.37 0.00 -1.24 -4.63 105.19 107.95 3hrw n GLY 46 Ca 0.15 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3hrw n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hrw n ASP 47 N 1.17 -0.78 -2.26 1.61 -0.08 -1.26 -4.78 116.55 110.17 3hrw n ASP 47 Ca 0.00 -0.46 -0.28 0.00 -1.51 0.00 0.00 54.79 52.54 3hrw n ASP 47 Cb 0.00 -0.72 0.03 0.00 2.34 0.00 0.00 41.12 42.77 3hrw n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3hrw n LEU 48 N 7.76 5.54 0.15 -2.67 4.77 -1.26 -4.44 117.00 126.84 3hrw n LEU 48 Ca 0.65 -4.80 -0.13 0.00 -0.03 0.00 0.00 56.01 51.70 3hrw n LEU 48 Cb 0.15 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3hrw n LEU 48 CO 1.02 2.01 0.73 -1.28 -1.33 0.00 0.00 177.39 178.53 3hrw h SER 49 N 2.31 -0.55 -5.35 -1.43 0.87 -1.95 -3.47 113.55 103.98 3hrw h SER 49 Ca 0.41 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.88 3hrw h SER 49 Cb 1.15 0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 63.17 3hrw h SER 49 CO 0.97 -0.30 -0.40 -0.94 -0.53 0.00 0.00 176.83 175.63 3hrw s SER 50 N -4.82 0.08 0.29 6.23 1.04 -1.26 -5.03 113.70 110.23 3hrw s SER 50 Ca -0.15 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.25 3hrw s SER 50 Cb 0.07 0.43 0.70 0.00 0.10 0.00 0.00 66.02 67.32 3hrw s SER 50 CO 0.65 -0.90 1.64 0.00 0.98 0.00 0.00 173.24 175.61 3hrw h ALA 51 N 2.56 1.24 0.10 5.32 0.00 -1.96 0.25 119.26 126.77 3hrw h ALA 51 Ca -0.32 0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hrw h ALA 51 Cb 1.23 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 3hrw h ALA 51 CO 0.49 -0.48 -0.36 0.66 0.00 0.00 0.00 179.25 179.55 3hrw h SER 52 N 0.17 -1.08 -0.72 0.00 4.64 -1.98 0.21 113.55 114.79 3hrw h SER 52 Ca 0.55 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.97 3hrw h SER 52 Cb 1.11 0.40 -0.03 0.00 -0.31 0.00 0.00 62.40 63.56 3hrw h SER 52 CO -0.69 -0.39 0.39 0.00 -0.87 0.00 0.00 176.83 175.28 3hrw h ALA 53 N -0.89 0.92 0.08 5.18 0.00 -1.69 0.36 119.26 123.22 3hrw h ALA 53 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hrw h ALA 53 Cb 0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hrw h ALA 53 CO -0.19 0.44 -0.21 0.82 0.00 0.00 0.00 179.25 180.11 3hrw h ILE 54 N 0.99 0.52 -0.21 0.00 2.04 -0.30 -1.43 117.51 119.12 3hrw h ILE 54 Ca 0.25 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 3hrw h ILE 54 Cb 0.04 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3hrw h ILE 54 CO -0.04 0.00 0.13 0.24 0.00 0.00 0.00 178.15 178.48 3hrw h MET 55 N -0.38 0.28 -4.22 2.37 2.86 -0.25 -3.33 114.93 112.25 3hrw h MET 55 Ca 0.03 -0.02 -0.75 0.00 -2.06 0.00 0.00 59.70 56.90 3hrw h MET 55 Cb 0.42 -0.06 -0.18 0.00 0.06 0.00 0.00 31.60 31.84 3hrw h MET 55 CO -0.14 0.21 1.53 0.41 1.06 0.00 0.00 176.91 179.99 3hrw n GLY 56 N -1.07 3.94 2.97 8.32 0.00 0.12 -4.75 105.19 114.72 3hrw n GLY 56 Ca -0.03 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 3hrw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hrw s ASN 57 N 1.94 0.37 0.47 1.61 3.84 -1.10 -4.63 114.94 117.44 3hrw s ASN 57 Ca 0.41 0.36 0.13 0.00 0.21 0.00 0.00 52.86 53.97 3hrw s ASN 57 Cb 0.01 0.95 1.08 0.00 -0.55 0.00 0.00 41.25 42.74 3hrw s ASN 57 CO 0.00 -0.28 2.09 0.00 -2.79 0.00 0.00 177.10 176.12 3hrw h ALA 58 N 8.22 1.84 0.00 1.71 0.00 -1.91 -1.09 119.26 128.03 3hrw h ALA 58 Ca -0.17 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3hrw h ALA 58 Cb 1.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3hrw h ALA 58 CO 0.22 0.14 -0.73 -0.22 0.00 0.00 0.00 179.25 178.65 3hrw h LYS 59 N 0.19 0.00 -0.23 0.00 3.64 -1.96 0.72 116.57 118.93 3hrw h LYS 59 Ca 0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3hrw h LYS 59 Cb 0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3hrw h LYS 59 CO -0.01 0.73 0.08 0.28 -2.27 0.00 0.00 179.45 178.26 3hrw h VAL 60 N 0.00 1.19 -0.02 2.00 2.07 -1.64 -2.25 116.25 117.59 3hrw h VAL 60 Ca -0.01 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hrw h VAL 60 Cb 1.50 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3hrw h VAL 60 CO 0.10 0.19 0.01 0.11 0.02 0.00 0.00 177.57 178.00 3hrw h LYS 61 N 0.20 0.03 -0.35 1.57 1.57 -1.08 -1.30 116.57 117.20 3hrw h LYS 61 Ca 0.07 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3hrw h LYS 61 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hrw h LYS 61 CO -0.00 0.05 -0.12 0.00 -0.57 0.00 0.00 179.45 178.81 3hrw h ALA 62 N 0.98 1.14 -0.27 3.86 0.00 0.47 -2.29 119.26 123.16 3hrw h ALA 62 Ca 0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 3hrw h ALA 62 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hrw h ALA 62 CO -0.00 0.54 -0.56 1.25 0.00 0.00 0.00 179.25 180.47 3hrw h HIS 63 N 0.56 1.07 -0.53 0.00 -0.00 -1.38 -2.82 115.15 112.05 3hrw h HIS 63 Ca 0.10 -0.39 0.11 0.00 -0.00 0.00 0.00 60.37 60.19 3hrw h HIS 63 Cb 0.53 -0.20 -0.09 0.00 -0.00 0.00 0.00 27.41 27.65 3hrw h HIS 63 CO 0.02 1.21 -0.03 0.78 -0.00 0.00 0.00 177.93 179.91 3hrw h GLY 64 N 0.72 0.51 0.76 5.26 0.00 -0.70 0.53 103.07 110.15 3hrw h GLY 64 Ca 0.01 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.47 3hrw h GLY 64 CO 0.12 -0.17 0.24 0.50 0.00 0.00 0.00 176.54 177.23 3hrw h LYS 65 N 0.08 0.46 -0.41 4.80 1.57 -1.42 -2.62 116.57 119.03 3hrw h LYS 65 Ca 0.27 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 3hrw h LYS 65 Cb 0.41 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 3hrw h LYS 65 CO -0.47 0.30 0.05 -0.22 -0.57 0.00 0.00 179.45 178.54 3hrw h LYS 66 N 0.47 0.17 0.73 3.15 3.64 -0.06 0.23 116.57 124.90 3hrw h LYS 66 Ca 0.20 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3hrw h LYS 66 Cb 0.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3hrw h LYS 66 CO -0.14 0.11 -0.49 0.28 -2.27 0.00 0.00 179.45 176.94 3hrw h VAL 67 N 0.17 0.02 0.07 2.00 2.07 0.18 -3.07 116.25 117.69 3hrw h VAL 67 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 3hrw h VAL 67 Cb 0.26 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3hrw h VAL 67 CO -0.28 0.00 -0.04 0.16 0.02 0.00 0.00 177.57 177.43 3hrw h ILE 68 N -1.16 0.92 -1.06 4.57 3.07 -1.27 0.87 117.51 123.45 3hrw h ILE 68 Ca -0.10 0.00 0.38 0.00 1.55 0.00 0.00 64.86 66.70 3hrw h ILE 68 Cb 0.94 0.92 -0.16 0.00 -0.27 0.00 0.00 36.82 38.26 3hrw h ILE 68 CO 0.07 0.00 0.61 0.74 -1.05 0.00 0.00 178.15 178.52 3hrw h THR 69 N -0.10 0.14 0.00 0.16 2.02 -0.98 7.28 112.91 121.43 3hrw h THR 69 Ca -0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3hrw h THR 69 Cb 0.08 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3hrw h THR 69 CO 0.01 0.03 -0.73 0.00 0.37 0.00 0.00 175.52 175.20 3hrw h ALA 70 N 1.87 0.64 0.00 6.16 0.00 -1.33 -2.58 119.26 124.03 3hrw h ALA 70 Ca 0.80 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.65 3hrw h ALA 70 Cb 2.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 3hrw h ALA 70 CO -0.64 0.02 -0.19 0.35 0.00 0.00 0.00 179.25 178.79 3hrw h PHE 71 N 0.00 0.00 0.16 0.00 3.57 2.02 -2.91 116.94 119.78 3hrw h PHE 71 Ca -0.00 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.19 3hrw h PHE 71 Cb 1.01 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.76 3hrw h PHE 71 CO 0.00 0.19 -1.47 -0.97 -2.23 0.00 0.00 178.31 173.83 3hrw h ASN 72 N 0.00 0.55 -1.07 0.41 -1.24 0.94 -3.26 115.58 111.90 3hrw h ASN 72 Ca -0.00 -0.66 0.30 0.00 0.71 0.00 0.00 56.30 56.65 3hrw h ASN 72 Cb 0.74 -0.18 -0.12 0.00 0.73 0.00 0.00 38.32 39.49 3hrw h ASN 72 CO 0.02 1.54 0.65 0.44 -1.29 0.00 0.00 177.43 178.80 3hrw h ASP 73 N 0.10 0.49 0.85 1.15 3.32 -1.26 0.19 116.42 121.26 3hrw h ASP 73 Ca -0.23 0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.77 3hrw h ASP 73 Cb 2.06 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.65 3hrw h ASP 73 CO 0.20 -0.01 -0.88 1.23 -1.72 0.00 0.00 179.24 178.07 3hrw h GLY 74 N 0.37 0.01 1.22 2.75 0.00 -1.63 -3.24 103.07 102.55 3hrw h GLY 74 Ca 0.68 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.89 3hrw h GLY 74 CO -0.44 0.02 -0.02 1.41 0.00 0.00 0.00 176.54 177.51 3hrw h LEU 75 N 0.01 0.91 -6.82 3.11 3.38 -0.73 -1.97 115.31 113.19 3hrw h LEU 75 Ca -0.01 -0.25 -0.80 0.00 0.09 0.00 0.00 57.88 56.91 3hrw h LEU 75 Cb 1.55 -0.24 -0.26 0.00 0.09 0.00 0.00 40.66 41.79 3hrw h LEU 75 CO 0.12 0.98 0.99 0.59 0.09 0.00 0.00 178.44 181.20 3hrw n ASN 76 N -4.18 6.27 0.00 -0.43 5.03 -0.46 -4.15 115.26 117.34 3hrw n ASN 76 Ca 0.03 -3.38 0.00 0.00 0.87 0.00 0.00 54.58 52.10 3hrw n ASN 76 Cb 0.34 -1.30 0.00 0.00 -1.02 0.00 0.00 39.78 37.80 3hrw n ASN 76 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3hrw n HIS 77 N 1.65 0.00 -0.31 3.10 8.25 -1.06 -4.85 115.22 122.00 3hrw n HIS 77 Ca 0.29 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.75 3hrw n HIS 77 Cb 0.33 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.50 3hrw n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hrw n LEU 78 N 0.00 -0.46 -0.06 2.41 4.32 -0.76 0.14 117.00 122.58 3hrw n LEU 78 Ca 0.00 1.42 -0.15 0.00 -0.02 0.00 0.00 56.01 57.26 3hrw n LEU 78 Cb 0.00 -0.36 -0.06 0.00 -1.62 0.00 0.00 43.42 41.38 3hrw n LEU 78 CO 0.00 -1.30 0.45 0.44 -1.22 0.00 0.00 177.39 175.76 3hrw h ASP 79 N 0.00 0.71 0.00 -1.43 5.19 -1.90 -3.03 116.42 115.96 3hrw h ASP 79 Ca 0.32 -0.56 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 3hrw h ASP 79 Cb 0.52 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3hrw h ASP 79 CO -0.82 1.14 0.00 -1.54 -3.12 0.00 0.00 179.24 174.90 3hrw n SER 80 N -4.22 2.00 0.00 6.45 3.41 0.12 -4.57 113.62 116.80 3hrw n SER 80 Ca -0.06 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3hrw n SER 80 Cb 0.55 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3hrw n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hrw n LEU 81 N 0.55 0.00 0.00 1.04 -0.00 -1.07 -3.87 117.00 113.65 3hrw n LEU 81 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 3hrw n LEU 81 Cb 0.34 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 3hrw n LEU 81 CO 0.00 -0.19 0.00 0.29 -0.00 0.00 0.00 177.39 177.49 3hrw n LYS 82 N -1.17 0.00 -0.20 1.47 4.01 -1.26 -4.65 118.16 116.36 3hrw n LYS 82 Ca 0.00 0.00 0.23 0.00 -0.51 0.00 0.00 58.31 58.03 3hrw n LYS 82 Cb 0.02 -0.37 0.62 0.00 -0.51 0.00 0.00 35.03 34.79 3hrw n LYS 82 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 3hrw h GLY 83 N 0.00 0.42 -0.75 0.72 0.00 -1.97 -1.90 103.07 99.59 3hrw h GLY 83 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.31 3hrw h GLY 83 CO 0.00 -0.01 -0.45 2.41 0.00 0.00 0.00 176.54 178.50 3hrw n THR 84 N -4.40 -0.51 0.80 4.70 -1.04 -1.26 0.11 114.28 112.69 3hrw n THR 84 Ca 0.18 1.91 0.02 0.00 -2.04 0.00 0.00 64.05 64.12 3hrw n THR 84 Cb 0.81 -2.37 0.08 0.00 -1.82 0.00 0.00 70.33 67.04 3hrw n THR 84 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3hrw n PHE 85 N -4.86 0.40 0.09 -1.42 3.72 -0.72 -4.47 117.46 110.19 3hrw n PHE 85 Ca 0.02 -0.15 -0.09 0.00 -0.05 0.00 0.00 57.45 57.17 3hrw n PHE 85 Cb 0.20 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 3hrw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hrw h ALA 86 N 2.65 -0.85 -2.31 4.37 0.00 0.80 -1.90 119.26 122.03 3hrw h ALA 86 Ca 0.00 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 54.34 3hrw h ALA 86 Cb 0.68 0.66 0.06 0.00 0.00 0.00 0.00 17.79 19.19 3hrw h ALA 86 CO 0.08 -0.91 0.38 -1.54 0.00 0.00 0.00 179.25 177.26 3hrw s SER 87 N -3.63 5.94 0.00 0.00 1.04 -1.26 -3.95 113.70 111.84 3hrw s SER 87 Ca -0.09 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.03 3hrw s SER 87 Cb 0.03 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3hrw s SER 87 CO 0.34 -1.06 0.00 0.18 0.98 0.00 0.00 173.24 173.68 3hrw n LEU 88 N -2.16 0.00 0.15 2.42 4.77 -1.25 -4.59 117.00 116.33 3hrw n LEU 88 Ca 0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 3hrw n LEU 88 Cb 0.53 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.81 3hrw n LEU 88 CO 0.49 0.00 0.59 -1.28 -1.33 0.00 0.00 177.39 175.86 3hrw h SER 89 N 0.00 0.00 0.00 -1.43 0.87 -1.46 -3.28 113.55 108.25 3hrw h SER 89 Ca 0.00 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 3hrw h SER 89 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3hrw h SER 89 CO 0.00 0.02 -0.29 -0.33 -0.53 0.00 0.00 176.83 175.69 3hrw h GLU 90 N 0.00 0.00 0.42 2.24 4.39 -1.79 -3.36 114.58 116.49 3hrw h GLU 90 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3hrw h GLU 90 Cb 0.91 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 3hrw h GLU 90 CO 0.00 0.53 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.94 3hrw h LEU 91 N -1.00 -1.00 -5.55 1.33 -0.00 -1.92 0.11 115.31 107.28 3hrw h LEU 91 Ca -0.06 0.08 -0.55 0.00 -0.00 0.00 0.00 57.88 57.35 3hrw h LEU 91 Cb 0.66 0.33 0.02 0.00 -0.00 0.00 0.00 40.66 41.67 3hrw h LEU 91 CO -0.04 -0.53 2.99 1.41 -0.00 0.00 0.00 178.44 182.28 3hrw n HIS 92 N -5.48 2.02 0.00 1.13 8.25 -1.24 -1.15 115.22 118.75 3hrw n HIS 92 Ca -0.11 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 54.96 3hrw n HIS 92 Cb 0.38 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.46 3hrw n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hrw n ASP 94 N 0.00 2.83 -0.14 0.00 4.64 0.02 -4.12 116.55 119.78 3hrw n ASP 94 Ca 0.00 -0.05 0.06 0.00 -1.38 0.00 0.00 54.79 53.42 3hrw n ASP 94 Cb 0.00 0.08 -0.04 0.00 -1.04 0.00 0.00 41.12 40.12 3hrw n ASP 94 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3hrw n LYS 95 N -2.73 2.44 0.00 -0.67 4.76 -0.90 -4.65 118.16 116.41 3hrw n LYS 95 Ca -0.21 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 54.89 3hrw n LYS 95 Cb 0.77 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.84 3hrw n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hrw n LEU 96 N -0.75 0.18 -3.13 -0.35 4.77 -0.30 -5.02 117.00 112.39 3hrw n LEU 96 Ca 0.04 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.54 3hrw n LEU 96 Cb 0.23 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3hrw n LEU 96 CO 0.21 0.05 0.05 1.41 -1.33 0.00 0.00 177.39 177.77 3hrw n HIS 97 N -0.13 -2.17 -2.63 -1.77 8.25 -1.26 -4.81 115.22 110.70 3hrw n HIS 97 Ca 0.00 0.63 -0.35 0.00 -0.26 0.00 0.00 57.72 57.74 3hrw n HIS 97 Cb 0.10 -4.64 -0.05 0.00 1.12 0.00 0.00 29.99 26.52 3hrw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hrw s VAL 98 N -3.22 3.96 -0.23 1.59 1.01 -1.26 -4.86 120.40 117.40 3hrw s VAL 98 Ca 0.36 1.33 -0.20 0.00 0.00 0.00 0.00 61.98 63.48 3hrw s VAL 98 Cb -0.16 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3hrw s VAL 98 CO 0.45 -0.15 0.58 -0.62 0.00 0.00 0.00 175.10 175.36 3hrw s ASP 99 N -1.88 6.58 0.40 3.32 -1.08 -1.26 -4.46 116.67 118.29 3hrw s ASP 99 Ca 0.62 0.70 0.28 0.00 -0.52 0.00 0.00 52.55 53.63 3hrw s ASP 99 Cb -0.16 -2.32 1.40 0.00 -1.46 0.00 0.00 42.92 40.38 3hrw s ASP 99 CO 0.21 -0.28 1.85 -0.65 0.52 0.00 0.00 175.17 176.81 3hrw h PRO 100 N 7.70 0.00 -0.16 4.34 0.11 -1.95 0.26 132.00 142.30 3hrw h PRO 100 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 3hrw h PRO 100 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3hrw h PRO 100 CO 0.75 0.00 -0.10 1.49 -0.21 0.00 0.00 178.00 179.93 3hrw h GLU 101 N 0.00 0.25 0.00 1.05 4.57 -1.97 -2.54 114.58 115.94 3hrw h GLU 101 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3hrw h GLU 101 Cb 0.14 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3hrw h GLU 101 CO 0.00 0.36 0.00 0.09 -1.18 0.00 0.00 179.01 178.28 3hrw n ASN 102 N -4.30 0.42 -0.07 1.04 5.03 0.91 -1.76 115.26 116.52 3hrw n ASN 102 Ca -0.01 0.60 -0.10 0.00 0.87 0.00 0.00 54.58 55.94 3hrw n ASN 102 Cb 0.25 -0.69 0.04 0.00 -1.02 0.00 0.00 39.78 38.36 3hrw n ASN 102 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 3hrw h PHE 103 N 0.00 0.91 -0.14 3.10 0.04 -1.59 -2.12 116.94 117.15 3hrw h PHE 103 Ca 0.00 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.49 3hrw h PHE 103 Cb 0.34 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3hrw h PHE 103 CO 0.00 1.02 0.01 -0.09 -0.60 0.00 0.00 178.31 178.65 3hrw h ARG 104 N 0.64 0.23 -0.98 1.51 2.43 -1.48 -0.80 114.38 115.93 3hrw h ARG 104 Ca 0.06 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3hrw h ARG 104 Cb 0.91 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.37 3hrw h ARG 104 CO 0.08 0.44 0.63 1.25 -1.51 0.00 0.00 179.97 180.86 3hrw h LEU 105 N -0.01 0.99 -0.46 3.80 5.85 -1.39 1.86 115.31 125.95 3hrw h LEU 105 Ca 0.04 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 3hrw h LEU 105 Cb 0.32 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hrw h LEU 105 CO 0.00 0.62 -0.70 0.25 -0.34 0.00 0.00 178.44 178.28 3hrw h LEU 106 N 1.12 0.42 0.78 2.25 6.46 -1.41 -2.26 115.31 122.68 3hrw h LEU 106 Ca 0.43 -0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3hrw h LEU 106 Cb 0.21 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3hrw h LEU 106 CO -0.18 0.99 -0.37 1.23 -0.62 0.00 0.00 178.44 179.49 3hrw h GLY 107 N 1.36 -1.09 0.98 3.75 0.00 0.15 -1.23 103.07 106.99 3hrw h GLY 107 Ca -0.02 0.41 0.15 0.00 0.00 0.00 0.00 47.33 47.86 3hrw h GLY 107 CO 0.12 -0.40 0.37 3.43 0.00 0.00 0.00 176.54 180.06 3hrw h ASN 108 N -1.10 0.00 -0.25 0.19 -0.26 0.25 -1.92 115.58 112.48 3hrw h ASN 108 Ca -0.11 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.53 3hrw h ASN 108 Cb 0.81 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.07 3hrw h ASN 108 CO 0.18 0.00 -0.26 0.24 -1.06 0.00 0.00 177.43 176.53 3hrw h MET 109 N 0.00 0.63 -0.62 0.81 2.86 -0.81 -2.74 114.93 115.05 3hrw h MET 109 Ca 0.24 -0.33 0.07 0.00 -2.06 0.00 0.00 59.70 57.61 3hrw h MET 109 Cb 0.97 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.59 3hrw h MET 109 CO -0.00 0.93 0.31 0.82 1.06 0.00 0.00 176.91 180.04 3hrw h ILE 110 N 0.34 0.91 -0.58 -1.22 2.04 -0.54 -1.19 117.51 117.27 3hrw h ILE 110 Ca 0.04 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.79 3hrw h ILE 110 Cb 0.82 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3hrw h ILE 110 CO 0.06 0.10 0.22 0.58 0.00 0.00 0.00 178.15 179.12 3hrw h VAL 111 N 0.57 0.81 -0.25 1.67 2.07 -1.26 -0.08 116.25 119.77 3hrw h VAL 111 Ca 0.29 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 3hrw h VAL 111 Cb 0.24 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3hrw h VAL 111 CO -0.21 0.08 -0.22 0.40 0.02 0.00 0.00 177.57 177.63 3hrw h ILE 112 N 0.41 1.25 -0.14 4.57 2.04 -1.18 -3.09 117.51 121.38 3hrw h ILE 112 Ca 0.28 -1.19 -0.18 0.00 1.00 0.00 0.00 64.86 64.77 3hrw h ILE 112 Cb 0.32 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3hrw h ILE 112 CO -0.28 0.38 -0.67 0.58 0.00 0.00 0.00 178.15 178.16 3hrw h VAL 113 N 0.42 1.34 0.00 1.67 2.07 -0.39 -0.48 116.25 120.87 3hrw h VAL 113 Ca 0.07 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 3hrw h VAL 113 Cb 0.62 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3hrw h VAL 113 CO 0.04 0.61 -0.03 -0.07 0.02 0.00 0.00 177.57 178.14 3hrw h LEU 114 N 0.39 0.00 0.00 2.57 3.38 -0.97 -1.66 115.31 119.02 3hrw h LEU 114 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hrw h LEU 114 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hrw h LEU 114 CO 0.12 0.03 -1.92 0.61 0.09 0.00 0.00 178.44 177.38 3hrw n GLY 115 N -0.99 -0.94 0.15 0.83 0.00 -1.05 -3.36 105.19 99.82 3hrw n GLY 115 Ca -0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 3hrw n GLY 115 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hrw h HIS 116 N 0.00 -0.28 -0.00 1.61 6.17 -0.77 -1.89 115.15 119.99 3hrw h HIS 116 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 3hrw h HIS 116 Cb 0.93 0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.95 3hrw h HIS 116 CO 0.00 -0.16 0.00 0.72 0.71 0.00 0.00 177.93 179.20 3hrw n HIS 117 N -5.21 0.00 0.00 5.26 -0.00 -0.65 -3.59 115.22 111.03 3hrw n HIS 117 Ca -0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 3hrw n HIS 117 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 3hrw n HIS 117 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3hrw n LEU 118 N -0.88 0.00 0.00 2.41 4.32 -1.21 -5.03 117.00 116.60 3hrw n LEU 118 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3hrw n LEU 118 Cb 0.11 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3hrw n LEU 118 CO 0.16 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 3hrw n GLY 119 N 1.07 2.41 0.00 -0.72 0.00 -0.71 -1.54 105.19 105.70 3hrw n GLY 119 Ca 0.00 0.38 0.03 0.00 0.00 0.00 0.00 46.02 46.43 3hrw n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hrw n LYS 120 N 6.97 0.00 0.00 1.61 3.00 -1.26 -2.52 118.16 125.96 3hrw n LYS 120 Ca 0.00 0.37 0.14 0.00 -0.00 0.00 0.00 58.31 58.82 3hrw n LYS 120 Cb 0.00 -1.50 0.52 0.00 0.00 0.00 0.00 35.03 34.05 3hrw n LYS 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hrw n ASP 121 N -1.49 0.93 -4.39 3.14 8.00 -0.59 -4.55 116.55 117.59 3hrw n ASP 121 Ca 0.02 -0.98 -0.45 0.00 0.71 0.00 0.00 54.79 54.09 3hrw n ASP 121 Cb 0.08 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 3hrw n ASP 121 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hrw s PHE 122 N -2.32 3.04 0.53 1.24 5.36 -1.05 -4.93 117.98 119.86 3hrw s PHE 122 Ca 0.31 -1.07 -0.18 0.00 -0.96 0.00 0.00 56.93 55.03 3hrw s PHE 122 Cb 0.20 -4.07 -0.07 0.00 -0.34 0.00 0.00 43.02 38.74 3hrw s PHE 122 CO 0.45 -1.34 1.03 0.99 -1.46 0.00 0.00 175.22 174.89 3hrw s THR 123 N 2.62 3.93 0.36 0.12 2.01 -1.26 -4.83 115.64 118.59 3hrw s THR 123 Ca 0.16 1.05 0.11 0.00 0.31 0.00 0.00 61.69 63.32 3hrw s THR 123 Cb -0.19 -3.47 0.34 0.00 0.01 0.00 0.00 72.50 69.19 3hrw s THR 123 CO 0.03 -0.41 1.83 -0.65 -0.69 0.00 0.00 174.62 174.74 3hrw h PRO 124 N 1.06 0.60 0.61 4.92 0.11 -1.97 0.74 132.00 138.07 3hrw h PRO 124 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3hrw h PRO 124 Cb 1.21 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3hrw h PRO 124 CO 0.59 0.40 -0.30 0.00 -0.21 0.00 0.00 178.00 178.48 3hrw h ALA 125 N 1.61 -0.82 -0.73 -0.75 0.00 -1.98 -0.09 119.26 116.49 3hrw h ALA 125 Ca 0.50 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.38 3hrw h ALA 125 Cb 0.95 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3hrw h ALA 125 CO -0.26 -0.85 0.50 0.00 0.00 0.00 0.00 179.25 178.64 3hrw h ALA 126 N -0.82 2.35 -0.35 0.00 0.00 -1.78 0.31 119.26 118.97 3hrw h ALA 126 Ca -0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hrw h ALA 126 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hrw h ALA 126 CO 0.14 -0.56 -0.08 0.37 0.00 0.00 0.00 179.25 179.12 3hrw h GLN 127 N 0.23 0.67 0.00 0.00 4.15 0.62 -2.90 115.11 117.87 3hrw h GLN 127 Ca 0.36 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3hrw h GLN 127 Cb 1.07 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 3hrw h GLN 127 CO -0.08 0.83 -0.16 0.00 -1.93 0.00 0.00 178.83 177.49 3hrw h ALA 128 N 0.82 1.11 0.56 3.38 0.00 0.15 -1.23 119.26 124.05 3hrw h ALA 128 Ca 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hrw h ALA 128 Cb 0.58 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hrw h ALA 128 CO 0.03 0.20 -0.27 0.00 0.00 0.00 0.00 179.25 179.22 3hrw h ALA 129 N 1.84 -0.75 -0.09 0.00 0.00 -0.89 -3.08 119.26 116.29 3hrw h ALA 129 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hrw h ALA 129 Cb 0.55 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3hrw h ALA 129 CO 0.02 -0.87 -0.10 0.74 0.00 0.00 0.00 179.25 179.04 3hrw h PHE 130 N -0.85 0.14 -0.89 0.00 0.04 -1.36 -2.66 116.94 111.36 3hrw h PHE 130 Ca -0.08 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3hrw h PHE 130 Cb 0.61 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 3hrw h PHE 130 CO -0.02 0.25 0.54 1.96 -0.60 0.00 0.00 178.31 180.43 3hrw h GLN 131 N 0.14 1.21 -0.36 1.51 1.08 -1.15 1.08 115.11 118.62 3hrw h GLN 131 Ca 0.03 -0.11 -0.13 0.00 -1.45 0.00 0.00 58.65 56.99 3hrw h GLN 131 Cb 0.27 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3hrw h GLN 131 CO 0.02 0.85 -0.30 -0.22 -0.95 0.00 0.00 178.83 178.23 3hrw h LYS 132 N 1.23 0.77 -0.41 1.46 3.64 -1.49 0.59 116.57 122.36 3hrw h LYS 132 Ca 0.32 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3hrw h LYS 132 Cb -0.05 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3hrw h LYS 132 CO -0.06 0.97 0.17 0.28 -2.27 0.00 0.00 179.45 178.54 3hrw h VAL 133 N 0.65 1.19 0.37 2.00 2.07 -0.77 0.14 116.25 121.90 3hrw h VAL 133 Ca 0.08 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3hrw h VAL 133 Cb 0.83 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3hrw h VAL 133 CO 0.07 0.21 -0.18 0.58 0.02 0.00 0.00 177.57 178.27 3hrw h VAL 134 N 0.51 0.62 -1.00 2.57 2.07 0.12 -3.00 116.25 118.14 3hrw h VAL 134 Ca 0.14 -0.43 0.15 0.00 0.82 0.00 0.00 66.70 67.37 3hrw h VAL 134 Cb 0.17 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 3hrw h VAL 134 CO -0.01 0.08 0.61 0.00 0.02 0.00 0.00 177.57 178.27 3hrw h ALA 135 N -0.24 1.57 0.55 1.67 0.00 -0.75 0.15 119.26 122.20 3hrw h ALA 135 Ca -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hrw h ALA 135 Cb 0.51 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hrw h ALA 135 CO 0.08 0.10 -0.26 0.78 0.00 0.00 0.00 179.25 179.95 3hrw h GLY 136 N 0.88 -0.77 0.68 0.00 0.00 -0.68 0.41 103.07 103.60 3hrw h GLY 136 Ca 0.53 0.29 0.02 0.00 0.00 0.00 0.00 47.33 48.17 3hrw h GLY 136 CO -0.32 -0.28 -0.12 -2.08 0.00 0.00 0.00 176.54 173.74 3hrw h VAL 137 N -0.81 0.70 -0.96 4.60 2.07 -1.34 0.14 116.25 120.65 3hrw h VAL 137 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 3hrw h VAL 137 Cb 0.59 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 3hrw h VAL 137 CO 0.12 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.30 3hrw h ALA 138 N 0.80 1.43 -0.05 1.67 0.00 -0.48 0.39 119.26 123.02 3hrw h ALA 138 Ca 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3hrw h ALA 138 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hrw h ALA 138 CO -0.13 0.19 -0.74 1.15 0.00 0.00 0.00 179.25 179.72 3hrw h THR 139 N 0.94 1.42 -0.00 0.00 2.02 -0.02 -3.07 112.91 114.20 3hrw h THR 139 Ca 0.47 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 65.42 3hrw h THR 139 Cb 0.46 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 3hrw h THR 139 CO -0.26 0.66 -0.02 0.00 0.37 0.00 0.00 175.52 176.27 3hrw n ALA 140 N -2.48 2.47 -0.00 6.16 0.00 0.66 -3.08 120.51 124.24 3hrw n ALA 140 Ca -0.03 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.30 3hrw n ALA 140 Cb 0.71 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 3hrw n ALA 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hrw n LEU 141 N -1.36 0.38 -3.23 0.00 7.99 0.10 -4.46 117.00 116.43 3hrw n LEU 141 Ca 0.11 0.16 -0.29 0.00 -0.01 0.00 0.00 56.01 55.98 3hrw n LEU 141 Cb 0.29 0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.67 3hrw n LEU 141 CO 0.25 0.13 0.26 0.00 -1.51 0.00 0.00 177.39 176.52 3hrw n ALA 142 N -2.40 4.57 0.00 -1.18 0.00 -1.18 -4.27 120.51 116.05 3hrw n ALA 142 Ca -0.11 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.59 3hrw n ALA 142 Cb 0.78 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3hrw n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hrw n HIS 143 N 0.27 0.00 -2.07 0.00 -0.00 -1.26 -4.93 115.22 107.23 3hrw n HIS 143 Ca 0.31 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.61 3hrw n HIS 143 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.35 3hrw n HIS 143 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3hrw s LYS 144 N -1.97 3.94 -0.27 1.57 -0.14 -1.26 -4.82 119.74 116.79 3hrw s LYS 144 Ca 0.00 1.88 0.10 0.00 -1.36 0.00 0.00 55.97 56.59 3hrw s LYS 144 Cb 0.00 -4.02 0.32 0.00 -1.68 0.00 0.00 37.83 32.45 3hrw s LYS 144 CO 0.00 -1.13 1.32 0.66 -0.76 0.00 0.00 175.35 175.44 3hrw n TYR 145 N 7.99 -1.62 -0.15 3.18 4.01 -1.26 -5.02 117.16 124.29 3hrw n TYR 145 Ca 0.18 -1.35 0.00 0.00 -0.16 0.00 0.00 57.90 56.58 3hrw n TYR 145 Cb 0.44 1.35 0.00 0.00 -0.31 0.00 0.00 39.34 40.82 3hrw n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01