#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrw n LEU 2 N 0.00 -6.67 -4.32 7.52 4.32 -1.26 -5.06 117.00 111.52 3hrw n LEU 2 Ca 0.00 0.01 -0.28 0.00 -0.02 0.00 0.00 56.01 55.72 3hrw n LEU 2 Cb 0.00 -3.20 -0.14 0.00 -1.62 0.00 0.00 43.42 38.47 3hrw n LEU 2 CO 0.00 -1.22 -0.55 -0.44 -1.22 0.00 0.00 177.39 173.96 3hrw s SER 3 N -2.89 2.94 0.00 -1.43 0.01 -1.26 -4.91 113.70 106.16 3hrw s SER 3 Ca 0.03 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.66 3hrw s SER 3 Cb -0.01 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 3hrw s SER 3 CO 0.71 0.18 0.00 0.61 0.41 0.00 0.00 173.24 175.15 3hrw n GLY 4 N 1.45 0.00 0.16 3.44 0.00 -1.26 0.83 105.19 109.81 3hrw n GLY 4 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 3hrw n GLY 4 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hrw h GLU 5 N 0.00 0.08 -0.43 1.61 3.07 -1.99 0.18 114.58 117.11 3hrw h GLU 5 Ca 0.00 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 3hrw h GLU 5 Cb 0.00 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 27.80 3hrw h GLU 5 CO 0.00 0.06 -0.38 -0.44 -1.40 0.00 0.00 179.01 176.85 3hrw h ASP 6 N 0.09 -1.26 -0.43 1.42 5.19 0.06 0.19 116.42 121.68 3hrw h ASP 6 Ca 0.19 0.21 0.05 0.00 -0.62 0.00 0.00 57.03 56.86 3hrw h ASP 6 Cb 0.27 0.57 -0.04 0.00 0.18 0.00 0.00 39.33 40.31 3hrw h ASP 6 CO -0.33 -0.34 0.17 0.11 -3.12 0.00 0.00 179.24 175.73 3hrw h LYS 7 N -0.28 0.34 0.06 3.56 1.57 -1.41 2.32 116.57 122.73 3hrw h LYS 7 Ca 0.16 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3hrw h LYS 7 Cb 0.56 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3hrw h LYS 7 CO -0.58 0.23 -0.33 1.03 -0.57 0.00 0.00 179.45 179.23 3hrw h SER 8 N 0.35 -1.01 -0.54 0.86 0.87 0.06 0.68 113.55 114.82 3hrw h SER 8 Ca 0.19 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 3hrw h SER 8 Cb 0.16 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3hrw h SER 8 CO -0.18 -0.35 0.12 0.78 -0.53 0.00 0.00 176.83 176.68 3hrw h ASN 9 N -0.46 0.83 -0.81 6.23 -0.26 -0.33 1.19 115.58 121.97 3hrw h ASN 9 Ca -0.00 -0.24 -0.00 0.00 -0.56 0.00 0.00 56.30 55.50 3hrw h ASN 9 Cb 0.47 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 3hrw h ASN 9 CO -0.19 0.86 0.50 0.40 -1.06 0.00 0.00 177.43 177.94 3hrw h ILE 10 N 0.77 1.22 0.16 2.81 2.04 0.40 -1.22 117.51 123.69 3hrw h ILE 10 Ca 0.17 -0.47 -0.33 0.00 1.00 0.00 0.00 64.86 65.23 3hrw h ILE 10 Cb 0.36 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3hrw h ILE 10 CO 0.00 0.23 -1.66 0.11 0.00 0.00 0.00 178.15 176.83 3hrw h LYS 11 N 1.11 0.33 0.00 2.37 1.57 -0.70 -3.30 116.57 117.95 3hrw h LYS 11 Ca 0.29 -0.57 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 3hrw h LYS 11 Cb -0.07 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3hrw h LYS 11 CO -0.06 1.22 -0.19 0.00 -0.57 0.00 0.00 179.45 179.86 3hrw h ALA 12 N 0.28 1.13 0.00 3.86 0.00 0.16 -2.92 119.26 121.77 3hrw h ALA 12 Ca -0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hrw h ALA 12 Cb 2.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3hrw h ALA 12 CO 0.17 0.24 -1.96 0.00 0.00 0.00 0.00 179.25 177.69 3hrw n ALA 13 N -2.25 2.83 1.58 0.00 0.00 -0.48 -4.01 120.51 118.19 3hrw n ALA 13 Ca -0.01 -0.52 0.14 0.00 0.00 0.00 0.00 53.44 53.05 3hrw n ALA 13 Cb 0.35 -0.76 0.78 0.00 0.00 0.00 0.00 19.45 19.82 3hrw n ALA 13 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3hrw n TRP 14 N -2.26 0.00 -0.11 0.00 -0.00 -1.11 -2.93 117.44 111.04 3hrw n TRP 14 Ca -0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.22 3hrw n TRP 14 Cb 0.57 -0.10 -0.11 0.00 -0.00 0.00 0.00 31.31 31.66 3hrw n TRP 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hrw n GLY 15 N 0.84 -0.65 0.37 5.87 0.00 -1.21 -4.01 105.19 106.40 3hrw n GLY 15 Ca 0.18 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3hrw n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrw h LYS 16 N -0.84 0.00 0.11 1.61 1.79 -1.66 2.02 116.57 119.60 3hrw h LYS 16 Ca -0.50 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.69 3hrw h LYS 16 Cb 1.52 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.17 3hrw h LYS 16 CO -0.25 0.00 -1.35 0.82 -1.08 0.00 0.00 179.45 177.59 3hrw h ILE 17 N 0.00 1.36 0.00 1.86 2.04 -1.70 -3.49 117.51 117.59 3hrw h ILE 17 Ca 0.10 -2.98 0.00 0.00 1.00 0.00 0.00 64.86 62.99 3hrw h ILE 17 Cb 1.92 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 40.85 3hrw h ILE 17 CO -0.00 0.86 0.00 0.61 0.00 0.00 0.00 178.15 179.62 3hrw n GLY 18 N 1.57 1.14 0.00 5.37 0.00 0.68 -0.17 105.19 113.78 3hrw n GLY 18 Ca -0.11 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.54 3hrw n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrw n GLY 19 N 0.00 -0.29 0.09 -0.02 0.00 -1.26 -2.86 105.19 100.85 3hrw n GLY 19 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3hrw n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hrw n HIS 20 N -0.83 0.81 -0.31 1.61 -0.00 0.75 -4.22 115.22 113.03 3hrw n HIS 20 Ca 0.05 0.24 0.25 0.00 -0.00 0.00 0.00 57.72 58.25 3hrw n HIS 20 Cb 0.02 -0.86 0.55 0.00 -0.00 0.00 0.00 29.99 29.71 3hrw n HIS 20 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3hrw h GLY 21 N 4.54 0.95 1.58 -1.41 0.00 -1.58 -0.76 103.07 106.39 3hrw h GLY 21 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 47.33 46.90 3hrw h GLY 21 CO 0.00 -0.10 -1.19 0.00 0.00 0.00 0.00 176.54 175.25 3hrw h ALA 22 N 1.59 0.14 0.00 3.60 0.00 -1.80 0.55 119.26 123.33 3hrw h ALA 22 Ca 0.57 -0.84 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3hrw h ALA 22 Cb 1.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3hrw h ALA 22 CO -0.23 0.91 -0.46 1.05 0.00 0.00 0.00 179.25 180.52 3hrw h GLU 23 N 0.12 0.00 -0.22 0.00 9.09 -1.72 0.72 114.58 122.58 3hrw h GLU 23 Ca -0.13 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.15 3hrw h GLU 23 Cb 1.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.99 3hrw h GLU 23 CO 0.20 0.46 -0.38 1.88 0.05 0.00 0.00 179.01 181.22 3hrw h TYR 24 N 0.00 0.81 -0.15 2.06 -1.99 -0.94 0.15 116.97 116.91 3hrw h TYR 24 Ca -0.00 -0.28 -0.06 0.00 2.00 0.00 0.00 58.73 60.38 3hrw h TYR 24 Cb 0.86 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 3hrw h TYR 24 CO 0.00 1.04 -0.18 0.78 -0.00 0.00 0.00 178.16 179.80 3hrw h GLY 25 N 0.34 0.27 0.72 3.88 0.00 0.32 0.02 103.07 108.63 3hrw h GLY 25 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3hrw h GLY 25 CO 0.09 0.17 -0.03 0.00 0.00 0.00 0.00 176.54 176.76 3hrw h ALA 26 N 1.59 0.15 -0.60 3.60 0.00 -0.73 -2.96 119.26 120.31 3hrw h ALA 26 Ca 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3hrw h ALA 26 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hrw h ALA 26 CO 0.03 -0.10 0.11 1.49 0.00 0.00 0.00 179.25 180.78 3hrw h GLU 27 N -0.11 0.96 -0.57 0.00 4.81 -0.13 -1.96 114.58 117.59 3hrw h GLU 27 Ca 0.03 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3hrw h GLU 27 Cb 0.45 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3hrw h GLU 27 CO 0.01 0.88 0.10 0.00 -0.73 0.00 0.00 179.01 179.27 3hrw h ALA 28 N 1.21 0.76 -0.25 2.92 0.00 -1.09 -1.40 119.26 121.40 3hrw h ALA 28 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hrw h ALA 28 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hrw h ALA 28 CO 0.01 0.50 0.03 -0.07 0.00 0.00 0.00 179.25 179.71 3hrw h LEU 29 N 0.84 0.41 -1.21 0.00 3.38 -1.32 -2.44 115.31 114.97 3hrw h LEU 29 Ca 0.17 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3hrw h LEU 29 Cb 0.41 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hrw h LEU 29 CO 0.01 0.59 -0.15 -0.08 0.09 0.00 0.00 178.44 178.90 3hrw h GLU 30 N 0.23 0.36 0.05 1.13 4.81 -1.28 -2.71 114.58 117.17 3hrw h GLU 30 Ca 0.08 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hrw h GLU 30 Cb 0.36 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3hrw h GLU 30 CO 0.01 0.51 -0.02 0.00 -0.73 0.00 0.00 179.01 178.78 3hrw h ARG 31 N 0.34 -0.06 -0.73 1.92 3.08 -0.92 -3.09 114.38 114.91 3hrw h ARG 31 Ca 0.06 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.20 3hrw h ARG 31 Cb 0.47 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 3hrw h ARG 31 CO 0.03 0.06 -0.54 1.98 -1.07 0.00 0.00 179.97 180.43 3hrw h MET 32 N -0.18 -0.17 -0.58 0.04 4.05 -1.13 -2.25 114.93 114.72 3hrw h MET 32 Ca -0.01 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 3hrw h MET 32 Cb 0.15 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 30.91 3hrw h MET 32 CO 0.01 -0.11 0.11 0.74 0.23 0.00 0.00 176.91 177.89 3hrw h PHE 33 N -0.17 0.17 -0.24 1.39 0.04 -1.45 1.02 116.94 117.71 3hrw h PHE 33 Ca 0.15 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 3hrw h PHE 33 Cb 0.51 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3hrw h PHE 33 CO -0.86 -0.04 0.12 0.00 -0.60 0.00 0.00 178.31 176.94 3hrw h ALA 34 N 1.46 0.31 0.00 2.45 0.00 -1.42 -2.80 119.26 119.26 3hrw h ALA 34 Ca 0.30 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3hrw h ALA 34 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hrw h ALA 34 CO -0.39 -0.15 -0.76 0.77 0.00 0.00 0.00 179.25 178.72 3hrw h SER 35 N 0.27 0.00 -2.97 0.00 0.02 -0.75 -3.39 113.55 106.72 3hrw h SER 35 Ca 0.08 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.51 3hrw h SER 35 Cb 0.09 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.23 3hrw h SER 35 CO -0.01 0.66 -0.77 -0.36 -1.14 0.00 0.00 176.83 175.21 3hrw s PHE 36 N -2.88 0.64 -0.55 3.45 0.08 0.35 -4.99 117.98 114.08 3hrw s PHE 36 Ca 0.02 -0.92 0.26 0.00 0.12 0.00 0.00 56.93 56.41 3hrw s PHE 36 Cb 0.08 -1.02 0.80 0.00 -0.57 0.00 0.00 43.02 42.31 3hrw s PHE 36 CO 0.77 -0.75 1.75 -1.35 -0.10 0.00 0.00 175.22 175.55 3hrw h PRO 37 N 8.33 0.00 -0.47 0.24 0.11 -1.69 -3.22 132.00 135.31 3hrw h PRO 37 Ca -0.17 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.82 3hrw h PRO 37 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3hrw h PRO 37 CO 0.40 0.00 -0.17 1.15 -0.21 0.00 0.00 178.00 179.17 3hrw h THR 38 N 0.00 1.27 0.00 -1.15 2.02 -1.92 -2.96 112.91 110.17 3hrw h THR 38 Ca 0.00 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.87 3hrw h THR 38 Cb 0.69 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3hrw h THR 38 CO 0.00 0.45 0.20 0.71 0.37 0.00 0.00 175.52 177.25 3hrw h THR 39 N 0.80 0.00 0.00 3.16 1.35 -1.89 0.20 112.91 116.52 3hrw h THR 39 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.97 3hrw h THR 39 Cb 0.72 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3hrw h THR 39 CO 0.05 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 175.40 3hrw h LYS 40 N 0.00 0.00 -0.20 4.72 1.57 -1.72 -3.29 116.57 117.65 3hrw h LYS 40 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3hrw h LYS 40 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3hrw h LYS 40 CO 0.00 0.03 0.14 1.15 -0.57 0.00 0.00 179.45 180.20 3hrw h THR 41 N 0.00 1.03 -0.01 -0.16 2.02 -0.79 -2.40 112.91 112.60 3hrw h THR 41 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hrw h THR 41 Cb 0.63 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3hrw h THR 41 CO 0.00 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.72 3hrw n TYR 42 N -4.51 0.00 -2.60 3.16 4.01 -1.24 -4.12 117.16 111.87 3hrw n TYR 42 Ca 0.00 -0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 3hrw n TYR 42 Cb 0.10 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.16 3hrw n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3hrw n PHE 43 N -0.47 1.87 0.58 -0.72 3.72 -0.90 -4.90 117.46 116.63 3hrw n PHE 43 Ca 0.22 -2.76 0.13 0.00 -0.05 0.00 0.00 57.45 54.98 3hrw n PHE 43 Cb 0.22 -0.28 0.38 0.00 -0.94 0.00 0.00 39.48 38.86 3hrw n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hrw h PRO 44 N 2.79 0.00 0.03 -1.08 0.13 -1.72 -2.93 132.00 129.22 3hrw h PRO 44 Ca 0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.94 3hrw h PRO 44 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3hrw h PRO 44 CO 0.57 0.00 -1.03 1.12 -0.23 0.00 0.00 178.00 178.43 3hrw h HIS 45 N 0.00 0.12 -4.12 1.56 2.07 -1.93 -3.46 115.15 109.38 3hrw h HIS 45 Ca 0.00 -0.08 -0.51 0.00 -2.85 0.00 0.00 60.37 56.93 3hrw h HIS 45 Cb 0.77 -0.01 0.09 0.00 2.57 0.00 0.00 27.41 30.84 3hrw h HIS 45 CO 0.00 1.05 0.42 -0.06 -3.07 0.00 0.00 177.93 176.27 3hrw s PHE 46 N -2.75 2.56 -0.56 6.12 0.40 -1.11 -5.00 117.98 117.64 3hrw s PHE 46 Ca -0.00 1.54 -0.18 0.00 -0.60 0.00 0.00 56.93 57.69 3hrw s PHE 46 Cb 0.09 -3.31 0.09 0.00 0.51 0.00 0.00 43.02 40.41 3hrw s PHE 46 CO 0.83 -1.80 0.64 0.34 0.70 0.00 0.00 175.22 175.93 3hrw s ASP 47 N -1.96 6.19 0.00 1.36 2.15 -1.26 -4.96 116.67 118.19 3hrw s ASP 47 Ca 0.72 -1.34 0.28 0.00 0.43 0.00 0.00 52.55 52.65 3hrw s ASP 47 Cb -0.25 -2.28 1.37 0.00 -0.30 0.00 0.00 42.92 41.46 3hrw s ASP 47 CO 0.33 -1.00 1.96 0.52 -0.17 0.00 0.00 175.17 176.81 3hrw n VAL 48 N 5.50 0.07 -0.78 1.11 0.31 -1.26 -4.61 118.33 118.67 3hrw n VAL 48 Ca -0.10 0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 63.94 3hrw n VAL 48 Cb 0.43 -0.54 0.16 0.00 -0.91 0.00 0.00 33.84 32.97 3hrw n VAL 48 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hrw s SER 49 N -2.70 3.13 0.10 4.52 1.04 -1.26 -4.89 113.70 113.64 3hrw s SER 49 Ca 0.23 2.16 -0.22 0.00 0.48 0.00 0.00 55.95 58.60 3hrw s SER 49 Cb 0.19 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.69 3hrw s SER 49 CO 0.46 -2.97 1.38 -0.74 0.98 0.00 0.00 173.24 172.35 3hrw h HIS 50 N -1.73 -1.27 -0.12 5.02 -0.00 -2.01 -2.05 115.15 112.98 3hrw h HIS 50 Ca -0.43 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3hrw h HIS 50 Cb 1.27 0.62 0.00 0.00 -0.00 0.00 0.00 27.41 29.30 3hrw h HIS 50 CO 0.51 -0.29 0.00 0.41 -0.00 0.00 0.00 177.93 178.56 3hrw n GLY 51 N -1.21 -0.35 3.62 5.26 0.00 -1.26 -4.96 105.19 106.29 3hrw n GLY 51 Ca -0.00 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 3hrw n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hrw n SER 52 N -0.15 1.93 0.18 1.61 2.88 -0.78 -4.85 113.62 114.45 3hrw n SER 52 Ca 0.08 1.15 0.04 0.00 -1.33 0.00 0.00 58.87 58.81 3hrw n SER 52 Cb 0.14 -1.32 0.34 0.00 -0.75 0.00 0.00 64.21 62.61 3hrw n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hrw h ALA 53 N 3.38 1.10 0.31 -1.46 0.00 -1.91 -1.67 119.26 119.02 3hrw h ALA 53 Ca -0.43 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 3hrw h ALA 53 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hrw h ALA 53 CO 0.70 0.51 -0.15 1.96 0.00 0.00 0.00 179.25 182.27 3hrw h GLN 54 N 0.00 -0.41 -0.43 0.00 4.20 -1.91 0.66 115.11 117.22 3hrw h GLN 54 Ca -0.00 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.80 3hrw h GLN 54 Cb 0.84 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.66 3hrw h GLN 54 CO 0.05 -0.08 0.12 0.28 -0.67 0.00 0.00 178.83 178.53 3hrw h VAL 55 N -0.79 0.81 -0.02 -0.54 2.07 -1.83 2.19 116.25 118.14 3hrw h VAL 55 Ca -0.04 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.41 3hrw h VAL 55 Cb 0.51 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3hrw h VAL 55 CO 0.07 0.05 -0.10 0.11 0.02 0.00 0.00 177.57 177.72 3hrw h LYS 56 N 0.26 -0.16 -0.74 1.57 1.79 -1.36 0.80 116.57 118.73 3hrw h LYS 56 Ca 0.21 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.74 3hrw h LYS 56 Cb 0.23 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 3hrw h LYS 56 CO -0.24 -0.11 0.45 0.78 -1.08 0.00 0.00 179.45 179.25 3hrw h GLY 57 N -0.17 1.09 2.00 3.86 0.00 0.15 -2.11 103.07 107.89 3hrw h GLY 57 Ca 0.05 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 3hrw h GLY 57 CO -0.12 0.23 -0.53 0.84 0.00 0.00 0.00 176.54 176.97 3hrw h HIS 58 N 0.84 0.00 0.00 5.60 -0.00 0.39 -3.06 115.15 118.91 3hrw h HIS 58 Ca 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.63 3hrw h HIS 58 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 3hrw h HIS 58 CO -0.05 0.53 -0.28 0.78 -0.00 0.00 0.00 177.93 178.91 3hrw h GLY 59 N 2.45 0.00 2.00 5.26 0.00 0.13 -2.44 103.07 110.47 3hrw h GLY 59 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3hrw h GLY 59 CO 0.07 0.00 -0.63 0.50 0.00 0.00 0.00 176.54 176.48 3hrw h LYS 60 N 0.00 0.00 0.03 4.80 1.57 -1.36 -0.56 116.57 121.05 3hrw h LYS 60 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hrw h LYS 60 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3hrw h LYS 60 CO 0.04 0.63 -0.01 0.87 -0.57 0.00 0.00 179.45 180.40 3hrw h LYS 61 N 0.00 -0.03 0.00 3.15 1.57 -1.52 -2.24 116.57 117.50 3hrw h LYS 61 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hrw h LYS 61 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3hrw h LYS 61 CO 0.08 0.67 0.00 1.55 -0.57 0.00 0.00 179.45 181.19 3hrw n VAL 62 N -4.74 1.19 -0.03 0.50 3.14 -0.96 -0.46 118.33 116.97 3hrw n VAL 62 Ca -0.09 0.46 -0.15 0.00 -2.96 0.00 0.00 64.34 61.60 3hrw n VAL 62 Cb 0.35 -1.40 -0.12 0.00 -1.06 0.00 0.00 33.84 31.61 3hrw n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hrw h ALA 63 N 2.16 0.01 0.12 1.55 0.00 -1.03 -3.33 119.26 118.73 3hrw h ALA 63 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hrw h ALA 63 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hrw h ALA 63 CO 0.00 0.08 -0.06 -0.44 0.00 0.00 0.00 179.25 178.84 3hrw h ASP 64 N -0.63 -0.14 -0.68 0.00 3.32 -0.26 0.19 116.42 118.22 3hrw h ASP 64 Ca -0.04 -0.37 0.15 0.00 0.02 0.00 0.00 57.03 56.79 3hrw h ASP 64 Cb 1.06 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 40.54 3hrw h ASP 64 CO 0.05 0.33 0.06 0.00 -1.72 0.00 0.00 179.24 177.96 3hrw h ALA 65 N 0.13 0.75 -0.25 3.45 0.00 -0.98 0.20 119.26 122.56 3hrw h ALA 65 Ca -0.02 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3hrw h ALA 65 Cb 0.50 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3hrw h ALA 65 CO 0.03 -0.38 -0.15 -0.07 0.00 0.00 0.00 179.25 178.68 3hrw h LEU 66 N 0.16 0.56 -0.66 0.00 3.38 -1.63 -0.55 115.31 116.58 3hrw h LEU 66 Ca 0.37 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hrw h LEU 66 Cb 0.62 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hrw h LEU 66 CO -0.55 0.87 0.32 0.00 0.09 0.00 0.00 178.44 179.16 3hrw h ALA 67 N 0.71 0.84 0.13 1.53 0.00 0.64 1.39 119.26 124.50 3hrw h ALA 67 Ca 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hrw h ALA 67 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hrw h ALA 67 CO 0.04 0.41 -0.15 1.03 0.00 0.00 0.00 179.25 180.58 3hrw h SER 68 N 0.91 -0.41 -0.73 0.00 0.87 -0.69 -2.92 113.55 110.57 3hrw h SER 68 Ca 0.23 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 3hrw h SER 68 Cb 0.12 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 3hrw h SER 68 CO -0.03 -0.23 0.46 0.00 -0.53 0.00 0.00 176.83 176.50 3hrw h ALA 69 N 0.51 0.96 0.00 6.23 0.00 0.66 0.08 119.26 127.70 3hrw h ALA 69 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hrw h ALA 69 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hrw h ALA 69 CO -0.06 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3hrw n ALA 70 N -2.32 1.36 -0.77 0.00 0.00 0.46 -2.93 120.51 116.30 3hrw n ALA 70 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3hrw n ALA 70 Cb 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3hrw n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrw n GLY 71 N -0.65 0.85 3.02 0.00 0.00 -0.04 -4.33 105.19 104.04 3hrw n GLY 71 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hrw n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hrw n HIS 72 N -1.05 0.18 0.29 1.61 8.25 -0.88 -4.41 115.22 119.21 3hrw n HIS 72 Ca 0.00 -0.68 0.17 0.00 -0.26 0.00 0.00 57.72 56.95 3hrw n HIS 72 Cb 0.00 -0.75 0.90 0.00 1.12 0.00 0.00 29.99 31.26 3hrw n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hrw h LEU 73 N 10.85 0.00 0.00 2.41 3.38 -1.73 -3.04 115.31 127.17 3hrw h LEU 73 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3hrw h LEU 73 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hrw h LEU 73 CO 1.19 0.05 -0.87 0.44 0.09 0.00 0.00 178.44 179.33 3hrw h ASP 74 N 0.00 0.00 -3.15 -0.43 3.32 -1.90 -3.37 116.42 110.89 3hrw h ASP 74 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3hrw h ASP 74 Cb 0.23 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.38 3hrw h ASP 74 CO 0.01 0.33 -0.76 -0.62 -1.72 0.00 0.00 179.24 176.48 3hrw s ASP 75 N -5.91 3.99 0.24 6.45 2.15 -1.15 -4.95 116.67 117.49 3hrw s ASP 75 Ca 0.01 -1.68 0.17 0.00 0.43 0.00 0.00 52.55 51.48 3hrw s ASP 75 Cb 0.08 -0.86 0.04 0.00 -0.30 0.00 0.00 42.92 41.89 3hrw s ASP 75 CO 0.77 -0.41 1.28 -0.07 -0.17 0.00 0.00 175.17 176.57 3hrw h LEU 76 N 8.02 0.00 -9.25 -1.34 -0.00 -1.72 -3.38 115.31 107.63 3hrw h LEU 76 Ca -0.13 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.18 3hrw h LEU 76 Cb 1.01 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.60 3hrw h LEU 76 CO 0.47 0.41 0.16 -2.16 -0.00 0.00 0.00 178.44 177.33 3hrw s PRO 77 N -3.02 4.35 0.00 1.13 0.04 -1.26 -3.50 135.00 132.73 3hrw s PRO 77 Ca 0.02 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3hrw s PRO 77 Cb 0.08 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.11 3hrw s PRO 77 CO 0.76 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.10 3hrw n GLY 78 N 3.36 2.68 0.13 0.56 0.00 -1.26 -4.79 105.19 105.87 3hrw n GLY 78 Ca -0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 3hrw n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrw h ALA 79 N 0.00 0.14 -0.01 4.61 0.00 -1.75 -3.34 119.26 118.91 3hrw h ALA 79 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3hrw h ALA 79 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hrw h ALA 79 CO 0.00 0.88 -0.42 1.28 0.00 0.00 0.00 179.25 180.99 3hrw n LEU 80 N -3.63 1.21 -0.04 0.00 4.77 -1.23 -4.21 117.00 113.87 3hrw n LEU 80 Ca -0.09 -0.38 0.13 0.00 -0.03 0.00 0.00 56.01 55.64 3hrw n LEU 80 Cb 0.97 -0.10 0.74 0.00 -2.33 0.00 0.00 43.42 42.71 3hrw n LEU 80 CO 0.54 0.24 0.98 -1.20 -1.33 0.00 0.00 177.39 176.62 3hrw n SER 81 N -0.69 0.13 -0.06 -1.43 7.64 -1.25 0.26 113.62 118.21 3hrw n SER 81 Ca 0.10 -1.22 -0.05 0.00 1.01 0.00 0.00 58.87 58.70 3hrw n SER 81 Cb 0.38 -0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.73 3hrw n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hrw h ALA 82 N 3.84 1.04 0.00 -0.43 0.00 -1.79 -3.39 119.26 118.52 3hrw h ALA 82 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hrw h ALA 82 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hrw h ALA 82 CO 0.00 0.58 -1.22 1.28 0.00 0.00 0.00 179.25 179.90 3hrw n LEU 83 N -4.16 0.35 0.33 0.00 4.77 0.14 -4.34 117.00 114.09 3hrw n LEU 83 Ca 0.01 -0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 3hrw n LEU 83 Cb 0.37 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3hrw n LEU 83 CO 0.43 0.09 0.53 -1.28 -1.33 0.00 0.00 177.39 175.82 3hrw h SER 84 N 0.00 -0.97 -0.95 -1.43 0.87 -1.42 -2.76 113.55 106.88 3hrw h SER 84 Ca 0.00 0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.72 3hrw h SER 84 Cb 0.53 0.29 -0.12 0.00 -0.44 0.00 0.00 62.40 62.66 3hrw h SER 84 CO 0.00 -0.58 -0.51 -0.67 -0.53 0.00 0.00 176.83 174.53 3hrw n ASP 85 N -4.80 -0.91 0.26 6.23 4.64 -1.26 0.80 116.55 121.50 3hrw n ASP 85 Ca -0.11 1.69 -0.16 0.00 -1.38 0.00 0.00 54.79 54.82 3hrw n ASP 85 Cb 0.39 -0.26 -0.08 0.00 -1.04 0.00 0.00 41.12 40.13 3hrw n ASP 85 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 3hrw h LEU 86 N 0.00 -1.04 -0.26 -2.67 5.85 -1.74 0.89 115.31 116.34 3hrw h LEU 86 Ca 0.20 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3hrw h LEU 86 Cb 0.43 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3hrw h LEU 86 CO -0.91 -0.54 0.01 0.45 -0.34 0.00 0.00 178.44 177.11 3hrw h HIS 87 N -0.82 0.49 0.00 1.25 3.86 -1.14 2.50 115.15 121.30 3hrw h HIS 87 Ca -0.04 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3hrw h HIS 87 Cb 0.72 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3hrw h HIS 87 CO -0.20 0.60 -0.01 0.00 0.86 0.00 0.00 177.93 179.19 3hrw h ALA 88 N 0.83 0.00 0.00 2.45 0.00 0.58 0.11 119.26 123.23 3hrw h ALA 88 Ca 0.08 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 3hrw h ALA 88 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hrw h ALA 88 CO 0.01 -0.09 -1.72 0.72 0.00 0.00 0.00 179.25 178.17 3hrw n HIS 89 N -4.69 0.61 0.50 0.00 8.25 0.29 -3.98 115.22 116.20 3hrw n HIS 89 Ca -0.09 0.26 0.13 0.00 -0.26 0.00 0.00 57.72 57.76 3hrw n HIS 89 Cb 0.40 -1.04 0.30 0.00 1.12 0.00 0.00 29.99 30.77 3hrw n HIS 89 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3hrw h LYS 90 N -1.00 0.00 0.00 -0.41 3.64 -0.72 -3.35 116.57 114.74 3hrw h LYS 90 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3hrw h LYS 90 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3hrw h LYS 90 CO -0.28 0.00 -1.01 1.28 -2.27 0.00 0.00 179.45 177.17 3hrw n LEU 91 N -2.46 0.07 -3.95 5.20 4.77 0.84 -4.95 117.00 116.50 3hrw n LEU 91 Ca 0.05 -0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.52 3hrw n LEU 91 Cb 0.46 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3hrw n LEU 91 CO 0.32 0.02 -0.17 0.54 -1.33 0.00 0.00 177.39 176.77 3hrw n ARG 92 N -1.56 -0.91 -1.66 3.23 5.12 -0.76 -4.92 116.66 115.21 3hrw n ARG 92 Ca -0.01 0.23 -0.32 0.00 -1.93 0.00 0.00 57.85 55.82 3hrw n ARG 92 Cb 0.13 -3.33 0.05 0.00 -1.16 0.00 0.00 32.46 28.15 3hrw n ARG 92 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hrw s VAL 93 N -3.62 3.38 -0.26 1.55 0.11 0.31 -5.01 120.40 116.86 3hrw s VAL 93 Ca 0.40 0.58 -0.14 0.00 -2.93 0.00 0.00 61.98 59.90 3hrw s VAL 93 Cb -0.19 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 3hrw s VAL 93 CO 0.93 -0.46 0.32 -0.62 -3.33 0.00 0.00 175.10 171.94 3hrw s ASP 94 N -2.88 6.23 0.56 3.54 -1.08 -1.26 -4.91 116.67 116.87 3hrw s ASP 94 Ca 0.65 0.25 0.43 0.00 -0.52 0.00 0.00 52.55 53.35 3hrw s ASP 94 Cb -0.19 -2.18 1.57 0.00 -1.46 0.00 0.00 42.92 40.66 3hrw s ASP 94 CO 0.45 -0.11 1.62 -0.65 0.52 0.00 0.00 175.17 177.00 3hrw h PRO 95 N 7.98 0.00 0.00 4.34 0.11 -1.98 -1.31 132.00 141.14 3hrw h PRO 95 Ca -0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3hrw h PRO 95 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hrw h PRO 95 CO 0.64 0.00 -0.03 0.28 -0.21 0.00 0.00 178.00 178.68 3hrw h VAL 96 N 0.00 0.12 0.00 3.15 2.07 -2.02 -3.14 116.25 116.43 3hrw h VAL 96 Ca 0.74 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.87 3hrw h VAL 96 Cb 3.13 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 3hrw h VAL 96 CO -0.01 0.03 -0.10 0.78 0.02 0.00 0.00 177.57 178.29 3hrw h ASN 97 N 0.00 0.00 0.11 0.57 4.21 -1.66 -2.98 115.58 115.83 3hrw h ASN 97 Ca -0.00 -0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.34 3hrw h ASN 97 Cb 0.34 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 3hrw h ASN 97 CO 0.00 0.00 -0.59 -0.26 -1.29 0.00 0.00 177.43 175.29 3hrw h PHE 98 N 0.00 0.63 -0.60 1.19 0.04 -1.75 1.11 116.94 117.56 3hrw h PHE 98 Ca 0.00 -0.24 0.07 0.00 2.80 0.00 0.00 57.97 60.60 3hrw h PHE 98 Cb 0.93 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.91 3hrw h PHE 98 CO 0.00 0.96 0.29 0.87 -0.60 0.00 0.00 178.31 179.84 3hrw h LYS 99 N 0.37 0.52 -0.02 1.51 1.57 -1.68 -0.63 116.57 118.21 3hrw h LYS 99 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hrw h LYS 99 Cb 1.14 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3hrw h LYS 99 CO 0.11 0.35 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.25 3hrw h LEU 100 N 0.54 0.05 0.08 2.94 4.07 -1.25 -2.82 115.31 118.92 3hrw h LEU 100 Ca 0.28 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 3hrw h LEU 100 Cb 0.24 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3hrw h LEU 100 CO -0.21 0.50 -0.04 0.25 -1.08 0.00 0.00 178.44 177.86 3hrw h LEU 101 N -0.40 -0.09 -2.02 1.67 5.85 0.14 -2.57 115.31 117.88 3hrw h LEU 101 Ca 0.00 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3hrw h LEU 101 Cb 0.49 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hrw h LEU 101 CO 0.00 0.10 -0.09 0.77 -0.34 0.00 0.00 178.44 178.89 3hrw h SER 102 N -0.27 0.00 0.53 1.25 4.64 -1.21 0.38 113.55 118.87 3hrw h SER 102 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3hrw h SER 102 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3hrw h SER 102 CO 0.02 0.09 -0.25 -0.74 -0.87 0.00 0.00 176.83 175.07 3hrw h HIS 103 N 0.00 -0.66 -0.69 4.77 -0.00 -1.33 -2.36 115.15 114.88 3hrw h HIS 103 Ca -0.00 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.47 3hrw h HIS 103 Cb 0.19 0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 27.73 3hrw h HIS 103 CO 0.00 -0.34 0.27 0.00 -0.00 0.00 0.00 177.93 177.86 3hrw h LEU 105 N 0.45 0.40 0.00 0.00 5.85 -0.27 -2.76 115.31 118.97 3hrw h LEU 105 Ca 0.36 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 3hrw h LEU 105 Cb 0.50 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3hrw h LEU 105 CO -0.35 0.15 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.65 3hrw h LEU 106 N 0.39 0.00 -0.86 2.25 3.38 -0.45 -3.26 115.31 116.76 3hrw h LEU 106 Ca 0.48 -0.39 0.28 0.00 0.09 0.00 0.00 57.88 58.34 3hrw h LEU 106 Cb 1.23 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 3hrw h LEU 106 CO -0.18 0.79 0.16 0.52 0.09 0.00 0.00 178.44 179.83 3hrw n VAL 107 N -4.67 -0.36 0.09 1.22 0.31 -0.67 0.43 118.33 114.68 3hrw n VAL 107 Ca -0.07 1.84 -0.13 0.00 -0.01 0.00 0.00 64.34 65.97 3hrw n VAL 107 Cb 0.26 -2.78 -0.07 0.00 -0.91 0.00 0.00 33.84 30.33 3hrw n VAL 107 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3hrw h THR 108 N 0.00 0.91 -0.51 2.52 2.02 -1.62 0.56 112.91 116.78 3hrw h THR 108 Ca 0.59 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.67 3hrw h THR 108 Cb 1.36 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3hrw h THR 108 CO -0.76 0.01 0.02 -0.07 0.37 0.00 0.00 175.52 175.09 3hrw h LEU 109 N -0.14 0.81 -0.18 2.58 4.07 -0.06 0.22 115.31 122.61 3hrw h LEU 109 Ca -0.01 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.77 3hrw h LEU 109 Cb 0.11 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3hrw h LEU 109 CO 0.02 0.86 0.06 0.00 -1.08 0.00 0.00 178.44 178.30 3hrw h ALA 110 N 1.23 0.20 -0.23 1.53 0.00 -0.52 0.38 119.26 121.84 3hrw h ALA 110 Ca 0.16 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3hrw h ALA 110 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hrw h ALA 110 CO 0.02 -0.37 -0.31 0.66 0.00 0.00 0.00 179.25 179.24 3hrw h SER 111 N 0.14 0.68 1.17 0.00 4.64 -0.46 -2.67 113.55 117.05 3hrw h SER 111 Ca 0.08 -0.51 -0.12 0.00 -0.47 0.00 0.00 61.79 60.78 3hrw h SER 111 Cb 0.05 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3hrw h SER 111 CO -0.08 1.05 -0.55 0.45 -0.87 0.00 0.00 176.83 176.83 3hrw h HIS 112 N 0.33 0.00 -1.99 4.77 -0.00 -0.57 -3.41 115.15 114.27 3hrw h HIS 112 Ca 0.03 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.91 3hrw h HIS 112 Cb 0.89 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 27.90 3hrw h HIS 112 CO 0.08 0.55 -1.14 0.72 -0.00 0.00 0.00 177.93 178.15 3hrw n HIS 113 N -3.37 0.66 0.19 2.45 8.25 0.13 -5.01 115.22 118.52 3hrw n HIS 113 Ca 0.01 -3.80 -0.14 0.00 -0.26 0.00 0.00 57.72 53.52 3hrw n HIS 113 Cb 0.69 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 3hrw n HIS 113 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3hrw h PRO 114 N 3.00 -0.58 -1.11 -0.41 0.11 -1.64 -2.19 132.00 129.17 3hrw h PRO 114 Ca 0.10 0.04 0.36 0.00 0.11 0.00 0.00 66.00 66.61 3hrw h PRO 114 Cb 0.93 0.13 -0.14 0.00 0.11 0.00 0.00 31.00 32.03 3hrw h PRO 114 CO 0.54 -0.39 0.67 0.00 -0.21 0.00 0.00 178.00 178.60 3hrw h ALA 115 N -0.01 2.26 0.20 -0.75 0.00 -1.95 0.85 119.26 119.86 3hrw h ALA 115 Ca -0.01 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 3hrw h ALA 115 Cb 0.56 0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hrw h ALA 115 CO -0.07 -0.87 -1.41 -0.44 0.00 0.00 0.00 179.25 176.46 3hrw h ASP 116 N 0.22 0.67 0.00 0.00 5.19 -1.89 -3.40 116.42 117.20 3hrw h ASP 116 Ca 0.76 -0.73 -0.48 0.00 -0.62 0.00 0.00 57.03 55.96 3hrw h ASP 116 Cb 2.00 -0.22 0.04 0.00 0.18 0.00 0.00 39.33 41.33 3hrw h ASP 116 CO -0.53 1.57 2.20 0.33 -3.12 0.00 0.00 179.24 179.70 3hrw n PHE 117 N -3.63 1.33 -3.21 4.55 7.35 0.30 -4.77 117.46 119.36 3hrw n PHE 117 Ca -0.14 -1.62 -0.33 0.00 -0.76 0.00 0.00 57.45 54.60 3hrw n PHE 117 Cb 1.07 -1.49 -0.06 0.00 0.35 0.00 0.00 39.48 39.35 3hrw n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hrw s THR 118 N 4.58 4.73 0.32 -2.13 -4.23 -1.26 -4.77 115.64 112.89 3hrw s THR 118 Ca 0.46 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 61.90 3hrw s THR 118 Cb 0.11 -3.65 0.40 0.00 1.34 0.00 0.00 72.50 70.71 3hrw s THR 118 CO 0.07 -0.09 1.57 -0.65 -0.54 0.00 0.00 174.62 174.99 3hrw h PRO 119 N 2.54 0.00 -0.75 3.99 0.11 -1.97 0.41 132.00 136.33 3hrw h PRO 119 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3hrw h PRO 119 Cb 1.18 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3hrw h PRO 119 CO 0.66 0.00 0.41 0.00 -0.21 0.00 0.00 178.00 178.87 3hrw h ALA 120 N 1.99 0.96 0.20 -0.75 0.00 -1.94 0.89 119.26 120.62 3hrw h ALA 120 Ca 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 3hrw h ALA 120 Cb 1.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hrw h ALA 120 CO -0.89 0.47 -0.10 0.28 0.00 0.00 0.00 179.25 179.01 3hrw h VAL 121 N 1.04 0.50 -0.69 0.00 2.07 -0.62 -0.11 116.25 118.43 3hrw h VAL 121 Ca 0.26 -1.02 0.18 0.00 0.82 0.00 0.00 66.70 66.95 3hrw h VAL 121 Cb 0.04 0.87 -0.13 0.00 -1.52 0.00 0.00 31.29 30.54 3hrw h VAL 121 CO -0.04 0.14 -0.03 1.57 0.02 0.00 0.00 177.57 179.22 3hrw n HIS 122 N -4.95 0.39 0.03 1.57 -0.00 0.31 0.12 115.22 112.69 3hrw n HIS 122 Ca -0.06 0.84 -0.15 0.00 -0.00 0.00 0.00 57.72 58.34 3hrw n HIS 122 Cb 0.22 -0.99 -0.05 0.00 -0.00 0.00 0.00 29.99 29.17 3hrw n HIS 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hrw h ALA 123 N 1.38 0.36 -0.14 1.57 0.00 0.94 -1.84 119.26 121.53 3hrw h ALA 123 Ca 0.40 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3hrw h ALA 123 Cb 0.78 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hrw h ALA 123 CO -0.67 0.73 -0.52 0.77 0.00 0.00 0.00 179.25 179.57 3hrw h SER 124 N 0.38 0.42 0.43 0.00 0.02 0.24 -2.93 113.55 112.12 3hrw h SER 124 Ca -0.07 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 3hrw h SER 124 Cb 1.48 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3hrw h SER 124 CO 0.16 0.86 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.44 3hrw h LEU 125 N 0.30 -0.49 -1.94 5.07 4.07 0.11 -2.93 115.31 119.50 3hrw h LEU 125 Ca 0.01 -0.09 0.03 0.00 0.08 0.00 0.00 57.88 57.91 3hrw h LEU 125 Cb 1.02 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 3hrw h LEU 125 CO 0.09 -0.18 0.10 -0.78 -1.08 0.00 0.00 178.44 176.59 3hrw h ASP 126 N -0.82 0.07 0.52 -0.43 -0.00 -1.39 1.03 116.42 115.39 3hrw h ASP 126 Ca -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.97 3hrw h ASP 126 Cb 0.55 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.87 3hrw h ASP 126 CO 0.10 0.05 0.00 0.50 -0.00 0.00 0.00 179.24 179.89 3hrw h LYS 127 N 0.08 0.00 0.00 0.28 3.64 -1.44 -2.47 116.57 116.66 3hrw h LYS 127 Ca 0.07 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 3hrw h LYS 127 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3hrw h LYS 127 CO -0.01 0.00 -1.79 0.34 -2.27 0.00 0.00 179.45 175.72 3hrw n PHE 128 N -2.54 0.00 -0.22 1.91 7.35 0.32 -3.64 117.46 120.63 3hrw n PHE 128 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 3hrw n PHE 128 Cb 0.18 -0.55 0.03 0.00 0.35 0.00 0.00 39.48 39.49 3hrw n PHE 128 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3hrw h LEU 129 N 0.00 0.82 -0.96 -2.13 3.38 -0.54 -2.16 115.31 113.73 3hrw h LEU 129 Ca -0.31 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3hrw h LEU 129 Cb 1.58 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 3hrw h LEU 129 CO -0.02 0.74 0.62 0.00 0.09 0.00 0.00 178.44 179.87 3hrw h ALA 130 N 1.11 1.30 -0.70 1.53 0.00 -1.64 0.98 119.26 121.84 3hrw h ALA 130 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hrw h ALA 130 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hrw h ALA 130 CO -0.02 0.44 0.33 0.66 0.00 0.00 0.00 179.25 180.65 3hrw h SER 131 N 1.15 0.91 0.42 0.00 4.64 -1.51 0.61 113.55 119.77 3hrw h SER 131 Ca 0.40 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3hrw h SER 131 Cb 0.10 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hrw h SER 131 CO -0.15 0.77 -0.20 0.58 -0.87 0.00 0.00 176.83 176.96 3hrw h VAL 132 N 1.00 0.39 -1.00 0.95 2.07 -0.78 -2.52 116.25 116.35 3hrw h VAL 132 Ca 0.24 -0.59 0.23 0.00 0.82 0.00 0.00 66.70 67.40 3hrw h VAL 132 Cb 0.11 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 3hrw h VAL 132 CO -0.03 0.08 0.63 0.28 0.02 0.00 0.00 177.57 178.54 3hrw h SER 133 N -0.98 0.59 0.57 0.57 0.02 -0.62 0.01 113.55 113.71 3hrw h SER 133 Ca -0.06 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3hrw h SER 133 Cb 0.55 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 3hrw h SER 133 CO 0.09 0.17 -0.35 0.74 -1.14 0.00 0.00 176.83 176.34 3hrw h THR 134 N 0.55 0.00 -0.65 -2.27 2.02 0.29 -1.35 112.91 111.50 3hrw h THR 134 Ca 0.58 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.83 3hrw h THR 134 Cb 1.20 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 3hrw h THR 134 CO -0.33 0.00 0.33 0.58 0.37 0.00 0.00 175.52 176.47 3hrw h VAL 135 N -0.86 0.91 -0.73 3.16 2.07 -0.60 0.49 116.25 120.69 3hrw h VAL 135 Ca -0.08 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3hrw h VAL 135 Cb 0.69 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3hrw h VAL 135 CO 0.08 0.11 0.42 -0.07 0.02 0.00 0.00 177.57 178.13 3hrw h LEU 136 N 0.60 0.64 0.00 2.57 3.38 -1.20 0.13 115.31 121.42 3hrw h LEU 136 Ca 0.30 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3hrw h LEU 136 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hrw h LEU 136 CO -0.22 0.41 0.00 0.41 0.09 0.00 0.00 178.44 179.13 3hrw n THR 137 N -4.74 0.51 0.04 0.22 -1.04 0.12 -4.15 114.28 105.24 3hrw n THR 137 Ca 0.10 0.13 -0.11 0.00 -2.04 0.00 0.00 64.05 62.12 3hrw n THR 137 Cb 0.18 -0.90 -0.05 0.00 -1.82 0.00 0.00 70.33 67.74 3hrw n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3hrw h SER 138 N 0.00 -0.21 -0.11 8.00 0.02 -0.23 -3.38 113.55 117.63 3hrw h SER 138 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3hrw h SER 138 Cb 0.11 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3hrw h SER 138 CO 0.00 -0.11 0.00 0.29 -1.14 0.00 0.00 176.83 175.87 3hrw n LYS 139 N -5.20 1.54 0.00 3.45 4.76 -1.26 -2.99 118.16 118.47 3hrw n LYS 139 Ca -0.06 -0.53 0.00 0.00 -2.87 0.00 0.00 58.31 54.86 3hrw n LYS 139 Cb 0.12 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3hrw n LYS 139 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 3hrw n TYR 140 N 0.02 0.00 0.87 2.13 0.18 -1.26 -4.76 117.16 114.34 3hrw n TYR 140 Ca 0.05 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.93 3hrw n TYR 140 Cb 0.30 0.00 0.09 0.00 -0.38 0.00 0.00 39.34 39.34 3hrw n TYR 140 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67