#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxm s LEU 2 N 0.00 4.34 0.76 6.55 1.43 -1.26 -5.05 118.68 125.44 2dxm s LEU 2 Ca 0.00 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2dxm s LEU 2 Cb 0.00 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.40 2dxm s LEU 2 CO 0.00 -0.82 1.09 -0.94 0.23 0.00 0.00 176.35 175.91 2dxm s SER 3 N 2.04 4.91 0.30 2.29 1.04 -1.26 -4.82 113.70 118.20 2dxm s SER 3 Ca 0.27 1.31 0.07 0.00 0.48 0.00 0.00 55.95 58.07 2dxm s SER 3 Cb -0.13 -2.09 0.78 0.00 0.10 0.00 0.00 66.02 64.68 2dxm s SER 3 CO 0.20 -1.71 1.75 -0.65 0.98 0.00 0.00 173.24 173.81 2dxm h PRO 4 N -0.91 0.63 -0.74 4.02 0.11 -2.00 -0.84 132.00 132.27 2dxm h PRO 4 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2dxm h PRO 4 Cb 1.25 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2dxm h PRO 4 CO 0.60 0.41 0.29 0.00 -0.21 0.00 0.00 178.00 179.10 2dxm h ALA 5 N 1.68 0.96 0.36 -0.75 0.00 -1.99 -1.96 119.26 117.56 2dxm h ALA 5 Ca 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2dxm h ALA 5 Cb 1.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dxm h ALA 5 CO -0.43 0.59 -0.17 -0.44 0.00 0.00 0.00 179.25 178.79 2dxm h ASP 6 N 1.07 -0.41 -0.95 0.00 3.32 -1.52 -1.24 116.42 116.68 2dxm h ASP 6 Ca 0.25 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.41 2dxm h ASP 6 Cb 0.22 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 2dxm h ASP 6 CO -0.02 -0.29 0.61 0.11 -1.72 0.00 0.00 179.24 177.93 2dxm h LYS 7 N -0.49 0.94 -0.21 3.56 1.57 -1.32 -0.50 116.57 120.11 2dxm h LYS 7 Ca -0.05 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2dxm h LYS 7 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2dxm h LYS 7 CO 0.08 0.62 -0.00 1.15 -0.57 0.00 0.00 179.45 180.73 2dxm h THR 8 N 0.97 1.26 -0.56 -0.16 2.02 -1.17 -1.89 112.91 113.39 2dxm h THR 8 Ca 0.44 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2dxm h THR 8 Cb 0.40 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2dxm h THR 8 CO -0.20 0.27 0.34 0.78 0.37 0.00 0.00 175.52 177.08 2dxm h ASN 9 N 0.14 0.66 0.03 4.18 2.35 -0.43 -0.62 115.58 121.88 2dxm h ASN 9 Ca 0.06 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2dxm h ASN 9 Cb 0.41 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2dxm h ASN 9 CO 0.01 0.50 -0.01 0.58 -1.65 0.00 0.00 177.43 176.86 2dxm h VAL 10 N 0.76 1.34 -0.63 2.81 2.07 -0.99 -2.08 116.25 119.53 2dxm h VAL 10 Ca 0.20 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2dxm h VAL 10 Cb -0.04 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2dxm h VAL 10 CO -0.04 0.30 0.39 0.11 0.02 0.00 0.00 177.57 178.35 2dxm h LYS 11 N -0.56 0.85 0.43 1.57 1.57 -1.17 0.82 116.57 120.08 2dxm h LYS 11 Ca -0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2dxm h LYS 11 Cb 0.52 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2dxm h LYS 11 CO 0.01 0.59 -0.24 0.00 -0.57 0.00 0.00 179.45 179.24 2dxm h ALA 12 N 1.21 -0.62 -0.46 3.86 0.00 -1.15 0.32 119.26 122.41 2dxm h ALA 12 Ca 0.23 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2dxm h ALA 12 Cb -0.05 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2dxm h ALA 12 CO -0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 179.25 178.28 2dxm h ALA 13 N -0.06 0.62 0.00 0.00 0.00 -1.28 -2.57 119.26 115.97 2dxm h ALA 13 Ca -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2dxm h ALA 13 Cb 0.50 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dxm h ALA 13 CO 0.07 0.49 -0.12 2.35 0.00 0.00 0.00 179.25 182.04 2dxm h TRP 14 N 0.70 0.00 -0.02 0.00 2.91 -0.78 -2.82 115.95 115.92 2dxm h TRP 14 Ca 0.12 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.99 2dxm h TRP 14 Cb 0.60 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 2dxm h TRP 14 CO 0.05 0.12 -0.68 0.78 -1.03 0.00 0.00 178.44 177.67 2dxm h GLY 15 N 2.77 0.13 2.00 2.65 0.00 -0.09 -2.71 103.07 107.81 2dxm h GLY 15 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2dxm h GLY 15 CO 0.01 0.17 0.00 1.70 0.00 0.00 0.00 176.54 178.42 2dxm h LYS 16 N 0.08 0.00 0.14 4.80 3.11 -1.21 -3.24 116.57 120.25 2dxm h LYS 16 Ca -0.01 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2dxm h LYS 16 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2dxm h LYS 16 CO 0.10 0.00 -0.07 0.28 -2.81 0.00 0.00 179.45 176.95 2dxm h VAL 17 N 0.00 0.63 0.00 2.00 2.07 -1.37 -3.47 116.25 116.11 2dxm h VAL 17 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2dxm h VAL 17 Cb 0.69 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2dxm h VAL 17 CO 0.00 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.38 2dxm n GLY 18 N 0.98 3.37 0.28 2.17 0.00 -1.14 -2.35 105.19 108.51 2dxm n GLY 18 Ca -0.06 0.25 0.17 0.00 0.00 0.00 0.00 46.02 46.39 2dxm n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dxm h ALA 19 N -0.71 1.00 -0.09 4.61 0.00 -1.92 -3.01 119.26 119.15 2dxm h ALA 19 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dxm h ALA 19 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dxm h ALA 19 CO 0.00 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.98 2dxm n HIS 20 N -3.10 0.12 -0.31 0.00 -0.00 -0.99 -4.19 115.22 106.73 2dxm n HIS 20 Ca 0.00 -0.06 0.02 0.00 -0.00 0.00 0.00 57.72 57.69 2dxm n HIS 20 Cb 0.29 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.44 2dxm n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dxm h ALA 21 N 3.71 1.21 -0.76 -1.41 0.00 -1.70 -1.82 119.26 118.50 2dxm h ALA 21 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2dxm h ALA 21 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2dxm h ALA 21 CO 0.00 0.23 0.25 0.78 0.00 0.00 0.00 179.25 180.51 2dxm h GLY 22 N 0.93 1.26 1.26 0.00 0.00 -1.86 -0.40 103.07 104.27 2dxm h GLY 22 Ca 0.39 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 2dxm h GLY 22 CO -0.20 0.69 -0.36 -2.09 0.00 0.00 0.00 176.54 174.58 2dxm h GLU 23 N 1.13 0.81 -0.11 4.80 4.81 -1.74 -2.73 114.58 121.55 2dxm h GLU 23 Ca 0.25 -0.41 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 2dxm h GLU 23 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2dxm h GLU 23 CO -0.01 1.04 -0.44 1.88 -0.73 0.00 0.00 179.01 180.75 2dxm h TYR 24 N 0.67 0.32 -0.08 0.92 0.99 -1.09 -2.14 116.97 116.56 2dxm h TYR 24 Ca 0.06 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 2dxm h TYR 24 Cb 0.92 -0.07 -0.00 0.00 1.00 0.00 0.00 36.73 38.58 2dxm h TYR 24 CO 0.05 0.66 0.03 0.78 -0.00 0.00 0.00 178.16 179.68 2dxm h GLY 25 N 1.24 0.13 1.90 3.88 0.00 -0.93 -1.71 103.07 107.59 2dxm h GLY 25 Ca 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2dxm h GLY 25 CO 0.07 0.07 -0.21 0.00 0.00 0.00 0.00 176.54 176.47 2dxm h ALA 26 N 0.84 1.51 -0.20 3.60 0.00 -1.40 -2.62 119.26 120.98 2dxm h ALA 26 Ca 0.03 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2dxm h ALA 26 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dxm h ALA 26 CO -0.00 0.36 -0.47 1.49 0.00 0.00 0.00 179.25 180.62 2dxm h GLU 27 N 0.11 0.67 -1.01 0.00 4.81 -1.21 -2.36 114.58 115.60 2dxm h GLU 27 Ca 0.02 -0.46 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 2dxm h GLU 27 Cb 0.45 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 2dxm h GLU 27 CO 0.03 1.08 0.66 0.00 -0.73 0.00 0.00 179.01 180.05 2dxm h ALA 28 N 0.59 1.32 -0.43 2.92 0.00 -1.11 -0.74 119.26 121.82 2dxm h ALA 28 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2dxm h ALA 28 Cb 1.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2dxm h ALA 28 CO 0.10 0.59 -0.02 -0.07 0.00 0.00 0.00 179.25 179.85 2dxm h LEU 29 N 1.30 0.76 -0.84 0.00 3.38 -1.45 -2.14 115.31 116.32 2dxm h LEU 29 Ca 0.39 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2dxm h LEU 29 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2dxm h LEU 29 CO -0.11 0.90 0.10 -0.08 0.09 0.00 0.00 178.44 179.33 2dxm h GLU 30 N 0.60 0.97 -0.43 1.13 4.81 -0.94 -1.56 114.58 119.16 2dxm h GLU 30 Ca 0.12 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 2dxm h GLU 30 Cb 0.52 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2dxm h GLU 30 CO 0.03 0.89 -0.13 0.00 -0.73 0.00 0.00 179.01 179.07 2dxm h ARG 31 N 0.91 0.78 -0.14 1.92 3.08 -1.01 -2.89 114.38 117.04 2dxm h ARG 31 Ca 0.19 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2dxm h ARG 31 Cb 0.39 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2dxm h ARG 31 CO 0.01 0.87 -0.07 1.98 -1.07 0.00 0.00 179.97 181.69 2dxm h MET 32 N 0.70 0.29 -1.01 0.04 4.05 -0.98 -1.54 114.93 116.48 2dxm h MET 32 Ca 0.12 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2dxm h MET 32 Cb 0.61 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.35 2dxm h MET 32 CO 0.04 0.63 0.66 0.74 0.23 0.00 0.00 176.91 179.21 2dxm h PHE 33 N -0.06 1.25 -0.01 1.39 0.04 -1.25 0.40 116.94 118.70 2dxm h PHE 33 Ca 0.03 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 2dxm h PHE 33 Cb 0.55 -0.42 0.01 0.00 2.20 0.00 0.00 35.95 38.28 2dxm h PHE 33 CO 0.07 0.75 -0.36 -0.07 -0.60 0.00 0.00 178.31 178.10 2dxm h LEU 34 N 1.32 0.33 -0.45 1.54 3.38 -1.53 -3.25 115.31 116.66 2dxm h LEU 34 Ca 0.38 -0.76 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 2dxm h LEU 34 Cb -0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2dxm h LEU 34 CO -0.10 1.05 -0.64 0.28 0.09 0.00 0.00 178.44 179.11 2dxm h SER 35 N -0.35 0.00 -2.74 -0.43 0.02 -1.17 -3.39 113.55 105.49 2dxm h SER 35 Ca -0.04 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.31 2dxm h SER 35 Cb 1.10 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.24 2dxm h SER 35 CO 0.07 0.64 -0.83 -0.36 -1.14 0.00 0.00 176.83 175.22 2dxm s PHE 36 N -3.23 1.79 0.62 3.45 0.40 0.14 -5.00 117.98 116.14 2dxm s PHE 36 Ca 0.01 -2.52 0.31 0.00 -0.60 0.00 0.00 56.93 54.13 2dxm s PHE 36 Cb 0.11 -1.50 1.69 0.00 0.51 0.00 0.00 43.02 43.83 2dxm s PHE 36 CO 0.76 -0.75 2.03 -1.35 0.70 0.00 0.00 175.22 176.60 2dxm h PRO 37 N 5.88 0.00 -0.43 0.24 0.11 -1.74 -2.74 132.00 133.33 2dxm h PRO 37 Ca 0.18 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 2dxm h PRO 37 Cb 0.88 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2dxm h PRO 37 CO 0.46 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 179.97 2dxm h THR 38 N 0.00 1.25 0.00 -1.15 1.35 -1.92 -2.56 112.91 109.88 2dxm h THR 38 Ca 0.08 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2dxm h THR 38 Cb 0.65 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2dxm h THR 38 CO -0.00 0.37 0.01 0.35 -0.25 0.00 0.00 175.52 176.00 2dxm n THR 39 N -4.19 1.61 0.39 6.82 -2.24 -1.03 -1.42 114.28 114.22 2dxm n THR 39 Ca 0.02 0.59 0.14 0.00 -2.27 0.00 0.00 64.05 62.52 2dxm n THR 39 Cb 0.33 -1.59 0.46 0.00 -2.10 0.00 0.00 70.33 67.43 2dxm n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2dxm h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.66 -3.16 116.57 112.54 2dxm h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dxm h LYS 40 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2dxm h LYS 40 CO 0.00 0.00 -0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2dxm h THR 41 N 0.00 0.02 -0.01 -0.16 1.35 -1.44 -2.45 112.91 110.21 2dxm h THR 41 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2dxm h THR 41 Cb 0.61 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2dxm h THR 41 CO 0.00 0.00 -0.12 -1.22 -0.25 0.00 0.00 175.52 173.93 2dxm n TYR 42 N -3.11 0.00 -2.85 4.73 4.01 -1.19 -4.32 117.16 114.42 2dxm n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 2dxm n TYR 42 Cb 0.15 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 2dxm n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2dxm n PHE 43 N 0.02 1.70 0.47 -0.72 3.01 -0.92 -4.91 117.46 116.10 2dxm n PHE 43 Ca 0.15 -3.38 0.13 0.00 1.01 0.00 0.00 57.45 55.36 2dxm n PHE 43 Cb 0.39 -0.36 0.47 0.00 -0.01 0.00 0.00 39.48 39.96 2dxm n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dxm h PRO 44 N 2.93 0.00 -0.02 -1.08 0.13 -1.75 -3.03 132.00 129.17 2dxm h PRO 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2dxm h PRO 44 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2dxm h PRO 44 CO 0.61 0.00 -0.06 -2.39 -0.23 0.00 0.00 178.00 175.94 2dxm n HIS 45 N -2.31 0.00 -3.65 1.56 1.44 -1.26 -4.93 115.22 106.07 2dxm n HIS 45 Ca 0.03 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.49 2dxm n HIS 45 Cb 0.31 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.38 2dxm n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2dxm s PHE 46 N -2.08 3.48 -0.80 -1.40 2.99 -1.15 -5.04 117.98 113.98 2dxm s PHE 46 Ca 0.32 0.29 -0.18 0.00 0.00 0.00 0.00 56.93 57.37 2dxm s PHE 46 Cb 0.20 -1.82 0.14 0.00 0.00 0.00 0.00 43.02 41.55 2dxm s PHE 46 CO 0.36 0.32 0.92 0.34 -0.00 0.00 0.00 175.22 177.15 2dxm s ASP 47 N -3.52 6.53 -0.11 1.36 2.15 -1.26 -4.94 116.67 116.88 2dxm s ASP 47 Ca 0.38 -2.01 -0.04 0.00 0.43 0.00 0.00 52.55 51.32 2dxm s ASP 47 Cb -0.10 -2.32 -0.10 0.00 -0.30 0.00 0.00 42.92 40.09 2dxm s ASP 47 CO 0.31 -0.97 2.92 0.18 -0.17 0.00 0.00 175.17 177.44 2dxm n LEU 48 N 5.86 5.60 -4.85 -1.34 4.77 -1.26 -4.69 117.00 121.09 2dxm n LEU 48 Ca 0.11 -3.15 -0.21 0.00 -0.03 0.00 0.00 56.01 52.73 2dxm n LEU 48 Cb 0.47 -1.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 2dxm n LEU 48 CO 0.49 1.49 -0.08 -0.94 -1.33 0.00 0.00 177.39 177.01 2dxm s SER 49 N 1.54 5.31 0.19 -1.43 1.04 -1.26 -5.04 113.70 114.05 2dxm s SER 49 Ca 0.45 -0.48 -0.33 0.00 0.48 0.00 0.00 55.95 56.08 2dxm s SER 49 Cb 0.24 -1.00 -0.14 0.00 0.10 0.00 0.00 66.02 65.23 2dxm s SER 49 CO -0.04 -0.34 1.50 1.57 0.98 0.00 0.00 173.24 176.91 2dxm n HIS 50 N -1.37 2.19 -0.61 5.02 -0.00 -1.26 -1.67 115.22 117.52 2dxm n HIS 50 Ca -0.02 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.51 2dxm n HIS 50 Cb 0.60 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 2dxm n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dxm n GLY 51 N 2.86 1.71 3.63 1.57 0.00 -1.26 -4.98 105.19 108.72 2dxm n GLY 51 Ca 0.15 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.62 2dxm n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dxm n SER 52 N 0.00 1.78 0.12 1.61 2.88 -0.67 -4.85 113.62 114.49 2dxm n SER 52 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2dxm n SER 52 Cb 0.00 -1.15 0.29 0.00 -0.75 0.00 0.00 64.21 62.60 2dxm n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dxm h ALA 53 N 5.33 1.26 -0.29 -1.46 0.00 -1.90 -2.39 119.26 119.81 2dxm h ALA 53 Ca -0.47 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 2dxm h ALA 53 Cb 1.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2dxm h ALA 53 CO 0.83 0.52 0.18 1.96 0.00 0.00 0.00 179.25 182.74 2dxm h GLN 54 N 0.15 0.39 -0.46 0.00 4.20 -1.89 0.20 115.11 117.70 2dxm h GLN 54 Ca 0.02 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 2dxm h GLN 54 Cb 0.69 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2dxm h GLN 54 CO 0.05 0.30 0.01 0.28 -0.67 0.00 0.00 178.83 178.80 2dxm h VAL 55 N 0.38 1.23 -0.54 -0.54 2.07 -1.79 -1.85 116.25 115.21 2dxm h VAL 55 Ca 0.11 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 2dxm h VAL 55 Cb 0.00 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2dxm h VAL 55 CO -0.02 0.33 -0.03 0.11 0.02 0.00 0.00 177.57 177.98 2dxm h LYS 56 N 0.71 0.95 -0.19 1.57 6.56 -0.92 0.43 116.57 125.68 2dxm h LYS 56 Ca 0.14 -0.30 -0.12 0.00 -1.06 0.00 0.00 60.65 59.31 2dxm h LYS 56 Cb 0.41 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2dxm h LYS 56 CO 0.02 0.96 -0.40 0.78 -2.06 0.00 0.00 179.45 178.74 2dxm h GLY 57 N 0.99 0.46 1.41 3.86 0.00 -0.59 -2.21 103.07 106.98 2dxm h GLY 57 Ca 0.15 -0.45 -0.23 0.00 0.00 0.00 0.00 47.33 46.81 2dxm h GLY 57 CO 0.03 0.41 -0.89 0.84 0.00 0.00 0.00 176.54 176.93 2dxm h HIS 58 N 0.35 0.78 -0.12 5.60 -0.00 -1.12 -2.79 115.15 117.86 2dxm h HIS 58 Ca 0.03 -0.39 -0.02 0.00 -0.00 0.00 0.00 60.37 59.98 2dxm h HIS 58 Cb 0.86 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.16 2dxm h HIS 58 CO 0.03 1.21 -0.03 0.78 -0.00 0.00 0.00 177.93 179.91 2dxm h GLY 59 N 0.94 0.18 1.35 5.26 0.00 -0.71 -1.22 103.07 108.86 2dxm h GLY 59 Ca -0.08 -0.09 -0.22 0.00 0.00 0.00 0.00 47.33 46.95 2dxm h GLY 59 CO 0.16 0.08 -0.82 1.70 0.00 0.00 0.00 176.54 177.67 2dxm h LYS 60 N 0.17 0.63 -0.55 4.80 3.64 -1.29 -2.26 116.57 121.71 2dxm h LYS 60 Ca 0.04 -0.55 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 2dxm h LYS 60 Cb 0.17 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2dxm h LYS 60 CO 0.01 1.17 -0.08 0.87 -2.27 0.00 0.00 179.45 179.15 2dxm h LYS 61 N 0.41 1.01 -0.22 1.90 1.57 -1.08 -1.69 116.57 118.46 2dxm h LYS 61 Ca -0.06 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 2dxm h LYS 61 Cb 1.44 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2dxm h LYS 61 CO 0.16 1.03 -0.05 0.28 -0.57 0.00 0.00 179.45 180.30 2dxm h VAL 62 N 0.90 1.28 -0.59 0.50 2.07 -1.27 -2.38 116.25 116.76 2dxm h VAL 62 Ca 0.15 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2dxm h VAL 62 Cb 0.63 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2dxm h VAL 62 CO 0.04 0.32 0.32 0.00 0.02 0.00 0.00 177.57 178.27 2dxm h ALA 63 N 0.75 1.46 -0.14 1.67 0.00 -1.33 -2.07 119.26 119.60 2dxm h ALA 63 Ca 0.06 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2dxm h ALA 63 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dxm h ALA 63 CO 0.02 0.45 -0.68 -0.44 0.00 0.00 0.00 179.25 178.60 2dxm h ASP 64 N 0.82 0.66 0.16 0.00 5.19 -1.24 -1.99 116.42 120.01 2dxm h ASP 64 Ca 0.21 -0.40 -0.06 0.00 -0.62 0.00 0.00 57.03 56.16 2dxm h ASP 64 Cb 0.02 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 2dxm h ASP 64 CO -0.03 1.15 -0.23 0.00 -3.12 0.00 0.00 179.24 177.01 2dxm h ALA 65 N 0.85 1.47 -0.06 3.45 0.00 -0.96 -0.62 119.26 123.39 2dxm h ALA 65 Ca -0.02 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2dxm h ALA 65 Cb 1.26 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dxm h ALA 65 CO 0.13 0.38 -0.89 -0.07 0.00 0.00 0.00 179.25 178.80 2dxm h LEU 66 N 0.13 0.74 -1.23 0.00 3.38 -1.28 -2.46 115.31 114.59 2dxm h LEU 66 Ca 0.02 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 2dxm h LEU 66 Cb 0.48 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2dxm h LEU 66 CO 0.03 1.33 0.20 0.74 0.09 0.00 0.00 178.44 180.83 2dxm h THR 67 N 0.37 1.19 -0.67 0.22 2.02 -0.66 -1.45 112.91 113.93 2dxm h THR 67 Ca -0.08 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 2dxm h THR 67 Cb 1.52 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2dxm h THR 67 CO 0.17 0.24 0.12 -1.13 0.37 0.00 0.00 175.52 175.28 2dxm h ASN 68 N 0.73 1.04 -0.22 4.18 -1.24 -0.98 -2.61 115.58 116.47 2dxm h ASN 68 Ca 0.17 -0.24 -0.08 0.00 0.71 0.00 0.00 56.30 56.86 2dxm h ASN 68 Cb 0.16 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 2dxm h ASN 68 CO -0.02 1.02 -0.18 0.00 -1.29 0.00 0.00 177.43 176.97 2dxm h ALA 69 N 1.10 0.32 -0.28 1.57 0.00 -0.92 -2.76 119.26 118.29 2dxm h ALA 69 Ca 0.21 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2dxm h ALA 69 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dxm h ALA 69 CO 0.01 0.24 0.19 0.28 0.00 0.00 0.00 179.25 179.97 2dxm h VAL 70 N 0.21 1.04 0.00 0.00 2.07 -1.22 0.11 116.25 118.47 2dxm h VAL 70 Ca 0.04 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2dxm h VAL 70 Cb 0.72 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2dxm h VAL 70 CO 0.05 0.06 -0.00 0.00 0.02 0.00 0.00 177.57 177.70 2dxm h ALA 71 N 1.83 1.00 -0.90 1.67 0.00 -1.37 -3.29 119.26 118.21 2dxm h ALA 71 Ca 0.11 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.57 2dxm h ALA 71 Cb 0.03 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.41 2dxm h ALA 71 CO -0.02 0.00 -0.94 0.72 0.00 0.00 0.00 179.25 179.01 2dxm n HIS 72 N -3.10 2.26 0.28 0.00 8.25 -0.17 -4.87 115.22 117.87 2dxm n HIS 72 Ca 0.03 -2.51 0.17 0.00 -0.26 0.00 0.00 57.72 55.15 2dxm n HIS 72 Cb 0.46 -0.26 0.94 0.00 1.12 0.00 0.00 29.99 32.26 2dxm n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2dxm h VAL 73 N 3.27 0.37 -0.02 1.59 3.04 -0.93 0.11 116.25 123.68 2dxm h VAL 73 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 2dxm h VAL 73 Cb 1.26 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2dxm h VAL 73 CO 0.59 0.00 -0.07 0.47 -1.01 0.00 0.00 177.57 177.55 2dxm n ASP 74 N -3.62 1.96 -2.84 3.17 8.00 -1.26 -4.39 116.55 117.58 2dxm n ASP 74 Ca -0.01 -1.58 -0.11 0.00 0.71 0.00 0.00 54.79 53.79 2dxm n ASP 74 Cb 0.18 0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.39 2dxm n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dxm n ASP 75 N 0.43 -0.98 0.03 -2.24 2.03 -0.04 -5.00 116.55 110.79 2dxm n ASP 75 Ca 0.16 -3.17 -0.16 0.00 0.52 0.00 0.00 54.79 52.14 2dxm n ASP 75 Cb 0.44 0.79 -0.06 0.00 -0.72 0.00 0.00 41.12 41.58 2dxm n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2dxm h MET 76 N 2.81 0.61 -0.77 -0.67 2.86 -1.59 -3.13 114.93 115.06 2dxm h MET 76 Ca -0.08 -0.58 0.13 0.00 -2.06 0.00 0.00 59.70 57.11 2dxm h MET 76 Cb 1.11 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.83 2dxm h MET 76 CO 0.23 1.19 0.36 -1.35 1.06 0.00 0.00 176.91 178.40 2dxm h PRO 77 N 0.38 0.53 0.06 -0.22 0.11 -1.94 -1.77 132.00 129.15 2dxm h PRO 77 Ca -0.08 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.76 2dxm h PRO 77 Cb 1.51 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2dxm h PRO 77 CO 0.17 0.35 -1.07 -0.97 -0.21 0.00 0.00 178.00 176.27 2dxm h ASN 78 N 0.54 0.43 1.02 -2.05 -1.24 -1.98 -2.30 115.58 110.00 2dxm h ASN 78 Ca 0.41 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2dxm h ASN 78 Cb 0.57 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.49 2dxm h ASN 78 CO -0.36 1.24 0.00 0.00 -1.29 0.00 0.00 177.43 177.03 2dxm h ALA 79 N 0.71 1.00 -0.04 1.57 0.00 -1.41 -3.05 119.26 118.05 2dxm h ALA 79 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dxm h ALA 79 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2dxm h ALA 79 CO 0.18 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.71 2dxm n LEU 80 N -2.58 2.13 -0.26 0.00 4.77 -0.70 -4.79 117.00 115.57 2dxm n LEU 80 Ca 0.02 -2.04 0.06 0.00 -0.03 0.00 0.00 56.01 54.03 2dxm n LEU 80 Cb 0.30 -0.04 0.20 0.00 -2.33 0.00 0.00 43.42 41.55 2dxm n LEU 80 CO 0.25 0.53 1.02 -1.28 -1.33 0.00 0.00 177.39 176.58 2dxm h SER 81 N 0.25 0.28 -0.51 -1.43 0.87 -1.29 0.03 113.55 111.74 2dxm h SER 81 Ca 0.00 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2dxm h SER 81 Cb 0.55 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 2dxm h SER 81 CO 0.00 0.09 0.18 0.00 -0.53 0.00 0.00 176.83 176.57 2dxm h ALA 82 N 1.56 0.66 -0.18 6.23 0.00 -1.87 -2.57 119.26 123.11 2dxm h ALA 82 Ca 0.43 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2dxm h ALA 82 Cb 0.67 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2dxm h ALA 82 CO -0.42 0.30 -0.27 -0.07 0.00 0.00 0.00 179.25 178.79 2dxm h LEU 83 N 0.69 0.33 -0.60 0.00 3.38 -1.55 -2.32 115.31 115.25 2dxm h LEU 83 Ca 0.17 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2dxm h LEU 83 Cb 0.24 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2dxm h LEU 83 CO -0.01 0.61 0.14 0.28 0.09 0.00 0.00 178.44 179.55 2dxm h SER 84 N 0.30 0.91 -0.45 -0.43 0.02 -0.82 -2.19 113.55 110.89 2dxm h SER 84 Ca 0.04 -0.24 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 2dxm h SER 84 Cb 0.64 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2dxm h SER 84 CO 0.05 0.91 -0.15 0.44 -1.14 0.00 0.00 176.83 176.94 2dxm h ASP 85 N 0.87 0.92 -0.12 3.07 3.32 -1.24 -1.94 116.42 121.31 2dxm h ASP 85 Ca 0.19 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 2dxm h ASP 85 Cb 0.36 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2dxm h ASP 85 CO 0.00 1.09 0.05 0.25 -1.72 0.00 0.00 179.24 178.91 2dxm h LEU 86 N 0.74 0.16 -0.72 1.55 5.85 -1.34 -0.68 115.31 120.86 2dxm h LEU 86 Ca 0.11 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 2dxm h LEU 86 Cb 0.71 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2dxm h LEU 86 CO 0.05 0.26 -0.52 0.45 -0.34 0.00 0.00 178.44 178.35 2dxm h HIS 87 N 0.04 0.00 0.10 1.25 3.86 -1.43 -1.13 115.15 117.85 2dxm h HIS 87 Ca 0.04 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.96 2dxm h HIS 87 Cb 0.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2dxm h HIS 87 CO -0.02 0.52 -1.42 0.00 0.86 0.00 0.00 177.93 177.86 2dxm h ALA 88 N 1.48 0.27 -0.00 2.45 0.00 -1.26 0.11 119.26 122.32 2dxm h ALA 88 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2dxm h ALA 88 Cb 1.07 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dxm h ALA 88 CO 0.07 1.14 -0.22 0.72 0.00 0.00 0.00 179.25 180.96 2dxm n HIS 89 N -3.43 0.00 0.03 0.00 8.25 -0.27 -4.61 115.22 115.19 2dxm n HIS 89 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2dxm n HIS 89 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 2dxm n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2dxm n LYS 90 N -0.76 0.00 -0.02 -0.41 4.81 -0.61 -4.89 118.16 116.27 2dxm n LYS 90 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 2dxm n LYS 90 Cb 0.12 -0.21 -0.06 0.00 0.02 0.00 0.00 35.03 34.89 2dxm n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2dxm h LEU 91 N 0.00 0.16 -0.30 3.14 3.38 -1.41 -3.48 115.31 116.81 2dxm h LEU 91 Ca 0.00 -0.22 -0.36 0.00 0.09 0.00 0.00 57.88 57.39 2dxm h LEU 91 Cb 0.00 -0.04 0.10 0.00 0.09 0.00 0.00 40.66 40.81 2dxm h LEU 91 CO 0.00 0.33 -0.59 0.54 0.09 0.00 0.00 178.44 178.81 2dxm n ARG 92 N -4.88 -6.29 -2.05 1.13 3.00 0.40 -4.97 116.66 103.00 2dxm n ARG 92 Ca -0.06 0.77 -0.42 0.00 -0.01 0.00 0.00 57.85 58.14 2dxm n ARG 92 Cb 0.14 -5.53 -0.03 0.00 0.00 0.00 0.00 32.46 27.04 2dxm n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2dxm s VAL 93 N -3.23 3.04 0.23 1.55 1.01 -1.25 -4.94 120.40 116.81 2dxm s VAL 93 Ca 0.45 0.70 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 2dxm s VAL 93 Cb -0.20 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 2dxm s VAL 93 CO 0.55 0.04 1.57 -0.62 0.00 0.00 0.00 175.10 176.65 2dxm s ASP 94 N 1.33 6.49 0.50 3.32 2.15 -1.26 -4.87 116.67 124.34 2dxm s ASP 94 Ca 0.68 2.78 0.37 0.00 0.43 0.00 0.00 52.55 56.81 2dxm s ASP 94 Cb -0.39 -2.62 1.52 0.00 -0.30 0.00 0.00 42.92 41.13 2dxm s ASP 94 CO 0.31 -0.85 1.68 -0.65 -0.17 0.00 0.00 175.17 175.48 2dxm h PRO 95 N 5.74 0.07 0.00 4.34 0.11 -2.00 -2.28 132.00 137.99 2dxm h PRO 95 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dxm h PRO 95 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2dxm h PRO 95 CO 0.85 0.04 -0.01 -0.39 -0.21 0.00 0.00 178.00 178.29 2dxm h VAL 96 N 0.07 0.76 0.00 3.15 -1.51 -2.03 -2.75 116.25 113.94 2dxm h VAL 96 Ca 0.76 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 66.21 2dxm h VAL 96 Cb 2.73 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.90 2dxm h VAL 96 CO -0.17 0.01 0.00 0.59 -1.23 0.00 0.00 177.57 176.77 2dxm n ASN 97 N -4.18 0.56 0.07 4.19 3.02 -0.86 -2.91 115.26 115.15 2dxm n ASN 97 Ca -0.03 0.60 -0.08 0.00 -0.03 0.00 0.00 54.58 55.04 2dxm n ASN 97 Cb 0.09 -0.73 0.05 0.00 -0.61 0.00 0.00 39.78 38.57 2dxm n ASN 97 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2dxm h PHE 98 N 0.00 0.42 -0.07 3.10 0.04 -1.70 -2.77 116.94 115.96 2dxm h PHE 98 Ca 0.00 -0.19 -0.11 0.00 2.80 0.00 0.00 57.97 60.47 2dxm h PHE 98 Cb 0.47 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 2dxm h PHE 98 CO 0.00 0.93 -0.44 0.87 -0.60 0.00 0.00 178.31 179.07 2dxm h LYS 99 N 0.21 0.17 -0.43 1.51 1.57 -1.71 -1.16 116.57 116.73 2dxm h LYS 99 Ca -0.03 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 2dxm h LYS 99 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2dxm h LYS 99 CO 0.12 0.59 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.25 2dxm h LEU 100 N 0.14 0.97 -0.15 2.94 3.38 -1.60 -2.28 115.31 118.71 2dxm h LEU 100 Ca 0.01 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.45 2dxm h LEU 100 Cb 0.85 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dxm h LEU 100 CO 0.07 1.17 -0.44 0.25 0.09 0.00 0.00 178.44 179.58 2dxm h LEU 101 N 0.79 0.64 -0.34 1.67 5.85 -1.30 -2.91 115.31 119.72 2dxm h LEU 101 Ca 0.09 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.27 2dxm h LEU 101 Cb 0.84 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2dxm h LEU 101 CO 0.07 1.12 0.05 0.28 -0.34 0.00 0.00 178.44 179.63 2dxm h SER 102 N 0.19 -0.03 -0.11 1.25 0.02 -1.20 0.38 113.55 114.06 2dxm h SER 102 Ca -0.01 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2dxm h SER 102 Cb 1.06 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 2dxm h SER 102 CO 0.09 0.02 -0.09 -0.74 -1.14 0.00 0.00 176.83 174.97 2dxm h HIS 103 N 0.16 -0.22 0.00 3.45 -0.00 -1.46 -0.86 115.15 116.22 2dxm h HIS 103 Ca 0.16 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2dxm h HIS 103 Cb 0.19 0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2dxm h HIS 103 CO -0.20 -0.14 -0.07 0.00 -0.00 0.00 0.00 177.93 177.52 2dxm h LEU 105 N 0.00 0.29 -0.24 0.00 5.85 -0.03 -2.48 115.31 118.71 2dxm h LEU 105 Ca -0.00 -0.23 -0.21 0.00 0.84 0.00 0.00 57.88 58.28 2dxm h LEU 105 Cb 0.14 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.09 2dxm h LEU 105 CO 0.01 1.01 -0.69 -0.07 -0.34 0.00 0.00 178.44 178.36 2dxm h LEU 106 N 0.13 0.92 -0.88 2.25 3.38 0.24 -2.70 115.31 118.65 2dxm h LEU 106 Ca -0.04 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 2dxm h LEU 106 Cb 1.46 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2dxm h LEU 106 CO 0.13 1.35 0.36 0.58 0.09 0.00 0.00 178.44 180.95 2dxm h VAL 107 N 0.57 1.25 -0.38 1.22 2.07 -1.15 -1.48 116.25 118.35 2dxm h VAL 107 Ca -0.03 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 2dxm h VAL 107 Cb 1.30 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2dxm h VAL 107 CO 0.14 0.32 0.02 0.74 0.02 0.00 0.00 177.57 178.81 2dxm h THR 108 N 1.15 1.25 -0.65 2.57 2.02 -1.42 -1.97 112.91 115.86 2dxm h THR 108 Ca 0.27 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2dxm h THR 108 Cb 0.16 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2dxm h THR 108 CO -0.03 0.32 0.29 -0.07 0.37 0.00 0.00 175.52 176.40 2dxm h LEU 109 N 0.49 0.87 -1.36 2.58 3.38 -1.24 -2.40 115.31 117.63 2dxm h LEU 109 Ca 0.11 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2dxm h LEU 109 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2dxm h LEU 109 CO 0.02 0.78 -0.27 0.00 0.09 0.00 0.00 178.44 179.06 2dxm h ALA 110 N 1.13 1.47 0.00 1.53 0.00 -1.12 0.23 119.26 122.50 2dxm h ALA 110 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dxm h ALA 110 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dxm h ALA 110 CO -0.02 0.39 -0.19 0.00 0.00 0.00 0.00 179.25 179.42 2dxm h ALA 111 N 1.65 0.89 0.00 0.00 0.00 -1.09 -3.36 119.26 117.36 2dxm h ALA 111 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2dxm h ALA 111 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2dxm h ALA 111 CO 0.04 0.00 -1.67 0.72 0.00 0.00 0.00 179.25 178.34 2dxm n HIS 112 N -2.63 0.00 -3.78 0.00 -0.00 -0.93 -4.81 115.22 103.07 2dxm n HIS 112 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 2dxm n HIS 112 Cb 0.49 -0.45 -0.12 0.00 -0.00 0.00 0.00 29.99 29.91 2dxm n HIS 112 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2dxm s LEU 113 N -4.53 4.03 0.01 2.41 1.43 0.76 -4.98 118.68 117.83 2dxm s LEU 113 Ca -0.05 -3.68 -0.25 0.00 -1.03 0.00 0.00 54.13 49.13 2dxm s LEU 113 Cb 0.04 -1.36 -0.18 0.00 0.03 0.00 0.00 46.19 44.73 2dxm s LEU 113 CO 0.44 -0.10 1.33 1.55 0.23 0.00 0.00 176.35 179.79 2dxm h PRO 114 N 5.45 -0.19 0.00 1.29 0.13 -1.80 -2.45 132.00 134.44 2dxm h PRO 114 Ca 0.17 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 2dxm h PRO 114 Cb 0.79 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2dxm h PRO 114 CO 0.64 0.14 -0.26 0.00 -0.23 0.00 0.00 178.00 178.29 2dxm h ALA 115 N 0.25 1.33 0.00 -0.56 0.00 -1.93 -2.92 119.26 115.43 2dxm h ALA 115 Ca -0.02 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 2dxm h ALA 115 Cb 0.42 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2dxm h ALA 115 CO 0.03 0.33 -1.19 0.93 0.00 0.00 0.00 179.25 179.35 2dxm h GLU 116 N 0.00 0.00 -3.99 0.00 3.07 -1.98 -3.40 114.58 108.28 2dxm h GLU 116 Ca -0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.16 2dxm h GLU 116 Cb 0.54 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 2dxm h GLU 116 CO 0.03 0.65 3.10 0.34 -1.40 0.00 0.00 179.01 181.73 2dxm n PHE 117 N -3.16 3.33 -2.01 4.33 7.35 -0.92 -4.81 117.46 121.56 2dxm n PHE 117 Ca -0.06 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 2dxm n PHE 117 Cb 0.92 -2.48 0.02 0.00 0.35 0.00 0.00 39.48 38.29 2dxm n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dxm s THR 118 N 3.31 4.48 -0.36 -2.13 -4.23 -1.26 -4.85 115.64 110.60 2dxm s THR 118 Ca 0.49 0.67 0.20 0.00 -1.18 0.00 0.00 61.69 61.87 2dxm s THR 118 Cb 0.14 -3.78 0.20 0.00 1.34 0.00 0.00 72.50 70.40 2dxm s THR 118 CO -0.07 -0.99 1.60 -0.81 -0.54 0.00 0.00 174.62 173.82 2dxm n PRO 119 N -2.72 0.13 -0.04 3.99 -0.04 -1.26 -0.96 135.00 134.10 2dxm n PRO 119 Ca 0.05 0.57 -0.21 0.00 -0.04 0.00 0.00 63.50 63.87 2dxm n PRO 119 Cb 0.55 -1.88 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 2dxm n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dxm h ALA 120 N 2.07 0.26 -0.43 0.55 0.00 -1.96 -3.22 119.26 116.53 2dxm h ALA 120 Ca 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 54.91 53.68 2dxm h ALA 120 Cb 0.09 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2dxm h ALA 120 CO 0.00 0.84 0.04 0.28 0.00 0.00 0.00 179.25 180.41 2dxm h VAL 121 N -0.54 1.22 -0.72 0.00 2.07 -1.79 -1.74 116.25 114.74 2dxm h VAL 121 Ca -0.33 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.40 2dxm h VAL 121 Cb 1.60 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 2dxm h VAL 121 CO -0.05 0.30 0.43 -0.74 0.02 0.00 0.00 177.57 177.53 2dxm h HIS 122 N 0.64 0.80 -0.51 1.57 6.17 -1.20 -0.41 115.15 122.22 2dxm h HIS 122 Ca 0.14 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.19 2dxm h HIS 122 Cb 0.34 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.00 2dxm h HIS 122 CO 0.02 0.41 0.13 0.00 0.71 0.00 0.00 177.93 179.19 2dxm h ALA 123 N 1.35 0.67 -0.37 5.26 0.00 -1.34 -2.42 119.26 122.41 2dxm h ALA 123 Ca 0.31 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2dxm h ALA 123 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2dxm h ALA 123 CO -0.16 0.36 -0.03 0.77 0.00 0.00 0.00 179.25 180.19 2dxm h SER 124 N 0.71 0.67 -0.68 0.00 0.02 -0.84 -2.79 113.55 110.64 2dxm h SER 124 Ca 0.16 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2dxm h SER 124 Cb 0.33 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2dxm h SER 124 CO 0.00 0.84 0.39 -0.07 -1.14 0.00 0.00 176.83 176.85 2dxm h LEU 125 N 0.49 0.83 -0.98 5.07 3.38 -1.00 -0.41 115.31 122.70 2dxm h LEU 125 Ca 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2dxm h LEU 125 Cb 0.52 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2dxm h LEU 125 CO 0.03 0.67 0.21 -0.78 0.09 0.00 0.00 178.44 178.66 2dxm h ASP 126 N 0.93 0.88 0.24 -0.43 3.58 -1.42 -0.36 116.42 119.85 2dxm h ASP 126 Ca 0.24 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.40 2dxm h ASP 126 Cb 0.01 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2dxm h ASP 126 CO -0.04 0.82 -0.59 0.11 -2.88 0.00 0.00 179.24 176.65 2dxm h LYS 127 N 0.93 0.35 -0.22 0.28 1.57 -1.18 -2.50 116.57 115.79 2dxm h LYS 127 Ca 0.21 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2dxm h LYS 127 Cb 0.24 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2dxm h LYS 127 CO -0.01 0.84 -0.01 0.35 -0.57 0.00 0.00 179.45 180.05 2dxm h PHE 128 N 0.26 0.44 -0.25 -1.35 3.57 -0.53 -1.61 116.94 117.47 2dxm h PHE 128 Ca -0.00 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2dxm h PHE 128 Cb 1.11 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2dxm h PHE 128 CO 0.03 0.59 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.45 2dxm h LEU 129 N 0.16 0.43 -0.95 0.59 3.38 -1.09 -0.76 115.31 117.06 2dxm h LEU 129 Ca 0.06 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2dxm h LEU 129 Cb 0.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2dxm h LEU 129 CO 0.01 0.63 -0.47 0.00 0.09 0.00 0.00 178.44 178.71 2dxm h ALA 130 N 1.41 1.12 0.02 1.53 0.00 -1.29 -1.33 119.26 120.73 2dxm h ALA 130 Ca 0.07 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 2dxm h ALA 130 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2dxm h ALA 130 CO 0.04 0.61 -0.95 0.77 0.00 0.00 0.00 179.25 179.72 2dxm h SER 131 N 0.10 0.20 -0.45 0.00 0.02 -0.69 -2.17 113.55 110.56 2dxm h SER 131 Ca 0.00 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.65 2dxm h SER 131 Cb 0.87 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2dxm h SER 131 CO 0.07 1.04 -0.18 0.58 -1.14 0.00 0.00 176.83 177.20 2dxm h VAL 132 N 0.07 1.27 0.00 2.27 2.07 -0.87 -2.76 116.25 118.29 2dxm h VAL 132 Ca -0.05 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 2dxm h VAL 132 Cb 1.62 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2dxm h VAL 132 CO 0.14 0.45 -0.42 0.28 0.02 0.00 0.00 177.57 178.04 2dxm h SER 133 N 0.76 0.00 -0.22 0.57 0.02 -1.24 -2.06 113.55 111.38 2dxm h SER 133 Ca 0.11 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 2dxm h SER 133 Cb 0.75 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 2dxm h SER 133 CO 0.06 0.42 -0.55 0.74 -1.14 0.00 0.00 176.83 176.36 2dxm h THR 134 N 0.00 1.28 -0.26 -2.27 2.02 -1.22 -2.87 112.91 109.59 2dxm h THR 134 Ca -0.00 -1.74 -0.17 0.00 0.77 0.00 0.00 66.41 65.27 2dxm h THR 134 Cb 0.80 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2dxm h THR 134 CO 0.05 0.56 -0.50 0.58 0.37 0.00 0.00 175.52 176.58 2dxm h VAL 135 N 0.63 1.29 0.00 3.16 2.07 -1.29 -1.79 116.25 120.33 2dxm h VAL 135 Ca 0.01 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.83 2dxm h VAL 135 Cb 1.14 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2dxm h VAL 135 CO 0.12 0.55 0.00 -0.07 0.02 0.00 0.00 177.57 178.19 2dxm h LEU 136 N 0.57 0.00 -2.12 2.57 3.38 -1.37 -2.98 115.31 115.36 2dxm h LEU 136 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dxm h LEU 136 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dxm h LEU 136 CO 0.11 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.99 2dxm n THR 137 N -2.85 0.52 0.30 0.22 -2.24 -1.09 -4.60 114.28 104.53 2dxm n THR 137 Ca 0.01 -0.76 0.16 0.00 -2.27 0.00 0.00 64.05 61.19 2dxm n THR 137 Cb 0.28 0.80 0.92 0.00 -2.10 0.00 0.00 70.33 70.24 2dxm n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2dxm h SER 138 N 1.16 0.00 -0.32 3.42 4.64 -1.16 -2.85 113.55 118.44 2dxm h SER 138 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2dxm h SER 138 Cb 0.45 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 2dxm h SER 138 CO 0.00 0.03 0.01 0.29 -0.87 0.00 0.00 176.83 176.29 2dxm n LYS 139 N -3.58 2.64 0.19 4.77 5.02 -1.26 -4.66 118.16 121.28 2dxm n LYS 139 Ca -0.02 -2.95 0.04 0.00 -2.02 0.00 0.00 58.31 53.36 2dxm n LYS 139 Cb 0.13 -1.86 0.44 0.00 -0.02 0.00 0.00 35.03 33.72 2dxm n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2dxm h TYR 140 N 1.59 0.07 0.00 2.13 0.99 -1.83 -3.47 116.97 116.46 2dxm h TYR 140 Ca 0.08 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2dxm h TYR 140 Cb 1.57 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 39.28 2dxm h TYR 140 CO 0.69 0.27 0.00 2.89 -0.00 0.00 0.00 178.16 182.01