#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxm s HIS 2 N 0.00 3.13 -0.01 6.34 2.46 -1.26 -4.71 115.29 121.24 2dxm s HIS 2 Ca 0.00 -0.23 0.05 0.00 0.47 0.00 0.00 55.06 55.35 2dxm s HIS 2 Cb 0.00 -2.16 -0.01 0.00 -0.13 0.00 0.00 32.58 30.27 2dxm s HIS 2 CO 0.00 -0.16 -0.16 -0.51 -2.47 0.00 0.00 174.74 171.45 2dxm s LEU 3 N 1.10 2.04 0.70 8.88 1.43 -1.26 -5.10 118.68 126.47 2dxm s LEU 3 Ca 0.04 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 2dxm s LEU 3 Cb -0.14 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2dxm s LEU 3 CO 0.03 0.18 1.09 0.42 0.23 0.00 0.00 176.35 178.30 2dxm s THR 4 N -0.40 3.50 0.38 5.49 -4.23 -1.26 -4.71 115.64 114.42 2dxm s THR 4 Ca 0.06 0.58 0.17 0.00 -1.18 0.00 0.00 61.69 61.32 2dxm s THR 4 Cb -0.06 -3.12 0.38 0.00 1.34 0.00 0.00 72.50 71.03 2dxm s THR 4 CO -0.00 -0.55 1.75 -0.65 -0.54 0.00 0.00 174.62 174.62 2dxm h PRO 5 N -0.51 0.40 -0.20 3.99 0.11 -2.00 0.43 132.00 134.22 2dxm h PRO 5 Ca -0.45 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 2dxm h PRO 5 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2dxm h PRO 5 CO 0.54 0.26 -0.64 1.05 -0.21 0.00 0.00 178.00 179.01 2dxm h GLU 6 N 0.41 0.71 -0.12 1.05 9.09 -1.99 -2.73 114.58 121.00 2dxm h GLU 6 Ca 0.62 -0.50 -0.03 0.00 0.05 0.00 0.00 59.36 59.50 2dxm h GLU 6 Cb 1.52 0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 28.70 2dxm h GLU 6 CO -0.35 1.12 -0.06 0.93 0.05 0.00 0.00 179.01 180.71 2dxm h GLU 7 N 0.52 0.25 -0.96 1.06 5.08 -1.31 -1.82 114.58 117.41 2dxm h GLU 7 Ca -0.01 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2dxm h GLU 7 Cb 1.23 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 2dxm h GLU 7 CO 0.13 0.59 0.62 -0.22 -1.00 0.00 0.00 179.01 179.13 2dxm h LYS 8 N -0.10 1.02 -0.11 2.33 1.63 -1.30 -0.91 116.57 119.13 2dxm h LYS 8 Ca 0.03 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.63 2dxm h LYS 8 Cb 0.52 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2dxm h LYS 8 CO 0.02 0.67 -0.52 1.03 -3.45 0.00 0.00 179.45 177.20 2dxm h SER 9 N 1.05 0.34 -0.10 4.20 0.87 -1.39 -2.56 113.55 115.95 2dxm h SER 9 Ca 0.43 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2dxm h SER 9 Cb 0.28 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2dxm h SER 9 CO -0.18 0.80 -0.19 0.00 -0.53 0.00 0.00 176.83 176.72 2dxm h ALA 10 N 1.21 0.16 -0.73 6.23 0.00 -0.41 -2.21 119.26 123.50 2dxm h ALA 10 Ca 0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2dxm h ALA 10 Cb 1.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2dxm h ALA 10 CO 0.08 0.10 0.31 0.28 0.00 0.00 0.00 179.25 180.02 2dxm h VAL 11 N -0.14 1.25 -0.26 0.00 2.07 -1.23 -2.37 116.25 115.58 2dxm h VAL 11 Ca 0.00 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 2dxm h VAL 11 Cb 0.78 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2dxm h VAL 11 CO 0.04 0.31 -0.28 0.74 0.02 0.00 0.00 177.57 178.40 2dxm h THR 12 N 1.04 1.31 0.29 2.57 2.02 -1.51 -2.37 112.91 116.26 2dxm h THR 12 Ca 0.24 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 2dxm h THR 12 Cb 0.19 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2dxm h THR 12 CO -0.02 0.46 -0.18 0.00 0.37 0.00 0.00 175.52 176.15 2dxm h ALA 13 N 0.68 -0.44 -0.24 6.16 0.00 -1.32 -2.86 119.26 121.24 2dxm h ALA 13 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2dxm h ALA 13 Cb 0.85 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2dxm h ALA 13 CO 0.07 -0.76 -0.17 1.25 0.00 0.00 0.00 179.25 179.64 2dxm h LEU 14 N -0.45 0.40 0.00 0.00 5.85 -1.49 -2.60 115.31 117.02 2dxm h LEU 14 Ca -0.03 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2dxm h LEU 14 Cb 0.37 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2dxm h LEU 14 CO 0.03 0.59 0.00 1.87 -0.34 0.00 0.00 178.44 180.60 2dxm n TRP 15 N -4.19 0.00 0.14 1.25 -0.00 -0.89 -2.41 117.44 111.33 2dxm n TRP 15 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.53 2dxm n TRP 15 Cb 0.34 -0.48 0.03 0.00 -0.00 0.00 0.00 31.31 31.20 2dxm n TRP 15 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2dxm h GLY 16 N 3.21 0.00 -0.34 5.87 0.00 -1.24 -3.22 103.07 107.36 2dxm h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dxm h GLY 16 CO 0.00 0.00 -0.03 0.28 0.00 0.00 0.00 176.54 176.79 2dxm n LYS 17 N -3.21 1.55 -3.14 4.80 5.02 -1.01 -4.92 118.16 117.24 2dxm n LYS 17 Ca 0.02 -0.88 -0.39 0.00 -2.02 0.00 0.00 58.31 55.03 2dxm n LYS 17 Cb 0.73 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 2dxm n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dxm s VAL 18 N -2.06 5.08 -0.83 -0.18 1.01 -1.22 -5.01 120.40 117.19 2dxm s VAL 18 Ca 0.37 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 63.39 2dxm s VAL 18 Cb 0.21 -3.95 0.13 0.00 0.00 0.00 0.00 36.38 32.77 2dxm s VAL 18 CO 0.36 0.24 1.00 0.21 0.00 0.00 0.00 175.10 176.90 2dxm s ASN 19 N 0.85 6.52 0.46 3.32 2.47 -1.26 -4.91 114.94 122.39 2dxm s ASN 19 Ca 0.32 -1.89 0.26 0.00 0.42 0.00 0.00 52.86 51.96 2dxm s ASN 19 Cb -0.16 -2.36 1.29 0.00 -1.45 0.00 0.00 41.25 38.57 2dxm s ASN 19 CO 0.14 -1.06 1.81 0.58 -3.72 0.00 0.00 177.10 174.84 2dxm h VAL 20 N 5.73 0.51 -0.34 -5.21 2.07 -1.96 -1.28 116.25 115.78 2dxm h VAL 20 Ca 0.02 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2dxm h VAL 20 Cb 1.04 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2dxm h VAL 20 CO 1.07 0.04 -0.05 0.44 0.02 0.00 0.00 177.57 179.09 2dxm h ASP 21 N 0.22 0.62 0.38 0.57 3.32 -1.90 -2.62 116.42 117.00 2dxm h ASP 21 Ca 0.54 -0.34 -0.32 0.00 0.02 0.00 0.00 57.03 56.93 2dxm h ASP 21 Cb 1.72 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 41.13 2dxm h ASP 21 CO -0.15 0.82 -1.44 -0.33 -1.72 0.00 0.00 179.24 176.41 2dxm h GLU 22 N 0.42 0.44 -0.53 3.56 4.39 -1.75 -3.13 114.58 117.97 2dxm h GLU 22 Ca 0.09 -0.75 -0.12 0.00 0.34 0.00 0.00 59.36 58.92 2dxm h GLU 22 Cb 0.53 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2dxm h GLU 22 CO 0.03 1.35 -0.12 0.28 -1.16 0.00 0.00 179.01 179.38 2dxm h VAL 23 N 0.12 1.27 -0.30 3.13 2.07 -1.37 -2.45 116.25 118.72 2dxm h VAL 23 Ca -0.23 -1.29 -0.09 0.00 0.82 0.00 0.00 66.70 65.91 2dxm h VAL 23 Cb 2.10 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2dxm h VAL 23 CO 0.24 0.45 -0.21 1.23 0.02 0.00 0.00 177.57 179.31 2dxm h GLY 24 N 0.90 0.60 1.32 2.17 0.00 -1.59 -1.18 103.07 105.28 2dxm h GLY 24 Ca 0.13 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 2dxm h GLY 24 CO 0.05 0.44 -0.21 -1.33 0.00 0.00 0.00 176.54 175.49 2dxm h GLY 25 N 0.99 0.86 1.24 4.60 0.00 -1.48 -2.22 103.07 107.06 2dxm h GLY 25 Ca 0.08 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 2dxm h GLY 25 CO 0.05 0.66 -0.27 0.83 0.00 0.00 0.00 176.54 177.80 2dxm h GLU 26 N 0.69 0.86 -0.18 4.80 4.39 -1.16 -2.88 114.58 121.10 2dxm h GLU 26 Ca 0.10 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 2dxm h GLU 26 Cb 0.72 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2dxm h GLU 26 CO 0.06 1.03 -0.11 0.00 -1.16 0.00 0.00 179.01 178.82 2dxm h ALA 27 N 0.95 0.25 -0.34 3.43 0.00 -1.04 -2.30 119.26 120.20 2dxm h ALA 27 Ca 0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2dxm h ALA 27 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2dxm h ALA 27 CO 0.07 0.10 -0.30 1.25 0.00 0.00 0.00 179.25 180.37 2dxm h LEU 28 N 0.06 0.75 -0.30 0.00 5.85 -1.49 -2.61 115.31 117.57 2dxm h LEU 28 Ca 0.04 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2dxm h LEU 28 Cb 0.61 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2dxm h LEU 28 CO 0.03 1.00 0.07 1.23 -0.34 0.00 0.00 178.44 180.44 2dxm h GLY 29 N 0.97 0.52 2.00 3.75 0.00 -1.52 -2.78 103.07 106.00 2dxm h GLY 29 Ca 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2dxm h GLY 29 CO 0.07 0.30 -0.23 3.21 0.00 0.00 0.00 176.54 179.89 2dxm h ARG 30 N 0.32 0.00 -0.49 4.80 3.08 -1.40 -2.05 114.38 118.64 2dxm h ARG 30 Ca 0.09 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2dxm h ARG 30 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2dxm h ARG 30 CO 0.00 0.23 -0.19 1.25 -1.07 0.00 0.00 179.97 180.19 2dxm h LEU 31 N 0.00 1.00 -0.49 3.04 5.85 -1.22 -0.90 115.31 122.60 2dxm h LEU 31 Ca -0.00 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 2dxm h LEU 31 Cb 0.59 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2dxm h LEU 31 CO 0.03 1.16 -0.55 -0.07 -0.34 0.00 0.00 178.44 178.67 2dxm h LEU 32 N 0.85 0.00 0.21 2.25 3.38 -1.20 -2.10 115.31 118.71 2dxm h LEU 32 Ca 0.12 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.74 2dxm h LEU 32 Cb 0.76 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.53 2dxm h LEU 32 CO 0.06 0.55 -1.68 0.58 0.09 0.00 0.00 178.44 178.04 2dxm h VAL 33 N 0.00 1.03 0.17 1.22 2.07 -1.28 -3.24 116.25 116.21 2dxm h VAL 33 Ca -0.01 -2.56 -0.32 0.00 0.82 0.00 0.00 66.70 64.63 2dxm h VAL 33 Cb 1.21 2.84 0.01 0.00 -1.52 0.00 0.00 31.29 33.83 2dxm h VAL 33 CO 0.07 0.85 -1.54 0.58 0.02 0.00 0.00 177.57 177.55 2dxm h VAL 34 N 0.12 1.18 -2.78 2.57 2.07 -1.26 -3.39 116.25 114.76 2dxm h VAL 34 Ca -0.32 -2.74 -0.61 0.00 0.82 0.00 0.00 66.70 63.85 2dxm h VAL 34 Cb 2.12 2.86 -0.41 0.00 -1.52 0.00 0.00 31.29 34.34 2dxm h VAL 34 CO 0.21 0.84 -0.68 -1.22 0.02 0.00 0.00 177.57 176.74 2dxm n TYR 35 N -3.57 2.33 -0.02 1.57 4.01 -0.79 -4.99 117.16 115.71 2dxm n TYR 35 Ca -0.18 -4.06 0.24 0.00 -0.16 0.00 0.00 57.90 53.74 2dxm n TYR 35 Cb 1.07 -0.43 0.71 0.00 -0.31 0.00 0.00 39.34 40.37 2dxm n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2dxm h PRO 36 N 5.21 0.00 0.00 -0.72 0.13 -1.74 -2.29 132.00 132.60 2dxm h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2dxm h PRO 36 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2dxm h PRO 36 CO 0.65 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.75 2dxm n TRP 37 N -3.78 0.38 0.80 1.56 2.14 -1.26 -2.01 117.44 115.25 2dxm n TRP 37 Ca 0.12 0.15 0.11 0.00 2.07 0.00 0.00 57.50 59.95 2dxm n TRP 37 Cb 0.83 -0.74 0.49 0.00 -0.81 0.00 0.00 31.31 31.09 2dxm n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2dxm n THR 38 N -1.84 0.41 0.62 -1.67 -2.24 -0.86 -3.29 114.28 105.40 2dxm n THR 38 Ca 0.03 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 2dxm n THR 38 Cb 0.20 -0.70 0.35 0.00 -2.10 0.00 0.00 70.33 68.08 2dxm n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dxm n GLN 39 N -1.51 0.10 0.26 -0.78 6.02 -0.85 -3.22 117.38 117.39 2dxm n GLN 39 Ca 0.06 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 2dxm n GLN 39 Cb 0.27 -1.50 0.71 0.00 1.02 0.00 0.00 30.24 30.74 2dxm n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2dxm h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.79 -2.63 114.38 108.97 2dxm h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dxm h ARG 40 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2dxm h ARG 40 CO 0.00 0.11 -0.23 1.19 0.10 0.00 0.00 179.97 181.15 2dxm n PHE 41 N -3.84 0.00 -3.10 4.08 3.01 -1.20 -4.31 117.46 112.10 2dxm n PHE 41 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 2dxm n PHE 41 Cb 0.21 -0.35 -0.04 0.00 -0.01 0.00 0.00 39.48 39.29 2dxm n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2dxm n PHE 42 N -1.42 2.02 0.19 1.38 3.01 -0.99 -4.85 117.46 116.80 2dxm n PHE 42 Ca 0.07 -3.90 0.08 0.00 1.01 0.00 0.00 57.45 54.71 2dxm n PHE 42 Cb 0.33 -0.45 0.22 0.00 -0.01 0.00 0.00 39.48 39.57 2dxm n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2dxm h GLU 43 N 3.16 0.00 -0.81 -1.08 4.39 -1.75 -3.24 114.58 115.25 2dxm h GLU 43 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2dxm h GLU 43 Cb 0.74 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.33 2dxm h GLU 43 CO 0.66 0.26 0.13 -1.13 -1.16 0.00 0.00 179.01 177.76 2dxm n SER 44 N -3.23 3.90 -0.00 1.42 3.41 -1.26 -4.19 113.62 113.67 2dxm n SER 44 Ca 0.02 -2.73 0.09 0.00 -0.26 0.00 0.00 58.87 55.99 2dxm n SER 44 Cb 0.57 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 2dxm n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2dxm n PHE 45 N 0.11 0.00 0.00 7.33 0.99 -1.22 -5.10 117.46 119.57 2dxm n PHE 45 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 2dxm n PHE 45 Cb 0.99 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 39.39 2dxm n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2dxm n GLY 46 N 1.44 0.62 3.61 1.37 0.00 -1.26 -4.76 105.19 106.21 2dxm n GLY 46 Ca 0.02 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 2dxm n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dxm s ASP 47 N -4.00 6.35 -0.06 1.61 3.68 -1.26 -4.85 116.67 118.14 2dxm s ASP 47 Ca 0.00 1.00 0.08 0.00 2.13 0.00 0.00 52.55 55.77 2dxm s ASP 47 Cb 0.00 -2.54 0.13 0.00 -1.45 0.00 0.00 42.92 39.06 2dxm s ASP 47 CO 0.00 -1.39 1.03 0.18 0.13 0.00 0.00 175.17 175.12 2dxm n LEU 48 N 8.74 1.17 -0.10 -1.34 4.77 -1.26 -4.10 117.00 124.88 2dxm n LEU 48 Ca 0.17 -1.92 -0.13 0.00 -0.03 0.00 0.00 56.01 54.10 2dxm n LEU 48 Cb 0.47 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2dxm n LEU 48 CO 0.68 0.45 0.55 0.77 -1.33 0.00 0.00 177.39 178.52 2dxm h SER 49 N 0.00 0.81 -2.13 -1.43 4.64 -1.94 -3.45 113.55 110.05 2dxm h SER 49 Ca 0.00 -0.48 -0.59 0.00 -0.47 0.00 0.00 61.79 60.26 2dxm h SER 49 Cb 1.14 -0.23 -0.12 0.00 -0.31 0.00 0.00 62.40 62.88 2dxm h SER 49 CO 0.00 1.12 -0.68 0.42 -0.87 0.00 0.00 176.83 176.82 2dxm s THR 50 N -4.34 2.82 0.22 2.95 -4.23 -1.26 -5.05 115.64 106.75 2dxm s THR 50 Ca -0.12 -2.13 -0.08 0.00 -1.18 0.00 0.00 61.69 58.18 2dxm s THR 50 Cb 0.09 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.51 2dxm s THR 50 CO 0.84 -0.34 1.86 -0.65 -0.54 0.00 0.00 174.62 175.80 2dxm h PRO 51 N 2.02 1.18 0.00 3.99 0.11 -1.98 -1.88 132.00 135.44 2dxm h PRO 51 Ca -0.42 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 2dxm h PRO 51 Cb 1.25 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2dxm h PRO 51 CO 0.62 0.84 -0.38 -0.44 -0.21 0.00 0.00 178.00 178.43 2dxm h ASP 52 N 1.19 0.00 0.08 -2.05 3.32 -1.99 -2.08 116.42 114.90 2dxm h ASP 52 Ca 0.31 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.14 2dxm h ASP 52 Cb -0.03 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.53 2dxm h ASP 52 CO -0.06 0.38 -0.84 0.00 -1.72 0.00 0.00 179.24 177.01 2dxm h ALA 53 N 1.62 0.38 -0.06 3.45 0.00 -1.78 -1.93 119.26 120.95 2dxm h ALA 53 Ca -0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2dxm h ALA 53 Cb 0.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2dxm h ALA 53 CO 0.05 0.73 -0.02 0.28 0.00 0.00 0.00 179.25 180.29 2dxm h VAL 54 N 0.39 1.31 0.00 0.00 2.07 -1.15 -2.04 116.25 116.83 2dxm h VAL 54 Ca -0.06 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 2dxm h VAL 54 Cb 1.45 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2dxm h VAL 54 CO 0.16 0.27 -0.27 0.24 0.02 0.00 0.00 177.57 177.99 2dxm h MET 55 N -0.26 0.00 -0.02 1.57 2.07 -1.44 -2.53 114.93 114.32 2dxm h MET 55 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2dxm h MET 55 Cb 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 2dxm h MET 55 CO 0.01 0.27 -0.05 0.41 1.07 0.00 0.00 176.91 178.61 2dxm n GLY 56 N -0.60 0.22 3.66 8.32 0.00 -0.72 -4.89 105.19 111.18 2dxm n GLY 56 Ca -0.02 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2dxm n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dxm s ASN 57 N -2.07 6.84 0.47 1.61 3.84 -0.77 -4.89 114.94 119.96 2dxm s ASN 57 Ca 0.33 1.93 0.25 0.00 0.21 0.00 0.00 52.86 55.58 2dxm s ASN 57 Cb 0.20 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.49 2dxm s ASN 57 CO 0.36 -0.81 1.92 1.55 -2.79 0.00 0.00 177.10 177.33 2dxm h PRO 58 N 8.63 0.00 0.00 0.43 0.13 -1.90 -2.34 132.00 136.95 2dxm h PRO 58 Ca -0.32 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.67 2dxm h PRO 58 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2dxm h PRO 58 CO 0.96 0.20 -0.63 0.87 -0.23 0.00 0.00 178.00 179.17 2dxm h LYS 59 N 0.00 0.00 -0.08 0.86 1.57 -1.90 -1.61 116.57 115.41 2dxm h LYS 59 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2dxm h LYS 59 Cb 0.58 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.91 2dxm h LYS 59 CO 0.03 0.63 -0.88 0.28 -0.57 0.00 0.00 179.45 178.94 2dxm h VAL 60 N 0.00 1.28 -0.46 0.50 2.07 -1.80 -2.72 116.25 115.11 2dxm h VAL 60 Ca -0.01 -2.08 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 2dxm h VAL 60 Cb 1.41 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 2dxm h VAL 60 CO 0.08 0.65 0.15 0.11 0.02 0.00 0.00 177.57 178.59 2dxm h LYS 61 N 0.45 0.72 -0.59 1.57 1.57 -1.34 -2.19 116.57 116.77 2dxm h LYS 61 Ca -0.09 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 2dxm h LYS 61 Cb 1.52 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 2dxm h LYS 61 CO 0.18 0.68 0.01 0.00 -0.57 0.00 0.00 179.45 179.74 2dxm h ALA 62 N 1.01 0.90 -0.16 3.86 0.00 -1.34 -2.79 119.26 120.74 2dxm h ALA 62 Ca 0.15 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2dxm h ALA 62 Cb 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2dxm h ALA 62 CO -0.01 0.65 -0.66 1.25 0.00 0.00 0.00 179.25 180.49 2dxm h HIS 63 N 0.93 0.80 -0.04 0.00 -0.00 -1.40 -3.01 115.15 112.43 2dxm h HIS 63 Ca 0.17 -0.32 -0.03 0.00 -0.00 0.00 0.00 60.37 60.18 2dxm h HIS 63 Cb 0.53 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2dxm h HIS 63 CO 0.04 1.10 -0.13 0.78 -0.00 0.00 0.00 177.93 179.71 2dxm h GLY 64 N 0.95 0.07 1.31 5.26 0.00 -1.34 -1.86 103.07 107.45 2dxm h GLY 64 Ca -0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 2dxm h GLY 64 CO 0.13 0.03 -0.33 1.70 0.00 0.00 0.00 176.54 178.07 2dxm h LYS 65 N 0.06 0.77 -0.08 4.80 3.64 -1.40 -2.04 116.57 122.33 2dxm h LYS 65 Ca 0.01 -0.37 -0.14 0.00 -1.27 0.00 0.00 60.65 58.88 2dxm h LYS 65 Cb 0.28 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dxm h LYS 65 CO 0.02 0.99 -0.50 0.87 -2.27 0.00 0.00 179.45 178.56 2dxm h LYS 66 N 0.65 0.47 0.13 1.90 1.57 -1.33 -2.34 116.57 117.63 2dxm h LYS 66 Ca 0.07 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2dxm h LYS 66 Cb 0.87 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2dxm h LYS 66 CO 0.08 1.05 -0.06 0.28 -0.57 0.00 0.00 179.45 180.22 2dxm h VAL 67 N 0.04 0.90 -0.04 0.50 2.07 -1.38 -1.57 116.25 116.76 2dxm h VAL 67 Ca -0.04 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2dxm h VAL 67 Cb 1.16 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2dxm h VAL 67 CO 0.10 0.03 -0.35 0.25 0.02 0.00 0.00 177.57 177.62 2dxm h LEU 68 N -0.24 0.08 -0.77 2.57 5.85 -1.48 -1.59 115.31 119.74 2dxm h LEU 68 Ca -0.02 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2dxm h LEU 68 Cb 0.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2dxm h LEU 68 CO 0.03 0.43 0.31 1.23 -0.34 0.00 0.00 178.44 180.10 2dxm h GLY 69 N 1.09 1.23 1.79 3.75 0.00 -1.10 0.16 103.07 110.00 2dxm h GLY 69 Ca 0.01 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 2dxm h GLY 69 CO 0.05 0.63 -0.50 0.00 0.00 0.00 0.00 176.54 176.71 2dxm h ALA 70 N 1.16 1.00 -0.43 3.60 0.00 -0.86 -2.26 119.26 121.47 2dxm h ALA 70 Ca 0.26 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 2dxm h ALA 70 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2dxm h ALA 70 CO -0.02 0.66 -0.30 0.35 0.00 0.00 0.00 179.25 179.94 2dxm h PHE 71 N 0.18 1.12 -0.71 0.00 3.57 -0.76 -3.02 116.94 117.31 2dxm h PHE 71 Ca 0.01 -0.30 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 2dxm h PHE 71 Cb 0.95 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2dxm h PHE 71 CO 0.02 1.12 0.38 0.77 -2.23 0.00 0.00 178.31 178.37 2dxm h SER 72 N 0.80 0.90 0.64 0.41 0.02 -0.46 -2.20 113.55 113.67 2dxm h SER 72 Ca 0.09 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2dxm h SER 72 Cb 0.88 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2dxm h SER 72 CO 0.08 0.74 -0.09 0.44 -1.14 0.00 0.00 176.83 176.87 2dxm h ASP 73 N 0.98 0.00 1.41 3.07 3.32 -1.34 -2.45 116.42 121.42 2dxm h ASP 73 Ca 0.25 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 2dxm h ASP 73 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2dxm h ASP 73 CO -0.04 0.09 -0.60 1.23 -1.72 0.00 0.00 179.24 178.19 2dxm h GLY 74 N 1.38 0.00 2.00 2.75 0.00 -1.28 -3.29 103.07 104.62 2dxm h GLY 74 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2dxm h GLY 74 CO 0.01 0.00 -0.15 -2.00 0.00 0.00 0.00 176.54 174.40 2dxm h LEU 75 N 0.00 0.00 0.00 3.11 5.85 -1.16 -0.98 115.31 122.13 2dxm h LEU 75 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2dxm h LEU 75 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2dxm h LEU 75 CO 0.02 0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 2dxm n ALA 76 N -2.33 2.44 -2.84 1.25 0.00 -1.24 -3.84 120.51 113.96 2dxm n ALA 76 Ca -0.02 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 2dxm n ALA 76 Cb 0.25 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 2dxm n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dxm n HIS 77 N -1.33 1.92 0.30 0.00 8.25 -0.37 -4.90 115.22 119.08 2dxm n HIS 77 Ca 0.13 -3.41 0.18 0.00 -0.26 0.00 0.00 57.72 54.36 2dxm n HIS 77 Cb 0.26 -0.35 0.81 0.00 1.12 0.00 0.00 29.99 31.83 2dxm n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2dxm h LEU 78 N 2.91 0.00 -0.65 2.41 3.38 -1.66 -2.89 115.31 118.82 2dxm h LEU 78 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2dxm h LEU 78 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2dxm h LEU 78 CO 0.64 0.00 -0.41 0.44 0.09 0.00 0.00 178.44 179.20 2dxm h ASP 79 N 0.00 0.00 -1.73 -0.43 5.19 -1.90 -2.03 116.42 115.51 2dxm h ASP 79 Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 2dxm h ASP 79 Cb 0.37 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.53 2dxm h ASP 79 CO 0.00 0.41 -0.99 -3.20 -3.12 0.00 0.00 179.24 172.34 2dxm n ASN 80 N -3.41 -0.46 0.13 6.45 5.15 -1.09 -4.61 115.26 117.41 2dxm n ASN 80 Ca 0.01 -2.74 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 2dxm n ASN 80 Cb 0.58 -0.21 0.29 0.00 -0.53 0.00 0.00 39.78 39.91 2dxm n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2dxm h LEU 81 N 4.25 0.14 -0.33 1.20 3.38 -1.74 -2.99 115.31 119.22 2dxm h LEU 81 Ca 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2dxm h LEU 81 Cb 0.91 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2dxm h LEU 81 CO 0.42 0.51 0.07 0.11 0.09 0.00 0.00 178.44 179.65 2dxm h LYS 82 N 0.12 0.53 -0.06 1.13 1.57 -1.92 -2.33 116.57 115.61 2dxm h LYS 82 Ca 0.01 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 2dxm h LYS 82 Cb 0.73 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2dxm h LYS 82 CO 0.05 0.60 -0.58 0.78 -0.57 0.00 0.00 179.45 179.73 2dxm h GLY 83 N 0.38 0.23 0.72 3.86 0.00 -1.95 -2.74 103.07 103.56 2dxm h GLY 83 Ca 0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 2dxm h GLY 83 CO 0.00 0.24 -0.14 -0.84 0.00 0.00 0.00 176.54 175.81 2dxm h THR 84 N 0.16 1.35 -0.48 4.70 2.02 -1.44 -3.28 112.91 115.94 2dxm h THR 84 Ca -0.00 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2dxm h THR 84 Cb 1.07 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 2dxm h THR 84 CO 0.09 0.38 0.00 0.49 0.37 0.00 0.00 175.52 176.85 2dxm n PHE 85 N -4.58 0.71 -0.17 3.16 3.01 -0.89 -4.50 117.46 114.21 2dxm n PHE 85 Ca -0.06 -0.34 -0.02 0.00 1.01 0.00 0.00 57.45 58.04 2dxm n PHE 85 Cb 0.36 -0.03 0.08 0.00 -0.01 0.00 0.00 39.48 39.87 2dxm n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dxm h ALA 86 N 3.85 0.65 -0.12 4.37 0.00 -1.55 0.35 119.26 126.81 2dxm h ALA 86 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dxm h ALA 86 Cb 0.72 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dxm h ALA 86 CO 0.03 -0.24 0.04 1.15 0.00 0.00 0.00 179.25 180.23 2dxm h THR 87 N 0.33 1.17 -0.49 0.00 2.02 -1.85 -2.34 112.91 111.74 2dxm h THR 87 Ca 0.27 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2dxm h THR 87 Cb 0.33 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2dxm h THR 87 CO -0.29 0.15 0.19 -0.07 0.37 0.00 0.00 175.52 175.86 2dxm h LEU 88 N 0.01 0.65 -0.27 2.58 3.38 -1.76 -1.79 115.31 118.11 2dxm h LEU 88 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dxm h LEU 88 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2dxm h LEU 88 CO -0.00 0.60 0.13 -1.28 0.09 0.00 0.00 178.44 177.98 2dxm h SER 89 N 0.71 0.36 0.10 -0.43 0.87 -0.75 -0.78 113.55 113.63 2dxm h SER 89 Ca 0.17 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2dxm h SER 89 Cb 0.16 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2dxm h SER 89 CO -0.01 0.38 -0.22 -0.08 -0.53 0.00 0.00 176.83 176.36 2dxm h GLU 90 N 0.31 0.23 -0.05 2.24 4.81 -1.09 -2.61 114.58 118.41 2dxm h GLU 90 Ca 0.09 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2dxm h GLU 90 Cb 0.12 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2dxm h GLU 90 CO -0.01 0.45 -0.12 1.25 -0.73 0.00 0.00 179.01 179.84 2dxm h LEU 91 N 0.21 0.20 -2.06 1.64 5.85 -0.88 -1.23 115.31 119.03 2dxm h LEU 91 Ca 0.04 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2dxm h LEU 91 Cb 0.52 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2dxm h LEU 91 CO 0.04 0.75 -0.06 0.45 -0.34 0.00 0.00 178.44 179.27 2dxm h HIS 92 N -0.34 0.00 0.00 1.25 3.86 -1.09 -2.10 115.15 116.73 2dxm h HIS 92 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2dxm h HIS 92 Cb 0.72 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2dxm h HIS 92 CO 0.12 0.06 -0.65 0.00 0.86 0.00 0.00 177.93 178.32 2dxm h ASP 94 N -1.00 0.76 0.00 0.00 3.32 -1.27 -3.29 116.42 114.94 2dxm h ASP 94 Ca -0.09 -0.54 -0.19 0.00 0.02 0.00 0.00 57.03 56.22 2dxm h ASP 94 Cb 0.69 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2dxm h ASP 94 CO -0.06 1.33 -1.72 0.29 -1.72 0.00 0.00 179.24 177.36 2dxm n LYS 95 N -3.86 1.94 0.02 3.56 5.02 -0.85 -4.72 118.16 119.28 2dxm n LYS 95 Ca -0.07 0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.20 2dxm n LYS 95 Cb 0.79 -1.27 -0.10 0.00 -0.02 0.00 0.00 35.03 34.44 2dxm n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2dxm h LEU 96 N 0.00 0.00 -1.20 -0.35 3.38 -1.52 -3.49 115.31 112.14 2dxm h LEU 96 Ca -0.28 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.30 2dxm h LEU 96 Cb 1.60 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.48 2dxm h LEU 96 CO 0.00 0.73 -0.73 1.41 0.09 0.00 0.00 178.44 179.94 2dxm n HIS 97 N -2.98 -2.52 -3.24 1.13 8.25 -0.58 -4.97 115.22 110.31 2dxm n HIS 97 Ca -0.11 0.97 -0.40 0.00 -0.26 0.00 0.00 57.72 57.92 2dxm n HIS 97 Cb 0.91 -4.89 -0.08 0.00 1.12 0.00 0.00 29.99 27.05 2dxm n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dxm s VAL 98 N -3.36 5.04 0.12 1.59 1.01 -0.57 -5.03 120.40 119.21 2dxm s VAL 98 Ca 0.36 0.68 -0.32 0.00 0.00 0.00 0.00 61.98 62.71 2dxm s VAL 98 Cb -0.16 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 2dxm s VAL 98 CO 0.75 -0.03 1.81 -0.67 0.00 0.00 0.00 175.10 176.96 2dxm n ASP 99 N 5.63 3.93 0.33 3.32 4.64 -1.26 -4.78 116.55 128.35 2dxm n ASP 99 Ca -0.04 1.00 0.15 0.00 -1.38 0.00 0.00 54.79 54.52 2dxm n ASP 99 Cb 0.49 -1.53 0.81 0.00 -1.04 0.00 0.00 41.12 39.85 2dxm n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2dxm h PRO 100 N 8.26 0.00 0.00 -0.67 0.11 -1.97 -2.37 132.00 135.36 2dxm h PRO 100 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2dxm h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dxm h PRO 100 CO 0.94 0.00 -0.12 1.49 -0.21 0.00 0.00 178.00 180.11 2dxm h GLU 101 N 0.00 0.00 -0.15 1.05 4.57 -1.97 -2.40 114.58 115.68 2dxm h GLU 101 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2dxm h GLU 101 Cb 0.64 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2dxm h GLU 101 CO 0.00 0.12 -0.13 -0.91 -1.18 0.00 0.00 179.01 176.91 2dxm h ASN 102 N 0.00 0.22 -0.07 1.04 2.35 -1.80 -2.40 115.58 114.92 2dxm h ASN 102 Ca -0.00 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 2dxm h ASN 102 Cb 0.34 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2dxm h ASN 102 CO 0.02 0.37 -0.15 -0.26 -1.65 0.00 0.00 177.43 175.76 2dxm h PHE 103 N 0.22 0.44 -0.13 1.19 0.04 -1.64 -2.07 116.94 114.99 2dxm h PHE 103 Ca 0.05 -0.06 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 2dxm h PHE 103 Cb 0.37 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.41 2dxm h PHE 103 CO 0.01 0.54 -0.80 0.00 -0.60 0.00 0.00 178.31 177.46 2dxm h ARG 104 N 0.38 0.72 -0.53 1.51 3.08 -1.54 -2.56 114.38 115.44 2dxm h ARG 104 Ca 0.07 -0.60 -0.09 0.00 0.07 0.00 0.00 59.98 59.43 2dxm h ARG 104 Cb 0.48 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2dxm h ARG 104 CO 0.03 1.21 -0.02 -0.07 -1.07 0.00 0.00 179.97 180.06 2dxm h LEU 105 N 0.48 0.93 -0.65 3.04 3.38 -1.28 -2.76 115.31 118.44 2dxm h LEU 105 Ca -0.06 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 2dxm h LEU 105 Cb 1.42 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2dxm h LEU 105 CO 0.16 1.02 0.18 0.25 0.09 0.00 0.00 178.44 180.13 2dxm h LEU 106 N 0.81 0.97 -1.32 1.67 5.85 -1.42 -2.06 115.31 119.81 2dxm h LEU 106 Ca 0.15 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2dxm h LEU 106 Cb 0.55 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2dxm h LEU 106 CO 0.03 0.94 0.48 1.23 -0.34 0.00 0.00 178.44 180.78 2dxm h GLY 107 N 0.95 1.01 1.61 3.75 0.00 -1.29 -0.01 103.07 109.09 2dxm h GLY 107 Ca 0.21 -0.35 -0.24 0.00 0.00 0.00 0.00 47.33 46.95 2dxm h GLY 107 CO -0.00 0.30 -1.04 3.43 0.00 0.00 0.00 176.54 179.23 2dxm h ASN 108 N 0.88 0.45 -0.10 0.19 2.35 -1.23 -2.95 115.58 115.16 2dxm h ASN 108 Ca 0.29 -0.40 -0.12 0.00 -0.55 0.00 0.00 56.30 55.51 2dxm h ASN 108 Cb 0.07 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2dxm h ASN 108 CO -0.09 1.24 -0.34 0.58 -1.65 0.00 0.00 177.43 177.17 2dxm h VAL 109 N 0.16 1.29 -0.30 2.81 2.07 -0.92 -2.47 116.25 118.88 2dxm h VAL 109 Ca -0.09 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 2dxm h VAL 109 Cb 1.71 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2dxm h VAL 109 CO 0.17 0.47 -0.11 0.25 0.02 0.00 0.00 177.57 178.38 2dxm h LEU 110 N 0.51 0.49 -0.73 2.57 5.85 -1.03 -1.29 115.31 121.68 2dxm h LEU 110 Ca 0.05 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 2dxm h LEU 110 Cb 0.84 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2dxm h LEU 110 CO 0.07 0.63 -0.38 0.58 -0.34 0.00 0.00 178.44 179.01 2dxm h VAL 111 N 0.47 1.30 0.00 1.05 2.07 -1.31 -1.18 116.25 118.65 2dxm h VAL 111 Ca 0.09 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 2dxm h VAL 111 Cb 0.47 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2dxm h VAL 111 CO 0.03 0.48 -0.25 0.00 0.02 0.00 0.00 177.57 177.85 2dxm h VAL 113 N 0.00 1.18 -0.08 0.00 2.07 -0.86 -2.77 116.25 115.80 2dxm h VAL 113 Ca -0.00 -2.78 -0.09 0.00 0.82 0.00 0.00 66.70 64.65 2dxm h VAL 113 Cb 0.82 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 2dxm h VAL 113 CO 0.03 0.83 -0.37 -0.07 0.02 0.00 0.00 177.57 178.02 2dxm h LEU 114 N 0.08 0.16 -0.17 2.57 3.38 -1.16 -2.18 115.31 117.98 2dxm h LEU 114 Ca -0.24 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.49 2dxm h LEU 114 Cb 2.04 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.75 2dxm h LEU 114 CO 0.18 0.52 -0.59 0.00 0.09 0.00 0.00 178.44 178.64 2dxm h ALA 115 N 1.49 0.30 -0.44 1.53 0.00 -1.52 -2.29 119.26 118.35 2dxm h ALA 115 Ca 0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2dxm h ALA 115 Cb 0.72 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2dxm h ALA 115 CO 0.05 0.55 0.23 1.25 0.00 0.00 0.00 179.25 181.33 2dxm h HIS 116 N 0.41 0.61 -0.11 0.00 -0.00 -1.32 -0.69 115.15 114.06 2dxm h HIS 116 Ca -0.03 -0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.16 2dxm h HIS 116 Cb 1.22 -0.19 0.01 0.00 -0.00 0.00 0.00 27.41 28.45 2dxm h HIS 116 CO 0.09 0.48 -0.56 1.25 -0.00 0.00 0.00 177.93 179.19 2dxm h HIS 117 N 0.57 0.77 0.00 5.26 6.17 -1.45 -3.36 115.15 123.11 2dxm h HIS 117 Ca 0.15 -0.34 0.00 0.00 0.71 0.00 0.00 60.37 60.89 2dxm h HIS 117 Cb 0.08 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.89 2dxm h HIS 117 CO -0.02 1.13 -0.92 1.19 0.71 0.00 0.00 177.93 180.02 2dxm n PHE 118 N -4.18 0.22 0.00 5.26 3.01 -0.86 -5.04 117.46 115.87 2dxm n PHE 118 Ca -0.08 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2dxm n PHE 118 Cb 0.63 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2dxm n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dxm n GLY 119 N 1.40 4.01 0.28 1.37 0.00 -0.27 -2.53 105.19 109.45 2dxm n GLY 119 Ca 0.03 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2dxm n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dxm h LYS 120 N 0.00 0.00 -0.47 1.61 2.10 -1.96 -2.61 116.57 115.23 2dxm h LYS 120 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 2dxm h LYS 120 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 2dxm h LYS 120 CO 0.00 0.07 0.31 1.49 -2.00 0.00 0.00 179.45 179.32 2dxm h GLU 121 N 0.00 0.50 -4.01 0.07 4.81 -1.89 -3.26 114.58 110.80 2dxm h GLU 121 Ca -0.00 -0.03 -0.73 0.00 -0.13 0.00 0.00 59.36 58.47 2dxm h GLU 121 Cb 0.17 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.34 2dxm h GLU 121 CO 0.01 0.33 2.48 0.34 -0.73 0.00 0.00 179.01 181.45 2dxm n PHE 122 N -4.48 3.49 -1.48 0.92 7.35 -0.98 -4.95 117.46 117.33 2dxm n PHE 122 Ca 0.05 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.53 2dxm n PHE 122 Cb 0.15 -2.29 0.10 0.00 0.35 0.00 0.00 39.48 37.79 2dxm n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dxm s THR 123 N 2.03 3.03 0.25 -2.13 -4.23 -1.23 -4.75 115.64 108.60 2dxm s THR 123 Ca 0.44 0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 61.26 2dxm s THR 123 Cb 0.10 -3.03 0.24 0.00 1.34 0.00 0.00 72.50 71.15 2dxm s THR 123 CO -0.03 -0.44 1.71 -0.65 -0.54 0.00 0.00 174.62 174.67 2dxm h PRO 124 N -1.16 0.36 -0.64 3.99 0.11 -1.93 -1.61 132.00 131.12 2dxm h PRO 124 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2dxm h PRO 124 Cb 1.27 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2dxm h PRO 124 CO 0.58 0.24 0.21 -1.35 -0.21 0.00 0.00 178.00 177.47 2dxm h PRO 125 N 0.37 0.97 -0.62 1.05 0.11 -1.99 -1.56 132.00 130.34 2dxm h PRO 125 Ca 0.44 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 2dxm h PRO 125 Cb 0.74 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2dxm h PRO 125 CO -0.47 0.82 0.22 0.28 -0.21 0.00 0.00 178.00 178.65 2dxm h VAL 126 N 0.94 1.24 -0.25 3.15 2.07 -1.74 -2.44 116.25 119.21 2dxm h VAL 126 Ca 0.21 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2dxm h VAL 126 Cb 0.26 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2dxm h VAL 126 CO -0.01 0.30 -0.15 -0.61 0.02 0.00 0.00 177.57 177.12 2dxm h GLN 127 N 0.87 0.43 -0.12 1.57 4.15 -0.97 -2.01 115.11 119.03 2dxm h GLN 127 Ca 0.20 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 2dxm h GLN 127 Cb 0.25 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2dxm h GLN 127 CO -0.01 0.58 -0.33 0.00 -1.93 0.00 0.00 178.83 177.14 2dxm h ALA 128 N 1.45 1.22 0.00 3.38 0.00 -0.84 -0.81 119.26 123.66 2dxm h ALA 128 Ca 0.07 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 2dxm h ALA 128 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2dxm h ALA 128 CO 0.03 0.52 -0.88 0.00 0.00 0.00 0.00 179.25 178.92 2dxm h ALA 129 N 1.46 0.50 0.00 0.00 0.00 -1.04 -3.15 119.26 117.03 2dxm h ALA 129 Ca 0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 2dxm h ALA 129 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2dxm h ALA 129 CO 0.05 0.89 -0.77 1.88 0.00 0.00 0.00 179.25 181.30 2dxm h TYR 130 N 0.13 0.00 -0.40 0.00 0.05 -1.03 -2.93 116.97 112.78 2dxm h TYR 130 Ca -0.05 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.63 2dxm h TYR 130 Cb 1.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.23 2dxm h TYR 130 CO 0.03 0.77 -0.15 1.96 -1.05 0.00 0.00 178.16 179.73 2dxm h GLN 131 N 0.00 0.73 -0.76 4.88 1.08 -1.18 -2.04 115.11 117.83 2dxm h GLN 131 Ca -0.01 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 56.88 2dxm h GLN 131 Cb 1.52 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.86 2dxm h GLN 131 CO 0.10 0.85 0.25 0.87 -0.95 0.00 0.00 178.83 179.94 2dxm h LYS 132 N 0.66 1.17 0.03 1.46 1.57 -1.51 -1.99 116.57 117.96 2dxm h LYS 132 Ca 0.11 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2dxm h LYS 132 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2dxm h LYS 132 CO 0.04 0.99 -0.02 0.28 -0.57 0.00 0.00 179.45 180.18 2dxm h VAL 133 N 1.13 1.28 -0.00 0.50 2.07 -1.30 -2.54 116.25 117.38 2dxm h VAL 133 Ca 0.25 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 2dxm h VAL 133 Cb 0.30 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2dxm h VAL 133 CO -0.01 0.26 -0.21 -0.37 0.02 0.00 0.00 177.57 177.26 2dxm h VAL 134 N -0.49 1.16 -0.20 2.57 -1.51 -1.35 -1.03 116.25 115.39 2dxm h VAL 134 Ca -0.00 -0.74 -0.16 0.00 -1.23 0.00 0.00 66.70 64.57 2dxm h VAL 134 Cb 0.46 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2dxm h VAL 134 CO 0.01 0.21 -0.52 0.00 -1.23 0.00 0.00 177.57 176.04 2dxm h ALA 135 N 1.78 0.72 -0.07 5.19 0.00 -1.37 -2.11 119.26 123.40 2dxm h ALA 135 Ca -0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2dxm h ALA 135 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dxm h ALA 135 CO 0.03 0.68 -0.83 0.78 0.00 0.00 0.00 179.25 179.90 2dxm h GLY 136 N 1.05 0.62 1.47 0.00 0.00 -0.92 -2.49 103.07 102.81 2dxm h GLY 136 Ca 0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 47.33 46.27 2dxm h GLY 136 CO 0.10 0.84 -0.38 -2.08 0.00 0.00 0.00 176.54 175.03 2dxm h VAL 137 N 0.36 1.29 -0.25 4.60 2.07 -1.21 -1.92 116.25 121.19 2dxm h VAL 137 Ca -0.06 -1.53 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 2dxm h VAL 137 Cb 1.45 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2dxm h VAL 137 CO 0.15 0.48 -0.27 0.00 0.02 0.00 0.00 177.57 177.96 2dxm h ALA 138 N 1.10 1.07 0.00 1.67 0.00 -1.35 -2.49 119.26 119.26 2dxm h ALA 138 Ca 0.05 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2dxm h ALA 138 Cb 0.87 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dxm h ALA 138 CO 0.08 0.57 -0.92 -0.91 0.00 0.00 0.00 179.25 178.06 2dxm h ASN 139 N 0.43 0.00 0.17 0.00 2.35 -1.27 -2.67 115.58 114.59 2dxm h ASN 139 Ca 0.06 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 2dxm h ASN 139 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2dxm h ASN 139 CO 0.05 0.92 -0.58 0.00 -1.65 0.00 0.00 177.43 176.17 2dxm h ALA 140 N 1.08 0.75 0.00 -0.83 0.00 -1.24 -2.20 119.26 116.82 2dxm h ALA 140 Ca -0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 2dxm h ALA 140 Cb 1.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2dxm h ALA 140 CO 0.12 0.71 -0.59 -0.07 0.00 0.00 0.00 179.25 179.42 2dxm h LEU 141 N 0.32 0.00 -2.57 0.00 3.38 -1.46 -3.09 115.31 111.88 2dxm h LEU 141 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dxm h LEU 141 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2dxm h LEU 141 CO 0.10 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2dxm n ALA 142 N -2.29 2.73 -0.03 1.53 0.00 -1.01 -4.46 120.51 116.97 2dxm n ALA 142 Ca 0.01 -1.26 -0.14 0.00 0.00 0.00 0.00 53.44 52.05 2dxm n ALA 142 Cb 0.70 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 2dxm n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dxm h HIS 143 N 3.67 0.19 -0.22 0.00 6.17 -1.31 -3.28 115.15 120.37 2dxm h HIS 143 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.00 2dxm h HIS 143 Cb 1.09 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.99 2dxm h HIS 143 CO 0.56 0.74 0.00 1.63 0.71 0.00 0.00 177.93 181.57 2dxm n LYS 144 N -4.65 1.59 -2.14 5.26 4.76 -1.26 -4.85 118.16 116.87 2dxm n LYS 144 Ca -0.08 -0.82 -0.43 0.00 -2.87 0.00 0.00 58.31 54.11 2dxm n LYS 144 Cb 0.38 -1.24 -0.02 0.00 -1.84 0.00 0.00 35.03 32.31 2dxm n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2dxm s TYR 145 N -1.68 2.09 -1.05 2.13 2.02 -1.24 -4.82 117.35 114.80 2dxm s TYR 145 Ca 0.15 0.62 0.08 0.00 -0.37 0.00 0.00 57.07 57.55 2dxm s TYR 145 Cb 0.08 -4.10 0.07 0.00 -0.40 0.00 0.00 41.96 37.61 2dxm s TYR 145 CO 0.10 -2.68 0.77 -2.39 -1.57 0.00 0.00 175.55 169.77