#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhr s LEU 2 N 0.00 4.13 0.99 6.55 1.43 -1.26 -5.08 118.68 125.44 3dhr s LEU 2 Ca 0.00 0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 3dhr s LEU 2 Cb 0.00 -2.44 0.19 0.00 0.03 0.00 0.00 46.19 43.97 3dhr s LEU 2 CO 0.00 -0.07 1.19 -0.94 0.23 0.00 0.00 176.35 176.76 3dhr s SER 3 N 1.12 2.86 0.38 2.29 1.04 -1.26 -4.87 113.70 115.26 3dhr s SER 3 Ca 0.17 0.66 0.10 0.00 0.48 0.00 0.00 55.95 57.36 3dhr s SER 3 Cb -0.15 -1.00 0.76 0.00 0.10 0.00 0.00 66.02 65.73 3dhr s SER 3 CO 0.08 -2.93 1.88 0.00 0.98 0.00 0.00 173.24 173.25 3dhr h ALA 4 N -1.76 1.46 -0.42 5.32 0.00 -2.00 -2.34 119.26 119.53 3dhr h ALA 4 Ca -0.47 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 3dhr h ALA 4 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3dhr h ALA 4 CO 0.49 0.38 -0.29 -0.91 0.00 0.00 0.00 179.25 178.92 3dhr h ASN 5 N 0.17 0.94 -0.27 0.00 2.35 -1.99 -2.71 115.58 114.06 3dhr h ASN 5 Ca 0.03 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 3dhr h ASN 5 Cb 0.46 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3dhr h ASN 5 CO 0.03 1.15 0.10 0.44 -1.65 0.00 0.00 177.43 177.51 3dhr h ASP 6 N 0.76 0.38 -0.68 5.81 3.32 -1.84 -0.72 116.42 123.45 3dhr h ASP 6 Ca 0.09 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3dhr h ASP 6 Cb 0.85 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3dhr h ASP 6 CO 0.07 0.45 0.45 0.11 -1.72 0.00 0.00 179.24 178.61 3dhr h LYS 7 N 0.29 0.89 -0.58 3.56 1.57 -1.48 0.14 116.57 120.96 3dhr h LYS 7 Ca 0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3dhr h LYS 7 Cb 0.19 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dhr h LYS 7 CO -0.01 0.59 0.20 1.03 -0.57 0.00 0.00 179.45 180.70 3dhr h SER 8 N 0.92 0.83 -0.02 0.86 0.87 -1.37 -1.12 113.55 114.51 3dhr h SER 8 Ca 0.25 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3dhr h SER 8 Cb -0.10 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.64 3dhr h SER 8 CO -0.06 0.80 0.01 0.78 -0.53 0.00 0.00 176.83 177.84 3dhr h ASN 9 N 0.81 0.03 -0.44 6.23 -0.26 -0.69 -1.59 115.58 119.67 3dhr h ASN 9 Ca 0.19 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 3dhr h ASN 9 Cb 0.26 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 3dhr h ASN 9 CO -0.01 0.08 0.24 0.58 -1.06 0.00 0.00 177.43 177.27 3dhr h VAL 10 N -0.03 1.16 -0.19 2.81 2.07 -0.65 -1.11 116.25 120.30 3dhr h VAL 10 Ca 0.01 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3dhr h VAL 10 Cb 0.06 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3dhr h VAL 10 CO -0.00 0.17 -0.06 0.11 0.02 0.00 0.00 177.57 177.81 3dhr h LYS 11 N 0.57 0.29 -0.17 1.57 1.57 -1.20 -1.84 116.57 117.37 3dhr h LYS 11 Ca 0.15 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 3dhr h LYS 11 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3dhr h LYS 11 CO -0.02 0.37 -0.44 0.00 -0.57 0.00 0.00 179.45 178.78 3dhr h ALA 12 N 1.67 0.92 -0.02 3.86 0.00 -0.76 -1.09 119.26 123.84 3dhr h ALA 12 Ca 0.06 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3dhr h ALA 12 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dhr h ALA 12 CO 0.01 0.64 0.00 0.28 0.00 0.00 0.00 179.25 180.19 3dhr h VAL 13 N 0.34 1.23 0.00 0.00 2.07 -0.65 -2.75 116.25 116.49 3dhr h VAL 13 Ca 0.02 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 3dhr h VAL 13 Cb 0.92 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3dhr h VAL 13 CO 0.08 0.18 -0.36 -0.26 0.02 0.00 0.00 177.57 177.23 3dhr h PHE 14 N -0.25 0.00 -0.44 1.57 0.04 -1.35 -1.50 116.94 115.02 3dhr h PHE 14 Ca 0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 3dhr h PHE 14 Cb 0.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3dhr h PHE 14 CO 0.02 0.36 -0.07 0.00 -0.60 0.00 0.00 178.31 178.02 3dhr h ALA 15 N 1.64 0.60 -0.17 2.45 0.00 -1.22 -0.52 119.26 122.04 3dhr h ALA 15 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3dhr h ALA 15 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3dhr h ALA 15 CO 0.05 0.45 0.06 -0.22 0.00 0.00 0.00 179.25 179.59 3dhr h LYS 16 N 0.65 0.26 -0.09 0.00 1.63 -1.23 -3.15 116.57 114.64 3dhr h LYS 16 Ca 0.11 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3dhr h LYS 16 Cb 0.60 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3dhr h LYS 16 CO 0.04 0.35 0.05 0.82 -3.45 0.00 0.00 179.45 177.26 3dhr h ILE 17 N 0.11 1.01 0.00 2.00 2.04 -1.28 -3.46 117.51 117.93 3dhr h ILE 17 Ca 0.06 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3dhr h ILE 17 Cb 0.19 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3dhr h ILE 17 CO -0.00 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.78 3dhr n GLY 18 N -1.12 3.52 0.07 5.37 0.00 -0.21 -1.40 105.19 111.42 3dhr n GLY 18 Ca -0.05 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3dhr n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhr n GLY 19 N 0.00 -1.28 0.00 -0.02 0.00 -1.26 -3.08 105.19 99.55 3dhr n GLY 19 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3dhr n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhr n GLN 20 N -1.92 0.27 -0.19 1.61 6.02 -0.49 -4.20 117.38 118.47 3dhr n GLN 20 Ca 0.04 0.07 -0.01 0.00 -0.01 0.00 0.00 57.00 57.08 3dhr n GLN 20 Cb 0.25 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.08 3dhr n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dhr h ALA 21 N 3.07 0.45 -0.47 -1.58 0.00 -1.70 -2.34 119.26 116.68 3dhr h ALA 21 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3dhr h ALA 21 Cb 0.27 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3dhr h ALA 21 CO 0.00 -0.42 0.19 0.78 0.00 0.00 0.00 179.25 179.79 3dhr h GLY 22 N 0.03 0.63 1.18 0.00 0.00 -1.88 -0.70 103.07 102.33 3dhr h GLY 22 Ca 0.29 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3dhr h GLY 22 CO -0.57 0.04 0.18 -0.55 0.00 0.00 0.00 176.54 175.64 3dhr h ASP 23 N 0.37 0.96 0.72 0.19 3.32 -1.73 -2.59 116.42 117.67 3dhr h ASP 23 Ca 0.22 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3dhr h ASP 23 Cb 0.20 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3dhr h ASP 23 CO -0.21 0.92 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.58 3dhr h LEU 24 N 0.98 0.00 -0.88 1.55 3.38 -1.02 -2.13 115.31 117.19 3dhr h LEU 24 Ca 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3dhr h LEU 24 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3dhr h LEU 24 CO -0.00 0.58 0.19 1.23 0.09 0.00 0.00 178.44 180.53 3dhr h GLY 25 N 2.02 1.09 1.25 0.83 0.00 -0.86 -1.34 103.07 106.06 3dhr h GLY 25 Ca -0.01 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.54 3dhr h GLY 25 CO 0.08 0.60 -0.36 -1.33 0.00 0.00 0.00 176.54 175.52 3dhr h GLY 26 N 1.06 0.91 1.26 4.60 0.00 -1.21 -2.76 103.07 106.92 3dhr h GLY 26 Ca 0.21 -0.89 -0.12 0.00 0.00 0.00 0.00 47.33 46.53 3dhr h GLY 26 CO -0.01 0.81 -0.21 -2.09 0.00 0.00 0.00 176.54 175.04 3dhr h GLU 27 N 0.69 0.85 -0.61 4.80 4.81 -1.26 -1.93 114.58 121.94 3dhr h GLU 27 Ca 0.06 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 3dhr h GLU 27 Cb 0.92 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3dhr h GLU 27 CO 0.08 0.98 0.27 0.00 -0.73 0.00 0.00 179.01 179.61 3dhr h ALA 28 N 1.01 0.78 -0.39 2.92 0.00 -1.23 -1.18 119.26 121.18 3dhr h ALA 28 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3dhr h ALA 28 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dhr h ALA 28 CO 0.06 0.37 0.05 -0.07 0.00 0.00 0.00 179.25 179.66 3dhr h LEU 29 N 0.83 0.63 -0.33 0.00 3.38 -1.43 -1.61 115.31 116.79 3dhr h LEU 29 Ca 0.20 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3dhr h LEU 29 Cb 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3dhr h LEU 29 CO -0.02 0.75 0.09 -0.08 0.09 0.00 0.00 178.44 179.27 3dhr h GLU 30 N 0.49 0.21 -0.45 1.13 4.81 -1.15 -1.49 114.58 118.15 3dhr h GLU 30 Ca 0.12 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3dhr h GLU 30 Cb 0.39 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3dhr h GLU 30 CO 0.01 0.14 0.08 0.00 -0.73 0.00 0.00 179.01 178.52 3dhr h ARG 31 N 0.22 0.68 -0.21 1.92 3.08 -1.16 -2.50 114.38 116.41 3dhr h ARG 31 Ca 0.15 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3dhr h ARG 31 Cb 0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3dhr h ARG 31 CO -0.17 0.64 0.11 1.25 -1.07 0.00 0.00 179.97 180.73 3dhr h LEU 32 N 0.66 0.27 -0.84 3.04 5.85 -0.64 -1.19 115.31 122.45 3dhr h LEU 32 Ca 0.15 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3dhr h LEU 32 Cb 0.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3dhr h LEU 32 CO 0.00 0.28 -0.51 -0.26 -0.34 0.00 0.00 178.44 177.62 3dhr h PHE 33 N 0.23 0.23 0.19 1.25 0.04 -1.12 0.11 116.94 117.86 3dhr h PHE 33 Ca 0.07 -0.07 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 3dhr h PHE 33 Cb 0.08 -0.05 0.03 0.00 2.20 0.00 0.00 35.95 38.21 3dhr h PHE 33 CO -0.03 0.66 -1.10 0.97 -0.60 0.00 0.00 178.31 178.20 3dhr h ILE 34 N 0.15 1.40 0.02 -0.55 2.10 -1.46 -3.18 117.51 115.99 3dhr h ILE 34 Ca 0.00 -2.60 -0.26 0.00 1.08 0.00 0.00 64.86 63.09 3dhr h ILE 34 Cb 0.95 3.13 0.02 0.00 -1.09 0.00 0.00 36.82 39.82 3dhr h ILE 34 CO 0.08 0.75 -1.05 0.74 -1.08 0.00 0.00 178.15 177.59 3dhr h THR 35 N -0.17 1.31 -2.74 2.19 2.02 -1.22 -3.39 112.91 110.91 3dhr h THR 35 Ca -0.19 -2.33 -0.61 0.00 0.77 0.00 0.00 66.41 64.05 3dhr h THR 35 Cb 1.86 2.44 -0.41 0.00 -1.74 0.00 0.00 68.15 70.30 3dhr h THR 35 CO 0.20 0.71 -0.72 -1.22 0.37 0.00 0.00 175.52 174.86 3dhr n TYR 36 N -3.82 1.90 0.32 3.16 4.01 0.39 -4.98 117.16 118.15 3dhr n TYR 36 Ca -0.10 -3.97 0.21 0.00 -0.16 0.00 0.00 57.90 53.87 3dhr n TYR 36 Cb 0.89 -0.35 1.01 0.00 -0.31 0.00 0.00 39.34 40.58 3dhr n TYR 36 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3dhr h PRO 37 N 5.28 0.00 0.00 -0.72 0.11 -1.73 -1.63 132.00 133.30 3dhr h PRO 37 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 3dhr h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3dhr h PRO 37 CO 0.62 0.00 -0.00 -0.56 -0.21 0.00 0.00 178.00 177.84 3dhr h GLN 38 N 0.00 0.00 0.00 1.05 -0.00 -1.91 -2.33 115.11 111.92 3dhr h GLN 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3dhr h GLN 38 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 3dhr h GLN 38 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 178.83 180.62 3dhr h THR 39 N 0.00 0.00 0.00 1.86 1.35 -1.62 -3.17 112.91 111.33 3dhr h THR 39 Ca -0.00 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 65.35 3dhr h THR 39 Cb 0.08 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3dhr h THR 39 CO 0.00 0.00 -0.16 0.11 -0.25 0.00 0.00 175.52 175.22 3dhr h LYS 40 N 0.00 0.00 -0.12 4.72 1.57 -1.62 -3.03 116.57 118.08 3dhr h LYS 40 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3dhr h LYS 40 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3dhr h LYS 40 CO 0.00 0.16 0.13 1.79 -0.57 0.00 0.00 179.45 180.96 3dhr h THR 41 N 0.00 0.54 0.00 -0.16 1.35 -1.76 -0.61 112.91 112.27 3dhr h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3dhr h THR 41 Cb 0.38 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3dhr h THR 41 CO 0.02 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.07 3dhr n TYR 42 N -3.89 0.09 -3.39 4.73 4.01 -1.15 -4.25 117.16 113.31 3dhr n TYR 42 Ca -0.00 0.03 -0.27 0.00 -0.16 0.00 0.00 57.90 57.50 3dhr n TYR 42 Cb 0.24 -0.55 -0.08 0.00 -0.31 0.00 0.00 39.34 38.64 3dhr n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3dhr n PHE 43 N -1.57 3.43 -0.07 -0.72 3.72 -0.24 -5.01 117.46 116.99 3dhr n PHE 43 Ca 0.05 -4.12 -0.09 0.00 -0.05 0.00 0.00 57.45 53.24 3dhr n PHE 43 Cb 0.27 -0.54 -0.07 0.00 -0.94 0.00 0.00 39.48 38.20 3dhr n PHE 43 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3dhr h PRO 44 N 4.12 -0.28 -0.79 -1.08 0.11 -1.77 -2.85 132.00 129.46 3dhr h PRO 44 Ca 0.19 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.80 3dhr h PRO 44 Cb 0.67 0.06 -0.29 0.00 0.11 0.00 0.00 31.00 31.55 3dhr h PRO 44 CO 0.82 -0.19 0.19 0.72 -0.21 0.00 0.00 178.00 179.33 3dhr n HIS 45 N -4.47 2.62 -3.30 0.65 8.25 -1.26 -4.97 115.22 112.73 3dhr n HIS 45 Ca -0.03 -2.36 -0.38 0.00 -0.26 0.00 0.00 57.72 54.69 3dhr n HIS 45 Cb 0.23 -0.89 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 3dhr n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dhr s PHE 46 N -3.58 3.67 -0.23 4.41 0.08 -1.08 -5.05 117.98 116.21 3dhr s PHE 46 Ca 0.56 1.10 -0.29 0.00 0.12 0.00 0.00 56.93 58.42 3dhr s PHE 46 Cb 0.46 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 3dhr s PHE 46 CO 0.02 0.41 1.09 0.34 -0.10 0.00 0.00 175.22 176.97 3dhr s ASP 47 N -0.33 7.05 -0.13 1.36 -1.08 -1.26 -4.92 116.67 117.35 3dhr s ASP 47 Ca 0.28 1.41 0.17 0.00 -0.52 0.00 0.00 52.55 53.89 3dhr s ASP 47 Cb -0.17 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.08 3dhr s ASP 47 CO 0.15 -0.71 1.21 0.18 0.52 0.00 0.00 175.17 176.52 3dhr n LEU 48 N 6.44 2.73 -4.79 -1.34 4.77 -1.26 -4.22 117.00 119.33 3dhr n LEU 48 Ca 0.12 -2.99 -0.30 0.00 -0.03 0.00 0.00 56.01 52.81 3dhr n LEU 48 Cb 0.46 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 3dhr n LEU 48 CO 0.53 0.69 0.70 -0.94 -1.33 0.00 0.00 177.39 177.05 3dhr s SER 49 N -2.51 4.38 0.35 -1.43 1.04 -1.26 -4.97 113.70 109.31 3dhr s SER 49 Ca 0.33 1.37 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 3dhr s SER 49 Cb 0.28 -2.11 -0.11 0.00 0.10 0.00 0.00 66.02 64.18 3dhr s SER 49 CO 0.05 -2.05 1.54 -2.28 0.98 0.00 0.00 173.24 171.47 3dhr s HIS 50 N -3.10 2.60 -0.53 5.02 2.46 -1.26 -2.34 115.29 118.15 3dhr s HIS 50 Ca 0.61 1.02 0.00 0.00 0.47 0.00 0.00 55.06 57.16 3dhr s HIS 50 Cb -0.15 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 3dhr s HIS 50 CO 0.55 -3.28 0.00 0.41 -2.47 0.00 0.00 174.74 169.95 3dhr n GLY 51 N 0.98 0.67 3.77 1.59 0.00 -1.26 -4.98 105.19 105.97 3dhr n GLY 51 Ca 0.03 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3dhr n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dhr s SER 52 N -2.38 6.65 0.45 1.61 0.15 -0.99 -4.92 113.70 114.27 3dhr s SER 52 Ca 0.00 2.77 0.18 0.00 0.70 0.00 0.00 55.95 59.60 3dhr s SER 52 Cb 0.00 -2.65 1.05 0.00 -1.71 0.00 0.00 66.02 62.70 3dhr s SER 52 CO 0.00 -0.63 1.95 0.00 1.20 0.00 0.00 173.24 175.77 3dhr h ALA 53 N 3.26 1.43 -0.08 5.45 0.00 -1.91 -1.32 119.26 126.09 3dhr h ALA 53 Ca -0.49 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 53.97 3dhr h ALA 53 Cb 1.23 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3dhr h ALA 53 CO 0.65 0.28 -0.89 1.96 0.00 0.00 0.00 179.25 181.25 3dhr h GLN 54 N 0.00 0.72 -0.24 0.00 4.20 -1.91 0.90 115.11 118.78 3dhr h GLN 54 Ca -0.00 -0.67 -0.04 0.00 0.06 0.00 0.00 58.65 58.00 3dhr h GLN 54 Cb 0.46 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3dhr h GLN 54 CO 0.03 1.27 0.00 0.82 -0.67 0.00 0.00 178.83 180.28 3dhr h ILE 55 N 0.46 1.25 -0.44 2.54 2.04 -1.68 -0.73 117.51 120.96 3dhr h ILE 55 Ca -0.08 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3dhr h ILE 55 Cb 1.53 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3dhr h ILE 55 CO 0.18 0.28 0.28 0.50 0.00 0.00 0.00 178.15 179.38 3dhr h LYS 56 N 0.20 0.58 -0.10 2.37 3.64 -1.28 0.28 116.57 122.26 3dhr h LYS 56 Ca 0.07 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3dhr h LYS 56 Cb 0.40 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3dhr h LYS 56 CO 0.01 0.41 0.05 0.78 -2.27 0.00 0.00 179.45 178.42 3dhr h GLY 57 N 0.58 0.16 1.64 5.01 0.00 -0.78 -2.01 103.07 107.66 3dhr h GLY 57 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.24 3dhr h GLY 57 CO -0.03 0.08 -0.65 0.84 0.00 0.00 0.00 176.54 176.77 3dhr h HIS 58 N 0.03 0.48 -0.69 5.60 -0.00 -1.09 -3.03 115.15 116.45 3dhr h HIS 58 Ca 0.03 -0.20 0.04 0.00 -0.00 0.00 0.00 60.37 60.25 3dhr h HIS 58 Cb 0.14 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.42 3dhr h HIS 58 CO -0.03 0.92 0.42 0.78 -0.00 0.00 0.00 177.93 180.02 3dhr h GLY 59 N 1.32 1.00 0.98 5.26 0.00 -0.37 -0.53 103.07 110.73 3dhr h GLY 59 Ca -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3dhr h GLY 59 CO 0.11 0.24 0.56 0.50 0.00 0.00 0.00 176.54 177.95 3dhr h LYS 60 N 0.80 1.10 -0.40 4.80 1.57 -1.31 -0.78 116.57 122.35 3dhr h LYS 60 Ca 0.29 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 3dhr h LYS 60 Cb 0.08 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3dhr h LYS 60 CO -0.13 0.73 -0.06 0.87 -0.57 0.00 0.00 179.45 180.28 3dhr h LYS 61 N 1.14 0.75 -0.19 3.15 1.57 -1.29 -1.18 116.57 120.52 3dhr h LYS 61 Ca 0.32 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3dhr h LYS 61 Cb -0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3dhr h LYS 61 CO -0.08 0.87 0.11 0.28 -0.57 0.00 0.00 179.45 180.07 3dhr h VAL 62 N 0.57 1.08 -0.87 0.50 2.07 -0.94 -2.73 116.25 115.92 3dhr h VAL 62 Ca 0.11 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3dhr h VAL 62 Cb 0.57 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3dhr h VAL 62 CO 0.03 0.07 0.58 0.00 0.02 0.00 0.00 177.57 178.27 3dhr h ALA 63 N 1.03 1.10 -0.61 1.67 0.00 -1.08 -2.50 119.26 118.88 3dhr h ALA 63 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dhr h ALA 63 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3dhr h ALA 63 CO -0.01 0.51 0.35 0.93 0.00 0.00 0.00 179.25 181.03 3dhr h GLU 64 N 1.18 0.83 -0.27 0.00 5.08 -1.08 -1.31 114.58 119.02 3dhr h GLU 64 Ca 0.32 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.45 3dhr h GLU 64 Cb -0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 3dhr h GLU 64 CO -0.07 0.60 -0.44 0.00 -1.00 0.00 0.00 179.01 178.10 3dhr h ALA 65 N 1.54 0.72 -0.40 3.43 0.00 -1.15 -1.23 119.26 122.17 3dhr h ALA 65 Ca 0.22 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3dhr h ALA 65 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dhr h ALA 65 CO -0.04 0.67 -0.15 -0.07 0.00 0.00 0.00 179.25 179.65 3dhr h LEU 66 N 0.54 0.83 -0.70 0.00 3.38 -1.16 -1.22 115.31 116.99 3dhr h LEU 66 Ca 0.04 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3dhr h LEU 66 Cb 0.98 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3dhr h LEU 66 CO 0.09 1.03 0.43 0.58 0.09 0.00 0.00 178.44 180.67 3dhr h VAL 67 N 0.63 1.20 -0.61 1.22 2.07 -1.18 0.62 116.25 120.19 3dhr h VAL 67 Ca 0.09 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3dhr h VAL 67 Cb 0.70 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3dhr h VAL 67 CO 0.05 0.20 0.17 -0.08 0.02 0.00 0.00 177.57 177.93 3dhr h GLU 68 N 0.95 0.95 -0.85 1.57 4.81 -1.14 -0.60 114.58 120.28 3dhr h GLU 68 Ca 0.25 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3dhr h GLU 68 Cb -0.05 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 3dhr h GLU 68 CO -0.05 0.86 0.44 0.00 -0.73 0.00 0.00 179.01 179.53 3dhr h ALA 69 N 1.05 1.18 -0.61 2.92 0.00 -0.86 -0.60 119.26 122.34 3dhr h ALA 69 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3dhr h ALA 69 Cb 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dhr h ALA 69 CO -0.00 0.64 0.08 0.00 0.00 0.00 0.00 179.25 179.97 3dhr h ALA 70 N 1.29 0.81 0.00 0.00 0.00 -0.52 -2.07 119.26 118.77 3dhr h ALA 70 Ca 0.30 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dhr h ALA 70 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dhr h ALA 70 CO -0.04 0.59 -0.44 -0.91 0.00 0.00 0.00 179.25 178.44 3dhr h ASN 71 N 0.93 0.00 -1.46 0.00 2.35 -0.84 -3.16 115.58 113.41 3dhr h ASN 71 Ca 0.18 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.30 3dhr h ASN 71 Cb 0.46 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.45 3dhr h ASN 71 CO 0.02 0.44 -0.23 1.41 -1.65 0.00 0.00 177.43 177.42 3dhr n HIS 72 N -3.57 3.19 0.25 1.19 8.25 -0.26 -4.87 115.22 119.41 3dhr n HIS 72 Ca -0.00 -2.78 0.11 0.00 -0.26 0.00 0.00 57.72 54.78 3dhr n HIS 72 Cb 0.55 -0.47 0.68 0.00 1.12 0.00 0.00 29.99 31.87 3dhr n HIS 72 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3dhr h ILE 73 N 2.27 0.73 0.00 1.59 2.10 -1.34 -1.37 117.51 121.49 3dhr h ILE 73 Ca 0.39 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.82 3dhr h ILE 73 Cb 0.82 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 3dhr h ILE 73 CO 1.02 0.13 0.00 0.44 -1.08 0.00 0.00 178.15 178.65 3dhr h ASP 74 N 0.00 0.00 -2.01 2.19 3.32 -1.89 -3.36 116.42 114.66 3dhr h ASP 74 Ca -0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3dhr h ASP 74 Cb 0.30 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.47 3dhr h ASP 74 CO 0.02 0.00 -1.08 -0.67 -1.72 0.00 0.00 179.24 175.79 3dhr n ASP 75 N -2.92 0.00 -0.11 6.45 2.03 -0.53 -4.97 116.55 116.50 3dhr n ASP 75 Ca 0.03 -2.65 -0.12 0.00 0.52 0.00 0.00 54.79 52.57 3dhr n ASP 75 Cb 0.44 -0.57 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 3dhr n ASP 75 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dhr h ILE 76 N 2.42 1.29 -0.91 5.18 2.04 -1.68 -2.64 117.51 123.22 3dhr h ILE 76 Ca 0.10 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.73 3dhr h ILE 76 Cb 0.89 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 3dhr h ILE 76 CO 0.44 0.41 0.59 0.00 0.00 0.00 0.00 178.15 179.60 3dhr h ALA 77 N 0.77 1.45 0.00 1.87 0.00 -1.93 -0.70 119.26 120.73 3dhr h ALA 77 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3dhr h ALA 77 Cb 0.69 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dhr h ALA 77 CO 0.05 0.44 -0.16 0.78 0.00 0.00 0.00 179.25 180.37 3dhr h GLY 78 N 1.10 0.00 1.34 0.00 0.00 -1.94 -2.86 103.07 100.72 3dhr h GLY 78 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.41 3dhr h GLY 78 CO -0.12 0.00 -1.46 0.00 0.00 0.00 0.00 176.54 174.96 3dhr h ALA 79 N 1.84 0.29 -0.75 3.60 0.00 -0.91 -3.36 119.26 119.97 3dhr h ALA 79 Ca -0.00 -1.09 -0.53 0.00 0.00 0.00 0.00 54.91 53.29 3dhr h ALA 79 Cb 0.94 0.22 -0.36 0.00 0.00 0.00 0.00 17.79 18.59 3dhr h ALA 79 CO 0.02 1.16 -0.35 1.28 0.00 0.00 0.00 179.25 181.35 3dhr n LEU 80 N -3.43 5.45 0.26 0.00 4.77 -0.37 -4.83 117.00 118.86 3dhr n LEU 80 Ca -0.14 -4.54 -0.15 0.00 -0.03 0.00 0.00 56.01 51.15 3dhr n LEU 80 Cb 1.03 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3dhr n LEU 80 CO 0.50 1.87 0.59 0.28 -1.33 0.00 0.00 177.39 179.30 3dhr h SER 81 N 2.01 -0.55 -0.22 -1.43 0.02 -1.66 -3.00 113.55 108.72 3dhr h SER 81 Ca 0.40 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 3dhr h SER 81 Cb 1.36 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 3dhr h SER 81 CO 0.90 -0.26 0.07 0.11 -1.14 0.00 0.00 176.83 176.51 3dhr h LYS 82 N -0.82 0.43 -0.03 3.45 1.57 -1.89 -2.68 116.57 116.59 3dhr h LYS 82 Ca -0.07 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3dhr h LYS 82 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3dhr h LYS 82 CO 0.11 0.41 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.88 3dhr h LEU 83 N 0.43 0.08 -1.21 2.94 3.38 -1.93 -2.96 115.31 116.03 3dhr h LEU 83 Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dhr h LEU 83 Cb 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3dhr h LEU 83 CO -0.00 0.52 0.20 0.77 0.09 0.00 0.00 178.44 180.01 3dhr h SER 84 N 0.06 0.68 -0.38 -0.43 4.64 -1.32 -2.21 113.55 114.59 3dhr h SER 84 Ca 0.00 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 3dhr h SER 84 Cb 0.82 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3dhr h SER 84 CO 0.06 0.62 -0.21 -0.78 -0.87 0.00 0.00 176.83 175.65 3dhr h ASP 85 N 0.74 0.84 -0.27 4.97 1.82 -1.59 -1.94 116.42 120.99 3dhr h ASP 85 Ca 0.18 -0.41 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 3dhr h ASP 85 Cb 0.16 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 3dhr h ASP 85 CO -0.02 1.07 0.12 0.25 -1.61 0.00 0.00 179.24 179.06 3dhr h LEU 86 N 0.61 0.36 -0.00 2.28 5.85 -1.42 -1.32 115.31 121.67 3dhr h LEU 86 Ca 0.08 -0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.46 3dhr h LEU 86 Cb 0.77 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 41.72 3dhr h LEU 86 CO 0.06 0.40 -0.78 0.45 -0.34 0.00 0.00 178.44 178.23 3dhr h HIS 87 N 0.30 0.79 0.00 1.25 3.86 -1.44 0.78 115.15 120.69 3dhr h HIS 87 Ca 0.09 -0.43 -0.04 0.00 -1.16 0.00 0.00 60.37 58.83 3dhr h HIS 87 Cb 0.14 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3dhr h HIS 87 CO -0.02 1.26 -0.28 0.00 0.86 0.00 0.00 177.93 179.75 3dhr h ALA 88 N 0.35 0.04 0.13 2.45 0.00 -1.43 -1.88 119.26 118.93 3dhr h ALA 88 Ca -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3dhr h ALA 88 Cb 1.47 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3dhr h ALA 88 CO 0.15 0.19 -0.06 1.96 0.00 0.00 0.00 179.25 181.49 3dhr h GLN 89 N -1.00 -0.17 0.05 0.00 4.20 -1.42 -3.15 115.11 113.62 3dhr h GLN 89 Ca -0.06 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dhr h GLN 89 Cb 0.65 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3dhr h GLN 89 CO -0.04 0.21 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.09 3dhr h LYS 90 N -0.96 -0.06 0.00 1.46 3.64 -1.39 -3.38 116.57 115.88 3dhr h LYS 90 Ca -0.02 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3dhr h LYS 90 Cb 0.46 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3dhr h LYS 90 CO 0.03 0.55 -0.74 -0.07 -2.27 0.00 0.00 179.45 176.95 3dhr h LEU 91 N -0.92 0.00 -2.04 5.20 3.38 -0.95 -3.49 115.31 116.50 3dhr h LEU 91 Ca -0.01 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 3dhr h LEU 91 Cb 0.64 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.41 3dhr h LEU 91 CO 0.01 0.37 -0.87 0.54 0.09 0.00 0.00 178.44 178.58 3dhr n ARG 92 N -3.04 -3.72 -2.35 1.13 5.12 -0.85 -4.92 116.66 108.04 3dhr n ARG 92 Ca -0.01 0.52 -0.42 0.00 -1.93 0.00 0.00 57.85 56.01 3dhr n ARG 92 Cb 0.70 -4.80 -0.03 0.00 -1.16 0.00 0.00 32.46 27.18 3dhr n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dhr s VAL 93 N -3.75 3.95 0.06 1.55 1.01 -0.77 -4.97 120.40 117.50 3dhr s VAL 93 Ca 0.08 1.34 -0.33 0.00 0.00 0.00 0.00 61.98 63.07 3dhr s VAL 93 Cb -0.02 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 3dhr s VAL 93 CO 0.85 0.03 1.80 -0.67 0.00 0.00 0.00 175.10 177.10 3dhr n ASP 94 N 4.94 3.65 -0.22 3.32 -0.08 -1.26 -4.88 116.55 122.02 3dhr n ASP 94 Ca 0.11 1.00 0.25 0.00 -1.51 0.00 0.00 54.79 54.65 3dhr n ASP 94 Cb 0.45 -1.46 0.64 0.00 2.34 0.00 0.00 41.12 43.08 3dhr n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3dhr h PRO 95 N 8.24 0.16 0.00 -0.67 0.11 -2.00 -1.60 132.00 136.24 3dhr h PRO 95 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dhr h PRO 95 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dhr h PRO 95 CO 0.93 0.11 -0.00 -0.39 -0.21 0.00 0.00 178.00 178.44 3dhr h VAL 96 N 0.16 0.80 0.00 3.15 -1.51 -2.02 -2.74 116.25 114.10 3dhr h VAL 96 Ca 0.46 -0.01 -0.09 0.00 -1.23 0.00 0.00 66.70 65.84 3dhr h VAL 96 Cb 1.54 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 3dhr h VAL 96 CO -0.09 0.00 -0.41 0.78 -1.23 0.00 0.00 177.57 176.62 3dhr h ASN 97 N 0.00 0.00 -0.29 4.19 -0.26 -1.66 -2.79 115.58 114.76 3dhr h ASN 97 Ca -0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.62 3dhr h ASN 97 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 3dhr h ASN 97 CO 0.00 0.41 -0.23 -0.26 -1.06 0.00 0.00 177.43 176.29 3dhr h PHE 98 N 0.00 0.88 -0.63 1.19 0.04 -1.65 -1.82 116.94 114.94 3dhr h PHE 98 Ca -0.00 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 3dhr h PHE 98 Cb 0.78 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 3dhr h PHE 98 CO 0.00 0.93 0.24 0.87 -0.60 0.00 0.00 178.31 179.74 3dhr h LYS 99 N 0.67 0.93 -0.15 1.51 1.57 -1.61 -0.82 116.57 118.68 3dhr h LYS 99 Ca 0.09 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3dhr h LYS 99 Cb 0.74 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3dhr h LYS 99 CO 0.06 0.77 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.60 3dhr h LEU 100 N 0.91 0.29 -0.61 2.94 3.38 -1.26 -0.93 115.31 120.03 3dhr h LEU 100 Ca 0.21 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3dhr h LEU 100 Cb 0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dhr h LEU 100 CO -0.02 0.60 0.08 0.25 0.09 0.00 0.00 178.44 179.44 3dhr h LEU 101 N -0.02 0.99 -0.34 1.67 5.85 -1.29 -1.20 115.31 120.97 3dhr h LEU 101 Ca 0.04 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.55 3dhr h LEU 101 Cb 0.47 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3dhr h LEU 101 CO 0.02 1.02 -0.03 1.23 -0.34 0.00 0.00 178.44 180.33 3dhr h GLY 102 N 0.94 0.30 0.77 3.75 0.00 -1.12 -0.40 103.07 107.30 3dhr h GLY 102 Ca 0.18 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.63 3dhr h GLY 102 CO 0.02 -0.10 0.46 0.84 0.00 0.00 0.00 176.54 177.75 3dhr h HIS 103 N 0.05 0.84 -0.36 5.60 -0.00 -0.91 -2.36 115.15 118.01 3dhr h HIS 103 Ca 0.16 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 3dhr h HIS 103 Cb 0.24 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3dhr h HIS 103 CO -0.27 0.45 0.02 0.00 -0.00 0.00 0.00 177.93 178.12 3dhr h PHE 105 N 0.54 1.07 -0.87 0.00 3.57 -0.59 -2.03 116.94 118.62 3dhr h PHE 105 Ca 0.12 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3dhr h PHE 105 Cb 0.32 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3dhr h PHE 105 CO 0.01 0.94 0.46 -0.07 -2.23 0.00 0.00 178.31 177.42 3dhr h LEU 106 N 0.90 1.10 -0.60 0.59 3.38 -1.11 -1.96 115.31 117.62 3dhr h LEU 106 Ca 0.18 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3dhr h LEU 106 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3dhr h LEU 106 CO 0.02 0.90 0.39 0.58 0.09 0.00 0.00 178.44 180.42 3dhr h VAL 107 N 1.22 1.15 -0.57 1.22 2.07 -1.15 -0.50 116.25 119.68 3dhr h VAL 107 Ca 0.30 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3dhr h VAL 107 Cb 0.06 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3dhr h VAL 107 CO -0.05 0.15 0.26 0.58 0.02 0.00 0.00 177.57 178.53 3dhr h VAL 108 N 0.80 1.21 -0.62 2.57 2.07 -1.07 0.31 116.25 121.52 3dhr h VAL 108 Ca 0.22 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3dhr h VAL 108 Cb -0.08 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3dhr h VAL 108 CO -0.05 0.25 0.28 0.58 0.02 0.00 0.00 177.57 178.65 3dhr h VAL 109 N 0.78 1.22 -0.62 2.57 2.07 -1.17 -2.25 116.25 118.85 3dhr h VAL 109 Ca 0.20 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3dhr h VAL 109 Cb 0.14 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3dhr h VAL 109 CO -0.02 0.26 0.32 0.00 0.02 0.00 0.00 177.57 178.15 3dhr h ALA 110 N 1.12 0.80 -0.79 1.67 0.00 -0.68 0.24 119.26 121.62 3dhr h ALA 110 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dhr h ALA 110 Cb 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3dhr h ALA 110 CO -0.02 0.33 0.48 0.28 0.00 0.00 0.00 179.25 180.32 3dhr h VAL 111 N 0.84 1.22 0.06 0.00 2.07 -0.77 -3.16 116.25 116.51 3dhr h VAL 111 Ca 0.22 -0.46 -0.36 0.00 0.82 0.00 0.00 66.70 66.91 3dhr h VAL 111 Cb 0.07 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3dhr h VAL 111 CO -0.03 0.22 -2.10 1.41 0.02 0.00 0.00 177.57 177.10 3dhr n HIS 112 N -4.49 0.77 -3.30 1.57 8.25 -0.86 -4.69 115.22 112.48 3dhr n HIS 112 Ca 0.08 0.19 -0.25 0.00 -0.26 0.00 0.00 57.72 57.48 3dhr n HIS 112 Cb 0.05 -1.11 -0.08 0.00 1.12 0.00 0.00 29.99 29.97 3dhr n HIS 112 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3dhr n PHE 113 N -3.26 1.44 -0.21 4.41 3.72 0.82 -4.95 117.46 119.43 3dhr n PHE 113 Ca -0.32 -3.83 0.00 0.00 -0.05 0.00 0.00 57.45 53.25 3dhr n PHE 113 Cb 1.05 -0.44 0.24 0.00 -0.94 0.00 0.00 39.48 39.39 3dhr n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dhr h PRO 114 N 4.10 0.97 -0.13 -1.08 0.13 -1.71 -2.57 132.00 131.73 3dhr h PRO 114 Ca 0.13 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 3dhr h PRO 114 Cb 0.78 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 3dhr h PRO 114 CO 0.63 0.66 -0.30 0.77 -0.23 0.00 0.00 178.00 179.54 3dhr h SER 115 N 1.00 0.24 -0.24 1.44 0.02 -1.92 -3.04 113.55 111.06 3dhr h SER 115 Ca 0.27 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3dhr h SER 115 Cb -0.08 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3dhr h SER 115 CO -0.05 0.54 -0.04 0.25 -1.14 0.00 0.00 176.83 176.39 3dhr h LEU 116 N 0.22 0.44 -5.96 5.07 6.46 -1.85 -3.37 115.31 116.32 3dhr h LEU 116 Ca 0.03 -0.35 -0.72 0.00 -0.12 0.00 0.00 57.88 56.72 3dhr h LEU 116 Cb 0.64 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 3dhr h LEU 116 CO 0.05 0.68 2.90 -0.11 -0.62 0.00 0.00 178.44 181.34 3dhr n LEU 117 N -4.60 7.15 -4.71 2.25 7.94 -1.08 -4.78 117.00 119.17 3dhr n LEU 117 Ca -0.04 -4.35 -0.30 0.00 -1.11 0.00 0.00 56.01 50.21 3dhr n LEU 117 Cb 0.27 -1.58 0.14 0.00 0.53 0.00 0.00 43.42 42.78 3dhr n LEU 117 CO 0.38 1.37 0.67 0.42 -1.11 0.00 0.00 177.39 179.13 3dhr s THR 118 N 2.05 2.72 0.43 1.96 -4.23 -1.26 -4.74 115.64 112.56 3dhr s THR 118 Ca 0.48 0.23 0.16 0.00 -1.18 0.00 0.00 61.69 61.39 3dhr s THR 118 Cb 0.14 -2.58 0.35 0.00 1.34 0.00 0.00 72.50 71.75 3dhr s THR 118 CO -0.06 -0.31 1.92 -0.65 -0.54 0.00 0.00 174.62 174.98 3dhr h PRO 119 N -1.55 0.40 -0.31 3.99 0.11 -1.97 0.07 132.00 132.74 3dhr h PRO 119 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 3dhr h PRO 119 Cb 1.26 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dhr h PRO 119 CO 0.50 0.27 -0.48 0.93 -0.21 0.00 0.00 178.00 179.01 3dhr h GLU 120 N 0.41 0.87 -0.19 1.05 5.08 -1.96 -2.27 114.58 117.57 3dhr h GLU 120 Ca 0.37 -0.52 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 3dhr h GLU 120 Cb 0.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3dhr h GLU 120 CO -0.12 1.16 -0.46 0.28 -1.00 0.00 0.00 179.01 178.87 3dhr h VAL 121 N 0.65 1.32 -0.16 3.13 2.07 -1.74 -2.84 116.25 118.68 3dhr h VAL 121 Ca 0.03 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 65.91 3dhr h VAL 121 Cb 1.08 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 3dhr h VAL 121 CO 0.11 0.52 -0.06 -0.74 0.02 0.00 0.00 177.57 177.42 3dhr h HIS 122 N 0.38 -0.13 -0.88 1.57 -0.00 -0.92 -0.04 115.15 115.13 3dhr h HIS 122 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3dhr h HIS 122 Cb 0.96 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 28.41 3dhr h HIS 122 CO 0.03 -0.10 0.55 0.00 -0.00 0.00 0.00 177.93 178.42 3dhr h ALA 123 N 1.12 1.12 -0.12 5.26 0.00 -1.35 -0.81 119.26 124.47 3dhr h ALA 123 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dhr h ALA 123 Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3dhr h ALA 123 CO -0.18 0.56 0.04 0.77 0.00 0.00 0.00 179.25 180.44 3dhr h SER 124 N 1.20 0.18 -0.43 0.00 0.02 -1.23 -2.22 113.55 111.07 3dhr h SER 124 Ca 0.32 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3dhr h SER 124 Cb -0.08 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3dhr h SER 124 CO -0.06 0.32 0.16 -0.07 -1.14 0.00 0.00 176.83 176.04 3dhr h LEU 125 N 0.02 0.65 -0.35 5.07 3.38 -0.80 -0.96 115.31 122.32 3dhr h LEU 125 Ca 0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3dhr h LEU 125 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dhr h LEU 125 CO -0.00 0.61 0.11 -0.78 0.09 0.00 0.00 178.44 178.47 3dhr h ASP 126 N 0.70 0.51 -0.75 -0.43 3.58 -1.06 0.93 116.42 119.89 3dhr h ASP 126 Ca 0.16 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 3dhr h ASP 126 Cb 0.19 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 3dhr h ASP 126 CO -0.01 0.58 0.32 0.11 -2.88 0.00 0.00 179.24 177.36 3dhr h LYS 127 N 0.41 1.11 -0.23 0.28 1.57 -1.10 -0.52 116.57 118.09 3dhr h LYS 127 Ca 0.11 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3dhr h LYS 127 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3dhr h LYS 127 CO -0.00 0.90 0.07 0.35 -0.57 0.00 0.00 179.45 180.20 3dhr h PHE 128 N 1.08 0.37 -0.70 -1.35 3.57 -1.02 -0.56 116.94 118.34 3dhr h PHE 128 Ca 0.25 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3dhr h PHE 128 Cb 0.18 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3dhr h PHE 128 CO 0.02 0.43 0.44 0.28 -2.23 0.00 0.00 178.31 177.24 3dhr h VAL 129 N 0.21 1.19 -0.21 1.41 2.07 -0.65 -1.90 116.25 118.37 3dhr h VAL 129 Ca 0.08 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 3dhr h VAL 129 Cb 0.23 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3dhr h VAL 129 CO -0.00 0.19 -0.40 -0.07 0.02 0.00 0.00 177.57 177.31 3dhr h LEU 130 N 0.95 0.51 -0.94 2.57 3.38 -1.00 -2.21 115.31 118.57 3dhr h LEU 130 Ca 0.25 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3dhr h LEU 130 Cb -0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3dhr h LEU 130 CO -0.05 0.86 0.06 0.00 0.09 0.00 0.00 178.44 179.40 3dhr h ALA 131 N 1.17 1.13 -0.29 1.53 0.00 -0.84 -0.77 119.26 121.17 3dhr h ALA 131 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3dhr h ALA 131 Cb 0.88 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3dhr h ALA 131 CO 0.07 0.57 -0.05 0.28 0.00 0.00 0.00 179.25 180.13 3dhr h VAL 132 N 0.79 1.27 -0.56 0.00 2.07 -1.16 -2.00 116.25 116.65 3dhr h VAL 132 Ca 0.16 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3dhr h VAL 132 Cb 0.39 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3dhr h VAL 132 CO 0.01 0.34 0.31 1.23 0.02 0.00 0.00 177.57 179.48 3dhr h GLY 133 N 0.32 0.82 1.00 2.17 0.00 -1.23 -1.87 103.07 104.30 3dhr h GLY 133 Ca 0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 3dhr h GLY 133 CO 0.02 0.34 0.06 -0.84 0.00 0.00 0.00 176.54 176.12 3dhr h THR 134 N 0.78 1.26 -0.71 4.70 2.02 -1.01 -2.26 112.91 117.69 3dhr h THR 134 Ca 0.20 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 3dhr h THR 134 Cb 0.01 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3dhr h THR 134 CO -0.03 0.35 0.21 0.58 0.37 0.00 0.00 175.52 177.00 3dhr h VAL 135 N 0.76 1.26 0.00 3.16 2.07 -0.97 -2.14 116.25 120.40 3dhr h VAL 135 Ca 0.16 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3dhr h VAL 135 Cb 0.44 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3dhr h VAL 135 CO 0.01 0.35 0.00 0.18 0.02 0.00 0.00 177.57 178.14 3dhr n LEU 136 N -4.28 0.19 -0.59 2.57 4.77 -0.74 -2.85 117.00 116.08 3dhr n LEU 136 Ca 0.05 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 3dhr n LEU 136 Cb 0.23 -0.47 0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3dhr n LEU 136 CO 0.42 -0.12 0.57 0.35 -1.33 0.00 0.00 177.39 177.28 3dhr n THR 137 N -1.69 0.72 -0.20 -5.08 -2.24 -0.86 -3.95 114.28 100.97 3dhr n THR 137 Ca 0.06 -0.86 -0.08 0.00 -2.27 0.00 0.00 64.05 60.90 3dhr n THR 137 Cb 0.32 0.71 0.02 0.00 -2.10 0.00 0.00 70.33 69.28 3dhr n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhr h ALA 138 N 2.09 0.73 -2.83 6.98 0.00 -1.24 -3.39 119.26 121.60 3dhr h ALA 138 Ca 0.00 -0.14 -0.73 0.00 0.00 0.00 0.00 54.91 54.04 3dhr h ALA 138 Cb 0.66 -0.22 -0.33 0.00 0.00 0.00 0.00 17.79 17.89 3dhr h ALA 138 CO 0.00 0.31 -0.02 0.15 0.00 0.00 0.00 179.25 179.70 3dhr s LYS 139 N -5.63 3.38 -0.76 0.00 1.02 -1.26 -4.88 119.74 111.61 3dhr s LYS 139 Ca -0.13 -3.14 -0.01 0.00 0.02 0.00 0.00 55.97 52.72 3dhr s LYS 139 Cb 0.12 -4.07 0.37 0.00 -0.52 0.00 0.00 37.83 33.74 3dhr s LYS 139 CO 0.78 -1.25 1.85 0.66 -0.92 0.00 0.00 175.35 176.47 3dhr n TYR 140 N 2.62 3.07 1.80 3.18 4.01 -1.26 -4.36 117.16 126.22 3dhr n TYR 140 Ca 0.20 -2.50 0.15 0.00 -0.16 0.00 0.00 57.90 55.59 3dhr n TYR 140 Cb 0.38 -0.99 0.78 0.00 -0.31 0.00 0.00 39.34 39.20 3dhr n TYR 140 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27