#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6l n ASP 3 N 0.00 0.00 -2.44 6.15 5.75 -1.26 -5.04 116.55 119.71 3d6l n ASP 3 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 3d6l n ASP 3 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 3d6l n ASP 3 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3d6l n MET 4 N 0.00 2.53 0.00 0.11 0.00 -1.26 -5.02 117.12 113.49 3d6l n MET 4 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 57.70 54.73 3d6l n MET 4 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 33.22 31.06 3d6l n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3d6l n GLY 5 N -0.41 -1.96 3.90 3.17 0.00 -1.26 -4.42 105.19 104.22 3d6l n GLY 5 Ca 0.54 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 3d6l n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d6l s GLU 6 N 0.00 3.25 0.47 1.61 -1.05 -1.26 -5.01 118.70 116.71 3d6l s GLU 6 Ca 0.00 0.21 -0.24 0.00 -0.15 0.00 0.00 54.97 54.79 3d6l s GLU 6 Cb 0.00 -2.27 -0.07 0.00 -0.44 0.00 0.00 34.13 31.35 3d6l s GLU 6 CO 0.00 -0.52 1.41 -2.14 0.95 0.00 0.00 175.26 174.96 3d6l s PRO 7 N -4.95 3.55 0.09 -4.83 0.02 -1.26 -4.78 135.00 122.84 3d6l s PRO 7 Ca 0.52 2.36 0.10 0.00 0.02 0.00 0.00 61.00 64.00 3d6l s PRO 7 Cb -0.11 -2.55 -0.19 0.00 0.02 0.00 0.00 34.50 31.68 3d6l s PRO 7 CO 0.47 -0.91 1.10 0.87 -0.33 0.00 0.00 177.00 178.20 3d6l h LYS 8 N 2.10 0.00 -4.60 5.54 1.79 -0.79 -3.46 116.57 117.16 3d6l h LYS 8 Ca -0.51 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.67 3d6l h LYS 8 Cb 1.27 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.70 3d6l h LYS 8 CO 0.60 0.78 -0.74 -0.51 -1.08 0.00 0.00 179.45 178.50 3d6l s LEU 9 N -6.47 2.22 -0.20 2.94 1.02 -1.14 -4.93 118.68 112.12 3d6l s LEU 9 Ca -0.00 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.63 3d6l s LEU 9 Cb 0.09 -0.22 0.10 0.00 0.02 0.00 0.00 46.19 46.19 3d6l s LEU 9 CO 0.81 -0.15 0.30 -0.75 0.02 0.00 0.00 176.35 176.59 3d6l s LYS 10 N -1.35 0.25 0.08 1.70 2.20 -1.26 -0.81 119.74 120.56 3d6l s LYS 10 Ca -0.07 0.49 0.03 0.00 -0.36 0.00 0.00 55.97 56.05 3d6l s LYS 10 Cb -0.09 -0.61 -0.03 0.00 -1.51 0.00 0.00 37.83 35.59 3d6l s LYS 10 CO 0.00 -0.56 -0.09 0.42 -0.36 0.00 0.00 175.35 174.77 3d6l s ILE 11 N 2.45 0.80 -0.01 5.43 1.09 -0.31 -4.97 121.20 125.68 3d6l s ILE 11 Ca 0.08 -1.57 -0.18 0.00 -1.10 0.00 0.00 60.65 57.87 3d6l s ILE 11 Cb -0.15 -1.25 -0.06 0.00 -1.06 0.00 0.00 42.46 39.94 3d6l s ILE 11 CO -0.13 -0.58 0.51 -0.69 -0.10 0.00 0.00 174.94 173.95 3d6l s VAL 12 N -2.43 4.96 -0.32 2.92 1.01 -1.26 0.13 120.40 125.41 3d6l s VAL 12 Ca 0.03 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 3d6l s VAL 12 Cb -0.03 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3d6l s VAL 12 CO -0.01 0.48 1.09 0.00 0.00 0.00 0.00 175.10 176.66 3d6l s ALA 13 N -0.50 3.50 0.21 5.51 0.00 0.31 -4.93 121.76 125.85 3d6l s ALA 13 Ca 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 3d6l s ALA 13 Cb -0.17 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 3d6l s ALA 13 CO 0.15 -1.49 0.40 -1.64 0.00 0.00 0.00 175.76 173.18 3d6l s MET 14 N 3.67 3.51 0.62 0.00 -1.94 -1.26 -0.87 119.30 123.04 3d6l s MET 14 Ca 0.46 -0.37 0.30 0.00 -1.71 0.00 0.00 55.69 54.37 3d6l s MET 14 Cb -0.13 -2.83 1.62 0.00 2.01 0.00 0.00 34.83 35.51 3d6l s MET 14 CO 0.16 0.39 1.97 -1.35 -0.01 0.00 0.00 175.02 176.17 3d6l h PRO 15 N 1.88 0.00 0.00 2.03 0.11 -1.97 0.07 132.00 134.13 3d6l h PRO 15 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3d6l h PRO 15 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d6l h PRO 15 CO 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 3d6l n SER 16 N -3.37 0.10 -1.81 -2.05 3.41 -1.26 -3.58 113.62 105.07 3d6l n SER 16 Ca 0.02 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.14 3d6l n SER 16 Cb 0.45 -0.54 0.30 0.00 -0.26 0.00 0.00 64.21 64.16 3d6l n SER 16 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d6l n ASP 17 N -1.60 4.76 -4.94 4.04 8.00 0.01 -4.99 116.55 121.83 3d6l n ASP 17 Ca 0.06 -2.96 -0.24 0.00 0.71 0.00 0.00 54.79 52.36 3d6l n ASP 17 Cb 0.31 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3d6l n ASP 17 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3d6l s THR 18 N -2.62 4.59 0.48 -3.53 -4.23 -1.23 -0.52 115.64 108.57 3d6l s THR 18 Ca 0.48 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 3d6l s THR 18 Cb 0.38 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.53 3d6l s THR 18 CO 0.13 -0.53 0.67 0.54 -0.54 0.00 0.00 174.62 174.89 3d6l s ASN 19 N -4.13 5.53 0.63 3.99 2.20 0.69 -4.49 114.94 119.36 3d6l s ASN 19 Ca 0.45 -0.10 0.27 0.00 -0.94 0.00 0.00 52.86 52.54 3d6l s ASN 19 Cb -0.10 -0.94 1.42 0.00 -2.00 0.00 0.00 41.25 39.64 3d6l s ASN 19 CO 0.39 -0.91 1.82 -0.65 -2.94 0.00 0.00 177.10 174.81 3d6l h PRO 20 N 0.35 0.00 0.00 3.55 0.11 -2.00 -0.10 132.00 133.91 3d6l h PRO 20 Ca -0.42 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 3d6l h PRO 20 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3d6l h PRO 20 CO 0.51 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 177.89 3d6l h ALA 21 N 1.26 0.74 0.00 -0.75 0.00 -2.02 -3.48 119.26 115.01 3d6l h ALA 21 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3d6l h ALA 21 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3d6l h ALA 21 CO -0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3d6l n GLY 22 N 1.16 0.78 3.90 0.00 0.00 -0.05 -5.11 105.19 105.87 3d6l n GLY 22 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3d6l n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d6l s ASN 23 N -1.83 5.98 0.13 1.61 0.01 -1.26 -4.71 114.94 114.88 3d6l s ASN 23 Ca 0.00 0.98 -0.31 0.00 -0.71 0.00 0.00 52.86 52.82 3d6l s ASN 23 Cb 0.00 -2.10 -0.10 0.00 0.41 0.00 0.00 41.25 39.46 3d6l s ASN 23 CO 0.00 -0.85 1.62 -0.63 -1.51 0.00 0.00 177.10 175.72 3d6l s ILE 24 N -2.96 2.73 0.20 0.60 -1.09 0.67 -0.22 121.20 121.13 3d6l s ILE 24 Ca 0.52 0.42 -0.32 0.00 -2.23 0.00 0.00 60.65 59.04 3d6l s ILE 24 Cb -0.11 -3.27 -0.12 0.00 -1.58 0.00 0.00 42.46 37.38 3d6l s ILE 24 CO 0.47 0.02 1.72 0.33 -1.23 0.00 0.00 174.94 176.25 3d6l n PHE 25 N 4.59 2.71 -0.24 3.97 -0.00 0.32 -4.66 117.46 124.16 3d6l n PHE 25 Ca 0.15 0.05 0.06 0.00 -0.00 0.00 0.00 57.45 57.70 3d6l n PHE 25 Cb 0.39 -2.67 0.31 0.00 -0.00 0.00 0.00 39.48 37.51 3d6l n PHE 25 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3d6l h GLY 26 N 6.80 1.13 1.54 7.13 0.00 -1.90 -2.10 103.07 115.67 3d6l h GLY 26 Ca -0.43 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 3d6l h GLY 26 CO 0.95 0.24 0.16 -1.33 0.00 0.00 0.00 176.54 176.56 3d6l h GLY 27 N 0.85 0.64 1.00 4.60 0.00 -1.97 -0.05 103.07 108.15 3d6l h GLY 27 Ca 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3d6l h GLY 27 CO -0.13 0.29 0.24 -0.25 0.00 0.00 0.00 176.54 176.69 3d6l h TRP 28 N 0.59 0.92 -0.08 5.60 7.01 -1.73 -1.99 115.95 126.27 3d6l h TRP 28 Ca 0.14 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3d6l h TRP 28 Cb 0.14 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 3d6l h TRP 28 CO 0.01 0.73 0.03 0.82 -2.79 0.00 0.00 178.44 177.24 3d6l h ILE 29 N 0.84 1.15 -0.41 2.65 2.04 -1.10 -2.51 117.51 120.16 3d6l h ILE 29 Ca 0.20 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.71 3d6l h ILE 29 Cb 0.20 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3d6l h ILE 29 CO -0.02 0.13 0.29 -0.07 0.00 0.00 0.00 178.15 178.49 3d6l h LEU 30 N -0.03 0.04 -0.13 1.44 4.07 -1.02 -0.02 115.31 119.66 3d6l h LEU 30 Ca 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 3d6l h LEU 30 Cb 0.18 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3d6l h LEU 30 CO -0.00 0.02 0.02 0.28 -1.08 0.00 0.00 178.44 177.68 3d6l h SER 31 N 0.04 0.22 -0.92 -0.43 0.02 -0.99 -0.89 113.55 110.60 3d6l h SER 31 Ca 0.19 -0.28 0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3d6l h SER 31 Cb 0.72 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 3d6l h SER 31 CO -0.01 0.44 0.59 1.56 -1.14 0.00 0.00 176.83 178.27 3d6l h GLN 32 N -0.01 1.05 -0.09 3.45 1.08 -0.76 -1.33 115.11 118.51 3d6l h GLN 32 Ca 0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3d6l h GLN 32 Cb 0.32 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3d6l h GLN 32 CO 0.00 0.69 0.02 0.82 -0.95 0.00 0.00 178.83 179.42 3d6l h ILE 33 N 1.08 1.21 -0.51 2.54 2.04 -0.93 0.26 117.51 123.20 3d6l h ILE 33 Ca 0.39 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3d6l h ILE 33 Cb 0.14 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3d6l h ILE 33 CO -0.16 0.18 0.30 -0.78 0.00 0.00 0.00 178.15 177.69 3d6l h ASP 34 N -0.08 0.48 -0.37 1.72 3.58 -0.94 -0.45 116.42 120.36 3d6l h ASP 34 Ca 0.03 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 3d6l h ASP 34 Cb 0.27 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3d6l h ASP 34 CO 0.00 0.34 -0.16 -0.07 -2.88 0.00 0.00 179.24 176.48 3d6l h LEU 35 N 0.60 0.78 -0.59 2.28 3.38 -1.17 -2.51 115.31 118.08 3d6l h LEU 35 Ca 0.21 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3d6l h LEU 35 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3d6l h LEU 35 CO -0.10 1.00 0.04 0.00 0.09 0.00 0.00 178.44 179.47 3d6l h ALA 36 N 0.80 0.78 -0.77 1.53 0.00 -0.74 -2.49 119.26 118.38 3d6l h ALA 36 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3d6l h ALA 36 Cb 0.69 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3d6l h ALA 36 CO 0.05 0.58 0.45 0.78 0.00 0.00 0.00 179.25 181.12 3d6l h GLY 37 N 0.90 1.12 0.99 0.00 0.00 -1.11 -2.94 103.07 102.04 3d6l h GLY 37 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3d6l h GLY 37 CO 0.02 0.46 0.32 0.00 0.00 0.00 0.00 176.54 177.35 3d6l h ALA 38 N 1.24 0.76 -0.98 3.60 0.00 -1.19 0.43 119.26 123.12 3d6l h ALA 38 Ca 0.27 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3d6l h ALA 38 Cb -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.46 3d6l h ALA 38 CO -0.05 0.27 0.62 0.82 0.00 0.00 0.00 179.25 180.92 3d6l h ILE 39 N 0.80 1.03 -0.24 0.00 2.04 -1.36 0.13 117.51 119.90 3d6l h ILE 39 Ca 0.21 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 3d6l h ILE 39 Cb 0.04 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 35.96 3d6l h ILE 39 CO -0.03 0.20 -0.25 0.00 0.00 0.00 0.00 178.15 178.07 3d6l h ALA 40 N 1.47 0.36 -0.38 1.87 0.00 -1.18 -3.20 119.26 118.20 3d6l h ALA 40 Ca 0.44 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3d6l h ALA 40 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3d6l h ALA 40 CO -0.20 0.34 -0.09 0.00 0.00 0.00 0.00 179.25 179.30 3d6l h ALA 41 N 0.67 1.14 0.00 0.00 0.00 -0.48 -2.83 119.26 117.77 3d6l h ALA 41 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3d6l h ALA 41 Cb 0.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3d6l h ALA 41 CO 0.06 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3d6l h ARG 42 N 0.60 0.00 -0.13 0.00 3.08 -0.76 -0.82 114.38 116.36 3d6l h ARG 42 Ca 0.11 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.20 3d6l h ARG 42 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3d6l h ARG 42 CO 0.03 0.00 0.19 0.93 -1.07 0.00 0.00 179.97 180.05 3d6l h GLU 43 N 0.00 0.00 -0.01 0.04 5.08 -1.50 0.02 114.58 118.21 3d6l h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3d6l h GLU 43 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3d6l h GLU 43 CO 0.00 0.00 -0.47 1.28 -1.00 0.00 0.00 179.01 178.82 3d6l n LEU 44 N -3.55 1.60 -2.80 1.33 4.77 -0.33 -4.78 117.00 113.25 3d6l n LEU 44 Ca 0.00 -0.71 -0.07 0.00 -0.03 0.00 0.00 56.01 55.20 3d6l n LEU 44 Cb 0.29 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3d6l n LEU 44 CO 0.24 0.31 0.12 -0.24 -1.33 0.00 0.00 177.39 176.49 3d6l n SER 45 N -0.33 -3.02 -0.27 -1.43 2.88 -0.20 -4.60 113.62 106.65 3d6l n SER 45 Ca 0.07 -3.03 0.06 0.00 -1.33 0.00 0.00 58.87 54.64 3d6l n SER 45 Cb 0.37 1.61 0.20 0.00 -0.75 0.00 0.00 64.21 65.63 3d6l n SER 45 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3d6l h PRO 46 N 4.65 0.52 0.31 -1.46 0.11 -1.38 -3.21 132.00 131.55 3d6l h PRO 46 Ca -0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3d6l h PRO 46 Cb 1.07 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3d6l h PRO 46 CO 0.15 0.35 -0.15 0.93 -0.21 0.00 0.00 178.00 179.07 3d6l h GLU 47 N 0.54 -0.40 -1.81 1.05 3.07 -1.87 -3.48 114.58 111.68 3d6l h GLU 47 Ca 0.43 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.32 3d6l h GLU 47 Cb 0.61 0.09 -0.22 0.00 -0.84 0.00 0.00 28.75 28.39 3d6l h GLU 47 CO -0.37 -0.11 0.31 0.50 -1.40 0.00 0.00 179.01 177.93 3d6l s ARG 48 N -5.00 0.74 0.08 2.33 3.52 -1.21 -4.88 118.95 114.53 3d6l s ARG 48 Ca -0.15 0.59 0.06 0.00 -0.13 0.00 0.00 55.73 56.11 3d6l s ARG 48 Cb 0.03 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.75 3d6l s ARG 48 CO 0.57 -0.15 -0.16 0.14 -0.81 0.00 0.00 175.30 174.90 3d6l s VAL 49 N -0.22 1.27 -0.05 7.11 -7.23 -1.26 -2.44 120.40 117.59 3d6l s VAL 49 Ca -0.02 -1.34 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3d6l s VAL 49 Cb -0.03 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 3d6l s VAL 49 CO 0.01 -0.16 -0.16 0.68 -0.31 0.00 0.00 175.10 175.16 3d6l s VAL 50 N -1.20 2.87 -0.13 1.32 -7.23 -0.77 -4.94 120.40 110.32 3d6l s VAL 50 Ca 0.01 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.09 3d6l s VAL 50 Cb -0.10 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 3d6l s VAL 50 CO 0.03 0.59 1.19 -0.89 -0.31 0.00 0.00 175.10 175.71 3d6l s THR 51 N -0.67 4.36 -0.14 5.32 2.01 -1.26 -0.84 115.64 124.41 3d6l s THR 51 Ca 0.10 1.65 0.13 0.00 0.31 0.00 0.00 61.69 63.89 3d6l s THR 51 Cb -0.11 -4.07 -0.19 0.00 0.01 0.00 0.00 72.50 68.15 3d6l s THR 51 CO 0.00 -0.08 0.06 2.30 -0.69 0.00 0.00 174.62 176.22 3d6l n ILE 52 N 5.01 0.98 -3.67 1.82 -5.35 0.28 -4.95 119.36 113.49 3d6l n ILE 52 Ca 0.12 -0.62 -0.10 0.00 -0.27 0.00 0.00 62.75 61.88 3d6l n ILE 52 Cb 0.46 -0.57 -0.02 0.00 -1.74 0.00 0.00 39.64 37.76 3d6l n ILE 52 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3d6l s SER 53 N -4.80 -0.37 -0.02 7.28 1.04 -1.05 -5.00 113.70 110.78 3d6l s SER 53 Ca -0.07 -0.35 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 3d6l s SER 53 Cb 0.05 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.84 3d6l s SER 53 CO 0.62 -1.13 0.03 -0.04 0.98 0.00 0.00 173.24 173.70 3d6l s MET 54 N -3.85 -0.04 0.25 4.02 -1.94 -1.26 -0.52 119.30 115.96 3d6l s MET 54 Ca 0.07 0.22 0.05 0.00 -1.71 0.00 0.00 55.69 54.32 3d6l s MET 54 Cb -0.03 -0.30 -0.05 0.00 2.01 0.00 0.00 34.83 36.46 3d6l s MET 54 CO -0.03 -0.19 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.23 3d6l s ASP 55 N 1.25 2.30 -1.61 3.03 1.11 0.11 -4.90 116.67 117.95 3d6l s ASP 55 Ca -0.07 -1.18 -0.14 0.00 0.18 0.00 0.00 52.55 51.34 3d6l s ASP 55 Cb -0.13 -0.08 0.11 0.00 1.07 0.00 0.00 42.92 43.89 3d6l s ASP 55 CO -0.03 -0.41 0.74 0.29 1.18 0.00 0.00 175.17 176.94 3d6l n LYS 56 N -0.48 -3.57 -3.05 8.23 4.76 -1.26 -1.05 118.16 121.74 3d6l n LYS 56 Ca -0.06 0.41 -0.40 0.00 -2.87 0.00 0.00 58.31 55.40 3d6l n LYS 56 Cb 0.63 -5.04 -0.05 0.00 -1.84 0.00 0.00 35.03 28.74 3d6l n LYS 56 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d6l s VAL 57 N -3.44 4.95 -0.09 -0.18 0.11 -1.25 -3.95 120.40 116.54 3d6l s VAL 57 Ca 0.57 1.47 -0.00 0.00 -2.93 0.00 0.00 61.98 61.09 3d6l s VAL 57 Cb -0.30 -4.05 0.02 0.00 -1.53 0.00 0.00 36.38 30.52 3d6l s VAL 57 CO 0.90 0.30 -0.06 -0.69 -3.33 0.00 0.00 175.10 172.23 3d6l s VAL 58 N 0.45 0.83 -1.04 2.04 1.01 0.25 -4.97 120.40 118.97 3d6l s VAL 58 Ca 0.37 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 3d6l s VAL 58 Cb -0.19 -0.87 0.14 0.00 0.00 0.00 0.00 36.38 35.47 3d6l s VAL 58 CO 0.19 0.32 1.25 -0.36 0.00 0.00 0.00 175.10 176.51 3d6l s PHE 59 N 1.55 3.26 0.24 5.22 0.08 -1.26 -1.64 117.98 125.42 3d6l s PHE 59 Ca 0.01 -1.68 -0.01 0.00 0.12 0.00 0.00 56.93 55.38 3d6l s PHE 59 Cb -0.13 -4.30 0.26 0.00 -0.57 0.00 0.00 43.02 38.27 3d6l s PHE 59 CO -0.05 -1.46 1.62 0.87 -0.10 0.00 0.00 175.22 176.10 3d6l h LYS 60 N 8.18 0.55 -2.79 0.44 1.57 -1.74 -3.46 116.57 119.32 3d6l h LYS 60 Ca 0.22 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3d6l h LYS 60 Cb 0.96 -0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.06 3d6l h LYS 60 CO 1.17 0.83 -0.19 -2.00 -0.57 0.00 0.00 179.45 178.69 3d6l s GLU 61 N -4.31 0.68 0.59 3.15 2.56 -0.71 -5.03 118.70 115.63 3d6l s GLU 61 Ca -0.07 0.09 -0.20 0.00 0.00 0.00 0.00 54.97 54.79 3d6l s GLU 61 Cb 0.13 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.54 3d6l s GLU 61 CO 0.82 -0.17 1.29 -2.14 -0.56 0.00 0.00 175.26 174.50 3d6l s PRO 62 N -0.89 2.91 -0.09 4.30 0.02 -1.26 -4.73 135.00 135.25 3d6l s PRO 62 Ca -0.10 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 3d6l s PRO 62 Cb -0.04 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3d6l s PRO 62 CO 0.04 -1.32 -0.04 0.08 -0.33 0.00 0.00 177.00 175.43 3d6l s VAL 63 N -1.41 3.91 0.25 3.83 1.01 -1.26 -5.03 120.40 121.69 3d6l s VAL 63 Ca 0.77 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.45 3d6l s VAL 63 Cb -0.37 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3d6l s VAL 63 CO 0.41 0.58 0.02 -0.36 0.00 0.00 0.00 175.10 175.74 3d6l s PHE 64 N -0.56 2.77 0.17 5.22 2.99 -1.26 -0.24 117.98 127.07 3d6l s PHE 64 Ca 0.09 -0.20 -0.33 0.00 0.00 0.00 0.00 56.93 56.49 3d6l s PHE 64 Cb -0.12 -1.25 -0.15 0.00 0.00 0.00 0.00 43.02 41.50 3d6l s PHE 64 CO 0.02 0.59 1.34 -0.89 -0.00 0.00 0.00 175.22 176.28 3d6l n ILE 65 N -0.78 0.57 0.00 0.64 5.41 -1.26 -2.34 119.36 121.59 3d6l n ILE 65 Ca -0.07 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.54 3d6l n ILE 65 Cb 0.58 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 3d6l n ILE 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d6l n GLY 66 N 2.40 3.28 3.64 7.39 0.00 -0.05 -5.02 105.19 116.83 3d6l n GLY 66 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 3d6l n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d6l n ASP 67 N 0.03 2.12 -4.55 1.61 10.43 -0.99 -4.65 116.55 120.55 3d6l n ASP 67 Ca 0.00 1.17 -0.42 0.00 2.57 0.00 0.00 54.79 58.11 3d6l n ASP 67 Cb 0.00 -1.38 -0.07 0.00 1.84 0.00 0.00 41.12 41.52 3d6l n ASP 67 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3d6l s ILE 68 N -0.71 4.88 -0.21 0.53 -1.09 -0.80 -0.53 121.20 123.26 3d6l s ILE 68 Ca 0.62 0.40 -0.14 0.00 -2.23 0.00 0.00 60.65 59.30 3d6l s ILE 68 Cb -0.66 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 3d6l s ILE 68 CO 0.57 -0.40 0.32 -0.63 -1.23 0.00 0.00 174.94 173.58 3d6l s ILE 69 N 2.71 5.25 -0.12 2.92 1.09 0.12 -0.93 121.20 132.24 3d6l s ILE 69 Ca 0.23 0.54 -0.00 0.00 -1.10 0.00 0.00 60.65 60.32 3d6l s ILE 69 Cb -0.14 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.58 3d6l s ILE 69 CO 0.16 0.28 -0.12 -0.44 -0.10 0.00 0.00 174.94 174.72 3d6l s SER 70 N 1.03 4.08 -0.26 3.58 0.01 -0.40 -1.16 113.70 120.58 3d6l s SER 70 Ca 0.15 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 3d6l s SER 70 Cb -0.14 -1.54 0.02 0.00 0.21 0.00 0.00 66.02 64.56 3d6l s SER 70 CO 0.07 0.19 -0.01 0.00 0.41 0.00 0.00 173.24 173.89 3d6l s TYR 72 N 1.40 3.44 -0.00 0.00 1.51 0.31 -0.02 117.35 123.98 3d6l s TYR 72 Ca 0.01 0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 3d6l s TYR 72 Cb -0.17 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3d6l s TYR 72 CO -0.02 0.57 -0.06 -1.12 -1.11 0.00 0.00 175.55 173.81 3d6l s SER 73 N -2.53 0.68 -0.11 2.29 0.01 -1.26 -0.84 113.70 111.95 3d6l s SER 73 Ca 0.34 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.45 3d6l s SER 73 Cb -0.13 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.07 3d6l s SER 73 CO 0.27 0.05 -0.04 -0.75 0.41 0.00 0.00 173.24 173.18 3d6l s LYS 74 N -0.25 1.12 -0.08 12.44 2.20 0.07 -4.83 119.74 130.41 3d6l s LYS 74 Ca 0.01 -0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 3d6l s LYS 74 Cb -0.03 -1.41 -0.06 0.00 -1.51 0.00 0.00 37.83 34.82 3d6l s LYS 74 CO -0.00 -0.32 1.76 0.08 -0.36 0.00 0.00 175.35 176.51 3d6l s VAL 75 N 1.81 3.44 -0.22 4.02 1.01 -1.26 -0.58 120.40 128.62 3d6l s VAL 75 Ca 0.04 0.52 0.11 0.00 0.00 0.00 0.00 61.98 62.65 3d6l s VAL 75 Cb -0.13 -3.37 -0.22 0.00 0.00 0.00 0.00 36.38 32.66 3d6l s VAL 75 CO -0.07 -0.09 -0.03 0.52 0.00 0.00 0.00 175.10 175.43 3d6l n VAL 76 N 5.84 1.44 -3.72 2.92 0.31 0.82 -4.94 118.33 120.99 3d6l n VAL 76 Ca 0.19 -0.74 -0.14 0.00 -0.01 0.00 0.00 64.34 63.64 3d6l n VAL 76 Cb 0.43 -0.86 -0.09 0.00 -0.91 0.00 0.00 33.84 32.41 3d6l n VAL 76 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3d6l s ASN 77 N -5.92 -0.39 -0.06 4.52 2.47 -1.16 -4.99 114.94 109.41 3d6l s ASN 77 Ca -0.20 0.61 0.01 0.00 0.42 0.00 0.00 52.86 53.70 3d6l s ASN 77 Cb 0.07 0.67 0.02 0.00 -1.45 0.00 0.00 41.25 40.56 3d6l s ASN 77 CO 0.74 -0.29 -0.07 -0.69 -3.72 0.00 0.00 177.10 173.07 3d6l s VAL 78 N -0.40 0.77 0.00 -5.21 1.01 -1.26 -0.52 120.40 114.79 3d6l s VAL 78 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3d6l s VAL 78 Cb -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3d6l s VAL 78 CO 0.03 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3d6l n GLY 79 N 4.08 2.60 0.14 4.51 0.00 -0.29 -5.00 105.19 111.23 3d6l n GLY 79 Ca -0.22 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 3d6l n GLY 79 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3d6l h ASN 80 N 0.00 0.59 0.00 1.61 -1.24 -1.99 -3.41 115.58 111.15 3d6l h ASN 80 Ca 0.00 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.15 3d6l h ASN 80 Cb 0.00 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.86 3d6l h ASN 80 CO 0.00 1.40 -0.25 0.35 -1.29 0.00 0.00 177.43 177.64 3d6l n THR 81 N -4.07 0.00 -3.74 -3.57 -2.24 -1.26 -1.27 114.28 98.14 3d6l n THR 81 Ca -0.13 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3d6l n THR 81 Cb 0.82 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 3d6l n THR 81 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d6l s SER 82 N -0.92 6.40 -0.07 3.42 1.04 -1.26 0.11 113.70 122.42 3d6l s SER 82 Ca 0.00 0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.82 3d6l s SER 82 Cb 0.00 -2.01 0.03 0.00 0.10 0.00 0.00 66.02 64.14 3d6l s SER 82 CO 0.00 0.01 0.05 -0.63 0.98 0.00 0.00 173.24 173.65 3d6l s ILE 83 N -1.77 0.06 -0.12 -1.02 1.01 0.10 -1.14 121.20 118.32 3d6l s ILE 83 Ca 0.38 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 61.16 3d6l s ILE 83 Cb -0.11 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 3d6l s ILE 83 CO 0.28 0.13 0.21 -0.44 0.00 0.00 0.00 174.94 175.12 3d6l s SER 84 N 2.10 6.43 -0.06 3.58 0.01 0.32 -0.85 113.70 125.24 3d6l s SER 84 Ca 0.04 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.82 3d6l s SER 84 Cb -0.13 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 64.00 3d6l s SER 84 CO -0.05 0.30 -0.04 -0.69 0.41 0.00 0.00 173.24 173.18 3d6l s VAL 85 N -0.50 0.54 -0.13 3.43 1.01 0.44 -0.13 120.40 125.06 3d6l s VAL 85 Ca 0.15 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 3d6l s VAL 85 Cb -0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3d6l s VAL 85 CO 0.04 0.25 0.71 -0.70 0.00 0.00 0.00 175.10 175.40 3d6l s GLU 86 N 1.26 4.33 -0.14 2.72 2.56 0.25 -0.61 118.70 129.08 3d6l s GLU 86 Ca -0.05 0.83 0.00 0.00 0.00 0.00 0.00 54.97 55.75 3d6l s GLU 86 Cb -0.14 -3.52 -0.01 0.00 2.00 0.00 0.00 34.13 32.46 3d6l s GLU 86 CO -0.02 -0.13 -0.14 0.08 -0.56 0.00 0.00 175.26 174.49 3d6l s VAL 87 N 1.49 2.89 -0.10 3.70 1.01 0.11 -0.75 120.40 128.75 3d6l s VAL 87 Ca 0.35 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3d6l s VAL 87 Cb -0.17 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 3d6l s VAL 87 CO 0.14 0.52 -0.22 -1.61 0.00 0.00 0.00 175.10 173.93 3d6l s GLU 88 N 0.52 3.08 -0.14 2.72 0.41 -0.02 -1.02 118.70 124.25 3d6l s GLU 88 Ca -0.09 -0.85 -0.02 0.00 -0.41 0.00 0.00 54.97 53.59 3d6l s GLU 88 Cb -0.16 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.82 3d6l s GLU 88 CO 0.04 0.20 -0.06 0.08 -0.49 0.00 0.00 175.26 175.03 3d6l s VAL 89 N 0.31 3.71 -0.03 2.63 1.01 0.28 -0.53 120.40 127.79 3d6l s VAL 89 Ca -0.17 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3d6l s VAL 89 Cb -0.17 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3d6l s VAL 89 CO 0.08 0.51 -0.22 0.42 0.00 0.00 0.00 175.10 175.90 3d6l s THR 90 N 0.20 2.42 -0.18 3.92 -4.23 -0.23 -0.15 115.64 117.39 3d6l s THR 90 Ca -0.03 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.43 3d6l s THR 90 Cb -0.14 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 3d6l s THR 90 CO 0.03 0.57 0.02 0.00 -0.54 0.00 0.00 174.62 174.70 3d6l s ALA 91 N -0.67 3.17 -0.22 3.99 0.00 0.92 -1.28 121.76 127.68 3d6l s ALA 91 Ca 0.11 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 3d6l s ALA 91 Cb -0.10 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 3d6l s ALA 91 CO -0.00 0.06 0.13 -1.14 0.00 0.00 0.00 175.76 174.81 3d6l s GLN 92 N 0.61 4.08 -0.03 0.00 0.74 -0.11 -0.68 119.66 124.27 3d6l s GLN 92 Ca 0.01 -0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.10 3d6l s GLN 92 Cb -0.14 -3.45 0.01 0.00 1.10 0.00 0.00 33.01 30.53 3d6l s GLN 92 CO 0.02 0.15 0.11 0.50 -0.55 0.00 0.00 175.29 175.52 3d6l s ARG 93 N 0.78 0.23 -0.14 1.67 3.52 -0.06 -1.91 118.95 123.04 3d6l s ARG 93 Ca 0.07 -0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.65 3d6l s ARG 93 Cb -0.13 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 3d6l s ARG 93 CO 0.02 -0.04 -0.18 0.08 -0.81 0.00 0.00 175.30 174.37 3d6l s VAL 94 N -0.39 2.44 0.25 7.11 1.01 -1.26 -0.15 120.40 129.40 3d6l s VAL 94 Ca -0.05 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 3d6l s VAL 94 Cb -0.03 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.40 3d6l s VAL 94 CO 0.00 0.53 0.34 -0.90 0.00 0.00 0.00 175.10 175.07 3d6l n ASP 95 N 3.91 0.07 -0.03 3.32 3.85 -0.51 -4.92 116.55 122.25 3d6l n ASP 95 Ca -0.19 -1.15 -0.11 0.00 -0.71 0.00 0.00 54.79 52.63 3d6l n ASP 95 Cb 0.52 -0.25 -0.06 0.00 -1.35 0.00 0.00 41.12 39.98 3d6l n ASP 95 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3d6l h SER 96 N -0.41 0.19 0.38 -1.12 4.64 -2.01 -2.77 113.55 112.46 3d6l h SER 96 Ca -0.11 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3d6l h SER 96 Cb 0.31 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3d6l h SER 96 CO 0.08 0.32 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 3d6l n GLN 97 N -4.88 0.17 0.00 4.77 1.13 -1.26 -4.85 117.38 112.47 3d6l n GLN 97 Ca -0.05 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 3d6l n GLN 97 Cb 0.13 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.57 3d6l n GLN 97 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d6l n GLY 98 N -0.62 1.20 3.72 1.08 0.00 -1.04 -5.10 105.19 104.43 3d6l n GLY 98 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3d6l n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d6l s THR 100 N 0.73 4.99 0.02 0.00 2.01 -1.26 -1.42 115.64 120.72 3d6l s THR 100 Ca 0.33 1.47 0.08 0.00 0.31 0.00 0.00 61.69 63.89 3d6l s THR 100 Cb -0.17 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 3d6l s THR 100 CO 0.15 0.17 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.56 3d6l s SER 101 N 0.96 2.93 -0.22 3.53 0.01 0.79 -4.97 113.70 116.73 3d6l s SER 101 Ca 0.37 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.11 3d6l s SER 101 Cb -0.17 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.81 3d6l s SER 101 CO 0.16 0.26 -0.14 0.00 0.41 0.00 0.00 173.24 173.93 3d6l s ILE 103 N 1.24 2.87 -0.24 0.00 1.01 0.14 -4.93 121.20 121.29 3d6l s ILE 103 Ca -0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 3d6l s ILE 103 Cb -0.16 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3d6l s ILE 103 CO -0.08 0.49 1.68 0.21 0.00 0.00 0.00 174.94 177.24 3d6l s ASN 104 N 0.96 6.24 -0.09 3.58 2.47 -1.26 -0.06 114.94 126.78 3d6l s ASN 104 Ca -0.02 1.56 0.04 0.00 0.42 0.00 0.00 52.86 54.86 3d6l s ASN 104 Cb -0.15 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 37.03 3d6l s ASN 104 CO -0.01 -1.38 -0.03 0.55 -3.72 0.00 0.00 177.10 172.51 3d6l n VAL 105 N 6.68 0.59 -3.69 -5.21 3.14 0.79 -4.56 118.33 116.07 3d6l n VAL 105 Ca 0.20 -0.30 -0.10 0.00 -2.96 0.00 0.00 64.34 61.18 3d6l n VAL 105 Cb 0.46 -0.83 -0.04 0.00 -1.06 0.00 0.00 33.84 32.37 3d6l n VAL 105 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3d6l s THR 106 N -2.21 0.04 -0.03 1.55 -1.32 -1.13 -1.73 115.64 110.81 3d6l s THR 106 Ca -0.09 -0.68 -0.08 0.00 -1.21 0.00 0.00 61.69 59.63 3d6l s THR 106 Cb 0.03 -1.40 0.01 0.00 -1.51 0.00 0.00 72.50 69.63 3d6l s THR 106 CO 0.30 -0.19 0.18 -0.55 -2.21 0.00 0.00 174.62 172.15 3d6l s SER 107 N -2.84 -0.09 -0.00 8.08 0.15 -0.65 -0.55 113.70 117.79 3d6l s SER 107 Ca 0.07 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.49 3d6l s SER 107 Cb 0.00 0.29 0.08 0.00 -1.71 0.00 0.00 66.02 64.68 3d6l s SER 107 CO -0.07 -0.26 0.69 0.00 1.20 0.00 0.00 173.24 174.81 3d6l s ALA 108 N -0.78 -1.74 -0.29 5.45 0.00 -0.19 -0.59 121.76 123.63 3d6l s ALA 108 Ca -0.09 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.98 3d6l s ALA 108 Cb -0.05 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.32 3d6l s ALA 108 CO 0.01 -0.48 -0.03 -1.17 0.00 0.00 0.00 175.76 174.09 3d6l s LEU 109 N -1.64 3.80 -0.02 0.00 0.20 -0.21 0.05 118.68 120.85 3d6l s LEU 109 Ca -0.07 -1.33 0.03 0.00 0.69 0.00 0.00 54.13 53.46 3d6l s LEU 109 Cb -0.00 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.06 3d6l s LEU 109 CO 0.03 -0.25 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.05 3d6l s VAL 110 N 1.20 3.43 -0.05 1.68 1.01 0.22 0.10 120.40 127.99 3d6l s VAL 110 Ca -0.06 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.23 3d6l s VAL 110 Cb -0.20 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3d6l s VAL 110 CO -0.02 0.47 -0.24 -0.89 0.00 0.00 0.00 175.10 174.42 3d6l s THR 111 N -0.89 2.18 0.18 3.92 2.01 0.32 -0.42 115.64 122.93 3d6l s THR 111 Ca 0.15 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.21 3d6l s THR 111 Cb -0.11 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3d6l s THR 111 CO 0.04 0.57 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.03 3d6l s TYR 112 N -0.26 2.00 -0.09 4.92 1.51 -0.03 -0.56 117.35 124.86 3d6l s TYR 112 Ca -0.01 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 3d6l s TYR 112 Cb -0.13 -0.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 3d6l s TYR 112 CO 0.03 0.40 -0.07 0.54 -1.11 0.00 0.00 175.55 175.34 3d6l s VAL 113 N -1.92 3.70 -0.17 0.71 0.11 -0.02 0.02 120.40 122.83 3d6l s VAL 113 Ca 0.18 -0.47 -0.27 0.00 -2.93 0.00 0.00 61.98 58.49 3d6l s VAL 113 Cb -0.07 -2.53 -0.01 0.00 -1.53 0.00 0.00 36.38 32.24 3d6l s VAL 113 CO 0.08 0.58 0.93 -0.94 -3.33 0.00 0.00 175.10 172.42 3d6l s SER 114 N -0.55 7.06 0.14 3.54 1.04 0.12 -1.84 113.70 123.20 3d6l s SER 114 Ca 0.08 1.31 0.03 0.00 0.48 0.00 0.00 55.95 57.86 3d6l s SER 114 Cb -0.12 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 3d6l s SER 114 CO 0.02 -0.48 -0.08 0.68 0.98 0.00 0.00 173.24 174.36 3d6l s VAL 115 N 2.40 0.99 0.68 5.02 -7.23 -1.02 -0.24 120.40 121.00 3d6l s VAL 115 Ca 0.42 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 3d6l s VAL 115 Cb -0.17 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.94 3d6l s VAL 115 CO 0.12 -0.74 1.13 0.42 -0.31 0.00 0.00 175.10 175.72 3d6l s THR 116 N -3.44 3.02 -0.05 5.32 -4.23 0.04 -3.91 115.64 112.38 3d6l s THR 116 Ca 0.16 0.47 0.12 0.00 -1.18 0.00 0.00 61.69 61.26 3d6l s THR 116 Cb 0.04 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 71.00 3d6l s THR 116 CO -0.00 -0.30 1.24 -2.11 -0.54 0.00 0.00 174.62 172.91 3d6l n ARG 117 N -2.54 0.08 -0.21 3.99 0.00 -1.26 0.52 116.66 117.23 3d6l n ARG 117 Ca 0.11 0.54 0.09 0.00 -0.00 0.00 0.00 57.85 58.59 3d6l n ARG 117 Cb 0.52 -2.05 0.20 0.00 -0.00 0.00 0.00 32.46 31.13 3d6l n ARG 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3d6l n ASP 118 N -1.97 3.23 0.00 2.89 3.85 -1.26 -5.00 116.55 118.30 3d6l n ASP 118 Ca -0.01 -1.94 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 3d6l n ASP 118 Cb 0.31 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 3d6l n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d6l n GLY 119 N 1.08 0.76 3.89 6.12 0.00 0.18 -5.08 105.19 112.14 3d6l n GLY 119 Ca 0.16 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3d6l n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d6l s LYS 120 N -0.76 3.58 0.13 1.61 1.02 -1.26 -4.83 119.74 119.24 3d6l s LYS 120 Ca 0.00 -0.09 -0.35 0.00 0.02 0.00 0.00 55.97 55.55 3d6l s LYS 120 Cb 0.00 -3.05 -0.15 0.00 -0.52 0.00 0.00 37.83 34.11 3d6l s LYS 120 CO 0.00 0.63 1.51 1.63 -0.92 0.00 0.00 175.35 178.19 3d6l n LYS 121 N 0.96 1.83 -3.98 1.68 5.02 -1.26 -0.78 118.16 121.62 3d6l n LYS 121 Ca -0.10 0.66 -0.34 0.00 -2.02 0.00 0.00 58.31 56.52 3d6l n LYS 121 Cb 0.53 -2.39 -0.14 0.00 -0.02 0.00 0.00 35.03 33.00 3d6l n LYS 121 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3d6l s ASN 122 N 0.83 4.53 0.24 4.39 3.84 0.66 -4.74 114.94 124.70 3d6l s ASN 122 Ca 0.81 -1.20 -0.31 0.00 0.21 0.00 0.00 52.86 52.37 3d6l s ASN 122 Cb -0.77 -1.64 -0.11 0.00 -0.55 0.00 0.00 41.25 38.19 3d6l s ASN 122 CO 0.41 -0.20 1.60 -2.84 -2.79 0.00 0.00 177.10 173.28 3d6l s PRO 123 N 1.22 4.16 0.17 0.43 0.02 -1.26 -4.55 135.00 135.19 3d6l s PRO 123 Ca -0.05 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.17 3d6l s PRO 123 Cb -0.19 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.18 3d6l s PRO 123 CO -0.04 -0.63 1.29 0.42 -0.33 0.00 0.00 177.00 177.72 3d6l s ILE 124 N 0.51 3.35 0.22 2.83 1.01 -0.40 -4.97 121.20 123.75 3d6l s ILE 124 Ca 0.67 1.08 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 3d6l s ILE 124 Cb -0.47 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 3d6l s ILE 124 CO 0.40 0.15 1.40 -0.94 0.00 0.00 0.00 174.94 175.95 3d6l s SER 125 N 0.47 6.74 0.58 3.58 1.04 -1.26 -4.91 113.70 119.94 3d6l s SER 125 Ca 0.57 2.55 0.28 0.00 0.48 0.00 0.00 55.95 59.83 3d6l s SER 125 Cb -0.35 -2.61 1.74 0.00 0.10 0.00 0.00 66.02 64.89 3d6l s SER 125 CO 0.36 -0.65 2.24 1.05 0.98 0.00 0.00 173.24 177.23 3d6l h GLU 126 N 5.37 0.00 -0.24 4.02 4.11 -1.99 -2.55 114.58 123.29 3d6l h GLU 126 Ca -0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 3d6l h GLU 126 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3d6l h GLU 126 CO 0.79 0.00 0.04 1.49 0.07 0.00 0.00 179.01 181.40 3d6l h GLU 127 N 0.00 0.39 -0.20 1.06 4.81 -1.99 0.01 114.58 118.66 3d6l h GLU 127 Ca 0.00 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 3d6l h GLU 127 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3d6l h GLU 127 CO -0.00 0.52 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.39 3d6l h LEU 128 N 0.20 0.44 -0.53 1.64 3.38 -1.85 -1.39 115.31 117.20 3d6l h LEU 128 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3d6l h LEU 128 Cb 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3d6l h LEU 128 CO 0.00 0.76 0.26 0.11 0.09 0.00 0.00 178.44 179.66 3d6l h LYS 129 N 0.36 0.75 -0.47 1.13 1.57 -1.40 -2.78 116.57 115.73 3d6l h LYS 129 Ca 0.04 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3d6l h LYS 129 Cb 0.78 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3d6l h LYS 129 CO 0.06 0.61 0.25 0.00 -0.57 0.00 0.00 179.45 179.80 3d6l h ARG 130 N 0.70 0.66 0.00 3.15 3.08 -0.46 0.49 114.38 122.01 3d6l h ARG 130 Ca 0.18 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3d6l h ARG 130 Cb 0.10 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3d6l h ARG 130 CO -0.02 0.53 0.00 0.44 -1.07 0.00 0.00 179.97 179.85 3d6l n ILE 131 N -4.66 0.16 -0.20 2.04 -5.35 -0.57 -2.71 119.36 108.06 3d6l n ILE 131 Ca 0.01 0.04 0.04 0.00 -0.27 0.00 0.00 62.75 62.58 3d6l n ILE 131 Cb 0.09 -0.64 0.11 0.00 -1.74 0.00 0.00 39.64 37.46 3d6l n ILE 131 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3d6l n HIS 132 N -1.21 0.32 -0.81 4.28 8.25 -1.01 -4.99 115.22 120.05 3d6l n HIS 132 Ca 0.14 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 3d6l n HIS 132 Cb 0.17 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3d6l n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d6l n GLY 133 N 0.03 0.55 0.00 -1.41 0.00 -1.03 -5.05 105.19 98.29 3d6l n GLY 133 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3d6l n GLY 133 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01