#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc n GLU 16 N 0.00 1.98 -4.28 1.43 0.28 -1.26 -5.08 120.64 113.70 3fwc n GLU 16 Ca 0.00 -3.94 -0.35 0.00 -0.16 0.00 0.00 57.16 52.71 3fwc n GLU 16 Cb 0.00 -1.86 -0.09 0.00 1.43 0.00 0.00 31.44 30.92 3fwc n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3fwc s LEU 17 N -2.99 3.68 0.78 -1.84 1.43 -1.26 -5.06 118.68 113.42 3fwc s LEU 17 Ca 0.42 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.53 3fwc s LEU 17 Cb 0.35 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.78 3fwc s LEU 17 CO -0.09 0.35 1.23 -0.76 0.23 0.00 0.00 176.35 177.30 3fwc s LEU 18 N -0.69 3.22 0.36 1.79 1.43 -1.26 -4.78 118.68 118.75 3fwc s LEU 18 Ca 0.11 2.43 0.05 0.00 -1.03 0.00 0.00 54.13 55.69 3fwc s LEU 18 Cb -0.12 -4.60 0.71 0.00 0.03 0.00 0.00 46.19 42.22 3fwc s LEU 18 CO 0.02 -2.56 1.99 -0.08 0.23 0.00 0.00 176.35 175.95 3fwc h GLU 19 N -0.63 0.76 -0.03 1.70 4.57 -1.99 -0.30 114.58 118.67 3fwc h GLU 19 Ca -0.47 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 57.51 3fwc h GLU 19 Cb 1.31 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 3fwc h GLU 19 CO 0.47 0.50 -0.67 1.05 -1.18 0.00 0.00 179.01 179.19 3fwc h GLU 20 N 0.78 0.12 -0.64 1.92 4.11 -1.99 -1.99 114.58 116.89 3fwc h GLU 20 Ca 0.27 -0.10 -0.04 0.00 0.07 0.00 0.00 59.36 59.57 3fwc h GLU 20 Cb 0.10 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3fwc h GLU 20 CO -0.08 0.75 0.25 1.96 0.07 0.00 0.00 179.01 181.96 3fwc h GLN 21 N 0.09 0.94 -0.02 1.06 4.20 -1.43 0.99 115.11 120.95 3fwc h GLN 21 Ca -0.01 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 3fwc h GLN 21 Cb 1.19 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3fwc h GLN 21 CO 0.10 0.77 -0.38 0.87 -0.67 0.00 0.00 178.83 179.53 3fwc h LYS 22 N 0.93 0.03 -0.18 1.46 1.57 -0.94 -2.60 116.57 116.84 3fwc h LYS 22 Ca 0.22 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 3fwc h LYS 22 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3fwc h LYS 22 CO -0.02 0.40 -0.41 1.96 -0.57 0.00 0.00 179.45 180.81 3fwc h GLN 23 N 0.03 0.60 -0.66 3.15 1.08 -0.55 -2.33 115.11 116.43 3fwc h GLN 23 Ca 0.00 -0.40 0.13 0.00 -1.45 0.00 0.00 58.65 56.93 3fwc h GLN 23 Cb 0.68 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 28.07 3fwc h GLN 23 CO 0.05 1.02 0.14 0.93 -0.95 0.00 0.00 178.83 180.02 3fwc h GLU 24 N 0.26 0.25 -0.16 1.46 5.08 -0.54 0.46 114.58 121.39 3fwc h GLU 24 Ca -0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3fwc h GLU 24 Cb 1.02 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3fwc h GLU 24 CO 0.09 0.16 -0.05 0.82 -1.00 0.00 0.00 179.01 179.03 3fwc h ILE 25 N 0.26 1.30 -0.37 3.13 2.04 -1.40 -2.08 117.51 120.39 3fwc h ILE 25 Ca 0.36 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 3fwc h ILE 25 Cb 0.56 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3fwc h ILE 25 CO -0.46 0.31 -0.19 0.22 0.00 0.00 0.00 178.15 178.03 3fwc h TYR 26 N 0.00 0.77 -0.18 1.37 3.20 -0.84 -1.98 116.97 119.32 3fwc h TYR 26 Ca 0.04 -0.16 -0.13 0.00 3.14 0.00 0.00 58.73 61.62 3fwc h TYR 26 Cb 0.50 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3fwc h TYR 26 CO 0.06 0.83 -0.44 0.93 -1.64 0.00 0.00 178.16 177.90 3fwc h GLU 27 N 0.62 0.43 -0.07 1.82 5.08 -0.83 -2.00 114.58 119.63 3fwc h GLU 27 Ca 0.09 -0.23 -0.20 0.00 -1.00 0.00 0.00 59.36 58.02 3fwc h GLU 27 Cb 0.66 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3fwc h GLU 27 CO 0.05 0.79 -0.80 0.00 -1.00 0.00 0.00 179.01 178.05 3fwc h ALA 28 N 1.18 0.48 -0.06 3.43 0.00 -1.13 -2.04 119.26 121.11 3fwc h ALA 28 Ca 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 3fwc h ALA 28 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3fwc h ALA 28 CO 0.08 0.76 -0.17 0.35 0.00 0.00 0.00 179.25 180.27 3fwc h PHE 29 N 0.31 0.29 -0.84 0.00 3.57 -1.31 -3.17 116.94 115.78 3fwc h PHE 29 Ca -0.05 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.42 3fwc h PHE 29 Cb 1.40 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 40.03 3fwc h PHE 29 CO 0.06 0.79 0.55 0.77 -2.23 0.00 0.00 178.31 178.24 3fwc h SER 30 N -0.30 0.76 0.48 0.41 0.02 -1.40 -1.59 113.55 111.93 3fwc h SER 30 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3fwc h SER 30 Cb 0.79 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3fwc h SER 30 CO 0.04 0.46 0.00 -0.11 -1.14 0.00 0.00 176.83 176.08 3fwc n LEU 31 N -4.51 0.66 0.00 5.07 7.94 -0.77 -2.33 117.00 123.06 3fwc n LEU 31 Ca 0.14 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 3fwc n LEU 31 Cb 0.29 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.56 3fwc n LEU 31 CO 0.32 -0.71 0.36 0.49 -1.11 0.00 0.00 177.39 176.74 3fwc n PHE 32 N -2.28 0.00 -1.70 1.96 3.01 -0.93 -4.82 117.46 112.70 3fwc n PHE 32 Ca 0.01 -0.24 -0.42 0.00 1.01 0.00 0.00 57.45 57.81 3fwc n PHE 32 Cb 0.16 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3fwc n PHE 32 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3fwc n ASP 33 N -0.24 4.60 -0.30 4.37 4.64 -0.64 -4.83 116.55 124.15 3fwc n ASP 33 Ca 0.00 -2.82 0.17 0.00 -1.38 0.00 0.00 54.79 50.76 3fwc n ASP 33 Cb 0.34 -1.64 0.43 0.00 -1.04 0.00 0.00 41.12 39.21 3fwc n ASP 33 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 3fwc h MET 34 N 5.85 0.55 -0.22 -0.67 2.86 -1.87 -0.38 114.93 121.05 3fwc h MET 34 Ca 0.61 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.21 3fwc h MET 34 Cb 0.59 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3fwc h MET 34 CO 1.86 0.37 0.00 0.27 1.06 0.00 0.00 176.91 180.47 3fwc n ASN 35 N -4.63 3.40 -2.21 1.22 0.23 -1.26 -4.96 115.26 107.05 3fwc n ASN 35 Ca 0.22 -2.82 -0.07 0.00 -0.53 0.00 0.00 54.58 51.38 3fwc n ASN 35 Cb 0.66 -0.45 -0.01 0.00 -2.08 0.00 0.00 39.78 37.90 3fwc n ASN 35 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3fwc n ASN 36 N -0.49 -2.44 0.03 0.53 4.13 -0.15 -4.77 115.26 112.10 3fwc n ASN 36 Ca 0.18 0.30 0.08 0.00 1.68 0.00 0.00 54.58 56.82 3fwc n ASN 36 Cb 0.75 -2.21 0.35 0.00 -1.54 0.00 0.00 39.78 37.13 3fwc n ASN 36 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3fwc n ASP 37 N -1.29 0.15 0.00 6.41 5.75 -1.26 -4.87 116.55 121.44 3fwc n ASP 37 Ca -0.08 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 3fwc n ASP 37 Cb 0.49 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3fwc n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fwc n GLY 38 N 0.02 0.80 3.42 6.12 0.00 -1.26 -5.04 105.19 109.25 3fwc n GLY 38 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3fwc n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwc s PHE 39 N -3.11 2.05 -0.04 1.61 0.40 -1.26 -3.50 117.98 114.11 3fwc s PHE 39 Ca 0.00 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3fwc s PHE 39 Cb 0.00 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 3fwc s PHE 39 CO 0.00 0.56 -0.21 -0.51 0.70 0.00 0.00 175.22 175.77 3fwc s LEU 40 N -3.43 1.99 0.78 -0.37 1.43 -0.54 -4.76 118.68 113.78 3fwc s LEU 40 Ca 0.27 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3fwc s LEU 40 Cb -0.03 -1.13 0.14 0.00 0.03 0.00 0.00 46.19 45.20 3fwc s LEU 40 CO 0.12 0.20 1.07 1.51 0.23 0.00 0.00 176.35 179.48 3fwc s ASP 41 N -0.13 4.10 0.17 2.29 -4.77 -1.26 -1.51 116.67 115.56 3fwc s ASP 41 Ca -0.02 -0.13 -0.18 0.00 -3.30 0.00 0.00 52.55 48.92 3fwc s ASP 41 Cb -0.12 -0.19 0.10 0.00 -1.09 0.00 0.00 42.92 41.62 3fwc s ASP 41 CO 0.02 -2.04 1.64 0.22 0.70 0.00 0.00 175.17 175.71 3fwc h TYR 42 N -0.80 -0.41 -0.34 2.11 3.20 -1.99 0.23 116.97 118.97 3fwc h TYR 42 Ca -0.39 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.53 3fwc h TYR 42 Cb 1.26 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.76 3fwc h TYR 42 CO -0.38 -0.25 0.22 0.45 -1.64 0.00 0.00 178.16 176.55 3fwc h HIS 43 N -0.09 0.41 -0.39 -3.82 3.86 -1.99 -1.06 115.15 112.08 3fwc h HIS 43 Ca 0.20 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.33 3fwc h HIS 43 Cb 0.39 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3fwc h HIS 43 CO -0.41 0.26 -0.12 0.93 0.86 0.00 0.00 177.93 179.45 3fwc h GLU 44 N 0.44 0.76 -0.64 2.45 5.08 -1.73 -2.66 114.58 118.28 3fwc h GLU 44 Ca 0.12 -0.30 0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3fwc h GLU 44 Cb -0.04 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 3fwc h GLU 44 CO -0.03 0.91 0.32 1.25 -1.00 0.00 0.00 179.01 180.46 3fwc h LEU 45 N 0.57 0.44 -1.30 1.33 5.85 -0.39 0.70 115.31 122.51 3fwc h LEU 45 Ca 0.10 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3fwc h LEU 45 Cb 0.64 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3fwc h LEU 45 CO 0.04 0.28 -0.35 0.50 -0.34 0.00 0.00 178.44 178.57 3fwc h LYS 46 N 0.59 0.00 0.04 1.25 3.64 -0.95 -1.16 116.57 119.97 3fwc h LYS 46 Ca 0.30 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.39 3fwc h LYS 46 Cb 0.26 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3fwc h LYS 46 CO -0.22 0.35 -1.56 -0.39 -2.27 0.00 0.00 179.45 175.36 3fwc h VAL 47 N 0.00 1.06 -0.47 2.00 -1.51 -1.20 -3.14 116.25 113.00 3fwc h VAL 47 Ca -0.00 -2.83 0.01 0.00 -1.23 0.00 0.00 66.70 62.65 3fwc h VAL 47 Cb 0.62 2.59 -0.03 0.00 -2.13 0.00 0.00 31.29 32.33 3fwc h VAL 47 CO 0.05 0.69 0.29 0.00 -1.23 0.00 0.00 177.57 177.37 3fwc h ALA 48 N 0.80 0.59 -0.48 5.19 0.00 -0.60 -0.94 119.26 123.83 3fwc h ALA 48 Ca -0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3fwc h ALA 48 Cb 1.97 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 3fwc h ALA 48 CO 0.11 -0.00 0.14 0.52 0.00 0.00 0.00 179.25 180.01 3fwc h MET 49 N 0.59 0.71 0.00 0.00 2.07 -1.34 -1.86 114.93 115.10 3fwc h MET 49 Ca 0.18 -0.12 -0.09 0.00 -2.07 0.00 0.00 59.70 57.59 3fwc h MET 49 Cb -0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.58 3fwc h MET 49 CO -0.07 0.63 -0.45 -0.22 1.07 0.00 0.00 176.91 177.87 3fwc h LYS 50 N 0.69 0.00 0.00 1.72 3.64 -1.00 -0.39 116.57 121.23 3fwc h LYS 50 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3fwc h LYS 50 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3fwc h LYS 50 CO -0.01 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 3fwc h ALA 51 N 1.55 1.00 -0.41 5.00 0.00 -0.32 0.55 119.26 126.62 3fwc h ALA 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fwc h ALA 51 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fwc h ALA 51 CO 0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3fwc n LEU 52 N -2.31 3.11 0.00 0.00 4.77 -0.73 -4.97 117.00 116.87 3fwc n LEU 52 Ca 0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 3fwc n LEU 52 Cb 0.15 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3fwc n LEU 52 CO 0.16 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3fwc n GLY 53 N 0.73 0.80 3.66 -0.72 0.00 0.18 -5.03 105.19 104.81 3fwc n GLY 53 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3fwc n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwc s PHE 54 N -3.15 3.31 -0.11 1.61 0.08 -0.23 -4.94 117.98 114.55 3fwc s PHE 54 Ca 0.00 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.26 3fwc s PHE 54 Cb 0.00 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3fwc s PHE 54 CO 0.00 0.09 -0.14 -1.21 -0.10 0.00 0.00 175.22 173.86 3fwc s GLU 55 N 0.91 2.11 0.08 0.44 2.02 -1.26 -2.32 118.70 120.69 3fwc s GLU 55 Ca 0.07 -0.52 0.05 0.00 0.02 0.00 0.00 54.97 54.60 3fwc s GLU 55 Cb -0.13 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 3fwc s GLU 55 CO 0.03 -0.10 -0.14 -0.51 0.02 0.00 0.00 175.26 174.56 3fwc s LEU 56 N 1.09 2.31 0.38 1.80 1.43 -1.26 -5.12 118.68 119.30 3fwc s LEU 56 Ca -0.05 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.11 3fwc s LEU 56 Cb -0.14 -0.54 -0.11 0.00 0.03 0.00 0.00 46.19 45.43 3fwc s LEU 56 CO -0.03 -0.09 1.42 -2.65 0.23 0.00 0.00 176.35 175.23 3fwc n PRO 57 N 1.08 2.45 -0.31 1.29 -0.02 -1.26 -4.80 135.00 133.43 3fwc n PRO 57 Ca -0.20 0.86 0.17 0.00 -2.02 0.00 0.00 63.50 62.32 3fwc n PRO 57 Cb 0.55 -2.56 0.36 0.00 -0.02 0.00 0.00 33.50 31.83 3fwc n PRO 57 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fwc h LYS 58 N 2.74 0.25 0.01 -0.52 1.57 -2.00 0.33 116.57 118.95 3fwc h LYS 58 Ca -0.49 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3fwc h LYS 58 Cb 1.26 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3fwc h LYS 58 CO 0.63 0.17 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.58 3fwc h ARG 59 N 0.26 -0.02 -0.45 3.15 2.43 -1.99 -1.98 114.38 115.79 3fwc h ARG 59 Ca 0.63 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.86 3fwc h ARG 59 Cb 1.34 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.81 3fwc h ARG 59 CO -0.64 0.21 -0.53 0.93 -1.51 0.00 0.00 179.97 178.43 3fwc h GLU 60 N -0.24 -0.35 -0.36 0.20 4.39 -1.31 0.32 114.58 117.25 3fwc h GLU 60 Ca -0.00 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.77 3fwc h GLU 60 Cb 0.23 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 3fwc h GLU 60 CO 0.00 -0.23 0.11 0.82 -1.16 0.00 0.00 179.01 178.55 3fwc h ILE 61 N -0.36 0.87 -0.78 3.13 2.04 -1.41 -2.20 117.51 118.81 3fwc h ILE 61 Ca 0.10 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3fwc h ILE 61 Cb 0.59 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3fwc h ILE 61 CO -0.62 0.04 0.50 -0.07 0.00 0.00 0.00 178.15 178.01 3fwc h LEU 62 N 0.25 0.85 -1.14 1.44 3.38 -0.78 -1.99 115.31 117.31 3fwc h LEU 62 Ca 0.16 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3fwc h LEU 62 Cb 0.16 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3fwc h LEU 62 CO -0.19 0.60 0.58 0.44 0.09 0.00 0.00 178.44 179.97 3fwc h ASP 63 N 1.00 0.96 -0.46 -0.43 3.32 -0.36 -1.12 116.42 119.33 3fwc h ASP 63 Ca 0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3fwc h ASP 63 Cb -0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3fwc h ASP 63 CO -0.09 0.66 0.26 -0.07 -1.72 0.00 0.00 179.24 178.27 3fwc h LEU 64 N 1.11 0.57 -0.32 1.55 3.38 -0.85 -1.39 115.31 119.37 3fwc h LEU 64 Ca 0.35 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3fwc h LEU 64 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3fwc h LEU 64 CO -0.11 0.49 0.17 0.40 0.09 0.00 0.00 178.44 179.49 3fwc h ILE 65 N 0.61 1.01 -0.13 1.22 2.04 -0.75 -0.88 117.51 120.63 3fwc h ILE 65 Ca 0.16 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3fwc h ILE 65 Cb 0.04 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3fwc h ILE 65 CO -0.03 0.07 -0.30 0.44 0.00 0.00 0.00 178.15 178.33 3fwc h ASP 66 N 0.36 0.24 -0.37 1.72 3.32 -1.22 0.27 116.42 120.73 3fwc h ASP 66 Ca 0.13 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3fwc h ASP 66 Cb 0.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3fwc h ASP 66 CO -0.07 0.54 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.73 3fwc h GLU 67 N 0.22 0.85 -0.28 3.56 4.81 -0.38 -3.07 114.58 120.28 3fwc h GLU 67 Ca 0.03 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3fwc h GLU 67 Cb 0.64 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3fwc h GLU 67 CO 0.05 0.96 0.00 0.66 -0.73 0.00 0.00 179.01 179.95 3fwc n TYR 68 N -4.13 0.36 -2.46 0.92 4.02 -0.42 -4.82 117.16 110.63 3fwc n TYR 68 Ca 0.01 -0.22 -0.39 0.00 -0.01 0.00 0.00 57.90 57.28 3fwc n TYR 68 Cb 0.42 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.72 3fwc n TYR 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3fwc s ASP 69 N -1.35 6.40 0.48 7.72 2.15 0.91 -4.71 116.67 128.26 3fwc s ASP 69 Ca 0.31 -2.16 0.20 0.00 0.43 0.00 0.00 52.55 51.33 3fwc s ASP 69 Cb 0.18 -2.58 1.19 0.00 -0.30 0.00 0.00 42.92 41.41 3fwc s ASP 69 CO 0.26 -1.63 2.01 -1.28 -0.17 0.00 0.00 175.17 174.36 3fwc h SER 70 N 8.29 0.00 0.32 -0.34 0.87 -1.87 -3.30 113.55 117.52 3fwc h SER 70 Ca 0.37 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.61 3fwc h SER 70 Cb 0.90 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 3fwc h SER 70 CO 1.40 0.17 -1.86 -0.62 -0.53 0.00 0.00 176.83 175.39 3fwc n GLU 71 N -3.97 0.69 -0.28 2.24 -0.58 -1.26 -4.98 120.64 112.50 3fwc n GLU 71 Ca -0.02 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 3fwc n GLU 71 Cb 0.26 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3fwc n GLU 71 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fwc n GLY 72 N 1.75 0.86 0.91 0.62 0.00 -1.24 -4.98 105.19 103.11 3fwc n GLY 72 Ca -0.24 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 45.88 3fwc n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwc n ARG 73 N -2.28 2.17 -3.26 1.61 1.74 -1.26 -4.95 116.66 110.44 3fwc n ARG 73 Ca 0.00 -1.78 -0.23 0.00 -0.77 0.00 0.00 57.85 55.06 3fwc n ARG 73 Cb 0.00 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.02 3fwc n ARG 73 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3fwc n HIS 74 N 0.98 -1.99 -4.35 -1.55 8.25 -1.26 -4.98 115.22 110.31 3fwc n HIS 74 Ca 0.18 0.57 -0.18 0.00 -0.26 0.00 0.00 57.72 58.02 3fwc n HIS 74 Cb 0.47 -3.91 -0.10 0.00 1.12 0.00 0.00 29.99 27.57 3fwc n HIS 74 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fwc s LEU 75 N -6.70 2.24 -0.11 2.41 1.43 -1.26 -4.50 118.68 112.18 3fwc s LEU 75 Ca 0.39 -1.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 3fwc s LEU 75 Cb -0.19 -0.33 0.01 0.00 0.03 0.00 0.00 46.19 45.71 3fwc s LEU 75 CO 0.48 -0.49 -0.18 -0.32 0.23 0.00 0.00 176.35 176.07 3fwc s MET 76 N -3.84 2.48 0.64 1.70 -2.45 -0.57 -4.66 119.30 112.60 3fwc s MET 76 Ca 0.29 -0.66 -0.11 0.00 -1.25 0.00 0.00 55.69 53.96 3fwc s MET 76 Cb 0.05 -2.04 -0.03 0.00 1.25 0.00 0.00 34.83 34.07 3fwc s MET 76 CO 0.09 -0.02 1.04 -1.59 1.05 0.00 0.00 175.02 175.59 3fwc s LYS 77 N 0.85 3.38 0.28 4.11 -2.85 -1.26 -1.46 119.74 122.79 3fwc s LYS 77 Ca -0.08 0.84 -0.04 0.00 -1.00 0.00 0.00 55.97 55.69 3fwc s LYS 77 Cb -0.15 -2.05 0.36 0.00 -2.06 0.00 0.00 37.83 33.93 3fwc s LYS 77 CO -0.00 -0.74 1.95 -0.92 0.10 0.00 0.00 175.35 175.73 3fwc h TYR 78 N -0.39 1.13 -0.60 1.78 3.20 -1.97 -1.60 116.97 118.53 3fwc h TYR 78 Ca -0.44 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.53 3fwc h TYR 78 Cb 1.20 -0.38 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 3fwc h TYR 78 CO 0.64 0.72 0.27 -0.44 -1.64 0.00 0.00 178.16 177.72 3fwc h ASP 79 N 1.21 0.35 0.21 -2.11 3.32 -1.93 0.24 116.42 117.71 3fwc h ASP 79 Ca 0.33 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 3fwc h ASP 79 Cb -0.13 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3fwc h ASP 79 CO -0.07 0.22 -0.65 0.44 -1.72 0.00 0.00 179.24 177.46 3fwc h ASP 80 N 0.50 0.47 -0.10 6.45 3.32 -1.82 -2.79 116.42 122.46 3fwc h ASP 80 Ca 0.29 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3fwc h ASP 80 Cb 0.28 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3fwc h ASP 80 CO -0.24 0.99 -0.00 0.15 -1.72 0.00 0.00 179.24 178.42 3fwc h PHE 81 N 0.30 0.29 -0.00 4.55 3.57 -0.45 -2.22 116.94 122.97 3fwc h PHE 81 Ca -0.01 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.31 3fwc h PHE 81 Cb 1.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 3fwc h PHE 81 CO 0.04 0.31 -0.75 -0.92 -2.23 0.00 0.00 178.31 174.75 3fwc h TYR 82 N 0.28 0.07 0.18 0.41 3.20 -0.72 -1.61 116.97 118.79 3fwc h TYR 82 Ca 0.07 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3fwc h TYR 82 Cb 0.20 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3fwc h TYR 82 CO 0.00 0.78 -0.09 0.82 -1.64 0.00 0.00 178.16 178.04 3fwc h ILE 83 N 0.03 0.68 -0.55 1.81 2.04 -1.22 -0.66 117.51 119.64 3fwc h ILE 83 Ca -0.01 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.82 3fwc h ILE 83 Cb 1.33 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3fwc h ILE 83 CO 0.10 0.18 0.28 0.58 0.00 0.00 0.00 178.15 179.30 3fwc h VAL 84 N -0.92 0.95 0.28 1.67 2.07 -1.48 -1.55 116.25 117.25 3fwc h VAL 84 Ca -0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3fwc h VAL 84 Cb 0.49 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3fwc h VAL 84 CO 0.04 0.10 -0.13 0.24 0.02 0.00 0.00 177.57 177.84 3fwc h MET 85 N 0.54 -0.36 -0.93 1.57 2.86 -1.40 -3.03 114.93 114.18 3fwc h MET 85 Ca 0.25 0.02 0.27 0.00 -2.06 0.00 0.00 59.70 58.18 3fwc h MET 85 Cb 0.16 0.08 -0.15 0.00 0.06 0.00 0.00 31.60 31.75 3fwc h MET 85 CO -0.17 -0.01 0.29 0.78 1.06 0.00 0.00 176.91 178.86 3fwc h GLY 86 N -0.85 1.55 0.74 8.32 0.00 -0.96 -0.47 103.07 111.41 3fwc h GLY 86 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3fwc h GLY 86 CO 0.06 -0.45 -0.43 0.83 0.00 0.00 0.00 176.54 176.55 3fwc h GLU 87 N 0.18 -1.04 -0.07 4.80 5.08 -1.27 -1.84 114.58 120.42 3fwc h GLU 87 Ca 0.62 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 59.07 3fwc h GLU 87 Cb 1.33 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 3fwc h GLU 87 CO -0.70 -0.70 0.07 0.87 -1.00 0.00 0.00 179.01 177.56 3fwc h LYS 88 N -1.08 0.00 -0.04 2.33 1.57 -1.08 -0.06 116.57 118.20 3fwc h LYS 88 Ca -0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 3fwc h LYS 88 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 3fwc h LYS 88 CO 0.12 0.00 -0.81 0.82 -0.57 0.00 0.00 179.45 179.01 3fwc h ILE 89 N 0.00 1.40 -0.68 1.86 2.04 -0.84 -3.05 117.51 118.24 3fwc h ILE 89 Ca 0.03 -2.29 -0.04 0.00 1.00 0.00 0.00 64.86 63.56 3fwc h ILE 89 Cb 0.17 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 3fwc h ILE 89 CO -0.00 0.68 0.26 -0.07 0.00 0.00 0.00 178.15 179.02 3fwc h LEU 90 N 0.24 0.93 -3.74 1.44 3.38 -0.16 -2.99 115.31 114.41 3fwc h LEU 90 Ca -0.05 -0.14 -0.51 0.00 0.09 0.00 0.00 57.88 57.28 3fwc h LEU 90 Cb 1.41 -0.24 -0.22 0.00 0.09 0.00 0.00 40.66 41.70 3fwc h LEU 90 CO 0.14 0.84 0.66 1.17 0.09 0.00 0.00 178.44 181.33 3fwc n LYS 91 N -4.29 2.26 -4.10 1.13 4.81 -1.03 -4.91 118.16 112.04 3fwc n LYS 91 Ca 0.06 -2.49 -0.36 0.00 -0.87 0.00 0.00 58.31 54.65 3fwc n LYS 91 Cb 0.19 -1.98 -0.08 0.00 0.02 0.00 0.00 35.03 33.18 3fwc n LYS 91 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3fwc s ARG 92 N -2.88 3.28 -0.21 1.64 3.52 -1.13 -5.00 118.95 118.16 3fwc s ARG 92 Ca 0.49 -0.26 -0.28 0.00 -0.13 0.00 0.00 55.73 55.56 3fwc s ARG 92 Cb 0.39 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 3fwc s ARG 92 CO 0.00 0.72 0.96 0.34 -0.81 0.00 0.00 175.30 176.51 3fwc s ASP 93 N -0.89 7.05 0.33 -2.12 2.15 -1.26 -4.93 116.67 116.99 3fwc s ASP 93 Ca 0.14 1.30 0.11 0.00 0.43 0.00 0.00 52.55 54.53 3fwc s ASP 93 Cb -0.12 -2.51 0.91 0.00 -0.30 0.00 0.00 42.92 40.90 3fwc s ASP 93 CO 0.03 -0.57 1.75 -0.65 -0.17 0.00 0.00 175.17 175.56 3fwc h PRO 94 N 7.43 0.55 0.02 4.34 0.11 -1.98 -2.74 132.00 139.74 3fwc h PRO 94 Ca -0.23 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3fwc h PRO 94 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3fwc h PRO 94 CO 0.92 0.37 -0.01 1.25 -0.21 0.00 0.00 178.00 180.32 3fwc h LEU 95 N 0.57 -0.03 -1.72 2.35 5.85 -2.00 -2.86 115.31 117.48 3fwc h LEU 95 Ca 0.62 -0.48 0.15 0.00 0.84 0.00 0.00 57.88 59.01 3fwc h LEU 95 Cb 1.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3fwc h LEU 95 CO -0.42 0.48 0.47 0.44 -0.34 0.00 0.00 178.44 179.07 3fwc h ASP 96 N -0.54 0.26 -0.24 1.25 5.19 -1.91 0.21 116.42 120.64 3fwc h ASP 96 Ca -0.00 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 3fwc h ASP 96 Cb 0.51 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3fwc h ASP 96 CO 0.01 0.14 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.81 3fwc h GLU 97 N 0.28 0.51 -0.17 3.56 4.39 -1.49 -0.91 114.58 120.74 3fwc h GLU 97 Ca 0.34 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 3fwc h GLU 97 Cb 0.92 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 3fwc h GLU 97 CO -0.08 0.78 -0.10 0.82 -1.16 0.00 0.00 179.01 179.26 3fwc h ILE 98 N 0.22 1.17 0.10 3.13 2.04 -0.78 -1.42 117.51 121.97 3fwc h ILE 98 Ca 0.05 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 3fwc h ILE 98 Cb 0.63 1.16 0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3fwc h ILE 98 CO 0.04 0.24 -0.58 0.11 0.00 0.00 0.00 178.15 177.95 3fwc h LYS 99 N 0.25 0.23 -0.78 2.37 1.57 -1.11 -1.86 116.57 117.23 3fwc h LYS 99 Ca 0.05 -0.37 0.14 0.00 -1.87 0.00 0.00 60.65 58.61 3fwc h LYS 99 Cb 0.35 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3fwc h LYS 99 CO 0.02 1.17 0.52 0.00 -0.57 0.00 0.00 179.45 180.58 3fwc h ARG 100 N -0.52 0.47 -0.11 3.15 3.08 -1.10 -0.77 114.38 118.59 3fwc h ARG 100 Ca -0.10 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3fwc h ARG 100 Cb 1.45 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 3fwc h ARG 100 CO 0.11 0.31 -0.06 0.00 -1.07 0.00 0.00 179.97 179.26 3fwc h ALA 101 N 1.63 0.15 -0.05 0.04 0.00 -1.23 -2.29 119.26 117.50 3fwc h ALA 101 Ca 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fwc h ALA 101 Cb 0.80 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3fwc h ALA 101 CO -0.14 -0.06 0.04 0.35 0.00 0.00 0.00 179.25 179.45 3fwc h PHE 102 N -0.14 0.00 0.01 0.00 3.57 -0.32 0.57 116.94 120.63 3fwc h PHE 102 Ca 0.02 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.28 3fwc h PHE 102 Cb 0.53 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.28 3fwc h PHE 102 CO 0.07 0.00 -0.99 1.96 -2.23 0.00 0.00 178.31 177.12 3fwc h GLN 103 N 0.00 0.48 -0.61 1.11 4.20 -1.14 -2.86 115.11 116.29 3fwc h GLN 103 Ca 0.02 -0.53 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 3fwc h GLN 103 Cb 0.11 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3fwc h GLN 103 CO -0.00 1.17 0.25 -0.07 -0.67 0.00 0.00 178.83 179.51 3fwc h LEU 104 N 0.27 0.83 -0.44 1.46 3.38 -0.37 -3.03 115.31 117.41 3fwc h LEU 104 Ca -0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3fwc h LEU 104 Cb 1.63 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 3fwc h LEU 104 CO 0.18 0.77 0.18 -0.26 0.09 0.00 0.00 178.44 179.39 3fwc h PHE 105 N 0.84 0.66 -3.57 1.13 -1.00 -1.14 -3.34 116.94 110.52 3fwc h PHE 105 Ca 0.20 -0.05 -0.79 0.00 2.81 0.00 0.00 57.97 60.15 3fwc h PHE 105 Cb 0.19 -0.20 -0.29 0.00 3.61 0.00 0.00 35.95 39.27 3fwc h PHE 105 CO 0.01 0.57 0.35 0.34 -1.61 0.00 0.00 178.31 177.97 3fwc s ASP 106 N -5.89 7.11 0.00 2.17 2.15 -1.08 -4.79 116.67 116.34 3fwc s ASP 106 Ca -0.13 -3.51 0.29 0.00 0.43 0.00 0.00 52.55 49.62 3fwc s ASP 106 Cb 0.11 -2.18 1.18 0.00 -0.30 0.00 0.00 42.92 41.73 3fwc s ASP 106 CO 0.76 -0.30 1.82 -0.90 -0.17 0.00 0.00 175.17 176.37 3fwc n ASP 107 N 2.79 0.83 -0.37 -0.34 5.68 -1.25 -2.62 116.55 121.27 3fwc n ASP 107 Ca 0.22 -0.98 0.10 0.00 -0.50 0.00 0.00 54.79 53.63 3fwc n ASP 107 Cb 0.40 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.79 3fwc n ASP 107 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3fwc n ASP 108 N -0.55 1.12 -4.02 -1.12 5.68 -1.26 -4.94 116.55 111.46 3fwc n ASP 108 Ca 0.17 -1.64 -0.27 0.00 -0.50 0.00 0.00 54.79 52.56 3fwc n ASP 108 Cb 0.29 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 3fwc n ASP 108 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3fwc n HIS 109 N -0.03 -1.60 -0.09 2.11 8.25 -1.08 -4.87 115.22 117.90 3fwc n HIS 109 Ca 0.15 0.73 -0.13 0.00 -0.26 0.00 0.00 57.72 58.21 3fwc n HIS 109 Cb 0.24 -3.58 -0.14 0.00 1.12 0.00 0.00 29.99 27.63 3fwc n HIS 109 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3fwc n THR 110 N -4.42 1.47 -0.18 1.59 -1.04 -1.26 -4.98 114.28 105.45 3fwc n THR 110 Ca -0.29 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 60.97 3fwc n THR 110 Cb 0.68 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 3fwc n THR 110 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fwc n GLY 111 N 1.91 0.89 2.98 3.41 0.00 -1.26 -5.06 105.19 108.07 3fwc n GLY 111 Ca -0.36 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 3fwc n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwc s LYS 112 N -0.82 0.14 -0.24 1.61 1.02 -1.26 -3.87 119.74 116.32 3fwc s LYS 112 Ca 0.00 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.28 3fwc s LYS 112 Cb 0.00 -0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.18 3fwc s LYS 112 CO 0.00 -0.23 1.28 0.42 -0.92 0.00 0.00 175.35 175.90 3fwc s ILE 113 N 1.80 4.22 0.39 2.17 -1.09 0.20 -4.88 121.20 124.02 3fwc s ILE 113 Ca -0.04 1.42 0.08 0.00 -2.23 0.00 0.00 60.65 59.88 3fwc s ILE 113 Cb -0.11 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 3fwc s ILE 113 CO -0.08 -0.32 0.35 -0.44 -1.23 0.00 0.00 174.94 173.22 3fwc s SER 114 N 2.40 5.13 0.13 3.58 0.01 -1.26 -1.87 113.70 121.83 3fwc s SER 114 Ca 0.55 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.96 3fwc s SER 114 Cb -0.19 -0.70 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 3fwc s SER 114 CO 0.19 -0.55 1.71 0.40 0.41 0.00 0.00 173.24 175.40 3fwc h ILE 115 N 1.10 0.82 -0.62 1.44 2.04 -1.96 0.68 117.51 121.01 3fwc h ILE 115 Ca -0.42 -0.02 0.12 0.00 1.00 0.00 0.00 64.86 65.54 3fwc h ILE 115 Cb 1.26 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3fwc h ILE 115 CO 0.58 0.01 0.42 0.07 0.00 0.00 0.00 178.15 179.22 3fwc h LYS 116 N 0.05 0.31 0.51 2.37 2.10 -1.98 0.22 116.57 120.16 3fwc h LYS 116 Ca 0.11 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.72 3fwc h LYS 116 Cb 0.15 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.41 3fwc h LYS 116 CO -0.20 0.21 -0.25 -0.91 -2.00 0.00 0.00 179.45 176.30 3fwc h ASN 117 N 0.32 -0.58 -0.43 7.07 -0.26 -1.26 -0.50 115.58 119.94 3fwc h ASN 117 Ca 0.29 -0.00 0.01 0.00 -0.56 0.00 0.00 56.30 56.04 3fwc h ASN 117 Cb 0.72 0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.10 3fwc h ASN 117 CO -0.07 -0.38 0.27 0.25 -1.06 0.00 0.00 177.43 176.43 3fwc h LEU 118 N -0.74 0.45 -1.03 1.61 5.85 0.45 0.30 115.31 122.21 3fwc h LEU 118 Ca -0.07 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3fwc h LEU 118 Cb 0.55 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3fwc h LEU 118 CO 0.12 0.33 0.65 -0.09 -0.34 0.00 0.00 178.44 179.10 3fwc h ARG 119 N 0.55 1.21 -0.41 1.25 2.43 -0.70 0.15 114.38 118.86 3fwc h ARG 119 Ca 0.16 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3fwc h ARG 119 Cb -0.03 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 3fwc h ARG 119 CO -0.06 0.80 -0.05 -0.09 -1.51 0.00 0.00 179.97 179.06 3fwc h ARG 120 N 1.25 0.69 -0.13 0.20 1.12 0.51 -0.69 114.38 117.32 3fwc h ARG 120 Ca 0.40 -0.19 -0.22 0.00 -1.11 0.00 0.00 59.98 58.85 3fwc h ARG 120 Cb 0.01 -0.08 0.01 0.00 -0.01 0.00 0.00 29.97 29.90 3fwc h ARG 120 CO -0.12 0.74 -0.79 0.28 -3.11 0.00 0.00 179.97 176.96 3fwc h VAL 121 N 0.64 1.29 0.95 0.20 2.07 -0.40 -2.35 116.25 118.65 3fwc h VAL 121 Ca 0.12 -2.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.58 3fwc h VAL 121 Cb 0.48 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3fwc h VAL 121 CO 0.02 0.63 -0.46 0.00 0.02 0.00 0.00 177.57 177.79 3fwc h ALA 122 N 0.59 -1.33 -0.68 1.67 0.00 -0.26 -1.47 119.26 117.79 3fwc h ALA 122 Ca -0.06 -0.28 0.14 0.00 0.00 0.00 0.00 54.91 54.72 3fwc h ALA 122 Cb 1.42 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 19.58 3fwc h ALA 122 CO 0.16 -1.23 -0.12 0.87 0.00 0.00 0.00 179.25 178.93 3fwc h LYS 123 N -1.29 0.03 -0.88 0.00 1.57 -1.26 -1.81 116.57 112.91 3fwc h LYS 123 Ca -0.13 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.80 3fwc h LYS 123 Cb 0.98 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.18 3fwc h LYS 123 CO 0.21 0.02 0.47 1.49 -0.57 0.00 0.00 179.45 181.07 3fwc h GLU 124 N 0.03 0.64 -0.73 3.15 4.81 -0.98 -1.51 114.58 119.98 3fwc h GLU 124 Ca 0.34 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 3fwc h GLU 124 Cb 0.53 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.69 3fwc h GLU 124 CO -0.67 0.42 0.17 1.28 -0.73 0.00 0.00 179.01 179.48 3fwc n LEU 125 N -4.85 5.59 0.00 1.64 4.77 -0.59 -4.87 117.00 118.69 3fwc n LEU 125 Ca 0.18 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 3fwc n LEU 125 Cb 0.46 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3fwc n LEU 125 CO 0.21 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3fwc n GLY 126 N 0.12 1.13 3.59 -0.72 0.00 -0.57 -4.94 105.19 103.80 3fwc n GLY 126 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 3fwc n GLY 126 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fwc n GLU 127 N -2.00 0.93 -3.96 1.61 -0.58 -0.84 -4.96 120.64 110.85 3fwc n GLU 127 Ca 0.00 0.35 -0.31 0.00 -0.42 0.00 0.00 57.16 56.79 3fwc n GLU 127 Cb 0.00 -2.07 -0.15 0.00 -0.57 0.00 0.00 31.44 28.64 3fwc n GLU 127 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3fwc s THR 128 N -1.50 1.71 -0.03 2.62 -1.32 -1.26 -4.22 115.64 111.63 3fwc s THR 128 Ca 0.72 -1.52 0.01 0.00 -1.21 0.00 0.00 61.69 59.70 3fwc s THR 128 Cb -0.45 -2.03 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 3fwc s THR 128 CO 0.50 -0.24 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.86 3fwc s LEU 129 N 1.28 1.56 0.83 9.08 1.43 -1.26 -5.14 118.68 126.45 3fwc s LEU 129 Ca -0.02 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 3fwc s LEU 129 Cb -0.19 -0.39 0.07 0.00 0.03 0.00 0.00 46.19 45.71 3fwc s LEU 129 CO -0.08 -0.01 1.02 0.35 0.23 0.00 0.00 176.35 177.85 3fwc n THR 130 N 3.65 1.56 0.21 5.49 -2.24 -1.26 -4.84 114.28 116.86 3fwc n THR 130 Ca -0.22 -0.21 0.18 0.00 -2.27 0.00 0.00 64.05 61.53 3fwc n THR 130 Cb 0.53 -1.05 0.84 0.00 -2.10 0.00 0.00 70.33 68.55 3fwc n THR 130 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fwc h ASP 131 N -1.02 0.00 0.72 3.42 3.32 -2.01 -1.90 116.42 118.96 3fwc h ASP 131 Ca -0.45 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.38 3fwc h ASP 131 Cb 1.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.81 3fwc h ASP 131 CO 0.44 0.00 -1.40 -0.33 -1.72 0.00 0.00 179.24 176.22 3fwc h GLU 132 N 0.00 0.00 -0.68 3.56 5.08 -1.99 -2.85 114.58 117.70 3fwc h GLU 132 Ca 0.09 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3fwc h GLU 132 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 3fwc h GLU 132 CO -0.00 0.46 0.36 0.93 -1.00 0.00 0.00 179.01 179.75 3fwc h GLU 133 N 0.00 0.63 -0.35 2.33 4.39 -1.68 -0.95 114.58 118.95 3fwc h GLU 133 Ca -0.18 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.32 3fwc h GLU 133 Cb 1.75 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.25 3fwc h GLU 133 CO 0.07 0.42 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.84 3fwc h LEU 134 N 0.65 0.98 -0.94 1.33 3.38 -1.56 0.61 115.31 119.76 3fwc h LEU 134 Ca 0.32 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3fwc h LEU 134 Cb 0.26 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3fwc h LEU 134 CO -0.22 1.27 0.60 0.03 0.09 0.00 0.00 178.44 180.22 3fwc h ARG 135 N 0.71 1.25 -0.34 1.13 -0.00 -1.27 -1.13 114.38 114.73 3fwc h ARG 135 Ca 0.05 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.98 59.31 3fwc h ARG 135 Cb 1.02 -0.28 -0.01 0.00 0.00 0.00 0.00 29.97 30.70 3fwc h ARG 135 CO 0.10 0.85 -0.30 0.00 0.00 0.00 0.00 179.97 180.62 3fwc h ALA 136 N 1.33 0.82 0.12 0.04 0.00 -0.90 -0.83 119.26 119.84 3fwc h ALA 136 Ca 0.34 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fwc h ALA 136 Cb -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3fwc h ALA 136 CO -0.07 0.64 -0.24 0.52 0.00 0.00 0.00 179.25 180.10 3fwc h MET 137 N 0.63 -0.43 0.34 0.00 2.86 -0.36 -1.75 114.93 116.21 3fwc h MET 137 Ca 0.07 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3fwc h MET 137 Cb 0.82 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 3fwc h MET 137 CO 0.07 -0.29 -0.45 0.82 1.06 0.00 0.00 176.91 178.12 3fwc h ILE 138 N -0.45 0.11 -0.95 -1.22 2.04 -1.12 -2.76 117.51 113.15 3fwc h ILE 138 Ca 0.03 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.19 3fwc h ILE 138 Cb 0.47 0.11 -0.16 0.00 -0.74 0.00 0.00 36.82 36.49 3fwc h ILE 138 CO -0.14 0.00 0.27 -0.33 0.00 0.00 0.00 178.15 177.95 3fwc h GLU 139 N -0.84 0.11 -0.49 2.37 5.08 -0.98 -2.19 114.58 117.64 3fwc h GLU 139 Ca -0.03 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 3fwc h GLU 139 Cb 0.77 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3fwc h GLU 139 CO -0.13 0.07 0.39 0.93 -1.00 0.00 0.00 179.01 179.28 3fwc h GLU 140 N 0.11 0.00 0.00 2.33 5.08 -1.01 -3.31 114.58 117.79 3fwc h GLU 140 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 3fwc h GLU 140 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3fwc h GLU 140 CO -0.76 0.00 -0.09 1.19 -1.00 0.00 0.00 179.01 178.35 3fwc n PHE 141 N -4.17 0.00 -1.73 4.33 3.01 -0.87 -4.94 117.46 113.07 3fwc n PHE 141 Ca 0.09 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.14 3fwc n PHE 141 Cb 0.60 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.07 3fwc n PHE 141 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3fwc n ASP 142 N -0.22 6.35 -4.47 4.37 5.75 -0.89 -4.89 116.55 122.54 3fwc n ASP 142 Ca 0.00 -2.84 -0.35 0.00 -0.01 0.00 0.00 54.79 51.58 3fwc n ASP 142 Cb 0.00 -1.55 -0.12 0.00 -1.03 0.00 0.00 41.12 38.42 3fwc n ASP 142 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 3fwc s LEU 143 N 0.46 3.40 0.07 -2.12 0.05 -1.26 -3.77 118.68 115.50 3fwc s LEU 143 Ca 0.54 -0.16 0.06 0.00 0.05 0.00 0.00 54.13 54.62 3fwc s LEU 143 Cb 0.15 -1.88 -0.03 0.00 -2.05 0.00 0.00 46.19 42.39 3fwc s LEU 143 CO -0.06 0.05 -0.16 -1.81 -0.55 0.00 0.00 176.35 173.81 3fwc s ASP 144 N 1.13 1.96 0.06 1.48 1.01 -1.26 -5.04 116.67 116.01 3fwc s ASP 144 Ca 0.03 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.72 3fwc s ASP 144 Cb -0.14 -0.10 0.00 0.00 1.01 0.00 0.00 42.92 43.68 3fwc s ASP 144 CO 0.02 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.03 3fwc n GLY 145 N 1.48 -4.10 2.71 0.21 0.00 -1.25 -5.03 105.19 99.21 3fwc n GLY 145 Ca -0.19 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 3fwc n GLY 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fwc s ASP 146 N -0.22 1.93 -1.11 1.61 2.15 -1.26 -4.83 116.67 114.93 3fwc s ASP 146 Ca 0.00 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.34 3fwc s ASP 146 Cb 0.00 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.90 3fwc s ASP 146 CO 0.00 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 3fwc n GLY 147 N 5.30 1.00 3.39 2.66 0.00 -1.26 -4.88 105.19 111.39 3fwc n GLY 147 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3fwc n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fwc s GLU 148 N -2.80 0.90 -0.17 1.61 -1.05 -1.26 -4.63 118.70 111.29 3fwc s GLU 148 Ca 0.00 -0.01 -0.19 0.00 -0.15 0.00 0.00 54.97 54.61 3fwc s GLU 148 Cb 0.00 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 3fwc s GLU 148 CO 0.00 -0.28 0.56 0.42 0.95 0.00 0.00 175.26 176.91 3fwc s ILE 149 N -1.49 5.09 0.49 1.83 -1.09 -0.78 -4.83 121.20 120.42 3fwc s ILE 149 Ca -0.11 1.06 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 3fwc s ILE 149 Cb -0.02 -3.88 0.09 0.00 -1.58 0.00 0.00 42.46 37.07 3fwc s ILE 149 CO 0.06 0.19 0.68 -0.46 -1.23 0.00 0.00 174.94 174.17 3fwc n ASN 150 N 4.59 1.13 0.44 3.58 0.23 -1.26 0.62 115.26 124.60 3fwc n ASN 150 Ca -0.04 -1.90 -0.17 0.00 -0.53 0.00 0.00 54.58 51.94 3fwc n ASN 150 Cb 0.50 -0.42 -0.08 0.00 -2.08 0.00 0.00 39.78 37.70 3fwc n ASN 150 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3fwc h GLU 151 N 0.00 -1.07 0.00 -3.83 4.81 -1.99 0.06 114.58 112.55 3fwc h GLU 151 Ca -0.23 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3fwc h GLU 151 Cb 0.89 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3fwc h GLU 151 CO 0.26 -0.72 0.00 0.09 -0.73 0.00 0.00 179.01 177.92 3fwc n ASN 152 N -5.01 0.49 0.04 1.04 4.13 -1.26 -0.00 115.26 114.68 3fwc n ASN 152 Ca -0.14 0.68 -0.12 0.00 1.68 0.00 0.00 54.58 56.68 3fwc n ASN 152 Cb 0.44 -0.76 -0.09 0.00 -1.54 0.00 0.00 39.78 37.83 3fwc n ASN 152 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3fwc h GLU 153 N 0.00 -0.16 -0.27 3.52 4.39 -1.75 -2.91 114.58 117.40 3fwc h GLU 153 Ca 0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3fwc h GLU 153 Cb 0.15 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3fwc h GLU 153 CO 0.00 0.32 0.17 0.35 -1.16 0.00 0.00 179.01 178.69 3fwc h PHE 154 N -0.77 0.33 -0.74 4.33 3.57 0.14 -2.52 116.94 121.28 3fwc h PHE 154 Ca -0.02 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3fwc h PHE 154 Cb 0.55 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 3fwc h PHE 154 CO 0.10 0.20 0.37 0.82 -2.23 0.00 0.00 178.31 177.56 3fwc h ILE 155 N 0.36 0.82 -0.20 1.41 2.04 -0.55 -1.14 117.51 120.25 3fwc h ILE 155 Ca 0.10 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.80 3fwc h ILE 155 Cb -0.03 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 3fwc h ILE 155 CO -0.03 0.11 -0.11 0.00 0.00 0.00 0.00 178.15 178.12 3fwc h ALA 156 N 1.46 0.06 -0.24 1.87 0.00 -1.25 -1.45 119.26 119.71 3fwc h ALA 156 Ca 0.37 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.42 3fwc h ALA 156 Cb 0.42 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3fwc h ALA 156 CO -0.29 -0.53 -0.28 0.82 0.00 0.00 0.00 179.25 178.97 3fwc h ILE 157 N -0.09 0.33 0.00 0.00 2.04 -0.90 -2.26 117.51 116.63 3fwc h ILE 157 Ca 0.11 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 3fwc h ILE 157 Cb 0.26 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3fwc h ILE 157 CO -0.26 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.40