#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc s ASN 14 N 0.00 5.63 1.18 1.45 2.47 -1.26 -5.06 114.94 119.35 3fwc s ASN 14 Ca 0.00 -0.25 -0.14 0.00 0.42 0.00 0.00 52.86 52.89 3fwc s ASN 14 Cb 0.00 -0.85 0.28 0.00 -1.45 0.00 0.00 41.25 39.24 3fwc s ASN 14 CO 0.00 -0.79 1.03 -0.44 -3.72 0.00 0.00 177.10 173.18 3fwc s SER 15 N -4.33 0.92 -1.00 -4.21 0.01 -1.26 -4.42 113.70 99.41 3fwc s SER 15 Ca 0.54 1.32 -0.22 0.00 1.31 0.00 0.00 55.95 58.90 3fwc s SER 15 Cb -0.10 -2.05 0.07 0.00 0.21 0.00 0.00 66.02 64.16 3fwc s SER 15 CO 0.34 -4.21 1.36 -0.70 0.41 0.00 0.00 173.24 170.45 3fwc s GLU 16 N -4.64 3.61 -0.40 12.44 2.56 -1.26 -5.14 118.70 125.87 3fwc s GLU 16 Ca 0.68 -1.34 -0.15 0.00 0.00 0.00 0.00 54.97 54.17 3fwc s GLU 16 Cb -0.22 -5.23 0.01 0.00 2.00 0.00 0.00 34.13 30.69 3fwc s GLU 16 CO 0.63 -2.08 0.30 -0.51 -0.56 0.00 0.00 175.26 173.03 3fwc s LEU 17 N 4.27 4.99 1.04 2.70 1.43 -1.26 -5.00 118.68 126.85 3fwc s LEU 17 Ca 0.42 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3fwc s LEU 17 Cb -0.01 -2.17 0.21 0.00 0.03 0.00 0.00 46.19 44.25 3fwc s LEU 17 CO -0.09 -0.42 1.09 0.18 0.23 0.00 0.00 176.35 177.34 3fwc n LEU 18 N 5.17 1.17 0.06 1.79 4.77 -1.26 -4.82 117.00 123.89 3fwc n LEU 18 Ca -0.11 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 3fwc n LEU 18 Cb 0.47 -1.38 0.33 0.00 -2.33 0.00 0.00 43.42 40.51 3fwc n LEU 18 CO 0.40 -2.68 0.88 -0.33 -1.33 0.00 0.00 177.39 174.34 3fwc h GLU 19 N -2.27 0.37 -1.00 3.23 4.39 -1.99 -2.36 114.58 114.95 3fwc h GLU 19 Ca -0.52 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.16 3fwc h GLU 19 Cb 1.30 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 3fwc h GLU 19 CO 0.45 0.48 0.64 0.93 -1.16 0.00 0.00 179.01 180.35 3fwc h GLU 20 N 0.35 1.14 0.03 2.33 4.39 -1.99 -1.39 114.58 119.43 3fwc h GLU 20 Ca 0.07 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 3fwc h GLU 20 Cb 0.40 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3fwc h GLU 20 CO 0.02 0.75 -0.97 1.96 -1.16 0.00 0.00 179.01 179.61 3fwc h GLN 21 N 1.17 0.21 -0.21 2.33 4.20 -1.79 -1.68 115.11 119.34 3fwc h GLN 21 Ca 0.43 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 3fwc h GLN 21 Cb 0.16 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3fwc h GLN 21 CO -0.17 1.02 -0.41 0.87 -0.67 0.00 0.00 178.83 179.47 3fwc h LYS 22 N 0.10 0.49 0.00 1.46 1.57 -1.17 -1.96 116.57 117.05 3fwc h LYS 22 Ca -0.06 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 3fwc h LYS 22 Cb 1.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 3fwc h LYS 22 CO 0.15 0.82 -0.50 1.96 -0.57 0.00 0.00 179.45 181.30 3fwc h GLN 23 N 0.40 0.00 -0.18 3.15 1.08 -1.21 -2.53 115.11 115.82 3fwc h GLN 23 Ca 0.03 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 3fwc h GLN 23 Cb 0.89 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 3fwc h GLN 23 CO 0.08 0.50 -0.03 0.93 -0.95 0.00 0.00 178.83 179.36 3fwc h GLU 24 N 0.00 0.34 -0.42 1.46 5.08 -0.89 -1.96 114.58 118.18 3fwc h GLU 24 Ca -0.01 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3fwc h GLU 24 Cb 1.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3fwc h GLU 24 CO 0.07 0.59 -0.07 0.82 -1.00 0.00 0.00 179.01 179.41 3fwc h ILE 25 N 0.07 1.25 0.05 3.13 2.04 -1.29 -2.22 117.51 120.53 3fwc h ILE 25 Ca 0.05 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3fwc h ILE 25 Cb 0.45 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3fwc h ILE 25 CO 0.02 0.37 -0.02 0.22 0.00 0.00 0.00 178.15 178.73 3fwc h TYR 26 N 0.67 -0.06 -0.22 1.37 3.20 -1.40 -2.66 116.97 117.87 3fwc h TYR 26 Ca 0.12 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3fwc h TYR 26 Cb 0.52 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3fwc h TYR 26 CO 0.03 0.32 -0.22 0.93 -1.64 0.00 0.00 178.16 177.57 3fwc h GLU 27 N -0.45 0.41 -0.22 1.82 5.08 -1.24 -0.09 114.58 119.89 3fwc h GLU 27 Ca -0.01 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 3fwc h GLU 27 Cb 0.40 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3fwc h GLU 27 CO 0.01 0.61 -0.42 0.00 -1.00 0.00 0.00 179.01 178.21 3fwc h ALA 28 N 1.40 0.85 0.10 3.43 0.00 -1.45 -1.32 119.26 122.28 3fwc h ALA 28 Ca 0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3fwc h ALA 28 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fwc h ALA 28 CO 0.04 0.65 -0.05 0.35 0.00 0.00 0.00 179.25 180.24 3fwc h PHE 29 N 0.44 -0.13 -0.83 0.00 3.57 -1.03 -3.22 116.94 115.74 3fwc h PHE 29 Ca 0.04 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.68 3fwc h PHE 29 Cb 0.92 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 3fwc h PHE 29 CO 0.04 0.31 0.54 0.77 -2.23 0.00 0.00 178.31 177.74 3fwc h SER 30 N -0.64 0.54 -0.39 0.41 0.02 -1.00 -1.79 113.55 110.70 3fwc h SER 30 Ca -0.01 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3fwc h SER 30 Cb 0.50 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3fwc h SER 30 CO 0.02 0.28 0.26 0.25 -1.14 0.00 0.00 176.83 176.50 3fwc h LEU 31 N 0.57 0.38 -0.99 5.07 5.85 -1.24 -3.13 115.31 121.83 3fwc h LEU 31 Ca 0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.12 3fwc h LEU 31 Cb 0.76 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3fwc h LEU 31 CO -0.16 0.27 -0.03 0.49 -0.34 0.00 0.00 178.44 178.67 3fwc n PHE 32 N -4.48 0.00 -2.20 1.25 3.01 -0.82 -4.72 117.46 109.50 3fwc n PHE 32 Ca 0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.09 3fwc n PHE 32 Cb 0.13 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.59 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 0.04 4.27 -0.00 4.37 4.64 -0.74 -4.84 116.55 124.28 3fwc n ASP 33 Ca 0.02 -2.86 -0.15 0.00 -1.38 0.00 0.00 54.79 50.43 3fwc n ASP 33 Cb 0.10 -1.68 -0.10 0.00 -1.04 0.00 0.00 41.12 38.40 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 7.45 -0.56 -7.36 -0.67 2.86 -1.84 -3.34 114.93 111.47 3fwc h MET 34 Ca 0.45 0.04 -0.51 0.00 -2.06 0.00 0.00 59.70 57.62 3fwc h MET 34 Cb 0.81 0.13 0.06 0.00 0.06 0.00 0.00 31.60 32.65 3fwc h MET 34 CO 1.58 -0.38 0.42 0.54 1.06 0.00 0.00 176.91 180.13 3fwc s ASN 35 N -4.81 6.21 -0.33 1.22 4.22 -1.26 -4.99 114.94 115.20 3fwc s ASN 35 Ca -0.15 1.43 0.04 0.00 -2.14 0.00 0.00 52.86 52.03 3fwc s ASN 35 Cb 0.07 -2.47 0.53 0.00 1.28 0.00 0.00 41.25 40.66 3fwc s ASN 35 CO 0.60 -0.88 1.69 0.59 -2.04 0.00 0.00 177.10 177.06 3fwc n ASN 36 N -2.74 3.69 0.00 3.54 3.02 -1.25 -4.56 115.26 116.95 3fwc n ASN 36 Ca 0.06 -3.19 0.03 0.00 -0.03 0.00 0.00 54.58 51.45 3fwc n ASN 36 Cb 0.54 -0.75 0.16 0.00 -0.61 0.00 0.00 39.78 39.12 3fwc n ASN 36 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3fwc n ASP 37 N -0.65 0.00 -1.16 6.41 5.68 -1.26 -4.75 116.55 120.82 3fwc n ASP 37 Ca 0.44 0.09 -0.08 0.00 -0.50 0.00 0.00 54.79 54.74 3fwc n ASP 37 Cb 1.37 -0.20 0.01 0.00 -1.14 0.00 0.00 41.12 41.16 3fwc n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fwc n GLY 38 N -0.74 0.25 3.04 6.12 0.00 -1.26 -5.04 105.19 107.55 3fwc n GLY 38 Ca 0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.71 0.09 0.05 1.61 0.40 -1.26 -3.41 117.98 112.75 3fwc s PHE 39 Ca 0.09 -0.19 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 3fwc s PHE 39 Cb -0.04 -0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.38 3fwc s PHE 39 CO 0.12 -0.21 -0.22 -0.51 0.70 0.00 0.00 175.22 175.10 3fwc s LEU 40 N -1.13 2.43 0.00 -0.37 1.43 -0.68 -4.74 118.68 115.62 3fwc s LEU 40 Ca -0.12 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3fwc s LEU 40 Cb -0.07 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.77 3fwc s LEU 40 CO 0.00 0.25 0.22 -0.90 0.23 0.00 0.00 176.35 176.15 3fwc n ASP 41 N 1.54 0.37 -0.19 2.29 5.68 -1.26 -1.67 116.55 123.31 3fwc n ASP 41 Ca -0.17 -1.29 -0.04 0.00 -0.50 0.00 0.00 54.79 52.80 3fwc n ASP 41 Cb 0.52 -0.13 0.06 0.00 -1.14 0.00 0.00 41.12 40.43 3fwc n ASP 41 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 3fwc h TYR 42 N -0.30 0.57 -0.23 2.11 3.20 -2.00 -0.86 116.97 119.47 3fwc h TYR 42 Ca -0.07 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.64 3fwc h TYR 42 Cb 0.28 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3fwc h TYR 42 CO 0.00 0.29 -0.59 0.45 -1.64 0.00 0.00 178.16 176.67 3fwc h HIS 43 N 0.60 0.96 -0.64 -3.82 3.86 -1.99 -2.37 115.15 111.75 3fwc h HIS 43 Ca 0.25 -0.36 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 3fwc h HIS 43 Cb 0.12 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3fwc h HIS 43 CO -0.09 1.16 0.09 0.93 0.86 0.00 0.00 177.93 180.88 3fwc h GLU 44 N 0.57 1.06 -0.50 2.45 5.08 -1.83 -2.93 114.58 118.48 3fwc h GLU 44 Ca 0.00 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 3fwc h GLU 44 Cb 1.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3fwc h GLU 44 CO 0.12 0.98 -0.07 1.25 -1.00 0.00 0.00 179.01 180.29 3fwc h LEU 45 N 0.99 0.92 0.29 1.33 5.85 -1.10 -0.31 115.31 123.28 3fwc h LEU 45 Ca 0.19 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3fwc h LEU 45 Cb 0.44 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3fwc h LEU 45 CO 0.01 1.04 -0.31 0.50 -0.34 0.00 0.00 178.44 179.35 3fwc h LYS 46 N 0.78 -0.62 -0.11 1.25 3.64 -1.30 -1.49 116.57 118.73 3fwc h LYS 46 Ca 0.13 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3fwc h LYS 46 Cb 0.61 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3fwc h LYS 46 CO 0.04 -0.41 -0.40 -0.39 -2.27 0.00 0.00 179.45 176.01 3fwc h VAL 47 N -0.64 1.31 -0.41 2.00 -1.51 -1.53 -2.09 116.25 113.39 3fwc h VAL 47 Ca -0.01 -1.50 -0.02 0.00 -1.23 0.00 0.00 66.70 63.94 3fwc h VAL 47 Cb 0.59 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 3fwc h VAL 47 CO -0.07 0.45 0.18 0.00 -1.23 0.00 0.00 177.57 176.89 3fwc h ALA 48 N 1.39 1.55 -0.00 5.19 0.00 -0.79 0.24 119.26 126.84 3fwc h ALA 48 Ca 0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3fwc h ALA 48 Cb 0.80 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3fwc h ALA 48 CO 0.06 0.36 -0.67 0.52 0.00 0.00 0.00 179.25 179.52 3fwc h MET 49 N 0.57 0.46 -0.99 0.00 2.86 -1.08 -2.98 114.93 113.77 3fwc h MET 49 Ca 0.14 -0.49 0.11 0.00 -2.06 0.00 0.00 59.70 57.40 3fwc h MET 49 Cb 0.10 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.82 3fwc h MET 49 CO -0.02 1.14 0.63 -0.22 1.06 0.00 0.00 176.91 179.50 3fwc h LYS 50 N -0.02 0.99 -0.94 1.72 3.64 -1.02 0.18 116.57 121.12 3fwc h LYS 50 Ca -0.08 -0.06 0.17 0.00 -1.27 0.00 0.00 60.65 59.41 3fwc h LYS 50 Cb 1.37 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.87 3fwc h LYS 50 CO 0.13 0.65 0.54 0.00 -2.27 0.00 0.00 179.45 178.50 3fwc h ALA 51 N 1.52 1.50 0.00 5.00 0.00 -0.40 0.10 119.26 126.98 3fwc h ALA 51 Ca 0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3fwc h ALA 51 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fwc h ALA 51 CO -0.23 -0.06 -0.10 -0.07 0.00 0.00 0.00 179.25 178.79 3fwc h LEU 52 N 0.71 0.00 0.00 0.00 3.38 -0.61 -3.47 115.31 115.32 3fwc h LEU 52 Ca 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3fwc h LEU 52 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3fwc h LEU 52 CO -0.37 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.78 3fwc n GLY 53 N 1.25 1.82 3.02 0.83 0.00 0.35 -5.11 105.19 107.36 3fwc n GLY 53 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.21 -0.32 1.61 0.08 -0.60 -4.95 117.98 114.02 3fwc s PHE 54 Ca 0.00 -1.26 -0.11 0.00 0.12 0.00 0.00 56.93 55.68 3fwc s PHE 54 Cb 0.00 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 3fwc s PHE 54 CO 0.00 -0.68 0.18 -1.21 -0.10 0.00 0.00 175.22 173.41 3fwc s GLU 55 N 1.47 3.44 0.20 0.44 8.01 -1.26 -2.67 118.70 128.33 3fwc s GLU 55 Ca 0.05 -0.66 0.09 0.00 0.01 0.00 0.00 54.97 54.46 3fwc s GLU 55 Cb -0.13 -3.65 -0.04 0.00 -4.31 0.00 0.00 34.13 26.00 3fwc s GLU 55 CO -0.11 -0.40 -0.11 -0.51 0.01 0.00 0.00 175.26 174.14 3fwc s LEU 56 N 1.66 2.92 0.38 1.80 1.43 -1.26 -5.11 118.68 120.49 3fwc s LEU 56 Ca 0.05 -0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 52.26 3fwc s LEU 56 Cb -0.17 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 3fwc s LEU 56 CO 0.08 0.09 1.14 -2.84 0.23 0.00 0.00 176.35 175.05 3fwc s PRO 57 N -2.94 4.18 0.32 1.29 0.02 -1.26 -4.88 135.00 131.73 3fwc s PRO 57 Ca 0.25 1.78 0.07 0.00 0.02 0.00 0.00 61.00 63.12 3fwc s PRO 57 Cb -0.08 -2.74 0.89 0.00 0.02 0.00 0.00 34.50 32.59 3fwc s PRO 57 CO 0.15 -0.20 1.60 0.87 -0.33 0.00 0.00 177.00 179.09 3fwc h LYS 58 N 2.82 0.08 -0.27 5.54 1.57 -2.00 -0.87 116.57 123.43 3fwc h LYS 58 Ca -0.48 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3fwc h LYS 58 Cb 1.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3fwc h LYS 58 CO 0.63 0.05 0.10 0.00 -0.57 0.00 0.00 179.45 179.67 3fwc h ARG 59 N 0.08 0.41 -0.34 3.15 3.08 -1.99 -1.92 114.38 116.86 3fwc h ARG 59 Ca 0.65 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.57 3fwc h ARG 59 Cb 1.45 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 3fwc h ARG 59 CO -0.79 0.45 0.02 0.93 -1.07 0.00 0.00 179.97 179.50 3fwc h GLU 60 N 0.29 0.58 -0.45 0.04 5.08 -1.55 0.08 114.58 118.65 3fwc h GLU 60 Ca 0.09 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3fwc h GLU 60 Cb 0.19 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 3fwc h GLU 60 CO -0.01 0.69 0.12 0.82 -1.00 0.00 0.00 179.01 179.63 3fwc h ILE 61 N 0.39 0.80 -0.34 3.13 2.04 -1.42 0.31 117.51 122.42 3fwc h ILE 61 Ca 0.10 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3fwc h ILE 61 Cb 0.41 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3fwc h ILE 61 CO 0.01 0.05 -0.01 -0.07 0.00 0.00 0.00 178.15 178.13 3fwc h LEU 62 N 0.27 0.50 -0.90 1.44 3.38 -1.09 -1.73 115.31 117.18 3fwc h LEU 62 Ca 0.22 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3fwc h LEU 62 Cb 0.25 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3fwc h LEU 62 CO -0.26 0.58 0.23 0.44 0.09 0.00 0.00 178.44 179.52 3fwc h ASP 63 N 0.51 0.96 -0.44 -0.43 3.32 0.31 -1.35 116.42 119.30 3fwc h ASP 63 Ca 0.11 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 3fwc h ASP 63 Cb 0.35 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3fwc h ASP 63 CO 0.01 0.89 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.33 3fwc h LEU 64 N 1.00 0.77 0.37 1.55 3.38 -0.18 -0.53 115.31 121.68 3fwc h LEU 64 Ca 0.22 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3fwc h LEU 64 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fwc h LEU 64 CO -0.01 0.91 -0.18 0.40 0.09 0.00 0.00 178.44 179.65 3fwc h ILE 65 N 0.62 0.64 -0.54 1.22 2.04 -1.13 -2.42 117.51 117.94 3fwc h ILE 65 Ca 0.12 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3fwc h ILE 65 Cb 0.52 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3fwc h ILE 65 CO 0.03 0.02 0.37 0.44 0.00 0.00 0.00 178.15 179.01 3fwc h ASP 66 N -0.57 0.31 -0.02 1.72 3.32 -1.09 -0.54 116.42 119.56 3fwc h ASP 66 Ca -0.05 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 3fwc h ASP 66 Cb 0.42 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3fwc h ASP 66 CO 0.08 0.19 -0.53 -0.08 -1.72 0.00 0.00 179.24 177.18 3fwc h GLU 67 N 0.35 0.59 0.00 3.56 4.81 -0.63 -3.27 114.58 119.99 3fwc h GLU 67 Ca 0.25 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3fwc h GLU 67 Cb 0.52 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3fwc h GLU 67 CO -0.06 0.97 -1.39 0.66 -0.73 0.00 0.00 179.01 178.46 3fwc n TYR 68 N -3.97 0.00 -2.63 0.92 4.02 -0.81 -4.82 117.16 109.87 3fwc n TYR 68 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.43 3fwc n TYR 68 Cb 0.60 -0.20 -0.01 0.00 -0.02 0.00 0.00 39.34 39.71 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 -3.59 6.79 0.17 7.72 2.15 -0.27 -4.84 116.67 124.80 3fwc s ASP 69 Ca 0.02 -2.31 -0.14 0.00 0.43 0.00 0.00 52.55 50.55 3fwc s ASP 69 Cb 0.15 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 40.35 3fwc s ASP 69 CO 0.89 -1.18 1.75 0.28 -0.17 0.00 0.00 175.17 176.73 3fwc h SER 70 N 8.00 0.15 -3.60 -0.34 0.02 -1.87 -3.42 113.55 112.48 3fwc h SER 70 Ca 0.38 0.05 -0.46 0.00 -0.84 0.00 0.00 61.79 60.92 3fwc h SER 70 Cb 0.90 0.04 0.12 0.00 0.14 0.00 0.00 62.40 63.60 3fwc h SER 70 CO 1.42 0.12 0.30 -1.61 -1.14 0.00 0.00 176.83 175.92 3fwc s GLU 71 N -6.14 1.39 0.00 3.45 8.01 -1.26 -4.95 118.70 119.19 3fwc s GLU 71 Ca -0.13 -0.48 0.24 0.00 0.01 0.00 0.00 54.97 54.61 3fwc s GLU 71 Cb 0.14 -2.04 1.43 0.00 -4.31 0.00 0.00 34.13 29.34 3fwc s GLU 71 CO 0.72 -1.83 1.91 0.41 0.01 0.00 0.00 175.26 176.48 3fwc n GLY 72 N -3.31 -0.98 0.54 -1.39 0.00 -1.26 -4.33 105.19 94.46 3fwc n GLY 72 Ca 0.13 -0.15 0.40 0.00 0.00 0.00 0.00 46.02 46.40 3fwc n GLY 72 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fwc h ARG 73 N 0.00 0.06 -3.28 1.61 2.47 -1.92 -3.44 114.38 109.88 3fwc h ARG 73 Ca 0.00 -0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.37 3fwc h ARG 73 Cb 0.00 -0.01 0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3fwc h ARG 73 CO 0.00 0.04 -0.49 0.72 0.56 0.00 0.00 179.97 180.80 3fwc n HIS 74 N -4.44 -1.31 -4.35 3.04 8.25 -1.26 -5.02 115.22 110.13 3fwc n HIS 74 Ca 0.37 0.25 -0.18 0.00 -0.26 0.00 0.00 57.72 57.90 3fwc n HIS 74 Cb 1.54 -3.79 -0.10 0.00 1.12 0.00 0.00 29.99 28.76 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 -5.47 2.22 -0.10 2.41 1.43 -1.26 -4.58 118.68 113.33 3fwc s LEU 75 Ca 0.14 -1.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.05 3fwc s LEU 75 Cb -0.06 -0.33 -0.00 0.00 0.03 0.00 0.00 46.19 45.83 3fwc s LEU 75 CO 0.18 -0.50 -0.23 -0.32 0.23 0.00 0.00 176.35 175.70 3fwc s MET 76 N -3.85 3.03 0.52 1.70 -2.45 -0.67 -4.58 119.30 113.00 3fwc s MET 76 Ca 0.29 -0.87 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 3fwc s MET 76 Cb 0.06 -2.31 0.00 0.00 1.25 0.00 0.00 34.83 33.83 3fwc s MET 76 CO 0.10 0.20 0.79 -1.59 1.05 0.00 0.00 175.02 175.57 3fwc s LYS 77 N 0.30 3.02 0.19 4.11 -2.85 -1.26 -1.69 119.74 121.56 3fwc s LYS 77 Ca -0.17 -0.22 -0.12 0.00 -1.00 0.00 0.00 55.97 54.46 3fwc s LYS 77 Cb -0.18 -2.41 0.12 0.00 -2.06 0.00 0.00 37.83 33.31 3fwc s LYS 77 CO 0.08 -0.47 1.85 -0.92 0.10 0.00 0.00 175.35 175.99 3fwc h TYR 78 N 0.11 0.76 -0.95 1.78 3.20 -1.97 -1.54 116.97 118.36 3fwc h TYR 78 Ca -0.46 0.02 0.15 0.00 3.14 0.00 0.00 58.73 61.58 3fwc h TYR 78 Cb 1.25 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 39.19 3fwc h TYR 78 CO 0.47 0.46 0.60 -0.44 -1.64 0.00 0.00 178.16 177.61 3fwc h ASP 79 N 0.81 0.76 0.90 -2.11 5.19 -1.95 0.09 116.42 120.10 3fwc h ASP 79 Ca 0.24 0.05 -0.23 0.00 -0.62 0.00 0.00 57.03 56.47 3fwc h ASP 79 Cb -0.05 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 3fwc h ASP 79 CO -0.07 0.36 -1.08 0.44 -3.12 0.00 0.00 179.24 175.78 3fwc h ASP 80 N 0.79 0.11 0.86 6.45 3.32 -1.81 -3.13 116.42 123.01 3fwc h ASP 80 Ca 0.49 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 3fwc h ASP 80 Cb 0.71 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3fwc h ASP 80 CO -0.26 1.09 -0.29 0.15 -1.72 0.00 0.00 179.24 178.22 3fwc h PHE 81 N 0.02 0.00 -0.20 4.55 3.57 -0.40 -2.58 116.94 121.90 3fwc h PHE 81 Ca -0.05 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.25 3fwc h PHE 81 Cb 1.83 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.57 3fwc h PHE 81 CO 0.02 0.29 -0.67 -0.92 -2.23 0.00 0.00 178.31 174.79 3fwc h TYR 82 N 0.00 1.06 0.49 0.41 3.20 -0.98 -2.41 116.97 118.73 3fwc h TYR 82 Ca -0.00 -0.43 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 3fwc h TYR 82 Cb 0.79 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3fwc h TYR 82 CO 0.00 1.26 -0.23 0.82 -1.64 0.00 0.00 178.16 178.37 3fwc h ILE 83 N 0.55 0.46 -0.89 1.81 2.04 -1.43 -0.15 117.51 119.90 3fwc h ILE 83 Ca -0.03 -0.32 0.15 0.00 1.00 0.00 0.00 64.86 65.66 3fwc h ILE 83 Cb 1.29 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 37.88 3fwc h ILE 83 CO 0.14 0.05 0.49 0.58 0.00 0.00 0.00 178.15 179.41 3fwc h VAL 84 N -0.86 0.73 0.00 1.67 2.07 -1.54 -1.75 116.25 116.57 3fwc h VAL 84 Ca -0.07 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 3fwc h VAL 84 Cb 0.58 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3fwc h VAL 84 CO 0.11 0.12 -0.88 0.24 0.02 0.00 0.00 177.57 177.19 3fwc h MET 85 N 0.68 0.00 0.30 1.57 2.86 -1.48 -2.87 114.93 115.98 3fwc h MET 85 Ca 0.49 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.12 3fwc h MET 85 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3fwc h MET 85 CO -0.36 0.49 -0.14 0.78 1.06 0.00 0.00 176.91 178.73 3fwc h GLY 86 N 3.51 -0.42 0.20 8.32 0.00 -0.40 0.64 103.07 114.93 3fwc h GLY 86 Ca -0.06 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.47 3fwc h GLY 86 CO 0.07 -0.15 -0.31 0.83 0.00 0.00 0.00 176.54 176.97 3fwc h GLU 87 N -0.57 -0.39 0.00 4.80 5.08 -1.43 -1.52 114.58 120.55 3fwc h GLU 87 Ca -0.04 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3fwc h GLU 87 Cb 0.42 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3fwc h GLU 87 CO 0.07 -0.26 -0.03 0.87 -1.00 0.00 0.00 179.01 178.66 3fwc h LYS 88 N -0.40 0.00 0.06 2.33 1.57 -1.38 -2.31 116.57 116.44 3fwc h LYS 88 Ca 0.09 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 3fwc h LYS 88 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3fwc h LYS 88 CO -0.33 0.03 -1.21 0.82 -0.57 0.00 0.00 179.45 178.19 3fwc h ILE 89 N 0.00 1.50 -0.18 1.86 2.04 -0.11 -3.01 117.51 119.62 3fwc h ILE 89 Ca -0.00 -3.16 -0.17 0.00 1.00 0.00 0.00 64.86 62.53 3fwc h ILE 89 Cb 0.05 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3fwc h ILE 89 CO 0.00 0.89 -0.60 -0.07 0.00 0.00 0.00 178.15 178.38 3fwc h LEU 90 N 0.04 0.67 -0.17 1.44 3.38 -0.80 -2.98 115.31 116.89 3fwc h LEU 90 Ca -0.11 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3fwc h LEU 90 Cb 1.90 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.45 3fwc h LEU 90 CO 0.16 1.12 0.00 1.17 0.09 0.00 0.00 178.44 180.97 3fwc n LYS 91 N -3.94 0.17 -1.96 1.13 4.81 -0.92 -4.83 118.16 112.63 3fwc n LYS 91 Ca -0.04 0.22 -0.36 0.00 -0.87 0.00 0.00 58.31 57.26 3fwc n LYS 91 Cb 0.64 -1.73 0.04 0.00 0.02 0.00 0.00 35.03 33.99 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 -3.12 2.98 -0.37 1.64 3.52 -1.13 -4.97 118.95 117.50 3fwc s ARG 92 Ca 0.09 1.92 -0.18 0.00 -0.13 0.00 0.00 55.73 57.43 3fwc s ARG 92 Cb 0.13 -1.99 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 3fwc s ARG 92 CO 0.50 -1.22 0.50 0.34 -0.81 0.00 0.00 175.30 174.61 3fwc s ASP 93 N -1.46 6.29 0.49 -2.12 -1.08 -1.26 -4.96 116.67 112.57 3fwc s ASP 93 Ca 0.77 -0.17 0.24 0.00 -0.52 0.00 0.00 52.55 52.86 3fwc s ASP 93 Cb -0.33 -2.26 1.29 0.00 -1.46 0.00 0.00 42.92 40.16 3fwc s ASP 93 CO 0.36 -0.52 1.92 -0.65 0.52 0.00 0.00 175.17 176.80 3fwc h PRO 94 N 8.55 0.17 -0.56 4.34 0.11 -1.95 0.37 132.00 143.02 3fwc h PRO 94 Ca -0.28 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 3fwc h PRO 94 Cb 1.12 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3fwc h PRO 94 CO 0.78 0.11 0.02 1.25 -0.21 0.00 0.00 178.00 179.96 3fwc h LEU 95 N 0.17 0.95 -0.85 2.35 5.85 -2.00 -2.73 115.31 119.05 3fwc h LEU 95 Ca 0.38 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3fwc h LEU 95 Cb 1.23 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3fwc h LEU 95 CO -0.07 1.01 0.26 0.44 -0.34 0.00 0.00 178.44 179.74 3fwc h ASP 96 N 0.85 1.03 -0.09 1.25 3.45 -1.34 -1.19 116.42 120.39 3fwc h ASP 96 Ca 0.16 -0.17 0.01 0.00 0.43 0.00 0.00 57.03 57.46 3fwc h ASP 96 Cb 0.51 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 3fwc h ASP 96 CO 0.02 0.94 0.03 -0.33 -1.57 0.00 0.00 179.24 178.33 3fwc h GLU 97 N 1.08 0.07 0.15 3.56 4.39 -1.43 -1.19 114.58 121.21 3fwc h GLU 97 Ca 0.24 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.96 3fwc h GLU 97 Cb 0.25 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3fwc h GLU 97 CO -0.01 0.05 -0.34 0.82 -1.16 0.00 0.00 179.01 178.36 3fwc h ILE 98 N 0.07 0.28 -0.54 3.13 2.04 -1.17 0.61 117.51 121.93 3fwc h ILE 98 Ca 0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.01 3fwc h ILE 98 Cb 0.02 0.28 -0.11 0.00 -0.74 0.00 0.00 36.82 36.28 3fwc h ILE 98 CO -0.04 0.00 -0.21 0.11 0.00 0.00 0.00 178.15 178.01 3fwc h LYS 99 N -0.58 -0.08 -0.94 2.37 1.57 -1.03 -0.21 116.57 117.67 3fwc h LYS 99 Ca 0.02 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3fwc h LYS 99 Cb 0.60 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 3fwc h LYS 99 CO -0.18 -0.05 0.61 -0.09 -0.57 0.00 0.00 179.45 179.17 3fwc h ARG 100 N -0.08 1.16 -0.54 3.15 2.43 -0.73 -1.34 114.38 118.43 3fwc h ARG 100 Ca 0.25 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3fwc h ARG 100 Cb 0.47 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3fwc h ARG 100 CO -0.59 0.77 0.21 0.00 -1.51 0.00 0.00 179.97 178.84 3fwc h ALA 101 N 1.38 1.36 -0.58 2.80 0.00 0.68 -2.52 119.26 122.38 3fwc h ALA 101 Ca 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3fwc h ALA 101 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3fwc h ALA 101 CO -0.12 0.48 0.21 0.35 0.00 0.00 0.00 179.25 180.18 3fwc h PHE 102 N 0.77 0.86 -0.26 0.00 3.57 0.06 -2.06 116.94 119.88 3fwc h PHE 102 Ca 0.18 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3fwc h PHE 102 Cb 0.16 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3fwc h PHE 102 CO 0.01 0.67 0.13 1.96 -2.23 0.00 0.00 178.31 178.85 3fwc h GLN 103 N 0.83 0.27 -0.50 1.11 7.50 -1.15 -0.47 115.11 122.70 3fwc h GLN 103 Ca 0.20 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.31 3fwc h GLN 103 Cb 0.19 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 3fwc h GLN 103 CO -0.02 0.18 0.25 -0.07 -1.50 0.00 0.00 178.83 177.67 3fwc h LEU 104 N 0.28 0.62 -0.23 1.46 3.38 -1.28 -2.34 115.31 117.19 3fwc h LEU 104 Ca 0.11 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3fwc h LEU 104 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3fwc h LEU 104 CO -0.07 0.53 -0.27 -0.26 0.09 0.00 0.00 178.44 178.45 3fwc h PHE 105 N 0.70 0.73 -2.49 1.13 -1.00 -1.02 -3.32 116.94 111.67 3fwc h PHE 105 Ca 0.18 -0.23 -0.79 0.00 2.81 0.00 0.00 57.97 59.94 3fwc h PHE 105 Cb 0.07 -0.15 -0.23 0.00 3.61 0.00 0.00 35.95 39.24 3fwc h PHE 105 CO 0.01 0.95 1.15 -3.47 -1.61 0.00 0.00 178.31 175.33 3fwc n ASP 106 N -4.33 5.82 0.25 2.17 2.03 -0.22 -4.73 116.55 117.54 3fwc n ASP 106 Ca -0.05 -3.24 0.12 0.00 0.52 0.00 0.00 54.79 52.14 3fwc n ASP 106 Cb 0.46 -1.37 0.62 0.00 -0.72 0.00 0.00 41.12 40.11 3fwc n ASP 106 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 3fwc h ASP 107 N 5.83 0.00 -0.20 1.67 2.03 -1.65 -2.73 116.42 121.37 3fwc h ASP 107 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 3fwc h ASP 107 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 3fwc h ASP 107 CO 1.37 0.16 0.00 -0.90 -1.03 0.00 0.00 179.24 178.84 3fwc n ASP 108 N -3.48 1.08 -1.51 4.15 5.75 -1.26 -4.91 116.55 116.36 3fwc n ASP 108 Ca -0.01 -1.99 -0.05 0.00 -0.01 0.00 0.00 54.79 52.73 3fwc n ASP 108 Cb 0.32 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 3fwc n ASP 108 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3fwc n HIS 109 N 0.09 -1.01 1.16 2.11 8.25 -1.03 -4.74 115.22 120.05 3fwc n HIS 109 Ca 0.07 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 3fwc n HIS 109 Cb 0.17 -1.68 0.37 0.00 1.12 0.00 0.00 29.99 29.98 3fwc n HIS 109 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fwc n THR 110 N -1.77 0.00 -0.48 1.59 -2.24 -1.26 -4.79 114.28 105.33 3fwc n THR 110 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3fwc n THR 110 Cb 0.28 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 3fwc n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fwc n GLY 111 N 0.14 0.64 2.99 3.38 0.00 -1.26 -4.93 105.19 106.14 3fwc n GLY 111 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.42 0.88 -0.56 1.61 1.02 -1.26 -3.63 119.74 117.38 3fwc s LYS 112 Ca 0.00 -0.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 3fwc s LYS 112 Cb 0.00 -0.83 0.03 0.00 -0.52 0.00 0.00 37.83 36.51 3fwc s LYS 112 CO 0.00 0.10 1.07 0.42 -0.92 0.00 0.00 175.35 176.02 3fwc s ILE 113 N 0.19 4.21 0.97 2.17 1.01 0.65 -4.84 121.20 125.55 3fwc s ILE 113 Ca -0.03 0.62 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 3fwc s ILE 113 Cb -0.08 -4.63 0.22 0.00 0.01 0.00 0.00 42.46 37.98 3fwc s ILE 113 CO 0.00 -1.21 1.32 -0.94 0.00 0.00 0.00 174.94 174.11 3fwc s SER 114 N 2.87 2.95 0.23 3.58 1.04 -1.26 -2.27 113.70 120.84 3fwc s SER 114 Ca 0.37 0.09 0.12 0.00 0.48 0.00 0.00 55.95 57.01 3fwc s SER 114 Cb -0.10 -0.07 0.10 0.00 0.10 0.00 0.00 66.02 66.05 3fwc s SER 114 CO 0.23 -2.82 1.45 0.40 0.98 0.00 0.00 173.24 173.48 3fwc h ILE 115 N -1.65 1.31 -0.24 -1.02 2.04 -1.96 -1.94 117.51 114.04 3fwc h ILE 115 Ca -0.43 -2.58 -0.14 0.00 1.00 0.00 0.00 64.86 62.71 3fwc h ILE 115 Cb 1.22 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.76 3fwc h ILE 115 CO 0.32 0.69 -0.43 0.11 0.00 0.00 0.00 178.15 178.84 3fwc h LYS 116 N 0.00 0.60 -0.36 2.37 1.57 -1.98 0.26 116.57 119.03 3fwc h LYS 116 Ca -0.01 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3fwc h LYS 116 Cb 1.41 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.72 3fwc h LYS 116 CO 0.09 0.92 0.21 -0.91 -0.57 0.00 0.00 179.45 179.18 3fwc h ASN 117 N 0.49 0.44 -0.00 0.86 -0.26 -1.83 -2.59 115.58 112.70 3fwc h ASN 117 Ca 0.04 -0.07 -0.15 0.00 -0.56 0.00 0.00 56.30 55.55 3fwc h ASN 117 Cb 0.95 -0.11 0.01 0.00 -1.06 0.00 0.00 38.32 38.11 3fwc h ASN 117 CO 0.09 0.38 -0.60 0.25 -1.06 0.00 0.00 177.43 176.49 3fwc h LEU 118 N 0.46 0.53 -1.75 1.61 5.85 -1.22 -3.01 115.31 117.77 3fwc h LEU 118 Ca 0.13 -0.76 0.10 0.00 0.84 0.00 0.00 57.88 58.18 3fwc h LEU 118 Cb 0.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3fwc h LEU 118 CO -0.02 1.22 0.35 -0.09 -0.34 0.00 0.00 178.44 179.56 3fwc h ARG 119 N -0.11 0.28 0.27 1.25 2.43 -1.00 -1.28 114.38 116.22 3fwc h ARG 119 Ca -0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3fwc h ARG 119 Cb 1.31 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3fwc h ARG 119 CO 0.12 0.18 -0.13 -0.09 -1.51 0.00 0.00 179.97 178.54 3fwc h ARG 120 N 0.28 -0.35 -0.32 0.20 2.43 -1.44 -2.91 114.38 112.27 3fwc h ARG 120 Ca 0.24 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 3fwc h ARG 120 Cb 0.56 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3fwc h ARG 120 CO -0.05 0.00 0.26 0.28 -1.51 0.00 0.00 179.97 178.95 3fwc h VAL 121 N -0.83 0.68 0.42 0.20 2.07 -1.31 -0.63 116.25 116.84 3fwc h VAL 121 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3fwc h VAL 121 Cb 0.51 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3fwc h VAL 121 CO 0.06 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.39 3fwc h ALA 122 N 1.78 -0.66 0.04 1.67 0.00 -1.15 -2.52 119.26 118.43 3fwc h ALA 122 Ca 0.15 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fwc h ALA 122 Cb 0.67 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3fwc h ALA 122 CO -0.00 -0.88 -0.48 0.87 0.00 0.00 0.00 179.25 178.76 3fwc h LYS 123 N -0.66 -0.63 -0.86 0.00 1.79 -0.93 0.12 116.57 115.41 3fwc h LYS 123 Ca -0.05 0.04 0.22 0.00 -2.18 0.00 0.00 60.65 58.69 3fwc h LYS 123 Cb 0.54 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.29 3fwc h LYS 123 CO 0.04 -0.42 0.59 0.93 -1.08 0.00 0.00 179.45 179.51 3fwc h GLU 124 N -0.65 0.21 -0.04 3.15 5.08 -1.39 0.58 114.58 121.51 3fwc h GLU 124 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3fwc h GLU 124 Cb 0.70 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3fwc h GLU 124 CO -0.32 0.14 0.00 1.28 -1.00 0.00 0.00 179.01 179.11 3fwc n LEU 125 N -4.41 1.33 -2.68 1.33 4.77 -0.95 -4.91 117.00 111.49 3fwc n LEU 125 Ca 0.18 -0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 55.53 3fwc n LEU 125 Cb 0.78 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.91 3fwc n LEU 125 CO 0.34 0.24 0.16 0.61 -1.33 0.00 0.00 177.39 177.41 3fwc n GLY 126 N 1.14 -0.10 3.77 -0.72 0.00 0.20 -4.99 105.19 104.49 3fwc n GLY 126 Ca 0.19 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3fwc n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwc s GLU 127 N -5.77 4.19 -1.02 1.61 0.41 -0.01 -5.03 118.70 113.08 3fwc s GLU 127 Ca 0.35 0.48 -0.05 0.00 -0.41 0.00 0.00 54.97 55.35 3fwc s GLU 127 Cb -0.15 -3.34 0.27 0.00 -1.78 0.00 0.00 34.13 29.13 3fwc s GLU 127 CO 0.51 0.40 1.10 2.41 -0.49 0.00 0.00 175.26 179.20 3fwc n THR 128 N 2.78 4.21 -4.88 3.63 -1.04 -1.26 -4.61 114.28 113.11 3fwc n THR 128 Ca -0.10 -5.45 -0.30 0.00 -2.04 0.00 0.00 64.05 56.16 3fwc n THR 128 Cb 0.52 -2.36 -0.15 0.00 -1.82 0.00 0.00 70.33 66.52 3fwc n THR 128 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3fwc s LEU 129 N -1.82 2.17 0.75 -4.42 1.43 -1.26 -5.13 118.68 110.40 3fwc s LEU 129 Ca 0.31 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3fwc s LEU 129 Cb -0.03 -1.26 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3fwc s LEU 129 CO -0.04 0.25 1.08 0.42 0.23 0.00 0.00 176.35 178.29 3fwc s THR 130 N -0.81 3.54 -1.78 5.49 -4.23 -1.26 -4.89 115.64 111.71 3fwc s THR 130 Ca 0.11 0.50 0.16 0.00 -1.18 0.00 0.00 61.69 61.29 3fwc s THR 130 Cb -0.10 -3.20 0.40 0.00 1.34 0.00 0.00 72.50 70.94 3fwc s THR 130 CO 0.02 -0.65 1.43 -0.67 -0.54 0.00 0.00 174.62 174.20 3fwc n ASP 131 N -3.32 0.00 -0.08 3.99 2.03 -1.26 -2.18 116.55 115.73 3fwc n ASP 131 Ca 0.07 -0.30 -0.08 0.00 0.52 0.00 0.00 54.79 55.00 3fwc n ASP 131 Cb 0.54 -0.11 -0.11 0.00 -0.72 0.00 0.00 41.12 40.72 3fwc n ASP 131 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fwc n GLU 132 N -1.11 1.37 -0.01 -0.67 -0.58 -1.26 -3.56 120.64 114.82 3fwc n GLU 132 Ca 0.11 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3fwc n GLU 132 Cb 0.08 -1.38 0.13 0.00 -0.57 0.00 0.00 31.44 29.70 3fwc n GLU 132 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3fwc h GLU 133 N 0.00 0.55 -0.06 3.49 5.08 -1.84 -1.35 114.58 120.46 3fwc h GLU 133 Ca -0.41 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 3fwc h GLU 133 Cb 1.87 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 3fwc h GLU 133 CO 0.01 0.83 0.01 -0.07 -1.00 0.00 0.00 179.01 178.79 3fwc h LEU 134 N 0.47 0.08 -2.29 1.33 3.38 -1.64 -0.93 115.31 115.71 3fwc h LEU 134 Ca 0.05 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3fwc h LEU 134 Cb 0.83 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3fwc h LEU 134 CO 0.07 0.28 0.23 -0.09 0.09 0.00 0.00 178.44 179.02 3fwc h ARG 135 N -0.12 0.00 0.20 1.13 2.43 -1.55 -1.37 114.38 115.09 3fwc h ARG 135 Ca 0.02 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.85 3fwc h ARG 135 Cb 0.23 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3fwc h ARG 135 CO -0.00 0.00 -1.65 0.00 -1.51 0.00 0.00 179.97 176.81 3fwc h ALA 136 N 1.65 0.08 -0.82 2.80 0.00 -0.55 -2.97 119.26 119.45 3fwc h ALA 136 Ca 0.05 -1.07 0.08 0.00 0.00 0.00 0.00 54.91 53.97 3fwc h ALA 136 Cb 0.50 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3fwc h ALA 136 CO -0.00 0.92 0.48 0.52 0.00 0.00 0.00 179.25 181.17 3fwc h MET 137 N 0.07 0.82 -0.15 0.00 2.86 -0.07 -1.76 114.93 116.70 3fwc h MET 137 Ca -0.32 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.07 3fwc h MET 137 Cb 2.08 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.56 3fwc h MET 137 CO 0.19 0.54 -0.71 0.82 1.06 0.00 0.00 176.91 178.81 3fwc h ILE 138 N 0.84 1.31 0.02 -1.22 2.04 -1.56 -3.28 117.51 115.66 3fwc h ILE 138 Ca 0.38 -1.98 -0.20 0.00 1.00 0.00 0.00 64.86 64.05 3fwc h ILE 138 Cb 0.28 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3fwc h ILE 138 CO -0.21 0.62 -0.92 -0.08 0.00 0.00 0.00 178.15 177.55 3fwc h GLU 139 N 0.45 0.14 -0.17 2.37 4.22 -1.30 -1.80 114.58 118.50 3fwc h GLU 139 Ca -0.03 -0.17 0.05 0.00 0.08 0.00 0.00 59.36 59.29 3fwc h GLU 139 Cb 1.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3fwc h GLU 139 CO 0.14 0.96 0.16 1.49 -2.18 0.00 0.00 179.01 179.58 3fwc h GLU 140 N 0.07 0.00 0.00 1.92 4.81 -1.39 -2.24 114.58 117.75 3fwc h GLU 140 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3fwc h GLU 140 Cb 1.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.96 3fwc h GLU 140 CO 0.13 0.00 -0.01 1.19 -0.73 0.00 0.00 179.01 179.59 3fwc n PHE 141 N -3.95 0.00 -1.85 0.92 3.01 -1.20 -4.88 117.46 109.51 3fwc n PHE 141 Ca 0.01 -0.45 -0.41 0.00 1.01 0.00 0.00 57.45 57.61 3fwc n PHE 141 Cb 0.29 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 3fwc n PHE 141 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3fwc n ASP 142 N -0.49 6.35 -0.04 4.37 2.03 -0.68 -4.63 116.55 123.46 3fwc n ASP 142 Ca 0.01 -2.92 0.08 0.00 0.52 0.00 0.00 54.79 52.48 3fwc n ASP 142 Cb 0.33 -1.52 0.46 0.00 -0.72 0.00 0.00 41.12 39.67 3fwc n ASP 142 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3fwc h LEU 143 N 7.68 0.43 -1.68 -2.67 3.38 -1.89 -2.62 115.31 117.94 3fwc h LEU 143 Ca 0.63 -0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.81 3fwc h LEU 143 Cb 0.47 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3fwc h LEU 143 CO 1.70 0.29 0.59 -0.78 0.09 0.00 0.00 178.44 180.33 3fwc h ASP 144 N 0.49 0.27 -4.68 -0.43 3.58 -1.86 -3.46 116.42 110.34 3fwc h ASP 144 Ca 0.21 0.03 -0.30 0.00 0.42 0.00 0.00 57.03 57.39 3fwc h ASP 144 Cb 0.22 -0.02 0.11 0.00 1.72 0.00 0.00 39.33 41.35 3fwc h ASP 144 CO -0.06 0.11 -0.52 0.61 -2.88 0.00 0.00 179.24 176.51 3fwc n GLY 145 N -1.58 -0.18 0.43 -0.78 0.00 -0.99 -4.92 105.19 97.17 3fwc n GLY 145 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3fwc n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fwc n ASP 146 N -1.96 0.10 -0.43 1.61 5.75 -1.26 -5.00 116.55 115.36 3fwc n ASP 146 Ca -0.00 -1.94 -0.06 0.00 -0.01 0.00 0.00 54.79 52.78 3fwc n ASP 146 Cb 0.55 -0.19 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 3fwc n ASP 146 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fwc n GLY 147 N -0.06 0.69 3.13 6.12 0.00 -1.26 -4.96 105.19 108.85 3fwc n GLY 147 Ca 0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3fwc n GLY 147 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwc s GLU 148 N -2.07 0.69 -0.27 1.61 2.02 -1.26 -4.59 118.70 114.83 3fwc s GLU 148 Ca 0.00 -1.16 -0.01 0.00 0.02 0.00 0.00 54.97 53.82 3fwc s GLU 148 Cb 0.00 0.25 0.04 0.00 0.10 0.00 0.00 34.13 34.52 3fwc s GLU 148 CO 0.00 -0.16 -0.05 0.42 0.02 0.00 0.00 175.26 175.49 3fwc s ILE 149 N -3.91 2.80 0.95 -1.63 1.01 -0.96 -4.76 121.20 114.69 3fwc s ILE 149 Ca 0.07 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 3fwc s ILE 149 Cb 0.07 -2.53 0.16 0.00 0.01 0.00 0.00 42.46 40.17 3fwc s ILE 149 CO -0.10 0.04 1.15 0.54 0.00 0.00 0.00 174.94 176.58 3fwc s ASN 150 N 1.26 3.20 0.55 3.58 2.20 -1.26 -0.25 114.94 124.21 3fwc s ASN 150 Ca -0.03 0.87 0.22 0.00 -0.94 0.00 0.00 52.86 52.97 3fwc s ASN 150 Cb -0.18 -1.36 1.50 0.00 -2.00 0.00 0.00 41.25 39.21 3fwc s ASN 150 CO -0.03 -2.74 2.19 -0.08 -2.94 0.00 0.00 177.10 173.50 3fwc h GLU 151 N -1.63 0.00 -0.53 3.55 4.81 -1.99 -2.49 114.58 116.31 3fwc h GLU 151 Ca -0.49 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 3fwc h GLU 151 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3fwc h GLU 151 CO 0.57 0.00 0.13 -0.91 -0.73 0.00 0.00 179.01 178.07 3fwc h ASN 152 N 0.00 0.80 -0.05 1.04 4.21 -1.93 -2.97 115.58 116.68 3fwc h ASN 152 Ca -0.00 -0.23 -0.22 0.00 1.21 0.00 0.00 56.30 57.06 3fwc h ASN 152 Cb 0.01 -0.21 0.02 0.00 -1.12 0.00 0.00 38.32 37.01 3fwc h ASN 152 CO 0.00 0.82 -0.84 -0.33 -1.29 0.00 0.00 177.43 175.79 3fwc h GLU 153 N 0.74 0.66 -0.64 0.81 5.08 -1.81 -3.18 114.58 116.23 3fwc h GLU 153 Ca 0.17 -0.64 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 3fwc h GLU 153 Cb 0.33 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 3fwc h GLU 153 CO 0.00 1.24 0.36 0.35 -1.00 0.00 0.00 179.01 179.96 3fwc h PHE 154 N 0.31 0.66 -0.82 4.33 3.57 -1.54 -2.09 116.94 121.36 3fwc h PHE 154 Ca -0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3fwc h PHE 154 Cb 1.50 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 3fwc h PHE 154 CO 0.11 0.32 0.36 0.82 -2.23 0.00 0.00 178.31 177.69 3fwc h ILE 155 N 0.67 1.26 -0.20 1.41 2.04 -1.57 -1.81 117.51 119.32 3fwc h ILE 155 Ca 0.29 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3fwc h ILE 155 Cb 0.16 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3fwc h ILE 155 CO -0.17 0.33 -0.06 0.00 0.00 0.00 0.00 178.15 178.25 3fwc h ALA 156 N 1.21 1.54 0.00 1.87 0.00 -1.38 0.11 119.26 122.61 3fwc h ALA 156 Ca 0.28 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3fwc h ALA 156 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3fwc h ALA 156 CO -0.03 0.33 -0.58 0.82 0.00 0.00 0.00 179.25 179.79 3fwc h ILE 157 N 0.29 1.41 0.07 0.00 2.04 -0.77 -3.29 117.51 117.27 3fwc h ILE 157 Ca 0.06 -2.00 -0.33 0.00 1.00 0.00 0.00 64.86 63.59 3fwc h ILE 157 Cb 0.29 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3fwc h ILE 157 CO 0.01 0.57 -1.85 0.00 0.00 0.00 0.00 178.15 176.88 3fwc h THR 159 N -0.31 0.49 0.00 0.00 2.02 -0.94 -3.52 112.91 110.65 3fwc h THR 159 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3fwc h THR 159 Cb 1.79 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3fwc h THR 159 CO -0.04 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.18