#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfn n ALA 27 N 0.00 0.00 -1.81 -1.18 0.00 -1.26 -4.87 120.51 111.39 1xfn n ALA 27 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1xfn n ALA 27 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1xfn n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1xfn s PHE 28 N 0.00 3.34 0.04 0.00 -0.12 -1.26 -4.96 117.98 115.02 1xfn s PHE 28 Ca 0.00 1.50 0.01 0.00 -0.05 0.00 0.00 56.93 58.39 1xfn s PHE 28 Cb 0.00 -2.85 -0.04 0.00 -0.63 0.00 0.00 43.02 39.50 1xfn s PHE 28 CO 0.00 -0.45 0.12 0.20 -0.05 0.00 0.00 175.22 175.05 1xfn s GLY 29 N -2.82 2.08 -0.23 1.99 0.00 -1.12 -4.69 107.32 102.53 1xfn s GLY 29 Ca 0.61 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 44.38 1xfn s GLY 29 CO 0.28 -0.85 0.10 0.00 0.00 0.00 0.00 173.10 172.64 1xfn s ALA 30 N -1.36 0.64 0.27 3.20 0.00 -1.26 -0.46 121.76 122.79 1xfn s ALA 30 Ca 0.29 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.56 1xfn s ALA 30 Cb -0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1xfn s ALA 30 CO 0.21 -1.41 0.13 0.42 0.00 0.00 0.00 175.76 175.11 1xfn s ILE 31 N 2.06 3.93 -0.13 0.00 -1.09 0.71 -2.54 121.20 124.14 1xfn s ILE 31 Ca 0.05 -1.59 -0.00 0.00 -2.23 0.00 0.00 60.65 56.88 1xfn s ILE 31 Cb -0.16 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1xfn s ILE 31 CO -0.22 -0.33 -0.08 -1.58 -1.23 0.00 0.00 174.94 171.50 1xfn s GLN 32 N -3.80 1.65 0.20 2.79 0.74 -0.95 -0.31 119.66 119.98 1xfn s GLN 32 Ca 0.33 -0.38 0.10 0.00 0.05 0.00 0.00 55.36 55.46 1xfn s GLN 32 Cb -0.07 -1.80 -0.04 0.00 1.10 0.00 0.00 33.01 32.20 1xfn s GLN 32 CO 0.23 -0.31 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.03 1xfn s LEU 33 N 1.65 2.84 0.41 3.68 1.43 -0.32 -1.05 118.68 127.31 1xfn s LEU 33 Ca 0.04 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1xfn s LEU 33 Cb -0.13 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1xfn s LEU 33 CO -0.09 0.09 0.31 1.51 0.23 0.00 0.00 176.35 178.41 1xfn s ASP 34 N -2.95 4.90 0.66 2.29 1.47 -0.42 0.82 116.67 123.44 1xfn s ASP 34 Ca 0.25 -0.81 0.28 0.00 1.18 0.00 0.00 52.55 53.45 1xfn s ASP 34 Cb -0.08 -0.58 1.49 0.00 -0.34 0.00 0.00 42.92 43.41 1xfn s ASP 34 CO 0.14 -0.59 1.85 1.23 0.68 0.00 0.00 175.17 178.48 1xfn h GLY 35 N 1.17 0.00 0.98 2.12 0.00 -1.91 0.37 103.07 105.79 1xfn h GLY 35 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1xfn h GLY 35 CO 0.61 0.00 -1.02 1.34 0.00 0.00 0.00 176.54 177.47 1xfn n ASP 36 N -2.93 0.83 0.00 0.19 -0.08 -1.26 -4.94 116.55 108.36 1xfn n ASP 36 Ca -0.01 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1xfn n ASP 36 Cb 0.45 0.47 0.00 0.00 2.34 0.00 0.00 41.12 44.39 1xfn n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xfn n GLY 37 N 1.19 1.14 3.78 0.27 0.00 0.13 -5.02 105.19 106.69 1xfn n GLY 37 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xfn n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfn s ASN 38 N -1.68 5.98 0.14 1.61 0.01 -1.25 -0.35 114.94 119.40 1xfn s ASN 38 Ca 0.00 2.10 -0.05 0.00 -0.71 0.00 0.00 52.86 54.20 1xfn s ASN 38 Cb 0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.03 1xfn s ASN 38 CO 0.00 -1.04 0.38 -0.63 -1.51 0.00 0.00 177.10 174.30 1xfn s ILE 39 N -1.82 5.16 -0.02 0.60 1.01 0.12 -1.30 121.20 124.94 1xfn s ILE 39 Ca 0.70 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.36 1xfn s ILE 39 Cb -0.22 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1xfn s ILE 39 CO 0.25 0.06 -0.11 0.18 0.00 0.00 0.00 174.94 175.31 1xfn n LEU 40 N 0.14 1.14 -3.74 2.97 4.32 -0.21 -3.43 117.00 118.20 1xfn n LEU 40 Ca -0.03 0.17 -0.13 0.00 -0.02 0.00 0.00 56.01 56.00 1xfn n LEU 40 Cb 0.52 -0.40 -0.09 0.00 -1.62 0.00 0.00 43.42 41.82 1xfn n LEU 40 CO 0.48 -0.34 0.06 0.00 -1.22 0.00 0.00 177.39 176.37 1xfn s GLN 41 N -2.25 0.56 0.51 3.23 -2.07 -1.26 -4.50 119.66 113.88 1xfn s GLN 41 Ca -0.10 0.25 0.09 0.00 -1.82 0.00 0.00 55.36 53.77 1xfn s GLN 41 Cb 0.02 0.26 0.05 0.00 -1.09 0.00 0.00 33.01 32.26 1xfn s GLN 41 CO 0.15 -0.12 0.67 0.71 -1.32 0.00 0.00 175.29 175.38 1xfn s TYR 42 N -0.44 1.96 0.59 9.60 4.12 -1.06 -2.23 117.35 129.88 1xfn s TYR 42 Ca -0.06 -0.61 0.09 0.00 0.02 0.00 0.00 57.07 56.51 1xfn s TYR 42 Cb -0.04 -2.24 0.09 0.00 -1.52 0.00 0.00 41.96 38.25 1xfn s TYR 42 CO 0.02 -0.81 0.72 1.21 0.02 0.00 0.00 175.55 176.72 1xfn s ASN 43 N -4.50 4.92 -0.03 2.29 3.84 -1.05 -4.73 114.94 115.68 1xfn s ASN 43 Ca 0.57 -1.00 0.07 0.00 0.21 0.00 0.00 52.86 52.70 1xfn s ASN 43 Cb -0.07 0.46 0.24 0.00 -0.55 0.00 0.00 41.25 41.33 1xfn s ASN 43 CO 0.35 -1.36 1.09 0.00 -2.79 0.00 0.00 177.10 174.39 1xfn n ALA 44 N -2.18 2.64 -0.00 1.71 0.00 -1.26 -3.79 120.51 117.62 1xfn n ALA 44 Ca 0.12 -0.50 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1xfn n ALA 44 Cb 0.63 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1xfn n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xfn h ALA 45 N 3.17 0.40 0.49 0.00 0.00 -1.94 -3.04 119.26 118.35 1xfn h ALA 45 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 54.91 53.53 1xfn h ALA 45 Cb 0.56 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xfn h ALA 45 CO 0.06 1.24 -0.25 0.93 0.00 0.00 0.00 179.25 181.23 1xfn h GLU 46 N -0.03 -0.65 -0.07 0.00 3.07 -1.84 -2.17 114.58 112.88 1xfn h GLU 46 Ca -0.41 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.47 1xfn h GLU 46 Cb 1.97 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 30.02 1xfn h GLU 46 CO 0.07 -0.44 -0.05 0.78 -1.40 0.00 0.00 179.01 177.97 1xfn h GLY 47 N -0.68 0.11 1.67 -3.84 0.00 -1.39 -0.82 103.07 98.12 1xfn h GLY 47 Ca -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1xfn h GLY 47 CO 0.10 0.05 0.05 -1.80 0.00 0.00 0.00 176.54 174.94 1xfn h ASP 48 N 0.10 0.38 0.00 0.19 1.82 -1.33 -3.22 116.42 114.36 1xfn h ASP 48 Ca 0.02 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1xfn h ASP 48 Cb 0.17 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.08 1xfn h ASP 48 CO 0.01 0.41 -0.06 0.40 -1.61 0.00 0.00 179.24 178.39 1xfn h ILE 49 N 0.42 0.00 -1.03 2.25 2.04 -0.73 -3.50 117.51 116.96 1xfn h ILE 49 Ca 0.10 -0.72 0.21 0.00 1.00 0.00 0.00 64.86 65.45 1xfn h ILE 49 Cb 0.20 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 35.95 1xfn h ILE 49 CO -0.00 0.00 0.80 0.28 0.00 0.00 0.00 178.15 179.23 1xfn s THR 50 N -1.48 0.00 0.00 -0.27 -1.32 -0.39 -5.12 115.64 107.06 1xfn s THR 50 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1xfn s THR 50 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1xfn s THR 50 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1xfn n GLY 51 N 2.82 0.92 3.06 6.08 0.00 -1.26 -4.54 105.19 112.27 1xfn n GLY 51 Ca -0.16 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 1xfn n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfn n ARG 52 N 0.00 -2.24 -2.73 1.61 3.00 -1.26 -2.60 116.66 112.43 1xfn n ARG 52 Ca 0.00 1.91 -0.41 0.00 -0.01 0.00 0.00 57.85 59.34 1xfn n ARG 52 Cb 0.00 -4.57 -0.05 0.00 0.00 0.00 0.00 32.46 27.84 1xfn n ARG 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1xfn s ASP 53 N -2.27 7.54 0.44 0.55 2.15 -1.26 -2.96 116.67 120.86 1xfn s ASP 53 Ca 0.29 1.84 0.17 0.00 0.43 0.00 0.00 52.55 55.28 1xfn s ASP 53 Cb -0.06 -2.60 1.10 0.00 -0.30 0.00 0.00 42.92 41.07 1xfn s ASP 53 CO 0.80 0.00 1.93 1.55 -0.17 0.00 0.00 175.17 179.29 1xfn h PRO 54 N 5.14 0.34 -0.16 4.34 0.13 -1.85 -1.13 132.00 138.82 1xfn h PRO 54 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xfn h PRO 54 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xfn h PRO 54 CO 0.71 0.23 0.00 1.63 -0.23 0.00 0.00 178.00 180.33 1xfn n LYS 55 N -4.46 2.27 0.00 0.86 5.02 -1.26 -2.57 118.16 118.01 1xfn n LYS 55 Ca 0.13 -1.87 0.12 0.00 -2.02 0.00 0.00 58.31 54.67 1xfn n LYS 55 Cb 0.53 -1.48 0.18 0.00 -0.02 0.00 0.00 35.03 34.25 1xfn n LYS 55 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xfn n GLN 56 N 1.18 0.30 -2.77 1.97 7.27 -0.43 -4.45 117.38 120.45 1xfn n GLN 56 Ca 0.17 -0.20 -0.32 0.00 0.07 0.00 0.00 57.00 56.72 1xfn n GLN 56 Cb 0.55 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.69 1xfn n GLN 56 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1xfn n VAL 57 N -1.18 4.01 -5.14 1.69 0.24 -1.24 -4.97 118.33 111.75 1xfn n VAL 57 Ca 0.07 -5.62 -0.29 0.00 -2.04 0.00 0.00 64.34 56.47 1xfn n VAL 57 Cb 0.35 -1.43 -0.16 0.00 -1.47 0.00 0.00 33.84 31.13 1xfn n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xfn s ILE 58 N -4.54 1.81 0.00 1.34 1.01 -1.26 -3.14 121.20 116.41 1xfn s ILE 58 Ca 0.46 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1xfn s ILE 58 Cb 0.27 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1xfn s ILE 58 CO -0.15 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1xfn n GLY 59 N 2.52 0.35 3.47 6.18 0.00 -1.22 -4.97 105.19 111.52 1xfn n GLY 59 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1xfn n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfn s LYS 60 N -0.67 2.52 -0.39 1.61 1.02 -1.26 -4.95 119.74 117.61 1xfn s LYS 60 Ca 0.00 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 55.02 1xfn s LYS 60 Cb 0.00 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1xfn s LYS 60 CO 0.00 0.61 0.98 1.21 -0.92 0.00 0.00 175.35 177.23 1xfn s ASN 61 N -0.69 6.68 0.25 2.83 3.84 -1.26 0.12 114.94 126.71 1xfn s ASN 61 Ca 0.11 0.57 -0.05 0.00 0.21 0.00 0.00 52.86 53.69 1xfn s ASN 61 Cb -0.11 -2.49 0.48 0.00 -0.55 0.00 0.00 41.25 38.59 1xfn s ASN 61 CO 0.01 -0.95 1.65 0.15 -2.79 0.00 0.00 177.10 175.17 1xfn h PHE 62 N 8.63 0.11 -0.01 0.43 3.04 -0.98 0.91 116.94 129.07 1xfn h PHE 62 Ca -0.23 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.77 1xfn h PHE 62 Cb 1.07 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.65 1xfn h PHE 62 CO 0.86 -0.19 0.00 1.19 -2.02 0.00 0.00 178.31 178.15 1xfn n PHE 63 N -5.27 0.01 0.01 0.41 3.01 -1.26 -2.06 117.46 112.31 1xfn n PHE 63 Ca 0.15 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1xfn n PHE 63 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1xfn n PHE 63 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1xfn n LYS 64 N -0.59 0.00 0.00 -1.08 3.00 -0.11 -4.33 118.16 115.05 1xfn n LYS 64 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1xfn n LYS 64 Cb 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 34.67 1xfn n LYS 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfn n ASP 65 N -2.94 0.00 -1.25 3.14 9.92 0.12 -4.35 116.55 121.20 1xfn n ASP 65 Ca 0.00 0.01 0.06 0.00 -0.53 0.00 0.00 54.79 54.33 1xfn n ASP 65 Cb 0.36 -0.02 0.25 0.00 -0.64 0.00 0.00 41.12 41.08 1xfn n ASP 65 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1xfn n VAL 66 N -0.82 1.42 -2.72 2.53 0.31 -1.25 -4.30 118.33 113.50 1xfn n VAL 66 Ca 0.00 -0.84 -0.07 0.00 -0.01 0.00 0.00 64.34 63.43 1xfn n VAL 66 Cb 0.00 -0.10 0.06 0.00 -0.91 0.00 0.00 33.84 32.88 1xfn n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xfn n ALA 67 N 0.61 -2.20 1.37 3.52 0.00 -0.87 -5.01 120.51 117.93 1xfn n ALA 67 Ca 0.18 -1.00 0.15 0.00 0.00 0.00 0.00 53.44 52.77 1xfn n ALA 67 Cb 0.72 -2.01 0.74 0.00 0.00 0.00 0.00 19.45 18.89 1xfn n ALA 67 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xfn n PRO 68 N 1.66 0.37 0.14 0.00 -0.02 -1.26 -2.78 135.00 133.11 1xfn n PRO 68 Ca 0.07 -0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1xfn n PRO 68 Cb 0.65 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.68 1xfn n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xfn h THR 70 N 0.00 1.57 -2.16 0.00 2.02 -1.82 -3.40 112.91 109.12 1xfn h THR 70 Ca -0.03 -3.12 -0.57 0.00 0.77 0.00 0.00 66.41 63.46 1xfn h THR 70 Cb 1.19 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 70.43 1xfn h THR 70 CO 0.02 0.90 1.44 -0.62 0.37 0.00 0.00 175.52 177.63 1xfn s ASP 71 N -6.97 5.47 0.02 4.18 -1.08 -1.26 -3.97 116.67 113.06 1xfn s ASP 71 Ca -0.02 1.57 -0.28 0.00 -0.52 0.00 0.00 52.55 53.30 1xfn s ASP 71 Cb 0.09 -2.51 0.09 0.00 -1.46 0.00 0.00 42.92 39.12 1xfn s ASP 71 CO 0.85 -2.00 0.75 -0.44 0.52 0.00 0.00 175.17 174.85 1xfn s SER 72 N 8.03 -0.52 0.45 -0.34 0.01 -1.26 -4.92 113.70 115.15 1xfn s SER 72 Ca 0.93 0.26 0.12 0.00 1.31 0.00 0.00 55.95 58.56 1xfn s SER 72 Cb -0.27 0.49 1.03 0.00 0.21 0.00 0.00 66.02 67.48 1xfn s SER 72 CO 0.33 -0.70 2.06 -0.65 0.41 0.00 0.00 173.24 174.70 1xfn h PRO 73 N 2.36 0.34 -0.00 12.44 0.11 -1.94 0.32 132.00 145.63 1xfn h PRO 73 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xfn h PRO 73 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xfn h PRO 73 CO 0.36 0.22 -0.02 -0.85 -0.21 0.00 0.00 178.00 177.50 1xfn n GLU 74 N -4.49 0.02 0.02 1.05 0.28 -1.26 -3.24 120.64 113.03 1xfn n GLU 74 Ca 0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1xfn n GLU 74 Cb 0.16 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1xfn n GLU 74 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1xfn n PHE 75 N -1.49 -0.28 -0.32 -1.84 -0.00 -0.80 -4.64 117.46 108.09 1xfn n PHE 75 Ca 0.07 0.05 0.02 0.00 -0.00 0.00 0.00 57.45 57.59 1xfn n PHE 75 Cb 0.34 0.26 0.16 0.00 -0.00 0.00 0.00 39.48 40.23 1xfn n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1xfn h TYR 76 N 0.00 1.00 -0.42 -5.13 5.03 -0.57 0.25 116.97 117.13 1xfn h TYR 76 Ca 0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1xfn h TYR 76 Cb 0.00 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 37.94 1xfn h TYR 76 CO 0.00 0.48 0.26 0.78 -1.32 0.00 0.00 178.16 178.36 1xfn h GLY 77 N 0.96 0.60 1.48 1.82 0.00 -1.14 0.21 103.07 107.00 1xfn h GLY 77 Ca 0.39 -0.24 -0.29 0.00 0.00 0.00 0.00 47.33 47.20 1xfn h GLY 77 CO -0.19 0.23 -1.28 0.50 0.00 0.00 0.00 176.54 175.80 1xfn h LYS 78 N 0.58 0.40 -0.61 4.80 1.79 -1.20 -1.60 116.57 120.73 1xfn h LYS 78 Ca 0.15 -0.63 0.05 0.00 -2.18 0.00 0.00 60.65 58.04 1xfn h LYS 78 Cb -0.03 0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 1xfn h LYS 78 CO -0.03 1.29 0.34 0.35 -1.08 0.00 0.00 179.45 180.32 1xfn h PHE 79 N 0.13 0.63 0.00 -1.35 3.57 -0.09 -2.37 116.94 117.47 1xfn h PHE 79 Ca -0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1xfn h PHE 79 Cb 1.98 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.52 1xfn h PHE 79 CO 0.09 0.32 0.00 0.87 -2.23 0.00 0.00 178.31 177.36 1xfn h LYS 80 N 0.65 0.00 -0.42 1.11 1.79 -0.55 -3.18 116.57 115.97 1xfn h LYS 80 Ca 0.26 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.61 1xfn h LYS 80 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1xfn h LYS 80 CO -0.15 0.00 -0.23 1.49 -1.08 0.00 0.00 179.45 179.48 1xfn h GLU 81 N 0.00 0.85 -0.09 3.15 4.22 -0.73 -0.83 114.58 121.15 1xfn h GLU 81 Ca 0.00 -0.35 -0.08 0.00 0.08 0.00 0.00 59.36 59.00 1xfn h GLU 81 Cb 0.74 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1xfn h GLU 81 CO 0.00 0.99 -0.27 0.78 -2.18 0.00 0.00 179.01 178.33 1xfn h GLY 82 N 0.93 0.38 0.06 1.92 0.00 -1.54 -3.20 103.07 101.62 1xfn h GLY 82 Ca 0.10 -0.48 0.11 0.00 0.00 0.00 0.00 47.33 47.06 1xfn h GLY 82 CO 0.06 0.43 -0.01 -2.08 0.00 0.00 0.00 176.54 174.94 1xfn h VAL 83 N -0.12 0.55 0.00 4.60 2.07 -1.54 -1.25 116.25 120.56 1xfn h VAL 83 Ca -0.01 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xfn h VAL 83 Cb 0.89 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1xfn h VAL 83 CO 0.06 0.02 -0.00 0.00 0.02 0.00 0.00 177.57 177.66 1xfn h ALA 84 N 1.50 1.03 -3.00 1.67 0.00 -1.14 -3.32 119.26 115.99 1xfn h ALA 84 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xfn h ALA 84 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xfn h ALA 84 CO -0.47 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.23 1xfn n SER 85 N -3.13 0.00 0.13 0.00 2.88 -0.57 -5.10 113.62 107.84 1xfn n SER 85 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1xfn n SER 85 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1xfn n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xfn n GLY 86 N 2.59 -1.68 3.74 0.46 0.00 -0.62 -5.12 105.19 104.57 1xfn n GLY 86 Ca 0.00 0.49 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 1xfn n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfn s ASN 87 N -1.91 6.30 -0.34 1.61 0.01 -1.25 -4.81 114.94 114.54 1xfn s ASN 87 Ca 0.00 0.34 -0.01 0.00 -0.71 0.00 0.00 52.86 52.48 1xfn s ASN 87 Cb 0.00 -2.12 0.08 0.00 0.41 0.00 0.00 41.25 39.62 1xfn s ASN 87 CO 0.00 0.17 0.08 -0.22 -1.51 0.00 0.00 177.10 175.62 1xfn s LEU 88 N 0.28 4.53 -0.33 0.60 0.20 -1.26 -4.65 118.68 118.05 1xfn s LEU 88 Ca 0.11 -1.73 0.02 0.00 0.69 0.00 0.00 54.13 53.23 1xfn s LEU 88 Cb -0.12 -1.73 0.15 0.00 -0.43 0.00 0.00 46.19 44.07 1xfn s LEU 88 CO 0.00 -0.38 0.37 0.54 -0.29 0.00 0.00 176.35 176.59 1xfn s ASN 89 N 1.38 1.01 -0.01 3.68 4.22 -1.20 -0.03 114.94 123.99 1xfn s ASN 89 Ca 0.03 -1.02 -0.04 0.00 -2.14 0.00 0.00 52.86 49.68 1xfn s ASN 89 Cb -0.21 0.74 0.00 0.00 1.28 0.00 0.00 41.25 43.06 1xfn s ASN 89 CO -0.04 -0.32 0.09 -0.89 -2.04 0.00 0.00 177.10 173.90 1xfn s THR 90 N 1.98 0.05 -0.20 0.54 2.01 -0.09 -4.98 115.64 114.95 1xfn s THR 90 Ca 0.13 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1xfn s THR 90 Cb -0.14 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.14 1xfn s THR 90 CO -0.19 -0.22 -0.18 0.00 -0.69 0.00 0.00 174.62 173.34 1xfn s MET 91 N -0.71 2.81 0.18 4.92 0.23 -1.26 -0.37 119.30 125.12 1xfn s MET 91 Ca -0.08 -0.94 0.11 0.00 -1.03 0.00 0.00 55.69 53.75 1xfn s MET 91 Cb -0.05 -2.63 -0.04 0.00 -1.53 0.00 0.00 34.83 30.58 1xfn s MET 91 CO 0.00 -0.29 -0.23 0.12 -2.03 0.00 0.00 175.02 172.60 1xfn s PHE 92 N 1.25 2.20 -0.47 3.16 2.19 -0.36 -4.86 117.98 121.10 1xfn s PHE 92 Ca 0.02 -0.38 -0.13 0.00 0.33 0.00 0.00 56.93 56.77 1xfn s PHE 92 Cb -0.15 -1.10 0.09 0.00 -1.31 0.00 0.00 43.02 40.56 1xfn s PHE 92 CO -0.11 0.46 0.36 -1.83 1.83 0.00 0.00 175.22 175.93 1xfn s GLU 93 N -2.65 2.78 0.28 10.12 -1.05 -1.26 0.69 118.70 127.62 1xfn s GLU 93 Ca 0.19 -1.51 0.09 0.00 -0.15 0.00 0.00 54.97 53.59 1xfn s GLU 93 Cb -0.08 -4.01 -0.04 0.00 -0.44 0.00 0.00 34.13 29.56 1xfn s GLU 93 CO 0.09 -1.08 0.08 -0.47 0.95 0.00 0.00 175.26 174.84 1xfn s TYR 94 N 1.52 2.80 -0.19 4.83 6.14 0.06 -4.85 117.35 127.67 1xfn s TYR 94 Ca 0.04 -0.23 -0.07 0.00 0.64 0.00 0.00 57.07 57.44 1xfn s TYR 94 Cb -0.25 -1.36 -0.04 0.00 0.42 0.00 0.00 41.96 40.73 1xfn s TYR 94 CO 0.03 0.52 0.06 0.99 0.64 0.00 0.00 175.55 177.79 1xfn s THR 95 N -2.30 4.71 -0.45 4.34 2.01 -1.26 -2.14 115.64 120.55 1xfn s THR 95 Ca 0.33 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 1xfn s THR 95 Cb -0.06 -3.13 0.08 0.00 0.01 0.00 0.00 72.50 69.41 1xfn s THR 95 CO 0.22 0.45 0.34 -0.36 -0.69 0.00 0.00 174.62 174.58 1xfn s PHE 96 N 0.45 3.29 0.00 4.92 0.08 -0.75 -4.89 117.98 121.08 1xfn s PHE 96 Ca 0.03 -1.26 0.00 0.00 0.12 0.00 0.00 56.93 55.82 1xfn s PHE 96 Cb -0.13 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 1xfn s PHE 96 CO 0.01 -0.84 0.85 -0.40 -0.10 0.00 0.00 175.22 174.74 1xfn n ASP 97 N 5.06 1.60 0.00 1.36 5.68 -1.21 -2.54 116.55 126.50 1xfn n ASP 97 Ca -0.11 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1xfn n ASP 97 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1xfn n ASP 97 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xfn n TYR 98 N -0.37 0.00 0.04 2.11 4.19 -1.26 -4.61 117.16 117.26 1xfn n TYR 98 Ca 0.00 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 1xfn n TYR 98 Cb 0.24 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 39.93 1xfn n TYR 98 CO 0.00 0.00 0.00 -0.56 0.91 0.00 0.00 176.86 177.21 1xfn h GLN 99 N 0.00 0.27 -6.62 2.98 3.07 -1.98 -3.45 115.11 109.38 1xfn h GLN 99 Ca 0.00 -0.47 -0.51 0.00 0.09 0.00 0.00 58.65 57.76 1xfn h GLN 99 Cb 0.00 0.17 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 1xfn h GLN 99 CO 0.00 1.14 0.26 1.41 0.09 0.00 0.00 178.83 181.73 1xfn s MET 100 N -2.58 4.70 0.47 0.06 1.75 -1.26 -5.03 119.30 117.40 1xfn s MET 100 Ca -0.15 1.31 -0.25 0.00 -1.25 0.00 0.00 55.69 55.35 1xfn s MET 100 Cb 0.06 -3.27 -0.08 0.00 2.84 0.00 0.00 34.83 34.39 1xfn s MET 100 CO 0.82 0.54 1.40 0.95 -0.65 0.00 0.00 175.02 178.09 1xfn s THR 101 N -1.14 2.13 -0.92 10.11 -4.23 -1.26 -3.34 115.64 116.99 1xfn s THR 101 Ca 0.38 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.90 1xfn s THR 101 Cb -0.24 -3.06 -0.30 0.00 1.34 0.00 0.00 72.50 70.24 1xfn s THR 101 CO 0.29 0.01 2.11 -2.65 -0.54 0.00 0.00 174.62 173.84 1xfn n PRO 102 N -0.34 0.07 -4.26 3.99 -0.02 -1.20 -4.60 135.00 128.65 1xfn n PRO 102 Ca 0.06 -0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.11 1xfn n PRO 102 Cb 0.43 -1.34 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 1xfn n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xfn s THR 103 N 1.88 4.11 -0.45 3.45 2.01 -1.05 -4.92 115.64 120.67 1xfn s THR 103 Ca 1.19 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 62.37 1xfn s THR 103 Cb -0.71 -2.86 0.08 0.00 0.01 0.00 0.00 72.50 69.02 1xfn s THR 103 CO 0.48 0.32 0.33 -0.54 -0.69 0.00 0.00 174.62 174.52 1xfn s LYS 104 N -1.72 2.79 0.35 4.92 -0.14 -1.26 -1.81 119.74 122.86 1xfn s LYS 104 Ca 0.21 -1.42 0.09 0.00 -1.36 0.00 0.00 55.97 53.48 1xfn s LYS 104 Cb -0.12 -3.97 -0.06 0.00 -1.68 0.00 0.00 37.83 32.01 1xfn s LYS 104 CO 0.12 -1.01 -0.00 0.14 -0.76 0.00 0.00 175.35 173.84 1xfn s VAL 105 N 1.53 2.47 -0.23 3.17 -7.23 -0.91 -3.87 120.40 115.33 1xfn s VAL 105 Ca 0.04 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1xfn s VAL 105 Cb -0.24 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 1xfn s VAL 105 CO 0.04 -0.18 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.89 1xfn s LYS 106 N -3.70 3.37 -0.19 4.82 2.20 0.17 -0.76 119.74 125.65 1xfn s LYS 106 Ca 0.35 -0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 55.26 1xfn s LYS 106 Cb 0.01 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1xfn s LYS 106 CO 0.19 -0.22 0.04 0.08 -0.36 0.00 0.00 175.35 175.07 1xfn s VAL 107 N 1.49 4.44 -0.29 4.02 1.01 0.22 -1.03 120.40 130.26 1xfn s VAL 107 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1xfn s VAL 107 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1xfn s VAL 107 CO -0.02 0.43 0.05 -2.28 0.00 0.00 0.00 175.10 173.29 1xfn s HIS 108 N 0.72 3.14 -0.27 5.22 2.46 0.86 -1.22 115.29 126.20 1xfn s HIS 108 Ca 0.02 -1.15 -0.10 0.00 0.47 0.00 0.00 55.06 54.30 1xfn s HIS 108 Cb -0.14 -2.21 -0.04 0.00 -0.13 0.00 0.00 32.58 30.06 1xfn s HIS 108 CO 0.02 -0.62 0.16 -1.64 -2.47 0.00 0.00 174.74 170.19 1xfn s MET 109 N 1.45 3.86 -0.07 2.88 -1.94 0.50 -0.20 119.30 125.79 1xfn s MET 109 Ca 0.02 -0.37 -0.03 0.00 -1.71 0.00 0.00 55.69 53.60 1xfn s MET 109 Cb -0.17 -3.59 0.04 0.00 2.01 0.00 0.00 34.83 33.12 1xfn s MET 109 CO 0.01 -0.19 0.15 -1.59 -0.01 0.00 0.00 175.02 173.39 1xfn s LYS 110 N 1.72 0.05 0.11 2.03 -2.85 -0.46 -0.92 119.74 119.43 1xfn s LYS 110 Ca 0.07 0.47 -0.33 0.00 -1.00 0.00 0.00 55.97 55.18 1xfn s LYS 110 Cb -0.16 -0.24 -0.12 0.00 -2.06 0.00 0.00 37.83 35.25 1xfn s LYS 110 CO 0.09 -0.24 1.75 1.17 0.10 0.00 0.00 175.35 178.22 1xfn n LYS 111 N 4.82 2.50 -2.94 1.78 4.81 0.96 0.64 118.16 130.73 1xfn n LYS 111 Ca -0.15 0.91 0.03 0.00 -0.87 0.00 0.00 58.31 58.24 1xfn n LYS 111 Cb 0.51 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1xfn n LYS 111 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xfn s ALA 112 N 2.19 -4.20 0.00 3.14 0.00 -0.69 -4.85 121.76 117.35 1xfn s ALA 112 Ca 0.82 1.27 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1xfn s ALA 112 Cb -0.58 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1xfn s ALA 112 CO 0.39 -2.32 0.00 1.47 0.00 0.00 0.00 175.76 175.30 1xfn n LEU 113 N 4.30 0.00 -4.37 0.00 -0.00 -1.26 -4.68 117.00 110.99 1xfn n LEU 113 Ca 0.07 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.69 1xfn n LEU 113 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.01 1xfn n LEU 113 CO -0.13 0.00 2.01 -0.24 -0.00 0.00 0.00 177.39 179.03 1xfn n SER 114 N 0.34 4.21 0.00 1.45 2.88 -1.26 -4.66 113.62 116.58 1xfn n SER 114 Ca 0.00 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 1xfn n SER 114 Cb 0.00 -1.69 0.00 0.00 -0.75 0.00 0.00 64.21 61.77 1xfn n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xfn n GLY 115 N 5.20 -0.47 0.99 0.46 0.00 -1.26 -4.96 105.19 105.15 1xfn n GLY 115 Ca 0.49 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1xfn n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xfn n ASP 116 N 0.00 0.36 -4.99 1.61 5.68 -1.26 -5.00 116.55 112.94 1xfn n ASP 116 Ca 0.00 -1.92 -0.19 0.00 -0.50 0.00 0.00 54.79 52.18 1xfn n ASP 116 Cb 0.00 -0.18 0.01 0.00 -1.14 0.00 0.00 41.12 39.80 1xfn n ASP 116 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1xfn s SER 117 N -1.37 5.79 0.17 -1.12 0.01 -1.26 -4.12 113.70 111.79 1xfn s SER 117 Ca 0.15 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.27 1xfn s SER 117 Cb 0.17 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 1xfn s SER 117 CO -0.08 -0.64 -0.15 -0.31 0.41 0.00 0.00 173.24 172.48 1xfn s TYR 118 N -2.32 1.63 -0.39 2.43 1.51 0.24 -1.70 117.35 118.75 1xfn s TYR 118 Ca 0.50 -0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 1xfn s TYR 118 Cb -0.10 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1xfn s TYR 118 CO 0.33 0.27 0.27 -1.58 -1.11 0.00 0.00 175.55 173.74 1xfn s TRP 119 N -2.47 3.24 -0.41 2.71 0.52 0.21 -1.17 118.94 121.56 1xfn s TRP 119 Ca 0.16 -0.63 -0.12 0.00 0.02 0.00 0.00 56.10 55.53 1xfn s TRP 119 Cb -0.03 -2.54 0.05 0.00 -1.15 0.00 0.00 33.47 29.79 1xfn s TRP 119 CO 0.05 -0.58 0.27 0.54 0.02 0.00 0.00 176.95 177.26 1xfn s VAL 120 N 1.66 4.75 -0.09 4.03 0.11 0.58 -1.35 120.40 130.08 1xfn s VAL 120 Ca 0.04 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1xfn s VAL 120 Cb -0.19 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 1xfn s VAL 120 CO 0.09 -0.38 0.09 -0.36 -3.33 0.00 0.00 175.10 171.21 1xfn s PHE 121 N 1.56 3.42 -0.45 1.54 0.40 0.72 -0.21 117.98 124.96 1xfn s PHE 121 Ca 0.03 0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 56.62 1xfn s PHE 121 Cb -0.21 -1.87 0.08 0.00 0.51 0.00 0.00 43.02 41.54 1xfn s PHE 121 CO 0.06 0.63 0.33 0.08 0.70 0.00 0.00 175.22 177.02 1xfn s VAL 122 N -1.01 4.65 -0.20 -0.44 1.01 0.39 -0.10 120.40 124.70 1xfn s VAL 122 Ca 0.16 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1xfn s VAL 122 Cb -0.12 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1xfn s VAL 122 CO 0.05 -0.58 0.04 -0.54 0.00 0.00 0.00 175.10 174.06 1xfn s LYS 123 N 1.51 3.77 0.31 2.72 -0.14 -0.20 -2.81 119.74 124.90 1xfn s LYS 123 Ca 0.04 -0.44 -0.27 0.00 -1.36 0.00 0.00 55.97 53.94 1xfn s LYS 123 Cb -0.24 -3.18 -0.10 0.00 -1.68 0.00 0.00 37.83 32.63 1xfn s LYS 123 CO 0.03 0.08 0.95 1.03 -0.76 0.00 0.00 175.35 176.69 1xfn s ARG 124 N 0.86 4.61 0.00 1.68 0.52 -1.26 0.46 118.95 125.82 1xfn s ARG 124 Ca 0.03 1.36 0.31 0.00 -0.52 0.00 0.00 55.73 56.90 1xfn s ARG 124 Cb -0.14 -2.86 1.60 0.00 0.52 0.00 0.00 34.95 34.07 1xfn s ARG 124 CO 0.02 0.30 2.05 0.28 0.02 0.00 0.00 175.30 177.97