#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfe s LYS 3 N 0.00 0.25 0.10 -1.46 0.00 -0.76 -4.98 119.74 112.88 3dfe s LYS 3 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 55.97 55.72 3dfe s LYS 3 Cb 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 37.83 37.36 3dfe s LYS 3 CO 0.00 -0.10 1.22 1.03 0.00 0.00 0.00 175.35 177.50 3dfe s ARG 4 N 0.82 4.44 0.12 1.78 1.81 -1.26 -0.67 118.95 125.98 3dfe s ARG 4 Ca -0.08 1.83 -0.01 0.00 -1.72 0.00 0.00 55.73 55.74 3dfe s ARG 4 Cb -0.11 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 31.04 3dfe s ARG 4 CO -0.02 -0.23 0.04 0.00 -0.68 0.00 0.00 175.30 174.42 3dfe s ALA 5 N 0.78 0.79 -0.23 2.13 0.00 0.26 -4.93 121.76 120.58 3dfe s ALA 5 Ca 0.58 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 3dfe s ALA 5 Cb -0.31 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 3dfe s ALA 5 CO 0.31 -0.47 0.26 -0.80 0.00 0.00 0.00 175.76 175.07 3dfe s ASN 6 N -3.03 6.24 -0.56 0.00 0.01 -1.25 -1.14 114.94 115.22 3dfe s ASN 6 Ca 0.21 0.27 -0.18 0.00 -0.71 0.00 0.00 52.86 52.46 3dfe s ASN 6 Cb 0.08 -2.16 0.11 0.00 0.41 0.00 0.00 41.25 39.68 3dfe s ASN 6 CO -0.00 -0.01 0.60 -0.75 -1.51 0.00 0.00 177.10 175.43 3dfe s LYS 7 N 1.23 3.02 -0.07 -0.60 2.20 0.44 -0.92 119.74 125.04 3dfe s LYS 7 Ca 0.12 -1.45 -0.27 0.00 -0.36 0.00 0.00 55.97 54.01 3dfe s LYS 7 Cb -0.14 -4.26 -0.03 0.00 -1.51 0.00 0.00 37.83 31.89 3dfe s LYS 7 CO 0.06 -1.41 0.86 -1.17 -0.36 0.00 0.00 175.35 173.33 3dfe s LEU 8 N 2.20 4.30 -0.12 5.43 2.96 0.79 -1.21 118.68 133.03 3dfe s LEU 8 Ca 0.08 1.38 0.02 0.00 -0.22 0.00 0.00 54.13 55.39 3dfe s LEU 8 Cb -0.26 -3.33 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 3dfe s LEU 8 CO 0.05 -0.26 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.94 3dfe s VAL 9 N 1.28 2.49 -0.18 1.68 1.01 0.72 -0.69 120.40 126.72 3dfe s VAL 9 Ca 0.44 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3dfe s VAL 9 Cb -0.19 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3dfe s VAL 9 CO 0.20 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 175.07 3dfe s ILE 10 N 0.41 1.80 -0.20 2.22 1.01 -0.56 -1.28 121.20 124.60 3dfe s ILE 10 Ca -0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 3dfe s ILE 10 Cb -0.17 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 3dfe s ILE 10 CO 0.06 0.35 -0.06 -0.69 0.00 0.00 0.00 174.94 174.60 3dfe s VAL 11 N 1.36 3.35 0.14 2.92 1.01 -0.21 -0.35 120.40 128.62 3dfe s VAL 11 Ca 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 3dfe s VAL 11 Cb -0.15 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3dfe s VAL 11 CO -0.10 0.45 0.22 1.07 0.00 0.00 0.00 175.10 176.74 3dfe n THR 12 N 4.42 0.00 -2.46 3.92 5.66 -0.75 -0.78 114.28 124.30 3dfe n THR 12 Ca -0.18 -0.62 -0.39 0.00 -3.05 0.00 0.00 64.05 59.81 3dfe n THR 12 Cb 0.51 0.42 -0.04 0.00 -1.55 0.00 0.00 70.33 69.68 3dfe n THR 12 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dfe s GLU 13 N -2.24 4.45 0.48 1.09 2.02 -1.25 -0.75 118.70 122.50 3dfe s GLU 13 Ca 0.10 1.75 0.20 0.00 0.02 0.00 0.00 54.97 57.05 3dfe s GLU 13 Cb -0.01 -2.97 1.22 0.00 0.10 0.00 0.00 34.13 32.47 3dfe s GLU 13 CO 0.07 0.05 1.96 1.57 0.02 0.00 0.00 175.26 178.93 3dfe h LYS 14 N 3.35 0.21 -0.17 1.61 5.09 -1.90 -1.62 116.57 123.13 3dfe h LYS 14 Ca -0.47 -0.01 0.05 0.00 0.09 0.00 0.00 60.65 60.30 3dfe h LYS 14 Cb 1.22 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 33.49 3dfe h LYS 14 CO 0.65 0.14 0.18 -0.39 -2.09 0.00 0.00 179.45 177.94 3dfe h VAL 15 N 0.21 0.53 -0.44 0.07 -1.51 -1.97 -1.71 116.25 111.43 3dfe h VAL 15 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 3dfe h VAL 15 Cb 0.92 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3dfe h VAL 15 CO -0.06 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.46 3dfe n LEU 16 N -3.90 2.35 0.10 4.19 4.77 -0.61 -4.55 117.00 119.36 3dfe n LEU 16 Ca 0.01 -1.18 -0.13 0.00 -0.03 0.00 0.00 56.01 54.69 3dfe n LEU 16 Cb 0.30 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3dfe n LEU 16 CO 0.28 0.58 0.66 0.25 -1.33 0.00 0.00 177.39 177.84 3dfe h LEU 17 N 2.56 -0.90 -0.62 2.23 6.46 -1.46 0.67 115.31 124.25 3dfe h LEU 17 Ca 0.00 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 3dfe h LEU 17 Cb 0.59 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 3dfe h LEU 17 CO 0.00 -0.39 0.23 0.11 -0.62 0.00 0.00 178.44 177.77 3dfe h LYS 18 N -0.51 0.94 -0.23 1.25 1.57 -1.84 -0.45 116.57 117.29 3dfe h LYS 18 Ca 0.04 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3dfe h LYS 18 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3dfe h LYS 18 CO -0.20 0.81 0.05 1.57 -0.57 0.00 0.00 179.45 181.11 3dfe h LYS 19 N 0.87 0.38 -0.43 3.15 -0.00 -1.80 -1.89 116.57 116.84 3dfe h LYS 19 Ca 0.20 -0.09 -0.12 0.00 -0.00 0.00 0.00 60.65 60.64 3dfe h LYS 19 Cb 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 32.40 3dfe h LYS 19 CO -0.01 0.49 -0.20 0.28 -0.00 0.00 0.00 179.45 180.01 3dfe h VAL 20 N 0.20 1.27 -0.79 0.07 2.07 -0.78 -2.68 116.25 115.61 3dfe h VAL 20 Ca 0.07 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.29 3dfe h VAL 20 Cb 0.29 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3dfe h VAL 20 CO 0.00 0.45 0.51 0.00 0.02 0.00 0.00 177.57 178.55 3dfe h ALA 21 N 1.02 1.03 -0.82 1.67 0.00 -1.00 -1.74 119.26 119.43 3dfe h ALA 21 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dfe h ALA 21 Cb 0.73 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3dfe h ALA 21 CO 0.06 0.33 0.42 1.57 0.00 0.00 0.00 179.25 181.63 3dfe h LYS 22 N 0.99 1.16 -0.52 0.00 -0.00 -1.06 -1.86 116.57 115.28 3dfe h LYS 22 Ca 0.31 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.65 60.75 3dfe h LYS 22 Cb -0.01 -0.22 -0.02 0.00 -0.00 0.00 0.00 32.23 31.99 3dfe h LYS 22 CO -0.11 0.87 0.10 0.82 -0.00 0.00 0.00 179.45 181.14 3dfe h ILE 23 N 1.15 1.25 0.32 0.07 2.04 -1.14 0.56 117.51 121.75 3dfe h ILE 23 Ca 0.28 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3dfe h ILE 23 Cb 0.08 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3dfe h ILE 23 CO -0.04 0.33 -0.16 0.40 0.00 0.00 0.00 178.15 178.67 3dfe h ILE 24 N 0.73 0.66 -0.39 -0.67 2.04 -1.11 -1.09 117.51 117.68 3dfe h ILE 24 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 3dfe h ILE 24 Cb 0.38 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3dfe h ILE 24 CO 0.01 0.00 0.26 -0.33 0.00 0.00 0.00 178.15 178.08 3dfe h GLU 25 N -0.45 0.51 0.00 2.37 5.08 -1.27 -2.32 114.58 118.50 3dfe h GLU 25 Ca -0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3dfe h GLU 25 Cb 0.35 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3dfe h GLU 25 CO 0.06 0.34 -0.05 0.93 -1.00 0.00 0.00 179.01 179.30 3dfe h GLU 26 N 0.52 0.00 0.00 2.33 5.08 -0.85 -2.03 114.58 119.64 3dfe h GLU 26 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3dfe h GLU 26 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3dfe h GLU 26 CO -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 3dfe h ALA 27 N 1.95 1.00 0.00 3.43 0.00 -0.66 -3.47 119.26 121.52 3dfe h ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dfe h ALA 27 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dfe h ALA 27 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3dfe n GLY 28 N 0.53 1.10 3.75 0.00 0.00 -0.76 -5.07 105.19 104.74 3dfe n GLY 28 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3dfe n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfe s ALA 29 N -2.00 3.72 -0.14 4.61 0.00 -1.00 -4.89 121.76 122.07 3dfe s ALA 29 Ca 0.00 1.49 0.23 0.00 0.00 0.00 0.00 51.96 53.68 3dfe s ALA 29 Cb 0.00 -3.62 0.60 0.00 0.00 0.00 0.00 23.12 20.09 3dfe s ALA 29 CO 0.00 -0.90 1.69 1.79 0.00 0.00 0.00 175.76 178.34 3dfe h THR 30 N 3.49 0.34 -1.27 0.00 1.35 -1.90 -3.43 112.91 111.48 3dfe h THR 30 Ca -0.46 -1.23 0.36 0.00 -0.55 0.00 0.00 66.41 64.52 3dfe h THR 30 Cb 1.22 1.96 -0.13 0.00 -1.73 0.00 0.00 68.15 69.47 3dfe h THR 30 CO 0.81 0.17 0.91 -0.83 -0.25 0.00 0.00 175.52 176.32 3dfe s GLY 31 N -4.28 -0.45 0.01 5.82 0.00 -1.26 -5.17 107.32 101.99 3dfe s GLY 31 Ca 0.04 0.80 -0.28 0.00 0.00 0.00 0.00 44.72 45.27 3dfe s GLY 31 CO 0.66 0.37 0.81 -2.52 0.00 0.00 0.00 173.10 172.42 3dfe s TYR 32 N -2.23 -0.43 0.03 1.90 -0.85 -1.26 -4.48 117.35 110.03 3dfe s TYR 32 Ca 0.15 0.40 0.03 0.00 -0.52 0.00 0.00 57.07 57.13 3dfe s TYR 32 Cb 0.06 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 3dfe s TYR 32 CO -0.05 -0.60 -0.00 0.99 -1.52 0.00 0.00 175.55 174.37 3dfe s THR 33 N -2.78 4.09 -0.02 -3.49 2.01 -0.22 -4.96 115.64 110.28 3dfe s THR 33 Ca 0.01 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3dfe s THR 33 Cb -0.01 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.66 3dfe s THR 33 CO -0.06 0.29 0.02 0.54 -0.69 0.00 0.00 174.62 174.71 3dfe s VAL 34 N -1.16 -0.04 0.07 3.82 0.11 -1.26 -1.24 120.40 120.70 3dfe s VAL 34 Ca 0.22 0.17 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 3dfe s VAL 34 Cb -0.12 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 3dfe s VAL 34 CO 0.13 0.07 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.18 3dfe s VAL 35 N 0.85 0.85 0.10 2.04 1.01 -0.47 -4.95 120.40 119.83 3dfe s VAL 35 Ca -0.07 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 60.34 3dfe s VAL 35 Cb -0.10 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 3dfe s VAL 35 CO -0.02 -0.38 0.75 -1.81 0.00 0.00 0.00 175.10 173.63 3dfe s ASP 36 N -1.90 7.27 0.03 3.32 1.01 -1.26 -0.32 116.67 124.82 3dfe s ASP 36 Ca -0.03 1.51 0.00 0.00 0.71 0.00 0.00 52.55 54.74 3dfe s ASP 36 Cb -0.08 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3dfe s ASP 36 CO 0.01 0.13 -0.04 0.42 0.21 0.00 0.00 175.17 175.90 3dfe s THR 37 N -0.65 0.21 0.14 -1.27 -4.23 -0.53 -4.91 115.64 104.40 3dfe s THR 37 Ca 0.36 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 3dfe s THR 37 Cb -0.21 -0.73 0.02 0.00 1.34 0.00 0.00 72.50 72.92 3dfe s THR 37 CO 0.24 -0.65 0.19 0.61 -0.54 0.00 0.00 174.62 174.47 3dfe n GLY 38 N 1.07 2.00 0.00 3.99 0.00 -1.26 -1.71 105.19 109.28 3dfe n GLY 38 Ca -0.20 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.66 3dfe n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfe n GLY 39 N 3.27 0.88 0.00 -0.02 0.00 -1.26 -5.06 105.19 103.00 3dfe n GLY 39 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3dfe n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dfe n ASN 59 N 0.00 0.00 -4.00 1.61 4.13 -0.69 -5.30 115.26 111.01 3dfe n ASN 59 Ca 0.00 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 3dfe n ASN 59 Cb 0.00 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 3dfe n ASN 59 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3dfe s VAL 60 N -2.13 0.56 -0.20 2.41 0.11 0.07 -1.46 120.40 119.76 3dfe s VAL 60 Ca 0.00 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.69 3dfe s VAL 60 Cb 0.00 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 3dfe s VAL 60 CO 0.00 0.11 -0.17 -0.75 -3.33 0.00 0.00 175.10 170.96 3dfe s LYS 61 N -0.30 2.73 -0.01 1.54 2.20 0.56 -1.80 119.74 124.66 3dfe s LYS 61 Ca 0.02 -0.95 -0.09 0.00 -0.36 0.00 0.00 55.97 54.59 3dfe s LYS 61 Cb -0.03 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 3dfe s LYS 61 CO -0.00 -0.31 0.30 -0.06 -0.36 0.00 0.00 175.35 174.91 3dfe s PHE 62 N 1.26 3.63 -0.07 4.03 0.40 0.52 -1.37 117.98 126.38 3dfe s PHE 62 Ca 0.01 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.08 3dfe s PHE 62 Cb -0.15 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.31 3dfe s PHE 62 CO -0.11 0.64 -0.11 -1.21 0.70 0.00 0.00 175.22 175.13 3dfe s GLU 63 N -1.41 1.59 -0.06 0.44 2.02 -0.37 -1.50 118.70 119.42 3dfe s GLU 63 Ca 0.24 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 3dfe s GLU 63 Cb -0.14 -1.37 0.03 0.00 0.10 0.00 0.00 34.13 32.75 3dfe s GLU 63 CO 0.13 -0.02 0.02 0.08 0.02 0.00 0.00 175.26 175.48 3dfe s VAL 64 N 0.83 0.21 -0.36 2.63 1.01 0.14 -1.06 120.40 123.79 3dfe s VAL 64 Ca -0.12 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 3dfe s VAL 64 Cb -0.15 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3dfe s VAL 64 CO 0.02 0.23 0.77 -0.76 0.00 0.00 0.00 175.10 175.35 3dfe s LEU 65 N 1.95 4.14 0.20 3.92 1.43 -1.26 -0.15 118.68 128.92 3dfe s LEU 65 Ca 0.04 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3dfe s LEU 65 Cb -0.12 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3dfe s LEU 65 CO -0.04 -0.72 0.40 0.42 0.23 0.00 0.00 176.35 176.64 3dfe s THR 66 N 3.06 5.19 0.06 5.49 -4.23 -0.10 -4.80 115.64 120.31 3dfe s THR 66 Ca 0.31 -0.29 -0.31 0.00 -1.18 0.00 0.00 61.69 60.21 3dfe s THR 66 Cb -0.13 -3.72 -0.16 0.00 1.34 0.00 0.00 72.50 69.82 3dfe s THR 66 CO 0.17 -0.17 1.48 1.05 -0.54 0.00 0.00 174.62 176.61 3dfe h GLU 67 N 2.05 -0.96 -5.11 3.99 9.09 -1.95 -3.32 114.58 118.36 3dfe h GLU 67 Ca -0.48 0.07 -0.54 0.00 0.05 0.00 0.00 59.36 58.45 3dfe h GLU 67 Cb 1.19 0.22 -0.13 0.00 -1.65 0.00 0.00 28.75 28.37 3dfe h GLU 67 CO 0.68 -0.64 -0.54 0.54 0.05 0.00 0.00 179.01 179.10 3dfe s ASN 68 N -3.87 2.80 0.12 3.06 2.20 -1.26 -4.77 114.94 113.22 3dfe s ASN 68 Ca -0.16 -1.58 -0.20 0.00 -0.94 0.00 0.00 52.86 49.97 3dfe s ASN 68 Cb 0.03 0.33 -0.08 0.00 -2.00 0.00 0.00 41.25 39.52 3dfe s ASN 68 CO 0.51 -0.83 1.77 -0.09 -2.94 0.00 0.00 177.10 175.52 3dfe h ARG 69 N 1.84 0.21 -0.26 3.55 9.65 -1.98 -3.02 114.38 124.37 3dfe h ARG 69 Ca -0.38 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 3dfe h ARG 69 Cb 1.27 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3dfe h ARG 69 CO 0.62 0.14 0.00 0.39 2.80 0.00 0.00 179.97 183.92 3dfe n GLU 70 N -4.98 0.00 0.00 0.20 4.71 -1.26 -0.96 120.64 118.35 3dfe n GLU 70 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 3dfe n GLU 70 Cb 0.03 -0.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.68 3dfe n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dfe n ALA 72 N 0.32 0.00 -0.20 0.62 0.00 -1.14 -0.97 120.51 119.14 3dfe n ALA 72 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3dfe n ALA 72 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3dfe n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3dfe h GLU 73 N 0.00 1.04 -0.12 0.00 5.08 -1.36 -2.02 114.58 117.20 3dfe h GLU 73 Ca 0.00 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3dfe h GLU 73 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3dfe h GLU 73 CO 0.00 1.01 0.06 0.87 -1.00 0.00 0.00 179.01 179.95 3dfe h LYS 74 N 0.96 0.13 -0.75 2.33 1.57 -1.30 0.63 116.57 120.13 3dfe h LYS 74 Ca 0.18 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3dfe h LYS 74 Cb 0.53 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3dfe h LYS 74 CO 0.03 0.09 0.41 0.82 -0.57 0.00 0.00 179.45 180.23 3dfe h ILE 75 N 0.14 1.23 -0.28 1.86 2.04 -1.81 -1.41 117.51 119.28 3dfe h ILE 75 Ca 0.05 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3dfe h ILE 75 Cb 0.00 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3dfe h ILE 75 CO -0.03 0.25 0.08 0.00 0.00 0.00 0.00 178.15 178.45 3dfe h ALA 76 N 1.21 0.37 -0.11 1.87 0.00 -0.96 -1.29 119.26 120.35 3dfe h ALA 76 Ca 0.27 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dfe h ALA 76 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dfe h ALA 76 CO -0.04 0.02 0.05 -0.44 0.00 0.00 0.00 179.25 178.84 3dfe h ASP 77 N 0.29 0.08 -0.43 0.00 3.32 -0.77 -1.29 116.42 117.62 3dfe h ASP 77 Ca 0.09 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3dfe h ASP 77 Cb 0.27 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3dfe h ASP 77 CO -0.00 0.06 0.20 1.56 -1.72 0.00 0.00 179.24 179.34 3dfe h GLN 78 N 0.12 0.39 -0.16 3.56 4.20 -1.12 -0.67 115.11 121.42 3dfe h GLN 78 Ca 0.04 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3dfe h GLN 78 Cb 0.00 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3dfe h GLN 78 CO -0.03 0.26 -0.06 0.28 -0.67 0.00 0.00 178.83 178.61 3dfe h VAL 79 N 0.40 1.30 0.61 -0.54 2.07 -1.14 -2.51 116.25 116.44 3dfe h VAL 79 Ca 0.19 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3dfe h VAL 79 Cb 0.13 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3dfe h VAL 79 CO -0.15 0.32 -0.29 0.00 0.02 0.00 0.00 177.57 177.46 3dfe h ALA 80 N 0.69 -0.82 -0.55 1.67 0.00 -1.14 -0.01 119.26 119.11 3dfe h ALA 80 Ca 0.04 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dfe h ALA 80 Cb 0.52 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3dfe h ALA 80 CO 0.02 -0.90 0.24 0.82 0.00 0.00 0.00 179.25 179.44 3dfe h ILE 81 N -0.94 0.88 -0.09 0.00 2.04 -1.23 0.10 117.51 118.28 3dfe h ILE 81 Ca -0.08 -0.16 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 3dfe h ILE 81 Cb 0.67 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3dfe h ILE 81 CO 0.14 0.08 -0.69 0.11 0.00 0.00 0.00 178.15 177.79 3dfe h LYS 82 N 0.46 0.39 0.00 2.37 1.57 -1.41 -3.41 116.57 116.54 3dfe h LYS 82 Ca 0.26 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dfe h LYS 82 Cb 0.23 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3dfe h LYS 82 CO -0.22 0.93 -0.89 1.19 -0.57 0.00 0.00 179.45 179.90 3dfe n PHE 83 N -3.85 0.00 0.28 -1.35 3.72 -0.02 -4.83 117.46 111.40 3dfe n PHE 83 Ca -0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.53 3dfe n PHE 83 Cb 0.68 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.83 3dfe n PHE 83 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3dfe h PHE 84 N 0.00 0.00 0.00 1.38 -1.00 -0.89 0.60 116.94 117.03 3dfe h PHE 84 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3dfe h PHE 84 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3dfe h PHE 84 CO 0.00 0.00 0.00 0.25 -1.61 0.00 0.00 178.31 176.95 3dfe n THR 85 N -3.06 0.32 -0.05 -1.55 -2.24 -1.26 -3.86 114.28 102.58 3dfe n THR 85 Ca 0.01 -0.03 -0.05 0.00 -2.27 0.00 0.00 64.05 61.71 3dfe n THR 85 Cb 0.33 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 67.88 3dfe n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dfe n ASP 86 N -1.74 3.04 -4.41 3.42 9.92 -0.63 -5.09 116.55 121.07 3dfe n ASP 86 Ca 0.06 -0.02 -0.21 0.00 -0.53 0.00 0.00 54.79 54.08 3dfe n ASP 86 Cb 0.34 0.39 -0.10 0.00 -0.64 0.00 0.00 41.12 41.11 3dfe n ASP 86 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3dfe s TYR 87 N -2.20 2.01 0.42 1.24 1.51 0.20 -5.13 117.35 115.39 3dfe s TYR 87 Ca -0.08 -0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 55.31 3dfe s TYR 87 Cb 0.03 -0.90 -0.09 0.00 -0.11 0.00 0.00 41.96 40.89 3dfe s TYR 87 CO 0.30 0.54 1.02 0.00 -1.11 0.00 0.00 175.55 176.30 3dfe s ALA 88 N -2.70 3.03 0.00 3.71 0.00 -1.26 -4.32 121.76 120.22 3dfe s ALA 88 Ca 0.26 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3dfe s ALA 88 Cb -0.03 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3dfe s ALA 88 CO 0.11 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3dfe n GLY 89 N 0.02 0.90 2.88 0.00 0.00 -1.26 -3.78 105.19 103.96 3dfe n GLY 89 Ca 0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3dfe n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dfe s ILE 90 N -2.00 -0.00 -0.07 -0.61 2.07 0.03 -5.01 121.20 115.62 3dfe s ILE 90 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 3dfe s ILE 90 Cb 0.00 -0.02 0.02 0.00 0.13 0.00 0.00 42.46 42.59 3dfe s ILE 90 CO 0.00 0.00 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.36 3dfe s ILE 91 N 0.01 0.60 0.21 2.00 1.01 -1.26 -1.05 121.20 122.72 3dfe s ILE 91 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 3dfe s ILE 91 Cb -0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 3dfe s ILE 91 CO 0.00 0.27 0.21 -0.72 0.00 0.00 0.00 174.94 174.71 3dfe s TYR 92 N 1.42 0.93 -0.02 3.97 1.13 -0.41 -5.01 117.35 119.36 3dfe s TYR 92 Ca -0.03 -1.20 0.05 0.00 -1.41 0.00 0.00 57.07 54.49 3dfe s TYR 92 Cb -0.13 -0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 40.35 3dfe s TYR 92 CO -0.03 -0.72 -0.18 0.42 -2.51 0.00 0.00 175.55 172.53 3dfe s ILE 93 N -4.11 1.44 0.03 -3.49 1.01 -1.26 -0.20 121.20 114.62 3dfe s ILE 93 Ca 0.33 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 60.30 3dfe s ILE 93 Cb 0.05 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 3dfe s ILE 93 CO 0.10 0.41 -0.23 0.00 0.00 0.00 0.00 174.94 175.22 3dfe s GLU 95 N -1.01 4.55 0.05 0.00 2.02 -1.26 -0.42 118.70 122.63 3dfe s GLU 95 Ca 0.09 1.70 0.05 0.00 0.02 0.00 0.00 54.97 56.83 3dfe s GLU 95 Cb -0.09 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3dfe s GLU 95 CO 0.01 -0.02 -0.14 0.00 0.02 0.00 0.00 175.26 175.13 3dfe s ALA 96 N 0.22 1.15 -0.32 5.21 0.00 -0.30 -4.87 121.76 122.86 3dfe s ALA 96 Ca 0.52 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3dfe s ALA 96 Cb -0.29 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.76 3dfe s ALA 96 CO 0.33 0.19 0.05 -2.00 0.00 0.00 0.00 175.76 174.32 3dfe s GLU 97 N -1.44 2.41 -0.10 0.00 2.12 -1.26 -0.57 118.70 119.85 3dfe s GLU 97 Ca -0.00 -1.32 -0.30 0.00 0.36 0.00 0.00 54.97 53.71 3dfe s GLU 97 Cb -0.09 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 3dfe s GLU 97 CO 0.02 -0.69 1.02 0.08 -0.54 0.00 0.00 175.26 175.14 3dfe s VAL 98 N 1.27 4.76 -0.23 3.70 1.01 0.15 -4.88 120.40 126.17 3dfe s VAL 98 Ca -0.03 2.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 3dfe s VAL 98 Cb -0.20 -4.30 -0.18 0.00 0.00 0.00 0.00 36.38 31.69 3dfe s VAL 98 CO -0.01 0.00 -0.11 0.18 0.00 0.00 0.00 175.10 175.17 3dfe n LEU 99 N 5.03 2.79 -3.81 3.92 4.32 -1.26 -1.83 117.00 126.16 3dfe n LEU 99 Ca 0.09 -0.01 -0.12 0.00 -0.02 0.00 0.00 56.01 55.95 3dfe n LEU 99 Cb 0.49 -0.95 -0.11 0.00 -1.62 0.00 0.00 43.42 41.23 3dfe n LEU 99 CO 0.52 0.87 -0.12 -0.31 -1.22 0.00 0.00 177.39 177.14 3dfe s TYR 100 N -2.52 -0.19 0.00 -1.77 2.02 -1.26 -4.81 117.35 108.81 3dfe s TYR 100 Ca -0.33 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 3dfe s TYR 100 Cb 0.09 0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.71 3dfe s TYR 100 CO 0.62 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.84