#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 3.48 0.03 -1.46 0.00 -0.92 -4.91 119.74 115.96 3dfe s LYS 3 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 55.97 55.22 3dfe s LYS 3 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 37.83 34.86 3dfe s LYS 3 CO 0.00 0.42 1.08 1.03 0.00 0.00 0.00 175.35 177.88 3dfe s ARG 4 N -0.09 4.50 0.15 1.78 0.52 -1.26 -0.56 118.95 123.99 3dfe s ARG 4 Ca 0.04 1.58 0.01 0.00 -0.52 0.00 0.00 55.73 56.83 3dfe s ARG 4 Cb -0.13 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 3dfe s ARG 4 CO 0.02 -0.15 0.02 0.00 0.02 0.00 0.00 175.30 175.21 3dfe s ALA 5 N 1.04 1.11 -0.28 2.13 0.00 0.40 -4.94 121.76 121.21 3dfe s ALA 5 Ca 0.55 -1.52 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 3dfe s ALA 5 Cb -0.25 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 3dfe s ALA 5 CO 0.29 -0.39 0.20 -0.80 0.00 0.00 0.00 175.76 175.06 3dfe s ASN 6 N -3.11 6.03 -0.68 0.00 0.01 -1.25 -0.97 114.94 114.97 3dfe s ASN 6 Ca 0.23 -0.01 -0.18 0.00 -0.71 0.00 0.00 52.86 52.20 3dfe s ASN 6 Cb 0.07 -2.13 0.13 0.00 0.41 0.00 0.00 41.25 39.74 3dfe s ASN 6 CO 0.02 -0.06 0.75 -0.75 -1.51 0.00 0.00 177.10 175.54 3dfe s LYS 7 N 1.78 3.22 -0.07 -0.60 2.20 0.66 -1.14 119.74 125.79 3dfe s LYS 7 Ca 0.07 -1.66 -0.28 0.00 -0.36 0.00 0.00 55.97 53.75 3dfe s LYS 7 Cb -0.16 -4.39 -0.02 0.00 -1.51 0.00 0.00 37.83 31.74 3dfe s LYS 7 CO 0.11 -1.50 0.90 -1.17 -0.36 0.00 0.00 175.35 173.33 3dfe s LEU 8 N 2.03 4.29 -0.08 5.43 2.96 0.09 -0.92 118.68 132.49 3dfe s LEU 8 Ca 0.14 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.51 3dfe s LEU 8 Cb -0.20 -3.40 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3dfe s LEU 8 CO 0.01 -0.30 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.88 3dfe s VAL 9 N 1.44 2.87 -0.16 1.68 1.01 0.14 -1.29 120.40 126.09 3dfe s VAL 9 Ca 0.45 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3dfe s VAL 9 Cb -0.19 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.08 3dfe s VAL 9 CO 0.20 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 175.16 3dfe s ILE 10 N -0.20 1.21 -0.18 2.22 1.01 -0.76 -1.21 121.20 123.29 3dfe s ILE 10 Ca -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3dfe s ILE 10 Cb -0.13 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3dfe s ILE 10 CO 0.03 0.20 -0.05 -0.69 0.00 0.00 0.00 174.94 174.43 3dfe s VAL 11 N 1.60 3.58 0.18 2.92 1.01 0.52 -0.55 120.40 129.65 3dfe s VAL 11 Ca 0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3dfe s VAL 11 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.67 3dfe s VAL 11 CO -0.08 0.47 0.31 1.07 0.00 0.00 0.00 175.10 176.86 3dfe n THR 12 N 4.02 0.00 -2.33 3.92 5.66 -0.73 -0.35 114.28 124.47 3dfe n THR 12 Ca -0.18 -0.63 -0.38 0.00 -3.05 0.00 0.00 64.05 59.81 3dfe n THR 12 Cb 0.52 0.49 -0.02 0.00 -1.55 0.00 0.00 70.33 69.77 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 -2.19 4.02 0.44 1.09 2.02 -1.24 -0.06 118.70 122.77 3dfe s GLU 13 Ca 0.10 1.77 0.11 0.00 0.02 0.00 0.00 54.97 56.97 3dfe s GLU 13 Cb -0.01 -2.61 0.99 0.00 0.10 0.00 0.00 34.13 32.60 3dfe s GLU 13 CO 0.07 -0.33 2.04 -0.22 0.02 0.00 0.00 175.26 176.84 3dfe h LYS 14 N 2.51 0.40 -0.18 1.61 3.64 -1.36 -2.24 116.57 120.95 3dfe h LYS 14 Ca -0.49 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 3dfe h LYS 14 Cb 1.23 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3dfe h LYS 14 CO 0.62 0.27 0.22 -0.39 -2.27 0.00 0.00 179.45 177.89 3dfe h VAL 15 N 0.42 0.42 -0.41 2.00 -1.51 -1.92 -0.83 116.25 114.41 3dfe h VAL 15 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 3dfe h VAL 15 Cb 0.21 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3dfe h VAL 15 CO -0.05 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.47 3dfe n LEU 16 N -3.71 2.42 0.08 4.19 4.77 -0.84 -4.57 117.00 119.34 3dfe n LEU 16 Ca 0.02 -1.21 -0.12 0.00 -0.03 0.00 0.00 56.01 54.66 3dfe n LEU 16 Cb 0.33 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3dfe n LEU 16 CO 0.26 0.55 0.66 0.25 -1.33 0.00 0.00 177.39 177.78 3dfe h LEU 17 N 2.44 -0.90 -0.48 2.23 6.46 -1.30 0.10 115.31 123.86 3dfe h LEU 17 Ca 0.00 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3dfe h LEU 17 Cb 0.65 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 3dfe h LEU 17 CO 0.03 -0.38 0.25 0.11 -0.62 0.00 0.00 178.44 177.83 3dfe h LYS 18 N -0.49 0.68 -0.28 1.25 1.57 -1.84 0.47 116.57 117.95 3dfe h LYS 18 Ca 0.05 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3dfe h LYS 18 Cb 0.55 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3dfe h LYS 18 CO -0.22 0.56 0.12 0.87 -0.57 0.00 0.00 179.45 180.20 3dfe h LYS 19 N 0.64 0.41 -0.35 3.15 6.56 -1.79 -0.87 116.57 124.33 3dfe h LYS 19 Ca 0.17 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 59.52 3dfe h LYS 19 Cb 0.08 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.67 3dfe h LYS 19 CO -0.02 0.43 -0.43 0.28 -2.06 0.00 0.00 179.45 177.64 3dfe h VAL 20 N 0.30 1.28 -0.80 0.50 2.07 -0.76 -2.84 116.25 115.99 3dfe h VAL 20 Ca 0.09 -1.61 0.06 0.00 0.82 0.00 0.00 66.70 66.07 3dfe h VAL 20 Cb 0.17 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3dfe h VAL 20 CO -0.01 0.53 0.49 0.00 0.02 0.00 0.00 177.57 178.60 3dfe h ALA 21 N 0.79 1.10 -0.85 1.67 0.00 -0.67 -1.68 119.26 119.63 3dfe h ALA 21 Ca 0.05 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dfe h ALA 21 Cb 1.02 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3dfe h ALA 21 CO 0.10 0.21 0.54 -0.22 0.00 0.00 0.00 179.25 179.89 3dfe h LYS 22 N 0.89 1.01 -0.32 0.00 1.63 -0.99 -1.15 116.57 117.65 3dfe h LYS 22 Ca 0.35 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.95 3dfe h LYS 22 Cb 0.18 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3dfe h LYS 22 CO -0.17 0.67 -0.37 0.82 -3.45 0.00 0.00 179.45 176.94 3dfe h ILE 23 N 1.04 1.29 0.61 2.00 2.04 -1.17 -0.18 117.51 123.13 3dfe h ILE 23 Ca 0.34 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 3dfe h ILE 23 Cb 0.04 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3dfe h ILE 23 CO -0.13 0.50 -0.32 0.40 0.00 0.00 0.00 178.15 178.61 3dfe h ILE 24 N 0.61 0.35 0.09 -0.67 2.04 -0.89 -0.84 117.51 118.20 3dfe h ILE 24 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3dfe h ILE 24 Cb 0.91 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3dfe h ILE 24 CO 0.08 0.00 -0.25 -0.33 0.00 0.00 0.00 178.15 177.66 3dfe h GLU 25 N -0.86 -0.42 0.00 2.37 5.08 -1.16 -2.18 114.58 117.42 3dfe h GLU 25 Ca -0.08 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3dfe h GLU 25 Cb 0.67 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3dfe h GLU 25 CO 0.12 -0.28 -0.00 0.93 -1.00 0.00 0.00 179.01 178.78 3dfe h GLU 26 N -0.43 0.00 0.00 2.33 5.08 -1.02 0.32 114.58 120.86 3dfe h GLU 26 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3dfe h GLU 26 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3dfe h GLU 26 CO -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.85 3dfe h ALA 27 N 2.00 1.00 0.00 3.43 0.00 -0.55 -3.46 119.26 121.68 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dfe h ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3dfe n GLY 28 N 0.56 0.96 3.59 0.00 0.00 0.11 -5.06 105.19 105.35 3dfe n GLY 28 Ca 0.03 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 3dfe n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfe n ALA 29 N -1.78 -0.22 0.11 4.61 0.00 -0.90 -4.87 120.51 117.45 3dfe n ALA 29 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 3dfe n ALA 29 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 19.45 17.43 3dfe n ALA 29 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3dfe h THR 30 N 2.07 1.33 -1.28 0.00 1.35 -1.90 -3.45 112.91 111.03 3dfe h THR 30 Ca -0.40 -2.69 0.32 0.00 -0.55 0.00 0.00 66.41 63.09 3dfe h THR 30 Cb 1.34 2.53 -0.17 0.00 -1.73 0.00 0.00 68.15 70.12 3dfe h THR 30 CO 0.62 0.72 0.89 -0.83 -0.25 0.00 0.00 175.52 176.66 3dfe s GLY 31 N -4.56 -0.34 0.11 5.82 0.00 -1.26 -5.15 107.32 101.94 3dfe s GLY 31 Ca 0.01 1.34 -0.09 0.00 0.00 0.00 0.00 44.72 45.99 3dfe s GLY 31 CO 0.78 0.39 0.21 -2.52 0.00 0.00 0.00 173.10 171.96 3dfe s TYR 32 N -2.26 0.24 0.08 1.90 -0.85 -1.26 -4.34 117.35 110.86 3dfe s TYR 32 Ca 0.12 -0.65 0.06 0.00 -0.52 0.00 0.00 57.07 56.09 3dfe s TYR 32 Cb 0.02 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 3dfe s TYR 32 CO -0.04 -0.59 -0.11 0.99 -1.52 0.00 0.00 175.55 174.28 3dfe s THR 33 N -3.90 3.34 -0.03 -3.49 2.01 -0.09 -4.97 115.64 108.52 3dfe s THR 33 Ca 0.09 -1.19 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 3dfe s THR 33 Cb 0.04 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3dfe s THR 33 CO -0.08 0.18 0.07 0.54 -0.69 0.00 0.00 174.62 174.65 3dfe s VAL 34 N -1.15 -0.04 0.13 3.82 0.11 -1.26 -1.42 120.40 120.60 3dfe s VAL 34 Ca 0.20 0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.47 3dfe s VAL 34 Cb -0.11 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3dfe s VAL 34 CO 0.12 0.06 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.11 3dfe s VAL 35 N 0.86 1.48 0.15 2.04 1.01 -0.68 -4.94 120.40 120.32 3dfe s VAL 35 Ca -0.07 -1.75 -0.20 0.00 0.00 0.00 0.00 61.98 59.96 3dfe s VAL 35 Cb -0.10 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 3dfe s VAL 35 CO -0.03 -0.36 0.65 -1.81 0.00 0.00 0.00 175.10 173.55 3dfe s ASP 36 N -2.45 7.09 0.02 3.32 1.11 -1.26 -1.16 116.67 123.34 3dfe s ASP 36 Ca 0.10 1.35 -0.03 0.00 0.18 0.00 0.00 52.55 54.16 3dfe s ASP 36 Cb -0.06 -2.39 -0.01 0.00 1.07 0.00 0.00 42.92 41.53 3dfe s ASP 36 CO 0.04 0.17 0.04 0.42 1.18 0.00 0.00 175.17 177.01 3dfe s THR 37 N -1.29 0.12 0.26 -1.27 -4.23 -0.94 -4.88 115.64 103.41 3dfe s THR 37 Ca 0.36 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 3dfe s THR 37 Cb -0.19 -0.52 0.04 0.00 1.34 0.00 0.00 72.50 73.18 3dfe s THR 37 CO 0.21 -0.53 0.35 0.61 -0.54 0.00 0.00 174.62 174.72 3dfe n GLY 38 N 1.29 2.02 0.00 3.99 0.00 -1.26 -1.62 105.19 109.61 3dfe n GLY 38 Ca -0.22 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.62 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 1.80 1.19 3.11 -0.02 0.00 -1.26 -4.89 105.19 105.12 3dfe n GLY 39 Ca 0.07 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3dfe n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dfe n SER 58 N 0.00 -4.53 -4.82 1.61 2.88 -1.21 -5.30 113.62 102.25 3dfe n SER 58 Ca 0.00 -0.27 -0.26 0.00 -1.33 0.00 0.00 58.87 57.01 3dfe n SER 58 Cb 0.00 -3.73 -0.04 0.00 -0.75 0.00 0.00 64.21 59.69 3dfe n SER 58 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3dfe s ASN 59 N -2.60 4.55 0.00 -3.46 0.01 -0.64 -1.15 114.94 111.65 3dfe s ASN 59 Ca 0.31 -1.17 0.01 0.00 -0.71 0.00 0.00 52.86 51.29 3dfe s ASN 59 Cb -0.15 -0.02 -0.01 0.00 0.41 0.00 0.00 41.25 41.48 3dfe s ASN 59 CO 0.38 -0.82 -0.04 0.54 -1.51 0.00 0.00 177.10 175.65 3dfe s VAL 60 N -2.69 0.28 -0.23 1.60 0.11 0.91 -2.21 120.40 118.17 3dfe s VAL 60 Ca 0.35 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3dfe s VAL 60 Cb 0.00 -0.27 0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3dfe s VAL 60 CO 0.20 -0.03 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.07 3dfe s LYS 61 N -0.38 2.61 0.08 1.54 2.20 -0.31 -1.77 119.74 123.72 3dfe s LYS 61 Ca -0.02 -1.10 -0.17 0.00 -0.36 0.00 0.00 55.97 54.32 3dfe s LYS 61 Cb -0.03 -2.82 -0.07 0.00 -1.51 0.00 0.00 37.83 33.41 3dfe s LYS 61 CO -0.00 -0.42 0.54 -0.06 -0.36 0.00 0.00 175.35 175.04 3dfe s PHE 62 N 1.21 3.73 -0.04 4.03 0.40 0.28 -1.68 117.98 125.92 3dfe s PHE 62 Ca -0.02 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.50 3dfe s PHE 62 Cb -0.17 -2.42 -0.00 0.00 0.51 0.00 0.00 43.02 40.94 3dfe s PHE 62 CO -0.07 0.55 -0.14 -1.21 0.70 0.00 0.00 175.22 175.05 3dfe s GLU 63 N -1.37 1.42 -0.06 0.44 2.02 -0.50 -1.83 118.70 118.82 3dfe s GLU 63 Ca 0.31 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 3dfe s GLU 63 Cb -0.18 -1.27 0.03 0.00 0.10 0.00 0.00 34.13 32.82 3dfe s GLU 63 CO 0.18 0.19 0.08 0.08 0.02 0.00 0.00 175.26 175.80 3dfe s VAL 64 N 0.11 -0.13 -0.50 2.63 1.01 -0.41 -0.91 120.40 122.20 3dfe s VAL 64 Ca -0.04 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 3dfe s VAL 64 Cb -0.10 -0.20 0.04 0.00 0.00 0.00 0.00 36.38 36.11 3dfe s VAL 64 CO 0.01 0.14 0.77 -0.76 0.00 0.00 0.00 175.10 175.26 3dfe s LEU 65 N 2.18 4.45 0.37 3.92 1.43 -1.26 -0.73 118.68 129.04 3dfe s LEU 65 Ca 0.05 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3dfe s LEU 65 Cb -0.12 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 3dfe s LEU 65 CO -0.04 -1.00 0.55 0.42 0.23 0.00 0.00 176.35 176.52 3dfe s THR 66 N 3.26 4.60 0.01 5.49 -4.23 -0.29 -4.83 115.64 119.65 3dfe s THR 66 Ca 0.25 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 60.02 3dfe s THR 66 Cb -0.15 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 69.97 3dfe s THR 66 CO 0.18 -0.40 0.96 -0.33 -0.54 0.00 0.00 174.62 174.49 3dfe h GLU 67 N 0.71 -0.39 -5.34 3.99 4.39 -1.95 -3.34 114.58 112.65 3dfe h GLU 67 Ca -0.48 0.03 -0.56 0.00 0.34 0.00 0.00 59.36 58.69 3dfe h GLU 67 Cb 1.24 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.84 3dfe h GLU 67 CO 0.59 -0.26 -0.58 0.54 -1.16 0.00 0.00 179.01 178.13 3dfe s ASN 68 N -2.99 3.12 0.12 1.42 2.20 -1.26 -4.73 114.94 112.82 3dfe s ASN 68 Ca -0.06 -1.44 -0.27 0.00 -0.94 0.00 0.00 52.86 50.15 3dfe s ASN 68 Cb 0.01 -0.05 -0.07 0.00 -2.00 0.00 0.00 41.25 39.14 3dfe s ASN 68 CO 0.18 -0.62 1.63 -0.09 -2.94 0.00 0.00 177.10 175.26 3dfe h ARG 69 N 1.87 -0.45 0.00 3.55 9.65 -1.98 -2.86 114.38 124.16 3dfe h ARG 69 Ca -0.42 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 3dfe h ARG 69 Cb 1.25 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 3dfe h ARG 69 CO 0.72 -0.30 0.00 -1.91 2.80 0.00 0.00 179.97 181.29 3dfe n GLU 70 N -5.39 0.00 0.00 0.20 0.00 -1.26 -1.41 120.64 112.79 3dfe n GLU 70 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 3dfe n GLU 70 Cb 0.30 -0.55 0.00 0.00 0.00 0.00 0.00 31.44 31.19 3dfe n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dfe n ALA 72 N 0.00 0.00 -0.21 4.31 0.00 -1.08 -1.01 120.51 122.52 3dfe n ALA 72 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3dfe n ALA 72 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 1.08 -0.14 0.00 5.08 -1.54 -1.43 114.58 117.63 3dfe h GLU 73 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3dfe h GLU 73 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3dfe h GLU 73 CO 0.00 1.06 0.10 0.87 -1.00 0.00 0.00 179.01 180.04 3dfe h LYS 74 N 0.98 0.19 -0.62 2.33 1.57 -1.32 0.31 116.57 120.01 3dfe h LYS 74 Ca 0.17 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3dfe h LYS 74 Cb 0.59 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3dfe h LYS 74 CO 0.04 0.13 0.26 0.82 -0.57 0.00 0.00 179.45 180.12 3dfe h ILE 75 N 0.19 1.22 0.00 1.86 2.04 -1.76 -2.44 117.51 118.63 3dfe h ILE 75 Ca 0.05 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 3dfe h ILE 75 Cb -0.02 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3dfe h ILE 75 CO -0.01 0.27 -0.00 0.00 0.00 0.00 0.00 178.15 178.40 3dfe h ALA 76 N 1.40 -0.00 -0.70 1.87 0.00 -0.84 -1.84 119.26 119.14 3dfe h ALA 76 Ca 0.21 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dfe h ALA 76 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3dfe h ALA 76 CO -0.02 -0.38 0.44 -0.44 0.00 0.00 0.00 179.25 178.85 3dfe h ASP 77 N -0.25 0.73 -0.19 0.00 3.32 -0.84 -1.37 116.42 117.82 3dfe h ASP 77 Ca -0.00 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3dfe h ASP 77 Cb 0.25 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3dfe h ASP 77 CO 0.00 0.51 -0.13 1.56 -1.72 0.00 0.00 179.24 179.46 3dfe h GLN 78 N 0.87 0.43 -0.34 3.56 4.20 -1.42 -0.00 115.11 122.41 3dfe h GLN 78 Ca 0.28 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3dfe h GLN 78 Cb -0.01 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3dfe h GLN 78 CO -0.10 0.75 0.22 0.28 -0.67 0.00 0.00 178.83 179.32 3dfe h VAL 79 N 0.10 1.09 0.40 -0.54 2.07 -1.25 -1.09 116.25 117.04 3dfe h VAL 79 Ca 0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3dfe h VAL 79 Cb 0.65 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3dfe h VAL 79 CO 0.04 0.09 -0.19 0.00 0.02 0.00 0.00 177.57 177.52 3dfe h ALA 80 N 1.12 -0.53 -0.70 1.67 0.00 -1.20 -0.58 119.26 119.03 3dfe h ALA 80 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dfe h ALA 80 Cb -0.05 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3dfe h ALA 80 CO -0.03 -0.66 0.43 0.82 0.00 0.00 0.00 179.25 179.81 3dfe h ILE 81 N -0.81 1.07 -0.01 0.00 2.04 -1.03 0.66 117.51 119.44 3dfe h ILE 81 Ca -0.05 -0.28 -0.20 0.00 1.00 0.00 0.00 64.86 65.32 3dfe h ILE 81 Cb 0.54 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3dfe h ILE 81 CO 0.09 0.15 -0.86 0.11 0.00 0.00 0.00 178.15 177.64 3dfe h LYS 82 N 0.83 0.25 0.00 2.37 1.79 -1.20 -3.42 116.57 117.20 3dfe h LYS 82 Ca 0.29 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3dfe h LYS 82 Cb 0.06 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3dfe h LYS 82 CO -0.13 0.97 -0.81 1.19 -1.08 0.00 0.00 179.45 179.59 3dfe n PHE 83 N -3.70 0.00 0.93 -1.35 3.72 -0.23 -4.83 117.46 112.00 3dfe n PHE 83 Ca -0.04 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.45 3dfe n PHE 83 Cb 0.79 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.82 3dfe n PHE 83 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3dfe n PHE 84 N -1.24 0.00 0.16 1.38 3.01 0.21 -0.92 117.46 120.07 3dfe n PHE 84 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 3dfe n PHE 84 Cb 0.02 -0.26 0.08 0.00 -0.01 0.00 0.00 39.48 39.31 3dfe n PHE 84 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dfe h THR 85 N 0.00 0.18 0.00 4.37 1.35 -1.86 -3.39 112.91 113.56 3dfe h THR 85 Ca 0.00 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3dfe h THR 85 Cb 0.17 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3dfe h THR 85 CO 0.00 0.10 -1.10 0.47 -0.25 0.00 0.00 175.52 174.74 3dfe n ASP 86 N -2.99 4.00 -4.21 5.36 8.00 -0.76 -5.04 116.55 120.90 3dfe n ASP 86 Ca 0.02 -0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.26 3dfe n ASP 86 Cb 0.59 1.15 -0.13 0.00 -0.02 0.00 0.00 41.12 42.71 3dfe n ASP 86 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dfe s TYR 87 N -2.19 1.52 0.50 1.24 1.51 -0.09 -5.13 117.35 114.71 3dfe s TYR 87 Ca -0.01 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.45 3dfe s TYR 87 Cb 0.02 -0.87 -0.07 0.00 -0.11 0.00 0.00 41.96 40.93 3dfe s TYR 87 CO 0.14 0.10 1.08 0.00 -1.11 0.00 0.00 175.55 175.76 3dfe s ALA 88 N -1.01 2.82 0.00 3.71 0.00 -1.26 -4.33 121.76 121.69 3dfe s ALA 88 Ca 0.04 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3dfe s ALA 88 Cb -0.09 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3dfe s ALA 88 CO 0.02 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.69 3dfe n GLY 89 N -0.01 0.81 3.03 0.00 0.00 -1.26 -3.64 105.19 104.13 3dfe n GLY 89 Ca 0.10 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 0.07 -0.03 -0.61 2.07 0.52 -5.00 121.20 116.23 3dfe s ILE 90 Ca 0.00 -0.62 -0.01 0.00 -1.41 0.00 0.00 60.65 58.62 3dfe s ILE 90 Cb 0.00 -0.31 0.03 0.00 0.13 0.00 0.00 42.46 42.31 3dfe s ILE 90 CO 0.00 -0.34 0.04 -0.63 -1.91 0.00 0.00 174.94 172.09 3dfe s ILE 91 N -1.11 -0.05 0.16 2.00 1.01 -1.26 -0.36 121.20 121.60 3dfe s ILE 91 Ca -0.12 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 3dfe s ILE 91 Cb -0.07 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 3dfe s ILE 91 CO 0.00 0.12 0.19 -0.72 0.00 0.00 0.00 174.94 174.54 3dfe s TYR 92 N 1.40 0.67 -0.04 3.97 1.13 -0.35 -5.00 117.35 119.13 3dfe s TYR 92 Ca -0.05 -1.02 0.06 0.00 -1.41 0.00 0.00 57.07 54.65 3dfe s TYR 92 Cb -0.13 -0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.46 3dfe s TYR 92 CO -0.03 -0.66 -0.23 0.42 -2.51 0.00 0.00 175.55 172.54 3dfe s ILE 93 N -4.03 1.88 -0.02 -3.49 1.01 -1.26 0.26 121.20 115.56 3dfe s ILE 93 Ca 0.23 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.97 3dfe s ILE 93 Cb 0.05 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3dfe s ILE 93 CO 0.03 0.53 -0.23 0.00 0.00 0.00 0.00 174.94 175.27 3dfe s GLU 95 N -0.55 4.39 0.04 0.00 0.41 -1.26 -0.25 118.70 121.49 3dfe s GLU 95 Ca 0.09 1.82 0.06 0.00 -0.41 0.00 0.00 54.97 56.53 3dfe s GLU 95 Cb -0.09 -3.38 -0.02 0.00 -1.78 0.00 0.00 34.13 28.86 3dfe s GLU 95 CO -0.01 -0.33 -0.17 0.00 -0.49 0.00 0.00 175.26 174.26 3dfe s ALA 96 N 1.32 1.44 -0.33 5.21 0.00 -0.15 -4.90 121.76 124.36 3dfe s ALA 96 Ca 0.60 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 3dfe s ALA 96 Cb -0.30 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.62 3dfe s ALA 96 CO 0.28 0.30 0.06 -2.00 0.00 0.00 0.00 175.76 174.40 3dfe s GLU 97 N -1.18 2.42 -0.04 0.00 2.12 -1.26 -0.46 118.70 120.31 3dfe s GLU 97 Ca 0.04 -1.33 -0.30 0.00 0.36 0.00 0.00 54.97 53.75 3dfe s GLU 97 Cb -0.08 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3dfe s GLU 97 CO 0.02 -0.70 1.03 0.08 -0.54 0.00 0.00 175.26 175.14 3dfe s VAL 98 N 1.28 4.72 -0.26 3.70 1.01 0.28 -4.89 120.40 126.24 3dfe s VAL 98 Ca -0.02 1.97 -0.09 0.00 0.00 0.00 0.00 61.98 63.84 3dfe s VAL 98 Cb -0.20 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.79 3dfe s VAL 98 CO -0.00 0.09 -0.31 0.18 0.00 0.00 0.00 175.10 175.05 3dfe n LEU 99 N 4.42 2.20 -4.17 3.92 4.32 -1.26 -2.15 117.00 124.27 3dfe n LEU 99 Ca 0.08 0.19 -0.14 0.00 -0.02 0.00 0.00 56.01 56.12 3dfe n LEU 99 Cb 0.49 -0.81 -0.11 0.00 -1.62 0.00 0.00 43.42 41.37 3dfe n LEU 99 CO 0.53 0.66 -0.42 -0.31 -1.22 0.00 0.00 177.39 176.63 3dfe s TYR 100 N -2.49 1.05 0.00 -1.77 2.02 -1.26 -4.95 117.35 109.95 3dfe s TYR 100 Ca -0.36 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 55.69 3dfe s TYR 100 Cb 0.13 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 41.11 3dfe s TYR 100 CO 0.50 -0.00 0.00 0.41 -1.57 0.00 0.00 175.55 174.89