#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 1.55 0.14 4.33 2.47 -0.67 -4.95 119.74 122.60 3dfe s LYS 3 Ca 0.00 -0.53 -0.30 0.00 -1.56 0.00 0.00 55.97 53.58 3dfe s LYS 3 Cb 0.00 -1.37 -0.07 0.00 -1.46 0.00 0.00 37.83 34.93 3dfe s LYS 3 CO 0.00 0.21 1.21 1.03 0.16 0.00 0.00 175.35 177.96 3dfe s ARG 4 N 0.07 4.46 0.15 4.03 1.81 -1.26 -0.44 118.95 127.77 3dfe s ARG 4 Ca -0.03 1.85 -0.02 0.00 -1.72 0.00 0.00 55.73 55.81 3dfe s ARG 4 Cb -0.11 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.08 3dfe s ARG 4 CO 0.02 -0.16 0.09 0.00 -0.68 0.00 0.00 175.30 174.57 3dfe s ALA 5 N 0.37 0.86 -0.23 2.13 0.00 0.39 -4.91 121.76 120.37 3dfe s ALA 5 Ca 0.55 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 3dfe s ALA 5 Cb -0.32 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 3dfe s ALA 5 CO 0.34 -0.53 0.24 -0.80 0.00 0.00 0.00 175.76 175.01 3dfe s ASN 6 N -3.07 6.22 -0.50 0.00 0.01 -1.25 -1.39 114.94 114.96 3dfe s ASN 6 Ca 0.27 0.24 -0.16 0.00 -0.71 0.00 0.00 52.86 52.50 3dfe s ASN 6 Cb 0.07 -2.15 0.09 0.00 0.41 0.00 0.00 41.25 39.67 3dfe s ASN 6 CO 0.04 0.02 0.46 -0.75 -1.51 0.00 0.00 177.10 175.37 3dfe s LYS 7 N 1.12 3.00 -0.12 -0.60 2.20 0.54 -1.21 119.74 124.66 3dfe s LYS 7 Ca 0.11 -1.41 -0.25 0.00 -0.36 0.00 0.00 55.97 54.06 3dfe s LYS 7 Cb -0.14 -4.19 -0.02 0.00 -1.51 0.00 0.00 37.83 31.97 3dfe s LYS 7 CO 0.05 -1.16 0.79 -1.17 -0.36 0.00 0.00 175.35 173.50 3dfe s LEU 8 N 1.77 4.24 -0.13 5.43 2.96 0.46 -0.90 118.68 132.51 3dfe s LEU 8 Ca 0.05 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.18 3dfe s LEU 8 Cb -0.25 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 3dfe s LEU 8 CO 0.06 -0.28 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.96 3dfe s VAL 9 N 1.56 2.77 -0.21 1.68 1.01 0.13 -1.06 120.40 126.29 3dfe s VAL 9 Ca 0.39 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3dfe s VAL 9 Cb -0.17 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.09 3dfe s VAL 9 CO 0.16 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.98 3dfe s ILE 10 N 0.50 2.09 -0.20 2.22 1.01 -0.63 -1.07 121.20 125.13 3dfe s ILE 10 Ca -0.10 -1.17 -0.03 0.00 0.00 0.00 0.00 60.65 59.35 3dfe s ILE 10 Cb -0.16 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3dfe s ILE 10 CO 0.04 0.35 -0.07 -0.69 0.00 0.00 0.00 174.94 174.58 3dfe s VAL 11 N 1.23 3.30 0.14 2.92 1.01 0.10 -0.35 120.40 128.75 3dfe s VAL 11 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3dfe s VAL 11 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.76 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 4.45 0.00 -2.50 3.92 5.66 -0.67 -0.53 114.28 124.60 3dfe n THR 12 Ca -0.18 -0.63 -0.39 0.00 -3.05 0.00 0.00 64.05 59.79 3dfe n THR 12 Cb 0.51 0.43 -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 -2.25 4.48 0.50 1.09 2.02 -1.24 -0.33 118.70 122.97 3dfe s GLU 13 Ca 0.10 1.70 0.17 0.00 0.02 0.00 0.00 54.97 56.96 3dfe s GLU 13 Cb -0.01 -2.97 1.21 0.00 0.10 0.00 0.00 34.13 32.47 3dfe s GLU 13 CO 0.07 0.09 2.08 -0.22 0.02 0.00 0.00 175.26 177.31 3dfe h LYS 14 N 3.37 0.12 -0.25 1.61 3.64 -1.75 -1.76 116.57 121.54 3dfe h LYS 14 Ca -0.47 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.97 3dfe h LYS 14 Cb 1.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3dfe h LYS 14 CO 0.65 0.08 0.26 -0.39 -2.27 0.00 0.00 179.45 177.79 3dfe h VAL 15 N 0.13 0.49 -0.27 2.00 -1.51 -1.92 -1.46 116.25 113.72 3dfe h VAL 15 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 3dfe h VAL 15 Cb 0.29 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 3dfe h VAL 15 CO -0.01 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.51 3dfe n LEU 16 N -3.86 1.89 -0.01 4.19 4.77 -0.66 -4.55 117.00 118.76 3dfe n LEU 16 Ca 0.03 -0.86 -0.09 0.00 -0.03 0.00 0.00 56.01 55.06 3dfe n LEU 16 Cb 0.40 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3dfe n LEU 16 CO 0.29 0.43 0.77 0.25 -1.33 0.00 0.00 177.39 177.80 3dfe h LEU 17 N 2.30 -0.41 -0.42 2.23 6.46 -1.41 0.70 115.31 124.76 3dfe h LEU 17 Ca 0.00 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 3dfe h LEU 17 Cb 0.51 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 3dfe h LEU 17 CO 0.00 -0.17 0.05 0.11 -0.62 0.00 0.00 178.44 177.81 3dfe h LYS 18 N -0.15 0.70 -0.33 1.25 6.56 -1.84 -0.56 116.57 122.21 3dfe h LYS 18 Ca 0.10 -0.20 -0.03 0.00 -1.06 0.00 0.00 60.65 59.46 3dfe h LYS 18 Cb 0.29 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 3dfe h LYS 18 CO -0.23 0.75 0.10 0.87 -2.06 0.00 0.00 179.45 178.88 3dfe h LYS 19 N 0.55 0.51 -0.43 3.15 6.56 -1.78 -1.80 116.57 123.33 3dfe h LYS 19 Ca 0.12 -0.11 -0.13 0.00 -1.06 0.00 0.00 60.65 59.48 3dfe h LYS 19 Cb 0.41 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 3dfe h LYS 19 CO 0.01 0.54 -0.25 0.28 -2.06 0.00 0.00 179.45 177.98 3dfe h VAL 20 N 0.37 1.27 -0.92 0.50 2.07 -0.84 -2.67 116.25 116.04 3dfe h VAL 20 Ca 0.11 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.27 3dfe h VAL 20 Cb 0.25 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3dfe h VAL 20 CO -0.00 0.47 0.59 0.00 0.02 0.00 0.00 177.57 178.65 3dfe h ALA 21 N 0.95 1.22 -0.81 1.67 0.00 -0.99 -1.59 119.26 119.71 3dfe h ALA 21 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dfe h ALA 21 Cb 0.80 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3dfe h ALA 21 CO 0.07 0.43 0.48 1.57 0.00 0.00 0.00 179.25 181.79 3dfe h LYS 22 N 1.12 1.12 -0.50 0.00 2.10 -1.10 -1.71 116.57 117.60 3dfe h LYS 22 Ca 0.37 -0.11 -0.04 0.00 -2.00 0.00 0.00 60.65 58.87 3dfe h LYS 22 Cb 0.05 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 31.13 3dfe h LYS 22 CO -0.13 0.80 0.16 0.82 -2.00 0.00 0.00 179.45 179.10 3dfe h ILE 23 N 1.12 1.23 0.26 0.07 2.04 -1.08 0.37 117.51 121.52 3dfe h ILE 23 Ca 0.29 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3dfe h ILE 23 Cb -0.02 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3dfe h ILE 23 CO -0.05 0.28 -0.12 0.40 0.00 0.00 0.00 178.15 178.65 3dfe h ILE 24 N 0.68 0.75 -0.10 -0.67 2.04 -1.09 -1.04 117.51 118.09 3dfe h ILE 24 Ca 0.16 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3dfe h ILE 24 Cb 0.27 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3dfe h ILE 24 CO -0.01 0.01 0.02 -0.33 0.00 0.00 0.00 178.15 177.84 3dfe h GLU 25 N -0.38 0.06 0.00 2.37 5.08 -1.24 -2.35 114.58 118.12 3dfe h GLU 25 Ca -0.04 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3dfe h GLU 25 Cb 0.29 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3dfe h GLU 25 CO 0.06 0.04 -0.08 0.93 -1.00 0.00 0.00 179.01 178.96 3dfe h GLU 26 N 0.06 0.00 0.00 2.33 5.08 -0.86 -1.19 114.58 120.00 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 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3dfe h GLU 26 CO -0.06 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 3dfe h ALA 27 N 1.92 1.00 0.00 3.43 0.00 -0.69 -3.47 119.26 121.46 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 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 0.37 1.08 3.75 0.00 0.00 -0.45 -5.06 105.19 104.88 3dfe n GLY 28 Ca 0.02 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 -0.37 4.61 0.00 -0.94 -4.87 121.76 121.89 3dfe s ALA 29 Ca 0.00 1.55 0.25 0.00 0.00 0.00 0.00 51.96 53.76 3dfe s ALA 29 Cb 0.00 -3.64 0.50 0.00 0.00 0.00 0.00 23.12 19.98 3dfe s ALA 29 CO 0.00 -0.97 1.67 1.79 0.00 0.00 0.00 175.76 178.24 3dfe h THR 30 N 3.35 0.00 -1.17 0.00 1.35 -1.90 -3.44 112.91 111.10 3dfe h THR 30 Ca -0.47 -0.92 0.34 0.00 -0.55 0.00 0.00 66.41 64.81 3dfe h THR 30 Cb 1.22 1.92 -0.16 0.00 -1.73 0.00 0.00 68.15 69.40 3dfe h THR 30 CO 0.77 0.00 0.93 -0.83 -0.25 0.00 0.00 175.52 176.15 3dfe s GLY 31 N -4.19 -0.37 0.14 5.82 0.00 -1.26 -5.17 107.32 102.29 3dfe s GLY 31 Ca 0.06 1.28 -0.19 0.00 0.00 0.00 0.00 44.72 45.87 3dfe s GLY 31 CO 0.65 0.35 0.48 -2.52 0.00 0.00 0.00 173.10 172.07 3dfe s TYR 32 N -2.16 -0.35 0.02 1.90 -0.85 -1.26 -4.47 117.35 110.19 3dfe s TYR 32 Ca 0.13 0.09 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 3dfe s TYR 32 Cb 0.03 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 3dfe s TYR 32 CO -0.05 -0.76 -0.09 0.99 -1.52 0.00 0.00 175.55 174.12 3dfe s THR 33 N -3.72 3.43 -0.02 -3.49 2.01 -0.19 -4.97 115.64 108.68 3dfe s THR 33 Ca 0.02 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 3dfe s THR 33 Cb 0.01 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 70.04 3dfe s THR 33 CO -0.12 0.35 0.05 0.54 -0.69 0.00 0.00 174.62 174.74 3dfe s VAL 34 N -1.01 -0.04 0.05 3.82 0.11 -1.26 -0.88 120.40 121.19 3dfe s VAL 34 Ca 0.17 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 3dfe s VAL 34 Cb -0.11 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 3dfe s VAL 34 CO 0.08 0.06 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.11 3dfe s VAL 35 N 0.81 0.83 0.12 2.04 1.01 -0.47 -4.95 120.40 119.78 3dfe s VAL 35 Ca -0.07 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.55 3dfe s VAL 35 Cb -0.09 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 3dfe s VAL 35 CO -0.03 -0.25 0.75 -1.81 0.00 0.00 0.00 175.10 173.77 3dfe s ASP 36 N -1.52 7.31 0.03 3.32 1.01 -1.26 -0.57 116.67 124.98 3dfe s ASP 36 Ca -0.05 1.55 -0.02 0.00 0.71 0.00 0.00 52.55 54.74 3dfe s ASP 36 Cb -0.09 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3dfe s ASP 36 CO 0.01 0.16 0.02 0.42 0.21 0.00 0.00 175.17 175.99 3dfe s THR 37 N -0.81 0.13 0.21 -1.27 -4.23 -0.78 -4.90 115.64 104.00 3dfe s THR 37 Ca 0.36 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 3dfe s THR 37 Cb -0.22 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 72.99 3dfe s THR 37 CO 0.25 -0.61 0.27 0.61 -0.54 0.00 0.00 174.62 174.60 3dfe n GLY 38 N 1.11 2.14 0.00 3.99 0.00 -1.26 -1.24 105.19 109.93 3dfe n GLY 38 Ca -0.21 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 2.40 1.38 1.87 -0.02 0.00 -1.26 -4.87 105.19 104.70 3dfe n GLY 39 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -4.57 1.61 2.88 -1.25 -5.29 113.62 107.00 3dfe n SER 58 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3dfe n SER 58 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 -2.49 3.58 0.01 -3.46 0.01 -0.37 -2.69 114.94 109.53 3dfe s ASN 59 Ca 0.00 -1.53 0.02 0.00 -0.71 0.00 0.00 52.86 50.64 3dfe s ASN 59 Cb 0.00 0.13 -0.01 0.00 0.41 0.00 0.00 41.25 41.78 3dfe s ASN 59 CO 0.00 -0.70 -0.06 0.54 -1.51 0.00 0.00 177.10 175.37 3dfe s VAL 60 N -2.94 0.44 -0.21 1.60 0.11 0.55 -1.86 120.40 118.10 3dfe s VAL 60 Ca 0.22 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 3dfe s VAL 60 Cb 0.06 -0.41 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3dfe s VAL 60 CO 0.11 -0.01 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.97 3dfe s LYS 61 N -0.49 2.73 0.05 1.54 2.20 0.26 -1.68 119.74 124.37 3dfe s LYS 61 Ca -0.01 -1.01 -0.09 0.00 -0.36 0.00 0.00 55.97 54.50 3dfe s LYS 61 Cb -0.04 -2.72 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3dfe s LYS 61 CO -0.00 -0.35 0.36 -0.06 -0.36 0.00 0.00 175.35 174.94 3dfe s PHE 62 N 1.23 3.59 -0.07 4.03 0.40 0.53 -1.37 117.98 126.32 3dfe s PHE 62 Ca -0.00 0.74 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 3dfe s PHE 62 Cb -0.16 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.27 3dfe s PHE 62 CO -0.09 0.55 -0.12 -1.21 0.70 0.00 0.00 175.22 175.05 3dfe s GLU 63 N -1.82 1.68 -0.06 0.44 2.02 -0.06 -1.61 118.70 119.30 3dfe s GLU 63 Ca 0.31 -0.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 3dfe s GLU 63 Cb -0.14 -1.42 0.03 0.00 0.10 0.00 0.00 34.13 32.70 3dfe s GLU 63 CO 0.17 0.00 0.02 0.08 0.02 0.00 0.00 175.26 175.55 3dfe s VAL 64 N 0.75 0.20 -0.39 2.63 1.01 -0.22 -1.03 120.40 123.34 3dfe s VAL 64 Ca -0.13 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 3dfe s VAL 64 Cb -0.16 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.86 3dfe s VAL 64 CO 0.03 0.22 0.77 -0.76 0.00 0.00 0.00 175.10 175.36 3dfe s LEU 65 N 1.92 4.18 0.25 3.92 1.43 -1.26 -0.41 118.68 128.71 3dfe s LEU 65 Ca 0.03 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3dfe s LEU 65 Cb -0.12 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3dfe s LEU 65 CO -0.04 -0.78 0.46 0.42 0.23 0.00 0.00 176.35 176.63 3dfe s THR 66 N 3.14 5.15 0.05 5.49 -4.23 -0.35 -4.80 115.64 120.09 3dfe s THR 66 Ca 0.30 -0.35 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 3dfe s THR 66 Cb -0.13 -3.77 -0.15 0.00 1.34 0.00 0.00 72.50 69.79 3dfe s THR 66 CO 0.19 -0.30 1.42 1.05 -0.54 0.00 0.00 174.62 176.44 3dfe h GLU 67 N 1.59 -0.91 -5.18 3.99 9.09 -1.95 -3.33 114.58 117.88 3dfe h GLU 67 Ca -0.49 0.06 -0.52 0.00 0.05 0.00 0.00 59.36 58.47 3dfe h GLU 67 Cb 1.20 0.21 -0.14 0.00 -1.65 0.00 0.00 28.75 28.37 3dfe h GLU 67 CO 0.66 -0.60 -0.57 0.54 0.05 0.00 0.00 179.01 179.08 3dfe s ASN 68 N -3.61 2.67 0.12 3.06 4.22 -1.26 -4.76 114.94 115.38 3dfe s ASN 68 Ca -0.14 -1.49 -0.20 0.00 -2.14 0.00 0.00 52.86 48.89 3dfe s ASN 68 Cb 0.02 0.13 -0.07 0.00 1.28 0.00 0.00 41.25 42.61 3dfe s ASN 68 CO 0.45 -0.72 1.77 -0.09 -2.04 0.00 0.00 177.10 176.48 3dfe h ARG 69 N 1.95 0.26 -0.51 3.55 9.65 -1.98 -2.97 114.38 124.33 3dfe h ARG 69 Ca -0.39 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 3dfe h ARG 69 Cb 1.26 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3dfe h ARG 69 CO 0.67 0.17 0.00 0.39 2.80 0.00 0.00 179.97 184.00 3dfe n GLU 70 N -4.95 0.00 0.00 0.20 4.71 -1.26 -1.06 120.64 118.28 3dfe n GLU 70 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 3dfe n GLU 70 Cb 0.03 -0.81 0.00 0.00 -1.01 0.00 0.00 31.44 29.65 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 0.41 0.00 -0.05 0.62 0.00 -1.12 -1.04 120.51 119.32 3dfe n ALA 72 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3dfe n ALA 72 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 0.68 -0.15 0.00 5.08 -1.40 -2.04 114.58 116.75 3dfe h GLU 73 Ca 0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3dfe h GLU 73 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3dfe h GLU 73 CO 0.00 0.89 0.07 0.87 -1.00 0.00 0.00 179.01 179.85 3dfe h LYS 74 N 0.58 0.21 -0.69 2.33 1.57 -1.34 0.59 116.57 119.82 3dfe h LYS 74 Ca 0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3dfe h LYS 74 Cb 0.79 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3dfe h LYS 74 CO 0.07 0.24 0.40 0.82 -0.57 0.00 0.00 179.45 180.41 3dfe h ILE 75 N 0.12 1.21 -0.26 1.86 2.04 -1.81 -1.27 117.51 119.40 3dfe h ILE 75 Ca 0.05 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3dfe h ILE 75 Cb 0.10 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3dfe h ILE 75 CO -0.01 0.22 0.05 0.00 0.00 0.00 0.00 178.15 178.41 3dfe h ALA 76 N 1.20 0.35 -0.23 1.87 0.00 -1.16 -1.21 119.26 120.08 3dfe h ALA 76 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dfe h ALA 76 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dfe h ALA 76 CO -0.04 0.02 0.15 -0.44 0.00 0.00 0.00 179.25 178.94 3dfe h ASP 77 N 0.25 0.27 -0.23 0.00 3.32 -0.76 -1.50 116.42 117.76 3dfe h ASP 77 Ca 0.08 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3dfe h ASP 77 Cb 0.32 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3dfe h ASP 77 CO 0.00 0.20 0.09 1.56 -1.72 0.00 0.00 179.24 179.38 3dfe h GLN 78 N 0.31 0.20 -0.32 3.56 4.20 -1.15 -0.54 115.11 121.38 3dfe h GLN 78 Ca 0.09 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3dfe h GLN 78 Cb -0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3dfe h GLN 78 CO -0.02 0.13 0.01 0.28 -0.67 0.00 0.00 178.83 178.57 3dfe h VAL 79 N 0.21 1.25 0.61 -0.54 2.07 -1.15 -2.40 116.25 116.30 3dfe h VAL 79 Ca 0.10 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3dfe h VAL 79 Cb 0.05 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3dfe h VAL 79 CO -0.09 0.30 -0.29 0.00 0.02 0.00 0.00 177.57 177.51 3dfe h ALA 80 N 0.86 -0.82 -0.52 1.67 0.00 -1.17 -0.31 119.26 118.97 3dfe h ALA 80 Ca 0.09 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.88 3dfe h ALA 80 Cb 0.41 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3dfe h ALA 80 CO 0.01 -0.88 0.16 0.82 0.00 0.00 0.00 179.25 179.36 3dfe h ILE 81 N -0.98 0.78 -0.17 0.00 2.04 -1.18 0.13 117.51 118.12 3dfe h ILE 81 Ca -0.08 -0.11 -0.18 0.00 1.00 0.00 0.00 64.86 65.49 3dfe h ILE 81 Cb 0.67 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3dfe h ILE 81 CO 0.14 0.06 -0.62 0.50 0.00 0.00 0.00 178.15 178.23 3dfe h LYS 82 N 0.32 0.59 0.00 2.37 3.64 -1.40 -3.41 116.57 118.67 3dfe h LYS 82 Ca 0.26 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3dfe h LYS 82 Cb 0.31 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3dfe h LYS 82 CO -0.29 1.03 -0.92 1.19 -2.27 0.00 0.00 179.45 178.19 3dfe n PHE 83 N -3.93 0.00 1.12 1.91 3.72 -0.13 -4.81 117.46 115.33 3dfe n PHE 83 Ca -0.04 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.47 3dfe n PHE 83 Cb 0.65 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.78 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 -1.47 0.00 0.10 1.38 3.01 0.44 0.05 117.46 120.97 3dfe n PHE 84 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 3dfe n PHE 84 Cb 0.08 -0.27 -0.14 0.00 -0.01 0.00 0.00 39.48 39.13 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 1.36 0.01 4.37 1.35 -1.84 -3.39 112.91 114.77 3dfe h THR 85 Ca 0.00 -2.93 -0.34 0.00 -0.55 0.00 0.00 66.41 62.59 3dfe h THR 85 Cb 0.21 2.90 -0.06 0.00 -1.73 0.00 0.00 68.15 69.47 3dfe h THR 85 CO 0.00 0.86 -2.11 0.47 -0.25 0.00 0.00 175.52 174.49 3dfe n ASP 86 N -3.54 0.69 -4.46 5.36 8.00 -0.79 -5.00 116.55 116.82 3dfe n ASP 86 Ca -0.12 0.16 -0.27 0.00 0.71 0.00 0.00 54.79 55.27 3dfe n ASP 86 Cb 1.04 0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 42.35 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 -2.54 2.38 0.39 1.24 1.51 0.11 -5.14 117.35 115.30 3dfe s TYR 87 Ca -0.11 -0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 55.46 3dfe s TYR 87 Cb 0.07 -1.17 -0.09 0.00 -0.11 0.00 0.00 41.96 40.66 3dfe s TYR 87 CO 0.80 0.51 0.83 0.00 -1.11 0.00 0.00 175.55 176.58 3dfe s ALA 88 N -1.71 3.22 0.00 3.71 0.00 -1.26 -4.32 121.76 121.40 3dfe s ALA 88 Ca 0.22 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3dfe s ALA 88 Cb -0.08 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3dfe s ALA 88 CO 0.11 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.44 3dfe n GLY 89 N -0.74 2.28 3.10 0.00 0.00 -1.26 -3.59 105.19 104.98 3dfe n GLY 89 Ca 0.05 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 3dfe n GLY 89 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dfe s ILE 90 N -2.00 0.88 -0.06 -0.61 -0.00 0.31 -4.99 121.20 114.73 3dfe s ILE 90 Ca 0.00 -0.95 0.02 0.00 -0.00 0.00 0.00 60.65 59.72 3dfe s ILE 90 Cb 0.00 -0.83 0.01 0.00 -0.00 0.00 0.00 42.46 41.64 3dfe s ILE 90 CO 0.00 -0.10 -0.12 -0.63 -0.00 0.00 0.00 174.94 174.09 3dfe s ILE 91 N -0.93 1.13 0.17 8.37 1.01 -1.26 -0.72 121.20 128.96 3dfe s ILE 91 Ca -0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3dfe s ILE 91 Cb -0.08 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 3dfe s ILE 91 CO 0.01 0.35 0.26 -0.72 0.00 0.00 0.00 174.94 174.84 3dfe s TYR 92 N 0.61 0.50 -0.02 3.97 1.13 -0.23 -4.99 117.35 118.32 3dfe s TYR 92 Ca -0.13 -0.86 0.06 0.00 -1.41 0.00 0.00 57.07 54.73 3dfe s TYR 92 Cb -0.15 -0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.57 3dfe s TYR 92 CO 0.03 -0.71 -0.21 0.42 -2.51 0.00 0.00 175.55 172.58 3dfe s ILE 93 N -3.99 1.67 0.03 -3.49 1.01 -1.26 0.21 121.20 115.38 3dfe s ILE 93 Ca 0.20 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.03 3dfe s ILE 93 Cb 0.04 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3dfe s ILE 93 CO 0.02 0.47 -0.23 0.00 0.00 0.00 0.00 174.94 175.20 3dfe s GLU 95 N -1.09 4.57 0.07 0.00 0.41 -1.26 -0.34 118.70 121.06 3dfe s GLU 95 Ca 0.09 1.70 0.06 0.00 -0.41 0.00 0.00 54.97 56.41 3dfe s GLU 95 Cb -0.09 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 28.93 3dfe s GLU 95 CO 0.01 0.03 -0.16 0.00 -0.49 0.00 0.00 175.26 174.65 3dfe s ALA 96 N 0.02 1.37 -0.34 5.21 0.00 -0.48 -4.87 121.76 122.68 3dfe s ALA 96 Ca 0.51 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3dfe s ALA 96 Cb -0.29 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 22.73 3dfe s ALA 96 CO 0.33 0.25 0.07 -2.00 0.00 0.00 0.00 175.76 174.41 3dfe s GLU 97 N -1.57 2.28 -0.14 0.00 2.12 -1.26 -0.46 118.70 119.66 3dfe s GLU 97 Ca 0.02 -1.45 -0.29 0.00 0.36 0.00 0.00 54.97 53.61 3dfe s GLU 97 Cb -0.09 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 3dfe s GLU 97 CO 0.02 -0.77 0.99 0.08 -0.54 0.00 0.00 175.26 175.04 3dfe s VAL 98 N 1.22 4.78 -0.23 3.70 1.01 0.41 -4.86 120.40 126.42 3dfe s VAL 98 Ca -0.00 1.98 -0.07 0.00 0.00 0.00 0.00 61.98 63.88 3dfe s VAL 98 Cb -0.21 -4.29 -0.18 0.00 0.00 0.00 0.00 36.38 31.71 3dfe s VAL 98 CO -0.02 -0.03 -0.08 0.18 0.00 0.00 0.00 175.10 175.15 3dfe n LEU 99 N 5.34 2.52 -3.87 3.92 4.32 -1.26 -1.68 117.00 126.29 3dfe n LEU 99 Ca 0.09 0.12 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 3dfe n LEU 99 Cb 0.48 -0.94 -0.10 0.00 -1.62 0.00 0.00 43.42 41.24 3dfe n LEU 99 CO 0.51 0.75 -0.18 -0.31 -1.22 0.00 0.00 177.39 176.95 3dfe s TYR 100 N -2.51 0.01 0.00 -1.77 2.02 -1.26 -4.81 117.35 109.04 3dfe s TYR 100 Ca -0.33 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 3dfe s TYR 100 Cb 0.10 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.62 3dfe s TYR 100 CO 0.61 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.75