#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs s GLN 2 N 0.00 3.75 -0.47 2.12 0.00 -1.26 -5.03 119.66 118.77 1mfs s GLN 2 Ca 0.00 0.16 0.06 0.00 -0.00 0.00 0.00 55.36 55.58 1mfs s GLN 2 Cb 0.00 -2.80 0.26 0.00 0.00 0.00 0.00 33.01 30.47 1mfs s GLN 2 CO 0.00 0.42 0.88 1.63 0.00 0.00 0.00 175.29 178.22 1mfs n LYS 3 N 0.20 0.82 -0.26 9.60 5.02 -1.26 -5.03 118.16 127.25 1mfs n LYS 3 Ca -0.02 -1.98 -0.07 0.00 -2.02 0.00 0.00 58.31 54.21 1mfs n LYS 3 Cb 0.52 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mfs n GLY 4 N 1.37 -2.46 0.00 0.72 0.00 -1.26 -4.63 105.19 98.93 1mfs n GLY 4 Ca 0.10 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.02 1mfs n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfs n ASN 5 N -4.44 0.00 -4.56 1.61 5.15 -1.26 -5.17 115.26 106.59 1mfs n ASN 5 Ca 0.01 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.71 1mfs n ASN 5 Cb 0.16 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.61 1mfs n ASN 5 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1mfs s PHE 6 N 0.00 1.82 0.34 1.20 0.08 -1.26 -4.96 117.98 115.20 1mfs s PHE 6 Ca 0.00 0.93 -0.29 0.00 0.12 0.00 0.00 56.93 57.69 1mfs s PHE 6 Cb 0.00 -3.27 -0.10 0.00 -0.57 0.00 0.00 43.02 39.07 1mfs s PHE 6 CO 0.00 -3.17 1.36 1.03 -0.10 0.00 0.00 175.22 174.34 1mfs s ARG 7 N -4.96 4.29 -0.04 0.44 1.81 -1.26 -4.93 118.95 114.29 1mfs s ARG 7 Ca 0.66 2.32 -0.02 0.00 -1.72 0.00 0.00 55.73 56.97 1mfs s ARG 7 Cb -0.18 -3.04 -0.02 0.00 -0.45 0.00 0.00 34.95 31.26 1mfs s ARG 7 CO 0.58 -0.29 -0.05 0.09 -0.68 0.00 0.00 175.30 174.96 1mfs n ASN 8 N 0.71 0.89 0.09 0.23 4.13 -1.26 -4.82 115.26 115.22 1mfs n ASN 8 Ca 0.00 0.04 -0.06 0.00 1.68 0.00 0.00 54.58 56.24 1mfs n ASN 8 Cb 0.41 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 1mfs n ASN 8 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1mfs h GLN 9 N -0.12 -0.30 -2.12 3.52 5.75 -2.04 -3.45 115.11 116.35 1mfs h GLN 9 Ca -0.10 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1mfs h GLN 9 Cb 1.10 0.07 -0.22 0.00 1.07 0.00 0.00 27.48 29.50 1mfs h GLN 9 CO -0.05 -0.20 0.00 1.03 -2.65 0.00 0.00 178.83 176.95 1mfs s ARG 10 N -3.89 0.70 0.48 1.69 0.52 -1.26 -5.15 118.95 112.05 1mfs s ARG 10 Ca -0.06 1.08 -0.24 0.00 -0.52 0.00 0.00 55.73 55.99 1mfs s ARG 10 Cb 0.01 0.20 -0.07 0.00 0.52 0.00 0.00 34.95 35.61 1mfs s ARG 10 CO 0.19 -0.13 1.41 0.15 0.02 0.00 0.00 175.30 176.94 1mfs s LYS 11 N 1.18 3.51 -0.03 3.54 -0.14 -1.26 -4.01 119.74 122.52 1mfs s LYS 11 Ca -0.07 2.38 -0.00 0.00 -1.36 0.00 0.00 55.97 56.92 1mfs s LYS 11 Cb -0.05 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 1mfs s LYS 11 CO -0.12 -0.95 0.01 2.41 -0.76 0.00 0.00 175.35 175.94 1mfs n THR 12 N -0.46 -3.01 -3.02 2.17 -1.04 -1.26 -4.94 114.28 102.72 1mfs n THR 12 Ca 0.07 0.59 -0.27 0.00 -2.04 0.00 0.00 64.05 62.40 1mfs n THR 12 Cb 0.43 -3.36 -0.01 0.00 -1.82 0.00 0.00 70.33 65.56 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1mfs s VAL 13 N -0.86 4.97 -0.01 12.58 -7.23 -1.26 -4.96 120.40 123.63 1mfs s VAL 13 Ca -0.01 0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1mfs s VAL 13 Cb 0.00 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.11 1mfs s VAL 13 CO 0.09 -0.61 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.51 1mfs s LYS 14 N -4.25 1.36 -0.31 4.82 -2.85 -1.23 -1.38 119.74 115.91 1mfs s LYS 14 Ca 0.45 -0.62 -0.28 0.00 -1.00 0.00 0.00 55.97 54.52 1mfs s LYS 14 Cb -0.10 -1.33 0.01 0.00 -2.06 0.00 0.00 37.83 34.35 1mfs s LYS 14 CO 0.37 0.36 0.99 0.00 0.10 0.00 0.00 175.35 177.18 1mfs n PHE 16 N 6.63 0.47 -0.10 0.00 7.35 -1.26 0.22 117.46 130.76 1mfs n PHE 16 Ca 0.10 -0.20 -0.19 0.00 -0.76 0.00 0.00 57.45 56.40 1mfs n PHE 16 Cb 0.47 -0.08 -0.08 0.00 0.35 0.00 0.00 39.48 40.14 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1mfs n ASN 17 N 0.25 1.87 -0.08 -2.13 5.15 -1.26 -4.73 115.26 114.33 1mfs n ASN 17 Ca 0.09 0.12 -0.08 0.00 -0.60 0.00 0.00 54.58 54.10 1mfs n ASN 17 Cb 0.33 -0.50 -0.11 0.00 -0.53 0.00 0.00 39.78 38.98 1mfs n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n GLY 19 N 2.24 1.15 3.63 0.00 0.00 0.13 -5.07 105.19 107.28 1mfs n GLY 19 Ca -0.26 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1mfs n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mfs s LYS 20 N -1.29 3.34 0.22 1.61 2.20 -1.20 -4.83 119.74 119.79 1mfs s LYS 20 Ca 0.00 -0.42 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 1mfs s LYS 20 Cb 0.00 -2.91 -0.09 0.00 -1.51 0.00 0.00 37.83 33.33 1mfs s LYS 20 CO 0.00 0.52 0.87 -1.83 -0.36 0.00 0.00 175.35 174.55 1mfs s GLU 21 N -0.36 4.71 0.00 4.03 -1.05 -1.26 -0.80 118.70 123.97 1mfs s GLU 21 Ca 0.07 1.33 0.00 0.00 -0.15 0.00 0.00 54.97 56.22 1mfs s GLU 21 Cb -0.12 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 30.35 1mfs s GLU 21 CO 0.02 0.52 0.00 0.41 0.95 0.00 0.00 175.26 177.16 1mfs n GLY 22 N 1.42 1.14 3.58 -3.83 0.00 -0.48 -4.94 105.19 102.09 1mfs n GLY 22 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1mfs n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 23 N -1.91 -0.17 0.39 1.61 -3.43 -1.23 -4.97 115.29 105.58 1mfs s HIS 23 Ca 0.00 0.08 0.08 0.00 -0.80 0.00 0.00 55.06 54.42 1mfs s HIS 23 Cb 0.00 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 1mfs s HIS 23 CO 0.00 -0.31 0.41 0.96 -2.00 0.00 0.00 174.74 173.81 1mfs s ILE 24 N -2.60 3.13 0.23 -5.38 -4.36 -1.26 0.18 121.20 111.15 1mfs s ILE 24 Ca 0.09 -1.23 -0.07 0.00 -0.26 0.00 0.00 60.65 59.18 1mfs s ILE 24 Cb -0.00 -3.10 0.20 0.00 1.25 0.00 0.00 42.46 40.80 1mfs s ILE 24 CO -0.05 -0.06 1.86 0.00 0.24 0.00 0.00 174.94 176.92 1mfs h ALA 25 N 0.98 1.10 0.00 2.27 0.00 -1.87 0.37 119.26 122.11 1mfs h ALA 25 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1mfs h ALA 25 Cb 1.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1mfs h ALA 25 CO 0.54 0.30 0.00 -0.22 0.00 0.00 0.00 179.25 179.87 1mfs h LYS 26 N 0.98 0.00 -0.37 0.00 1.63 -1.96 0.12 116.57 116.97 1mfs h LYS 26 Ca 0.34 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.07 1mfs h LYS 26 Cb 0.09 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1mfs h LYS 26 CO -0.14 0.00 0.03 0.09 -3.45 0.00 0.00 179.45 175.98 1mfs n ASN 27 N -3.00 3.84 -4.65 4.20 3.02 0.12 -4.96 115.26 113.83 1mfs n ASN 27 Ca -0.02 -3.20 -0.42 0.00 -0.03 0.00 0.00 54.58 50.92 1mfs n ASN 27 Cb 0.15 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mfs n ARG 29 N 5.77 1.14 -3.66 0.00 0.63 -1.26 -4.35 116.66 114.93 1mfs n ARG 29 Ca 0.06 -0.21 -0.29 0.00 -0.92 0.00 0.00 57.85 56.48 1mfs n ARG 29 Cb 0.48 -1.32 -0.13 0.00 0.45 0.00 0.00 32.46 31.94 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1mfs s ALA 30 N -1.96 1.90 0.18 5.13 0.00 -1.26 -4.95 121.76 120.80 1mfs s ALA 30 Ca 0.30 -2.44 0.03 0.00 0.00 0.00 0.00 51.96 49.85 1mfs s ALA 30 Cb 0.14 -1.83 0.05 0.00 0.00 0.00 0.00 23.12 21.48 1mfs s ALA 30 CO 0.23 -2.07 1.42 -1.00 0.00 0.00 0.00 175.76 174.34 1mfs h PRO 31 N 6.81 0.22 -6.05 0.00 0.13 -1.96 -3.47 132.00 127.68 1mfs h PRO 31 Ca 0.00 -0.21 -0.54 0.00 -0.87 0.00 0.00 66.00 64.38 1mfs h PRO 31 Cb 0.94 0.06 0.24 0.00 0.13 0.00 0.00 31.00 32.36 1mfs h PRO 31 CO 0.44 0.91 -1.91 -2.13 -0.23 0.00 0.00 178.00 175.08 1mfs n ARG 32 N -3.72 -0.03 -3.67 0.86 0.63 -1.26 -5.01 116.66 104.46 1mfs n ARG 32 Ca -0.03 -0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.78 1mfs n ARG 32 Cb 0.76 -1.06 -0.08 0.00 0.45 0.00 0.00 32.46 32.53 1mfs n ARG 32 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1mfs s LYS 33 N -2.11 0.63 -0.38 -0.14 2.47 -1.26 -5.06 119.74 113.89 1mfs s LYS 33 Ca 0.41 0.94 0.03 0.00 -1.56 0.00 0.00 55.97 55.79 1mfs s LYS 33 Cb -0.14 0.20 0.18 0.00 -1.46 0.00 0.00 37.83 36.61 1mfs s LYS 33 CO 0.79 -0.12 0.75 0.21 0.16 0.00 0.00 175.35 177.15 1mfs s LYS 34 N 0.95 0.62 0.00 4.03 2.47 -1.26 -5.16 119.74 121.39 1mfs s LYS 34 Ca -0.05 -0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.18 1mfs s LYS 34 Cb -0.05 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.40 1mfs s LYS 34 CO -0.08 -0.91 0.00 0.41 0.16 0.00 0.00 175.35 174.93 1mfs n GLY 35 N 4.23 -0.32 3.63 5.54 0.00 -1.26 -4.93 105.19 112.07 1mfs n GLY 35 Ca 0.09 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1mfs n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfs n TRP 37 N 8.60 0.84 -0.09 0.00 7.02 -1.26 -0.01 117.44 132.54 1mfs n TRP 37 Ca 0.19 -0.34 -0.16 0.00 -1.02 0.00 0.00 57.50 56.17 1mfs n TRP 37 Cb 0.46 -0.15 -0.08 0.00 -2.42 0.00 0.00 31.31 29.11 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1mfs n LYS 38 N 0.55 0.44 -0.03 -0.99 0.00 -1.26 -4.69 118.16 112.19 1mfs n LYS 38 Ca 0.15 0.14 0.01 0.00 0.00 0.00 0.00 58.31 58.61 1mfs n LYS 38 Cb 0.55 -1.30 -0.10 0.00 0.00 0.00 0.00 35.03 34.18 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mfs n GLY 40 N 1.97 0.76 3.64 0.00 0.00 0.99 -5.03 105.19 107.52 1mfs n GLY 40 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1mfs n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mfs s LYS 41 N -0.56 4.12 -0.80 1.61 2.47 -1.19 -4.78 119.74 120.62 1mfs s LYS 41 Ca 0.00 1.09 -0.22 0.00 -1.56 0.00 0.00 55.97 55.28 1mfs s LYS 41 Cb 0.00 -3.70 0.08 0.00 -1.46 0.00 0.00 37.83 32.75 1mfs s LYS 41 CO 0.00 -0.78 1.10 -1.83 0.16 0.00 0.00 175.35 174.00 1mfs s GLU 42 N 3.40 3.33 0.00 4.03 -1.05 -1.26 -1.09 118.70 126.06 1mfs s GLU 42 Ca 0.43 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 1mfs s GLU 42 Cb -0.13 -4.59 0.00 0.00 -0.44 0.00 0.00 34.13 28.97 1mfs s GLU 42 CO 0.12 -1.88 0.00 0.41 0.95 0.00 0.00 175.26 174.86 1mfs n GLY 43 N 5.58 1.56 3.92 -3.83 0.00 -1.26 -4.99 105.19 106.17 1mfs n GLY 43 Ca 0.10 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1mfs n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 44 N 0.00 2.41 0.17 1.61 -3.43 -1.25 -4.99 115.29 109.80 1mfs s HIS 44 Ca 0.00 -0.56 -0.01 0.00 -0.80 0.00 0.00 55.06 53.69 1mfs s HIS 44 Cb 0.00 -2.17 0.00 0.00 -1.43 0.00 0.00 32.58 28.99 1mfs s HIS 44 CO 0.00 -0.33 0.23 1.04 -2.00 0.00 0.00 174.74 173.68 1mfs n GLN 45 N -1.70 0.33 -0.33 -0.38 6.02 -1.26 -3.02 117.38 117.04 1mfs n GLN 45 Ca 0.05 -1.32 0.13 0.00 -0.01 0.00 0.00 57.00 55.85 1mfs n GLN 45 Cb 0.62 1.27 0.31 0.00 1.02 0.00 0.00 30.24 33.46 1mfs n GLN 45 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1mfs h MET 46 N 0.00 0.63 -1.97 -1.09 4.05 -1.98 1.53 114.93 116.10 1mfs h MET 46 Ca -0.13 -0.04 0.58 0.00 -0.28 0.00 0.00 59.70 59.83 1mfs h MET 46 Cb 0.56 -0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 31.14 1mfs h MET 46 CO 0.17 0.42 1.41 -0.22 0.23 0.00 0.00 176.91 178.93 1mfs h LYS 47 N 0.65 0.00 -0.08 0.39 3.11 -2.04 -1.21 116.57 117.40 1mfs h LYS 47 Ca 0.57 -0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 58.23 1mfs h LYS 47 Cb 0.94 -0.00 -0.20 0.00 -1.00 0.00 0.00 32.23 31.98 1mfs h LYS 47 CO -0.42 0.00 -0.43 -3.47 -2.81 0.00 0.00 179.45 172.32 1mfs n ASP 48 N -3.97 -0.89 -4.56 4.20 -0.08 0.74 -5.08 116.55 106.91 1mfs n ASP 48 Ca 0.45 -2.18 -0.40 0.00 -1.51 0.00 0.00 54.79 51.14 1mfs n ASP 48 Cb 2.02 0.47 -0.03 0.00 2.34 0.00 0.00 41.12 45.92 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mfs n THR 50 N 6.97 1.06 -2.82 0.00 5.66 -1.26 -4.14 114.28 119.75 1mfs n THR 50 Ca 0.15 0.73 -0.43 0.00 -3.05 0.00 0.00 64.05 61.45 1mfs n THR 50 Cb 0.50 -1.73 -0.03 0.00 -1.55 0.00 0.00 70.33 67.53 1mfs n THR 50 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1mfs s GLU 51 N -3.54 3.42 -0.51 1.09 0.41 -1.26 -4.88 118.70 113.43 1mfs s GLU 51 Ca -0.02 -1.27 0.06 0.00 -0.41 0.00 0.00 54.97 53.33 1mfs s GLU 51 Cb 0.06 -4.74 0.21 0.00 -1.78 0.00 0.00 34.13 27.89 1mfs s GLU 51 CO 0.20 -1.89 0.51 2.89 -0.49 0.00 0.00 175.26 176.48 1mfs n ARG 52 N 7.50 1.14 -4.00 1.61 1.85 -1.26 -4.94 116.66 118.57 1mfs n ARG 52 Ca 0.16 -3.74 -0.23 0.00 -1.00 0.00 0.00 57.85 53.03 1mfs n ARG 52 Cb 0.48 -1.76 -0.06 0.00 -1.05 0.00 0.00 32.46 30.07 1mfs n ARG 52 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1mfs s GLN 53 N -1.14 2.40 1.15 2.89 -2.07 -1.26 -5.12 119.66 116.50 1mfs s GLN 53 Ca 0.34 -1.58 -0.16 0.00 -1.82 0.00 0.00 55.36 52.13 1mfs s GLN 53 Cb 0.09 -2.19 0.26 0.00 -1.09 0.00 0.00 33.01 30.08 1mfs s GLN 53 CO -0.13 0.02 1.06 0.00 -1.32 0.00 0.00 175.29 174.92 1mfs s ALA 54 N -2.46 0.30 0.00 2.60 0.00 -1.26 -5.27 121.76 115.67 1mfs s ALA 54 Ca 0.40 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1mfs s ALA 54 Cb -0.02 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1mfs s ALA 54 CO 0.24 -3.52 0.00 0.27 0.00 0.00 0.00 175.76 172.75