#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs h GLN 2 N 0.00 -0.65 -1.63 2.12 5.75 -2.05 -3.45 115.11 115.19 1mfs h GLN 2 Ca 0.00 0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1mfs h GLN 2 Cb 0.00 0.15 -0.22 0.00 1.07 0.00 0.00 27.48 28.48 1mfs h GLN 2 CO 0.00 -0.40 -0.25 0.21 -2.65 0.00 0.00 178.83 175.74 1mfs s LYS 3 N -3.96 0.53 -0.43 1.69 2.20 -1.26 -5.13 119.74 113.38 1mfs s LYS 3 Ca -0.11 1.14 -0.18 0.00 -0.36 0.00 0.00 55.97 56.45 1mfs s LYS 3 Cb 0.01 0.56 0.02 0.00 -1.51 0.00 0.00 37.83 36.91 1mfs s LYS 3 CO 0.35 -0.42 0.50 0.20 -0.36 0.00 0.00 175.35 175.62 1mfs s GLY 4 N 2.82 1.83 0.25 5.54 0.00 -1.26 -4.81 107.32 111.69 1mfs s GLY 4 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1mfs s GLY 4 CO -0.19 1.28 0.00 0.70 0.00 0.00 0.00 173.10 174.90 1mfs n ASN 5 N 5.82 -8.79 -3.52 1.64 3.02 -1.26 -5.09 115.26 107.08 1mfs n ASN 5 Ca -0.05 1.31 -0.11 0.00 -0.03 0.00 0.00 54.58 55.69 1mfs n ASN 5 Cb 0.48 -4.86 -0.04 0.00 -0.61 0.00 0.00 39.78 34.75 1mfs n ASN 5 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1mfs s PHE 6 N -0.92 -0.42 -0.43 3.10 -0.71 -1.26 -5.12 117.98 112.22 1mfs s PHE 6 Ca 0.00 0.50 0.02 0.00 -1.04 0.00 0.00 56.93 56.41 1mfs s PHE 6 Cb 0.00 0.49 0.13 0.00 -1.21 0.00 0.00 43.02 42.43 1mfs s PHE 6 CO 0.00 -0.52 0.22 1.03 -1.34 0.00 0.00 175.22 174.61 1mfs s ARG 7 N -2.22 1.32 -0.51 1.99 3.00 -1.26 -5.07 118.95 116.20 1mfs s ARG 7 Ca -0.00 -1.98 -0.30 0.00 0.00 0.00 0.00 55.73 53.45 1mfs s ARG 7 Cb -0.01 -2.45 -0.11 0.00 0.00 0.00 0.00 34.95 32.38 1mfs s ARG 7 CO -0.03 -1.13 2.38 0.09 0.00 0.00 0.00 175.30 176.61 1mfs n ASN 8 N 3.65 2.00 -3.50 0.23 4.13 -1.26 -4.85 115.26 115.66 1mfs n ASN 8 Ca 0.07 -0.01 -0.29 0.00 1.68 0.00 0.00 54.58 56.03 1mfs n ASN 8 Cb 0.35 -1.36 -0.12 0.00 -1.54 0.00 0.00 39.78 37.11 1mfs n ASN 8 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1mfs s GLN 9 N 7.53 0.67 0.11 3.52 -0.21 -1.26 -5.12 119.66 124.91 1mfs s GLN 9 Ca 1.09 -1.46 0.09 0.00 0.02 0.00 0.00 55.36 55.11 1mfs s GLN 9 Cb -0.61 -1.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 1mfs s GLN 9 CO 0.39 -1.21 -0.24 0.50 -2.12 0.00 0.00 175.29 172.61 1mfs s ARG 10 N 0.93 1.27 0.00 2.91 6.06 -1.26 -5.14 118.95 123.72 1mfs s ARG 10 Ca 0.18 -1.23 0.00 0.00 -2.50 0.00 0.00 55.73 52.18 1mfs s ARG 10 Cb -0.22 -1.62 0.00 0.00 0.06 0.00 0.00 34.95 33.16 1mfs s ARG 10 CO 0.00 0.38 0.00 1.17 -2.50 0.00 0.00 175.30 174.36 1mfs n LYS 11 N 1.06 3.20 -3.51 5.12 3.00 -1.26 -4.66 118.16 121.11 1mfs n LYS 11 Ca -0.19 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 57.96 1mfs n LYS 11 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1mfs n LYS 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1mfs n THR 12 N 0.00 -5.90 -1.04 3.15 -2.24 -1.26 -2.30 114.28 104.70 1mfs n THR 12 Ca 0.00 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1mfs n THR 12 Cb 0.00 -4.44 -0.02 0.00 -2.10 0.00 0.00 70.33 63.77 1mfs n THR 12 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1mfs n VAL 13 N -2.15 0.00 -3.81 2.28 0.24 -1.26 -3.47 118.33 110.16 1mfs n VAL 13 Ca -0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1mfs n VAL 13 Cb 0.62 -0.19 -0.12 0.00 -1.47 0.00 0.00 33.84 32.68 1mfs n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mfs s LYS 14 N -1.29 0.28 -0.31 7.34 0.00 -1.05 -0.93 119.74 123.78 1mfs s LYS 14 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 55.97 55.84 1mfs s LYS 14 Cb 0.00 0.13 0.01 0.00 0.00 0.00 0.00 37.83 37.97 1mfs s LYS 14 CO 0.00 -0.05 1.14 0.00 0.00 0.00 0.00 175.35 176.45 1mfs n PHE 16 N 7.08 0.05 -0.09 0.00 3.01 -1.26 0.13 117.46 126.37 1mfs n PHE 16 Ca 0.13 -0.03 -0.15 0.00 1.01 0.00 0.00 57.45 58.41 1mfs n PHE 16 Cb 0.47 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.87 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1mfs n ASN 17 N -0.31 1.85 -0.04 4.37 5.15 -1.26 -4.54 115.26 120.48 1mfs n ASN 17 Ca 0.18 0.50 -0.09 0.00 -0.60 0.00 0.00 54.58 54.57 1mfs n ASN 17 Cb 0.22 -0.90 -0.14 0.00 -0.53 0.00 0.00 39.78 38.42 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 1.61 0.62 3.66 0.00 0.00 0.12 -5.04 105.19 106.15 1mfs n GLY 19 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.79 4.25 0.30 1.61 2.20 -1.18 -4.74 119.74 121.37 1mfs s LYS 20 Ca 0.00 1.26 -0.29 0.00 -0.36 0.00 0.00 55.97 56.57 1mfs s LYS 20 Cb 0.00 -3.64 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 1mfs s LYS 20 CO 0.00 -0.59 1.15 -1.83 -0.36 0.00 0.00 175.35 173.72 1mfs s GLU 21 N 3.07 4.56 0.00 4.03 1.03 -1.26 -1.36 118.70 128.77 1mfs s GLU 21 Ca 0.42 1.90 0.00 0.00 0.03 0.00 0.00 54.97 57.32 1mfs s GLU 21 Cb -0.15 -3.14 0.00 0.00 -0.80 0.00 0.00 34.13 30.04 1mfs s GLU 21 CO 0.07 0.10 0.00 0.41 -1.33 0.00 0.00 175.26 174.51 1mfs n GLY 22 N 1.07 4.08 2.11 -3.83 0.00 -0.11 -4.78 105.19 103.74 1mfs n GLY 22 Ca -0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1mfs n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mfs n HIS 23 N 0.00 0.52 -4.57 1.61 1.44 -1.23 -4.50 115.22 108.50 1mfs n HIS 23 Ca 0.00 -1.44 -0.26 0.00 -2.01 0.00 0.00 57.72 54.01 1mfs n HIS 23 Cb 0.00 -0.20 -0.11 0.00 0.12 0.00 0.00 29.99 29.80 1mfs n HIS 23 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1mfs s ILE 24 N -2.01 2.11 0.36 0.61 -4.36 -1.26 0.18 121.20 116.83 1mfs s ILE 24 Ca 0.02 -2.12 0.04 0.00 -0.26 0.00 0.00 60.65 58.32 1mfs s ILE 24 Cb -0.00 -2.77 0.23 0.00 1.25 0.00 0.00 42.46 41.16 1mfs s ILE 24 CO 0.01 -0.13 1.97 0.00 0.24 0.00 0.00 174.94 177.04 1mfs h ALA 25 N 1.94 1.52 0.00 2.27 0.00 -1.89 0.77 119.26 123.87 1mfs h ALA 25 Ca -0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1mfs h ALA 25 Cb 1.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1mfs h ALA 25 CO 0.74 0.39 -0.07 -0.22 0.00 0.00 0.00 179.25 180.09 1mfs h LYS 26 N 0.68 0.00 -0.62 0.00 1.63 -1.97 0.05 116.57 116.34 1mfs h LYS 26 Ca 0.17 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.66 1mfs h LYS 26 Cb 0.05 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 31.50 1mfs h LYS 26 CO -0.03 0.07 0.22 -1.71 -3.45 0.00 0.00 179.45 174.56 1mfs n ASN 27 N -3.76 3.08 -4.62 4.20 2.85 0.22 -4.94 115.26 112.29 1mfs n ASN 27 Ca -0.02 -3.68 -0.38 0.00 -0.11 0.00 0.00 54.58 50.38 1mfs n ASN 27 Cb 0.17 -0.72 -0.10 0.00 1.24 0.00 0.00 39.78 40.38 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n ARG 29 N 4.97 2.05 -3.39 0.00 1.85 -1.26 -5.04 116.66 115.83 1mfs n ARG 29 Ca -0.11 -0.50 -0.25 0.00 -1.00 0.00 0.00 57.85 55.98 1mfs n ARG 29 Cb 0.51 -0.96 0.03 0.00 -1.05 0.00 0.00 32.46 30.99 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mfs n ALA 30 N -0.26 -2.20 -2.23 2.89 0.00 -1.26 -4.68 120.51 112.76 1mfs n ALA 30 Ca 0.02 0.23 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 1mfs n ALA 30 Cb 0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1mfs n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1mfs n PRO 31 N 0.33 2.39 -0.96 0.00 -0.04 -1.26 -4.80 135.00 130.67 1mfs n PRO 31 Ca -0.06 -2.82 0.12 0.00 -0.04 0.00 0.00 63.50 60.71 1mfs n PRO 31 Cb 0.62 -3.56 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 1mfs n PRO 31 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1mfs n ARG 32 N 8.15 -2.16 0.10 0.54 0.63 -1.26 -4.73 116.66 117.92 1mfs n ARG 32 Ca 0.47 1.71 -0.04 0.00 -0.92 0.00 0.00 57.85 59.07 1mfs n ARG 32 Cb 0.46 -2.54 -0.02 0.00 0.45 0.00 0.00 32.46 30.80 1mfs n ARG 32 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1mfs h LYS 33 N -0.93 -0.25 0.00 -0.14 6.56 -2.01 -3.46 116.57 116.33 1mfs h LYS 33 Ca -0.10 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1mfs h LYS 33 Cb 0.91 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.63 1mfs h LYS 33 CO 0.04 -0.17 0.00 0.36 -2.06 0.00 0.00 179.45 177.63 1mfs n LYS 34 N -2.96 0.00 -1.69 3.15 -0.00 -1.26 -5.02 118.16 110.38 1mfs n LYS 34 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.99 1mfs n LYS 34 Cb 0.10 -0.80 0.11 0.00 -0.00 0.00 0.00 35.03 34.44 1mfs n LYS 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1mfs s GLY 35 N -1.95 1.59 -0.13 2.58 0.00 -1.26 -4.82 107.32 103.33 1mfs s GLY 35 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 1mfs s GLY 35 CO 0.00 -0.01 2.04 0.00 0.00 0.00 0.00 173.10 175.13 1mfs n TRP 37 N 9.72 0.83 -0.10 0.00 8.01 -1.26 -0.01 117.44 134.64 1mfs n TRP 37 Ca 0.25 -0.34 -0.17 0.00 -1.31 0.00 0.00 57.50 55.93 1mfs n TRP 37 Cb 0.44 -0.15 -0.08 0.00 -2.01 0.00 0.00 31.31 29.51 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1mfs n LYS 38 N 0.56 0.46 -0.03 -0.99 0.00 -1.26 -4.68 118.16 112.22 1mfs n LYS 38 Ca 0.15 0.14 0.02 0.00 0.00 0.00 0.00 58.31 58.62 1mfs n LYS 38 Cb 0.54 -1.32 -0.10 0.00 0.00 0.00 0.00 35.03 34.16 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 1.95 0.52 3.64 0.00 0.00 0.99 -5.02 105.19 107.27 1mfs n GLY 40 Ca -0.09 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 -0.83 3.91 -1.25 1.61 2.20 -1.20 -4.67 119.74 119.51 1mfs s LYS 41 Ca 0.00 2.04 -0.17 0.00 -0.36 0.00 0.00 55.97 57.48 1mfs s LYS 41 Cb 0.00 -4.08 0.10 0.00 -1.51 0.00 0.00 37.83 32.34 1mfs s LYS 41 CO 0.00 -1.18 1.62 -1.83 -0.36 0.00 0.00 175.35 173.60 1mfs s GLU 42 N 4.62 3.99 0.12 4.03 -1.05 -1.26 -0.23 118.70 128.92 1mfs s GLU 42 Ca 0.78 -2.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.48 1mfs s GLU 42 Cb -0.32 -5.37 0.00 0.00 -0.44 0.00 0.00 34.13 28.00 1mfs s GLU 42 CO 0.32 -2.10 0.00 0.41 0.95 0.00 0.00 175.26 174.84 1mfs n GLY 43 N 5.09 -1.82 3.13 -3.83 0.00 -1.26 -4.95 105.19 101.55 1mfs n GLY 43 Ca 0.44 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.81 1mfs n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mfs n HIS 44 N -2.59 -3.12 -4.55 1.61 1.44 -1.26 -4.86 115.22 101.88 1mfs n HIS 44 Ca 0.00 -1.37 -0.26 0.00 -2.01 0.00 0.00 57.72 54.07 1mfs n HIS 44 Cb 0.00 -0.61 -0.08 0.00 0.12 0.00 0.00 29.99 29.41 1mfs n HIS 44 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1mfs s GLN 45 N -4.66 1.94 0.17 -1.40 -2.07 -1.26 -1.76 119.66 110.62 1mfs s GLN 45 Ca 0.54 -2.18 -0.14 0.00 -1.82 0.00 0.00 55.36 51.76 1mfs s GLN 45 Cb -0.03 -0.84 0.12 0.00 -1.09 0.00 0.00 33.01 31.17 1mfs s GLN 45 CO 0.36 -0.40 1.75 0.52 -1.32 0.00 0.00 175.29 176.20 1mfs h MET 46 N 1.75 0.32 0.00 9.60 2.86 -1.94 1.53 114.93 129.04 1mfs h MET 46 Ca -0.38 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1mfs h MET 46 Cb 1.28 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1mfs h MET 46 CO 0.62 0.21 0.00 -0.22 1.06 0.00 0.00 176.91 178.58 1mfs h LYS 47 N 0.32 0.00 0.00 1.72 1.63 -2.04 -0.97 116.57 117.23 1mfs h LYS 47 Ca 0.21 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1mfs h LYS 47 Cb 0.20 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1mfs h LYS 47 CO -0.21 0.00 -0.32 -0.25 -3.45 0.00 0.00 179.45 175.22 1mfs n ASP 48 N -2.86 1.94 -4.53 4.20 10.43 0.82 -4.98 116.55 121.56 1mfs n ASP 48 Ca -0.01 -3.58 -0.43 0.00 2.57 0.00 0.00 54.79 53.34 1mfs n ASP 48 Cb 0.18 -0.49 -0.05 0.00 1.84 0.00 0.00 41.12 42.60 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1mfs n THR 50 N 6.19 0.10 -3.09 0.00 5.66 -1.26 -4.72 114.28 117.17 1mfs n THR 50 Ca 0.02 -0.14 -0.43 0.00 -3.05 0.00 0.00 64.05 60.46 1mfs n THR 50 Cb 0.48 -0.01 -0.06 0.00 -1.55 0.00 0.00 70.33 69.19 1mfs n THR 50 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1mfs s GLU 51 N -1.90 3.23 -0.17 1.09 2.56 -1.26 -5.02 118.70 117.23 1mfs s GLU 51 Ca 0.22 -0.53 -0.29 0.00 0.00 0.00 0.00 54.97 54.37 1mfs s GLU 51 Cb 0.11 -4.01 -0.00 0.00 2.00 0.00 0.00 34.13 32.22 1mfs s GLU 51 CO 0.17 -1.14 1.02 -0.98 -0.56 0.00 0.00 175.26 173.76 1mfs s ARG 52 N 2.91 4.34 0.40 4.30 1.70 -1.26 -4.91 118.95 126.42 1mfs s ARG 52 Ca 0.21 1.36 0.06 0.00 -0.47 0.00 0.00 55.73 56.89 1mfs s ARG 52 Cb -0.16 -3.59 0.82 0.00 -0.57 0.00 0.00 34.95 31.45 1mfs s ARG 52 CO 0.17 -0.47 2.05 -0.56 -1.08 0.00 0.00 175.30 175.41 1mfs h GLN 53 N 7.28 0.60 0.00 3.89 -0.00 -1.97 -3.39 115.11 121.51 1mfs h GLN 53 Ca -0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1mfs h GLN 53 Cb 1.10 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 28.45 1mfs h GLN 53 CO 0.92 0.40 0.00 0.00 -0.00 0.00 0.00 178.83 180.14 1mfs n ALA 54 N -2.47 3.00 -1.65 0.06 0.00 -1.26 -5.31 120.51 112.88 1mfs n ALA 54 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1mfs n ALA 54 Cb 0.06 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1mfs n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59