#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs n GLN 2 N 0.00 0.36 -0.82 3.17 10.64 -1.26 -5.16 117.38 124.32 1mfs n GLN 2 Ca 0.00 -0.98 -0.29 0.00 -1.83 0.00 0.00 57.00 53.90 1mfs n GLN 2 Cb 0.00 -0.28 0.21 0.00 -0.86 0.00 0.00 30.24 29.31 1mfs n GLN 2 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1mfs s LYS 3 N 0.09 -0.05 1.04 2.61 3.01 -1.26 -4.98 119.74 120.20 1mfs s LYS 3 Ca 0.18 0.84 -0.14 0.00 -1.01 0.00 0.00 55.97 55.84 1mfs s LYS 3 Cb 0.26 -1.66 0.20 0.00 -1.01 0.00 0.00 37.83 35.63 1mfs s LYS 3 CO -0.14 -3.14 0.45 0.41 0.51 0.00 0.00 175.35 173.45 1mfs n GLY 4 N -0.04 -2.59 1.09 -3.33 0.00 -1.26 -4.96 105.19 94.10 1mfs n GLY 4 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1mfs n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mfs n ASN 5 N -1.73 -0.38 -3.60 1.61 0.23 -1.26 -5.16 115.26 104.97 1mfs n ASN 5 Ca 0.07 0.12 -0.07 0.00 -0.53 0.00 0.00 54.58 54.17 1mfs n ASN 5 Cb 0.33 0.61 -0.02 0.00 -2.08 0.00 0.00 39.78 38.63 1mfs n ASN 5 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1mfs s PHE 6 N -2.00 -0.30 0.00 -2.53 2.19 -1.26 -5.15 117.98 108.94 1mfs s PHE 6 Ca 0.00 0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.33 1mfs s PHE 6 Cb 0.00 0.59 0.00 0.00 -1.31 0.00 0.00 43.02 42.30 1mfs s PHE 6 CO 0.00 -0.74 0.00 2.89 1.83 0.00 0.00 175.22 179.20 1mfs n ARG 7 N -0.35 0.00 0.11 10.12 1.85 -1.26 -4.95 116.66 122.18 1mfs n ARG 7 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1mfs n ARG 7 Cb 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 1mfs n ARG 7 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mfs n ASN 8 N -3.98 -1.96 -4.66 2.89 3.02 -1.26 -5.11 115.26 104.21 1mfs n ASN 8 Ca 0.00 0.65 -0.56 0.00 -0.03 0.00 0.00 54.58 54.64 1mfs n ASN 8 Cb 0.00 2.06 -0.07 0.00 -0.61 0.00 0.00 39.78 41.16 1mfs n ASN 8 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1mfs n GLN 9 N -3.14 1.23 0.33 3.52 -0.06 -1.26 -4.85 117.38 113.14 1mfs n GLN 9 Ca 0.00 0.43 -0.18 0.00 -2.00 0.00 0.00 57.00 55.25 1mfs n GLN 9 Cb 0.00 -2.20 -0.10 0.00 -4.06 0.00 0.00 30.24 23.88 1mfs n GLN 9 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mfs h ARG 10 N 8.30 -1.00 -7.70 3.69 3.08 -2.02 -3.43 114.38 115.30 1mfs h ARG 10 Ca -0.43 0.07 -0.45 0.00 0.07 0.00 0.00 59.98 59.25 1mfs h ARG 10 Cb 1.32 0.23 0.16 0.00 0.08 0.00 0.00 29.97 31.75 1mfs h ARG 10 CO 0.97 -0.66 0.36 -1.59 -1.07 0.00 0.00 179.97 177.98 1mfs s LYS 11 N -5.91 0.56 0.60 0.04 -2.85 -1.26 -4.99 119.74 105.92 1mfs s LYS 11 Ca -0.18 -0.22 -0.20 0.00 -1.00 0.00 0.00 55.97 54.37 1mfs s LYS 11 Cb 0.04 -1.82 -0.03 0.00 -2.06 0.00 0.00 37.83 33.96 1mfs s LYS 11 CO 0.61 -2.50 1.27 -2.37 0.10 0.00 0.00 175.35 172.46 1mfs n THR 12 N -3.87 4.28 -3.67 3.79 5.66 -1.26 -5.01 114.28 114.20 1mfs n THR 12 Ca 0.13 -0.50 -0.20 0.00 -3.05 0.00 0.00 64.05 60.43 1mfs n THR 12 Cb 0.60 -1.51 -0.02 0.00 -1.55 0.00 0.00 70.33 67.84 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1mfs s VAL 13 N -1.36 3.72 -0.08 1.08 -7.23 -1.26 -4.96 120.40 110.31 1mfs s VAL 13 Ca 0.77 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1mfs s VAL 13 Cb -0.40 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.28 1mfs s VAL 13 CO 0.45 -0.16 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.35 1mfs s LYS 14 N -4.07 1.97 -0.40 4.82 0.00 -1.26 -0.24 119.74 120.56 1mfs s LYS 14 Ca 0.43 -0.49 -0.29 0.00 0.00 0.00 0.00 55.97 55.62 1mfs s LYS 14 Cb -0.07 -1.64 0.02 0.00 0.00 0.00 0.00 37.83 36.14 1mfs s LYS 14 CO 0.28 -0.00 1.09 0.00 0.00 0.00 0.00 175.35 176.73 1mfs n PHE 16 N 7.36 0.36 -0.12 0.00 7.35 -1.26 0.22 117.46 131.37 1mfs n PHE 16 Ca 0.12 -0.17 -0.18 0.00 -0.76 0.00 0.00 57.45 56.46 1mfs n PHE 16 Cb 0.48 -0.04 -0.11 0.00 0.35 0.00 0.00 39.48 40.16 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 0.18 2.08 -0.06 -2.13 2.85 -1.26 -4.72 115.26 112.19 1mfs n ASN 17 Ca 0.08 -0.10 -0.08 0.00 -0.11 0.00 0.00 54.58 54.36 1mfs n ASN 17 Cb 0.25 -0.41 -0.06 0.00 1.24 0.00 0.00 39.78 40.80 1mfs n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n GLY 19 N 2.91 1.66 3.62 0.00 0.00 0.13 -5.08 105.19 108.44 1mfs n GLY 19 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1mfs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 20 N -0.47 3.35 -0.23 1.61 1.02 -1.19 -4.86 119.74 118.97 1mfs s LYS 20 Ca 0.00 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 1mfs s LYS 20 Cb 0.00 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1mfs s LYS 20 CO 0.00 0.50 0.81 -1.83 -0.92 0.00 0.00 175.35 173.91 1mfs s GLU 21 N -0.32 4.20 0.00 1.68 -1.05 -1.26 -0.67 118.70 121.28 1mfs s GLU 21 Ca 0.07 0.91 0.00 0.00 -0.15 0.00 0.00 54.97 55.80 1mfs s GLU 21 Cb -0.12 -3.63 0.00 0.00 -0.44 0.00 0.00 34.13 29.94 1mfs s GLU 21 CO 0.02 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.17 1mfs n GLY 22 N 3.74 1.27 3.71 -3.83 0.00 0.67 -4.97 105.19 105.77 1mfs n GLY 22 Ca 0.05 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.68 0.33 1.61 -3.43 -1.26 -4.32 115.29 110.90 1mfs s HIS 23 Ca 0.00 -0.37 -0.01 0.00 -0.80 0.00 0.00 55.06 53.88 1mfs s HIS 23 Cb 0.00 -1.56 -0.04 0.00 -1.43 0.00 0.00 32.58 29.55 1mfs s HIS 23 CO 0.00 0.40 0.54 0.96 -2.00 0.00 0.00 174.74 174.64 1mfs s ILE 24 N -2.43 5.10 0.32 -5.38 -4.36 -1.26 -1.33 121.20 111.85 1mfs s ILE 24 Ca 0.36 -0.36 0.01 0.00 -0.26 0.00 0.00 60.65 60.41 1mfs s ILE 24 Cb -0.02 -3.83 0.28 0.00 1.25 0.00 0.00 42.46 40.13 1mfs s ILE 24 CO 0.22 -0.50 1.95 0.00 0.24 0.00 0.00 174.94 176.85 1mfs h ALA 25 N 1.00 1.52 0.00 2.27 0.00 -1.89 0.42 119.26 122.57 1mfs h ALA 25 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1mfs h ALA 25 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1mfs h ALA 25 CO 0.63 0.39 0.00 -0.22 0.00 0.00 0.00 179.25 180.05 1mfs h LYS 26 N 1.00 0.00 -0.08 0.00 3.64 -1.94 -0.51 116.57 118.68 1mfs h LYS 26 Ca 0.33 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1mfs h LYS 26 Cb 0.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1mfs h LYS 26 CO -0.10 0.00 -0.54 -1.71 -2.27 0.00 0.00 179.45 174.82 1mfs n ASN 27 N -2.91 2.03 -4.62 4.20 2.85 0.13 -5.00 115.26 111.94 1mfs n ASN 27 Ca -0.01 -3.86 -0.43 0.00 -0.11 0.00 0.00 54.58 50.17 1mfs n ASN 27 Cb 0.14 -0.51 -0.02 0.00 1.24 0.00 0.00 39.78 40.63 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 7.46 1.37 -1.16 0.00 1.74 -1.26 -4.94 116.66 119.87 1mfs n ARG 29 Ca 0.13 -0.58 -0.38 0.00 -0.77 0.00 0.00 57.85 56.26 1mfs n ARG 29 Cb 0.48 -1.17 0.02 0.00 -1.02 0.00 0.00 32.46 30.77 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfs n ALA 30 N -0.07 -3.84 0.45 7.54 0.00 -1.26 -4.81 120.51 118.52 1mfs n ALA 30 Ca 0.07 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.37 1mfs n ALA 30 Cb 0.15 -1.34 0.45 0.00 0.00 0.00 0.00 19.45 18.71 1mfs n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mfs h PRO 31 N -0.36 0.00 -6.17 0.00 0.13 -2.03 -3.46 132.00 120.11 1mfs h PRO 31 Ca -0.42 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 1mfs h PRO 31 Cb 1.39 0.00 0.24 0.00 0.13 0.00 0.00 31.00 32.76 1mfs h PRO 31 CO 0.35 0.00 -1.62 2.89 -0.23 0.00 0.00 178.00 179.39 1mfs n ARG 32 N -2.46 -0.08 -0.71 0.86 -4.01 -1.26 -5.00 116.66 103.99 1mfs n ARG 32 Ca 0.03 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 1mfs n ARG 32 Cb 0.35 -1.19 0.00 0.00 -3.04 0.00 0.00 32.46 28.58 1mfs n ARG 32 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1mfs n LYS 33 N 1.56 0.00 0.00 2.89 4.76 -1.26 -4.97 118.16 121.14 1mfs n LYS 33 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1mfs n LYS 33 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 1mfs n LYS 33 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mfs n LYS 34 N 0.00 0.00 0.00 1.97 5.02 -1.26 -4.90 118.16 118.99 1mfs n LYS 34 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mfs n LYS 34 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mfs n GLY 35 N 0.00 -0.50 3.63 0.72 0.00 -1.26 -4.71 105.19 103.07 1mfs n GLY 35 Ca 0.00 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 8.46 0.83 -0.10 0.00 7.02 -1.26 -0.04 117.44 132.34 1mfs n TRP 37 Ca 0.19 -0.33 -0.17 0.00 -1.02 0.00 0.00 57.50 56.16 1mfs n TRP 37 Cb 0.45 -0.15 -0.09 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 0.48 -0.03 -0.99 4.81 -1.26 -4.68 118.16 117.04 1mfs n LYS 38 Ca 0.15 0.15 0.01 0.00 -0.87 0.00 0.00 58.31 57.75 1mfs n LYS 38 Cb 0.54 -1.34 -0.10 0.00 0.02 0.00 0.00 35.03 34.15 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mfs n GLY 40 N 1.97 0.72 3.79 0.00 0.00 0.94 -5.05 105.19 107.56 1mfs n GLY 40 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1mfs n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 41 N -0.73 4.43 0.30 1.61 1.02 -1.20 -4.71 119.74 120.46 1mfs s LYS 41 Ca 0.00 1.00 0.04 0.00 0.02 0.00 0.00 55.97 57.03 1mfs s LYS 41 Cb 0.00 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 1mfs s LYS 41 CO 0.00 0.59 0.45 -1.83 -0.92 0.00 0.00 175.35 173.64 1mfs s GLU 42 N -1.10 3.39 0.00 1.68 -1.05 -1.26 -0.44 118.70 119.92 1mfs s GLU 42 Ca 0.33 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1mfs s GLU 42 Cb -0.22 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 1mfs s GLU 42 CO 0.23 0.26 0.00 0.41 0.95 0.00 0.00 175.26 177.11 1mfs n GLY 43 N -1.59 0.20 1.11 -3.83 0.00 -1.26 -4.90 105.19 94.92 1mfs n GLY 43 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.96 -0.94 -3.44 1.61 1.44 -1.26 -4.81 115.22 105.85 1mfs n HIS 44 Ca 0.00 -0.71 -0.00 0.00 -2.01 0.00 0.00 57.72 54.99 1mfs n HIS 44 Cb 0.00 0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.32 1mfs n HIS 44 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1mfs n GLN 45 N -0.18 0.05 -0.31 -1.40 6.02 -1.26 -2.97 117.38 117.33 1mfs n GLN 45 Ca -0.01 -0.12 0.15 0.00 -0.01 0.00 0.00 57.00 57.02 1mfs n GLN 45 Cb 0.19 0.16 0.33 0.00 1.02 0.00 0.00 30.24 31.94 1mfs n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mfs h MET 46 N 0.00 0.30 -1.00 -1.09 -0.00 -1.96 1.56 114.93 112.74 1mfs h MET 46 Ca -0.02 -0.02 0.40 0.00 -0.00 0.00 0.00 59.70 60.06 1mfs h MET 46 Cb 0.09 -0.07 -0.18 0.00 -0.00 0.00 0.00 31.60 31.45 1mfs h MET 46 CO 0.03 0.20 0.47 -0.22 -0.00 0.00 0.00 176.91 177.39 1mfs h LYS 47 N 0.31 0.02 -0.49 -0.10 3.11 -2.04 -1.34 116.57 116.03 1mfs h LYS 47 Ca 0.59 -0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 58.18 1mfs h LYS 47 Cb 1.20 -0.00 -0.37 0.00 -1.00 0.00 0.00 32.23 32.06 1mfs h LYS 47 CO -0.59 0.01 -1.03 -0.25 -2.81 0.00 0.00 179.45 174.78 1mfs n ASP 48 N -5.28 1.13 -4.59 4.20 9.92 0.13 -5.06 116.55 117.00 1mfs n ASP 48 Ca 0.36 -2.19 -0.43 0.00 -0.53 0.00 0.00 54.79 52.00 1mfs n ASP 48 Cb 1.20 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 41.33 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mfs n THR 50 N 6.73 0.45 -3.69 0.00 5.66 -1.26 -3.94 114.28 118.23 1mfs n THR 50 Ca 0.10 0.11 -0.34 0.00 -3.05 0.00 0.00 64.05 60.87 1mfs n THR 50 Cb 0.49 -0.83 -0.08 0.00 -1.55 0.00 0.00 70.33 68.37 1mfs n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1mfs n GLU 51 N -1.26 2.47 -4.05 1.09 4.07 -1.26 -5.01 120.64 116.68 1mfs n GLU 51 Ca 0.09 -4.49 -0.32 0.00 -0.06 0.00 0.00 57.16 52.38 1mfs n GLU 51 Cb 0.13 -2.38 -0.15 0.00 -0.06 0.00 0.00 31.44 28.98 1mfs n GLU 51 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1mfs s ARG 52 N -1.47 2.25 -1.13 5.31 3.52 -1.25 -4.65 118.95 121.51 1mfs s ARG 52 Ca 0.27 -1.20 -0.05 0.00 -0.13 0.00 0.00 55.73 54.63 1mfs s ARG 52 Cb -0.05 -2.77 0.27 0.00 -1.56 0.00 0.00 34.95 30.83 1mfs s ARG 52 CO -0.13 -0.51 1.70 1.04 -0.81 0.00 0.00 175.30 176.58 1mfs n GLN 53 N 4.50 4.48 0.05 5.12 1.13 -1.26 -4.49 117.38 126.91 1mfs n GLN 53 Ca -0.15 -4.27 0.00 0.00 -1.94 0.00 0.00 57.00 50.65 1mfs n GLN 53 Cb 0.44 -2.60 0.00 0.00 0.11 0.00 0.00 30.24 28.18 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mfs n ALA 54 N 1.66 3.00 -0.04 -1.58 0.00 -1.26 -5.32 120.51 116.98 1mfs n ALA 54 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1mfs n ALA 54 Cb 0.32 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77