#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 -0.39 -3.63 0.03 7.27 -1.26 -4.82 117.38 114.58 1mfs n GLN 2 Ca 0.00 1.45 0.00 0.00 0.07 0.00 0.00 57.00 58.52 1mfs n GLN 2 Cb 0.00 -2.13 -0.01 0.00 2.41 0.00 0.00 30.24 30.52 1mfs n GLN 2 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1mfs s LYS 3 N -5.53 0.47 0.00 3.69 -0.14 -1.26 -5.16 119.74 111.80 1mfs s LYS 3 Ca -0.12 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 1mfs s LYS 3 Cb 0.12 0.16 0.00 0.00 -1.68 0.00 0.00 37.83 36.43 1mfs s LYS 3 CO 0.60 -0.21 0.00 0.41 -0.76 0.00 0.00 175.35 175.39 1mfs n GLY 4 N -0.45 -3.09 3.15 -3.33 0.00 -1.26 -5.07 105.19 95.14 1mfs n GLY 4 Ca -0.07 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.21 1mfs n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mfs s ASN 5 N -1.90 -0.37 0.00 1.61 0.01 -1.26 -5.05 114.94 107.98 1mfs s ASN 5 Ca 0.00 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1mfs s ASN 5 Cb 0.00 1.24 0.00 0.00 0.41 0.00 0.00 41.25 42.90 1mfs s ASN 5 CO 0.00 -0.07 0.00 0.49 -1.51 0.00 0.00 177.10 176.01 1mfs n PHE 6 N 5.13 0.00 -2.79 2.20 3.72 -1.26 -4.52 117.46 119.95 1mfs n PHE 6 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 1mfs n PHE 6 Cb 0.58 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1mfs n PHE 6 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1mfs s ARG 7 N 0.00 4.33 0.00 -1.08 3.03 -1.26 -4.98 118.95 118.99 1mfs s ARG 7 Ca 0.00 1.19 0.00 0.00 2.03 0.00 0.00 55.73 58.95 1mfs s ARG 7 Cb 0.00 -3.58 0.00 0.00 -1.03 0.00 0.00 34.95 30.34 1mfs s ARG 7 CO 0.00 -0.38 0.00 0.27 -1.13 0.00 0.00 175.30 174.06 1mfs n ASN 8 N 5.35 0.00 -3.64 -2.89 0.23 -1.26 -5.03 115.26 108.02 1mfs n ASN 8 Ca 0.07 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.10 1mfs n ASN 8 Cb 0.48 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.14 1mfs n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mfs s GLN 9 N -1.31 0.05 0.00 -3.83 0.00 -1.26 -5.01 119.66 108.30 1mfs s GLN 9 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 55.36 55.38 1mfs s GLN 9 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 33.01 33.04 1mfs s GLN 9 CO 0.00 -0.02 0.00 0.54 0.00 0.00 0.00 175.29 175.81 1mfs n ARG 10 N 0.58 0.00 -1.14 9.60 5.12 -1.26 -4.83 116.66 124.73 1mfs n ARG 10 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1mfs n ARG 10 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 1mfs n ARG 10 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1mfs n LYS 11 N 0.00 -3.16 0.00 5.56 5.02 -1.26 -4.07 118.16 120.25 1mfs n LYS 11 Ca 0.00 2.40 0.14 0.00 -2.02 0.00 0.00 58.31 58.83 1mfs n LYS 11 Cb 0.00 -2.83 0.75 0.00 -0.02 0.00 0.00 35.03 32.93 1mfs n LYS 11 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1mfs n THR 12 N -1.55 0.07 -0.97 -0.18 -1.04 -1.26 -3.98 114.28 105.38 1mfs n THR 12 Ca 0.00 0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.68 1mfs n THR 12 Cb 0.16 -0.57 0.06 0.00 -1.82 0.00 0.00 70.33 68.16 1mfs n THR 12 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1mfs n VAL 13 N -1.16 0.10 -5.12 12.58 0.24 -1.26 -4.49 118.33 119.21 1mfs n VAL 13 Ca 0.17 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 1mfs n VAL 13 Cb 0.16 -0.23 -0.17 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.48 2.55 -0.28 7.34 -2.85 -1.25 -1.12 119.74 121.66 1mfs s LYS 14 Ca 0.47 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 54.35 1mfs s LYS 14 Cb -0.22 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 1mfs s LYS 14 CO 0.76 0.25 1.26 0.00 0.10 0.00 0.00 175.35 177.72 1mfs n PHE 16 N 7.35 0.41 -0.09 0.00 7.35 -1.26 0.22 117.46 131.43 1mfs n PHE 16 Ca 0.14 -0.17 -0.19 0.00 -0.76 0.00 0.00 57.45 56.47 1mfs n PHE 16 Cb 0.46 -0.08 -0.07 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 0.15 1.48 -0.09 -2.13 5.15 -1.26 -4.47 115.26 114.09 1mfs n ASN 17 Ca 0.07 0.19 -0.10 0.00 -0.60 0.00 0.00 54.58 54.14 1mfs n ASN 17 Cb 0.31 -0.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.92 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 2.02 0.30 3.76 0.00 0.00 0.13 -5.06 105.19 106.35 1mfs n GLY 19 Ca -0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.98 4.67 -0.03 1.61 -0.14 -1.24 -4.64 119.74 118.99 1mfs s LYS 20 Ca 0.00 1.49 -0.14 0.00 -1.36 0.00 0.00 55.97 55.95 1mfs s LYS 20 Cb 0.00 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 33.06 1mfs s LYS 20 CO 0.00 0.33 0.39 -1.83 -0.76 0.00 0.00 175.35 173.48 1mfs s GLU 21 N -1.64 3.95 0.00 1.68 4.04 -1.26 -0.42 118.70 125.04 1mfs s GLU 21 Ca 0.46 0.36 0.00 0.00 0.04 0.00 0.00 54.97 55.83 1mfs s GLU 21 Cb -0.24 -3.25 0.00 0.00 0.02 0.00 0.00 34.13 30.66 1mfs s GLU 21 CO 0.30 0.61 0.00 0.41 -1.84 0.00 0.00 175.26 174.75 1mfs n GLY 22 N 2.08 0.99 3.43 -3.83 0.00 -0.27 -4.95 105.19 102.63 1mfs n GLY 22 Ca -0.14 0.00 -0.10 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 -0.68 0.11 0.32 1.61 -3.43 -1.25 -4.43 115.29 107.54 1mfs s HIS 23 Ca 0.00 -0.47 0.03 0.00 -0.80 0.00 0.00 55.06 53.82 1mfs s HIS 23 Cb 0.00 0.18 -0.02 0.00 -1.43 0.00 0.00 32.58 31.31 1mfs s HIS 23 CO 0.00 -0.82 0.49 0.96 -2.00 0.00 0.00 174.74 173.37 1mfs s ILE 24 N -3.91 4.83 0.28 -5.38 -4.36 -1.26 -0.54 121.20 110.85 1mfs s ILE 24 Ca 0.12 -0.74 -0.03 0.00 -0.26 0.00 0.00 60.65 59.75 1mfs s ILE 24 Cb 0.01 -3.73 0.22 0.00 1.25 0.00 0.00 42.46 40.21 1mfs s ILE 24 CO -0.02 -0.38 1.90 0.00 0.24 0.00 0.00 174.94 176.68 1mfs h ALA 25 N 0.87 1.30 0.00 2.27 0.00 -1.89 0.16 119.26 121.97 1mfs h ALA 25 Ca -0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1mfs h ALA 25 Cb 1.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1mfs h ALA 25 CO 0.59 0.57 0.00 -0.22 0.00 0.00 0.00 179.25 180.19 1mfs h LYS 26 N 1.05 0.00 -0.26 0.00 3.11 -1.97 -0.47 116.57 118.03 1mfs h LYS 26 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 1mfs h LYS 26 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1mfs h LYS 26 CO -0.04 0.00 0.00 -1.71 -2.81 0.00 0.00 179.45 174.89 1mfs n ASN 27 N -2.88 3.81 -4.64 4.20 2.85 0.38 -4.97 115.26 114.01 1mfs n ASN 27 Ca -0.00 -2.94 -0.43 0.00 -0.11 0.00 0.00 54.58 51.10 1mfs n ASN 27 Cb 0.21 -0.52 -0.02 0.00 1.24 0.00 0.00 39.78 40.69 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 7.05 0.97 -1.46 0.00 1.74 -1.26 -4.85 116.66 118.84 1mfs n ARG 29 Ca 0.15 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 1mfs n ARG 29 Cb 0.46 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.92 0.29 -0.96 7.54 0.00 -1.26 -4.68 120.51 120.51 1mfs n ALA 30 Ca 0.20 -0.28 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 1mfs n ALA 30 Cb 0.09 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 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 8.24 2.67 -3.05 0.00 -0.04 -1.26 -4.70 135.00 136.87 1mfs n PRO 31 Ca 0.64 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1mfs n PRO 31 Cb 0.03 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 3.83 -0.33 0.00 0.54 0.63 -1.26 -4.91 116.66 115.16 1mfs n ARG 32 Ca 0.57 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 58.27 1mfs n ARG 32 Cb 0.21 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1mfs n ARG 32 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1mfs n LYS 33 N 1.37 0.00 0.00 -0.14 -0.00 -1.26 -5.02 118.16 113.10 1mfs n LYS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1mfs n LYS 33 Cb 0.43 -0.07 0.00 0.00 -0.00 0.00 0.00 35.03 35.40 1mfs n LYS 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1mfs n LYS 34 N -2.16 0.00 0.00 -1.58 4.01 -1.26 -5.01 118.16 112.16 1mfs n LYS 34 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1mfs n LYS 34 Cb 0.00 -0.46 0.00 0.00 -0.51 0.00 0.00 35.03 34.06 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mfs n GLY 35 N 0.00 1.49 3.71 0.72 0.00 -1.24 -4.19 105.19 105.67 1mfs n GLY 35 Ca 0.00 0.30 -0.63 0.00 0.00 0.00 0.00 46.02 45.68 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 4.81 0.77 -0.10 0.00 -0.00 -1.26 0.18 117.44 121.84 1mfs n TRP 37 Ca 0.31 -0.32 -0.18 0.00 -0.00 0.00 0.00 57.50 57.32 1mfs n TRP 37 Cb 0.02 -0.12 -0.08 0.00 -0.00 0.00 0.00 31.31 31.12 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1mfs n LYS 38 N 0.56 0.45 -0.04 5.87 3.00 -1.26 -4.71 118.16 122.02 1mfs n LYS 38 Ca 0.14 0.15 -0.01 0.00 -0.00 0.00 0.00 58.31 58.59 1mfs n LYS 38 Cb 0.50 -1.29 -0.10 0.00 0.00 0.00 0.00 35.03 34.15 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 2.08 0.81 3.58 0.00 0.00 0.13 -4.25 105.19 107.54 1mfs n GLY 40 Ca -0.13 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.69 3.62 -0.82 1.61 2.20 -1.12 -4.52 119.74 120.01 1mfs s LYS 41 Ca 0.00 0.37 -0.19 0.00 -0.36 0.00 0.00 55.97 55.80 1mfs s LYS 41 Cb 0.00 -3.94 -0.13 0.00 -1.51 0.00 0.00 37.83 32.25 1mfs s LYS 41 CO 0.00 -1.40 1.97 -0.85 -0.36 0.00 0.00 175.35 174.71 1mfs n GLU 42 N 7.77 1.66 0.00 4.03 0.28 -1.26 0.22 120.64 133.34 1mfs n GLU 42 Ca 0.10 -1.80 0.00 0.00 -0.16 0.00 0.00 57.16 55.29 1mfs n GLU 42 Cb 0.49 -2.85 0.00 0.00 1.43 0.00 0.00 31.44 30.51 1mfs n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mfs n GLY 43 N 4.37 -2.05 3.90 -1.84 0.00 -1.26 -4.72 105.19 103.58 1mfs n GLY 43 Ca 0.49 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.85 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 -0.87 3.22 0.43 1.61 -3.43 -1.23 -4.77 115.29 110.24 1mfs s HIS 44 Ca 0.00 0.86 0.06 0.00 -0.80 0.00 0.00 55.06 55.19 1mfs s HIS 44 Cb 0.00 -3.07 -0.06 0.00 -1.43 0.00 0.00 32.58 28.02 1mfs s HIS 44 CO 0.00 -1.21 0.08 -0.65 -2.00 0.00 0.00 174.74 170.97 1mfs s GLN 45 N -5.30 2.09 0.12 -0.38 1.11 -1.25 0.03 119.66 116.08 1mfs s GLN 45 Ca 0.58 -2.04 -0.24 0.00 0.01 0.00 0.00 55.36 53.67 1mfs s GLN 45 Cb -0.11 -1.77 -0.06 0.00 -1.01 0.00 0.00 33.01 30.06 1mfs s GLN 45 CO 0.49 -0.12 1.67 0.52 0.01 0.00 0.00 175.29 177.86 1mfs h MET 46 N 1.57 -0.24 0.00 2.91 2.86 -1.94 1.52 114.93 121.62 1mfs h MET 46 Ca -0.43 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1mfs h MET 46 Cb 1.25 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1mfs h MET 46 CO 0.76 -0.16 0.04 -0.22 1.06 0.00 0.00 176.91 178.39 1mfs h LYS 47 N -0.25 0.00 -0.56 1.72 3.11 -2.04 -0.22 116.57 118.33 1mfs h LYS 47 Ca 0.06 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 57.52 1mfs h LYS 47 Cb 0.33 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 31.16 1mfs h LYS 47 CO -0.17 0.00 -0.95 -3.47 -2.81 0.00 0.00 179.45 172.05 1mfs n ASP 48 N -2.82 3.20 -4.58 4.20 2.03 0.57 -5.03 116.55 114.12 1mfs n ASP 48 Ca -0.02 -2.94 -0.42 0.00 0.52 0.00 0.00 54.79 51.92 1mfs n ASP 48 Cb 0.10 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.07 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mfs n THR 50 N 6.79 0.57 -3.27 0.00 5.66 -1.26 -4.75 114.28 118.02 1mfs n THR 50 Ca 0.11 -0.56 0.03 0.00 -3.05 0.00 0.00 64.05 60.58 1mfs n THR 50 Cb 0.49 0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 69.51 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 -1.45 0.24 0.23 1.09 2.12 -1.26 -5.06 118.70 114.61 1mfs s GLU 51 Ca 0.28 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.13 1mfs s GLU 51 Cb 0.15 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.84 1mfs s GLU 51 CO 0.19 -0.16 0.00 0.54 -0.54 0.00 0.00 175.26 175.29 1mfs n ARG 52 N 5.14 0.00 -1.42 4.30 5.12 -1.26 -4.73 116.66 123.80 1mfs n ARG 52 Ca -0.08 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.03 1mfs n ARG 52 Cb 0.53 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.77 1mfs n ARG 52 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1mfs n GLN 53 N -3.05 -3.06 -1.39 5.56 3.00 -1.26 -4.99 117.38 112.18 1mfs n GLN 53 Ca 0.00 2.27 0.18 0.00 -0.01 0.00 0.00 57.00 59.44 1mfs n GLN 53 Cb 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 30.24 26.51 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfs n ALA 54 N -3.25 -3.63 0.00 -1.58 0.00 -1.26 -5.14 120.51 105.65 1mfs n ALA 54 Ca -0.04 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1mfs n ALA 54 Cb 0.66 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77