#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 0.00 0.11 0.03 0.00 -1.26 -5.05 117.38 111.21 1mfs n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1mfs n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1mfs n GLN 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1mfs n LYS 3 N 0.00 0.00 -3.65 3.69 4.81 -1.26 -5.14 118.16 116.61 1mfs n LYS 3 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1mfs n LYS 3 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1mfs n LYS 3 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mfs s GLY 4 N -1.73 -0.52 0.00 3.14 0.00 -1.26 -5.06 107.32 101.90 1mfs s GLY 4 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1mfs s GLY 4 CO 0.00 1.81 0.00 -2.01 0.00 0.00 0.00 173.10 172.90 1mfs n ASN 5 N 3.26 0.00 -0.04 1.64 2.85 -1.26 -5.05 115.26 116.66 1mfs n ASN 5 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1mfs n ASN 5 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1mfs n ASN 5 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1mfs n PHE 6 N 0.00 -0.52 0.00 1.20 -1.74 -1.14 -4.60 117.46 110.66 1mfs n PHE 6 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1mfs n PHE 6 Cb 0.00 0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.02 1mfs n PHE 6 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1mfs n ARG 7 N -0.08 0.00 0.04 3.97 5.12 -1.26 -2.70 116.66 121.75 1mfs n ARG 7 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1mfs n ARG 7 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1mfs n ARG 7 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1mfs n ASN 8 N 2.39 -0.01 -4.58 0.55 5.15 -1.26 -4.96 115.26 112.54 1mfs n ASN 8 Ca 0.00 0.12 -0.28 0.00 -0.60 0.00 0.00 54.58 53.83 1mfs n ASN 8 Cb 0.00 0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.28 1mfs n ASN 8 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1mfs s GLN 9 N -2.00 2.43 -0.37 1.20 2.00 -1.10 -4.55 119.66 117.28 1mfs s GLN 9 Ca 0.00 -1.13 -0.04 0.00 -2.00 0.00 0.00 55.36 52.19 1mfs s GLN 9 Cb 0.00 -5.23 0.20 0.00 0.80 0.00 0.00 33.01 28.78 1mfs s GLN 9 CO 0.00 -4.06 0.99 0.50 -0.50 0.00 0.00 175.29 172.22 1mfs s ARG 10 N 6.56 0.38 -0.03 1.67 3.52 -1.26 -2.89 118.95 126.90 1mfs s ARG 10 Ca 0.69 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 56.05 1mfs s ARG 10 Cb -0.01 0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1mfs s ARG 10 CO 0.13 -0.50 -0.22 -1.59 -0.81 0.00 0.00 175.30 172.32 1mfs s LYS 11 N 1.31 2.30 0.02 5.12 0.00 -1.26 -5.05 119.74 122.19 1mfs s LYS 11 Ca 0.21 -0.84 -0.11 0.00 0.00 0.00 0.00 55.97 55.23 1mfs s LYS 11 Cb 0.07 -2.17 0.01 0.00 0.00 0.00 0.00 37.83 35.73 1mfs s LYS 11 CO -0.11 0.56 0.22 0.99 0.00 0.00 0.00 175.35 177.02 1mfs s THR 12 N -0.60 0.09 0.99 3.79 2.01 -1.26 -5.09 115.64 115.57 1mfs s THR 12 Ca 0.09 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1mfs s THR 12 Cb -0.11 -0.73 -0.12 0.00 0.01 0.00 0.00 72.50 71.55 1mfs s THR 12 CO -0.00 -0.40 -0.66 1.33 -0.69 0.00 0.00 174.62 174.20 1mfs n VAL 13 N 1.00 0.00 -4.91 3.82 0.24 -1.26 -4.33 118.33 112.89 1mfs n VAL 13 Ca -0.20 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.34 61.33 1mfs n VAL 13 Cb 0.57 -0.09 -0.15 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.24 3.10 -0.46 7.34 -2.85 -1.24 -1.20 119.74 122.19 1mfs s LYS 14 Ca 0.42 -0.74 -0.29 0.00 -1.00 0.00 0.00 55.97 54.37 1mfs s LYS 14 Cb -0.17 -2.49 0.03 0.00 -2.06 0.00 0.00 37.83 33.13 1mfs s LYS 14 CO 0.80 0.30 1.12 0.00 0.10 0.00 0.00 175.35 177.67 1mfs n PHE 16 N 7.70 0.28 -0.10 0.00 -0.00 -1.26 0.22 117.46 124.30 1mfs n PHE 16 Ca 0.12 -0.14 -0.21 0.00 -0.00 0.00 0.00 57.45 57.21 1mfs n PHE 16 Cb 0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 39.85 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1mfs n ASN 17 N 0.15 2.00 -0.08 -2.13 5.15 -1.26 -4.68 115.26 114.40 1mfs n ASN 17 Ca 0.10 0.07 -0.10 0.00 -0.60 0.00 0.00 54.58 54.05 1mfs n ASN 17 Cb 0.21 -0.63 -0.07 0.00 -0.53 0.00 0.00 39.78 38.76 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 2.72 1.84 3.35 0.00 0.00 0.13 -5.09 105.19 108.15 1mfs n GLY 19 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.64 2.45 0.16 1.61 3.01 -1.14 -4.88 119.74 120.31 1mfs s LYS 20 Ca 0.00 -0.84 -0.25 0.00 -1.01 0.00 0.00 55.97 53.88 1mfs s LYS 20 Cb 0.00 -2.22 -0.08 0.00 -1.01 0.00 0.00 37.83 34.52 1mfs s LYS 20 CO 0.00 0.50 0.76 -1.83 0.51 0.00 0.00 175.35 175.29 1mfs s GLU 21 N -0.44 4.53 0.00 1.68 -1.05 -1.26 -0.62 118.70 121.55 1mfs s GLU 21 Ca 0.05 1.12 0.00 0.00 -0.15 0.00 0.00 54.97 55.98 1mfs s GLU 21 Cb -0.12 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 1mfs s GLU 21 CO 0.01 0.57 0.00 0.41 0.95 0.00 0.00 175.26 177.21 1mfs n GLY 22 N 1.62 1.09 3.69 -3.83 0.00 -0.34 -4.93 105.19 102.49 1mfs n GLY 22 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.39 0.29 0.32 1.61 -3.43 -1.23 -4.82 115.29 107.63 1mfs s HIS 23 Ca 0.00 -0.73 0.07 0.00 -0.80 0.00 0.00 55.06 53.60 1mfs s HIS 23 Cb 0.00 0.42 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 1mfs s HIS 23 CO 0.00 -1.21 0.38 0.96 -2.00 0.00 0.00 174.74 172.86 1mfs s ILE 24 N -3.44 4.08 0.22 -5.38 -4.36 -1.26 -0.75 121.20 110.30 1mfs s ILE 24 Ca 0.19 -1.15 -0.09 0.00 -0.26 0.00 0.00 60.65 59.35 1mfs s ILE 24 Cb -0.03 -3.39 0.16 0.00 1.25 0.00 0.00 42.46 40.45 1mfs s ILE 24 CO 0.11 -0.20 1.84 0.00 0.24 0.00 0.00 174.94 176.92 1mfs h ALA 25 N 1.09 0.97 0.00 2.27 0.00 -1.89 0.38 119.26 122.09 1mfs h ALA 25 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1mfs h ALA 25 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1mfs h ALA 25 CO 0.56 0.18 0.00 -0.22 0.00 0.00 0.00 179.25 179.77 1mfs h LYS 26 N 0.83 0.00 -0.31 0.00 3.64 -1.97 0.37 116.57 119.13 1mfs h LYS 26 Ca 0.31 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.49 1mfs h LYS 26 Cb 0.11 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.80 1mfs h LYS 26 CO -0.15 0.00 -0.33 -1.71 -2.27 0.00 0.00 179.45 174.99 1mfs n ASN 27 N -2.86 2.78 -4.65 4.20 5.15 0.12 -5.00 115.26 115.01 1mfs n ASN 27 Ca -0.02 -3.83 -0.42 0.00 -0.60 0.00 0.00 54.58 49.70 1mfs n ASN 27 Cb 0.11 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 38.77 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n ARG 29 N 6.29 1.35 -1.57 0.00 -4.01 -1.26 -5.07 116.66 112.39 1mfs n ARG 29 Ca 0.09 -1.51 0.07 0.00 -1.04 0.00 0.00 57.85 55.45 1mfs n ARG 29 Cb 0.47 -1.32 -0.04 0.00 -3.04 0.00 0.00 32.46 28.53 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1mfs n ALA 30 N 0.94 -2.69 -1.56 2.89 0.00 -1.26 -4.89 120.51 113.93 1mfs n ALA 30 Ca 0.10 0.67 -0.31 0.00 0.00 0.00 0.00 53.44 53.91 1mfs n ALA 30 Cb 0.42 -1.55 0.07 0.00 0.00 0.00 0.00 19.45 18.39 1mfs n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mfs s PRO 31 N -5.07 2.57 0.00 0.00 0.04 -1.26 -5.06 135.00 126.22 1mfs s PRO 31 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1mfs s PRO 31 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1mfs s PRO 31 CO 0.00 -1.33 0.00 0.54 0.04 0.00 0.00 177.00 176.25 1mfs n ARG 32 N -3.26 0.00 -3.61 4.56 1.74 -1.26 -5.16 116.66 109.67 1mfs n ARG 32 Ca 0.07 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.17 1mfs n ARG 32 Cb 0.55 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.98 1mfs n ARG 32 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1mfs s LYS 33 N 0.10 0.32 0.00 5.56 2.20 -1.26 -5.00 119.74 121.66 1mfs s LYS 33 Ca 0.00 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1mfs s LYS 33 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1mfs s LYS 33 CO 0.00 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 1mfs n LYS 34 N -0.44 0.00 -0.78 4.03 5.02 -1.26 -4.88 118.16 119.85 1mfs n LYS 34 Ca -0.08 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 1mfs n LYS 34 Cb 0.62 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.73 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 -2.55 3.62 0.72 0.00 -1.26 -4.68 105.19 101.04 1mfs n GLY 35 Ca 0.00 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 9.97 0.84 -0.10 0.00 -0.00 -1.26 -0.01 117.44 126.88 1mfs n TRP 37 Ca 0.26 -0.34 -0.16 0.00 -0.00 0.00 0.00 57.50 57.26 1mfs n TRP 37 Cb 0.43 -0.15 -0.08 0.00 -0.00 0.00 0.00 31.31 31.51 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 -0.03 5.87 4.81 -1.26 -4.69 118.16 123.86 1mfs n LYS 38 Ca 0.15 0.14 0.01 0.00 -0.87 0.00 0.00 58.31 57.73 1mfs n LYS 38 Cb 0.55 -1.31 -0.10 0.00 0.02 0.00 0.00 35.03 34.19 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 1.99 0.84 3.57 0.00 0.00 0.98 -4.80 105.19 107.78 1mfs n GLY 40 Ca -0.10 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.67 3.88 0.08 1.61 2.20 -1.10 -4.79 119.74 120.95 1mfs s LYS 41 Ca 0.00 -0.37 -0.27 0.00 -0.36 0.00 0.00 55.97 54.97 1mfs s LYS 41 Cb 0.00 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1mfs s LYS 41 CO 0.00 -0.21 0.84 -1.83 -0.36 0.00 0.00 175.35 173.79 1mfs s GLU 42 N 1.74 4.58 0.00 4.03 -1.05 -1.26 0.13 118.70 126.87 1mfs s GLU 42 Ca 0.07 1.22 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 1mfs s GLU 42 Cb -0.16 -3.36 0.00 0.00 -0.44 0.00 0.00 34.13 30.17 1mfs s GLU 42 CO 0.10 0.28 0.00 0.41 0.95 0.00 0.00 175.26 177.01 1mfs n GLY 43 N 2.27 1.57 2.30 -3.83 0.00 -1.26 -4.87 105.19 101.38 1mfs n GLY 43 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -1.02 -2.75 1.61 1.44 -1.25 -5.03 115.22 108.22 1mfs n HIS 44 Ca 0.00 -1.68 0.00 0.00 -2.01 0.00 0.00 57.72 54.03 1mfs n HIS 44 Cb 0.00 0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.46 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 -0.41 0.00 -0.32 -1.40 3.00 -1.26 -2.06 117.38 114.93 1mfs n GLN 45 Ca 0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.21 1mfs n GLN 45 Cb 0.41 0.00 0.47 0.00 0.00 0.00 0.00 30.24 31.12 1mfs n GLN 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfs h MET 46 N 0.00 0.45 -1.89 -1.09 -0.00 -1.97 0.25 114.93 110.68 1mfs h MET 46 Ca 0.00 -0.03 0.56 0.00 -0.00 0.00 0.00 59.70 60.23 1mfs h MET 46 Cb 0.00 -0.10 -0.09 0.00 -0.00 0.00 0.00 31.60 31.41 1mfs h MET 46 CO 0.00 0.30 1.35 1.17 -0.00 0.00 0.00 176.91 179.73 1mfs n LYS 47 N -4.65 -0.01 -2.70 -0.10 4.81 -1.26 -1.33 118.16 112.93 1mfs n LYS 47 Ca 0.24 1.10 -0.05 0.00 -0.87 0.00 0.00 58.31 58.74 1mfs n LYS 47 Cb 0.79 -2.49 0.10 0.00 0.02 0.00 0.00 35.03 33.45 1mfs n LYS 47 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1mfs n ASP 48 N -4.03 -0.92 -4.52 3.14 -0.08 0.58 -5.09 116.55 105.64 1mfs n ASP 48 Ca 0.44 -2.35 -0.43 0.00 -1.51 0.00 0.00 54.79 50.94 1mfs n ASP 48 Cb 1.95 0.53 -0.06 0.00 2.34 0.00 0.00 41.12 45.88 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 5.98 0.00 -4.20 0.00 -1.04 -1.26 -4.69 114.28 109.07 1mfs n THR 50 Ca -0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1mfs n THR 50 Cb 0.48 -0.49 -0.08 0.00 -1.82 0.00 0.00 70.33 68.41 1mfs n THR 50 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1mfs s GLU 51 N -2.00 2.37 0.28 -2.82 2.12 -1.26 -3.04 118.70 114.35 1mfs s GLU 51 Ca 0.37 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1mfs s GLU 51 Cb 0.17 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1mfs s GLU 51 CO 0.29 0.48 0.00 -2.13 -0.54 0.00 0.00 175.26 173.35 1mfs n ARG 52 N 0.12 -4.05 0.00 4.30 3.00 -1.26 -4.45 116.66 114.31 1mfs n ARG 52 Ca -0.10 2.93 0.00 0.00 -0.00 0.00 0.00 57.85 60.67 1mfs n ARG 52 Cb 0.54 -3.21 0.00 0.00 0.00 0.00 0.00 32.46 29.79 1mfs n ARG 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1mfs n GLN 53 N 0.37 0.00 -0.11 -0.14 3.00 -1.26 -3.84 117.38 115.40 1mfs n GLN 53 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1mfs n GLN 53 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.15 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfs h ALA 54 N -0.56 -0.78 0.00 -1.58 0.00 -1.84 -3.53 119.26 110.97 1mfs h ALA 54 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mfs h ALA 54 Cb 0.00 1.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mfs h ALA 54 CO 0.00 -1.02 0.00 -1.71 0.00 0.00 0.00 179.25 176.52