#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 -1.28 0.03 3.17 -0.44 -1.26 -4.96 119.66 114.92 1mfs s GLN 2 Ca 0.00 0.74 -0.20 0.00 -2.50 0.00 0.00 55.36 53.40 1mfs s GLN 2 Cb 0.00 -1.52 -0.11 0.00 -1.64 0.00 0.00 33.01 29.74 1mfs s GLN 2 CO 0.00 -3.94 1.23 0.87 0.50 0.00 0.00 175.29 173.95 1mfs h LYS 3 N -2.77 -0.68 -5.80 1.67 1.57 -2.10 -3.38 116.57 105.08 1mfs h LYS 3 Ca -0.61 0.05 -0.47 0.00 -1.87 0.00 0.00 60.65 57.74 1mfs h LYS 3 Cb 1.34 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1mfs h LYS 3 CO 0.49 -0.45 1.44 0.20 -0.57 0.00 0.00 179.45 180.56 1mfs s GLY 4 N -1.63 -0.10 -0.03 3.86 0.00 -1.26 -4.94 107.32 103.21 1mfs s GLY 4 Ca -0.10 -0.38 0.06 0.00 0.00 0.00 0.00 44.72 44.29 1mfs s GLY 4 CO 0.31 3.75 -0.19 0.21 0.00 0.00 0.00 173.10 177.18 1mfs s ASN 5 N 9.96 3.61 -0.35 1.64 3.84 -1.26 -5.02 114.94 127.36 1mfs s ASN 5 Ca 0.81 -0.32 0.14 0.00 0.21 0.00 0.00 52.86 53.69 1mfs s ASN 5 Cb -0.14 -0.62 0.43 0.00 -0.55 0.00 0.00 41.25 40.36 1mfs s ASN 5 CO 0.22 0.33 1.29 2.22 -2.79 0.00 0.00 177.10 178.38 1mfs n PHE 6 N 2.31 -1.13 -3.63 0.43 1.16 -1.26 -5.10 117.46 110.24 1mfs n PHE 6 Ca -0.17 -2.07 -0.04 0.00 -1.87 0.00 0.00 57.45 53.30 1mfs n PHE 6 Cb 0.52 0.95 -0.05 0.00 -1.61 0.00 0.00 39.48 39.28 1mfs n PHE 6 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1mfs s ARG 7 N -1.03 0.19 0.00 3.97 3.52 -1.24 -4.57 118.95 119.79 1mfs s ARG 7 Ca 0.20 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1mfs s ARG 7 Cb 0.41 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 1mfs s ARG 7 CO -0.07 -0.05 0.00 -1.71 -0.81 0.00 0.00 175.30 172.67 1mfs n ASN 8 N 1.04 0.00 0.00 -2.12 2.85 -1.25 -4.98 115.26 110.79 1mfs n ASN 8 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1mfs n ASN 8 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 1mfs n ASN 8 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1mfs n GLN 9 N 0.00 0.00 -2.98 1.20 -0.06 -1.26 -4.30 117.38 109.98 1mfs n GLN 9 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.04 1mfs n GLN 9 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1mfs n GLN 9 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1mfs s ARG 10 N 0.00 0.18 0.49 3.69 1.81 -1.26 -5.15 118.95 118.72 1mfs s ARG 10 Ca 0.00 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.05 1mfs s ARG 10 Cb 0.00 0.05 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 1mfs s ARG 10 CO 0.00 -0.30 0.00 0.36 -0.68 0.00 0.00 175.30 174.68 1mfs n LYS 11 N 4.43 0.00 0.00 3.54 2.85 -1.26 -4.85 118.16 122.88 1mfs n LYS 11 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1mfs n LYS 11 Cb 0.60 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 1mfs n LYS 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1mfs n THR 12 N -0.32 0.00 -4.06 0.58 -2.24 -1.26 -3.95 114.28 103.03 1mfs n THR 12 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1mfs n THR 12 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mfs s VAL 13 N 0.00 0.00 0.01 2.28 -7.23 -1.26 -3.70 120.40 110.50 1mfs s VAL 13 Ca 0.00 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1mfs s VAL 13 Cb 0.00 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1mfs s VAL 13 CO 0.00 0.00 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.17 1mfs s LYS 14 N -3.83 0.23 -0.41 4.82 0.00 -1.23 -1.17 119.74 118.15 1mfs s LYS 14 Ca 0.27 -0.21 -0.26 0.00 0.00 0.00 0.00 55.97 55.77 1mfs s LYS 14 Cb 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 37.83 37.71 1mfs s LYS 14 CO 0.12 0.04 0.95 0.00 0.00 0.00 0.00 175.35 176.45 1mfs n PHE 16 N 7.01 0.43 -0.10 0.00 -0.00 -1.26 0.22 117.46 123.76 1mfs n PHE 16 Ca 0.07 -0.18 -0.16 0.00 -0.00 0.00 0.00 57.45 57.19 1mfs n PHE 16 Cb 0.48 -0.09 -0.09 0.00 -0.00 0.00 0.00 39.48 39.78 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 0.16 2.22 -0.06 -2.13 5.15 -1.26 -4.75 115.26 114.59 1mfs n ASN 17 Ca 0.08 -0.02 -0.08 0.00 -0.60 0.00 0.00 54.58 53.95 1mfs n ASN 17 Cb 0.33 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.12 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 2.75 1.72 3.56 0.00 0.00 0.13 -5.08 105.19 108.27 1mfs n GLY 19 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.65 3.82 0.20 1.61 2.47 -1.19 -4.85 119.74 121.15 1mfs s LYS 20 Ca 0.00 -0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 53.69 1mfs s LYS 20 Cb 0.00 -3.13 -0.08 0.00 -1.46 0.00 0.00 37.83 33.16 1mfs s LYS 20 CO 0.00 0.19 1.06 -1.83 0.16 0.00 0.00 175.35 174.93 1mfs s GLU 21 N 0.57 4.65 0.00 4.03 -1.05 -1.26 -0.98 118.70 124.66 1mfs s GLU 21 Ca 0.01 1.67 0.00 0.00 -0.15 0.00 0.00 54.97 56.51 1mfs s GLU 21 Cb -0.13 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.29 1mfs s GLU 21 CO 0.02 0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.82 1mfs n GLY 22 N 1.82 3.98 3.46 -3.83 0.00 -0.32 -4.93 105.19 105.37 1mfs n GLY 22 Ca 0.01 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 2.05 0.40 1.61 -3.43 -1.25 -4.64 115.29 110.02 1mfs s HIS 23 Ca 0.00 -0.76 0.08 0.00 -0.80 0.00 0.00 55.06 53.57 1mfs s HIS 23 Cb 0.00 -1.26 -0.02 0.00 -1.43 0.00 0.00 32.58 29.87 1mfs s HIS 23 CO 0.00 0.23 0.40 0.96 -2.00 0.00 0.00 174.74 174.33 1mfs s ILE 24 N -3.04 2.98 0.27 -5.38 -4.36 -1.26 0.18 121.20 110.58 1mfs s ILE 24 Ca 0.32 -1.27 -0.05 0.00 -0.26 0.00 0.00 60.65 59.40 1mfs s ILE 24 Cb 0.06 -3.06 0.25 0.00 1.25 0.00 0.00 42.46 40.96 1mfs s ILE 24 CO 0.14 -0.05 1.93 0.00 0.24 0.00 0.00 174.94 177.20 1mfs h ALA 25 N 1.00 1.31 0.00 2.27 0.00 -1.87 0.23 119.26 122.20 1mfs h ALA 25 Ca -0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1mfs h ALA 25 Cb 1.27 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1mfs h ALA 25 CO 0.55 0.62 0.00 -0.22 0.00 0.00 0.00 179.25 180.20 1mfs h LYS 26 N 1.25 0.00 -0.27 0.00 3.64 -1.95 -0.37 116.57 118.85 1mfs h LYS 26 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1mfs h LYS 26 Cb -0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1mfs h LYS 26 CO -0.07 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 175.40 1mfs n ASN 27 N -2.86 3.76 -4.61 4.20 5.15 0.60 -4.95 115.26 116.55 1mfs n ASN 27 Ca -0.00 -2.88 -0.43 0.00 -0.60 0.00 0.00 54.58 50.67 1mfs n ASN 27 Cb 0.21 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 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 7.61 0.99 -1.46 0.00 1.85 -1.26 -4.88 116.66 119.51 1mfs n ARG 29 Ca 0.12 -0.38 -0.40 0.00 -1.00 0.00 0.00 57.85 56.20 1mfs n ARG 29 Cb 0.48 -1.49 -0.15 0.00 -1.05 0.00 0.00 32.46 30.26 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 -0.68 0.28 -1.48 2.89 0.00 -1.26 -4.70 120.51 115.57 1mfs n ALA 30 Ca 0.17 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1mfs n ALA 30 Cb 0.27 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 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 8.28 2.16 0.00 0.00 -0.04 -1.26 -3.83 135.00 140.31 1mfs n PRO 31 Ca 0.64 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1mfs n PRO 31 Cb 0.03 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 1mfs n PRO 31 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1mfs n ARG 32 N 6.68 0.00 -3.72 0.54 1.85 -1.26 -5.14 116.66 115.60 1mfs n ARG 32 Ca 0.51 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 57.32 1mfs n ARG 32 Cb 0.40 -0.38 -0.01 0.00 -1.05 0.00 0.00 32.46 31.42 1mfs n ARG 32 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1mfs s LYS 33 N -1.73 1.07 0.00 2.89 0.00 -1.25 -5.10 119.74 115.62 1mfs s LYS 33 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 55.97 55.39 1mfs s LYS 33 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.20 1mfs s LYS 33 CO 0.00 -0.49 0.00 1.17 0.00 0.00 0.00 175.35 176.03 1mfs n LYS 34 N -0.46 0.00 -3.32 1.78 0.00 -1.26 -4.95 118.16 109.96 1mfs n LYS 34 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.14 1mfs n LYS 34 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.62 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mfs n GLY 35 N -1.27 2.41 3.58 3.14 0.00 -1.26 -4.08 105.19 107.71 1mfs n GLY 35 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 6.17 0.81 -0.10 0.00 5.03 -1.26 -0.01 117.44 128.07 1mfs n TRP 37 Ca 0.00 -0.33 -0.18 0.00 3.03 0.00 0.00 57.50 60.03 1mfs n TRP 37 Cb 0.48 -0.14 -0.09 0.00 -1.03 0.00 0.00 31.31 30.54 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1mfs n LYS 38 N 0.56 0.48 -0.02 -0.99 4.81 -1.26 -4.66 118.16 117.08 1mfs n LYS 38 Ca 0.14 0.15 0.04 0.00 -0.87 0.00 0.00 58.31 57.78 1mfs n LYS 38 Cb 0.53 -1.34 -0.10 0.00 0.02 0.00 0.00 35.03 34.14 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 1.87 0.75 3.55 0.00 0.00 0.98 -5.00 105.19 107.34 1mfs n GLY 40 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.57 3.03 -1.05 1.61 -0.14 -1.15 -4.76 119.74 116.71 1mfs s LYS 41 Ca 0.00 -0.03 -0.23 0.00 -1.36 0.00 0.00 55.97 54.35 1mfs s LYS 41 Cb 0.00 -4.31 0.01 0.00 -1.68 0.00 0.00 37.83 31.85 1mfs s LYS 41 CO 0.00 -2.35 1.69 -1.83 -0.76 0.00 0.00 175.35 172.10 1mfs s GLU 42 N 6.12 3.26 0.00 1.68 -1.05 -1.26 -1.33 118.70 126.11 1mfs s GLU 42 Ca 0.46 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1mfs s GLU 42 Cb -0.09 -5.30 0.00 0.00 -0.44 0.00 0.00 34.13 28.30 1mfs s GLU 42 CO 0.15 -2.73 0.00 0.41 0.95 0.00 0.00 175.26 174.05 1mfs n GLY 43 N 6.52 0.64 3.63 -3.83 0.00 -1.26 -4.94 105.19 105.95 1mfs n GLY 43 Ca 0.39 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 2.63 0.28 1.61 -3.43 -1.17 -4.98 115.29 110.24 1mfs s HIS 44 Ca 0.00 -0.28 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1mfs s HIS 44 Cb 0.00 -1.25 0.00 0.00 -1.43 0.00 0.00 32.58 29.90 1mfs s HIS 44 CO 0.00 0.59 0.02 1.04 -2.00 0.00 0.00 174.74 174.39 1mfs n GLN 45 N -0.90 1.31 -0.35 -0.38 6.02 -1.26 -2.00 117.38 119.82 1mfs n GLN 45 Ca -0.06 -2.00 0.05 0.00 -0.01 0.00 0.00 57.00 54.99 1mfs n GLN 45 Cb 0.60 0.51 0.22 0.00 1.02 0.00 0.00 30.24 32.58 1mfs n GLN 45 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1mfs h MET 46 N 0.00 1.04 0.00 -1.09 2.86 -1.92 1.54 114.93 117.36 1mfs h MET 46 Ca -0.23 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 1mfs h MET 46 Cb 0.69 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1mfs h MET 46 CO 0.37 0.69 -0.17 -0.22 1.06 0.00 0.00 176.91 178.64 1mfs h LYS 47 N 1.07 0.00 -0.25 1.72 3.64 -1.96 -1.13 116.57 119.67 1mfs h LYS 47 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1mfs h LYS 47 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1mfs h LYS 47 CO -0.20 0.17 0.00 -0.25 -2.27 0.00 0.00 179.45 176.89 1mfs n ASP 48 N -4.01 3.45 -4.52 4.20 9.92 0.77 -4.93 116.55 121.42 1mfs n ASP 48 Ca -0.02 -2.75 -0.43 0.00 -0.53 0.00 0.00 54.79 51.06 1mfs n ASP 48 Cb 0.25 -0.44 -0.06 0.00 -0.64 0.00 0.00 41.12 40.23 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 5.98 0.59 -1.78 0.00 -1.04 -1.26 -1.99 114.28 114.77 1mfs n THR 50 Ca -0.00 0.15 -0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1mfs n THR 50 Cb 0.48 -0.89 0.15 0.00 -1.82 0.00 0.00 70.33 68.25 1mfs n THR 50 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1mfs n GLU 51 N -1.30 1.89 -3.65 -2.82 0.28 -1.26 -4.99 120.64 108.79 1mfs n GLU 51 Ca 0.07 -3.39 -0.01 0.00 -0.16 0.00 0.00 57.16 53.67 1mfs n GLU 51 Cb 0.13 -1.63 -0.06 0.00 1.43 0.00 0.00 31.44 31.30 1mfs n GLU 51 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1mfs s ARG 52 N -3.08 0.24 -0.36 3.44 3.52 -0.84 -5.03 118.95 116.85 1mfs s ARG 52 Ca 0.40 0.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.44 1mfs s ARG 52 Cb 0.38 0.05 0.31 0.00 -1.56 0.00 0.00 34.95 34.13 1mfs s ARG 52 CO -0.05 -0.05 1.29 0.00 -0.81 0.00 0.00 175.30 175.68 1mfs n GLN 53 N 3.36 0.33 -3.77 5.12 10.64 -1.26 -4.36 117.38 127.43 1mfs n GLN 53 Ca -0.18 -0.97 0.02 0.00 -1.83 0.00 0.00 57.00 54.04 1mfs n GLN 53 Cb 0.57 -0.39 0.00 0.00 -0.86 0.00 0.00 30.24 29.56 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mfs s ALA 54 N 0.13 -2.30 0.00 2.61 0.00 -1.26 -5.19 121.76 115.75 1mfs s ALA 54 Ca 0.22 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1mfs s ALA 54 Cb 0.27 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1mfs s ALA 54 CO -0.15 -1.09 0.00 0.09 0.00 0.00 0.00 175.76 174.60