#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yit s GLU 5 N 0.00 1.09 -0.23 5.56 2.12 -1.26 -2.37 118.70 123.61 1yit s GLU 5 Ca 0.00 -0.27 -0.33 0.00 0.36 0.00 0.00 54.97 54.73 1yit s GLU 5 Cb 0.00 -0.99 -0.10 0.00 0.26 0.00 0.00 34.13 33.30 1yit s GLU 5 CO 0.00 0.04 2.08 0.00 -0.54 0.00 0.00 175.26 176.84 1yit n ASP 7 N 9.06 0.00 0.00 0.00 8.00 -0.01 -1.34 116.55 132.26 1yit n ASP 7 Ca 0.32 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1yit n ASP 7 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1yit n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yit n TYR 8 N -0.85 0.00 0.16 1.24 9.36 -1.26 -4.82 117.16 120.99 1yit n TYR 8 Ca 0.01 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.26 1yit n TYR 8 Cb 0.01 0.00 0.21 0.00 -0.63 0.00 0.00 39.34 38.92 1yit n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1yit n GLY 10 N 0.50 0.70 3.76 0.00 0.00 -0.45 -0.59 105.19 109.11 1yit n GLY 10 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1yit n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yit s THR 11 N -2.33 1.88 0.10 2.61 -4.23 -1.26 -4.57 115.64 107.84 1yit s THR 11 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.22 1yit s THR 11 Cb 0.00 -2.73 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 1yit s THR 11 CO 0.00 0.00 0.90 -1.81 -0.54 0.00 0.00 174.62 173.17 1yit s ASP 12 N -4.19 7.42 -0.54 3.99 1.01 -1.26 -1.30 116.67 121.80 1yit s ASP 12 Ca 0.69 1.70 -0.24 0.00 0.71 0.00 0.00 52.55 55.41 1yit s ASP 12 Cb -0.11 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.31 1yit s ASP 12 CO 0.54 -0.03 0.90 -0.63 0.21 0.00 0.00 175.17 176.16 1yit s ILE 13 N -0.06 4.45 -0.34 0.77 1.01 -1.00 -4.85 121.20 121.18 1yit s ILE 13 Ca 0.44 0.20 -0.40 0.00 0.00 0.00 0.00 60.65 60.89 1yit s ILE 13 Cb -0.23 -4.51 -0.15 0.00 0.01 0.00 0.00 42.46 37.59 1yit s ILE 13 CO 0.28 -1.07 1.92 1.21 0.00 0.00 0.00 174.94 177.28 1yit n GLU 14 N 7.30 0.93 -1.62 2.79 4.07 -1.26 -4.55 120.64 128.29 1yit n GLU 14 Ca 0.01 0.31 -0.45 0.00 -0.06 0.00 0.00 57.16 56.97 1yit n GLU 14 Cb 0.47 -2.10 -0.02 0.00 -0.06 0.00 0.00 31.44 29.74 1yit n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1yit n PRO 15 N 6.41 1.58 -1.04 5.31 -0.04 -1.26 -2.21 135.00 143.75 1yit n PRO 15 Ca 0.35 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1yit n PRO 15 Cb 0.13 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1yit n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yit n GLY 16 N 1.33 0.75 3.36 0.55 0.00 -1.26 -5.05 105.19 104.87 1yit n GLY 16 Ca 0.09 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1yit n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yit s THR 17 N -2.00 0.06 0.00 2.61 2.01 -0.94 -5.16 115.64 112.22 1yit s THR 17 Ca 0.00 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1yit s THR 17 Cb 0.00 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.64 1yit s THR 17 CO 0.00 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 1yit n GLY 18 N -0.23 -0.38 3.21 4.40 0.00 -1.26 -4.89 105.19 106.04 1yit n GLY 18 Ca -0.07 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 1yit n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yit s THR 19 N -2.20 1.27 -0.19 2.61 2.01 -1.03 -5.00 115.64 113.09 1yit s THR 19 Ca 0.00 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.54 1yit s THR 19 Cb 0.00 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 71.25 1yit s THR 19 CO 0.00 -0.26 -0.17 -0.32 -0.69 0.00 0.00 174.62 173.18 1yit s MET 20 N -2.05 2.98 -0.26 4.92 1.75 -1.26 -0.38 119.30 124.99 1yit s MET 20 Ca 0.03 -0.85 -0.13 0.00 -1.25 0.00 0.00 55.69 53.49 1yit s MET 20 Cb -0.08 -2.66 -0.04 0.00 2.84 0.00 0.00 34.83 34.88 1yit s MET 20 CO 0.03 -0.24 0.28 0.12 -0.65 0.00 0.00 175.02 174.56 1yit s PHE 21 N 1.30 3.27 -0.35 4.11 5.36 0.61 -4.91 117.98 127.37 1yit s PHE 21 Ca 0.04 0.32 -0.18 0.00 -0.96 0.00 0.00 56.93 56.15 1yit s PHE 21 Cb -0.14 -2.45 -0.00 0.00 -0.34 0.00 0.00 43.02 40.08 1yit s PHE 21 CO -0.11 -0.13 0.52 0.08 -1.46 0.00 0.00 175.22 174.13 1yit s VAL 22 N 1.69 5.01 1.00 3.12 1.01 -1.26 -1.02 120.40 129.94 1yit s VAL 22 Ca 0.12 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1yit s VAL 22 Cb -0.15 -3.97 0.19 0.00 0.00 0.00 0.00 36.38 32.44 1yit s VAL 22 CO 0.09 -0.22 1.09 -1.00 0.00 0.00 0.00 175.10 175.06 1yit s HIS 23 N 2.41 2.12 0.10 5.22 0.09 0.17 -4.91 115.29 120.49 1yit s HIS 23 Ca 0.19 0.99 -0.25 0.00 -0.00 0.00 0.00 55.06 55.99 1yit s HIS 23 Cb -0.15 -3.26 -0.11 0.00 -0.00 0.00 0.00 32.58 29.05 1yit s HIS 23 CO 0.13 -2.87 1.68 -0.22 -0.00 0.00 0.00 174.74 173.46 1yit h LYS 24 N -1.88 -0.29 0.00 1.40 3.64 -1.97 -2.05 116.57 115.41 1yit h LYS 24 Ca -0.54 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1yit h LYS 24 Cb 1.33 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1yit h LYS 24 CO 0.58 -0.19 0.00 0.38 -2.27 0.00 0.00 179.45 177.94 1yit h ASP 25 N -0.30 0.00 0.00 4.20 -0.00 -2.04 -3.45 116.42 114.83 1yit h ASP 25 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1yit h ASP 25 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.63 1yit h ASP 25 CO -0.06 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.79 1yit n GLY 26 N -0.96 1.28 3.55 7.15 0.00 -0.77 -5.09 105.19 110.34 1yit n GLY 26 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1yit n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yit n ALA 27 N -0.42 -1.04 -3.77 4.61 0.00 -1.26 -4.64 120.51 113.98 1yit n ALA 27 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 1yit n ALA 27 Cb 0.00 -2.01 -0.17 0.00 0.00 0.00 0.00 19.45 17.27 1yit n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yit s THR 28 N -2.05 0.80 -0.25 0.00 2.01 -1.26 -0.65 115.64 114.24 1yit s THR 28 Ca 0.68 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1yit s THR 28 Cb -0.31 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1yit s THR 28 CO 0.56 0.32 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.85 1yit s THR 29 N 1.52 2.75 -0.16 -0.82 2.01 -0.19 -4.96 115.64 115.78 1yit s THR 29 Ca -0.00 -1.13 -0.22 0.00 0.31 0.00 0.00 61.69 60.65 1yit s THR 29 Cb -0.13 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1yit s THR 29 CO -0.05 0.16 0.67 -1.00 -0.69 0.00 0.00 174.62 173.71 1yit s HIS 30 N 1.29 3.43 0.02 4.92 3.76 -1.26 -0.28 115.29 127.17 1yit s HIS 30 Ca -0.01 1.04 0.03 0.00 -0.15 0.00 0.00 55.06 55.98 1yit s HIS 30 Cb -0.17 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1yit s HIS 30 CO -0.05 -0.11 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.62 1yit s PHE 31 N 1.66 2.93 -0.13 1.40 0.40 0.48 -0.83 117.98 123.89 1yit s PHE 31 Ca 0.32 -0.02 0.17 0.00 -0.60 0.00 0.00 56.93 56.80 1yit s PHE 31 Cb -0.16 -1.59 -0.12 0.00 0.51 0.00 0.00 43.02 41.65 1yit s PHE 31 CO 0.12 0.41 0.85 0.00 0.70 0.00 0.00 175.22 177.30 1yit s SER 33 N -5.77 0.10 0.21 0.00 1.04 -1.26 -4.33 113.70 103.70 1yit s SER 33 Ca -0.03 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.39 1yit s SER 33 Cb 0.09 0.66 0.16 0.00 0.10 0.00 0.00 66.02 67.03 1yit s SER 33 CO 0.81 -1.28 1.51 0.77 0.98 0.00 0.00 173.24 176.03 1yit h SER 34 N 2.16 0.37 -0.51 7.02 4.64 -1.99 -3.03 113.55 122.22 1yit h SER 34 Ca -0.26 -0.23 0.10 0.00 -0.47 0.00 0.00 61.79 60.93 1yit h SER 34 Cb 1.25 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 1yit h SER 34 CO 0.35 0.92 -0.07 0.50 -0.87 0.00 0.00 176.83 177.66 1yit h LYS 35 N 0.23 0.04 -0.03 4.77 3.64 -1.99 0.35 116.57 123.59 1yit h LYS 35 Ca -0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1yit h LYS 35 Cb 1.18 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1yit h LYS 35 CO 0.11 0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 1yit h GLU 37 N -0.24 0.19 -0.26 0.00 5.08 -1.18 0.26 114.58 118.43 1yit h GLU 37 Ca 0.01 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1yit h GLU 37 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1yit h GLU 37 CO 0.00 0.12 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.19 1yit h ASN 38 N 0.19 0.47 -0.97 1.42 2.35 -0.22 0.76 115.58 119.59 1yit h ASN 38 Ca 0.33 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1yit h ASN 38 Cb 0.52 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 1yit h ASN 38 CO -0.47 0.70 0.61 0.78 -1.65 0.00 0.00 177.43 177.41 1yit h ASN 39 N 0.23 1.15 -0.05 5.81 4.21 -0.33 -0.03 115.58 126.57 1yit h ASN 39 Ca 0.07 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 1yit h ASN 39 Cb 0.48 -0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 1yit h ASN 39 CO 0.02 0.86 0.03 0.00 -1.29 0.00 0.00 177.43 177.05 1yit h ALA 40 N 1.34 0.06 -0.37 -0.83 0.00 -0.28 -1.78 119.26 117.41 1yit h ALA 40 Ca 0.35 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1yit h ALA 40 Cb -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1yit h ALA 40 CO -0.07 -0.43 0.25 -0.44 0.00 0.00 0.00 179.25 178.57 1yit h ASP 41 N 0.04 0.17 0.22 0.00 3.32 -0.12 0.42 116.42 120.48 1yit h ASP 41 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1yit h ASP 41 Cb 0.03 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1yit h ASP 41 CO -0.00 0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.81 1yit n LEU 42 N -4.47 0.00 0.00 1.55 4.77 -0.09 -4.80 117.00 113.95 1yit n LEU 42 Ca 0.05 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1yit n LEU 42 Cb 0.30 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1yit n LEU 42 CO 0.35 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1yit n GLY 43 N -0.44 0.68 3.87 -0.72 0.00 0.15 -5.04 105.19 103.69 1yit n GLY 43 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1yit n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yit s ARG 44 N -0.25 3.79 -0.07 1.61 0.52 -1.07 -5.04 118.95 118.44 1yit s ARG 44 Ca 0.00 0.59 0.03 0.00 -0.52 0.00 0.00 55.73 55.82 1yit s ARG 44 Cb 0.00 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 1yit s ARG 44 CO 0.00 -0.14 -0.14 -1.21 0.02 0.00 0.00 175.30 173.83 1yit s GLU 45 N -4.05 2.74 0.51 3.54 2.02 -1.26 -4.38 118.70 117.81 1yit s GLU 45 Ca 0.53 -0.70 0.37 0.00 0.02 0.00 0.00 54.97 55.19 1yit s GLU 45 Cb -0.10 -2.44 1.53 0.00 0.10 0.00 0.00 34.13 33.21 1yit s GLU 45 CO 0.34 0.51 1.69 0.00 0.02 0.00 0.00 175.26 177.82 1yit h ALA 46 N 5.72 3.15 -0.46 5.21 0.00 -1.95 -1.27 119.26 129.66 1yit h ALA 46 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1yit h ALA 46 Cb 1.17 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1yit h ALA 46 CO 0.52 -1.63 0.23 0.00 0.00 0.00 0.00 179.25 178.37 1yit h ARG 47 N 0.07 0.65 0.00 0.00 3.08 -1.91 -2.94 114.38 113.33 1yit h ARG 47 Ca 0.74 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1yit h ARG 47 Cb 2.70 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.62 1yit h ARG 47 CO -0.14 0.54 0.00 0.09 -1.07 0.00 0.00 179.97 179.39 1yit n ASN 48 N -4.66 0.00 -4.38 7.04 3.02 -0.48 -4.46 115.26 111.34 1yit n ASN 48 Ca 0.01 0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 54.30 1yit n ASN 48 Cb 0.10 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 1yit n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1yit s LEU 49 N -2.70 4.95 0.58 3.41 1.43 -1.11 -4.98 118.68 120.27 1yit s LEU 49 Ca 0.16 -1.08 0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1yit s LEU 49 Cb 0.13 -2.06 1.45 0.00 0.03 0.00 0.00 46.19 45.73 1yit s LEU 49 CO 0.31 -0.45 1.86 -0.33 0.23 0.00 0.00 176.35 177.97 1yit h GLU 50 N 8.51 0.00 0.00 1.70 5.08 -1.85 -0.97 114.58 127.05 1yit h GLU 50 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1yit h GLU 50 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1yit h GLU 50 CO 0.71 0.00 0.00 -2.67 -1.00 0.00 0.00 179.01 176.05 1yit n TRP 51 N -3.83 0.38 -2.71 4.33 4.27 -1.26 -4.57 117.44 114.05 1yit n TRP 51 Ca 0.12 0.11 -0.41 0.00 -3.89 0.00 0.00 57.50 53.44 1yit n TRP 51 Cb 0.80 -0.68 -0.05 0.00 -1.36 0.00 0.00 31.31 30.02 1yit n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1yit s THR 52 N -3.05 4.28 0.25 -1.67 2.01 -0.37 -4.94 115.64 112.15 1yit s THR 52 Ca 0.12 2.02 -0.06 0.00 0.31 0.00 0.00 61.69 64.09 1yit s THR 52 Cb 0.16 -4.29 0.24 0.00 0.01 0.00 0.00 72.50 68.62 1yit s THR 52 CO 0.55 0.37 1.90 0.44 -0.69 0.00 0.00 174.62 177.19 1yit h ASP 53 N 5.04 1.04 -0.40 3.53 5.19 -1.80 0.36 116.42 129.38 1yit h ASP 53 Ca -0.44 -0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1yit h ASP 53 Cb 1.21 -0.24 -0.09 0.00 0.18 0.00 0.00 39.33 40.39 1yit h ASP 53 CO 0.71 0.72 -0.44 0.74 -3.12 0.00 0.00 179.24 177.84 1yit h THR 54 N 1.21 0.10 -0.18 0.35 2.02 -1.15 -1.38 112.91 113.88 1yit h THR 54 Ca 0.37 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.55 1yit h THR 54 Cb -0.02 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1yit h THR 54 CO -0.11 0.00 0.11 0.00 0.37 0.00 0.00 175.52 175.89 1yit h ALA 55 N 0.37 0.23 0.00 6.16 0.00 -1.32 -3.47 119.26 121.22 1yit h ALA 55 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yit h ALA 55 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yit h ALA 55 CO -0.57 -0.26 0.00 0.54 0.00 0.00 0.00 179.25 178.96