#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s GLU 5 N 0.00 1.69 0.12 -0.14 2.12 -1.26 -3.35 118.70 117.88 3g4s s GLU 5 Ca 0.00 -1.18 -0.31 0.00 0.36 0.00 0.00 54.97 53.84 3g4s s GLU 5 Cb 0.00 -1.96 -0.08 0.00 0.26 0.00 0.00 34.13 32.35 3g4s s GLU 5 CO 0.00 0.49 1.47 0.00 -0.54 0.00 0.00 175.26 176.68 3g4s n ASP 7 N 4.20 0.14 0.06 0.00 9.92 -1.13 -2.59 116.55 127.16 3g4s n ASP 7 Ca 0.13 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.93 3g4s n ASP 7 Cb 0.41 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 3g4s n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g4s n TYR 8 N -0.38 -0.84 0.02 1.24 9.36 -1.26 -4.85 117.16 120.46 3g4s n TYR 8 Ca 0.00 0.15 -0.05 0.00 3.32 0.00 0.00 57.90 61.32 3g4s n TYR 8 Cb 0.04 0.34 -0.11 0.00 -0.63 0.00 0.00 39.34 38.98 3g4s n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3g4s n GLY 10 N 1.45 0.66 3.77 0.00 0.00 -1.07 -2.01 105.19 107.99 3g4s n GLY 10 Ca -0.10 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 3g4s n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g4s s THR 11 N -2.00 4.09 -0.69 2.61 -4.23 -1.26 -4.69 115.64 109.47 3g4s s THR 11 Ca 0.00 1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 62.14 3g4s s THR 11 Cb 0.00 -4.13 -0.00 0.00 1.34 0.00 0.00 72.50 69.71 3g4s s THR 11 CO 0.00 0.30 1.64 -1.81 -0.54 0.00 0.00 174.62 174.21 3g4s s ASP 12 N -1.39 5.62 0.19 3.99 1.01 -1.26 -2.22 116.67 122.61 3g4s s ASP 12 Ca 0.46 -0.06 -0.30 0.00 0.71 0.00 0.00 52.55 53.36 3g4s s ASP 12 Cb -0.23 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 3g4s s ASP 12 CO 0.28 -2.17 1.38 -0.63 0.21 0.00 0.00 175.17 174.24 3g4s s ILE 13 N 7.79 3.04 0.05 0.77 1.01 -1.21 -5.00 121.20 127.65 3g4s s ILE 13 Ca 0.55 0.82 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 3g4s s ILE 13 Cb -0.10 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3g4s s ILE 13 CO 0.17 0.11 1.11 -0.70 0.00 0.00 0.00 174.94 175.62 3g4s s GLU 14 N 0.21 4.49 0.17 2.79 2.56 -1.26 -4.55 118.70 123.12 3g4s s GLU 14 Ca 0.60 1.64 -0.31 0.00 0.00 0.00 0.00 54.97 56.90 3g4s s GLU 14 Cb -0.39 -3.38 -0.09 0.00 2.00 0.00 0.00 34.13 32.27 3g4s s GLU 14 CO 0.37 -0.15 1.46 -1.25 -0.56 0.00 0.00 175.26 175.13 3g4s s PRO 15 N 0.91 4.27 0.00 4.30 0.04 -1.26 -2.81 135.00 140.46 3g4s s PRO 15 Ca 0.55 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3g4s s PRO 15 Cb -0.26 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3g4s s PRO 15 CO 0.29 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.26 3g4s n GLY 16 N 3.16 0.80 2.86 0.56 0.00 -1.26 -5.05 105.19 106.26 3g4s n GLY 16 Ca 0.11 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 3g4s n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s THR 17 N -2.00 -0.44 0.00 2.61 2.01 -1.12 -5.15 115.64 111.54 3g4s s THR 17 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3g4s s THR 17 Cb 0.00 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3g4s s THR 17 CO 0.00 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 3g4s n GLY 18 N 5.34 2.97 3.14 4.40 0.00 -1.26 -4.56 105.19 115.22 3g4s n GLY 18 Ca -0.05 -1.38 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 3g4s n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s THR 19 N -2.00 1.39 -0.39 2.61 2.01 -1.22 -5.04 115.64 113.00 3g4s s THR 19 Ca 0.00 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 3g4s s THR 19 Cb 0.00 -1.18 0.09 0.00 0.01 0.00 0.00 72.50 71.42 3g4s s THR 19 CO 0.00 0.40 0.17 -0.32 -0.69 0.00 0.00 174.62 174.18 3g4s s MET 20 N -0.11 2.18 -0.23 4.92 1.75 -1.26 -1.92 119.30 124.62 3g4s s MET 20 Ca -0.00 -1.65 -0.19 0.00 -1.25 0.00 0.00 55.69 52.59 3g4s s MET 20 Cb -0.10 -3.53 -0.03 0.00 2.84 0.00 0.00 34.83 34.02 3g4s s MET 20 CO 0.01 -0.96 0.57 0.12 -0.65 0.00 0.00 175.02 174.11 3g4s s PHE 21 N 1.21 3.32 0.06 4.11 5.36 0.58 -4.95 117.98 127.68 3g4s s PHE 21 Ca 0.05 0.79 -0.14 0.00 -0.96 0.00 0.00 56.93 56.66 3g4s s PHE 21 Cb -0.22 -2.76 -0.06 0.00 -0.34 0.00 0.00 43.02 39.64 3g4s s PHE 21 CO -0.03 -0.22 0.47 0.08 -1.46 0.00 0.00 175.22 174.06 3g4s s VAL 22 N 2.09 4.95 0.38 3.12 1.01 -1.26 -1.55 120.40 129.13 3g4s s VAL 22 Ca 0.25 0.83 0.06 0.00 0.00 0.00 0.00 61.98 63.12 3g4s s VAL 22 Cb -0.16 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 3g4s s VAL 22 CO 0.09 0.44 0.53 -1.00 0.00 0.00 0.00 175.10 175.16 3g4s s HIS 23 N -1.23 3.04 0.19 5.22 0.09 -0.17 -4.98 115.29 117.45 3g4s s HIS 23 Ca 0.30 -0.21 -0.15 0.00 -0.00 0.00 0.00 55.06 55.00 3g4s s HIS 23 Cb -0.16 -2.15 0.18 0.00 -0.00 0.00 0.00 32.58 30.45 3g4s s HIS 23 CO 0.17 -0.18 1.65 -0.22 -0.00 0.00 0.00 174.74 176.15 3g4s h LYS 24 N 0.75 0.01 -0.43 1.40 1.63 -1.99 -1.71 116.57 116.23 3g4s h LYS 24 Ca -0.44 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.21 3g4s h LYS 24 Cb 1.26 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 3g4s h LYS 24 CO 0.51 0.01 -0.31 0.38 -3.45 0.00 0.00 179.45 176.59 3g4s h ASP 25 N 0.01 1.02 0.00 4.20 2.03 -2.05 -3.47 116.42 118.16 3g4s h ASP 25 Ca 0.26 -0.44 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 3g4s h ASP 25 Cb 0.40 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3g4s h ASP 25 CO -0.55 1.24 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 3g4s n GLY 26 N 0.03 -0.59 3.72 7.15 0.00 -0.64 -5.15 105.19 109.72 3g4s n GLY 26 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3g4s n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 27 N -0.40 2.03 -0.12 4.61 0.00 -1.26 -4.64 121.76 121.97 3g4s s ALA 27 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3g4s s ALA 27 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.72 3g4s s ALA 27 CO 0.00 -2.00 -0.15 0.99 0.00 0.00 0.00 175.76 174.61 3g4s s THR 28 N -2.34 1.52 -0.11 0.00 2.01 -1.26 -1.00 115.64 114.46 3g4s s THR 28 Ca 0.69 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 62.09 3g4s s THR 28 Cb -0.24 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 70.86 3g4s s THR 28 CO 0.49 0.45 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.78 3g4s s THR 29 N 1.20 1.85 -0.01 -0.82 2.01 -0.60 -5.01 115.64 114.26 3g4s s THR 29 Ca -0.02 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3g4s s THR 29 Cb -0.14 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3g4s s THR 29 CO -0.05 0.51 0.01 -1.00 -0.69 0.00 0.00 174.62 173.40 3g4s s HIS 30 N 0.58 3.12 -0.02 4.92 3.76 -1.26 -0.30 115.29 126.09 3g4s s HIS 30 Ca -0.14 0.11 0.05 0.00 -0.15 0.00 0.00 55.06 54.94 3g4s s HIS 30 Cb -0.17 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 3g4s s HIS 30 CO 0.04 0.47 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.17 3g4s s PHE 31 N -1.07 1.59 0.16 1.40 0.40 -0.81 -2.82 117.98 116.83 3g4s s PHE 31 Ca 0.19 -0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 3g4s s PHE 31 Cb -0.12 -1.04 0.01 0.00 0.51 0.00 0.00 43.02 42.39 3g4s s PHE 31 CO 0.10 -0.06 1.41 0.00 0.70 0.00 0.00 175.22 177.37 3g4s s SER 33 N -7.00 1.10 0.32 0.00 1.04 -1.26 -4.64 113.70 103.26 3g4s s SER 33 Ca -0.07 -1.55 0.08 0.00 0.48 0.00 0.00 55.95 54.89 3g4s s SER 33 Cb 0.10 0.64 0.55 0.00 0.10 0.00 0.00 66.02 67.41 3g4s s SER 33 CO 0.86 -1.25 1.75 0.77 0.98 0.00 0.00 173.24 176.35 3g4s h SER 34 N 2.12 0.18 -0.66 7.02 4.64 -2.01 -3.23 113.55 121.60 3g4s h SER 34 Ca -0.28 -0.07 0.12 0.00 -0.47 0.00 0.00 61.79 61.10 3g4s h SER 34 Cb 1.24 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 3g4s h SER 34 CO 0.38 0.55 0.21 0.50 -0.87 0.00 0.00 176.83 177.60 3g4s h LYS 35 N 0.15 0.34 -0.03 4.77 3.64 -2.00 -2.32 116.57 121.13 3g4s h LYS 35 Ca 0.02 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 3g4s h LYS 35 Cb 0.74 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3g4s h LYS 35 CO 0.06 0.23 -0.77 0.00 -2.27 0.00 0.00 179.45 176.69 3g4s h GLU 37 N 0.13 1.08 -0.08 0.00 5.08 -1.49 -2.62 114.58 116.68 3g4s h GLU 37 Ca -0.03 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 3g4s h GLU 37 Cb 1.35 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3g4s h GLU 37 CO 0.12 0.79 -0.66 -0.91 -1.00 0.00 0.00 179.01 177.34 3g4s h ASN 38 N 1.07 0.37 0.08 1.42 2.35 -1.52 -3.15 115.58 116.21 3g4s h ASN 38 Ca 0.28 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3g4s h ASN 38 Cb 0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3g4s h ASN 38 CO -0.05 0.93 -0.23 0.78 -1.65 0.00 0.00 177.43 177.21 3g4s h ASN 39 N 0.23 0.27 -0.15 5.81 4.21 -1.25 -2.61 115.58 122.09 3g4s h ASN 39 Ca -0.02 -0.08 -0.16 0.00 1.21 0.00 0.00 56.30 57.26 3g4s h ASN 39 Cb 1.20 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 38.33 3g4s h ASN 39 CO 0.11 0.51 -0.52 0.00 -1.29 0.00 0.00 177.43 176.24 3g4s h ALA 40 N 1.52 0.26 0.00 -0.83 0.00 -1.51 -2.85 119.26 115.85 3g4s h ALA 40 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3g4s h ALA 40 Cb 0.55 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3g4s h ALA 40 CO 0.04 0.45 -0.09 -0.44 0.00 0.00 0.00 179.25 179.21 3g4s h ASP 41 N 0.26 0.00 0.77 0.00 3.32 -1.48 -2.23 116.42 117.06 3g4s h ASP 41 Ca -0.02 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 3g4s h ASP 41 Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 3g4s h ASP 41 CO 0.11 0.09 -0.67 -0.07 -1.72 0.00 0.00 179.24 176.99 3g4s h LEU 42 N 0.00 0.00 0.00 1.55 3.38 -1.42 -3.47 115.31 115.35 3g4s h LEU 42 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4s h LEU 42 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3g4s h LEU 42 CO 0.01 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.82 3g4s n GLY 43 N 0.54 0.92 3.77 0.83 0.00 -0.84 -5.10 105.19 105.32 3g4s n GLY 43 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3g4s n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4s s ARG 44 N -0.65 4.50 -0.13 1.61 0.52 -1.08 -5.05 118.95 118.67 3g4s s ARG 44 Ca 0.00 1.50 -0.06 0.00 -0.52 0.00 0.00 55.73 56.65 3g4s s ARG 44 Cb 0.00 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 3g4s s ARG 44 CO 0.00 0.17 0.08 -1.21 0.02 0.00 0.00 175.30 174.35 3g4s s GLU 45 N -1.96 3.50 0.38 3.54 2.02 -1.26 -4.52 118.70 120.41 3g4s s GLU 45 Ca 0.50 -0.28 0.08 0.00 0.02 0.00 0.00 54.97 55.30 3g4s s GLU 45 Cb -0.23 -3.09 0.84 0.00 0.10 0.00 0.00 34.13 31.74 3g4s s GLU 45 CO 0.29 0.58 1.96 0.00 0.02 0.00 0.00 175.26 178.12 3g4s h ALA 46 N 5.63 1.81 -0.43 5.21 0.00 -1.92 -2.61 119.26 126.95 3g4s h ALA 46 Ca -0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3g4s h ALA 46 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3g4s h ALA 46 CO 0.62 0.07 -0.31 0.00 0.00 0.00 0.00 179.25 179.62 3g4s h ARG 47 N 0.64 0.96 0.00 0.00 3.08 -1.93 -3.24 114.38 113.89 3g4s h ARG 47 Ca 0.31 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 3g4s h ARG 47 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3g4s h ARG 47 CO -0.10 1.13 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.72 3g4s h ASN 48 N 0.80 0.00 -3.52 7.04 2.35 -1.91 -3.43 115.58 116.92 3g4s h ASN 48 Ca 0.08 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.22 3g4s h ASN 48 Cb 0.90 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.15 3g4s h ASN 48 CO 0.08 0.29 -0.01 -0.76 -1.65 0.00 0.00 177.43 175.38 3g4s s LEU 49 N -6.68 4.09 0.53 1.61 1.43 -1.04 -4.99 118.68 113.64 3g4s s LEU 49 Ca 0.02 0.60 0.20 0.00 -1.03 0.00 0.00 54.13 53.92 3g4s s LEU 49 Cb 0.09 -2.70 1.38 0.00 0.03 0.00 0.00 46.19 45.00 3g4s s LEU 49 CO 0.67 -0.25 2.12 -0.33 0.23 0.00 0.00 176.35 178.79 3g4s h GLU 50 N 7.77 0.00 0.00 1.70 5.08 -1.85 -3.17 114.58 124.10 3g4s h GLU 50 Ca -0.31 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 3g4s h GLU 50 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3g4s h GLU 50 CO 0.73 0.00 -0.24 0.11 -1.00 0.00 0.00 179.01 178.61 3g4s h TRP 51 N 0.00 0.00 -3.89 4.33 5.08 -1.94 -3.42 115.95 116.11 3g4s h TRP 51 Ca 0.06 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.53 3g4s h TRP 51 Cb 0.26 0.00 0.04 0.00 -3.00 0.00 0.00 29.16 26.46 3g4s h TRP 51 CO 0.00 0.24 0.51 0.95 -1.28 0.00 0.00 178.44 178.87 3g4s s THR 52 N -3.40 3.22 -1.43 0.12 -4.23 -1.20 -4.92 115.64 103.79 3g4s s THR 52 Ca 0.03 1.11 0.11 0.00 -1.18 0.00 0.00 61.69 61.75 3g4s s THR 52 Cb 0.09 -3.66 0.20 0.00 1.34 0.00 0.00 72.50 70.46 3g4s s THR 52 CO 0.66 0.17 1.25 -0.67 -0.54 0.00 0.00 174.62 175.50 3g4s n ASP 53 N 0.51 0.00 0.03 3.99 2.03 -1.10 -1.75 116.55 120.26 3g4s n ASP 53 Ca 0.02 0.12 -0.20 0.00 0.52 0.00 0.00 54.79 55.25 3g4s n ASP 53 Cb 0.45 -0.28 -0.14 0.00 -0.72 0.00 0.00 41.12 40.43 3g4s n ASP 53 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3g4s h THR 54 N 0.00 1.36 0.32 5.18 2.02 -1.71 -3.38 112.91 116.70 3g4s h THR 54 Ca 0.00 -2.48 -0.02 0.00 0.77 0.00 0.00 66.41 64.68 3g4s h THR 54 Cb 0.10 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3g4s h THR 54 CO 0.00 0.70 -0.16 0.00 0.37 0.00 0.00 175.52 176.43 3g4s h ALA 55 N 0.02 -0.44 -0.01 6.16 0.00 -1.52 -3.48 119.26 120.00 3g4s h ALA 55 Ca -0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3g4s h ALA 55 Cb 1.65 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3g4s h ALA 55 CO 0.11 -0.62 0.00 2.89 0.00 0.00 0.00 179.25 181.63