#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y s GLU 5 N 0.00 1.08 -0.14 5.56 2.12 -1.26 -1.49 118.70 124.57 1q7y s GLU 5 Ca 0.00 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.50 1q7y s GLU 5 Cb 0.00 -1.06 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 1q7y s GLU 5 CO 0.00 0.29 1.72 0.00 -0.54 0.00 0.00 175.26 176.73 1q7y n ASP 7 N 8.24 0.00 0.04 0.00 8.00 -0.68 -0.93 116.55 131.23 1q7y n ASP 7 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1q7y n ASP 7 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1q7y n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q7y n TYR 8 N -0.09 -0.33 -0.02 1.24 9.36 -1.26 -4.88 117.16 121.19 1q7y n TYR 8 Ca 0.00 0.06 -0.08 0.00 3.32 0.00 0.00 57.90 61.20 1q7y n TYR 8 Cb 0.00 0.12 -0.13 0.00 -0.63 0.00 0.00 39.34 38.70 1q7y n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1q7y n GLY 10 N 1.53 0.47 3.79 0.00 0.00 -0.10 -0.42 105.19 110.46 1q7y n GLY 10 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1q7y n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q7y s THR 11 N -2.18 3.13 -0.02 2.61 -4.23 -1.26 -4.38 115.64 109.32 1q7y s THR 11 Ca 0.00 0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.58 1q7y s THR 11 Cb 0.00 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1q7y s THR 11 CO 0.00 -0.48 1.21 -1.81 -0.54 0.00 0.00 174.62 173.01 1q7y s ASP 12 N -3.75 7.05 -0.35 3.99 1.01 -1.26 0.07 116.67 123.42 1q7y s ASP 12 Ca 0.61 1.90 -0.29 0.00 0.71 0.00 0.00 52.55 55.48 1q7y s ASP 12 Cb -0.15 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.23 1q7y s ASP 12 CO 0.55 -0.56 1.20 -0.63 0.21 0.00 0.00 175.17 175.95 1q7y s ILE 13 N 1.87 4.25 0.07 0.77 1.01 -0.56 -4.87 121.20 123.75 1q7y s ILE 13 Ca 0.57 1.39 -0.34 0.00 0.00 0.00 0.00 60.65 62.28 1q7y s ILE 13 Cb -0.27 -4.34 -0.13 0.00 0.01 0.00 0.00 42.46 37.73 1q7y s ILE 13 CO 0.25 -0.62 1.69 1.21 0.00 0.00 0.00 174.94 177.47 1q7y n GLU 14 N 7.35 2.16 -1.52 2.79 4.07 -1.26 -4.51 120.64 129.71 1q7y n GLU 14 Ca 0.13 0.78 -0.40 0.00 -0.06 0.00 0.00 57.16 57.61 1q7y n GLU 14 Cb 0.47 -2.58 0.02 0.00 -0.06 0.00 0.00 31.44 29.29 1q7y n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1q7y n PRO 15 N 4.58 0.83 -3.14 5.31 -0.04 -1.26 -2.92 135.00 138.36 1q7y n PRO 15 Ca 0.19 0.31 -0.17 0.00 -0.04 0.00 0.00 63.50 63.78 1q7y n PRO 15 Cb 0.29 -1.79 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 1q7y n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q7y n GLY 16 N 1.55 -0.18 3.56 0.55 0.00 -1.26 -4.98 105.19 104.43 1q7y n GLY 16 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1q7y n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q7y s THR 17 N -3.16 0.02 0.00 2.61 2.01 -1.15 -5.16 115.64 110.82 1q7y s THR 17 Ca 0.36 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1q7y s THR 17 Cb -0.16 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1q7y s THR 17 CO 0.45 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 1q7y n GLY 18 N -0.35 -1.74 3.27 4.40 0.00 -1.26 -4.88 105.19 104.62 1q7y n GLY 18 Ca -0.07 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 1q7y n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q7y s THR 19 N -2.76 1.74 -0.19 2.61 2.01 -0.25 -4.95 115.64 113.86 1q7y s THR 19 Ca 0.00 -1.30 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 1q7y s THR 19 Cb 0.00 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1q7y s THR 19 CO 0.00 0.17 -0.04 -0.32 -0.69 0.00 0.00 174.62 173.74 1q7y s MET 20 N -1.35 3.52 -0.07 4.92 1.75 -1.26 0.04 119.30 126.84 1q7y s MET 20 Ca 0.08 -0.58 -0.10 0.00 -1.25 0.00 0.00 55.69 53.84 1q7y s MET 20 Cb -0.09 -2.97 -0.05 0.00 2.84 0.00 0.00 34.83 34.56 1q7y s MET 20 CO 0.02 0.01 0.24 0.12 -0.65 0.00 0.00 175.02 174.76 1q7y s PHE 21 N 0.97 3.65 -0.34 4.11 5.36 0.49 -4.90 117.98 127.32 1q7y s PHE 21 Ca 0.00 0.70 -0.08 0.00 -0.96 0.00 0.00 56.93 56.59 1q7y s PHE 21 Cb -0.15 -2.07 0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1q7y s PHE 21 CO 0.01 0.70 0.14 0.08 -1.46 0.00 0.00 175.22 174.69 1q7y s VAL 22 N -1.06 4.10 0.96 3.12 1.01 -1.26 -1.34 120.40 125.93 1q7y s VAL 22 Ca 0.19 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1q7y s VAL 22 Cb -0.14 -3.27 0.16 0.00 0.00 0.00 0.00 36.38 33.14 1q7y s VAL 22 CO 0.08 -0.15 1.09 -1.00 0.00 0.00 0.00 175.10 175.12 1q7y s HIS 23 N 1.47 2.10 0.10 5.22 0.09 0.14 -4.89 115.29 119.54 1q7y s HIS 23 Ca 0.00 1.21 -0.35 0.00 -0.00 0.00 0.00 55.06 55.93 1q7y s HIS 23 Cb -0.19 -3.19 -0.15 0.00 -0.00 0.00 0.00 32.58 29.06 1q7y s HIS 23 CO 0.04 -2.73 1.56 -0.22 -0.00 0.00 0.00 174.74 173.39 1q7y h LYS 24 N -1.79 -0.75 -0.36 1.40 3.64 -1.98 -0.85 116.57 115.87 1q7y h LYS 24 Ca -0.52 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1q7y h LYS 24 Cb 1.30 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1q7y h LYS 24 CO 0.54 -0.50 0.39 0.38 -2.27 0.00 0.00 179.45 177.99 1q7y h ASP 25 N -0.78 0.00 0.00 4.20 -0.00 -2.05 -3.44 116.42 114.35 1q7y h ASP 25 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 1q7y h ASP 25 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.10 1q7y h ASP 25 CO -0.26 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.59 1q7y n GLY 26 N -1.47 1.15 3.66 7.15 0.00 -0.32 -5.11 105.19 110.24 1q7y n GLY 26 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1q7y n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7y n ALA 27 N -0.10 -0.88 -3.08 4.61 0.00 -1.26 -4.63 120.51 115.18 1q7y n ALA 27 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 1q7y n ALA 27 Cb 0.00 -2.18 -0.16 0.00 0.00 0.00 0.00 19.45 17.11 1q7y n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q7y s THR 28 N -2.61 1.27 -0.19 0.00 2.01 -1.26 0.28 115.64 115.14 1q7y s THR 28 Ca 0.67 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1q7y s THR 28 Cb -0.23 -1.11 0.06 0.00 0.01 0.00 0.00 72.50 71.22 1q7y s THR 28 CO 0.58 0.38 0.02 -0.89 -0.69 0.00 0.00 174.62 174.02 1q7y s THR 29 N 0.24 0.62 0.03 -0.82 2.01 -0.45 -4.97 115.64 112.30 1q7y s THR 29 Ca -0.07 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1q7y s THR 29 Cb -0.12 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 1q7y s THR 29 CO 0.03 -0.17 0.73 -1.00 -0.69 0.00 0.00 174.62 173.51 1q7y s HIS 30 N 1.81 3.71 -0.03 4.92 3.76 -1.26 -0.38 115.29 127.83 1q7y s HIS 30 Ca -0.01 1.40 0.07 0.00 -0.15 0.00 0.00 55.06 56.37 1q7y s HIS 30 Cb -0.17 -2.78 -0.02 0.00 1.11 0.00 0.00 32.58 30.73 1q7y s HIS 30 CO -0.08 0.27 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.80 1q7y s PHE 31 N -0.01 2.10 -0.27 1.40 0.40 0.11 -1.68 117.98 120.03 1q7y s PHE 31 Ca 0.37 -0.45 0.18 0.00 -0.60 0.00 0.00 56.93 56.44 1q7y s PHE 31 Cb -0.20 -1.36 0.16 0.00 0.51 0.00 0.00 43.02 42.13 1q7y s PHE 31 CO 0.21 -0.07 1.47 0.00 0.70 0.00 0.00 175.22 177.53 1q7y s SER 33 N -6.30 -0.11 0.22 0.00 1.04 -1.26 -4.30 113.70 102.99 1q7y s SER 33 Ca 0.05 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.65 1q7y s SER 33 Cb 0.07 0.77 0.19 0.00 0.10 0.00 0.00 66.02 67.14 1q7y s SER 33 CO 0.72 -1.49 1.51 0.77 0.98 0.00 0.00 173.24 175.73 1q7y h SER 34 N 2.00 0.18 0.62 7.02 4.64 -1.99 -2.72 113.55 123.30 1q7y h SER 34 Ca -0.27 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1q7y h SER 34 Cb 1.25 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1q7y h SER 34 CO 0.33 0.82 -0.30 0.50 -0.87 0.00 0.00 176.83 177.31 1q7y h LYS 35 N 0.10 -0.81 0.14 4.77 3.64 -1.98 -1.32 116.57 121.11 1q7y h LYS 35 Ca -0.02 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1q7y h LYS 35 Cb 1.24 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 1q7y h LYS 35 CO 0.10 -0.51 -0.28 0.00 -2.27 0.00 0.00 179.45 176.49 1q7y n GLU 37 N -4.04 -0.19 0.19 0.00 1.02 -1.03 0.16 120.64 116.75 1q7y n GLU 37 Ca -0.05 0.70 0.04 0.00 -0.02 0.00 0.00 57.16 57.83 1q7y n GLU 37 Cb 0.23 -1.03 0.44 0.00 -0.02 0.00 0.00 31.44 31.07 1q7y n GLU 37 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1q7y h ASN 38 N 0.00 0.05 -0.33 1.62 2.35 -0.92 -0.52 115.58 117.83 1q7y h ASN 38 Ca 0.07 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 1q7y h ASN 38 Cb 0.18 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1q7y h ASN 38 CO -0.41 0.27 -0.38 0.78 -1.65 0.00 0.00 177.43 176.05 1q7y h ASN 39 N 0.05 0.93 0.02 5.81 4.21 0.35 -3.00 115.58 123.95 1q7y h ASN 39 Ca 0.01 -0.42 0.03 0.00 1.21 0.00 0.00 56.30 57.13 1q7y h ASN 39 Cb 0.41 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 37.30 1q7y h ASN 39 CO 0.03 1.20 -0.36 0.00 -1.29 0.00 0.00 177.43 177.00 1q7y h ALA 40 N 0.84 -0.56 0.00 -0.83 0.00 0.18 -0.98 119.26 117.91 1q7y h ALA 40 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1q7y h ALA 40 Cb 0.95 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1q7y h ALA 40 CO 0.09 -0.89 0.23 -0.44 0.00 0.00 0.00 179.25 178.24 1q7y h ASP 41 N -0.53 0.00 1.23 0.00 3.32 -1.05 0.72 116.42 120.12 1q7y h ASP 41 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1q7y h ASP 41 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1q7y h ASP 41 CO -0.28 0.00 -0.11 0.18 -1.72 0.00 0.00 179.24 177.32 1q7y n LEU 42 N -2.83 0.58 0.00 1.55 4.77 -0.38 -4.89 117.00 115.79 1q7y n LEU 42 Ca -0.02 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1q7y n LEU 42 Cb 0.28 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1q7y n LEU 42 CO 0.14 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1q7y n GLY 43 N 1.37 0.86 3.82 -0.72 0.00 0.25 -5.07 105.19 105.70 1q7y n GLY 43 Ca 0.06 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1q7y n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q7y s ARG 44 N -0.69 4.19 -0.20 1.61 0.52 -1.15 -5.04 118.95 118.20 1q7y s ARG 44 Ca 0.00 0.86 -0.09 0.00 -0.52 0.00 0.00 55.73 55.98 1q7y s ARG 44 Cb 0.00 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 1q7y s ARG 44 CO 0.00 0.27 0.10 -1.21 0.02 0.00 0.00 175.30 174.48 1q7y s GLU 45 N -2.43 4.07 0.58 3.54 2.02 -1.26 -4.42 118.70 120.80 1q7y s GLU 45 Ca 0.49 -0.29 0.32 0.00 0.02 0.00 0.00 54.97 55.52 1q7y s GLU 45 Cb -0.14 -3.34 1.37 0.00 0.10 0.00 0.00 34.13 32.12 1q7y s GLU 45 CO 0.19 0.26 1.67 0.00 0.02 0.00 0.00 175.26 177.40 1q7y h ALA 46 N 6.79 2.82 0.00 5.21 0.00 -1.96 -0.58 119.26 131.55 1q7y h ALA 46 Ca -0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1q7y h ALA 46 Cb 1.16 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1q7y h ALA 46 CO 0.72 -1.38 -0.10 0.00 0.00 0.00 0.00 179.25 178.49 1q7y h ARG 47 N 0.00 0.00 -0.36 0.00 3.08 -1.91 -2.83 114.38 112.36 1q7y h ARG 47 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1q7y h ARG 47 Cb 2.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.27 1q7y h ARG 47 CO -0.00 0.10 0.00 0.09 -1.07 0.00 0.00 179.97 179.09 1q7y n ASN 48 N -3.38 2.94 -4.20 7.04 3.02 -0.22 -4.55 115.26 115.90 1q7y n ASN 48 Ca -0.01 -1.92 -0.36 0.00 -0.03 0.00 0.00 54.58 52.26 1q7y n ASN 48 Cb 0.28 -0.23 -0.13 0.00 -0.61 0.00 0.00 39.78 39.09 1q7y n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q7y s LEU 49 N -1.44 4.35 0.16 3.41 1.43 -1.07 -4.97 118.68 120.55 1q7y s LEU 49 Ca 0.37 -1.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.14 1q7y s LEU 49 Cb 0.21 -1.79 0.37 0.00 0.03 0.00 0.00 46.19 45.01 1q7y s LEU 49 CO 0.29 -0.35 1.08 -0.62 0.23 0.00 0.00 176.35 176.98 1q7y n GLU 50 N 4.69 0.05 0.00 1.70 1.02 -1.26 -0.91 120.64 125.92 1q7y n GLU 50 Ca -0.11 0.45 0.12 0.00 -0.02 0.00 0.00 57.16 57.60 1q7y n GLU 50 Cb 0.43 -1.87 0.20 0.00 -0.02 0.00 0.00 31.44 30.19 1q7y n GLU 50 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1q7y n TRP 51 N -1.69 0.00 -2.79 -0.32 4.27 -1.26 -4.73 117.44 110.92 1q7y n TRP 51 Ca -0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 1q7y n TRP 51 Cb 0.23 -0.03 -0.03 0.00 -1.36 0.00 0.00 31.31 30.12 1q7y n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1q7y s THR 52 N -2.27 4.89 0.33 -1.67 2.01 -0.09 -4.93 115.64 113.91 1q7y s THR 52 Ca 0.26 1.88 0.09 0.00 0.31 0.00 0.00 61.69 64.23 1q7y s THR 52 Cb 0.19 -4.24 0.32 0.00 0.01 0.00 0.00 72.50 68.79 1q7y s THR 52 CO 0.44 0.12 1.78 0.44 -0.69 0.00 0.00 174.62 176.72 1q7y h ASP 53 N 6.93 0.68 -0.29 3.53 5.19 -1.79 -0.07 116.42 130.60 1q7y h ASP 53 Ca -0.37 0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1q7y h ASP 53 Cb 1.19 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.61 1q7y h ASP 53 CO 0.79 0.22 -0.10 0.74 -3.12 0.00 0.00 179.24 177.77 1q7y h THR 54 N 0.65 0.65 -0.48 0.35 2.02 -1.04 -2.20 112.91 112.86 1q7y h THR 54 Ca 0.57 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.73 1q7y h THR 54 Cb 1.04 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1q7y h THR 54 CO -0.35 0.00 0.21 0.00 0.37 0.00 0.00 175.52 175.75 1q7y h ALA 55 N 1.23 0.62 0.00 6.16 0.00 -1.23 -3.47 119.26 122.58 1q7y h ALA 55 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1q7y h ALA 55 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1q7y h ALA 55 CO -0.32 0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.68