#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k s GLU 5 N 0.00 1.38 -0.32 5.56 2.12 -1.26 -1.61 118.70 124.57 1m1k s GLU 5 Ca 0.00 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.23 1m1k s GLU 5 Cb 0.00 -1.42 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 1m1k s GLU 5 CO 0.00 0.37 1.89 0.00 -0.54 0.00 0.00 175.26 176.99 1m1k n ASP 7 N 10.78 0.00 0.00 0.00 8.00 -0.61 -1.58 116.55 133.14 1m1k n ASP 7 Ca 0.24 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.74 1m1k n ASP 7 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1m1k n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m1k n TYR 8 N -0.59 0.00 0.06 1.24 9.36 -1.26 -4.86 117.16 121.12 1m1k n TYR 8 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1m1k n TYR 8 Cb 0.00 -0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 1m1k n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1m1k n GLY 10 N 1.35 1.86 3.77 0.00 0.00 -0.61 -0.13 105.19 111.44 1m1k n GLY 10 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1m1k n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m1k s THR 11 N -2.46 3.16 0.16 2.61 -4.23 -1.26 -4.41 115.64 109.21 1m1k s THR 11 Ca 0.00 0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.58 1m1k s THR 11 Cb 0.00 -2.98 -0.08 0.00 1.34 0.00 0.00 72.50 70.78 1m1k s THR 11 CO 0.00 -0.49 1.23 -1.81 -0.54 0.00 0.00 174.62 173.00 1m1k s ASP 12 N -3.62 7.04 -0.36 3.99 1.01 -1.26 -0.91 116.67 122.56 1m1k s ASP 12 Ca 0.61 2.22 -0.26 0.00 0.71 0.00 0.00 52.55 55.84 1m1k s ASP 12 Cb -0.16 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.18 1m1k s ASP 12 CO 0.56 -0.43 0.91 -0.63 0.21 0.00 0.00 175.17 175.79 1m1k s ILE 13 N 0.23 4.61 -0.04 0.77 1.01 -0.63 -4.86 121.20 122.29 1m1k s ILE 13 Ca 0.55 1.20 -0.34 0.00 0.00 0.00 0.00 60.65 62.06 1m1k s ILE 13 Cb -0.33 -4.32 -0.12 0.00 0.01 0.00 0.00 42.46 37.70 1m1k s ILE 13 CO 0.35 -0.50 1.81 1.21 0.00 0.00 0.00 174.94 177.81 1m1k n GLU 14 N 6.71 2.14 -1.58 2.79 4.07 -1.26 -4.53 120.64 128.98 1m1k n GLU 14 Ca 0.07 0.78 -0.41 0.00 -0.06 0.00 0.00 57.16 57.54 1m1k n GLU 14 Cb 0.48 -2.61 0.01 0.00 -0.06 0.00 0.00 31.44 29.27 1m1k n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1m1k n PRO 15 N 5.90 1.17 -2.87 5.31 -0.04 -1.26 -2.54 135.00 140.66 1m1k n PRO 15 Ca 0.21 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1m1k n PRO 15 Cb 0.29 -1.96 0.03 0.00 -0.04 0.00 0.00 33.50 31.82 1m1k n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m1k n GLY 16 N 1.30 0.06 3.41 0.55 0.00 -1.26 -5.01 105.19 104.25 1m1k n GLY 16 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1m1k n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1k s THR 17 N -3.02 0.02 0.00 2.61 2.01 -1.05 -5.18 115.64 111.03 1m1k s THR 17 Ca 0.24 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1m1k s THR 17 Cb -0.11 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1m1k s THR 17 CO 0.30 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1m1k n GLY 18 N -0.03 0.85 3.11 4.40 0.00 -1.26 -4.82 105.19 107.44 1m1k n GLY 18 Ca -0.17 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.70 1m1k n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1k s THR 19 N -1.85 0.94 -0.25 2.61 2.01 -0.28 -4.97 115.64 113.86 1m1k s THR 19 Ca 0.00 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 1m1k s THR 19 Cb 0.00 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1m1k s THR 19 CO 0.00 -0.02 -0.01 -0.32 -0.69 0.00 0.00 174.62 173.58 1m1k s MET 20 N -1.04 3.10 -0.12 4.92 1.75 -1.26 0.62 119.30 127.27 1m1k s MET 20 Ca 0.00 -0.82 -0.15 0.00 -1.25 0.00 0.00 55.69 53.47 1m1k s MET 20 Cb -0.07 -3.11 -0.05 0.00 2.84 0.00 0.00 34.83 34.44 1m1k s MET 20 CO 0.01 -0.34 0.37 0.12 -0.65 0.00 0.00 175.02 174.53 1m1k s PHE 21 N 1.43 3.52 -0.33 4.11 5.36 -0.23 -4.90 117.98 126.94 1m1k s PHE 21 Ca 0.03 0.76 -0.14 0.00 -0.96 0.00 0.00 56.93 56.62 1m1k s PHE 21 Cb -0.16 -2.40 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1m1k s PHE 21 CO -0.02 0.28 0.28 0.08 -1.46 0.00 0.00 175.22 174.39 1m1k s VAL 22 N 0.26 5.24 0.78 3.12 1.01 -1.26 -1.65 120.40 127.91 1m1k s VAL 22 Ca 0.21 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1m1k s VAL 22 Cb -0.14 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1m1k s VAL 22 CO 0.08 0.00 1.09 -1.00 0.00 0.00 0.00 175.10 175.26 1m1k s HIS 23 N 1.85 2.83 0.15 5.22 0.09 0.61 -4.92 115.29 121.12 1m1k s HIS 23 Ca 0.09 1.26 -0.20 0.00 -0.00 0.00 0.00 55.06 56.21 1m1k s HIS 23 Cb -0.17 -3.06 0.03 0.00 -0.00 0.00 0.00 32.58 29.39 1m1k s HIS 23 CO 0.11 -1.70 1.66 -0.22 -0.00 0.00 0.00 174.74 174.60 1m1k h LYS 24 N -1.04 -0.11 0.00 1.40 3.64 -1.98 0.01 116.57 118.49 1m1k h LYS 24 Ca -0.46 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1m1k h LYS 24 Cb 1.25 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1m1k h LYS 24 CO 0.58 -0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 177.28 1m1k n ASP 25 N -5.31 0.61 0.00 4.20 3.85 -1.26 -4.84 116.55 113.81 1m1k n ASP 25 Ca -0.00 0.72 0.00 0.00 -0.71 0.00 0.00 54.79 54.79 1m1k n ASP 25 Cb 0.22 -0.82 0.00 0.00 -1.35 0.00 0.00 41.12 39.17 1m1k n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1m1k n GLY 26 N -0.69 0.69 3.71 6.12 0.00 -0.01 -5.09 105.19 109.91 1m1k n GLY 26 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1m1k n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1k s ALA 27 N -2.00 1.99 -0.00 4.61 0.00 -1.26 -4.63 121.76 120.47 1m1k s ALA 27 Ca 0.00 0.96 0.08 0.00 0.00 0.00 0.00 51.96 52.99 1m1k s ALA 27 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1m1k s ALA 27 CO 0.00 -2.10 -0.24 0.99 0.00 0.00 0.00 175.76 174.41 1m1k s THR 28 N -1.92 1.93 -0.19 0.00 2.01 -1.26 -0.29 115.64 115.92 1m1k s THR 28 Ca 0.76 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 1m1k s THR 28 Cb -0.31 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.65 1m1k s THR 28 CO 0.47 0.49 0.07 -0.89 -0.69 0.00 0.00 174.62 174.07 1m1k s THR 29 N -0.62 0.18 -0.08 -0.82 2.01 -0.66 -4.99 115.64 110.66 1m1k s THR 29 Ca 0.10 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.47 1m1k s THR 29 Cb -0.09 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1m1k s THR 29 CO -0.00 -0.29 0.71 -1.00 -0.69 0.00 0.00 174.62 173.35 1m1k s HIS 30 N 2.01 3.55 0.06 4.92 3.76 -1.26 -1.07 115.29 127.26 1m1k s HIS 30 Ca 0.01 1.24 0.06 0.00 -0.15 0.00 0.00 55.06 56.22 1m1k s HIS 30 Cb -0.16 -2.83 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1m1k s HIS 30 CO -0.11 0.04 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.66 1m1k s PHE 31 N 1.01 2.76 -0.12 1.40 0.40 0.20 -1.58 117.98 122.05 1m1k s PHE 31 Ca 0.37 -0.13 0.16 0.00 -0.60 0.00 0.00 56.93 56.73 1m1k s PHE 31 Cb -0.18 -1.49 -0.09 0.00 0.51 0.00 0.00 43.02 41.77 1m1k s PHE 31 CO 0.17 0.39 0.98 0.00 0.70 0.00 0.00 175.22 177.45 1m1k s SER 33 N -5.95 0.04 0.35 0.00 1.04 -1.26 -4.27 113.70 103.65 1m1k s SER 33 Ca -0.01 -0.98 0.18 0.00 0.48 0.00 0.00 55.95 55.61 1m1k s SER 33 Cb 0.08 0.71 0.58 0.00 0.10 0.00 0.00 66.02 67.50 1m1k s SER 33 CO 0.80 -1.38 1.69 0.77 0.98 0.00 0.00 173.24 176.10 1m1k h SER 34 N 2.09 0.00 -0.54 7.02 4.64 -1.99 -2.88 113.55 121.88 1m1k h SER 34 Ca -0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1m1k h SER 34 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1m1k h SER 34 CO 0.34 0.42 0.12 0.50 -0.87 0.00 0.00 176.83 177.34 1m1k h LYS 35 N 0.00 0.88 0.53 4.77 3.64 -1.98 -0.76 116.57 123.64 1m1k h LYS 35 Ca -0.00 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1m1k h LYS 35 Cb 0.97 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1m1k h LYS 35 CO 0.05 0.83 -0.26 0.00 -2.27 0.00 0.00 179.45 177.81 1m1k n GLU 37 N -4.89 -0.31 -0.23 0.00 1.02 -1.10 0.21 120.64 115.35 1m1k n GLU 37 Ca -0.09 1.36 0.03 0.00 -0.02 0.00 0.00 57.16 58.44 1m1k n GLU 37 Cb 0.28 -2.01 0.27 0.00 -0.02 0.00 0.00 31.44 29.95 1m1k n GLU 37 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1m1k h ASN 38 N 0.00 0.83 -0.15 1.62 2.35 -1.15 0.34 115.58 119.43 1m1k h ASN 38 Ca 0.22 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1m1k h ASN 38 Cb 0.45 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1m1k h ASN 38 CO -0.86 0.58 -0.23 0.78 -1.65 0.00 0.00 177.43 176.04 1m1k h ASN 39 N 0.97 0.60 0.27 5.81 4.21 0.60 -2.78 115.58 125.26 1m1k h ASN 39 Ca 0.31 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 1m1k h ASN 39 Cb 0.03 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.07 1m1k h ASN 39 CO -0.09 0.82 -0.13 0.00 -1.29 0.00 0.00 177.43 176.74 1m1k h ALA 40 N 1.23 -0.37 -0.28 -0.83 0.00 0.40 -2.60 119.26 116.81 1m1k h ALA 40 Ca 0.08 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1m1k h ALA 40 Cb 0.68 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1m1k h ALA 40 CO 0.05 -0.55 0.48 -0.44 0.00 0.00 0.00 179.25 178.79 1m1k h ASP 41 N -0.68 0.00 0.49 0.00 3.32 -0.92 2.50 116.42 121.13 1m1k h ASP 41 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1m1k h ASP 41 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1m1k h ASP 41 CO 0.06 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 1m1k n LEU 42 N -3.32 0.00 0.00 1.55 4.77 -1.00 -4.87 117.00 114.12 1m1k n LEU 42 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1m1k n LEU 42 Cb 0.61 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1m1k n LEU 42 CO 0.21 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1m1k n GLY 43 N 1.21 0.59 3.87 -0.72 0.00 0.84 -5.05 105.19 105.93 1m1k n GLY 43 Ca 0.15 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1m1k n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m1k s ARG 44 N -0.79 3.85 -0.19 1.61 0.52 -1.08 -5.04 118.95 117.82 1m1k s ARG 44 Ca 0.00 0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 55.67 1m1k s ARG 44 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 1m1k s ARG 44 CO 0.00 0.05 0.01 -1.21 0.02 0.00 0.00 175.30 174.17 1m1k s GLU 45 N -3.50 3.70 0.50 3.54 2.02 -1.26 -4.45 118.70 119.25 1m1k s GLU 45 Ca 0.52 -0.48 0.39 0.00 0.02 0.00 0.00 54.97 55.42 1m1k s GLU 45 Cb -0.10 -3.11 1.56 0.00 0.10 0.00 0.00 34.13 32.58 1m1k s GLU 45 CO 0.26 0.08 1.64 0.00 0.02 0.00 0.00 175.26 177.27 1m1k h ALA 46 N 7.28 3.23 -0.08 5.21 0.00 -1.94 0.81 119.26 133.77 1m1k h ALA 46 Ca -0.35 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1m1k h ALA 46 Cb 1.18 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1m1k h ALA 46 CO 0.63 -1.77 -0.07 0.00 0.00 0.00 0.00 179.25 178.03 1m1k h ARG 47 N 0.05 0.11 -0.01 0.00 3.08 -1.92 -2.38 114.38 113.30 1m1k h ARG 47 Ca 0.81 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.84 1m1k h ARG 47 Cb 2.94 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.97 1m1k h ARG 47 CO -0.18 0.20 -0.06 0.09 -1.07 0.00 0.00 179.97 178.95 1m1k n ASN 48 N -4.39 1.23 -4.37 7.04 3.02 0.28 -4.47 115.26 113.61 1m1k n ASN 48 Ca -0.02 -1.28 -0.41 0.00 -0.03 0.00 0.00 54.58 52.85 1m1k n ASN 48 Cb 0.19 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.28 1m1k n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1m1k s LEU 49 N -2.14 4.93 0.52 3.41 1.43 -0.90 -4.97 118.68 120.97 1m1k s LEU 49 Ca 0.35 -1.10 0.30 0.00 -1.03 0.00 0.00 54.13 52.65 1m1k s LEU 49 Cb 0.21 -2.05 1.63 0.00 0.03 0.00 0.00 46.19 46.01 1m1k s LEU 49 CO 0.39 -0.45 1.90 -0.33 0.23 0.00 0.00 176.35 178.09 1m1k h GLU 50 N 8.49 0.00 0.00 1.70 5.08 -1.84 -1.35 114.58 126.66 1m1k h GLU 50 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1m1k h GLU 50 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1m1k h GLU 50 CO 0.71 0.00 -0.42 0.11 -1.00 0.00 0.00 179.01 178.41 1m1k h TRP 51 N 0.00 0.00 -3.24 4.33 5.08 -1.93 -3.43 115.95 116.76 1m1k h TRP 51 Ca 0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 1m1k h TRP 51 Cb 0.26 0.00 0.04 0.00 -3.00 0.00 0.00 29.16 26.46 1m1k h TRP 51 CO 0.00 0.00 0.74 0.99 -1.28 0.00 0.00 178.44 178.89 1m1k s THR 52 N -3.24 2.92 0.40 0.12 2.01 -0.51 -4.91 115.64 112.44 1m1k s THR 52 Ca 0.05 0.73 0.10 0.00 0.31 0.00 0.00 61.69 62.88 1m1k s THR 52 Cb 0.09 -3.47 0.31 0.00 0.01 0.00 0.00 72.50 69.44 1m1k s THR 52 CO 0.71 0.10 1.98 0.44 -0.69 0.00 0.00 174.62 177.15 1m1k h ASP 53 N 5.68 0.50 0.45 3.53 5.19 -1.72 -0.61 116.42 129.44 1m1k h ASP 53 Ca -0.44 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.96 1m1k h ASP 53 Cb 1.21 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1m1k h ASP 53 CO 0.81 0.31 -0.42 0.74 -3.12 0.00 0.00 179.24 177.56 1m1k h THR 54 N 0.56 0.16 -0.57 0.35 2.02 -0.84 -1.98 112.91 112.62 1m1k h THR 54 Ca 0.28 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.51 1m1k h THR 54 Cb 0.38 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1m1k h THR 54 CO -0.09 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.18 1m1k h ALA 55 N -0.55 1.79 0.00 6.16 0.00 -1.54 -3.48 119.26 121.64 1m1k h ALA 55 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1m1k h ALA 55 Cb 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1m1k h ALA 55 CO -0.05 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.87