#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 s LYS 2 N 0.00 3.45 -0.24 0.03 2.47 -1.26 -4.95 119.74 119.24 2aw4 s LYS 2 Ca 0.00 1.52 -0.14 0.00 -1.56 0.00 0.00 55.97 55.80 2aw4 s LYS 2 Cb 0.00 -4.17 -0.04 0.00 -1.46 0.00 0.00 37.83 32.16 2aw4 s LYS 2 CO 0.00 -1.72 0.31 1.03 0.16 0.00 0.00 175.35 175.13 2aw4 s ARG 3 N 5.43 4.07 -0.30 4.03 1.81 -1.26 -4.97 118.95 127.77 2aw4 s ARG 3 Ca 0.79 -0.03 -0.10 0.00 -1.72 0.00 0.00 55.73 54.68 2aw4 s ARG 3 Cb -0.24 -3.59 -0.09 0.00 -0.45 0.00 0.00 34.95 30.58 2aw4 s ARG 3 CO 0.33 -0.11 1.29 -2.37 -0.68 0.00 0.00 175.30 173.75 2aw4 n THR 4 N 4.68 0.00 0.00 0.02 5.66 -1.26 -4.43 114.28 118.94 2aw4 n THR 4 Ca -0.11 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2aw4 n THR 4 Cb 0.51 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 2aw4 n THR 4 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2aw4 n PHE 5 N 9.01 0.00 -2.42 1.09 3.01 -1.26 -5.14 117.46 121.75 2aw4 n PHE 5 Ca 0.14 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.57 2aw4 n PHE 5 Cb 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 2aw4 n PHE 5 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2aw4 n GLN 6 N 0.00 -3.46 -2.19 -1.08 7.27 -1.26 -5.01 117.38 111.65 2aw4 n GLN 6 Ca 0.00 2.74 -0.31 0.00 0.07 0.00 0.00 57.00 59.50 2aw4 n GLN 6 Cb 0.00 -4.42 -0.01 0.00 2.41 0.00 0.00 30.24 28.22 2aw4 n GLN 6 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2aw4 s PRO 7 N -0.94 3.73 -0.32 3.69 0.04 -1.26 -5.06 135.00 134.88 2aw4 s PRO 7 Ca -0.16 0.76 -0.09 0.00 0.04 0.00 0.00 61.00 61.54 2aw4 s PRO 7 Cb 0.01 -2.15 0.19 0.00 0.04 0.00 0.00 34.50 32.59 2aw4 s PRO 7 CO 0.65 -0.40 1.05 -1.54 0.04 0.00 0.00 177.00 176.81 2aw4 s SER 8 N -3.71 -0.31 0.09 6.66 1.04 -1.26 -5.07 113.70 111.13 2aw4 s SER 8 Ca 0.55 -0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.65 2aw4 s SER 8 Cb -0.11 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2aw4 s SER 8 CO 0.44 -0.03 1.01 0.52 0.98 0.00 0.00 173.24 176.15 2aw4 n VAL 9 N 3.64 -0.37 -0.32 5.02 0.31 -1.26 0.97 118.33 126.32 2aw4 n VAL 9 Ca 0.06 1.57 0.21 0.00 -0.01 0.00 0.00 64.34 66.17 2aw4 n VAL 9 Cb 0.63 -1.96 0.41 0.00 -0.91 0.00 0.00 33.84 32.01 2aw4 n VAL 9 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2aw4 h LEU 10 N 0.00 0.10 -3.15 7.52 6.46 -2.02 1.03 115.31 125.26 2aw4 h LEU 10 Ca 0.09 0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.99 2aw4 h LEU 10 Cb 0.22 0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2aw4 h LEU 10 CO -0.51 -0.27 0.09 0.29 -0.62 0.00 0.00 178.44 177.41 2aw4 n LYS 11 N -5.25 1.22 -1.30 1.25 5.02 0.27 -3.72 118.16 115.65 2aw4 n LYS 11 Ca 0.29 -0.40 0.04 0.00 -2.02 0.00 0.00 58.31 56.21 2aw4 n LYS 11 Cb 0.93 -1.18 0.04 0.00 -0.02 0.00 0.00 35.03 34.80 2aw4 n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2aw4 n ARG 12 N 1.27 0.16 0.00 1.97 0.63 0.36 -4.69 116.66 116.35 2aw4 n ARG 12 Ca 0.09 -2.02 0.00 0.00 -0.92 0.00 0.00 57.85 55.00 2aw4 n ARG 12 Cb 0.53 -0.21 0.00 0.00 0.45 0.00 0.00 32.46 33.23 2aw4 n ARG 12 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2aw4 n ASN 13 N 0.28 0.00 -0.23 6.15 5.15 -0.06 -3.20 115.26 123.34 2aw4 n ASN 13 Ca 0.07 0.00 0.23 0.00 -0.60 0.00 0.00 54.58 54.27 2aw4 n ASN 13 Cb 1.06 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 40.89 2aw4 n ASN 13 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2aw4 h ARG 14 N 0.00 0.26 0.00 1.20 1.12 -1.88 1.47 114.38 116.55 2aw4 h ARG 14 Ca 0.00 -0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.75 2aw4 h ARG 14 Cb 0.00 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 2aw4 h ARG 14 CO 0.00 0.17 -0.51 1.03 -3.11 0.00 0.00 179.97 177.55 2aw4 h SER 15 N 0.27 0.00 -3.58 -3.80 0.87 -1.90 -3.47 113.55 101.94 2aw4 h SER 15 Ca 0.47 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 61.22 2aw4 h SER 15 Cb 1.40 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 63.11 2aw4 h SER 15 CO -0.14 0.51 0.80 -2.28 -0.53 0.00 0.00 176.83 175.19 2aw4 s HIS 16 N -3.54 -0.16 0.00 2.24 2.46 0.50 -5.01 115.29 111.78 2aw4 s HIS 16 Ca -0.00 0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.78 2aw4 s HIS 16 Cb 0.11 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 33.05 2aw4 s HIS 16 CO 0.73 -0.16 0.00 0.41 -2.47 0.00 0.00 174.74 173.25 2aw4 n GLY 17 N 0.52 0.99 7.00 1.59 0.00 -1.24 -0.89 105.19 113.16 2aw4 n GLY 17 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2aw4 n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2aw4 n PHE 18 N 3.91 0.00 0.85 1.61 3.01 -1.20 -3.57 117.46 122.06 2aw4 n PHE 18 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 2aw4 n PHE 18 Cb 0.00 0.07 0.24 0.00 -0.01 0.00 0.00 39.48 39.78 2aw4 n PHE 18 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2aw4 n ARG 19 N 5.52 0.10 0.17 -1.08 -4.01 -1.26 -4.08 116.66 112.02 2aw4 n ARG 19 Ca 0.00 0.03 0.18 0.00 -1.04 0.00 0.00 57.85 57.02 2aw4 n ARG 19 Cb 0.00 -1.56 0.70 0.00 -3.04 0.00 0.00 32.46 28.56 2aw4 n ARG 19 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2aw4 h ALA 20 N 2.83 1.90 -0.77 2.89 0.00 -1.82 -0.93 119.26 123.35 2aw4 h ALA 20 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 2aw4 h ALA 20 Cb 0.59 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2aw4 h ALA 20 CO 0.00 -0.65 0.66 0.00 0.00 0.00 0.00 179.25 179.26 2aw4 h ARG 21 N 0.00 0.00 -0.99 0.00 2.47 -1.75 -1.01 114.38 113.10 2aw4 h ARG 21 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2aw4 h ARG 21 Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 2aw4 h ARG 21 CO -0.00 0.00 0.02 -1.33 0.56 0.00 0.00 179.97 179.21 2aw4 n MET 22 N -3.94 1.15 0.00 0.04 2.81 -0.36 -0.74 117.12 116.09 2aw4 n MET 22 Ca 0.16 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2aw4 n MET 22 Cb 0.93 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 2aw4 n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2aw4 n ALA 23 N 0.20 2.05 -3.26 3.04 0.00 -0.38 -4.94 120.51 117.22 2aw4 n ALA 23 Ca 0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 2aw4 n ALA 23 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 2aw4 n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2aw4 s THR 24 N -0.41 0.01 0.24 0.00 -4.23 -1.24 -5.00 115.64 105.01 2aw4 s THR 24 Ca 0.00 -0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.33 2aw4 s THR 24 Cb 0.00 -0.53 0.32 0.00 1.34 0.00 0.00 72.50 73.64 2aw4 s THR 24 CO 0.00 -0.03 1.50 0.29 -0.54 0.00 0.00 174.62 175.84 2aw4 n LYS 25 N 2.70 -0.17 -0.04 3.99 4.01 -1.26 0.12 118.16 127.51 2aw4 n LYS 25 Ca -0.14 1.49 -0.14 0.00 -0.51 0.00 0.00 58.31 59.01 2aw4 n LYS 25 Cb 0.57 -2.22 -0.09 0.00 -0.51 0.00 0.00 35.03 32.78 2aw4 n LYS 25 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 2aw4 h ASN 26 N 0.00 0.33 -0.50 4.39 -1.07 -1.97 -1.55 115.58 115.21 2aw4 h ASN 26 Ca 0.39 -0.61 0.10 0.00 0.07 0.00 0.00 56.30 56.25 2aw4 h ASN 26 Cb 0.63 -0.10 -0.10 0.00 -2.07 0.00 0.00 38.32 36.68 2aw4 h ASN 26 CO -0.97 0.88 -0.25 1.23 0.07 0.00 0.00 177.43 178.38 2aw4 h GLY 27 N -0.20 0.05 2.00 9.14 0.00 -0.48 0.42 103.07 113.99 2aw4 h GLY 27 Ca -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 2aw4 h GLY 27 CO 0.05 -0.22 -0.19 -0.09 0.00 0.00 0.00 176.54 176.09 2aw4 h ARG 28 N -0.14 0.00 -0.25 4.80 2.43 0.32 -2.94 114.38 118.59 2aw4 h ARG 28 Ca 0.23 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2aw4 h ARG 28 Cb 0.50 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2aw4 h ARG 28 CO -0.59 0.19 -0.02 1.96 -1.51 0.00 0.00 179.97 180.01 2aw4 h GLN 29 N 0.00 0.46 -0.72 0.20 1.08 0.70 -3.06 115.11 113.76 2aw4 h GLN 29 Ca -0.00 -0.15 0.15 0.00 -1.45 0.00 0.00 58.65 57.19 2aw4 h GLN 29 Cb 0.76 -0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 28.02 2aw4 h GLN 29 CO 0.03 0.64 -0.14 0.28 -0.95 0.00 0.00 178.83 178.69 2aw4 h VAL 30 N 0.22 0.29 -0.40 -0.54 2.07 -0.29 -0.57 116.25 117.05 2aw4 h VAL 30 Ca 0.07 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.65 2aw4 h VAL 30 Cb 0.45 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2aw4 h VAL 30 CO 0.02 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.59 2aw4 h LEU 31 N 0.02 -0.05 0.03 2.57 -0.00 -1.61 0.20 115.31 116.48 2aw4 h LEU 31 Ca 0.36 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 58.31 2aw4 h LEU 31 Cb 0.57 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2aw4 h LEU 31 CO -0.72 0.01 -0.02 0.00 -0.00 0.00 0.00 178.44 177.70 2aw4 h ALA 32 N 1.32 -0.88 -1.16 1.53 0.00 -1.13 0.52 119.26 119.47 2aw4 h ALA 32 Ca 0.19 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.42 2aw4 h ALA 32 Cb 0.25 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2aw4 h ALA 32 CO -0.28 -0.87 0.81 0.07 0.00 0.00 0.00 179.25 178.98 2aw4 h ARG 33 N -0.06 0.11 0.07 0.00 0.11 -1.35 -1.12 114.38 112.15 2aw4 h ARG 33 Ca -0.00 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2aw4 h ARG 33 Cb 0.05 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.10 2aw4 h ARG 33 CO 0.00 0.07 -0.04 -0.09 0.10 0.00 0.00 179.97 180.02 2aw4 h ARG 34 N 0.11 -0.09 0.00 0.08 2.43 -0.17 -3.25 114.38 113.50 2aw4 h ARG 34 Ca 0.59 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 2aw4 h ARG 34 Cb 2.08 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.65 2aw4 h ARG 34 CO -0.10 -0.06 0.00 -2.13 -1.51 0.00 0.00 179.97 176.16 2aw4 n ARG 35 N -3.67 0.00 0.00 0.20 3.00 0.18 -4.00 116.66 112.36 2aw4 n ARG 35 Ca -0.01 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 2aw4 n ARG 35 Cb 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.36 2aw4 n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2aw4 n ALA 36 N -1.08 -0.02 -1.54 5.13 0.00 -0.45 -2.18 120.51 120.36 2aw4 n ALA 36 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2aw4 n ALA 36 Cb 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 2aw4 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aw4 n LYS 37 N -1.71 1.37 -2.42 0.00 5.02 -1.17 -2.58 118.16 116.67 2aw4 n LYS 37 Ca 0.00 0.29 -0.05 0.00 -2.02 0.00 0.00 58.31 56.53 2aw4 n LYS 37 Cb 0.00 -3.00 0.01 0.00 -0.02 0.00 0.00 35.03 32.02 2aw4 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aw4 n GLY 38 N 6.08 -1.17 3.43 0.72 0.00 -1.26 -4.47 105.19 108.52 2aw4 n GLY 38 Ca 0.37 0.82 -0.63 0.00 0.00 0.00 0.00 46.02 46.59 2aw4 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw4 n ARG 39 N -0.35 0.00 -4.29 1.61 1.74 -0.93 -4.64 116.66 109.81 2aw4 n ARG 39 Ca 0.08 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 2aw4 n ARG 39 Cb 0.31 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.21 2aw4 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aw4 s ALA 40 N 4.16 3.38 0.23 7.54 0.00 -1.17 -4.94 121.76 130.96 2aw4 s ALA 40 Ca 1.08 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2aw4 s ALA 40 Cb -1.46 -1.53 0.24 0.00 0.00 0.00 0.00 23.12 20.38 2aw4 s ALA 40 CO 0.73 0.61 1.56 0.00 0.00 0.00 0.00 175.76 178.65 2aw4 h ARG 41 N 4.95 0.28 0.00 0.00 -0.00 -1.95 -3.46 114.38 114.20 2aw4 h ARG 41 Ca -0.51 -0.19 0.33 0.00 -0.50 0.00 0.00 59.98 59.11 2aw4 h ARG 41 Cb 1.19 0.03 -0.08 0.00 0.00 0.00 0.00 29.97 31.11 2aw4 h ARG 41 CO 0.56 0.79 -0.44 -0.11 0.00 0.00 0.00 179.97 180.77 2aw4 n LEU 42 N -3.89 0.00 0.00 3.04 7.94 -1.26 -4.97 117.00 117.86 2aw4 n LEU 42 Ca -0.02 1.30 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2aw4 n LEU 42 Cb 0.61 -3.66 0.00 0.00 0.53 0.00 0.00 43.42 40.90 2aw4 n LEU 42 CO 0.45 -2.59 0.00 1.07 -1.11 0.00 0.00 177.39 175.20 2aw4 n THR 43 N -3.83 0.00 0.00 1.96 5.66 -1.26 -5.09 114.28 111.72 2aw4 n THR 43 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2aw4 n THR 43 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2aw4 n THR 43 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2aw4 n VAL 44 N -0.19 0.00 -2.12 1.08 0.24 -1.26 -4.23 118.33 111.85 2aw4 n VAL 44 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 2aw4 n VAL 44 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2aw4 n VAL 44 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2aw4 s SER 45 N -0.38 6.47 0.00 -1.34 0.01 -1.26 -4.84 113.70 112.37 2aw4 s SER 45 Ca 0.00 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.86 2aw4 s SER 45 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2aw4 s SER 45 CO 0.00 -0.73 0.17 1.17 0.41 0.00 0.00 173.24 174.26