#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s LYS 2 N 0.00 4.17 0.37 1.61 -0.14 -1.26 -5.09 119.74 119.41 2qa4 s LYS 2 Ca 0.00 1.10 0.08 0.00 -1.36 0.00 0.00 55.97 55.79 2qa4 s LYS 2 Cb 0.00 -2.17 -0.07 0.00 -1.68 0.00 0.00 37.83 33.91 2qa4 s LYS 2 CO 0.00 -0.08 -0.03 -1.59 -0.76 0.00 0.00 175.35 172.89 2qa4 s LYS 3 N -3.33 1.92 0.38 1.68 -2.85 -1.26 -5.16 119.74 111.12 2qa4 s LYS 3 Ca 0.62 -1.97 0.07 0.00 -1.00 0.00 0.00 55.97 53.69 2qa4 s LYS 3 Cb -0.09 -1.72 -0.01 0.00 -2.06 0.00 0.00 37.83 33.95 2qa4 s LYS 3 CO 0.16 0.06 0.46 -1.54 0.10 0.00 0.00 175.35 174.59 2qa4 s SER 4 N -3.68 5.57 0.41 0.03 1.04 -1.26 -4.97 113.70 110.85 2qa4 s SER 4 Ca 0.34 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.42 2qa4 s SER 4 Cb 0.05 -0.86 0.87 0.00 0.10 0.00 0.00 66.02 66.18 2qa4 s SER 4 CO 0.18 -0.58 2.05 0.50 0.98 0.00 0.00 173.24 176.37 2qa4 h LYS 5 N 0.89 0.53 0.47 4.02 3.64 -2.02 -1.28 116.57 122.83 2qa4 h LYS 5 Ca -0.43 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2qa4 h LYS 5 Cb 1.27 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2qa4 h LYS 5 CO 0.52 0.35 -0.23 0.00 -2.27 0.00 0.00 179.45 177.83 2qa4 h ALA 6 N 1.74 -0.63 -0.88 5.00 0.00 -2.00 -3.08 119.26 119.40 2qa4 h ALA 6 Ca 0.16 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2qa4 h ALA 6 Cb -0.01 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2qa4 h ALA 6 CO -0.04 -0.64 0.46 1.15 0.00 0.00 0.00 179.25 180.18 2qa4 h THR 7 N -1.06 0.70 0.00 0.00 2.02 -1.92 0.28 112.91 112.92 2qa4 h THR 7 Ca -0.06 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2qa4 h THR 7 Cb 0.57 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2qa4 h THR 7 CO 0.11 0.11 -0.03 0.50 0.37 0.00 0.00 175.52 176.58 2qa4 h LYS 8 N 0.63 0.00 0.16 6.66 3.64 -1.26 0.10 116.57 126.50 2qa4 h LYS 8 Ca 0.49 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.60 2qa4 h LYS 8 Cb 0.73 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2qa4 h LYS 8 CO -0.38 0.03 -1.30 0.87 -2.27 0.00 0.00 179.45 176.40 2qa4 h LYS 9 N 0.00 0.34 -0.58 1.90 1.57 -0.39 -3.08 116.57 116.33 2qa4 h LYS 9 Ca -0.00 -0.57 0.04 0.00 -1.87 0.00 0.00 60.65 58.24 2qa4 h LYS 9 Cb 0.10 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2qa4 h LYS 9 CO 0.00 1.27 0.33 0.00 -0.57 0.00 0.00 179.45 180.49 2qa4 h ARG 10 N -0.19 0.63 -0.88 3.15 3.08 -0.49 -0.02 114.38 119.67 2qa4 h ARG 10 Ca -0.26 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 2qa4 h ARG 10 Cb 1.85 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.71 2qa4 h ARG 10 CO 0.14 0.42 0.54 -0.07 -1.07 0.00 0.00 179.97 179.93 2qa4 h LEU 11 N 0.65 1.06 -0.34 3.04 3.38 -0.95 -0.43 115.31 121.71 2qa4 h LEU 11 Ca 0.24 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2qa4 h LEU 11 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2qa4 h LEU 11 CO -0.13 0.81 0.05 0.00 0.09 0.00 0.00 178.44 179.26 2qa4 h ALA 12 N 1.38 0.45 -0.12 1.53 0.00 -1.12 -1.43 119.26 119.95 2qa4 h ALA 12 Ca 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qa4 h ALA 12 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qa4 h ALA 12 CO -0.06 0.16 0.06 -0.22 0.00 0.00 0.00 179.25 179.19 2qa4 h LYS 13 N 0.40 0.17 -0.40 0.00 3.64 -0.71 -1.17 116.57 118.50 2qa4 h LYS 13 Ca 0.10 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 2qa4 h LYS 13 Cb 0.37 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2qa4 h LYS 13 CO 0.01 0.23 0.47 -0.07 -2.27 0.00 0.00 179.45 177.82 2qa4 h LEU 14 N 0.07 0.00 0.01 5.20 3.38 -0.84 0.28 115.31 123.41 2qa4 h LEU 14 Ca 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 2qa4 h LEU 14 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2qa4 h LEU 14 CO -0.01 0.00 -1.65 -0.78 0.09 0.00 0.00 178.44 176.09 2qa4 h ASP 15 N 0.00 0.03 0.02 -0.43 3.58 -0.20 -3.29 116.42 116.13 2qa4 h ASP 15 Ca 0.19 -0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.39 2qa4 h ASP 15 Cb 1.13 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2qa4 h ASP 15 CO -0.00 1.05 -0.72 -1.13 -2.88 0.00 0.00 179.24 175.56 2qa4 h ASN 16 N 0.00 0.73 0.38 2.28 -0.00 0.62 -2.53 115.58 117.06 2qa4 h ASN 16 Ca -0.27 -0.46 -0.01 0.00 -0.00 0.00 0.00 56.30 55.57 2qa4 h ASN 16 Cb 1.99 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 40.10 2qa4 h ASN 16 CO 0.09 1.22 -0.04 1.56 -0.00 0.00 0.00 177.43 180.26 2qa4 h GLN 17 N 0.43 0.00 -0.99 6.67 4.20 -1.30 -2.44 115.11 121.68 2qa4 h GLN 17 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qa4 h GLN 17 Cb 1.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 2qa4 h GLN 17 CO 0.14 0.04 0.00 -1.71 -0.67 0.00 0.00 178.83 176.63 2qa4 n ASN 18 N -3.31 1.20 -4.88 1.46 4.05 -0.95 -4.82 115.26 108.00 2qa4 n ASN 18 Ca -0.02 -2.03 -0.22 0.00 0.45 0.00 0.00 54.58 52.77 2qa4 n ASN 18 Cb 0.18 -0.51 -0.03 0.00 1.23 0.00 0.00 39.78 40.65 2qa4 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2qa4 s SER 19 N 0.00 5.80 0.57 1.20 1.04 -0.92 -4.87 113.70 116.52 2qa4 s SER 19 Ca 0.02 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 2qa4 s SER 19 Cb 0.01 -1.56 -0.06 0.00 0.10 0.00 0.00 66.02 64.51 2qa4 s SER 19 CO 0.00 -0.05 1.01 -0.60 0.98 0.00 0.00 173.24 174.58 2qa4 s ARG 20 N -3.89 3.75 -0.01 4.02 3.52 -1.26 -5.00 118.95 120.08 2qa4 s ARG 20 Ca 0.33 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.51 2qa4 s ARG 20 Cb -0.08 -2.10 -0.06 0.00 -1.56 0.00 0.00 34.95 31.14 2qa4 s ARG 20 CO 0.26 -0.44 1.57 0.08 -0.81 0.00 0.00 175.30 175.96 2qa4 s VAL 21 N -2.87 3.49 0.13 7.11 1.01 -1.26 -4.92 120.40 123.09 2qa4 s VAL 21 Ca 0.57 0.78 -0.34 0.00 0.00 0.00 0.00 61.98 62.99 2qa4 s VAL 21 Cb -0.11 -3.50 -0.17 0.00 0.00 0.00 0.00 36.38 32.60 2qa4 s VAL 21 CO 0.42 -0.03 1.07 -0.81 0.00 0.00 0.00 175.10 175.74 2qa4 n PRO 22 N 6.17 0.73 0.23 2.72 -0.04 -1.26 -4.84 135.00 138.71 2qa4 n PRO 22 Ca 0.16 0.26 0.18 0.00 -0.04 0.00 0.00 63.50 64.06 2qa4 n PRO 22 Cb 0.42 -1.70 0.83 0.00 -0.04 0.00 0.00 33.50 33.02 2qa4 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qa4 h ALA 23 N 3.05 1.65 0.10 0.55 0.00 -2.02 -1.22 119.26 121.37 2qa4 h ALA 23 Ca -0.43 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 2qa4 h ALA 23 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qa4 h ALA 23 CO 0.68 -0.39 -1.16 0.11 0.00 0.00 0.00 179.25 178.48 2qa4 h TRP 24 N 0.00 0.49 0.00 0.00 5.08 -2.02 -3.12 115.95 116.38 2qa4 h TRP 24 Ca 0.08 -0.33 -0.02 0.00 1.08 0.00 0.00 58.89 59.70 2qa4 h TRP 24 Cb 0.69 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 26.82 2qa4 h TRP 24 CO 0.00 1.23 -0.07 0.28 -1.28 0.00 0.00 178.44 178.60 2qa4 h VAL 25 N 0.10 0.63 0.33 0.12 2.07 -1.57 -2.15 116.25 115.78 2qa4 h VAL 25 Ca -0.12 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2qa4 h VAL 25 Cb 1.87 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 2qa4 h VAL 25 CO 0.19 0.07 -0.37 0.24 0.02 0.00 0.00 177.57 177.73 2qa4 h MET 26 N 0.00 -0.71 -0.13 1.57 2.86 -1.50 -1.48 114.93 115.55 2qa4 h MET 26 Ca -0.00 0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2qa4 h MET 26 Cb 0.18 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2qa4 h MET 26 CO 0.01 -0.47 -0.26 -0.07 1.06 0.00 0.00 176.91 177.18 2qa4 h LEU 27 N -0.73 0.23 -0.49 1.22 3.38 -1.50 -1.01 115.31 116.41 2qa4 h LEU 27 Ca -0.02 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 2qa4 h LEU 27 Cb 0.67 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2qa4 h LEU 27 CO -0.09 0.50 -0.55 0.50 0.09 0.00 0.00 178.44 178.90 2qa4 h LYS 28 N 0.21 0.59 -0.00 1.13 3.64 -1.20 -3.04 116.57 117.90 2qa4 h LYS 28 Ca 0.03 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2qa4 h LYS 28 Cb 0.58 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2qa4 h LYS 28 CO 0.04 0.98 -0.43 0.25 -2.27 0.00 0.00 179.45 178.02 2qa4 n THR 29 N -3.96 0.00 -2.53 1.00 -2.24 -0.58 -4.91 114.28 101.07 2qa4 n THR 29 Ca -0.03 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 2qa4 n THR 29 Cb 0.61 0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2qa4 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qa4 n ASP 30 N -1.24 -5.90 -0.52 3.42 8.00 -0.47 -5.09 116.55 114.74 2qa4 n ASP 30 Ca 0.08 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2qa4 n ASP 30 Cb 0.34 -4.89 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 2qa4 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qa4 n ARG 31 N -3.21 -1.48 0.00 -1.24 1.74 -0.67 -5.02 116.66 106.77 2qa4 n ARG 31 Ca -0.22 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2qa4 n ARG 31 Cb 0.67 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 2qa4 n ARG 31 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qa4 n ARG 35 N -0.62 0.00 -3.14 5.56 0.63 -1.26 -5.08 116.66 112.75 2qa4 n ARG 35 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 2qa4 n ARG 35 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2qa4 n ARG 35 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2qa4 s ASN 36 N 0.00 6.23 0.00 6.15 3.84 -1.26 -4.94 114.94 124.97 2qa4 s ASN 36 Ca 0.00 -0.85 0.19 0.00 0.21 0.00 0.00 52.86 52.41 2qa4 s ASN 36 Cb 0.00 -2.30 1.13 0.00 -0.55 0.00 0.00 41.25 39.53 2qa4 s ASN 36 CO 0.00 -0.90 1.57 1.41 -2.79 0.00 0.00 177.10 176.39 2qa4 n HIS 37 N 6.24 0.00 -2.24 0.43 8.25 -1.26 -3.71 115.22 122.92 2qa4 n HIS 37 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 2qa4 n HIS 37 Cb 0.46 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.59 2qa4 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qa4 n LYS 38 N -0.90 3.20 -2.61 -0.41 5.02 -1.26 -5.04 118.16 116.15 2qa4 n LYS 38 Ca 0.14 -4.08 -0.43 0.00 -2.02 0.00 0.00 58.31 51.93 2qa4 n LYS 38 Cb 0.07 -2.13 -0.02 0.00 -0.02 0.00 0.00 35.03 32.93 2qa4 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qa4 s ARG 39 N -3.61 3.80 -0.40 1.97 0.52 -1.24 -4.71 118.95 115.29 2qa4 s ARG 39 Ca 0.46 0.68 -0.10 0.00 -0.52 0.00 0.00 55.73 56.25 2qa4 s ARG 39 Cb 0.40 -3.87 0.06 0.00 0.52 0.00 0.00 34.95 32.05 2qa4 s ARG 39 CO -0.01 -1.27 0.23 0.50 0.02 0.00 0.00 175.30 174.77 2qa4 s ARG 40 N 4.27 2.68 0.57 3.54 3.52 -1.26 -5.05 118.95 127.22 2qa4 s ARG 40 Ca 0.47 -1.30 -0.16 0.00 -0.13 0.00 0.00 55.73 54.61 2qa4 s ARG 40 Cb -0.08 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 2qa4 s ARG 40 CO 0.28 -0.84 1.04 -1.58 -0.81 0.00 0.00 175.30 173.38 2qa4 s HIS 41 N 1.47 3.14 -0.01 5.12 5.65 -1.26 -4.95 115.29 124.45 2qa4 s HIS 41 Ca 0.02 1.49 -0.23 0.00 0.25 0.00 0.00 55.06 56.60 2qa4 s HIS 41 Cb -0.21 -2.94 -0.19 0.00 -1.18 0.00 0.00 32.58 28.06 2qa4 s HIS 41 CO 0.04 -0.88 1.21 0.11 -0.65 0.00 0.00 174.74 174.56 2qa4 h TRP 42 N 0.57 0.29 0.15 3.88 5.08 -1.99 -2.80 115.95 121.13 2qa4 h TRP 42 Ca -0.47 -0.11 -0.01 0.00 1.08 0.00 0.00 58.89 59.38 2qa4 h TRP 42 Cb 1.21 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 2qa4 h TRP 42 CO 0.60 0.78 -0.07 -0.09 -1.28 0.00 0.00 178.44 178.38 2qa4 h ARG 43 N -0.28 -0.19 -0.81 0.12 2.43 -2.05 -3.38 114.38 110.23 2qa4 h ARG 43 Ca -0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2qa4 h ARG 43 Cb 0.78 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 2qa4 h ARG 43 CO 0.04 0.06 0.54 0.00 -1.51 0.00 0.00 179.97 179.10 2qa4 h ARG 44 N -1.01 1.07 -6.36 0.20 2.47 -1.99 -3.44 114.38 105.32 2qa4 h ARG 44 Ca -0.02 -0.07 -0.44 0.00 -1.26 0.00 0.00 59.98 58.19 2qa4 h ARG 44 Cb 0.34 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2qa4 h ARG 44 CO 0.03 0.71 -0.30 -0.80 0.56 0.00 0.00 179.97 180.17 2qa4 s ASN 45 N -5.94 5.53 -0.04 7.04 0.01 -1.05 -5.00 114.94 115.48 2qa4 s ASN 45 Ca -0.13 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 2qa4 s ASN 45 Cb 0.16 -0.70 0.02 0.00 0.41 0.00 0.00 41.25 41.14 2qa4 s ASN 45 CO 0.79 -0.69 -0.02 -0.62 -1.51 0.00 0.00 177.10 175.05 2qa4 s ASP 46 N -4.27 0.81 0.91 -1.22 -1.08 -1.26 -4.68 116.67 105.88 2qa4 s ASP 46 Ca 0.52 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 2qa4 s ASP 46 Cb -0.08 -0.35 0.00 0.00 -1.46 0.00 0.00 42.92 41.02 2qa4 s ASP 46 CO 0.31 -0.09 0.00 0.35 0.52 0.00 0.00 175.17 176.26 2qa4 n THR 47 N 4.21 0.00 -2.53 1.71 -2.24 -1.26 -5.08 114.28 109.10 2qa4 n THR 47 Ca -0.23 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.31 2qa4 n THR 47 Cb 0.51 -1.94 0.04 0.00 -2.10 0.00 0.00 70.33 66.84 2qa4 n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qa4 s ASP 48 N -1.00 5.27 0.00 3.42 -0.00 -1.26 -5.29 116.67 117.81 2qa4 s ASP 48 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 52.55 52.82 2qa4 s ASP 48 Cb 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 42.92 41.77 2qa4 s ASP 48 CO 0.00 -1.20 0.00 -0.62 -0.00 0.00 0.00 175.17 173.35