#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s TRP 2 N 0.00 3.93 0.01 0.66 1.48 -1.26 -5.06 118.94 118.71 2qa4 s TRP 2 Ca 0.00 1.77 -0.20 0.00 -1.06 0.00 0.00 56.10 56.61 2qa4 s TRP 2 Cb 0.00 -2.87 -0.06 0.00 -1.16 0.00 0.00 33.47 29.38 2qa4 s TRP 2 CO 0.00 0.47 0.56 -0.51 -4.06 0.00 0.00 176.95 173.42 2qa4 s ASP 3 N -1.19 6.97 -0.02 -2.66 1.01 -1.26 -5.02 116.67 114.50 2qa4 s ASP 3 Ca 0.39 1.16 -0.14 0.00 0.71 0.00 0.00 52.55 54.67 2qa4 s ASP 3 Cb -0.24 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 2qa4 s ASP 3 CO 0.29 0.17 0.70 0.58 0.21 0.00 0.00 175.17 177.11 2qa4 h VAL 4 N 3.95 0.00 -3.25 -1.27 2.07 -1.97 -3.40 116.25 112.38 2qa4 h VAL 4 Ca -0.47 -0.38 -0.57 0.00 0.82 0.00 0.00 66.70 66.10 2qa4 h VAL 4 Cb 1.20 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2qa4 h VAL 4 CO 0.67 0.00 0.52 -0.63 0.02 0.00 0.00 177.57 178.16 2qa4 s ILE 5 N -3.27 4.81 -0.22 4.57 1.01 -1.26 -2.36 121.20 124.49 2qa4 s ILE 5 Ca -0.07 1.85 -0.20 0.00 0.00 0.00 0.00 60.65 62.22 2qa4 s ILE 5 Cb 0.01 -4.23 -0.18 0.00 0.01 0.00 0.00 42.46 38.06 2qa4 s ILE 5 CO 0.22 -0.02 0.14 0.29 0.00 0.00 0.00 174.94 175.57 2qa4 n LYS 6 N 5.34 0.57 -3.63 2.79 5.02 0.07 -4.97 118.16 123.35 2qa4 n LYS 6 Ca 0.07 0.53 -0.03 0.00 -2.02 0.00 0.00 58.31 56.87 2qa4 n LYS 6 Cb 0.48 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 2qa4 n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2qa4 s HIS 7 N -2.38 -0.05 0.01 2.13 -3.43 -1.12 -5.01 115.29 105.44 2qa4 s HIS 7 Ca -0.30 0.03 -0.30 0.00 -0.80 0.00 0.00 55.06 53.69 2qa4 s HIS 7 Cb 0.07 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.68 2qa4 s HIS 7 CO 0.58 -0.09 1.22 -2.14 -2.00 0.00 0.00 174.74 172.32 2qa4 s PRO 8 N -2.18 4.39 -0.50 -0.38 0.02 -1.26 -0.32 135.00 134.77 2qa4 s PRO 8 Ca 0.11 1.76 -0.27 0.00 0.02 0.00 0.00 61.00 62.62 2qa4 s PRO 8 Cb -0.01 -3.44 0.03 0.00 0.02 0.00 0.00 34.50 31.10 2qa4 s PRO 8 CO -0.03 -0.36 1.03 -1.58 -0.33 0.00 0.00 177.00 175.73 2qa4 s HIS 9 N 1.61 2.82 -0.38 6.54 2.46 -0.62 -4.87 115.29 122.85 2qa4 s HIS 9 Ca 0.58 0.44 -0.08 0.00 0.47 0.00 0.00 55.06 56.48 2qa4 s HIS 9 Cb -0.28 -4.22 0.06 0.00 -0.13 0.00 0.00 32.58 28.02 2qa4 s HIS 9 CO 0.26 -1.26 0.19 0.54 -2.47 0.00 0.00 174.74 172.01 2qa4 s VAL 10 N 4.18 4.00 0.15 0.89 0.11 -1.26 -4.60 120.40 123.87 2qa4 s VAL 10 Ca 0.41 -1.31 -0.08 0.00 -2.93 0.00 0.00 61.98 58.06 2qa4 s VAL 10 Cb -0.09 -3.39 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 2qa4 s VAL 10 CO 0.27 -0.38 0.25 0.42 -3.33 0.00 0.00 175.10 172.34 2qa4 s THR 11 N 1.40 0.08 0.26 5.04 -4.23 -1.26 -5.00 115.64 111.93 2qa4 s THR 11 Ca 0.02 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 2qa4 s THR 11 Cb -0.21 -1.78 0.24 0.00 1.34 0.00 0.00 72.50 72.09 2qa4 s THR 11 CO 0.02 -0.37 1.73 -0.33 -0.54 0.00 0.00 174.62 175.13 2qa4 h GLU 12 N 2.60 0.45 -0.28 3.99 3.07 -2.00 0.39 114.58 122.80 2qa4 h GLU 12 Ca -0.32 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.44 2qa4 h GLU 12 Cb 1.22 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 2qa4 h GLU 12 CO 0.50 0.30 -0.11 -0.22 -1.40 0.00 0.00 179.01 178.09 2qa4 h LYS 13 N 0.47 0.57 -1.00 2.33 3.64 -1.99 -2.75 116.57 117.83 2qa4 h LYS 13 Ca 0.45 -0.24 0.11 0.00 -1.27 0.00 0.00 60.65 59.71 2qa4 h LYS 13 Cb 0.72 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.44 2qa4 h LYS 13 CO -0.43 0.79 0.63 0.00 -2.27 0.00 0.00 179.45 178.18 2qa4 h ALA 14 N 0.76 1.51 0.06 5.00 0.00 -1.31 -1.50 119.26 123.78 2qa4 h ALA 14 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qa4 h ALA 14 Cb 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qa4 h ALA 14 CO 0.04 0.25 -0.03 0.52 0.00 0.00 0.00 179.25 180.02 2qa4 h MET 15 N 1.01 -0.08 -0.29 0.00 2.86 -1.00 -2.18 114.93 115.25 2qa4 h MET 15 Ca 0.49 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.19 2qa4 h MET 15 Cb 0.46 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 2qa4 h MET 15 CO -0.25 0.00 -0.50 -0.91 1.06 0.00 0.00 176.91 176.31 2qa4 h ASN 16 N -0.14 -1.62 -0.98 1.22 2.35 -0.99 0.37 115.58 115.80 2qa4 h ASN 16 Ca -0.01 0.22 0.11 0.00 -0.55 0.00 0.00 56.30 56.07 2qa4 h ASN 16 Cb 0.12 0.67 -0.08 0.00 0.05 0.00 0.00 38.32 39.08 2qa4 h ASN 16 CO 0.01 -0.42 0.62 0.44 -1.65 0.00 0.00 177.43 176.43 2qa4 h ASP 17 N -0.44 0.91 -0.10 5.81 5.19 -1.45 -1.81 116.42 124.52 2qa4 h ASP 17 Ca 0.08 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2qa4 h ASP 17 Cb 0.62 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 2qa4 h ASP 17 CO -0.52 0.51 -0.01 -0.03 -3.12 0.00 0.00 179.24 176.07 2qa4 h MET 18 N 0.99 0.18 0.10 3.56 4.05 -0.41 0.26 114.93 123.67 2qa4 h MET 18 Ca 0.47 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.82 2qa4 h MET 18 Cb 0.43 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 2qa4 h MET 18 CO -0.23 0.45 -0.05 -0.44 0.23 0.00 0.00 176.91 176.87 2qa4 h ASP 19 N -0.10 -0.12 0.35 1.39 3.32 0.09 -2.26 116.42 119.09 2qa4 h ASP 19 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2qa4 h ASP 19 Cb 0.37 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2qa4 h ASP 19 CO 0.01 -0.07 -0.00 0.49 -1.72 0.00 0.00 179.24 177.94 2qa4 n PHE 20 N -2.43 0.00 0.00 4.55 0.99 -0.72 -4.12 117.46 115.72 2qa4 n PHE 20 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2qa4 n PHE 20 Cb 0.05 -0.18 0.00 0.00 -1.00 0.00 0.00 39.48 38.36 2qa4 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2qa4 n GLN 21 N -1.17 2.58 -2.85 -1.08 6.02 -0.02 -5.04 117.38 115.81 2qa4 n GLN 21 Ca 0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2qa4 n GLN 21 Cb 0.19 -0.26 0.04 0.00 1.02 0.00 0.00 30.24 31.23 2qa4 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qa4 n ASN 22 N -0.33 -2.95 -4.48 1.08 5.15 -0.58 -4.90 115.26 108.24 2qa4 n ASN 22 Ca 0.00 -0.29 -0.32 0.00 -0.60 0.00 0.00 54.58 53.37 2qa4 n ASN 22 Cb 0.00 -2.74 -0.13 0.00 -0.53 0.00 0.00 39.78 36.39 2qa4 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qa4 s LYS 23 N -5.09 2.42 -0.17 1.20 1.02 -1.05 -2.53 119.74 115.53 2qa4 s LYS 23 Ca 0.13 -0.76 -0.00 0.00 0.02 0.00 0.00 55.97 55.36 2qa4 s LYS 23 Cb -0.06 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 2qa4 s LYS 23 CO 0.36 0.60 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.73 2qa4 s LEU 24 N -0.95 2.42 -0.07 3.17 1.43 0.66 -3.13 118.68 122.21 2qa4 s LEU 24 Ca 0.13 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 2qa4 s LEU 24 Cb -0.11 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2qa4 s LEU 24 CO 0.02 0.04 0.21 -1.10 0.23 0.00 0.00 176.35 175.75 2qa4 s GLN 25 N 1.06 3.55 0.37 1.70 -0.21 -1.26 -1.10 119.66 123.77 2qa4 s GLN 25 Ca -0.01 -0.03 0.04 0.00 0.02 0.00 0.00 55.36 55.38 2qa4 s GLN 25 Cb -0.14 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 2qa4 s GLN 25 CO -0.04 0.74 0.11 -0.06 -2.12 0.00 0.00 175.29 173.92 2qa4 s PHE 26 N -1.09 1.80 -0.21 0.91 0.40 0.80 -1.58 117.98 119.00 2qa4 s PHE 26 Ca 0.19 -1.20 0.02 0.00 -0.60 0.00 0.00 56.93 55.34 2qa4 s PHE 26 Cb -0.13 -1.15 0.04 0.00 0.51 0.00 0.00 43.02 42.28 2qa4 s PHE 26 CO 0.08 -0.24 -0.16 0.00 0.70 0.00 0.00 175.22 175.61 2qa4 s ALA 27 N -3.30 2.40 0.15 5.36 0.00 0.56 -2.63 121.76 124.31 2qa4 s ALA 27 Ca 0.29 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.87 2qa4 s ALA 27 Cb 0.05 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2qa4 s ALA 27 CO 0.15 -0.72 -0.12 0.14 0.00 0.00 0.00 175.76 175.21 2qa4 s VAL 28 N 1.22 1.32 0.33 0.00 -7.23 -0.60 -0.75 120.40 114.70 2qa4 s VAL 28 Ca -0.01 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 2qa4 s VAL 28 Cb -0.16 -1.82 -0.11 0.00 0.56 0.00 0.00 36.38 34.85 2qa4 s VAL 28 CO -0.09 -0.65 1.56 -0.62 -0.31 0.00 0.00 175.10 174.99 2qa4 s ASP 29 N -3.05 6.33 0.00 4.85 -1.08 -0.99 -2.49 116.67 120.24 2qa4 s ASP 29 Ca 0.16 3.02 0.05 0.00 -0.52 0.00 0.00 52.55 55.27 2qa4 s ASP 29 Cb 0.00 -2.65 0.25 0.00 -1.46 0.00 0.00 42.92 39.06 2qa4 s ASP 29 CO 0.02 -0.92 1.09 -0.90 0.52 0.00 0.00 175.17 174.99 2qa4 n ASP 30 N 1.43 0.00 0.01 -0.34 5.75 -1.26 -1.91 116.55 120.23 2qa4 n ASP 30 Ca 0.05 0.35 0.11 0.00 -0.01 0.00 0.00 54.79 55.30 2qa4 n ASP 30 Cb 0.38 -0.39 -0.08 0.00 -1.03 0.00 0.00 41.12 39.99 2qa4 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qa4 n ARG 31 N -1.39 0.40 -1.93 0.11 1.74 -1.26 -4.89 116.66 109.43 2qa4 n ARG 31 Ca 0.02 -0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.61 2qa4 n ARG 31 Cb 0.05 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 2qa4 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qa4 s ALA 32 N -3.29 3.28 0.84 7.54 0.00 -0.80 -5.00 121.76 124.32 2qa4 s ALA 32 Ca -0.00 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 2qa4 s ALA 32 Cb 0.14 -3.88 0.09 0.00 0.00 0.00 0.00 23.12 19.48 2qa4 s ALA 32 CO 0.86 -1.95 1.11 -1.54 0.00 0.00 0.00 175.76 174.23 2qa4 s SER 33 N 4.85 4.14 0.15 0.00 1.04 -1.26 -4.79 113.70 117.82 2qa4 s SER 33 Ca 0.80 1.19 -0.20 0.00 0.48 0.00 0.00 55.95 58.22 2qa4 s SER 33 Cb -0.31 -1.87 0.03 0.00 0.10 0.00 0.00 66.02 63.97 2qa4 s SER 33 CO 0.32 -2.18 1.67 0.11 0.98 0.00 0.00 173.24 174.15 2qa4 h LYS 34 N -1.24 -0.08 -0.44 4.02 1.57 -1.94 -0.20 116.57 118.27 2qa4 h LYS 34 Ca -0.48 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2qa4 h LYS 34 Cb 1.29 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 2qa4 h LYS 34 CO 0.60 -0.05 -0.08 0.78 -0.57 0.00 0.00 179.45 180.13 2qa4 h GLY 35 N -0.08 0.35 0.99 3.86 0.00 -1.96 0.02 103.07 106.25 2qa4 h GLY 35 Ca 0.14 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2qa4 h GLY 35 CO -0.31 -0.15 0.30 0.83 0.00 0.00 0.00 176.54 177.21 2qa4 h GLU 36 N 0.03 0.76 -0.67 4.80 5.08 -1.78 -1.69 114.58 121.11 2qa4 h GLU 36 Ca 0.21 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2qa4 h GLU 36 Cb 0.32 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2qa4 h GLU 36 CO -0.42 0.59 0.34 0.28 -1.00 0.00 0.00 179.01 178.79 2qa4 h VAL 37 N 0.73 0.89 0.04 3.13 2.07 -0.20 -2.52 116.25 120.40 2qa4 h VAL 37 Ca 0.19 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2qa4 h VAL 37 Cb 0.04 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2qa4 h VAL 37 CO -0.03 0.11 -0.19 0.00 0.02 0.00 0.00 177.57 177.48 2qa4 h ALA 38 N 1.39 -0.72 -0.19 1.67 0.00 -0.11 -2.44 119.26 118.86 2qa4 h ALA 38 Ca 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2qa4 h ALA 38 Cb 0.29 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2qa4 h ALA 38 CO -0.23 -0.77 -0.25 -0.44 0.00 0.00 0.00 179.25 177.56 2qa4 h ASP 39 N -0.28 -0.85 -0.65 0.00 3.32 -1.24 -0.03 116.42 116.70 2qa4 h ASP 39 Ca -0.00 0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.35 2qa4 h ASP 39 Cb 0.28 0.35 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2qa4 h ASP 39 CO -0.10 -0.18 0.77 0.00 -1.72 0.00 0.00 179.24 178.00 2qa4 h ALA 40 N -0.73 2.44 0.03 3.45 0.00 -1.43 0.20 119.26 123.21 2qa4 h ALA 40 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2qa4 h ALA 40 Cb 0.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qa4 h ALA 40 CO -0.27 -1.10 -0.28 0.28 0.00 0.00 0.00 179.25 177.87 2qa4 h VAL 41 N 0.00 1.65 -0.66 0.00 2.07 -0.52 -2.17 116.25 116.63 2qa4 h VAL 41 Ca 0.31 -2.37 0.02 0.00 0.82 0.00 0.00 66.70 65.48 2qa4 h VAL 41 Cb 1.84 3.25 -0.04 0.00 -1.52 0.00 0.00 31.29 34.82 2qa4 h VAL 41 CO -0.00 0.60 0.44 -0.33 0.02 0.00 0.00 177.57 178.30 2qa4 h GLU 42 N -0.88 0.82 -0.10 1.57 5.08 0.11 -1.48 114.58 119.70 2qa4 h GLU 42 Ca -0.06 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 2qa4 h GLU 42 Cb 1.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2qa4 h GLU 42 CO 0.01 0.54 -0.80 0.93 -1.00 0.00 0.00 179.01 178.69 2qa4 h GLU 43 N 0.84 0.61 0.02 2.33 5.08 -1.11 -0.37 114.58 121.98 2qa4 h GLU 43 Ca 0.25 -0.52 -0.21 0.00 -1.00 0.00 0.00 59.36 57.88 2qa4 h GLU 43 Cb -0.01 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2qa4 h GLU 43 CO -0.06 1.14 -0.98 1.96 -1.00 0.00 0.00 179.01 180.07 2qa4 h GLN 44 N 0.40 0.07 -0.01 2.33 1.08 -1.00 -3.37 115.11 114.62 2qa4 h GLN 44 Ca -0.05 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2qa4 h GLN 44 Cb 1.41 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 2qa4 h GLN 44 CO 0.15 0.99 0.00 0.66 -0.95 0.00 0.00 178.83 179.68 2qa4 n TYR 45 N -3.48 0.01 -3.22 2.96 4.02 -0.59 -5.06 117.16 111.80 2qa4 n TYR 45 Ca -0.02 -0.17 -0.12 0.00 -0.01 0.00 0.00 57.90 57.58 2qa4 n TYR 45 Cb 0.90 -0.02 0.01 0.00 -0.02 0.00 0.00 39.34 40.21 2qa4 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2qa4 n ASP 46 N -0.11 -6.92 -1.47 7.72 -0.08 -0.15 -5.04 116.55 110.49 2qa4 n ASP 46 Ca 0.01 -0.12 -0.04 0.00 -1.51 0.00 0.00 54.79 53.13 2qa4 n ASP 46 Cb 0.10 -4.09 -0.01 0.00 2.34 0.00 0.00 41.12 39.46 2qa4 n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2qa4 n VAL 47 N -1.37 0.00 -4.38 5.18 0.24 -1.20 -5.07 118.33 111.74 2qa4 n VAL 47 Ca -0.05 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.34 61.48 2qa4 n VAL 47 Cb 0.56 0.26 -0.16 0.00 -1.47 0.00 0.00 33.84 33.03 2qa4 n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2qa4 s THR 48 N -2.48 2.43 -0.20 3.34 2.01 -1.26 -4.73 115.64 114.75 2qa4 s THR 48 Ca 0.07 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 2qa4 s THR 48 Cb -0.00 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2qa4 s THR 48 CO 0.05 0.52 0.35 -0.69 -0.69 0.00 0.00 174.62 174.16 2qa4 s VAL 49 N 1.02 5.24 0.00 3.82 1.01 -1.26 -0.97 120.40 129.26 2qa4 s VAL 49 Ca -0.02 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2qa4 s VAL 49 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2qa4 s VAL 49 CO -0.04 0.29 0.00 -0.62 0.00 0.00 0.00 175.10 174.72 2qa4 n GLU 50 N 4.28 0.00 -4.02 2.72 -0.58 -0.29 -4.89 120.64 117.87 2qa4 n GLU 50 Ca -0.10 0.33 -0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2qa4 n GLU 50 Cb 0.51 -0.83 -0.12 0.00 -0.57 0.00 0.00 31.44 30.44 2qa4 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2qa4 s GLN 51 N -0.97 0.35 -0.06 3.49 0.74 -1.22 -5.00 119.66 116.98 2qa4 s GLN 51 Ca 0.00 -0.49 0.04 0.00 0.05 0.00 0.00 55.36 54.95 2qa4 s GLN 51 Cb 0.00 -0.12 0.00 0.00 1.10 0.00 0.00 33.01 33.99 2qa4 s GLN 51 CO 0.00 0.02 -0.17 0.08 -0.55 0.00 0.00 175.29 174.67 2qa4 s VAL 52 N -0.99 1.46 -0.13 1.34 1.01 -1.26 -1.07 120.40 120.76 2qa4 s VAL 52 Ca -0.09 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2qa4 s VAL 52 Cb -0.07 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2qa4 s VAL 52 CO -0.00 0.42 -0.22 0.20 0.00 0.00 0.00 175.10 175.50 2qa4 s ASN 53 N 0.27 3.13 0.35 3.32 0.01 0.12 -4.97 114.94 117.17 2qa4 s ASN 53 Ca -0.09 -0.59 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 2qa4 s ASN 53 Cb -0.14 -1.44 -0.04 0.00 0.41 0.00 0.00 41.25 40.04 2qa4 s ASN 53 CO 0.04 0.10 0.20 0.42 -1.51 0.00 0.00 177.10 176.35 2qa4 s THR 54 N 0.71 3.01 -0.29 1.60 -4.23 -1.26 0.07 115.64 115.25 2qa4 s THR 54 Ca -0.10 -1.59 -0.19 0.00 -1.18 0.00 0.00 61.69 58.63 2qa4 s THR 54 Cb -0.16 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.79 2qa4 s THR 54 CO 0.01 -0.14 0.96 -1.58 -0.54 0.00 0.00 174.62 173.33 2qa4 s GLN 55 N -3.91 0.45 -0.38 3.99 0.74 -1.05 -4.97 119.66 114.53 2qa4 s GLN 55 Ca 0.40 0.70 -0.22 0.00 0.05 0.00 0.00 55.36 56.28 2qa4 s GLN 55 Cb -0.03 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.23 2qa4 s GLN 55 CO 0.24 -0.08 0.74 -0.80 -0.55 0.00 0.00 175.29 174.84 2qa4 s ASN 56 N 1.04 6.49 0.61 6.67 0.01 -1.26 0.55 114.94 129.06 2qa4 s ASN 56 Ca -0.06 0.20 -0.15 0.00 -0.71 0.00 0.00 52.86 52.15 2qa4 s ASN 56 Cb -0.04 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 2qa4 s ASN 56 CO -0.13 -0.73 1.06 -0.89 -1.51 0.00 0.00 177.10 174.90 2qa4 s THR 57 N 3.02 3.85 -0.12 1.60 2.01 0.19 -4.91 115.64 121.29 2qa4 s THR 57 Ca 0.29 0.82 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2qa4 s THR 57 Cb -0.13 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 69.03 2qa4 s THR 57 CO 0.17 -0.58 1.01 0.23 -0.69 0.00 0.00 174.62 174.76 2qa4 n MET 58 N -2.26 1.09 -0.26 4.92 2.81 -1.26 -2.52 117.12 119.64 2qa4 n MET 58 Ca 0.08 -0.18 0.06 0.00 -1.81 0.00 0.00 57.70 55.86 2qa4 n MET 58 Cb 0.53 -1.12 0.09 0.00 -0.71 0.00 0.00 33.22 32.02 2qa4 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2qa4 n ASP 59 N 0.37 1.52 0.00 7.83 10.43 -1.26 -4.99 116.55 130.45 2qa4 n ASP 59 Ca 0.03 -2.74 0.00 0.00 2.57 0.00 0.00 54.79 54.66 2qa4 n ASP 59 Cb 0.54 -0.35 0.00 0.00 1.84 0.00 0.00 41.12 43.15 2qa4 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qa4 n GLY 60 N -0.91 2.16 3.73 0.44 0.00 -1.05 -4.97 105.19 104.59 2qa4 n GLY 60 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2qa4 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qa4 s GLU 61 N -0.00 2.28 0.02 1.61 2.02 -1.26 -4.87 118.70 118.50 2qa4 s GLU 61 Ca 0.00 -1.69 -0.02 0.00 0.02 0.00 0.00 54.97 53.28 2qa4 s GLU 61 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 2qa4 s GLU 61 CO 0.00 0.00 0.19 0.21 0.02 0.00 0.00 175.26 175.68 2qa4 s LYS 62 N -3.87 3.42 -0.21 1.61 2.20 -1.04 0.54 119.74 122.38 2qa4 s LYS 62 Ca 0.39 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2qa4 s LYS 62 Cb 0.00 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 2qa4 s LYS 62 CO 0.23 0.65 -0.16 0.21 -0.36 0.00 0.00 175.35 175.92 2qa4 s LYS 63 N -2.14 2.74 -0.25 4.03 2.20 0.19 -1.56 119.74 124.95 2qa4 s LYS 63 Ca 0.30 -1.01 -0.12 0.00 -0.36 0.00 0.00 55.97 54.78 2qa4 s LYS 63 Cb -0.13 -2.72 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 2qa4 s LYS 63 CO 0.22 -0.34 0.24 0.00 -0.36 0.00 0.00 175.35 175.11 2qa4 s ALA 64 N 1.24 3.57 -0.34 3.13 0.00 -1.08 -2.53 121.76 125.74 2qa4 s ALA 64 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 2qa4 s ALA 64 Cb -0.16 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.49 2qa4 s ALA 64 CO -0.10 -0.40 0.19 0.08 0.00 0.00 0.00 175.76 175.53 2qa4 s VAL 65 N 1.49 4.69 -0.12 0.00 1.01 0.11 -0.14 120.40 127.44 2qa4 s VAL 65 Ca 0.10 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2qa4 s VAL 65 Cb -0.15 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2qa4 s VAL 65 CO 0.08 -0.07 -0.18 -0.69 0.00 0.00 0.00 175.10 174.24 2qa4 s VAL 66 N 1.60 2.55 -0.22 2.92 1.01 -0.26 0.10 120.40 128.11 2qa4 s VAL 66 Ca 0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 2qa4 s VAL 66 Cb -0.18 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2qa4 s VAL 66 CO 0.07 0.54 0.01 -0.60 0.00 0.00 0.00 175.10 175.11 2qa4 s ARG 67 N 0.42 3.55 0.22 2.72 3.52 -0.23 -0.25 118.95 128.90 2qa4 s ARG 67 Ca -0.14 -0.54 -0.29 0.00 -0.13 0.00 0.00 55.73 54.63 2qa4 s ARG 67 Cb -0.17 -3.13 -0.09 0.00 -1.56 0.00 0.00 34.95 30.01 2qa4 s ARG 67 CO 0.06 -0.12 0.92 -0.51 -0.81 0.00 0.00 175.30 174.85 2qa4 s LEU 68 N 1.34 4.63 0.96 -0.88 1.43 -1.05 -1.14 118.68 123.97 2qa4 s LEU 68 Ca 0.04 1.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.91 2qa4 s LEU 68 Cb -0.15 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2qa4 s LEU 68 CO 0.01 0.15 0.22 -1.54 0.23 0.00 0.00 176.35 175.41 2qa4 n SER 69 N 1.61 -2.66 0.00 2.29 3.41 -0.14 -4.78 113.62 113.35 2qa4 n SER 69 Ca -0.02 0.30 0.01 0.00 -0.26 0.00 0.00 58.87 58.89 2qa4 n SER 69 Cb 0.47 -1.14 0.04 0.00 -0.26 0.00 0.00 64.21 63.33 2qa4 n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qa4 n GLU 70 N -1.10 0.03 0.01 4.33 1.02 -1.26 -1.98 120.64 121.69 2qa4 n GLU 70 Ca 0.05 0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 2qa4 n GLU 70 Cb 0.54 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 2qa4 n GLU 70 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2qa4 h ASP 71 N 0.00 0.42 -3.22 1.62 1.82 -1.96 -3.48 116.42 111.62 2qa4 h ASP 71 Ca 0.00 -0.93 -0.52 0.00 -0.39 0.00 0.00 57.03 55.19 2qa4 h ASP 71 Cb 0.01 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2qa4 h ASP 71 CO 0.00 1.83 -0.13 -1.81 -1.61 0.00 0.00 179.24 177.53 2qa4 s ASP 72 N -7.06 6.45 -0.22 2.28 1.01 -0.84 -5.09 116.67 113.20 2qa4 s ASP 72 Ca -0.22 0.73 -0.03 0.00 0.71 0.00 0.00 52.55 53.74 2qa4 s ASP 72 Cb 0.06 -2.15 -0.00 0.00 1.01 0.00 0.00 42.92 41.84 2qa4 s ASP 72 CO 0.77 -0.21 -0.06 -0.62 0.21 0.00 0.00 175.17 175.26 2qa4 s ASP 73 N -3.18 4.17 0.08 0.27 -1.08 -1.26 -4.74 116.67 110.93 2qa4 s ASP 73 Ca 0.44 -0.47 -0.30 0.00 -0.52 0.00 0.00 52.55 51.69 2qa4 s ASP 73 Cb -0.11 -1.70 -0.16 0.00 -1.46 0.00 0.00 42.92 39.50 2qa4 s ASP 73 CO 0.30 -0.03 1.64 0.00 0.52 0.00 0.00 175.17 177.60 2qa4 h ALA 74 N 8.09 -0.70 -1.05 3.66 0.00 -1.86 -2.93 119.26 124.48 2qa4 h ALA 74 Ca -0.41 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 54.64 2qa4 h ALA 74 Cb 1.15 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 19.20 2qa4 h ALA 74 CO 0.61 -0.91 0.67 1.96 0.00 0.00 0.00 179.25 181.58 2qa4 h GLN 75 N -0.70 0.38 -0.17 0.00 4.20 -1.94 -0.44 115.11 116.44 2qa4 h GLN 75 Ca -0.05 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 2qa4 h GLN 75 Cb 0.58 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2qa4 h GLN 75 CO 0.04 0.25 -0.67 0.93 -0.67 0.00 0.00 178.83 178.72 2qa4 h GLU 76 N 0.39 0.66 0.04 1.46 5.08 -1.95 -3.00 114.58 117.26 2qa4 h GLU 76 Ca 0.60 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2qa4 h GLU 76 Cb 1.52 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2qa4 h GLU 76 CO -0.31 1.10 -0.02 0.28 -1.00 0.00 0.00 179.01 179.06 2qa4 h VAL 77 N 0.48 1.22 0.00 3.13 2.07 -0.94 -3.17 116.25 119.04 2qa4 h VAL 77 Ca -0.02 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2qa4 h VAL 77 Cb 1.26 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2qa4 h VAL 77 CO 0.13 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.94 2qa4 h ALA 78 N 0.52 1.00 0.00 1.67 0.00 -1.48 -3.13 119.26 117.84 2qa4 h ALA 78 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2qa4 h ALA 78 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qa4 h ALA 78 CO 0.01 0.00 -1.07 0.66 0.00 0.00 0.00 179.25 178.85 2qa4 h SER 79 N 0.00 0.00 0.52 0.00 4.64 -1.49 -3.32 113.55 113.90 2qa4 h SER 79 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qa4 h SER 79 Cb 0.33 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2qa4 h SER 79 CO 0.00 1.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.85 2qa4 n ARG 80 N -3.32 0.10 0.00 4.77 1.85 -1.18 -5.13 116.66 113.75 2qa4 n ARG 80 Ca -0.02 0.16 0.12 0.00 -1.00 0.00 0.00 57.85 57.11 2qa4 n ARG 80 Cb 0.95 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 31.00 2qa4 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06