#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s ARG 8 N 0.00 0.41 -0.10 5.31 1.70 -1.04 -4.98 118.95 120.25 2qa4 s ARG 8 Ca 0.00 -0.26 0.03 0.00 -0.47 0.00 0.00 55.73 55.03 2qa4 s ARG 8 Cb 0.00 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 2qa4 s ARG 8 CO 0.00 -0.19 -0.21 0.08 -1.08 0.00 0.00 175.30 173.90 2qa4 s VAL 9 N -2.03 1.85 0.21 4.99 1.01 -1.26 -2.39 120.40 122.78 2qa4 s VAL 9 Ca 0.29 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.45 2qa4 s VAL 9 Cb -0.01 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2qa4 s VAL 9 CO -0.01 0.51 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 2qa4 s VAL 10 N 0.52 1.60 -0.42 2.92 1.01 -0.48 -4.98 120.40 120.57 2qa4 s VAL 10 Ca -0.15 -2.17 -0.07 0.00 0.00 0.00 0.00 61.98 59.59 2qa4 s VAL 10 Cb -0.17 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 34.20 2qa4 s VAL 10 CO 0.06 -0.55 0.24 -0.89 0.00 0.00 0.00 175.10 173.95 2qa4 s THR 11 N -3.06 3.84 -0.23 3.92 2.01 -1.26 -0.31 115.64 120.55 2qa4 s THR 11 Ca 0.23 -1.68 -0.24 0.00 0.31 0.00 0.00 61.69 60.31 2qa4 s THR 11 Cb 0.01 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 2qa4 s THR 11 CO 0.07 -0.59 0.81 -0.63 -0.69 0.00 0.00 174.62 173.60 2qa4 s ILE 12 N 1.31 4.86 -0.34 1.82 -1.09 0.65 -4.86 121.20 123.55 2qa4 s ILE 12 Ca 0.04 1.55 -0.24 0.00 -2.23 0.00 0.00 60.65 59.78 2qa4 s ILE 12 Cb -0.23 -4.11 0.01 0.00 -1.58 0.00 0.00 42.46 36.55 2qa4 s ILE 12 CO -0.01 -0.04 0.80 -2.16 -1.23 0.00 0.00 174.94 172.30 2qa4 s PRO 13 N 2.67 3.83 -0.71 2.79 0.04 -1.26 -0.88 135.00 141.48 2qa4 s PRO 13 Ca 0.35 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 2qa4 s PRO 13 Cb -0.16 -3.78 0.39 0.00 0.04 0.00 0.00 34.50 31.00 2qa4 s PRO 13 CO 0.08 -0.80 1.87 1.28 0.04 0.00 0.00 177.00 179.48 2qa4 n LEU 14 N 6.39 7.11 0.00 -3.56 4.77 0.66 -4.50 117.00 127.86 2qa4 n LEU 14 Ca 0.04 -4.72 0.11 0.00 -0.03 0.00 0.00 56.01 51.41 2qa4 n LEU 14 Cb 0.48 -0.93 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2qa4 n LEU 14 CO 0.53 1.75 0.15 -2.11 -1.33 0.00 0.00 177.39 176.39 2qa4 n ARG 15 N -0.66 0.01 -0.15 3.23 1.85 -1.25 -3.89 116.66 115.80 2qa4 n ARG 15 Ca 0.54 -0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.46 2qa4 n ARG 15 Cb 0.45 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.56 2qa4 n ARG 15 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2qa4 n ASP 16 N -1.52 1.80 0.11 2.89 9.92 -1.26 -3.35 116.55 125.13 2qa4 n ASP 16 Ca 0.05 -1.93 0.08 0.00 -0.53 0.00 0.00 54.79 52.45 2qa4 n ASP 16 Cb 0.34 -0.20 0.01 0.00 -0.64 0.00 0.00 41.12 40.62 2qa4 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qa4 h ALA 17 N 3.72 0.61 0.00 2.24 0.00 -1.93 -3.31 119.26 120.59 2qa4 h ALA 17 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qa4 h ALA 17 Cb 0.46 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qa4 h ALA 17 CO 0.00 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.03 2qa4 n ARG 18 N -2.82 0.07 0.09 0.00 1.74 -1.21 -2.01 116.66 112.51 2qa4 n ARG 18 Ca -0.01 0.42 -0.04 0.00 -0.77 0.00 0.00 57.85 57.45 2qa4 n ARG 18 Cb 0.62 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 30.33 2qa4 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qa4 h ALA 19 N 2.23 0.47 -2.67 7.54 0.00 -1.82 -3.45 119.26 121.56 2qa4 h ALA 19 Ca 0.00 -0.75 -0.60 0.00 0.00 0.00 0.00 54.91 53.56 2qa4 h ALA 19 Cb 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2qa4 h ALA 19 CO 0.00 1.03 -0.19 -2.00 0.00 0.00 0.00 179.25 178.08 2qa4 s GLU 20 N -2.80 3.89 -0.38 0.00 2.56 -0.85 -4.98 118.70 116.14 2qa4 s GLU 20 Ca 0.02 0.37 -0.35 0.00 0.00 0.00 0.00 54.97 55.01 2qa4 s GLU 20 Cb 0.09 -3.13 -0.15 0.00 2.00 0.00 0.00 34.13 32.95 2qa4 s GLU 20 CO 0.79 0.63 1.30 -2.30 -0.56 0.00 0.00 175.26 175.13 2qa4 n PRO 21 N 1.44 0.00 -0.41 4.30 -0.02 -1.26 -4.73 135.00 134.32 2qa4 n PRO 21 Ca -0.11 0.00 0.35 0.00 -2.02 0.00 0.00 63.50 61.72 2qa4 n PRO 21 Cb 0.52 -1.13 0.63 0.00 -0.02 0.00 0.00 33.50 33.50 2qa4 n PRO 21 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2qa4 h ASN 22 N 4.50 0.28 0.22 2.55 2.35 -1.89 0.60 115.58 124.19 2qa4 h ASN 22 Ca -0.27 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2qa4 h ASN 22 Cb 1.04 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2qa4 h ASN 22 CO 0.76 -0.25 0.00 0.00 -1.65 0.00 0.00 177.43 176.29 2qa4 n HIS 23 N -4.86 0.00 -1.57 1.19 1.44 -1.26 -2.47 115.22 107.68 2qa4 n HIS 23 Ca 0.37 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.15 2qa4 n HIS 23 Cb 1.39 -0.17 0.13 0.00 0.12 0.00 0.00 29.99 31.46 2qa4 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qa4 n LYS 24 N -1.17 1.08 -0.29 -1.40 5.02 0.21 -4.48 118.16 117.13 2qa4 n LYS 24 Ca 0.12 -2.59 -0.04 0.00 -2.02 0.00 0.00 58.31 53.77 2qa4 n LYS 24 Cb 0.12 -1.23 0.07 0.00 -0.02 0.00 0.00 35.03 33.97 2qa4 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qa4 h ARG 25 N 0.51 1.04 0.81 1.97 3.08 -1.14 -3.22 114.38 117.43 2qa4 h ARG 25 Ca -0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2qa4 h ARG 25 Cb 1.17 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2qa4 h ARG 25 CO 0.01 0.69 -0.42 0.00 -1.07 0.00 0.00 179.97 179.17 2qa4 h ALA 26 N 1.29 -1.15 -0.69 0.04 0.00 -1.13 -2.66 119.26 114.96 2qa4 h ALA 26 Ca 0.29 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2qa4 h ALA 26 Cb -0.12 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 2qa4 h ALA 26 CO -0.07 -1.15 -0.48 -0.44 0.00 0.00 0.00 179.25 177.11 2qa4 h ASP 27 N -1.13 -1.69 -0.96 0.00 3.32 -1.82 -0.51 116.42 113.63 2qa4 h ASP 27 Ca -0.11 0.27 0.15 0.00 0.02 0.00 0.00 57.03 57.37 2qa4 h ASP 27 Cb 0.88 0.76 -0.10 0.00 0.22 0.00 0.00 39.33 41.10 2qa4 h ASP 27 CO 0.16 -0.32 0.57 0.50 -1.72 0.00 0.00 179.24 178.42 2qa4 h LYS 28 N -0.18 0.78 -0.37 3.56 1.63 -1.55 -1.23 116.57 119.20 2qa4 h LYS 28 Ca 0.18 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2qa4 h LYS 28 Cb 0.54 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 2qa4 h LYS 28 CO -0.76 0.51 0.19 0.00 -3.45 0.00 0.00 179.45 175.95 2qa4 h ALA 29 N 1.58 0.48 0.00 5.00 0.00 -0.75 -1.09 119.26 124.49 2qa4 h ALA 29 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2qa4 h ALA 29 Cb 0.69 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qa4 h ALA 29 CO -0.34 0.02 0.15 1.98 0.00 0.00 0.00 179.25 181.07 2qa4 h MET 30 N 0.47 0.00 0.01 0.00 1.85 -0.67 0.23 114.93 116.82 2qa4 h MET 30 Ca 0.13 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 59.06 2qa4 h MET 30 Cb 0.08 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 2qa4 h MET 30 CO -0.02 0.00 -0.86 0.82 -0.40 0.00 0.00 176.91 176.45 2qa4 h ILE 31 N 0.00 1.21 -0.20 1.77 2.04 -1.10 -3.31 117.51 117.92 2qa4 h ILE 31 Ca 0.00 -2.25 0.05 0.00 1.00 0.00 0.00 64.86 63.66 2qa4 h ILE 31 Cb 0.31 2.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.98 2qa4 h ILE 31 CO 0.00 0.44 -0.13 -0.07 0.00 0.00 0.00 178.15 178.39 2qa4 h LEU 32 N -0.94 -0.44 -0.66 1.44 3.38 0.06 0.14 115.31 118.29 2qa4 h LEU 32 Ca -0.23 0.09 0.13 0.00 0.09 0.00 0.00 57.88 57.96 2qa4 h LEU 32 Cb 1.24 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 42.09 2qa4 h LEU 32 CO -0.12 -0.17 -0.19 0.40 0.09 0.00 0.00 178.44 178.45 2qa4 h ILE 33 N -0.13 0.31 -0.16 1.22 2.04 -0.91 0.29 117.51 120.17 2qa4 h ILE 33 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 2qa4 h ILE 33 Cb 0.30 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2qa4 h ILE 33 CO -0.28 0.00 0.04 -0.09 0.00 0.00 0.00 178.15 177.81 2qa4 h ARG 34 N -0.02 0.25 -0.55 2.37 2.43 -1.40 -2.59 114.38 114.87 2qa4 h ARG 34 Ca 0.31 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2qa4 h ARG 34 Cb 0.50 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2qa4 h ARG 34 CO -0.69 0.40 0.37 0.93 -1.51 0.00 0.00 179.97 179.46 2qa4 h GLU 35 N 0.06 0.58 0.40 0.20 5.08 0.14 -0.88 114.58 120.16 2qa4 h GLU 35 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2qa4 h GLU 35 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2qa4 h GLU 35 CO 0.00 0.39 -0.19 1.25 -1.00 0.00 0.00 179.01 179.46 2qa4 h HIS 36 N 0.60 -0.49 -0.31 4.33 2.76 -0.36 -2.85 115.15 118.82 2qa4 h HIS 36 Ca 0.23 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.45 2qa4 h HIS 36 Cb 0.15 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 2qa4 h HIS 36 CO -0.00 -0.20 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.20 2qa4 h LEU 37 N -1.04 -0.53 -1.94 0.26 3.38 -1.31 0.18 115.31 114.31 2qa4 h LEU 37 Ca -0.05 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.21 2qa4 h LEU 37 Cb 0.52 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2qa4 h LEU 37 CO 0.09 -0.19 0.44 0.00 0.09 0.00 0.00 178.44 178.87 2qa4 h ALA 38 N 1.12 2.51 0.05 1.53 0.00 -1.26 0.60 119.26 123.81 2qa4 h ALA 38 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2qa4 h ALA 38 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qa4 h ALA 38 CO -0.38 -0.68 -0.50 -0.22 0.00 0.00 0.00 179.25 177.46 2qa4 h LYS 39 N 0.06 0.11 0.00 0.00 3.64 -0.60 -2.32 116.57 117.46 2qa4 h LYS 39 Ca 0.30 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2qa4 h LYS 39 Cb 1.10 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2qa4 h LYS 39 CO -0.02 1.09 0.00 0.72 -2.27 0.00 0.00 179.45 178.97 2qa4 n HIS 40 N -4.38 0.00 -0.55 1.91 8.25 0.37 -2.82 115.22 117.99 2qa4 n HIS 40 Ca -0.15 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.37 2qa4 n HIS 40 Cb 0.64 -0.46 0.10 0.00 1.12 0.00 0.00 29.99 31.40 2qa4 n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2qa4 n PHE 41 N -1.46 0.16 -2.67 4.41 3.01 0.20 -5.00 117.46 116.12 2qa4 n PHE 41 Ca 0.08 -0.74 -0.09 0.00 1.01 0.00 0.00 57.45 57.71 2qa4 n PHE 41 Cb 0.30 -0.12 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 2qa4 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qa4 n SER 42 N -0.75 -2.48 -4.39 4.37 7.64 -1.13 -4.96 113.62 111.92 2qa4 n SER 42 Ca 0.10 0.20 -0.20 0.00 1.01 0.00 0.00 58.87 59.98 2qa4 n SER 42 Cb 0.49 -2.17 0.02 0.00 -1.01 0.00 0.00 64.21 61.54 2qa4 n SER 42 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2qa4 n VAL 43 N -3.08 0.00 -4.02 0.44 0.31 -0.88 -5.03 118.33 106.07 2qa4 n VAL 43 Ca -0.05 -1.75 -0.34 0.00 -0.01 0.00 0.00 64.34 62.19 2qa4 n VAL 43 Cb 0.55 -0.26 -0.06 0.00 -0.91 0.00 0.00 33.84 33.15 2qa4 n VAL 43 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2qa4 s ASP 44 N -3.78 5.98 0.24 4.52 1.11 -1.26 -4.56 116.67 118.92 2qa4 s ASP 44 Ca 0.34 0.27 0.10 0.00 0.18 0.00 0.00 52.55 53.43 2qa4 s ASP 44 Cb -0.03 -1.81 0.53 0.00 1.07 0.00 0.00 42.92 42.69 2qa4 s ASP 44 CO 0.21 0.31 1.18 -0.62 1.18 0.00 0.00 175.17 177.43 2qa4 n GLU 45 N 1.35 0.07 0.14 8.23 1.02 -1.26 0.19 120.64 130.38 2qa4 n GLU 45 Ca -0.14 0.50 0.10 0.00 -0.02 0.00 0.00 57.16 57.60 2qa4 n GLU 45 Cb 0.53 -1.98 0.06 0.00 -0.02 0.00 0.00 31.44 30.03 2qa4 n GLU 45 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2qa4 h ASP 46 N 0.00 0.00 0.16 1.62 3.32 -1.99 -3.33 116.42 116.20 2qa4 h ASP 46 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 2qa4 h ASP 46 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2qa4 h ASP 46 CO 0.00 0.09 -1.80 0.00 -1.72 0.00 0.00 179.24 175.81 2qa4 h ALA 47 N 1.91 0.24 -1.74 3.45 0.00 -0.60 -3.47 119.26 119.06 2qa4 h ALA 47 Ca -0.01 -1.22 -0.65 0.00 0.00 0.00 0.00 54.91 53.03 2qa4 h ALA 47 Cb 1.08 0.54 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2qa4 h ALA 47 CO 0.01 1.10 1.17 0.28 0.00 0.00 0.00 179.25 181.81 2qa4 n VAL 48 N -3.59 0.44 -3.94 0.00 0.31 -1.13 -4.15 118.33 106.27 2qa4 n VAL 48 Ca -0.27 -0.16 -0.35 0.00 -0.01 0.00 0.00 64.34 63.55 2qa4 n VAL 48 Cb 1.05 -1.78 -0.14 0.00 -0.91 0.00 0.00 33.84 32.06 2qa4 n VAL 48 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2qa4 s ARG 49 N 4.67 2.99 0.17 5.55 3.52 -0.66 -4.98 118.95 130.22 2qa4 s ARG 49 Ca 0.98 -0.88 -0.15 0.00 -0.13 0.00 0.00 55.73 55.56 2qa4 s ARG 49 Cb -0.76 -3.01 -0.07 0.00 -1.56 0.00 0.00 34.95 29.55 2qa4 s ARG 49 CO 0.52 -0.35 0.59 -0.51 -0.81 0.00 0.00 175.30 174.74 2qa4 s LEU 50 N 1.38 4.32 0.21 -0.88 1.43 -1.26 -2.13 118.68 121.73 2qa4 s LEU 50 Ca 0.02 1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 54.07 2qa4 s LEU 50 Cb -0.16 -3.39 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 2qa4 s LEU 50 CO -0.04 0.06 0.69 -0.62 0.23 0.00 0.00 176.35 176.68 2qa4 s ASP 51 N -1.77 7.02 0.24 2.29 3.68 -1.12 -4.91 116.67 122.10 2qa4 s ASP 51 Ca 0.40 1.36 0.13 0.00 2.13 0.00 0.00 52.55 56.57 2qa4 s ASP 51 Cb -0.15 -2.40 0.68 0.00 -1.45 0.00 0.00 42.92 39.61 2qa4 s ASP 51 CO 0.20 0.05 1.31 -2.65 0.13 0.00 0.00 175.17 174.20 2qa4 n PRO 52 N 0.76 0.08 0.12 4.34 -0.02 -1.26 -1.23 135.00 137.79 2qa4 n PRO 52 Ca -0.03 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 61.97 2qa4 n PRO 52 Cb 0.51 -1.93 0.11 0.00 -0.02 0.00 0.00 33.50 32.17 2qa4 n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qa4 h SER 53 N 0.00 0.05 -0.02 2.55 4.64 -1.95 0.78 113.55 119.60 2qa4 h SER 53 Ca 0.00 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 2qa4 h SER 53 Cb 0.32 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2qa4 h SER 53 CO 0.00 0.72 -0.52 0.40 -0.87 0.00 0.00 176.83 176.56 2qa4 h ILE 54 N 0.03 1.31 0.66 0.95 2.04 -1.53 -1.77 117.51 119.20 2qa4 h ILE 54 Ca -0.01 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.07 2qa4 h ILE 54 Cb 1.22 1.71 0.01 0.00 -0.74 0.00 0.00 36.82 39.02 2qa4 h ILE 54 CO 0.09 0.55 -0.32 -1.13 0.00 0.00 0.00 178.15 177.34 2qa4 h ASN 55 N 0.46 -0.75 0.00 1.72 -1.24 -1.39 -2.45 115.58 111.93 2qa4 h ASN 55 Ca 0.02 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2qa4 h ASN 55 Cb 1.06 0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2qa4 h ASN 55 CO 0.10 -0.45 0.03 -0.33 -1.29 0.00 0.00 177.43 175.50 2qa4 h GLU 56 N -1.03 0.00 0.16 6.67 5.08 -0.84 -1.70 114.58 122.92 2qa4 h GLU 56 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2qa4 h GLU 56 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2qa4 h GLU 56 CO 0.15 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 178.08 2qa4 h ALA 57 N 1.92 -0.22 -0.93 3.43 0.00 -0.98 -2.72 119.26 119.75 2qa4 h ALA 57 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qa4 h ALA 57 Cb 0.07 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2qa4 h ALA 57 CO 0.00 -0.22 0.61 0.00 0.00 0.00 0.00 179.25 179.64 2qa4 h ALA 58 N -0.90 1.42 -0.16 0.00 0.00 -0.98 -1.15 119.26 117.49 2qa4 h ALA 58 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qa4 h ALA 58 Cb 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qa4 h ALA 58 CO 0.04 0.48 0.00 0.91 0.00 0.00 0.00 179.25 180.68 2qa4 n TRP 59 N -4.45 0.21 -0.07 0.00 7.02 -0.69 -4.38 117.44 115.08 2qa4 n TRP 59 Ca 0.13 -0.11 -0.10 0.00 -1.02 0.00 0.00 57.50 56.40 2qa4 n TRP 59 Cb 0.12 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.97 2qa4 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2qa4 h ALA 60 N 3.74 -0.44 -1.19 6.99 0.00 -0.87 -2.80 119.26 124.70 2qa4 h ALA 60 Ca 0.00 0.04 -0.79 0.00 0.00 0.00 0.00 54.91 54.16 2qa4 h ALA 60 Cb 0.33 0.80 -0.27 0.00 0.00 0.00 0.00 17.79 18.64 2qa4 h ALA 60 CO 0.00 -0.86 1.01 0.54 0.00 0.00 0.00 179.25 179.94 2qa4 n ARG 61 N -5.42 4.51 -0.63 0.00 1.74 -1.26 -5.02 116.66 110.58 2qa4 n ARG 61 Ca -0.02 -4.29 0.08 0.00 -0.77 0.00 0.00 57.85 52.86 2qa4 n ARG 61 Cb 0.35 -2.40 -0.02 0.00 -1.02 0.00 0.00 32.46 29.37 2qa4 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa4 n GLY 62 N -0.23 -1.79 0.20 -0.13 0.00 -1.06 -2.94 105.19 99.25 2qa4 n GLY 62 Ca 0.49 -1.36 0.14 0.00 0.00 0.00 0.00 46.02 45.29 2qa4 n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qa4 h ARG 63 N -0.59 0.00 0.00 1.61 2.43 -1.89 -3.31 114.38 112.63 2qa4 h ARG 63 Ca -0.01 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 2qa4 h ARG 63 Cb 0.58 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 2qa4 h ARG 63 CO 0.01 0.00 -2.14 0.00 -1.51 0.00 0.00 179.97 176.33 2qa4 n ALA 64 N -1.96 2.21 -2.76 2.80 0.00 -1.26 -0.55 120.51 118.99 2qa4 n ALA 64 Ca 0.02 -0.86 -0.40 0.00 0.00 0.00 0.00 53.44 52.20 2qa4 n ALA 64 Cb 0.34 -0.47 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 2qa4 n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qa4 s ASN 65 N -4.88 5.75 -0.03 0.00 0.01 -1.15 -4.71 114.94 109.92 2qa4 s ASN 65 Ca -0.09 -0.71 0.04 0.00 -0.71 0.00 0.00 52.86 51.39 2qa4 s ASN 65 Cb 0.10 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.71 2qa4 s ASN 65 CO 0.85 -0.29 -0.15 -0.89 -1.51 0.00 0.00 177.10 175.10 2qa4 s THR 66 N 1.62 1.24 0.33 1.60 2.01 -1.26 -4.09 115.64 117.08 2qa4 s THR 66 Ca 0.04 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2qa4 s THR 66 Cb -0.18 -1.07 -0.11 0.00 0.01 0.00 0.00 72.50 71.15 2qa4 s THR 66 CO 0.07 0.36 1.57 -2.16 -0.69 0.00 0.00 174.62 173.77 2qa4 s PRO 67 N -0.04 4.10 0.50 4.92 0.04 -1.26 -4.92 135.00 138.33 2qa4 s PRO 67 Ca -0.01 2.60 0.26 0.00 0.04 0.00 0.00 61.00 63.90 2qa4 s PRO 67 Cb -0.09 -2.99 1.31 0.00 0.04 0.00 0.00 34.50 32.76 2qa4 s PRO 67 CO 0.01 -0.62 2.01 0.66 0.04 0.00 0.00 177.00 179.10 2qa4 h SER 68 N 4.14 0.00 -4.69 6.66 4.64 -1.95 -3.42 113.55 118.92 2qa4 h SER 68 Ca -0.49 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.46 2qa4 h SER 68 Cb 1.23 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 2qa4 h SER 68 CO 0.74 0.15 -0.59 -0.54 -0.87 0.00 0.00 176.83 175.72 2qa4 s LYS 69 N -4.07 1.49 -0.29 4.77 1.02 -1.26 -0.24 119.74 121.15 2qa4 s LYS 69 Ca -0.02 -1.83 -0.15 0.00 0.02 0.00 0.00 55.97 53.99 2qa4 s LYS 69 Cb 0.12 -0.14 0.14 0.00 -0.52 0.00 0.00 37.83 37.43 2qa4 s LYS 69 CO 0.60 -0.38 0.88 -1.50 -0.92 0.00 0.00 175.35 174.03 2qa4 s ILE 70 N -3.71 -0.29 -0.05 2.17 2.07 -0.06 -4.85 121.20 116.48 2qa4 s ILE 70 Ca 0.37 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.36 2qa4 s ILE 70 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2qa4 s ILE 70 CO 0.15 0.00 0.76 -0.13 -1.91 0.00 0.00 174.94 173.82 2qa4 s ARG 71 N 1.94 4.47 -0.03 3.50 0.52 -1.26 -0.25 118.95 127.83 2qa4 s ARG 71 Ca -0.07 1.00 0.03 0.00 -0.52 0.00 0.00 55.73 56.18 2qa4 s ARG 71 Cb -0.06 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 31.97 2qa4 s ARG 71 CO -0.17 0.05 -0.12 0.54 0.02 0.00 0.00 175.30 175.62 2qa4 s VAL 72 N 0.80 1.05 -0.43 3.52 0.11 0.57 -4.35 120.40 121.68 2qa4 s VAL 72 Ca 0.41 -0.51 -0.17 0.00 -2.93 0.00 0.00 61.98 58.77 2qa4 s VAL 72 Cb -0.19 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 2qa4 s VAL 72 CO 0.20 0.31 0.41 -0.60 -3.33 0.00 0.00 175.10 172.10 2qa4 s ARG 73 N 0.08 3.06 0.37 1.54 3.52 0.98 -1.38 118.95 127.11 2qa4 s ARG 73 Ca -0.02 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 54.78 2qa4 s ARG 73 Cb -0.09 -3.99 -0.04 0.00 -1.56 0.00 0.00 34.95 29.26 2qa4 s ARG 73 CO 0.01 -0.86 0.16 0.00 -0.81 0.00 0.00 175.30 173.80 2qa4 s ALA 74 N 2.02 3.54 -0.07 6.12 0.00 -1.00 -1.91 121.76 130.45 2qa4 s ALA 74 Ca 0.10 -1.94 -0.24 0.00 0.00 0.00 0.00 51.96 49.89 2qa4 s ALA 74 Cb -0.18 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.38 2qa4 s ALA 74 CO 0.12 -0.05 0.55 0.00 0.00 0.00 0.00 175.76 176.38 2qa4 s ALA 75 N -2.49 -1.40 -0.08 0.00 0.00 -0.67 -2.48 121.76 114.64 2qa4 s ALA 75 Ca 0.39 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.45 2qa4 s ALA 75 Cb -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2qa4 s ALA 75 CO 0.23 -0.32 -0.10 0.50 0.00 0.00 0.00 175.76 176.07 2qa4 s ARG 76 N -0.91 1.54 0.00 0.00 3.52 -1.26 -1.60 118.95 120.23 2qa4 s ARG 76 Ca -0.09 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 2qa4 s ARG 76 Cb -0.02 -1.40 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 2qa4 s ARG 76 CO 0.06 -0.09 0.00 1.97 -0.81 0.00 0.00 175.30 176.43 2qa4 n PHE 77 N 4.24 0.00 -0.61 5.12 1.16 -0.98 -4.66 117.46 121.74 2qa4 n PHE 77 Ca -0.19 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.47 2qa4 n PHE 77 Cb 0.51 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 2qa4 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 2qa4 n GLU 78 N 0.00 -1.23 0.00 3.97 2.13 -1.26 -1.68 120.64 122.57 2qa4 n GLU 78 Ca 0.00 0.82 -0.12 0.00 0.66 0.00 0.00 57.16 58.51 2qa4 n GLU 78 Cb 0.00 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.13 2qa4 n GLU 78 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2qa4 h GLU 79 N -0.57 0.04 0.21 5.31 -0.00 -2.03 -3.31 114.58 114.24 2qa4 h GLU 79 Ca 0.01 -0.01 -0.34 0.00 -0.00 0.00 0.00 59.36 59.02 2qa4 h GLU 79 Cb 0.56 -0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.33 2qa4 h GLU 79 CO 0.00 0.28 -1.60 1.49 -0.00 0.00 0.00 179.01 179.18 2qa4 h GLU 80 N -0.21 0.45 0.00 1.06 4.81 -2.08 -3.50 114.58 115.12 2qa4 h GLU 80 Ca 0.01 -0.77 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 2qa4 h GLU 80 Cb 0.26 0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2qa4 h GLU 80 CO 0.00 1.37 0.00 0.41 -0.73 0.00 0.00 179.01 180.06 2qa4 n GLY 81 N 1.80 1.62 3.45 1.92 0.00 -1.25 -5.10 105.19 107.63 2qa4 n GLY 81 Ca -0.21 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 2qa4 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qa4 s GLU 82 N -0.92 1.81 -0.01 1.61 -1.05 -0.68 -4.72 118.70 114.74 2qa4 s GLU 82 Ca 0.00 -2.08 0.02 0.00 -0.15 0.00 0.00 54.97 52.76 2qa4 s GLU 82 Cb 0.00 -0.46 -0.00 0.00 -0.44 0.00 0.00 34.13 33.23 2qa4 s GLU 82 CO 0.00 -0.45 -0.07 0.00 0.95 0.00 0.00 175.26 175.69 2qa4 s ALA 83 N -3.32 0.64 0.01 -0.84 0.00 -1.26 -2.31 121.76 114.68 2qa4 s ALA 83 Ca 0.29 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.03 2qa4 s ALA 83 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2qa4 s ALA 83 CO 0.16 0.13 -0.19 0.42 0.00 0.00 0.00 175.76 176.28 2qa4 s ILE 84 N 0.00 2.71 0.25 0.00 1.01 -0.63 -1.65 121.20 122.89 2qa4 s ILE 84 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.58 2qa4 s ILE 84 Cb -0.05 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2qa4 s ILE 84 CO -0.00 0.43 0.12 -0.69 0.00 0.00 0.00 174.94 174.80 2qa4 s VAL 85 N -0.83 0.33 -0.03 2.92 1.01 -0.91 -1.66 120.40 121.23 2qa4 s VAL 85 Ca 0.13 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.81 2qa4 s VAL 85 Cb -0.10 -2.57 0.12 0.00 0.00 0.00 0.00 36.38 33.82 2qa4 s VAL 85 CO 0.03 0.00 1.20 -1.83 0.00 0.00 0.00 175.10 174.50 2qa4 s GLU 86 N -4.01 0.52 0.00 2.72 -1.05 -0.80 -2.78 118.70 113.30 2qa4 s GLU 86 Ca 0.38 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 2qa4 s GLU 86 Cb 0.07 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2qa4 s GLU 86 CO 0.14 -0.24 0.00 0.00 0.95 0.00 0.00 175.26 176.12 2qa4 n ALA 87 N -0.39 0.00 -1.85 -0.84 0.00 -1.26 -0.02 120.51 116.15 2qa4 n ALA 87 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qa4 n ALA 87 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2qa4 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89