#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq8 s LEU 2 N 0.00 2.55 0.35 4.03 0.20 -1.26 -5.07 118.68 119.48 1rq8 s LEU 2 Ca 0.00 -0.60 0.07 0.00 0.69 0.00 0.00 54.13 54.28 1rq8 s LEU 2 Cb 0.00 -1.43 -0.07 0.00 -0.43 0.00 0.00 46.19 44.26 1rq8 s LEU 2 CO 0.00 0.19 -0.01 0.28 -0.29 0.00 0.00 176.35 176.52 1rq8 s THR 3 N -1.08 1.76 0.20 3.68 -1.32 -1.26 -4.96 115.64 112.67 1rq8 s THR 3 Ca 0.16 -2.07 -0.15 0.00 -1.21 0.00 0.00 61.69 58.43 1rq8 s THR 3 Cb -0.10 -2.76 0.20 0.00 -1.51 0.00 0.00 72.50 68.33 1rq8 s THR 3 CO 0.08 -0.11 1.63 1.23 -2.21 0.00 0.00 174.62 175.24 1rq8 h GLY 4 N 2.02 0.39 0.49 6.08 0.00 -1.98 0.54 103.07 110.60 1rq8 h GLY 4 Ca -0.42 0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.19 1rq8 h GLY 4 CO 0.73 -0.22 0.10 1.70 0.00 0.00 0.00 176.54 178.85 1rq8 h LYS 5 N -0.02 0.23 -0.51 4.80 3.64 -1.97 0.16 116.57 122.91 1rq8 h LYS 5 Ca 0.28 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1rq8 h LYS 5 Cb 0.44 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1rq8 h LYS 5 CO -0.61 0.15 -0.16 1.96 -2.27 0.00 0.00 179.45 178.52 1rq8 h GLN 6 N 0.24 1.01 -0.98 1.90 4.20 -1.46 -2.63 115.11 117.38 1rq8 h GLN 6 Ca 0.21 -0.40 0.08 0.00 0.06 0.00 0.00 58.65 58.60 1rq8 h GLN 6 Cb 0.25 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 1rq8 h GLN 6 CO -0.26 1.09 0.63 -0.22 -0.67 0.00 0.00 178.83 179.39 1rq8 h LYS 7 N 0.87 1.06 0.35 1.46 3.64 0.10 0.70 116.57 124.75 1rq8 h LYS 7 Ca 0.12 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1rq8 h LYS 7 Cb 0.74 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1rq8 h LYS 7 CO 0.06 0.70 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.56 1rq8 h ARG 8 N 1.09 -0.62 -0.54 1.90 2.43 -0.34 1.65 114.38 119.95 1rq8 h ARG 8 Ca 0.44 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.63 1rq8 h ARG 8 Cb 0.27 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1rq8 h ARG 8 CO -0.19 -0.41 0.25 1.88 -1.51 0.00 0.00 179.97 179.98 1rq8 h TYR 9 N -0.64 0.79 0.03 2.20 0.05 -1.36 -3.08 116.97 114.95 1rq8 h TYR 9 Ca -0.03 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1rq8 h TYR 9 Cb 0.57 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 38.07 1rq8 h TYR 9 CO -0.15 0.63 -0.25 1.25 -1.05 0.00 0.00 178.16 178.58 1rq8 h LEU 10 N 0.73 0.16 -1.90 3.88 6.46 -0.64 -3.02 115.31 120.99 1rq8 h LEU 10 Ca 0.18 -0.91 0.19 0.00 -0.12 0.00 0.00 57.88 57.22 1rq8 h LEU 10 Cb 0.14 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1rq8 h LEU 10 CO -0.02 1.06 0.59 0.08 -0.62 0.00 0.00 178.44 179.53 1rq8 h ARG 11 N -0.71 0.00 0.24 1.25 -0.00 0.24 0.42 114.38 115.82 1rq8 h ARG 11 Ca -0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.60 1rq8 h ARG 11 Cb 1.13 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 31.13 1rq8 h ARG 11 CO 0.05 0.00 -1.54 1.03 -0.00 0.00 0.00 179.97 179.51 1rq8 h SER 12 N 0.00 0.80 -0.33 0.08 0.87 -1.57 -3.35 113.55 110.04 1rq8 h SER 12 Ca 0.31 -0.93 0.05 0.00 -1.23 0.00 0.00 61.79 59.99 1rq8 h SER 12 Cb 1.49 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 1rq8 h SER 12 CO -0.00 1.73 0.05 -0.07 -0.53 0.00 0.00 176.83 178.01 1rq8 h LEU 13 N 0.13 -0.02 -1.96 2.23 -0.00 -0.78 -0.30 115.31 114.61 1rq8 h LEU 13 Ca -0.28 0.06 0.26 0.00 -0.00 0.00 0.00 57.88 57.92 1rq8 h LEU 13 Cb 2.15 0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 42.86 1rq8 h LEU 13 CO 0.25 0.02 0.68 0.00 -0.00 0.00 0.00 178.44 179.40 1rq8 h ALA 14 N 1.26 2.80 0.00 1.53 0.00 -1.63 0.11 119.26 123.32 1rq8 h ALA 14 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rq8 h ALA 14 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rq8 h ALA 14 CO -0.22 -1.14 0.29 1.25 0.00 0.00 0.00 179.25 179.42 1rq8 h HIS 15 N 0.00 0.00 0.00 0.00 6.17 -1.18 -1.62 115.15 118.52 1rq8 h HIS 15 Ca 0.42 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.50 1rq8 h HIS 15 Cb 1.79 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.72 1rq8 h HIS 15 CO 0.00 0.00 -0.71 -1.71 0.71 0.00 0.00 177.93 176.22 1rq8 n ASN 16 N -2.91 2.04 -4.04 3.26 5.15 0.35 -5.03 115.26 114.09 1rq8 n ASN 16 Ca -0.02 -0.31 -0.30 0.00 -0.60 0.00 0.00 54.58 53.35 1rq8 n ASN 16 Cb 0.34 1.11 0.20 0.00 -0.53 0.00 0.00 39.78 40.90 1rq8 n ASN 16 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1rq8 s ILE 17 N -1.88 1.86 0.10 -1.44 1.01 -0.61 -5.06 121.20 115.18 1rq8 s ILE 17 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1rq8 s ILE 17 Cb 0.03 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1rq8 s ILE 17 CO 0.20 0.00 0.03 -1.81 0.00 0.00 0.00 174.94 173.36 1rq8 s ASP 18 N -4.55 5.20 -0.27 3.58 1.11 -1.26 -4.94 116.67 115.54 1rq8 s ASP 18 Ca 0.73 -0.14 -0.28 0.00 0.18 0.00 0.00 52.55 53.04 1rq8 s ASP 18 Cb -0.06 -1.29 -0.04 0.00 1.07 0.00 0.00 42.92 42.60 1rq8 s ASP 18 CO 0.54 0.16 2.13 -2.16 1.18 0.00 0.00 175.17 177.02 1rq8 s PRO 19 N -2.44 3.09 0.27 8.23 0.04 -1.26 -3.62 135.00 139.31 1rq8 s PRO 19 Ca 0.27 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 1rq8 s PRO 19 Cb -0.12 -4.35 0.54 0.00 0.04 0.00 0.00 34.50 30.61 1rq8 s PRO 19 CO 0.20 -2.14 1.61 0.97 0.04 0.00 0.00 177.00 177.68 1rq8 h ILE 20 N 7.11 0.23 -3.13 0.56 2.10 0.13 -3.44 117.51 121.07 1rq8 h ILE 20 Ca -0.38 -0.03 -0.02 0.00 1.08 0.00 0.00 64.86 65.52 1rq8 h ILE 20 Cb 1.22 0.15 -0.11 0.00 -1.09 0.00 0.00 36.82 36.98 1rq8 h ILE 20 CO 1.00 0.01 0.13 -0.36 -1.08 0.00 0.00 178.15 177.85 1rq8 s PHE 21 N -6.09 -0.38 -0.20 2.19 0.08 -1.26 -4.89 117.98 107.44 1rq8 s PHE 21 Ca -0.13 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 56.93 1rq8 s PHE 21 Cb 0.25 0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 43.13 1rq8 s PHE 21 CO 0.76 -0.86 0.11 1.14 -0.10 0.00 0.00 175.22 176.27 1rq8 s GLN 22 N -3.79 4.09 0.26 0.44 -2.07 -1.26 -2.45 119.66 114.88 1rq8 s GLN 22 Ca 0.03 -0.28 -0.23 0.00 -1.82 0.00 0.00 55.36 53.07 1rq8 s GLN 22 Cb -0.01 -3.35 -0.09 0.00 -1.09 0.00 0.00 33.01 28.47 1rq8 s GLN 22 CO -0.10 0.26 0.82 0.42 -1.32 0.00 0.00 175.29 175.38 1rq8 s ILE 23 N 0.44 4.39 0.82 3.63 -1.09 0.37 -4.96 121.20 124.82 1rq8 s ILE 23 Ca 0.06 1.56 -0.12 0.00 -2.23 0.00 0.00 60.65 59.92 1rq8 s ILE 23 Cb -0.12 -3.96 0.09 0.00 -1.58 0.00 0.00 42.46 36.89 1rq8 s ILE 23 CO -0.01 0.22 1.12 -0.83 -1.23 0.00 0.00 174.94 174.21 1rq8 s GLY 24 N -1.58 1.61 0.12 6.18 0.00 -1.26 -2.56 107.32 109.82 1rq8 s GLY 24 Ca 0.45 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.85 1rq8 s GLY 24 CO 0.23 0.10 1.26 1.70 0.00 0.00 0.00 173.10 176.39 1rq8 h LYS 25 N -1.16 0.07 -0.95 2.90 3.64 -1.97 -3.26 116.57 115.83 1rq8 h LYS 25 Ca -0.48 -0.11 0.22 0.00 -1.27 0.00 0.00 60.65 59.01 1rq8 h LYS 25 Cb 1.29 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 1rq8 h LYS 25 CO 0.61 1.04 0.62 0.78 -2.27 0.00 0.00 179.45 180.23 1rq8 h GLY 26 N 2.61 1.03 0.00 5.01 0.00 -1.93 -3.45 103.07 106.33 1rq8 h GLY 26 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1rq8 h GLY 26 CO 0.15 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.26 1rq8 n GLY 27 N -1.49 3.23 3.64 4.60 0.00 -1.23 -5.06 105.19 108.87 1rq8 n GLY 27 Ca 0.21 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1rq8 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rq8 s ILE 28 N -2.00 3.35 -0.07 -0.61 1.01 -1.26 -4.42 121.20 117.20 1rq8 s ILE 28 Ca 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 1rq8 s ILE 28 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1rq8 s ILE 28 CO 0.00 -0.11 0.10 0.21 0.00 0.00 0.00 174.94 175.14 1rq8 s ASN 29 N 4.94 5.96 0.53 3.58 2.47 -1.26 -4.97 114.94 126.19 1rq8 s ASN 29 Ca 0.82 0.30 0.31 0.00 0.42 0.00 0.00 52.86 54.72 1rq8 s ASN 29 Cb -0.33 -1.82 1.47 0.00 -1.45 0.00 0.00 41.25 39.12 1rq8 s ASN 29 CO 0.34 0.35 1.89 -0.08 -3.72 0.00 0.00 177.10 175.88 1rq8 h GLU 30 N 4.66 0.01 -0.46 0.43 4.81 -1.98 0.12 114.58 122.18 1rq8 h GLU 30 Ca -0.52 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.79 1rq8 h GLU 30 Cb 1.20 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 1rq8 h GLU 30 CO 0.60 0.01 0.09 -0.91 -0.73 0.00 0.00 179.01 178.06 1rq8 h ASN 31 N 0.01 -0.00 -0.58 1.04 2.35 -1.99 1.46 115.58 117.86 1rq8 h ASN 31 Ca 0.43 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 56.17 1rq8 h ASN 31 Cb 1.70 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 40.16 1rq8 h ASN 31 CO -0.01 0.03 0.01 0.24 -1.65 0.00 0.00 177.43 176.05 1rq8 h MET 32 N 0.22 1.04 -0.11 0.81 2.86 -1.13 -2.61 114.93 116.01 1rq8 h MET 32 Ca 0.23 -0.32 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 1rq8 h MET 32 Cb 0.29 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1rq8 h MET 32 CO -0.30 1.01 -0.49 0.82 1.06 0.00 0.00 176.91 179.00 1rq8 h ILE 33 N 0.95 1.34 -0.84 -1.22 2.04 -0.73 -1.10 117.51 117.95 1rq8 h ILE 33 Ca 0.17 -1.72 0.13 0.00 1.00 0.00 0.00 64.86 64.44 1rq8 h ILE 33 Cb 0.53 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 38.33 1rq8 h ILE 33 CO 0.03 0.51 0.45 0.11 0.00 0.00 0.00 178.15 179.25 1rq8 h LYS 34 N 0.22 0.67 0.12 2.37 1.79 0.23 1.78 116.57 123.76 1rq8 h LYS 34 Ca 0.01 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1rq8 h LYS 34 Cb 0.95 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1rq8 h LYS 34 CO 0.08 0.45 -0.06 1.96 -1.08 0.00 0.00 179.45 180.80 1rq8 h GLN 35 N 0.69 -0.16 -0.91 3.15 4.20 -1.40 -3.11 115.11 117.58 1rq8 h GLN 35 Ca 0.44 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.33 1rq8 h GLN 35 Cb 0.54 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1rq8 h GLN 35 CO -0.31 0.32 0.59 0.82 -0.67 0.00 0.00 178.83 179.57 1rq8 h ILE 36 N -0.87 0.76 -0.17 2.54 2.04 -0.63 -0.22 117.51 120.96 1rq8 h ILE 36 Ca -0.02 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1rq8 h ILE 36 Cb 0.55 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1rq8 h ILE 36 CO 0.03 0.11 -0.10 -0.78 0.00 0.00 0.00 178.15 177.41 1rq8 h ASP 37 N 0.60 -0.32 0.56 1.72 3.58 0.27 1.37 116.42 124.19 1rq8 h ASP 37 Ca 0.48 0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.79 1rq8 h ASP 37 Cb 0.91 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1rq8 h ASP 37 CO -0.22 -0.13 -0.93 -0.78 -2.88 0.00 0.00 179.24 174.30 1rq8 h ASP 38 N -0.09 0.31 1.39 2.28 1.82 -1.17 -1.74 116.42 119.22 1rq8 h ASP 38 Ca 0.10 -0.26 -0.09 0.00 -0.39 0.00 0.00 57.03 56.39 1rq8 h ASP 38 Cb 0.24 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 1rq8 h ASP 38 CO -0.23 1.08 -0.63 0.74 -1.61 0.00 0.00 179.24 178.60 1rq8 h THR 39 N 0.12 0.56 0.03 2.25 2.02 -0.78 -3.02 112.91 114.10 1rq8 h THR 39 Ca -0.06 -1.84 -0.16 0.00 0.77 0.00 0.00 66.41 65.12 1rq8 h THR 39 Cb 1.57 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 1rq8 h THR 39 CO 0.15 0.32 -0.84 0.25 0.37 0.00 0.00 175.52 175.76 1rq8 h LEU 40 N 0.00 0.11 -1.20 2.58 6.46 0.18 -3.07 115.31 120.37 1rq8 h LEU 40 Ca -0.03 -0.78 0.07 0.00 -0.12 0.00 0.00 57.88 57.02 1rq8 h LEU 40 Cb 1.32 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.15 1rq8 h LEU 40 CO 0.04 1.35 0.57 -0.08 -0.62 0.00 0.00 178.44 179.70 1rq8 h GLU 41 N -0.80 0.91 -0.26 1.25 4.81 -1.44 -2.23 114.58 116.82 1rq8 h GLU 41 Ca -0.21 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1rq8 h GLU 41 Cb 1.32 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1rq8 h GLU 41 CO -0.06 0.60 -0.19 -0.91 -0.73 0.00 0.00 179.01 177.72 1rq8 h ASN 42 N 0.94 0.62 -1.39 1.04 4.21 -1.66 -3.44 115.58 115.91 1rq8 h ASN 42 Ca 0.38 -0.45 -0.48 0.00 1.21 0.00 0.00 56.30 56.97 1rq8 h ASN 42 Cb 0.27 -0.17 0.05 0.00 -1.12 0.00 0.00 38.32 37.35 1rq8 h ASN 42 CO -0.15 0.93 -0.01 -0.13 -1.29 0.00 0.00 177.43 176.79 1rq8 s ARG 43 N -4.46 2.00 -0.23 0.81 0.52 -0.84 -4.10 118.95 112.66 1rq8 s ARG 43 Ca -0.13 -1.42 -0.07 0.00 -0.52 0.00 0.00 55.73 53.59 1rq8 s ARG 43 Cb 0.08 -2.50 -0.11 0.00 0.52 0.00 0.00 34.95 32.93 1rq8 s ARG 43 CO 0.80 -1.14 -0.26 0.39 0.02 0.00 0.00 175.30 175.11 1rq8 n GLU 44 N -2.52 0.51 -4.17 3.54 4.71 -1.26 -4.75 120.64 116.70 1rq8 n GLU 44 Ca 0.16 0.19 -0.34 0.00 -0.01 0.00 0.00 57.16 57.15 1rq8 n GLU 44 Cb 0.61 -1.36 -0.12 0.00 -1.01 0.00 0.00 31.44 29.56 1rq8 n GLU 44 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1rq8 s LEU 45 N -6.93 3.27 -0.05 -4.62 2.96 -1.26 -2.19 118.68 109.85 1rq8 s LEU 45 Ca -0.31 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1rq8 s LEU 45 Cb 0.11 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1rq8 s LEU 45 CO 0.44 0.10 -0.03 0.27 -1.32 0.00 0.00 176.35 175.81 1rq8 s ILE 46 N 0.78 0.47 0.06 6.68 -5.25 -0.96 -4.97 121.20 118.01 1rq8 s ILE 46 Ca -0.00 -0.04 -0.19 0.00 -0.99 0.00 0.00 60.65 59.42 1rq8 s ILE 46 Cb -0.14 -0.53 -0.07 0.00 2.95 0.00 0.00 42.46 44.67 1rq8 s ILE 46 CO 0.02 0.23 0.56 -0.54 -1.79 0.00 0.00 174.94 173.42 1rq8 s LYS 47 N 1.20 4.19 -0.09 0.37 1.02 -1.24 -2.27 119.74 122.92 1rq8 s LYS 47 Ca -0.07 0.72 0.02 0.00 0.02 0.00 0.00 55.97 56.66 1rq8 s LYS 47 Cb -0.14 -3.24 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 1rq8 s LYS 47 CO -0.02 0.63 -0.16 0.08 -0.92 0.00 0.00 175.35 174.96 1rq8 s VAL 48 N -1.05 1.50 -0.21 3.17 1.01 0.13 0.17 120.40 125.12 1rq8 s VAL 48 Ca 0.29 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 1rq8 s VAL 48 Cb -0.19 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1rq8 s VAL 48 CO 0.19 0.44 0.67 -2.28 0.00 0.00 0.00 175.10 174.11 1rq8 s HIS 49 N 0.75 3.36 -0.15 5.22 2.46 -1.02 0.18 115.29 126.08 1rq8 s HIS 49 Ca -0.12 0.96 -0.07 0.00 0.47 0.00 0.00 55.06 56.31 1rq8 s HIS 49 Cb -0.16 -2.85 -0.04 0.00 -0.13 0.00 0.00 32.58 29.40 1rq8 s HIS 49 CO 0.02 -0.22 0.08 0.08 -2.47 0.00 0.00 174.74 172.23 1rq8 s VAL 50 N 2.10 4.98 -0.18 0.89 1.01 -0.33 0.14 120.40 129.01 1rq8 s VAL 50 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1rq8 s VAL 50 Cb -0.16 -3.21 0.19 0.00 0.00 0.00 0.00 36.38 33.20 1rq8 s VAL 50 CO 0.10 0.52 1.61 0.18 0.00 0.00 0.00 175.10 177.52 1rq8 n LEU 51 N 2.91 5.05 -0.04 3.92 7.99 -1.06 -4.05 117.00 131.73 1rq8 n LEU 51 Ca -0.18 -2.55 -0.03 0.00 -0.01 0.00 0.00 56.01 53.25 1rq8 n LEU 51 Cb 0.53 -0.82 -0.14 0.00 -0.11 0.00 0.00 43.42 42.89 1rq8 n LEU 51 CO 0.33 0.89 -0.76 1.67 -1.51 0.00 0.00 177.39 178.01 1rq8 n GLN 52 N 0.30 0.66 -2.49 3.23 -0.06 -1.26 -4.13 117.38 113.62 1rq8 n GLN 52 Ca 0.20 0.05 -0.11 0.00 -2.00 0.00 0.00 57.00 55.14 1rq8 n GLN 52 Cb 0.74 -1.63 -0.00 0.00 -4.06 0.00 0.00 30.24 25.28 1rq8 n GLN 52 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1rq8 n ASN 53 N -2.72 -3.44 -4.42 1.69 3.02 -1.26 -4.85 115.26 103.28 1rq8 n ASN 53 Ca -0.19 0.22 -0.21 0.00 -0.03 0.00 0.00 54.58 54.37 1rq8 n ASN 53 Cb 0.94 -2.95 -0.10 0.00 -0.61 0.00 0.00 39.78 37.06 1rq8 n ASN 53 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rq8 s ASN 54 N -2.06 2.98 -0.03 6.41 -0.87 -1.26 -5.00 114.94 115.11 1rq8 s ASN 54 Ca 0.02 -1.10 -0.00 0.00 -1.57 0.00 0.00 52.86 50.21 1rq8 s ASN 54 Cb -0.01 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.25 41.02 1rq8 s ASN 54 CO 0.02 -0.18 0.00 -0.26 -2.57 0.00 0.00 177.10 174.11 1rq8 h PHE 55 N 2.35 -0.00 0.00 2.20 -1.00 -1.99 -2.91 116.94 115.60 1rq8 h PHE 55 Ca -0.39 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1rq8 h PHE 55 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1rq8 h PHE 55 CO 0.73 -0.00 -0.06 -0.40 -1.61 0.00 0.00 178.31 176.98 1rq8 n ASP 56 N -2.89 0.51 0.04 2.17 5.75 -1.26 -3.12 116.55 117.75 1rq8 n ASP 56 Ca -0.00 0.49 -0.22 0.00 -0.01 0.00 0.00 54.79 55.05 1rq8 n ASP 56 Cb 0.00 -0.60 -0.14 0.00 -1.03 0.00 0.00 41.12 39.35 1rq8 n ASP 56 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1rq8 h ASP 57 N 0.00 0.53 -0.17 -1.12 3.58 -1.97 -3.03 116.42 114.24 1rq8 h ASP 57 Ca 0.00 -0.94 -0.01 0.00 0.42 0.00 0.00 57.03 56.49 1rq8 h ASP 57 Cb 0.65 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1rq8 h ASP 57 CO 0.00 1.82 0.06 0.50 -2.88 0.00 0.00 179.24 178.74 1rq8 h LYS 58 N 0.09 0.26 -0.85 0.28 3.64 -1.57 -2.35 116.57 116.08 1rq8 h LYS 58 Ca -0.38 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 1rq8 h LYS 58 Cb 2.07 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.81 1rq8 h LYS 58 CO 0.14 0.37 0.56 -0.22 -2.27 0.00 0.00 179.45 178.04 1rq8 h LYS 59 N 0.10 1.12 -0.99 1.90 3.64 -1.70 -1.59 116.57 119.05 1rq8 h LYS 59 Ca 0.06 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1rq8 h LYS 59 Cb 0.22 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 31.70 1rq8 h LYS 59 CO -0.00 0.74 0.62 1.49 -2.27 0.00 0.00 179.45 180.03 1rq8 h GLU 60 N 1.15 0.95 -0.86 1.90 4.81 -1.35 0.12 114.58 121.31 1rq8 h GLU 60 Ca 0.31 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1rq8 h GLU 60 Cb -0.13 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 28.96 1rq8 h GLU 60 CO -0.07 0.63 0.51 -0.07 -0.73 0.00 0.00 179.01 179.28 1rq8 h LEU 61 N 0.98 0.76 -1.04 1.64 4.07 -0.76 0.56 115.31 121.52 1rq8 h LEU 61 Ca 0.49 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.52 1rq8 h LEU 61 Cb 0.49 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 1rq8 h LEU 61 CO -0.27 0.45 0.65 0.00 -1.08 0.00 0.00 178.44 178.19 1rq8 h ALA 62 N 1.44 1.34 -1.00 1.53 0.00 -0.66 0.51 119.26 122.42 1rq8 h ALA 62 Ca 0.40 -0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.53 1rq8 h ALA 62 Cb 0.30 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1rq8 h ALA 62 CO -0.22 0.58 0.70 0.93 0.00 0.00 0.00 179.25 181.24 1rq8 h GLU 63 N 1.27 0.15 0.10 0.00 3.07 -0.45 1.91 114.58 120.63 1rq8 h GLU 63 Ca 0.38 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.95 1rq8 h GLU 63 Cb -0.05 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1rq8 h GLU 63 CO -0.11 0.10 -1.38 1.15 -1.40 0.00 0.00 179.01 177.37 1rq8 h THR 64 N 0.15 1.31 0.00 1.13 2.02 -0.82 -3.01 112.91 113.69 1rq8 h THR 64 Ca 0.51 -2.95 -0.02 0.00 0.77 0.00 0.00 66.41 64.71 1rq8 h THR 64 Cb 1.72 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 70.94 1rq8 h THR 64 CO -0.10 0.84 -0.11 -0.07 0.37 0.00 0.00 175.52 176.46 1rq8 h LEU 65 N 0.06 0.00 -1.28 2.58 3.38 0.17 -2.31 115.31 117.91 1rq8 h LEU 65 Ca -0.18 -0.73 0.14 0.00 0.09 0.00 0.00 57.88 57.20 1rq8 h LEU 65 Cb 1.97 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.65 1rq8 h LEU 65 CO 0.17 0.92 0.57 0.28 0.09 0.00 0.00 178.44 180.47 1rq8 h SER 66 N -1.00 0.67 0.70 -0.43 0.02 0.24 1.17 113.55 114.93 1rq8 h SER 66 Ca -0.03 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.77 1rq8 h SER 66 Cb 0.80 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1rq8 h SER 66 CO -0.02 0.35 -0.87 -0.33 -1.14 0.00 0.00 176.83 174.82 1rq8 h GLU 67 N 0.71 0.11 0.00 3.45 4.39 -1.62 -3.17 114.58 118.45 1rq8 h GLU 67 Ca 0.44 -0.12 -0.23 0.00 0.34 0.00 0.00 59.36 59.79 1rq8 h GLU 67 Cb 0.68 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 1rq8 h GLU 67 CO -0.20 0.91 -1.38 0.00 -1.16 0.00 0.00 179.01 177.18 1rq8 h ALA 68 N 1.05 0.64 0.00 3.43 0.00 -0.49 -3.30 119.26 120.59 1rq8 h ALA 68 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1rq8 h ALA 68 Cb 1.51 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1rq8 h ALA 68 CO 0.12 1.29 0.00 0.25 0.00 0.00 0.00 179.25 180.91 1rq8 n THR 69 N -3.10 0.06 -2.14 0.00 -2.24 0.39 -4.86 114.28 102.39 1rq8 n THR 69 Ca -0.10 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1rq8 n THR 69 Cb 0.95 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1rq8 n THR 69 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1rq8 n ARG 70 N -1.19 -1.90 -1.38 -0.78 0.63 -1.20 -4.92 116.66 105.92 1rq8 n ARG 70 Ca 0.16 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 1rq8 n ARG 70 Cb 0.18 -5.21 0.00 0.00 0.45 0.00 0.00 32.46 27.88 1rq8 n ARG 70 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1rq8 n SER 71 N -1.47 1.74 -3.86 6.15 7.64 -1.23 -4.69 113.62 117.90 1rq8 n SER 71 Ca -0.15 -0.74 -0.28 0.00 1.01 0.00 0.00 58.87 58.71 1rq8 n SER 71 Cb 0.57 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.61 1rq8 n SER 71 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1rq8 s GLU 72 N -1.14 1.24 -0.18 1.43 0.41 -0.60 -4.83 118.70 115.03 1rq8 s GLU 72 Ca 0.00 -0.50 -0.28 0.00 -0.41 0.00 0.00 54.97 53.77 1rq8 s GLU 72 Cb 0.00 -2.01 -0.05 0.00 -1.78 0.00 0.00 34.13 30.28 1rq8 s GLU 72 CO 0.00 -0.48 2.10 -1.17 -0.49 0.00 0.00 175.26 175.22 1rq8 s LEU 73 N 1.68 3.65 0.27 1.80 0.20 -1.26 -1.94 118.68 123.08 1rq8 s LEU 73 Ca 0.00 1.96 0.08 0.00 0.69 0.00 0.00 54.13 56.86 1rq8 s LEU 73 Cb -0.16 -3.52 0.35 0.00 -0.43 0.00 0.00 46.19 42.44 1rq8 s LEU 73 CO -0.07 -1.74 1.62 -0.37 -0.29 0.00 0.00 176.35 175.50 1rq8 h VAL 74 N 6.79 1.40 0.00 1.68 -1.51 -1.67 -3.48 116.25 119.45 1rq8 h VAL 74 Ca -0.41 -1.95 0.00 0.00 -1.23 0.00 0.00 66.70 63.11 1rq8 h VAL 74 Cb 1.23 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1rq8 h VAL 74 CO 0.97 0.57 0.00 0.00 -1.23 0.00 0.00 177.57 177.87 1rq8 n GLN 75 N -3.87 -3.08 -3.98 5.19 6.02 -1.16 -4.83 117.38 111.67 1rq8 n GLN 75 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.66 1rq8 n GLN 75 Cb 0.59 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.70 1rq8 n GLN 75 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1rq8 s VAL 76 N -2.00 1.90 -0.67 5.09 1.01 -1.26 -0.28 120.40 124.19 1rq8 s VAL 76 Ca 0.00 -1.74 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 1rq8 s VAL 76 Cb 0.00 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1rq8 s VAL 76 CO 0.00 -0.31 1.23 -0.63 0.00 0.00 0.00 175.10 175.39 1rq8 s ILE 77 N 1.16 3.87 0.00 2.22 1.01 0.48 -4.85 121.20 125.10 1rq8 s ILE 77 Ca 0.01 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1rq8 s ILE 77 Cb -0.19 -4.83 0.00 0.00 0.01 0.00 0.00 42.46 37.45 1rq8 s ILE 77 CO -0.08 -1.64 0.00 0.61 0.00 0.00 0.00 174.94 173.83 1rq8 n GLY 78 N 5.26 2.29 0.86 6.18 0.00 -1.26 0.14 105.19 118.65 1rq8 n GLY 78 Ca 0.05 0.40 0.06 0.00 0.00 0.00 0.00 46.02 46.53 1rq8 n GLY 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rq8 n SER 79 N 6.43 2.48 -4.30 1.61 3.41 -1.26 -4.85 113.62 117.14 1rq8 n SER 79 Ca 0.00 -2.09 -0.31 0.00 -0.26 0.00 0.00 58.87 56.21 1rq8 n SER 79 Cb 0.00 -0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 63.45 1rq8 n SER 79 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1rq8 s MET 80 N -1.54 2.35 -0.24 4.33 1.00 0.36 -1.19 119.30 124.38 1rq8 s MET 80 Ca 0.28 -0.90 -0.07 0.00 0.00 0.00 0.00 55.69 55.00 1rq8 s MET 80 Cb 0.16 -2.12 -0.03 0.00 0.00 0.00 0.00 34.83 32.84 1rq8 s MET 80 CO 0.17 0.48 0.06 0.42 0.00 0.00 0.00 175.02 176.15 1rq8 s ILE 81 N -0.41 4.28 -0.36 2.53 1.01 0.47 0.18 121.20 128.91 1rq8 s ILE 81 Ca 0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.33 1rq8 s ILE 81 Cb -0.12 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1rq8 s ILE 81 CO 0.01 0.36 0.44 -0.69 0.00 0.00 0.00 174.94 175.06 1rq8 s VAL 82 N 1.49 5.08 0.07 2.92 1.01 0.62 0.19 120.40 131.79 1rq8 s VAL 82 Ca 0.06 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.26 1rq8 s VAL 82 Cb -0.15 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1rq8 s VAL 82 CO 0.03 -0.20 -0.23 -0.63 0.00 0.00 0.00 175.10 174.07 1rq8 s ILE 83 N 2.22 1.91 -0.29 2.22 1.01 -0.96 -1.67 121.20 125.64 1rq8 s ILE 83 Ca 0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.37 1rq8 s ILE 83 Cb -0.16 -1.67 0.04 0.00 0.01 0.00 0.00 42.46 40.68 1rq8 s ILE 83 CO 0.13 0.18 -0.02 -0.47 0.00 0.00 0.00 174.94 174.76 1rq8 s TYR 84 N -0.92 3.21 -0.47 3.97 5.04 -0.82 -2.27 117.35 125.09 1rq8 s TYR 84 Ca 0.10 -1.78 -0.17 0.00 -2.44 0.00 0.00 57.07 52.77 1rq8 s TYR 84 Cb -0.10 -2.09 0.06 0.00 0.35 0.00 0.00 41.96 40.18 1rq8 s TYR 84 CO 0.03 -0.78 0.47 0.50 -1.34 0.00 0.00 175.55 174.42 1rq8 s ARG 85 N 1.27 3.04 0.00 4.97 3.00 -0.93 -1.56 118.95 128.73 1rq8 s ARG 85 Ca -0.04 -1.11 0.00 0.00 -1.00 0.00 0.00 55.73 53.58 1rq8 s ARG 85 Cb -0.19 -4.09 0.00 0.00 0.00 0.00 0.00 34.95 30.67 1rq8 s ARG 85 CO -0.02 -1.05 0.00 -0.85 0.00 0.00 0.00 175.30 173.38 1rq8 n GLU 86 N 5.55 0.00 -4.36 5.12 0.28 -1.26 -4.73 120.64 121.24 1rq8 n GLU 86 Ca -0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.69 1rq8 n GLU 86 Cb 0.45 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.19 1rq8 n GLU 86 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1rq8 s SER 87 N -2.19 1.93 0.28 -1.84 0.01 -1.26 -4.81 113.70 105.82 1rq8 s SER 87 Ca 0.00 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1rq8 s SER 87 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1rq8 s SER 87 CO 0.00 0.04 0.00 0.29 0.41 0.00 0.00 173.24 173.98 1rq8 n LYS 88 N 1.64 0.00 -4.06 12.44 4.76 -1.26 -5.06 118.16 126.63 1rq8 n LYS 88 Ca -0.19 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.90 1rq8 n LYS 88 Cb 0.54 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.60 1rq8 n LYS 88 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rq8 s GLU 89 N -2.00 3.54 -0.93 1.97 -1.05 -1.26 -5.00 118.70 113.97 1rq8 s GLU 89 Ca 0.00 -0.56 -0.24 0.00 -0.15 0.00 0.00 54.97 54.03 1rq8 s GLU 89 Cb 0.00 -3.04 -0.20 0.00 -0.44 0.00 0.00 34.13 30.45 1rq8 s GLU 89 CO 0.00 -0.04 2.04 0.09 0.95 0.00 0.00 175.26 178.30 1rq8 n ASN 90 N 4.38 0.98 -1.38 0.83 3.02 -1.26 -4.86 115.26 116.97 1rq8 n ASN 90 Ca -0.17 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 1rq8 n ASN 90 Cb 0.52 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1rq8 n ASN 90 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1rq8 n LYS 91 N 7.80 1.62 -1.87 3.52 4.81 -1.26 -4.95 118.16 127.82 1rq8 n LYS 91 Ca 0.38 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.40 1rq8 n LYS 91 Cb 0.46 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.51 1rq8 n LYS 91 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1rq8 n GLU 92 N -0.69 2.87 -4.61 1.64 1.02 -1.26 -4.91 120.64 114.69 1rq8 n GLU 92 Ca 0.00 -2.70 -0.34 0.00 -0.02 0.00 0.00 57.16 54.10 1rq8 n GLU 92 Cb 0.00 -3.32 -0.11 0.00 -0.02 0.00 0.00 31.44 27.99 1rq8 n GLU 92 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rq8 s ILE 93 N 3.49 3.72 -0.23 -3.67 -1.09 -1.26 -5.10 121.20 117.07 1rq8 s ILE 93 Ca 0.49 -0.47 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1rq8 s ILE 93 Cb 0.12 -2.53 0.05 0.00 -1.58 0.00 0.00 42.46 38.52 1rq8 s ILE 93 CO -0.05 0.59 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.43 1rq8 s GLU 94 N -0.76 2.31 -0.42 2.79 2.12 -1.26 -5.03 118.70 118.46 1rq8 s GLU 94 Ca 0.12 -1.11 0.06 0.00 0.36 0.00 0.00 54.97 54.39 1rq8 s GLU 94 Cb -0.11 -2.71 0.21 0.00 0.26 0.00 0.00 34.13 31.78 1rq8 s GLU 94 CO 0.02 -0.47 0.47 -0.11 -0.54 0.00 0.00 175.26 174.62 1rq8 n LEU 95 N 4.54 -0.61 0.00 2.70 7.94 -1.26 -4.43 117.00 125.88 1rq8 n LEU 95 Ca -0.15 -4.32 0.08 0.00 -1.11 0.00 0.00 56.01 50.50 1rq8 n LEU 95 Cb 0.45 0.62 0.47 0.00 0.53 0.00 0.00 43.42 45.48 1rq8 n LEU 95 CO 0.22 1.95 0.67 -0.81 -1.11 0.00 0.00 177.39 178.31