#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 2.53 0.37 4.03 0.20 -1.26 -5.01 118.68 119.54 1rq8 s LEU 2 Ca 0.00 -0.53 0.07 0.00 0.69 0.00 0.00 54.13 54.36 1rq8 s LEU 2 Cb 0.00 -1.45 -0.07 0.00 -0.43 0.00 0.00 46.19 44.23 1rq8 s LEU 2 CO 0.00 0.23 0.00 0.28 -0.29 0.00 0.00 176.35 176.57 1rq8 s THR 3 N -0.98 1.82 0.19 3.68 -1.32 -1.26 -4.93 115.64 112.83 1rq8 s THR 3 Ca 0.15 -2.04 -0.21 0.00 -1.21 0.00 0.00 61.69 58.38 1rq8 s THR 3 Cb -0.10 -2.86 0.12 0.00 -1.51 0.00 0.00 72.50 68.15 1rq8 s THR 3 CO 0.06 -0.05 1.57 1.23 -2.21 0.00 0.00 174.62 175.22 1rq8 h GLY 4 N 1.92 -0.16 0.59 6.08 0.00 -1.98 1.19 103.07 110.71 1rq8 h GLY 4 Ca -0.43 0.49 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1rq8 h GLY 4 CO 0.76 -0.19 0.02 1.70 0.00 0.00 0.00 176.54 178.83 1rq8 h LYS 5 N -0.14 0.11 -0.23 4.80 3.64 -1.96 0.83 116.57 123.62 1rq8 h LYS 5 Ca 0.24 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1rq8 h LYS 5 Cb 0.56 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1rq8 h LYS 5 CO -0.75 0.07 -0.12 1.96 -2.27 0.00 0.00 179.45 178.34 1rq8 h GLN 6 N 0.11 0.37 -0.16 1.90 4.20 -1.30 -2.81 115.11 117.42 1rq8 h GLN 6 Ca 0.14 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1rq8 h GLN 6 Cb 0.17 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1rq8 h GLN 6 CO -0.21 0.50 -0.15 -0.22 -0.67 0.00 0.00 178.83 178.09 1rq8 h LYS 7 N 0.35 0.38 -0.38 1.46 3.64 0.31 -2.20 116.57 120.14 1rq8 h LYS 7 Ca 0.07 -0.20 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1rq8 h LYS 7 Cb 0.44 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 1rq8 h LYS 7 CO 0.02 0.75 -0.24 -0.09 -2.27 0.00 0.00 179.45 177.63 1rq8 h ARG 8 N 0.03 -0.17 0.23 1.90 2.43 0.87 1.51 114.38 121.18 1rq8 h ARG 8 Ca 0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1rq8 h ARG 8 Cb 0.67 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1rq8 h ARG 8 CO 0.04 -0.11 -0.11 1.88 -1.51 0.00 0.00 179.97 180.15 1rq8 h TYR 9 N -0.18 -0.29 0.12 2.20 -1.99 -1.58 -2.90 116.97 112.35 1rq8 h TYR 9 Ca 0.18 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 1rq8 h TYR 9 Cb 0.46 0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.29 1rq8 h TYR 9 CO -0.46 0.06 -0.06 1.25 -0.00 0.00 0.00 178.16 178.95 1rq8 h LEU 10 N -0.67 -0.13 -1.99 3.88 6.46 -1.09 -2.91 115.31 118.87 1rq8 h LEU 10 Ca -0.03 -0.33 0.25 0.00 -0.12 0.00 0.00 57.88 57.65 1rq8 h LEU 10 Cb 0.47 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1rq8 h LEU 10 CO 0.05 0.28 0.64 0.08 -0.62 0.00 0.00 178.44 178.87 1rq8 h ARG 11 N -0.57 0.00 -0.26 1.25 0.11 0.20 0.20 114.38 115.32 1rq8 h ARG 11 Ca -0.02 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1rq8 h ARG 11 Cb 0.45 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 1rq8 h ARG 11 CO 0.03 0.00 0.03 0.77 0.10 0.00 0.00 179.97 180.90 1rq8 h SER 12 N 0.00 0.42 -0.92 0.08 0.02 -1.31 -2.61 113.55 109.22 1rq8 h SER 12 Ca 0.41 -0.27 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 1rq8 h SER 12 Cb 1.70 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 64.06 1rq8 h SER 12 CO -0.00 0.58 0.59 -0.07 -1.14 0.00 0.00 176.83 176.79 1rq8 h LEU 13 N 0.23 0.84 -1.55 5.07 -0.00 -0.53 -1.45 115.31 117.92 1rq8 h LEU 13 Ca 0.08 0.03 0.33 0.00 -0.00 0.00 0.00 57.88 58.31 1rq8 h LEU 13 Cb 0.35 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.82 1rq8 h LEU 13 CO 0.01 0.49 1.07 0.00 -0.00 0.00 0.00 178.44 180.00 1rq8 h ALA 14 N 1.55 3.02 0.00 1.53 0.00 -1.05 0.45 119.26 124.75 1rq8 h ALA 14 Ca 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1rq8 h ALA 14 Cb 0.42 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rq8 h ALA 14 CO -0.19 -1.65 -0.14 0.45 0.00 0.00 0.00 179.25 177.72 1rq8 h HIS 15 N 0.00 0.00 -0.06 0.00 3.86 -1.38 -3.03 115.15 114.53 1rq8 h HIS 15 Ca 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1rq8 h HIS 15 Cb 2.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 31.13 1rq8 h HIS 15 CO 0.00 0.14 0.00 0.27 0.86 0.00 0.00 177.93 179.20 1rq8 n ASN 16 N -3.49 2.73 -4.98 2.45 0.23 0.16 -5.03 115.26 107.33 1rq8 n ASN 16 Ca -0.01 -3.07 -0.20 0.00 -0.53 0.00 0.00 54.58 50.78 1rq8 n ASN 16 Cb 0.29 -0.46 -0.01 0.00 -2.08 0.00 0.00 39.78 37.53 1rq8 n ASN 16 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1rq8 s ILE 17 N -2.86 4.30 0.05 1.53 -1.09 -1.15 -5.11 121.20 116.87 1rq8 s ILE 17 Ca 0.34 -0.95 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 1rq8 s ILE 17 Cb 0.29 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 1rq8 s ILE 17 CO 0.04 -0.21 -0.12 -0.62 -1.23 0.00 0.00 174.94 172.81 1rq8 s ASP 18 N -4.14 4.28 0.21 3.58 2.15 -1.26 -4.93 116.67 116.55 1rq8 s ASP 18 Ca 0.43 -0.32 -0.24 0.00 0.43 0.00 0.00 52.55 52.85 1rq8 s ASP 18 Cb -0.09 -0.84 -0.08 0.00 -0.30 0.00 0.00 42.92 41.60 1rq8 s ASP 18 CO 0.31 0.24 0.79 -2.16 -0.17 0.00 0.00 175.17 174.18 1rq8 s PRO 19 N -1.71 4.49 0.00 4.34 0.04 -1.25 -4.13 135.00 136.77 1rq8 s PRO 19 Ca 0.18 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1rq8 s PRO 19 Cb -0.11 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1rq8 s PRO 19 CO 0.09 0.48 0.00 -0.89 0.04 0.00 0.00 177.00 176.72 1rq8 n ILE 20 N 1.18 0.00 -4.72 0.56 -0.00 -1.26 -5.04 119.36 110.09 1rq8 n ILE 20 Ca -0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.38 1rq8 n ILE 20 Cb 0.50 0.08 -0.12 0.00 -0.00 0.00 0.00 39.64 40.10 1rq8 n ILE 20 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 1rq8 s PHE 21 N -1.49 2.85 -0.19 1.39 -0.12 -1.26 -5.01 117.98 114.15 1rq8 s PHE 21 Ca 0.00 -0.09 0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1rq8 s PHE 21 Cb 0.00 -1.70 0.03 0.00 -0.63 0.00 0.00 43.02 40.72 1rq8 s PHE 21 CO 0.00 0.24 -0.18 -1.14 -0.05 0.00 0.00 175.22 174.09 1rq8 s GLN 22 N -0.68 2.81 0.35 1.99 0.74 -1.26 -3.06 119.66 120.55 1rq8 s GLN 22 Ca 0.10 -0.88 -0.25 0.00 0.05 0.00 0.00 55.36 54.38 1rq8 s GLN 22 Cb -0.11 -2.57 -0.10 0.00 1.10 0.00 0.00 33.01 31.33 1rq8 s GLN 22 CO 0.01 -0.27 0.97 0.42 -0.55 0.00 0.00 175.29 175.88 1rq8 s ILE 23 N 1.28 4.09 0.94 -2.34 -1.09 0.59 -4.97 121.20 119.71 1rq8 s ILE 23 Ca 0.03 1.65 -0.13 0.00 -2.23 0.00 0.00 60.65 59.97 1rq8 s ILE 23 Cb -0.14 -3.88 0.21 0.00 -1.58 0.00 0.00 42.46 37.07 1rq8 s ILE 23 CO -0.12 0.06 1.28 0.61 -1.23 0.00 0.00 174.94 175.54 1rq8 n GLY 24 N 0.38 -0.99 0.14 6.18 0.00 -1.25 -2.57 105.19 107.07 1rq8 n GLY 24 Ca 0.03 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.30 1rq8 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rq8 h LYS 25 N 0.00 0.00 -0.96 1.61 1.57 -1.97 -3.25 116.57 113.57 1rq8 h LYS 25 Ca -0.41 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.48 1rq8 h LYS 25 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 1rq8 h LYS 25 CO 0.32 0.42 0.61 0.78 -0.57 0.00 0.00 179.45 181.01 1rq8 h GLY 26 N 3.58 1.50 0.00 3.86 0.00 -1.94 -3.42 103.07 106.65 1rq8 h GLY 26 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1rq8 h GLY 26 CO 0.06 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.36 1rq8 n GLY 27 N -1.37 0.03 3.54 4.60 0.00 -1.24 -5.06 105.19 105.69 1rq8 n GLY 27 Ca 0.18 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.84 5.21 0.16 -0.61 1.01 -1.26 -3.96 121.20 117.92 1rq8 s ILE 28 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1rq8 s ILE 28 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1rq8 s ILE 28 CO 0.00 -0.04 0.19 0.20 0.00 0.00 0.00 174.94 175.29 1rq8 s ASN 29 N 1.73 5.79 0.19 3.58 0.01 -1.26 -5.02 114.94 119.96 1rq8 s ASN 29 Ca 0.10 -0.04 -0.09 0.00 -0.71 0.00 0.00 52.86 52.12 1rq8 s ASN 29 Cb -0.17 -1.59 0.09 0.00 0.41 0.00 0.00 41.25 39.99 1rq8 s ASN 29 CO 0.11 0.06 1.68 -0.08 -1.51 0.00 0.00 177.10 177.36 1rq8 h GLU 30 N 2.28 1.08 -1.00 -0.60 4.81 -1.98 -2.13 114.58 117.04 1rq8 h GLU 30 Ca -0.48 -0.29 0.24 0.00 -0.13 0.00 0.00 59.36 58.70 1rq8 h GLU 30 Cb 1.20 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.36 1rq8 h GLU 30 CO 0.65 0.99 0.64 -2.95 -0.73 0.00 0.00 179.01 177.61 1rq8 h ASN 31 N 1.00 0.51 -0.17 1.04 7.08 -1.99 1.79 115.58 124.84 1rq8 h ASN 31 Ca 0.20 0.08 -0.21 0.00 -3.08 0.00 0.00 56.30 53.29 1rq8 h ASN 31 Cb 0.43 -0.01 0.01 0.00 -2.08 0.00 0.00 38.32 36.67 1rq8 h ASN 31 CO 0.01 0.14 -0.70 0.24 -2.08 0.00 0.00 177.43 175.04 1rq8 h MET 32 N 0.47 0.80 0.00 4.14 2.86 -1.79 -2.92 114.93 118.49 1rq8 h MET 32 Ca 0.57 -0.60 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1rq8 h MET 32 Cb 1.32 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.07 1rq8 h MET 32 CO -0.30 1.22 -0.49 0.82 1.06 0.00 0.00 176.91 179.22 1rq8 h ILE 33 N 0.57 1.28 -0.62 -1.22 2.04 0.11 -1.66 117.51 118.01 1rq8 h ILE 33 Ca -0.03 -1.74 0.10 0.00 1.00 0.00 0.00 64.86 64.19 1rq8 h ILE 33 Cb 1.32 1.96 -0.07 0.00 -0.74 0.00 0.00 36.82 39.28 1rq8 h ILE 33 CO 0.15 0.48 0.23 0.11 0.00 0.00 0.00 178.15 179.12 1rq8 h LYS 34 N 0.00 0.40 0.25 2.37 1.79 0.25 1.75 116.57 123.39 1rq8 h LYS 34 Ca -0.00 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1rq8 h LYS 34 Cb 0.92 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1rq8 h LYS 34 CO 0.06 0.27 -0.12 0.37 -1.08 0.00 0.00 179.45 178.95 1rq8 h GLN 35 N 0.41 -0.32 -0.91 3.15 4.15 -1.43 -2.78 115.11 117.39 1rq8 h GLN 35 Ca 0.31 0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.96 1rq8 h GLN 35 Cb 0.39 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 1rq8 h GLN 35 CO -0.31 0.01 0.60 0.82 -1.93 0.00 0.00 178.83 178.02 1rq8 h ILE 36 N -0.71 0.67 -0.06 2.39 2.04 -0.34 0.18 117.51 121.68 1rq8 h ILE 36 Ca -0.03 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1rq8 h ILE 36 Cb 0.48 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1rq8 h ILE 36 CO 0.06 0.07 -0.39 -0.78 0.00 0.00 0.00 178.15 177.11 1rq8 h ASP 37 N 0.40 -1.18 0.03 1.72 1.82 0.29 0.90 116.42 120.40 1rq8 h ASP 37 Ca 0.47 0.15 -0.25 0.00 -0.39 0.00 0.00 57.03 57.02 1rq8 h ASP 37 Cb 1.19 0.48 0.02 0.00 0.68 0.00 0.00 39.33 41.69 1rq8 h ASP 37 CO -0.18 -0.42 -0.97 -0.78 -1.61 0.00 0.00 179.24 175.28 1rq8 h ASP 38 N -0.50 0.85 0.08 2.28 1.82 -1.21 -1.14 116.42 118.60 1rq8 h ASP 38 Ca 0.07 -0.65 0.01 0.00 -0.39 0.00 0.00 57.03 56.06 1rq8 h ASP 38 Cb 0.61 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1rq8 h ASP 38 CO -0.34 1.45 -0.12 0.74 -1.61 0.00 0.00 179.24 179.36 1rq8 h THR 39 N 0.40 0.71 0.00 2.25 2.02 -0.25 -1.06 112.91 116.97 1rq8 h THR 39 Ca -0.11 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1rq8 h THR 39 Cb 1.62 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1rq8 h THR 39 CO 0.19 0.00 -0.69 0.17 0.37 0.00 0.00 175.52 175.56 1rq8 h LEU 40 N -0.25 0.00 -0.34 2.58 8.10 0.75 -2.91 115.31 123.25 1rq8 h LEU 40 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.01 1rq8 h LEU 40 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1rq8 h LEU 40 CO -0.07 0.69 0.00 1.21 -4.11 0.00 0.00 178.44 176.16 1rq8 n GLU 41 N -3.62 0.11 -0.09 0.17 2.13 -0.43 -3.02 120.64 115.90 1rq8 n GLU 41 Ca -0.01 0.31 -0.13 0.00 0.66 0.00 0.00 57.16 58.00 1rq8 n GLU 41 Cb 0.70 -1.70 -0.14 0.00 0.27 0.00 0.00 31.44 30.56 1rq8 n GLU 41 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1rq8 n ASN 42 N -1.92 0.93 -2.91 4.31 5.15 -0.44 -5.00 115.26 115.39 1rq8 n ASN 42 Ca 0.03 0.04 -0.09 0.00 -0.60 0.00 0.00 54.58 53.96 1rq8 n ASN 42 Cb 0.23 0.24 -0.01 0.00 -0.53 0.00 0.00 39.78 39.71 1rq8 n ASN 42 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rq8 n ARG 43 N -3.02 1.37 -0.05 1.20 5.12 -1.14 -5.07 116.66 115.07 1rq8 n ARG 43 Ca -0.34 -1.16 -0.06 0.00 -1.93 0.00 0.00 57.85 54.36 1rq8 n ARG 43 Cb 1.08 0.20 -0.06 0.00 -1.16 0.00 0.00 32.46 32.52 1rq8 n ARG 43 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1rq8 n GLU 44 N -0.73 1.65 -4.19 5.56 -0.58 -1.26 -4.82 120.64 116.26 1rq8 n GLU 44 Ca -0.03 0.02 -0.34 0.00 -0.42 0.00 0.00 57.16 56.39 1rq8 n GLU 44 Cb 0.21 -1.22 -0.12 0.00 -0.57 0.00 0.00 31.44 29.75 1rq8 n GLU 44 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1rq8 s LEU 45 N -5.04 3.42 -0.23 -4.62 2.96 -1.26 -2.73 118.68 111.19 1rq8 s LEU 45 Ca -0.08 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1rq8 s LEU 45 Cb 0.03 -1.85 0.06 0.00 0.50 0.00 0.00 46.19 44.93 1rq8 s LEU 45 CO 0.31 0.14 -0.06 0.27 -1.32 0.00 0.00 176.35 175.68 1rq8 s ILE 46 N 0.56 1.54 -0.49 6.68 -4.36 -0.95 -4.89 121.20 119.28 1rq8 s ILE 46 Ca -0.00 -1.17 -0.22 0.00 -0.26 0.00 0.00 60.65 58.99 1rq8 s ILE 46 Cb -0.14 -1.77 0.04 0.00 1.25 0.00 0.00 42.46 41.84 1rq8 s ILE 46 CO 0.02 -0.05 0.78 -0.54 0.24 0.00 0.00 174.94 175.39 1rq8 s LYS 47 N 1.40 3.31 -0.13 0.37 -0.14 -1.26 -2.93 119.74 120.37 1rq8 s LYS 47 Ca -0.05 -0.34 -0.06 0.00 -1.36 0.00 0.00 55.97 54.15 1rq8 s LYS 47 Cb -0.18 -4.01 -0.04 0.00 -1.68 0.00 0.00 37.83 31.92 1rq8 s LYS 47 CO -0.06 -1.24 0.11 0.08 -0.76 0.00 0.00 175.35 173.48 1rq8 s VAL 48 N 3.30 5.25 -0.16 3.17 1.01 -0.14 -3.85 120.40 128.98 1rq8 s VAL 48 Ca 0.26 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 1rq8 s VAL 48 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1rq8 s VAL 48 CO 0.19 0.59 0.47 -2.28 0.00 0.00 0.00 175.10 174.07 1rq8 s HIS 49 N -0.80 3.45 -0.15 5.22 2.46 -1.17 0.17 115.29 124.46 1rq8 s HIS 49 Ca 0.13 0.81 -0.03 0.00 0.47 0.00 0.00 55.06 56.44 1rq8 s HIS 49 Cb -0.12 -2.58 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 1rq8 s HIS 49 CO 0.03 0.07 -0.05 0.08 -2.47 0.00 0.00 174.74 172.39 1rq8 s VAL 50 N 1.01 3.75 -0.44 0.89 1.01 -0.13 -0.30 120.40 126.18 1rq8 s VAL 50 Ca 0.24 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1rq8 s VAL 50 Cb -0.15 -2.64 0.32 0.00 0.00 0.00 0.00 36.38 33.91 1rq8 s VAL 50 CO 0.09 0.50 1.21 0.18 0.00 0.00 0.00 175.10 177.08 1rq8 n LEU 51 N 3.57 3.78 0.20 3.92 7.99 -1.06 -4.18 117.00 131.23 1rq8 n LEU 51 Ca -0.17 -1.95 0.14 0.00 -0.01 0.00 0.00 56.01 54.01 1rq8 n LEU 51 Cb 0.52 -0.61 0.44 0.00 -0.11 0.00 0.00 43.42 43.66 1rq8 n LEU 51 CO 0.32 0.57 0.89 -0.61 -1.51 0.00 0.00 177.39 177.05 1rq8 h GLN 52 N 1.10 0.00 0.00 3.23 5.75 -1.82 -3.33 115.11 120.04 1rq8 h GLN 52 Ca 0.13 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1rq8 h GLN 52 Cb 1.46 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.01 1rq8 h GLN 52 CO 0.34 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.61 1rq8 n ASN 53 N -2.80 0.00 -4.68 -0.69 5.03 -1.26 -4.87 115.26 105.99 1rq8 n ASN 53 Ca 0.03 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.12 1rq8 n ASN 53 Cb 0.39 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.24 1rq8 n ASN 53 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1rq8 n ASN 54 N 1.14 1.22 -0.00 6.41 2.85 -1.26 -4.91 115.26 120.70 1rq8 n ASN 54 Ca 0.00 0.71 -0.00 0.00 -0.11 0.00 0.00 54.58 55.18 1rq8 n ASN 54 Cb 0.00 -1.49 -0.00 0.00 1.24 0.00 0.00 39.78 39.53 1rq8 n ASN 54 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1rq8 h PHE 55 N -0.13 0.00 -0.25 1.20 0.04 -1.99 -2.50 116.94 113.31 1rq8 h PHE 55 Ca -0.48 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.36 1rq8 h PHE 55 Cb 1.33 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 1rq8 h PHE 55 CO 0.42 0.00 0.41 -0.44 -0.60 0.00 0.00 178.31 178.10 1rq8 h ASP 56 N -0.06 0.00 0.30 2.17 5.19 -2.01 0.29 116.42 122.30 1rq8 h ASP 56 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 1rq8 h ASP 56 Cb 0.00 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.54 1rq8 h ASP 56 CO 0.00 0.00 -1.32 -0.78 -3.12 0.00 0.00 179.24 174.02 1rq8 h ASP 57 N 0.00 0.75 -0.87 6.45 1.82 -1.96 -3.01 116.42 119.59 1rq8 h ASP 57 Ca 0.12 -0.75 0.05 0.00 -0.39 0.00 0.00 57.03 56.06 1rq8 h ASP 57 Cb 0.95 -0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.66 1rq8 h ASP 57 CO -0.00 1.57 0.55 0.50 -1.61 0.00 0.00 179.24 180.25 1rq8 h LYS 58 N 0.18 1.00 -0.80 0.28 3.64 0.05 -0.48 116.57 120.44 1rq8 h LYS 58 Ca -0.20 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1rq8 h LYS 58 Cb 2.01 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 33.56 1rq8 h LYS 58 CO 0.24 0.66 0.36 -0.22 -2.27 0.00 0.00 179.45 178.22 1rq8 h LYS 59 N 1.03 1.16 -1.00 1.90 3.11 -1.51 -2.06 116.57 119.20 1rq8 h LYS 59 Ca 0.37 -0.18 0.06 0.00 -2.81 0.00 0.00 60.65 58.09 1rq8 h LYS 59 Cb 0.12 -0.20 -0.07 0.00 -1.00 0.00 0.00 32.23 31.08 1rq8 h LYS 59 CO -0.16 0.91 0.65 1.49 -2.81 0.00 0.00 179.45 179.54 1rq8 h GLU 60 N 1.15 1.15 -0.07 1.90 4.57 -0.97 -1.67 114.58 120.64 1rq8 h GLU 60 Ca 0.27 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1rq8 h GLU 60 Cb 0.15 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1rq8 h GLU 60 CO -0.03 0.76 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.38 1rq8 h LEU 61 N 1.19 -0.35 -1.95 1.64 4.07 -0.71 0.27 115.31 119.47 1rq8 h LEU 61 Ca 0.43 0.06 0.17 0.00 0.08 0.00 0.00 57.88 58.62 1rq8 h LEU 61 Cb 0.15 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1rq8 h LEU 61 CO -0.17 -0.16 0.53 0.00 -1.08 0.00 0.00 178.44 177.56 1rq8 h ALA 62 N 0.87 2.39 -0.88 1.53 0.00 -1.17 1.68 119.26 123.67 1rq8 h ALA 62 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rq8 h ALA 62 Cb 0.26 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1rq8 h ALA 62 CO -0.17 -0.83 0.57 1.49 0.00 0.00 0.00 179.25 180.32 1rq8 h GLU 63 N 0.00 1.09 0.13 0.00 4.22 -0.08 1.46 114.58 121.41 1rq8 h GLU 63 Ca 0.28 -0.07 -0.36 0.00 0.08 0.00 0.00 59.36 59.29 1rq8 h GLU 63 Cb 1.32 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1rq8 h GLU 63 CO -0.00 0.72 -1.93 1.15 -2.18 0.00 0.00 179.01 176.77 1rq8 h THR 64 N 1.13 0.68 0.13 0.32 2.02 0.48 -3.09 112.91 114.59 1rq8 h THR 64 Ca 0.34 -2.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.16 1rq8 h THR 64 Cb -0.03 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1rq8 h THR 64 CO -0.10 0.88 -0.06 -0.07 0.37 0.00 0.00 175.52 176.53 1rq8 h LEU 65 N 0.03 -0.15 -0.22 2.58 3.38 0.23 0.32 115.31 121.48 1rq8 h LEU 65 Ca -0.41 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1rq8 h LEU 65 Cb 2.02 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 1rq8 h LEU 65 CO 0.09 0.16 0.11 -1.28 0.09 0.00 0.00 178.44 177.62 1rq8 h SER 66 N -0.46 0.18 -0.38 -0.43 0.87 0.19 1.14 113.55 114.66 1rq8 h SER 66 Ca -0.02 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1rq8 h SER 66 Cb 0.37 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1rq8 h SER 66 CO 0.03 0.13 0.06 -0.33 -0.53 0.00 0.00 176.83 176.19 1rq8 h GLU 67 N 0.24 0.71 0.00 2.24 4.39 -1.50 -2.54 114.58 118.13 1rq8 h GLU 67 Ca 0.09 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 1rq8 h GLU 67 Cb 0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1rq8 h GLU 67 CO -0.06 0.69 -0.64 0.00 -1.16 0.00 0.00 179.01 177.85 1rq8 h ALA 68 N 1.38 0.65 -0.04 3.43 0.00 0.26 -3.18 119.26 121.77 1rq8 h ALA 68 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rq8 h ALA 68 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rq8 h ALA 68 CO 0.01 0.68 0.00 0.25 0.00 0.00 0.00 179.25 180.19 1rq8 n THR 69 N -3.19 0.04 -2.16 0.00 -2.24 0.39 -4.85 114.28 102.27 1rq8 n THR 69 Ca 0.01 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1rq8 n THR 69 Cb 0.76 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 1rq8 n THR 69 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rq8 n ARG 70 N -0.55 -1.91 -4.23 -0.78 1.74 -1.09 -4.90 116.66 104.94 1rq8 n ARG 70 Ca 0.14 0.71 -0.13 0.00 -0.77 0.00 0.00 57.85 57.80 1rq8 n ARG 70 Cb 0.12 -5.23 -0.10 0.00 -1.02 0.00 0.00 32.46 26.23 1rq8 n ARG 70 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1rq8 s SER 71 N -2.07 1.60 -0.13 0.55 0.01 -1.10 -3.91 113.70 108.65 1rq8 s SER 71 Ca 0.00 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.20 1rq8 s SER 71 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1rq8 s SER 71 CO 0.00 -0.37 0.08 -1.61 0.41 0.00 0.00 173.24 171.76 1rq8 s GLU 72 N -3.74 3.49 0.21 12.44 8.01 -1.13 -4.37 118.70 133.61 1rq8 s GLU 72 Ca 0.15 -0.26 -0.32 0.00 0.01 0.00 0.00 54.97 54.55 1rq8 s GLU 72 Cb 0.03 -3.10 -0.12 0.00 -4.31 0.00 0.00 34.13 26.62 1rq8 s GLU 72 CO -0.01 0.61 1.67 -0.11 0.01 0.00 0.00 175.26 177.44 1rq8 n LEU 73 N 2.48 3.85 -0.06 1.80 0.00 -1.26 -2.29 117.00 121.51 1rq8 n LEU 73 Ca -0.19 1.08 -0.04 0.00 0.00 0.00 0.00 56.01 56.86 1rq8 n LEU 73 Cb 0.54 -1.55 -0.16 0.00 0.00 0.00 0.00 43.42 42.26 1rq8 n LEU 73 CO 0.32 0.07 -0.97 0.52 0.00 0.00 0.00 177.39 177.33 1rq8 n VAL 74 N 3.59 1.05 0.00 1.96 0.31 0.12 -4.86 118.33 120.51 1rq8 n VAL 74 Ca 0.15 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1rq8 n VAL 74 Cb 0.34 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1rq8 n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rq8 n GLN 75 N -2.66 0.00 -3.93 5.55 6.02 0.15 -4.69 117.38 117.83 1rq8 n GLN 75 Ca -0.23 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.45 1rq8 n GLN 75 Cb 0.99 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 32.09 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 1.53 -0.53 5.09 1.01 -1.26 0.29 120.40 124.53 1rq8 s VAL 76 Ca 0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 1rq8 s VAL 76 Cb 0.00 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.61 1rq8 s VAL 76 CO 0.00 -0.18 0.61 -0.63 0.00 0.00 0.00 175.10 174.90 1rq8 s ILE 77 N 1.38 4.93 0.00 2.22 1.09 0.44 -4.90 121.20 126.36 1rq8 s ILE 77 Ca -0.03 -0.83 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 1rq8 s ILE 77 Cb -0.19 -4.35 0.00 0.00 -1.06 0.00 0.00 42.46 36.87 1rq8 s ILE 77 CO -0.08 -0.89 0.00 0.61 -0.10 0.00 0.00 174.94 174.48 1rq8 n GLY 78 N 5.22 2.84 1.02 6.18 0.00 -1.26 0.15 105.19 119.34 1rq8 n GLY 78 Ca -0.09 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1rq8 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rq8 n SER 79 N 5.64 2.87 -4.28 1.61 7.64 -1.26 -4.84 113.62 120.99 1rq8 n SER 79 Ca 0.00 -2.32 -0.30 0.00 1.01 0.00 0.00 58.87 57.26 1rq8 n SER 79 Cb 0.00 -0.49 -0.16 0.00 -1.01 0.00 0.00 64.21 62.55 1rq8 n SER 79 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1rq8 s MET 80 N -1.75 1.98 -0.22 1.43 1.00 0.39 -0.96 119.30 121.17 1rq8 s MET 80 Ca 0.25 -0.87 -0.07 0.00 0.00 0.00 0.00 55.69 55.00 1rq8 s MET 80 Cb 0.18 -1.91 -0.03 0.00 0.00 0.00 0.00 34.83 33.06 1rq8 s MET 80 CO 0.10 0.52 0.05 0.42 0.00 0.00 0.00 175.02 176.11 1rq8 s ILE 81 N -0.56 4.38 -0.39 2.53 1.01 0.44 0.17 121.20 128.78 1rq8 s ILE 81 Ca 0.09 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1rq8 s ILE 81 Cb -0.09 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.37 1rq8 s ILE 81 CO -0.01 0.39 0.52 -0.69 0.00 0.00 0.00 174.94 175.15 1rq8 s VAL 82 N 1.13 4.99 0.09 2.92 1.01 0.84 -0.97 120.40 130.42 1rq8 s VAL 82 Ca 0.04 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1rq8 s VAL 82 Cb -0.14 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1rq8 s VAL 82 CO 0.03 -0.35 -0.11 -0.63 0.00 0.00 0.00 175.10 174.04 1rq8 s ILE 83 N 2.42 1.02 -0.27 2.22 1.01 -1.15 0.34 121.20 126.79 1rq8 s ILE 83 Ca 0.18 -1.56 -0.00 0.00 0.00 0.00 0.00 60.65 59.27 1rq8 s ILE 83 Cb -0.16 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.07 1rq8 s ILE 83 CO 0.15 -0.46 -0.06 -0.47 0.00 0.00 0.00 174.94 174.10 1rq8 s TYR 84 N -2.10 3.20 0.29 3.97 5.04 -0.97 -2.23 117.35 124.55 1rq8 s TYR 84 Ca 0.04 -1.95 -0.28 0.00 -2.44 0.00 0.00 57.07 52.43 1rq8 s TYR 84 Cb -0.05 -2.03 -0.09 0.00 0.35 0.00 0.00 41.96 40.14 1rq8 s TYR 84 CO 0.01 -0.81 1.00 -0.98 -1.34 0.00 0.00 175.55 173.42 1rq8 s ARG 85 N 1.22 4.66 0.94 4.97 1.04 -1.10 -2.82 118.95 127.85 1rq8 s ARG 85 Ca -0.05 1.54 -0.24 0.00 -1.04 0.00 0.00 55.73 55.94 1rq8 s ARG 85 Cb -0.19 -3.06 -0.18 0.00 -2.04 0.00 0.00 34.95 29.48 1rq8 s ARG 85 CO -0.04 0.30 -1.34 -0.85 -0.04 0.00 0.00 175.30 173.33 1rq8 n GLU 86 N 1.01 0.00 -3.81 3.89 0.28 -1.25 -4.93 120.64 115.84 1rq8 n GLU 86 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1rq8 n GLU 86 Cb 0.47 -0.94 -0.05 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.94 6.45 0.00 -1.84 0.01 -1.26 -4.93 113.70 111.19 1rq8 s SER 87 Ca 0.35 0.49 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1rq8 s SER 87 Cb 0.05 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1rq8 s SER 87 CO 0.65 0.26 0.00 0.29 0.41 0.00 0.00 173.24 174.85 1rq8 n LYS 88 N 1.06 0.00 -3.68 12.44 5.02 -1.26 -5.04 118.16 126.70 1rq8 n LYS 88 Ca -0.11 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.81 1rq8 n LYS 88 Cb 0.53 -0.02 -0.11 0.00 -0.02 0.00 0.00 35.03 35.41 1rq8 n LYS 88 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1rq8 s GLU 89 N -1.95 3.92 -0.83 1.97 2.02 -1.26 -4.98 118.70 117.59 1rq8 s GLU 89 Ca 0.00 -0.34 -0.21 0.00 0.02 0.00 0.00 54.97 54.44 1rq8 s GLU 89 Cb 0.00 -3.52 -0.19 0.00 0.10 0.00 0.00 34.13 30.53 1rq8 s GLU 89 CO 0.00 -0.08 2.12 0.27 0.02 0.00 0.00 175.26 177.60 1rq8 n ASN 90 N 4.69 0.75 -4.94 -0.19 0.23 -1.26 -4.88 115.26 109.66 1rq8 n ASN 90 Ca -0.15 -1.67 -0.25 0.00 -0.53 0.00 0.00 54.58 51.98 1rq8 n ASN 90 Cb 0.52 -1.41 -0.02 0.00 -2.08 0.00 0.00 39.78 36.79 1rq8 n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1rq8 s LYS 91 N 8.10 3.49 -1.00 -3.83 -0.14 -1.26 -4.94 119.74 120.17 1rq8 s LYS 91 Ca 0.85 -0.43 -0.25 0.00 -1.36 0.00 0.00 55.97 54.78 1rq8 s LYS 91 Cb -0.19 -2.78 -0.19 0.00 -1.68 0.00 0.00 37.83 32.99 1rq8 s LYS 91 CO 0.18 0.30 1.98 -1.91 -0.76 0.00 0.00 175.35 175.14 1rq8 n GLU 92 N -1.29 0.80 -4.37 1.68 2.13 -1.26 -4.86 120.64 113.47 1rq8 n GLU 92 Ca -0.06 -1.95 -0.33 0.00 0.66 0.00 0.00 57.16 55.48 1rq8 n GLU 92 Cb 0.55 -3.64 -0.09 0.00 0.27 0.00 0.00 31.44 28.53 1rq8 n GLU 92 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1rq8 s ILE 93 N 12.94 4.05 -0.06 6.31 -1.09 -1.26 -5.11 121.20 136.97 1rq8 s ILE 93 Ca 0.73 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 58.57 1rq8 s ILE 93 Cb 0.00 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 1rq8 s ILE 93 CO 0.18 0.45 0.11 -1.83 -1.23 0.00 0.00 174.94 172.62 1rq8 s GLU 94 N -1.32 3.28 -0.39 2.79 1.03 -1.26 -5.02 118.70 117.81 1rq8 s GLU 94 Ca 0.17 -0.30 0.00 0.00 0.03 0.00 0.00 54.97 54.87 1rq8 s GLU 94 Cb -0.11 -3.03 0.25 0.00 -0.80 0.00 0.00 34.13 30.44 1rq8 s GLU 94 CO 0.07 0.71 1.08 -0.11 -1.33 0.00 0.00 175.26 175.68 1rq8 n LEU 95 N 1.57 -1.95 0.00 1.83 -0.00 -1.26 -4.66 117.00 112.54 1rq8 n LEU 95 Ca -0.16 -2.18 0.05 0.00 -0.00 0.00 0.00 56.01 53.72 1rq8 n LEU 95 Cb 0.54 0.65 0.29 0.00 -0.00 0.00 0.00 43.42 44.90 1rq8 n LEU 95 CO 0.35 1.66 0.52 -0.81 -0.00 0.00 0.00 177.39 179.11