#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 4.39 0.37 4.03 0.20 -1.26 -4.97 118.68 121.44 1rq8 s LEU 2 Ca 0.00 1.55 0.07 0.00 0.69 0.00 0.00 54.13 56.44 1rq8 s LEU 2 Cb 0.00 -3.42 -0.07 0.00 -0.43 0.00 0.00 46.19 42.27 1rq8 s LEU 2 CO 0.00 -0.16 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.01 1rq8 s THR 3 N 0.64 1.83 0.39 3.68 2.01 -1.26 -4.95 115.64 117.99 1rq8 s THR 3 Ca 0.46 -2.05 0.22 0.00 0.31 0.00 0.00 61.69 60.63 1rq8 s THR 3 Cb -0.21 -2.83 0.41 0.00 0.01 0.00 0.00 72.50 69.88 1rq8 s THR 3 CO 0.25 -0.07 1.65 1.23 -0.69 0.00 0.00 174.62 177.00 1rq8 h GLY 4 N 1.94 1.64 1.06 4.40 0.00 -2.00 0.32 103.07 110.43 1rq8 h GLY 4 Ca -0.43 -0.17 -0.20 0.00 0.00 0.00 0.00 47.33 46.54 1rq8 h GLY 4 CO 0.75 -0.43 -0.69 1.70 0.00 0.00 0.00 176.54 177.88 1rq8 h LYS 5 N 0.20 0.69 -0.96 4.80 3.64 -2.00 -3.09 116.57 119.85 1rq8 h LYS 5 Ca 0.76 -0.57 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1rq8 h LYS 5 Cb 2.08 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.97 1rq8 h LYS 5 CO -0.50 1.18 0.63 1.96 -2.27 0.00 0.00 179.45 180.46 1rq8 h GLN 6 N 0.37 1.20 -0.30 1.90 7.50 -0.79 -2.07 115.11 122.92 1rq8 h GLN 6 Ca -0.05 -0.07 0.07 0.00 0.50 0.00 0.00 58.65 59.10 1rq8 h GLN 6 Cb 1.33 -0.27 -0.07 0.00 0.05 0.00 0.00 27.48 28.51 1rq8 h GLN 6 CO 0.14 0.79 -0.18 -0.22 -1.50 0.00 0.00 178.83 177.87 1rq8 h LYS 7 N 1.24 -0.14 0.06 1.46 3.64 -1.21 0.19 116.57 121.82 1rq8 h LYS 7 Ca 0.38 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.79 1rq8 h LYS 7 Cb -0.03 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1rq8 h LYS 7 CO -0.11 -0.09 -0.35 -0.09 -2.27 0.00 0.00 179.45 176.54 1rq8 h ARG 8 N -0.14 -0.52 0.37 1.90 2.43 -1.30 1.37 114.38 118.49 1rq8 h ARG 8 Ca 0.16 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1rq8 h ARG 8 Cb 0.38 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1rq8 h ARG 8 CO -0.39 -0.35 -0.18 1.88 -1.51 0.00 0.00 179.97 179.42 1rq8 h TYR 9 N -0.54 -0.46 -0.43 2.20 0.05 -1.32 -3.14 116.97 113.33 1rq8 h TYR 9 Ca 0.04 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 1rq8 h TYR 9 Cb 0.60 0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 1rq8 h TYR 9 CO -0.34 -0.20 -0.07 1.25 -1.05 0.00 0.00 178.16 177.75 1rq8 h LEU 10 N -0.65 0.71 -0.96 3.88 6.46 -0.52 -2.77 115.31 121.48 1rq8 h LEU 10 Ca -0.05 -0.19 0.15 0.00 -0.12 0.00 0.00 57.88 57.67 1rq8 h LEU 10 Cb 0.47 -0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 40.11 1rq8 h LEU 10 CO 0.08 0.82 0.57 -0.09 -0.62 0.00 0.00 178.44 179.21 1rq8 h ARG 11 N 0.67 0.79 -0.10 1.25 1.12 0.19 -0.37 114.38 117.93 1rq8 h ARG 11 Ca 0.12 -0.05 -0.18 0.00 -1.11 0.00 0.00 59.98 58.76 1rq8 h ARG 11 Cb 0.52 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1rq8 h ARG 11 CO 0.03 0.53 -0.71 1.03 -3.11 0.00 0.00 179.97 177.73 1rq8 h SER 12 N 0.82 0.55 -0.29 -3.80 0.87 -1.45 -3.27 113.55 106.98 1rq8 h SER 12 Ca 0.51 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1rq8 h SER 12 Cb 0.66 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1rq8 h SER 12 CO -0.33 1.09 0.03 -0.07 -0.53 0.00 0.00 176.83 177.03 1rq8 h LEU 13 N 0.33 -0.05 0.00 2.23 -0.00 -0.82 -0.77 115.31 116.24 1rq8 h LEU 13 Ca -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1rq8 h LEU 13 Cb 1.28 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 1rq8 h LEU 13 CO 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 178.44 178.58 1rq8 n ALA 14 N -2.38 2.13 -0.05 1.53 0.00 -0.97 -3.59 120.51 117.17 1rq8 n ALA 14 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1rq8 n ALA 14 Cb 0.14 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1rq8 n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rq8 h HIS 15 N 0.00 0.45 -0.18 0.00 6.17 -1.18 -3.20 115.15 117.20 1rq8 h HIS 15 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 60.93 1rq8 h HIS 15 Cb 0.05 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 29.89 1rq8 h HIS 15 CO 0.00 0.80 0.00 -1.71 0.71 0.00 0.00 177.93 177.73 1rq8 n ASN 16 N -4.52 1.84 -4.77 3.26 5.15 -1.24 -4.91 115.26 110.08 1rq8 n ASN 16 Ca -0.07 -1.74 -0.23 0.00 -0.60 0.00 0.00 54.58 51.95 1rq8 n ASN 16 Cb 0.40 -0.12 0.09 0.00 -0.53 0.00 0.00 39.78 39.62 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 -1.77 2.20 0.02 -1.44 1.01 -1.21 -5.09 121.20 114.93 1rq8 s ILE 17 Ca 0.33 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1rq8 s ILE 17 Cb 0.18 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1rq8 s ILE 17 CO 0.27 0.00 0.15 -1.81 0.00 0.00 0.00 174.94 173.54 1rq8 s ASP 18 N -4.69 6.06 0.05 3.58 1.01 -1.26 -4.99 116.67 116.43 1rq8 s ASP 18 Ca 0.64 0.22 -0.30 0.00 0.71 0.00 0.00 52.55 53.82 1rq8 s ASP 18 Cb -0.06 -1.82 -0.08 0.00 1.01 0.00 0.00 42.92 41.97 1rq8 s ASP 18 CO 0.43 0.23 1.74 -2.16 0.21 0.00 0.00 175.17 175.61 1rq8 s PRO 19 N -2.11 4.17 0.25 8.23 0.04 -1.26 -4.19 135.00 140.14 1rq8 s PRO 19 Ca 0.29 2.40 -0.06 0.00 0.04 0.00 0.00 61.00 63.66 1rq8 s PRO 19 Cb -0.12 -3.76 0.46 0.00 0.04 0.00 0.00 34.50 31.12 1rq8 s PRO 19 CO 0.20 -0.81 1.62 0.97 0.04 0.00 0.00 177.00 179.03 1rq8 h ILE 20 N 5.05 0.28 -3.13 0.56 2.10 0.21 -3.44 117.51 119.14 1rq8 h ILE 20 Ca -0.44 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 65.46 1rq8 h ILE 20 Cb 1.21 0.20 -0.11 0.00 -1.09 0.00 0.00 36.82 37.03 1rq8 h ILE 20 CO 0.94 0.01 0.13 -0.36 -1.08 0.00 0.00 178.15 177.79 1rq8 s PHE 21 N -6.12 -0.33 -0.13 2.19 0.08 -1.26 -4.91 117.98 107.51 1rq8 s PHE 21 Ca -0.14 0.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.94 1rq8 s PHE 21 Cb 0.23 0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 43.16 1rq8 s PHE 21 CO 0.76 -0.90 -0.08 -0.65 -0.10 0.00 0.00 175.22 174.24 1rq8 s GLN 22 N -3.81 3.37 0.26 0.44 -0.21 -1.26 -1.85 119.66 116.61 1rq8 s GLN 22 Ca 0.05 -0.60 -0.16 0.00 0.02 0.00 0.00 55.36 54.67 1rq8 s GLN 22 Cb -0.01 -2.73 -0.08 0.00 1.00 0.00 0.00 33.01 31.18 1rq8 s GLN 22 CO -0.07 0.31 0.71 0.42 -2.12 0.00 0.00 175.29 174.53 1rq8 s ILE 23 N 0.14 4.66 0.48 1.08 1.01 0.46 -4.93 121.20 124.10 1rq8 s ILE 23 Ca -0.04 1.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.56 1rq8 s ILE 23 Cb -0.14 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1rq8 s ILE 23 CO 0.04 0.01 0.85 -0.83 0.00 0.00 0.00 174.94 175.01 1rq8 s GLY 24 N -1.99 1.78 0.03 6.18 0.00 -1.26 -2.10 107.32 109.96 1rq8 s GLY 24 Ca 0.48 -0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 1rq8 s GLY 24 CO 0.19 -0.01 1.65 1.25 0.00 0.00 0.00 173.10 176.18 1rq8 s LYS 25 N -4.37 4.20 0.00 2.90 2.36 -1.25 -3.73 119.74 119.85 1rq8 s LYS 25 Ca 0.52 2.28 0.00 0.00 -2.55 0.00 0.00 55.97 56.22 1rq8 s LYS 25 Cb -0.10 -3.72 0.00 0.00 -1.05 0.00 0.00 37.83 32.95 1rq8 s LYS 25 CO 0.39 -0.76 0.00 0.41 1.55 0.00 0.00 175.35 176.94 1rq8 n GLY 26 N 4.03 3.10 0.00 5.54 0.00 -1.26 -5.02 105.19 111.58 1rq8 n GLY 26 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1rq8 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq8 n GLY 27 N 0.00 2.36 3.64 -0.02 0.00 -1.24 -5.07 105.19 104.85 1rq8 n GLY 27 Ca 0.00 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 3.33 -0.15 -0.61 1.01 -1.26 -4.65 121.20 116.86 1rq8 s ILE 28 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 1rq8 s ILE 28 Cb 0.00 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1rq8 s ILE 28 CO 0.00 -0.11 0.22 0.21 0.00 0.00 0.00 174.94 175.27 1rq8 s ASN 29 N 4.99 6.38 0.42 3.58 3.84 -1.26 -4.96 114.94 127.93 1rq8 s ASN 29 Ca 0.83 0.45 0.15 0.00 0.21 0.00 0.00 52.86 54.49 1rq8 s ASN 29 Cb -0.33 -2.14 1.03 0.00 -0.55 0.00 0.00 41.25 39.26 1rq8 s ASN 29 CO 0.34 0.19 1.93 -0.08 -2.79 0.00 0.00 177.10 176.69 1rq8 h GLU 30 N 6.24 0.42 -0.71 0.43 4.81 -1.98 0.11 114.58 123.90 1rq8 h GLU 30 Ca -0.44 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1rq8 h GLU 30 Cb 1.17 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 1rq8 h GLU 30 CO 0.72 0.28 0.26 -0.91 -0.73 0.00 0.00 179.01 178.63 1rq8 h ASN 31 N 0.44 0.22 -0.36 1.04 2.35 -1.99 1.60 115.58 118.88 1rq8 h ASN 31 Ca 0.36 0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 56.06 1rq8 h ASN 31 Cb 0.78 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1rq8 h ASN 31 CO -0.11 0.09 -0.37 0.24 -1.65 0.00 0.00 177.43 175.63 1rq8 h MET 32 N 0.41 0.88 0.00 0.81 2.86 -1.36 -2.80 114.93 115.73 1rq8 h MET 32 Ca 0.39 -0.47 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 1rq8 h MET 32 Cb 0.58 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1rq8 h MET 32 CO -0.40 1.12 -0.40 0.82 1.06 0.00 0.00 176.91 179.11 1rq8 h ILE 33 N 0.68 1.27 -0.68 -1.22 2.04 -0.29 -0.07 117.51 119.25 1rq8 h ILE 33 Ca 0.06 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.62 1rq8 h ILE 33 Cb 0.96 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 1rq8 h ILE 33 CO 0.09 0.39 0.36 0.11 0.00 0.00 0.00 178.15 179.10 1rq8 h LYS 34 N 0.00 0.62 -0.00 2.37 1.79 0.25 1.70 116.57 123.30 1rq8 h LYS 34 Ca -0.00 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1rq8 h LYS 34 Cb 0.71 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1rq8 h LYS 34 CO 0.05 0.41 -0.02 1.96 -1.08 0.00 0.00 179.45 180.77 1rq8 h GLN 35 N 0.64 0.02 -0.82 3.15 4.20 -1.37 -3.12 115.11 117.81 1rq8 h GLN 35 Ca 0.31 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.09 1rq8 h GLN 35 Cb 0.25 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1rq8 h GLN 35 CO -0.21 0.74 0.54 0.82 -0.67 0.00 0.00 178.83 180.04 1rq8 h ILE 36 N -0.69 0.98 -0.19 2.54 2.04 -0.57 0.08 117.51 121.70 1rq8 h ILE 36 Ca -0.00 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1rq8 h ILE 36 Cb 0.74 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 1rq8 h ILE 36 CO 0.01 0.15 -0.17 -0.78 0.00 0.00 0.00 178.15 177.36 1rq8 h ASP 37 N 0.81 -0.54 0.46 1.72 3.58 0.26 1.28 116.42 123.99 1rq8 h ASP 37 Ca 0.37 0.11 -0.23 0.00 0.42 0.00 0.00 57.03 57.70 1rq8 h ASP 37 Cb 0.37 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1rq8 h ASP 37 CO -0.14 -0.21 -0.98 -0.78 -2.88 0.00 0.00 179.24 174.24 1rq8 h ASP 38 N -0.18 0.44 1.48 2.28 1.82 -1.33 -1.47 116.42 119.45 1rq8 h ASP 38 Ca 0.12 -0.37 -0.10 0.00 -0.39 0.00 0.00 57.03 56.28 1rq8 h ASP 38 Cb 0.36 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1rq8 h ASP 38 CO -0.30 1.19 -0.48 0.74 -1.61 0.00 0.00 179.24 178.78 1rq8 h THR 39 N 0.17 0.84 0.03 2.25 2.02 -0.63 -2.81 112.91 114.78 1rq8 h THR 39 Ca -0.08 -2.16 -0.31 0.00 0.77 0.00 0.00 66.41 64.64 1rq8 h THR 39 Cb 1.63 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 70.39 1rq8 h THR 39 CO 0.16 0.47 -1.76 0.00 0.37 0.00 0.00 175.52 174.77 1rq8 n LEU 40 N -3.23 1.26 0.23 2.58 -0.00 0.44 -2.74 117.00 115.52 1rq8 n LEU 40 Ca 0.02 0.38 0.11 0.00 -0.00 0.00 0.00 56.01 56.52 1rq8 n LEU 40 Cb 0.72 -0.11 0.43 0.00 -0.00 0.00 0.00 43.42 44.46 1rq8 n LEU 40 CO 0.40 0.49 0.81 -0.08 -0.00 0.00 0.00 177.39 179.01 1rq8 h GLU 41 N 0.02 0.00 0.00 1.47 4.81 -1.33 -3.16 114.58 116.39 1rq8 h GLU 41 Ca -0.31 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.63 1rq8 h GLU 41 Cb 2.02 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.35 1rq8 h GLU 41 CO 0.08 0.18 -1.85 0.09 -0.73 0.00 0.00 179.01 176.78 1rq8 n ASN 42 N -3.27 0.62 -1.39 1.04 4.13 -1.06 -4.80 115.26 110.52 1rq8 n ASN 42 Ca 0.01 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.56 1rq8 n ASN 42 Cb 0.45 0.31 0.00 0.00 -1.54 0.00 0.00 39.78 39.00 1rq8 n ASN 42 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1rq8 n ARG 43 N -2.92 1.60 -0.01 3.52 1.74 -1.11 -3.52 116.66 115.96 1rq8 n ARG 43 Ca -0.20 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.87 1rq8 n ARG 43 Cb 1.03 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.47 1rq8 n ARG 43 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1rq8 n GLU 44 N -0.67 0.03 -4.14 5.56 4.71 -1.26 -4.65 120.64 120.21 1rq8 n GLU 44 Ca 0.00 0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 56.82 1rq8 n GLU 44 Cb 0.00 -0.55 -0.12 0.00 -1.01 0.00 0.00 31.44 29.76 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 -6.05 3.38 -0.08 -4.62 2.96 -1.26 -1.83 118.68 111.18 1rq8 s LEU 45 Ca -0.02 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1rq8 s LEU 45 Cb 0.01 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.88 1rq8 s LEU 45 CO 0.02 0.11 -0.02 0.27 -1.32 0.00 0.00 176.35 175.41 1rq8 s ILE 46 N 0.73 0.54 0.03 6.68 -4.36 -0.33 -4.97 121.20 119.52 1rq8 s ILE 46 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.22 1rq8 s ILE 46 Cb -0.14 -0.64 -0.06 0.00 1.25 0.00 0.00 42.46 42.86 1rq8 s ILE 46 CO 0.02 0.28 0.50 -1.59 0.24 0.00 0.00 174.94 174.39 1rq8 s LYS 47 N 1.76 4.10 -0.10 0.37 0.00 -1.26 -2.00 119.74 122.61 1rq8 s LYS 47 Ca 0.03 0.60 0.01 0.00 0.00 0.00 0.00 55.97 56.60 1rq8 s LYS 47 Cb -0.13 -3.24 0.02 0.00 0.00 0.00 0.00 37.83 34.48 1rq8 s LYS 47 CO -0.05 0.63 -0.11 0.08 0.00 0.00 0.00 175.35 175.89 1rq8 s VAL 48 N -0.98 1.22 -0.16 1.79 1.01 0.34 0.21 120.40 123.82 1rq8 s VAL 48 Ca 0.27 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1rq8 s VAL 48 Cb -0.18 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1rq8 s VAL 48 CO 0.16 0.39 0.67 -2.28 0.00 0.00 0.00 175.10 174.04 1rq8 s HIS 49 N 1.21 3.43 -0.09 5.22 2.46 -0.77 0.23 115.29 126.97 1rq8 s HIS 49 Ca -0.04 1.04 0.02 0.00 0.47 0.00 0.00 55.06 56.55 1rq8 s HIS 49 Cb -0.14 -2.82 -0.02 0.00 -0.13 0.00 0.00 32.58 29.47 1rq8 s HIS 49 CO -0.03 -0.11 -0.14 0.08 -2.47 0.00 0.00 174.74 172.07 1rq8 s VAL 50 N 1.66 3.04 -0.28 0.89 1.01 0.75 0.18 120.40 127.65 1rq8 s VAL 50 Ca 0.32 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1rq8 s VAL 50 Cb -0.16 -2.24 0.25 0.00 0.00 0.00 0.00 36.38 34.23 1rq8 s VAL 50 CO 0.12 0.55 1.83 0.18 0.00 0.00 0.00 175.10 177.78 1rq8 n LEU 51 N 2.98 5.92 0.19 3.92 7.99 -0.89 -4.27 117.00 132.83 1rq8 n LEU 51 Ca -0.18 -3.04 0.08 0.00 -0.01 0.00 0.00 56.01 52.87 1rq8 n LEU 51 Cb 0.52 -0.93 0.16 0.00 -0.11 0.00 0.00 43.42 43.07 1rq8 n LEU 51 CO 0.28 1.08 0.68 -0.61 -1.51 0.00 0.00 177.39 177.31 1rq8 h GLN 52 N 1.15 0.00 -0.62 3.23 -0.00 -1.88 -3.32 115.11 113.67 1rq8 h GLN 52 Ca 0.29 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.70 1rq8 h GLN 52 Cb 1.23 0.00 -0.09 0.00 0.00 0.00 0.00 27.48 28.62 1rq8 h GLN 52 CO 0.68 0.23 -0.22 -1.71 0.00 0.00 0.00 178.83 177.81 1rq8 n ASN 53 N -3.18 -5.38 -4.31 -0.69 5.15 -1.26 -4.94 115.26 100.65 1rq8 n ASN 53 Ca 0.03 0.29 -0.23 0.00 -0.60 0.00 0.00 54.58 54.07 1rq8 n ASN 53 Cb 0.59 -4.09 -0.12 0.00 -0.53 0.00 0.00 39.78 35.64 1rq8 n ASN 53 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1rq8 s ASN 54 N -2.35 2.62 -0.13 1.20 3.84 -1.26 -5.08 114.94 113.77 1rq8 s ASN 54 Ca 0.00 -0.77 -0.09 0.00 0.21 0.00 0.00 52.86 52.21 1rq8 s ASN 54 Cb 0.00 -0.15 -0.06 0.00 -0.55 0.00 0.00 41.25 40.50 1rq8 s ASN 54 CO 0.00 0.01 -0.00 -0.26 -2.79 0.00 0.00 177.10 174.06 1rq8 h PHE 55 N 3.68 0.00 0.00 0.43 0.04 -1.95 -3.06 116.94 116.08 1rq8 h PHE 55 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1rq8 h PHE 55 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1rq8 h PHE 55 CO 0.65 0.24 0.00 -0.25 -0.60 0.00 0.00 178.31 178.35 1rq8 n ASP 56 N -4.65 0.00 -0.08 2.17 8.00 -1.26 -2.94 116.55 117.78 1rq8 n ASP 56 Ca -0.08 0.42 -0.22 0.00 0.71 0.00 0.00 54.79 55.62 1rq8 n ASP 56 Cb 0.24 -0.46 -0.12 0.00 -0.02 0.00 0.00 41.12 40.76 1rq8 n ASP 56 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rq8 n ASP 57 N -1.46 1.93 -0.31 -2.24 -0.08 -1.26 -3.11 116.55 110.02 1rq8 n ASP 57 Ca 0.04 0.36 0.13 0.00 -1.51 0.00 0.00 54.79 53.81 1rq8 n ASP 57 Cb 0.15 -0.93 0.36 0.00 2.34 0.00 0.00 41.12 43.04 1rq8 n ASP 57 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1rq8 h LYS 58 N -0.75 0.70 0.10 -0.67 1.57 -1.42 0.44 116.57 116.54 1rq8 h LYS 58 Ca -0.39 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1rq8 h LYS 58 Cb 1.49 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1rq8 h LYS 58 CO -0.16 0.46 -0.05 -0.22 -0.57 0.00 0.00 179.45 178.91 1rq8 h LYS 59 N 0.72 -0.13 -0.86 3.15 3.64 -1.68 -2.27 116.57 119.14 1rq8 h LYS 59 Ca 0.51 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.97 1rq8 h LYS 59 Cb 0.83 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.63 1rq8 h LYS 59 CO -0.27 0.21 0.56 1.49 -2.27 0.00 0.00 179.45 179.16 1rq8 h GLU 60 N -0.49 0.91 -0.91 1.90 4.81 -1.11 0.15 114.58 119.83 1rq8 h GLU 60 Ca -0.01 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1rq8 h GLU 60 Cb 0.40 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1rq8 h GLU 60 CO 0.02 0.60 0.59 -0.07 -0.73 0.00 0.00 179.01 179.43 1rq8 h LEU 61 N 0.94 0.92 -1.96 1.64 4.07 0.05 0.56 115.31 121.52 1rq8 h LEU 61 Ca 0.37 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.33 1rq8 h LEU 61 Cb 0.24 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 1rq8 h LEU 61 CO -0.14 0.59 -0.02 0.00 -1.08 0.00 0.00 178.44 177.79 1rq8 h ALA 62 N 1.50 1.95 -0.30 1.53 0.00 -0.12 0.48 119.26 124.30 1rq8 h ALA 62 Ca 0.39 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1rq8 h ALA 62 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1rq8 h ALA 62 CO -0.15 0.03 0.20 1.49 0.00 0.00 0.00 179.25 180.83 1rq8 h GLU 63 N 0.00 0.31 0.14 0.00 4.81 0.49 1.80 114.58 122.12 1rq8 h GLU 63 Ca -0.00 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.90 1rq8 h GLU 63 Cb 0.04 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1rq8 h GLU 63 CO 0.00 0.20 -1.57 1.15 -0.73 0.00 0.00 179.01 178.06 1rq8 h THR 64 N 0.32 0.96 0.08 0.32 2.02 -0.23 -3.04 112.91 113.33 1rq8 h THR 64 Ca 0.12 -2.43 -0.00 0.00 0.77 0.00 0.00 66.41 64.87 1rq8 h THR 64 Cb 0.10 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1rq8 h THR 64 CO -0.03 0.77 -0.04 -0.07 0.37 0.00 0.00 175.52 176.53 1rq8 h LEU 65 N -0.14 -0.09 -0.43 2.58 3.38 0.41 -1.96 115.31 119.06 1rq8 h LEU 65 Ca -0.33 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.20 1rq8 h LEU 65 Cb 1.89 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.61 1rq8 h LEU 65 CO 0.10 0.51 0.12 -1.28 0.09 0.00 0.00 178.44 177.98 1rq8 h SER 66 N -0.74 0.09 -0.31 -0.43 0.87 0.26 1.56 113.55 114.84 1rq8 h SER 66 Ca -0.01 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1rq8 h SER 66 Cb 0.59 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1rq8 h SER 66 CO 0.02 0.08 0.16 -0.33 -0.53 0.00 0.00 176.83 176.23 1rq8 h GLU 67 N 0.27 0.48 0.00 2.24 5.08 -1.58 0.56 114.58 121.63 1rq8 h GLU 67 Ca 0.20 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1rq8 h GLU 67 Cb 0.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1rq8 h GLU 67 CO -0.24 0.38 -0.48 0.00 -1.00 0.00 0.00 179.01 177.68 1rq8 h ALA 68 N 1.69 0.10 0.00 3.43 0.00 -0.33 -3.30 119.26 120.86 1rq8 h ALA 68 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1rq8 h ALA 68 Cb 0.06 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rq8 h ALA 68 CO -0.02 0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.76 1rq8 n THR 69 N -4.55 1.06 -3.83 0.00 -2.24 0.52 -4.83 114.28 100.40 1rq8 n THR 69 Ca -0.18 0.61 -0.28 0.00 -2.27 0.00 0.00 64.05 61.93 1rq8 n THR 69 Cb 0.53 -1.59 0.04 0.00 -2.10 0.00 0.00 70.33 67.20 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 -2.19 -5.83 -0.61 -0.78 1.74 0.18 -4.93 116.66 104.24 1rq8 n ARG 70 Ca -0.01 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1rq8 n ARG 70 Cb 0.07 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 26.00 1rq8 n ARG 70 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rq8 n SER 71 N -2.90 1.60 -3.85 0.55 3.41 -1.19 -4.48 113.62 106.75 1rq8 n SER 71 Ca -0.02 -0.30 -0.28 0.00 -0.26 0.00 0.00 58.87 58.01 1rq8 n SER 71 Cb 0.55 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.34 1rq8 n SER 71 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1rq8 s GLU 72 N 0.09 1.19 -0.36 4.33 8.01 -0.39 -4.87 118.70 126.69 1rq8 s GLU 72 Ca 0.00 -0.56 -0.27 0.00 0.01 0.00 0.00 54.97 54.15 1rq8 s GLU 72 Cb 0.00 -2.12 -0.06 0.00 -4.31 0.00 0.00 34.13 27.65 1rq8 s GLU 72 CO 0.00 -0.53 2.27 -1.17 0.01 0.00 0.00 175.26 175.84 1rq8 s LEU 73 N 1.67 3.42 0.26 1.80 0.20 -1.26 -1.52 118.68 123.25 1rq8 s LEU 73 Ca -0.01 1.45 0.08 0.00 0.69 0.00 0.00 54.13 56.34 1rq8 s LEU 73 Cb -0.16 -3.04 0.31 0.00 -0.43 0.00 0.00 46.19 42.86 1rq8 s LEU 73 CO -0.07 -2.37 1.59 -0.37 -0.29 0.00 0.00 176.35 174.84 1rq8 h VAL 74 N 7.36 1.42 0.00 1.68 -1.51 -0.82 -3.48 116.25 120.90 1rq8 h VAL 74 Ca -0.33 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.09 1rq8 h VAL 74 Cb 1.25 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 1rq8 h VAL 74 CO 1.06 0.59 0.00 0.00 -1.23 0.00 0.00 177.57 177.99 1rq8 n GLN 75 N -3.84 -3.19 -4.00 5.19 1.13 -0.69 -4.78 117.38 107.20 1rq8 n GLN 75 Ca -0.02 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.74 1rq8 n GLN 75 Cb 0.62 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.81 1rq8 n GLN 75 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1rq8 s VAL 76 N -2.01 1.66 -0.64 5.09 1.01 -1.26 0.29 120.40 124.53 1rq8 s VAL 76 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 1rq8 s VAL 76 Cb 0.00 -1.72 0.10 0.00 0.00 0.00 0.00 36.38 34.75 1rq8 s VAL 76 CO 0.00 0.19 0.82 -0.63 0.00 0.00 0.00 175.10 175.48 1rq8 s ILE 77 N 1.39 4.66 0.00 2.22 -1.09 0.52 -4.90 121.20 124.00 1rq8 s ILE 77 Ca -0.01 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.56 1rq8 s ILE 77 Cb -0.16 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.14 1rq8 s ILE 77 CO -0.08 -1.27 0.00 0.61 -1.23 0.00 0.00 174.94 172.97 1rq8 n GLY 78 N 5.28 2.31 0.44 6.18 0.00 -1.26 0.17 105.19 118.31 1rq8 n GLY 78 Ca -0.05 0.40 0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 5.90 1.23 -4.34 1.61 7.64 -1.26 -4.82 113.62 119.58 1rq8 n SER 79 Ca 0.00 -2.04 -0.29 0.00 1.01 0.00 0.00 58.87 57.54 1rq8 n SER 79 Cb 0.00 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.69 1.69 -0.12 1.43 1.00 0.44 -0.18 119.30 121.87 1rq8 s MET 80 Ca 0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 55.69 54.67 1rq8 s MET 80 Cb 0.07 -1.90 -0.03 0.00 0.00 0.00 0.00 34.83 32.98 1rq8 s MET 80 CO 0.08 0.48 -0.01 0.42 0.00 0.00 0.00 175.02 176.00 1rq8 s ILE 81 N -0.84 4.22 -0.38 2.53 1.01 0.63 0.19 121.20 128.56 1rq8 s ILE 81 Ca 0.11 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1rq8 s ILE 81 Cb -0.10 -2.81 0.05 0.00 0.01 0.00 0.00 42.46 39.61 1rq8 s ILE 81 CO 0.03 0.55 0.20 -0.69 0.00 0.00 0.00 174.94 175.03 1rq8 s VAL 82 N -0.35 4.25 0.11 2.92 1.01 0.82 0.13 120.40 129.29 1rq8 s VAL 82 Ca 0.07 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 61.00 1rq8 s VAL 82 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1rq8 s VAL 82 CO 0.02 -0.31 -0.16 -0.63 0.00 0.00 0.00 175.10 174.02 1rq8 s ILE 83 N 1.47 1.45 -0.23 2.22 1.01 -0.85 -0.08 121.20 126.19 1rq8 s ILE 83 Ca 0.01 -1.63 0.01 0.00 0.00 0.00 0.00 60.65 59.04 1rq8 s ILE 83 Cb -0.21 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.82 1rq8 s ILE 83 CO 0.04 -0.28 -0.07 -0.47 0.00 0.00 0.00 174.94 174.16 1rq8 s TYR 84 N -1.74 2.52 -0.37 3.97 5.04 -0.57 -1.19 117.35 125.02 1rq8 s TYR 84 Ca 0.07 -1.81 -0.23 0.00 -2.44 0.00 0.00 57.07 52.66 1rq8 s TYR 84 Cb -0.07 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.61 1rq8 s TYR 84 CO 0.04 -0.78 0.78 0.50 -1.34 0.00 0.00 175.55 174.74 1rq8 s ARG 85 N 1.35 3.73 0.00 4.97 6.06 -0.76 -1.26 118.95 133.05 1rq8 s ARG 85 Ca -0.06 0.28 0.00 0.00 -2.50 0.00 0.00 55.73 53.46 1rq8 s ARG 85 Cb -0.19 -3.82 0.00 0.00 0.06 0.00 0.00 34.95 31.01 1rq8 s ARG 85 CO -0.06 -0.86 0.00 -0.85 -2.50 0.00 0.00 175.30 171.03 1rq8 n GLU 86 N 6.42 0.00 -4.37 5.12 0.28 -1.26 -4.66 120.64 122.18 1rq8 n GLU 86 Ca 0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.83 1rq8 n GLU 86 Cb 0.48 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.22 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 0.00 1.50 0.06 -1.84 0.01 -1.26 -4.83 113.70 107.35 1rq8 s SER 87 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1rq8 s SER 87 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1rq8 s SER 87 CO 0.00 0.04 0.00 1.17 0.41 0.00 0.00 173.24 174.86 1rq8 n LYS 88 N 2.12 0.00 -3.15 12.44 3.00 -1.26 -5.07 118.16 126.23 1rq8 n LYS 88 Ca -0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.74 1rq8 n LYS 88 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.52 1rq8 n LYS 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1rq8 s GLU 89 N -1.14 4.21 -0.85 1.64 2.12 -1.23 -4.93 118.70 118.52 1rq8 s GLU 89 Ca 0.00 0.57 -0.26 0.00 0.36 0.00 0.00 54.97 55.63 1rq8 s GLU 89 Cb 0.00 -3.57 -0.25 0.00 0.26 0.00 0.00 34.13 30.57 1rq8 s GLU 89 CO 0.00 -0.20 1.97 0.27 -0.54 0.00 0.00 175.26 176.75 1rq8 n ASN 90 N 4.94 1.09 -4.86 -1.70 6.94 -1.26 -4.68 115.26 115.72 1rq8 n ASN 90 Ca -0.02 -2.42 -0.31 0.00 -0.02 0.00 0.00 54.58 51.80 1rq8 n ASN 90 Cb 0.50 -1.47 -0.00 0.00 -2.36 0.00 0.00 39.78 36.45 1rq8 n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1rq8 s LYS 91 N 8.10 3.70 -0.50 -3.83 2.47 -1.26 -4.85 119.74 123.57 1rq8 s LYS 91 Ca 0.75 0.80 -0.26 0.00 -1.56 0.00 0.00 55.97 55.70 1rq8 s LYS 91 Cb -0.02 -2.10 -0.25 0.00 -1.46 0.00 0.00 37.83 34.00 1rq8 s LYS 91 CO 0.20 -0.48 1.80 0.39 0.16 0.00 0.00 175.35 177.43 1rq8 n GLU 92 N -2.41 0.81 -3.83 4.03 1.02 -1.26 -4.80 120.64 114.20 1rq8 n GLU 92 Ca 0.06 -1.53 -0.36 0.00 -0.02 0.00 0.00 57.16 55.30 1rq8 n GLU 92 Cb 0.54 -2.86 -0.13 0.00 -0.02 0.00 0.00 31.44 28.97 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 6.94 3.55 -0.22 -3.67 -1.09 -1.26 -5.07 121.20 120.38 1rq8 s ILE 93 Ca 0.64 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1rq8 s ILE 93 Cb 0.13 -2.87 0.05 0.00 -1.58 0.00 0.00 42.46 38.18 1rq8 s ILE 93 CO 0.22 0.05 -0.09 -1.83 -1.23 0.00 0.00 174.94 172.06 1rq8 s GLU 94 N 1.41 1.97 0.08 2.79 -1.05 -1.26 -4.90 118.70 117.74 1rq8 s GLU 94 Ca 0.00 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1rq8 s GLU 94 Cb -0.18 -2.59 0.00 0.00 -0.44 0.00 0.00 34.13 30.93 1rq8 s GLU 94 CO 0.00 -0.51 0.00 -0.11 0.95 0.00 0.00 175.26 175.59 1rq8 n LEU 95 N 4.62 -0.73 -0.69 1.83 7.94 -1.26 -4.98 117.00 123.73 1rq8 n LEU 95 Ca -0.14 0.28 0.09 0.00 -1.11 0.00 0.00 56.01 55.13 1rq8 n LEU 95 Cb 0.45 0.91 0.07 0.00 0.53 0.00 0.00 43.42 45.38 1rq8 n LEU 95 CO 0.20 -0.06 0.53 -0.81 -1.11 0.00 0.00 177.39 176.14