#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq6 n GLY 2 N 0.00 0.77 2.58 3.03 0.00 -1.26 -1.85 105.19 108.46 1rq6 n GLY 2 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1rq6 n GLY 2 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rq6 n ASN 3 N -0.79 -5.53 -2.15 1.61 4.13 -1.26 -2.64 115.26 108.64 1rq6 n ASN 3 Ca -0.17 0.47 -0.06 0.00 1.68 0.00 0.00 54.58 56.49 1rq6 n ASN 3 Cb 0.58 -4.85 -0.01 0.00 -1.54 0.00 0.00 39.78 33.95 1rq6 n ASN 3 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1rq6 n ILE 4 N -2.53 -0.22 -2.35 2.41 -5.35 -0.77 -4.87 119.36 105.68 1rq6 n ILE 4 Ca -0.21 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 61.88 1rq6 n ILE 4 Cb 0.69 -0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 37.75 1rq6 n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rq6 s ARG 5 N -4.39 3.02 0.00 6.28 1.70 -1.08 -3.98 118.95 120.50 1rq6 s ARG 5 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.13 1rq6 s ARG 5 Cb 0.00 -4.51 0.00 0.00 -0.57 0.00 0.00 34.95 29.87 1rq6 s ARG 5 CO 0.00 -2.45 0.00 2.41 -1.08 0.00 0.00 175.30 174.18 1rq6 n THR 6 N 6.85 0.00 0.30 4.99 -1.04 -1.26 -4.81 114.28 119.31 1rq6 n THR 6 Ca 0.16 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.34 1rq6 n THR 6 Cb 0.50 0.00 0.92 0.00 -1.82 0.00 0.00 70.33 69.93 1rq6 n THR 6 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1rq6 h SER 7 N 0.00 0.00 0.66 8.00 0.02 -2.00 -0.03 113.55 120.21 1rq6 h SER 7 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rq6 h SER 7 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rq6 h SER 7 CO 0.00 0.03 0.00 0.49 -1.14 0.00 0.00 176.83 176.21 1rq6 n PHE 8 N -3.59 0.31 -0.10 3.45 3.01 -1.26 -1.92 117.46 117.36 1rq6 n PHE 8 Ca -0.02 0.12 -0.11 0.00 1.01 0.00 0.00 57.45 58.45 1rq6 n PHE 8 Cb 0.13 -0.69 0.02 0.00 -0.01 0.00 0.00 39.48 38.93 1rq6 n PHE 8 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1rq6 h VAL 9 N 0.00 1.28 -0.56 -4.37 2.07 -1.34 0.23 116.25 113.56 1rq6 h VAL 9 Ca 0.00 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 1rq6 h VAL 9 Cb 0.33 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1rq6 h VAL 9 CO 0.00 0.50 -0.03 0.50 0.02 0.00 0.00 177.57 178.56 1rq6 h LYS 10 N 0.72 0.99 -0.03 1.57 3.64 -1.51 0.18 116.57 122.13 1rq6 h LYS 10 Ca 0.07 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1rq6 h LYS 10 Cb 0.89 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1rq6 h LYS 10 CO 0.08 0.99 -0.14 -0.09 -2.27 0.00 0.00 179.45 178.02 1rq6 h ARG 11 N 0.90 -0.21 -0.34 1.90 9.65 -1.18 0.81 114.38 125.92 1rq6 h ARG 11 Ca 0.16 0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 59.00 1rq6 h ARG 11 Cb 0.56 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1rq6 h ARG 11 CO 0.03 -0.14 0.02 0.82 2.80 0.00 0.00 179.97 183.50 1rq6 h ILE 12 N -0.22 1.25 -0.72 1.20 1.08 -0.33 -2.20 117.51 117.57 1rq6 h ILE 12 Ca 0.06 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1rq6 h ILE 12 Cb 0.29 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 1rq6 h ILE 12 CO -0.16 0.30 0.43 0.00 -0.69 0.00 0.00 178.15 178.03 1rq6 h ALA 13 N 0.87 0.92 0.10 1.87 0.00 -0.53 0.30 119.26 122.80 1rq6 h ALA 13 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rq6 h ALA 13 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rq6 h ALA 13 CO 0.01 0.40 -0.05 -0.22 0.00 0.00 0.00 179.25 179.40 1rq6 h LYS 14 N 0.99 -0.14 0.00 0.00 3.64 -0.75 -1.69 116.57 118.62 1rq6 h LYS 14 Ca 0.26 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1rq6 h LYS 14 Cb -0.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1rq6 h LYS 14 CO -0.05 -0.04 -0.17 0.93 -2.27 0.00 0.00 179.45 177.85 1rq6 h GLU 15 N -0.19 0.00 0.14 1.90 3.07 -1.18 0.41 114.58 118.74 1rq6 h GLU 15 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1rq6 h GLU 15 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1rq6 h GLU 15 CO 0.02 0.17 -0.07 1.98 -1.40 0.00 0.00 179.01 179.72 1rq6 h MET 16 N 0.00 -0.18 0.00 2.33 4.05 -0.07 -3.12 114.93 117.93 1rq6 h MET 16 Ca -0.00 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1rq6 h MET 16 Cb 0.69 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 1rq6 h MET 16 CO 0.02 0.21 -0.41 0.82 0.23 0.00 0.00 176.91 177.78 1rq6 h ILE 17 N -0.62 0.82 0.00 1.77 2.04 -1.27 -3.48 117.51 116.77 1rq6 h ILE 17 Ca -0.02 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1rq6 h ILE 17 Cb 0.47 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1rq6 h ILE 17 CO 0.03 0.40 0.00 1.21 0.00 0.00 0.00 178.15 179.80 1rq6 n GLU 18 N -3.36 0.00 -0.10 2.37 2.13 0.14 -0.78 120.64 121.05 1rq6 n GLU 18 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1rq6 n GLU 18 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 1rq6 n GLU 18 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1rq6 n THR 19 N 0.00 0.00 -3.46 6.31 -1.04 -1.26 -4.78 114.28 110.04 1rq6 n THR 19 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1rq6 n THR 19 Cb 0.00 0.31 -0.12 0.00 -1.82 0.00 0.00 70.33 68.71 1rq6 n THR 19 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1rq6 s HIS 20 N 0.00 -0.19 0.66 -1.42 5.04 0.04 -5.15 115.29 114.27 1rq6 s HIS 20 Ca 0.00 -0.32 -0.07 0.00 -1.54 0.00 0.00 55.06 53.13 1rq6 s HIS 20 Cb 0.00 -0.58 0.03 0.00 0.04 0.00 0.00 32.58 32.07 1rq6 s HIS 20 CO 0.00 -0.84 0.99 -1.25 -2.34 0.00 0.00 174.74 171.31 1rq6 s PRO 21 N 2.28 2.59 0.10 2.88 0.04 -1.26 -4.86 135.00 136.76 1rq6 s PRO 21 Ca 0.09 -0.00 0.16 0.00 0.04 0.00 0.00 61.00 61.28 1rq6 s PRO 21 Cb -0.15 -2.17 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 1rq6 s PRO 21 CO -0.30 -1.00 0.93 0.78 0.04 0.00 0.00 177.00 177.44 1rq6 h GLY 22 N -0.46 0.00 0.00 0.56 0.00 -1.95 -3.43 103.07 97.79 1rq6 h GLY 22 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1rq6 h GLY 22 CO 0.61 0.00 -0.42 0.28 0.00 0.00 0.00 176.54 177.02 1rq6 n LYS 23 N -2.95 0.00 -2.53 4.80 5.02 -1.26 -5.11 118.16 116.13 1rq6 n LYS 23 Ca -0.08 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.16 1rq6 n LYS 23 Cb 0.83 -0.26 0.01 0.00 -0.02 0.00 0.00 35.03 35.58 1rq6 n LYS 23 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1rq6 n PHE 24 N -2.90 -2.77 -3.66 2.13 7.35 -1.26 -5.09 117.46 111.26 1rq6 n PHE 24 Ca 0.00 1.14 -0.15 0.00 -0.76 0.00 0.00 57.45 57.68 1rq6 n PHE 24 Cb 0.21 -3.50 -0.08 0.00 0.35 0.00 0.00 39.48 36.46 1rq6 n PHE 24 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1rq6 s THR 25 N -2.08 0.01 -1.18 -2.13 2.01 -1.26 -5.03 115.64 105.97 1rq6 s THR 25 Ca 0.16 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 1rq6 s THR 25 Cb -0.05 -0.81 -0.07 0.00 0.01 0.00 0.00 72.50 71.59 1rq6 s THR 25 CO 0.60 -0.04 2.38 -0.90 -0.69 0.00 0.00 174.62 175.97 1rq6 n ASP 26 N 2.09 5.84 -4.02 3.53 5.75 -1.26 -4.76 116.55 123.72 1rq6 n ASP 26 Ca -0.16 -2.49 -0.12 0.00 -0.01 0.00 0.00 54.79 52.01 1rq6 n ASP 26 Cb 0.56 -1.30 -0.12 0.00 -1.03 0.00 0.00 41.12 39.23 1rq6 n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1rq6 s ASP 27 N 3.16 0.65 0.31 -1.12 2.15 -1.26 -5.06 116.67 115.50 1rq6 s ASP 27 Ca 0.52 -0.46 0.13 0.00 0.43 0.00 0.00 52.55 53.17 1rq6 s ASP 27 Cb 0.14 0.04 0.48 0.00 -0.30 0.00 0.00 42.92 43.27 1rq6 s ASP 27 CO -0.03 -0.18 1.67 -0.26 -0.17 0.00 0.00 175.17 176.19 1rq6 h PHE 28 N 4.78 0.00 -0.46 -5.34 0.04 -1.98 -2.62 116.94 111.36 1rq6 h PHE 28 Ca -0.34 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.35 1rq6 h PHE 28 Cb 1.20 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.33 1rq6 h PHE 28 CO 0.61 0.53 -0.08 0.22 -0.60 0.00 0.00 178.31 178.99 1rq6 h ASP 29 N 0.00 0.79 -0.16 2.17 3.58 -1.97 0.99 116.42 121.82 1rq6 h ASP 29 Ca -0.01 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.23 1rq6 h ASP 29 Cb 1.00 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1rq6 h ASP 29 CO 0.07 0.90 0.07 0.74 -2.88 0.00 0.00 179.24 178.14 1rq6 h THR 30 N 0.73 0.99 -0.01 2.25 2.02 -1.78 -0.05 112.91 117.06 1rq6 h THR 30 Ca 0.13 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1rq6 h THR 30 Cb 0.56 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1rq6 h THR 30 CO 0.03 0.03 -0.23 0.78 0.37 0.00 0.00 175.52 176.50 1rq6 h ASN 31 N 0.16 -0.70 -0.24 4.18 2.35 -1.14 -0.97 115.58 119.22 1rq6 h ASN 31 Ca 0.07 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1rq6 h ASN 31 Cb 0.02 0.29 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 1rq6 h ASN 31 CO -0.05 -0.30 -0.34 0.50 -1.65 0.00 0.00 177.43 175.58 1rq6 h LYS 32 N -0.36 -0.34 -0.66 0.81 3.64 -0.52 1.00 116.57 120.13 1rq6 h LYS 32 Ca 0.06 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1rq6 h LYS 32 Cb 0.45 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1rq6 h LYS 32 CO -0.22 -0.23 0.10 -0.22 -2.27 0.00 0.00 179.45 176.62 1rq6 h LYS 33 N -0.35 1.08 -0.14 1.90 3.64 -0.84 -1.43 116.57 120.43 1rq6 h LYS 33 Ca 0.12 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1rq6 h LYS 33 Cb 0.56 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1rq6 h LYS 33 CO -0.44 0.99 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.34 1rq6 h LEU 34 N 1.01 0.53 0.05 5.20 4.07 -0.74 -1.38 115.31 124.06 1rq6 h LEU 34 Ca 0.20 -0.57 -0.00 0.00 0.08 0.00 0.00 57.88 57.59 1rq6 h LEU 34 Cb 0.44 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1rq6 h LEU 34 CO 0.01 1.00 -0.03 0.58 -1.08 0.00 0.00 178.44 178.93 1rq6 h VAL 35 N 0.08 0.98 0.00 1.22 2.07 -0.74 -2.33 116.25 117.52 1rq6 h VAL 35 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1rq6 h VAL 35 Cb 0.92 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1rq6 h VAL 35 CO 0.07 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 1rq6 n GLU 36 N -5.10 0.16 -0.02 1.57 -0.58 -0.55 -2.71 120.64 113.42 1rq6 n GLU 36 Ca -0.08 0.12 -0.17 0.00 -0.42 0.00 0.00 57.16 56.61 1rq6 n GLU 36 Cb 0.08 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.31 1rq6 n GLU 36 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1rq6 h GLU 37 N 0.00 0.14 0.00 3.49 4.57 -0.71 -3.46 114.58 118.61 1rq6 h GLU 37 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1rq6 h GLU 37 Cb 0.27 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1rq6 h GLU 37 CO 0.00 1.11 0.00 1.19 -1.18 0.00 0.00 179.01 180.13 1rq6 n PHE 38 N -4.37 0.00 -4.29 0.92 3.72 -1.04 -5.10 117.46 107.30 1rq6 n PHE 38 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1rq6 n PHE 38 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1rq6 n PHE 38 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rq6 n SER 39 N 0.00 -4.99 0.13 4.37 2.88 -1.10 -4.95 113.62 109.96 1rq6 n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rq6 n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1rq6 n SER 39 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1rq6 n THR 40 N -1.61 0.00 -3.56 2.46 -1.04 -1.26 -5.03 114.28 104.24 1rq6 n THR 40 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1rq6 n THR 40 Cb 0.00 -0.32 -0.13 0.00 -1.82 0.00 0.00 70.33 68.06 1rq6 n THR 40 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1rq6 s VAL 41 N -1.77 0.42 -0.72 12.58 1.01 -1.26 -5.09 120.40 125.56 1rq6 s VAL 41 Ca 0.00 -1.61 -0.16 0.00 0.00 0.00 0.00 61.98 60.22 1rq6 s VAL 41 Cb 0.00 -1.32 0.17 0.00 0.00 0.00 0.00 36.38 35.24 1rq6 s VAL 41 CO 0.00 -0.87 0.71 -0.94 0.00 0.00 0.00 175.10 173.99 1rq6 s SER 42 N 1.25 6.51 0.72 3.32 1.04 -1.26 -4.92 113.70 120.37 1rq6 s SER 42 Ca 0.15 -2.22 -0.06 0.00 0.48 0.00 0.00 55.95 54.29 1rq6 s SER 42 Cb -0.21 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.76 1rq6 s SER 42 CO -0.11 -0.76 1.03 0.42 0.98 0.00 0.00 173.24 174.80 1rq6 s THR 43 N 1.09 2.25 0.07 2.02 -4.23 -1.26 -4.87 115.64 110.71 1rq6 s THR 43 Ca 0.14 -0.31 -0.29 0.00 -1.18 0.00 0.00 61.69 60.05 1rq6 s THR 43 Cb -0.17 -2.94 -0.18 0.00 1.34 0.00 0.00 72.50 70.55 1rq6 s THR 43 CO -0.04 0.00 1.59 0.11 -0.54 0.00 0.00 174.62 175.75 1rq6 h LYS 44 N -0.66 -0.60 0.00 3.99 1.57 -1.99 0.16 116.57 119.05 1rq6 h LYS 44 Ca -0.43 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1rq6 h LYS 44 Cb 1.30 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1rq6 h LYS 44 CO 0.55 -0.37 -0.22 1.25 -0.57 0.00 0.00 179.45 180.09 1rq6 h HIS 45 N -0.67 0.00 0.07 -1.35 2.76 -2.00 -1.22 115.15 112.74 1rq6 h HIS 45 Ca -0.06 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.86 1rq6 h HIS 45 Cb 0.50 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.49 1rq6 h HIS 45 CO -0.03 0.22 -1.01 1.25 -1.30 0.00 0.00 177.93 177.05 1rq6 h LEU 46 N 0.00 0.76 -1.06 0.26 6.46 -1.89 -3.13 115.31 116.71 1rq6 h LEU 46 Ca -0.00 -0.81 0.02 0.00 -0.12 0.00 0.00 57.88 56.97 1rq6 h LEU 46 Cb 0.53 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 1rq6 h LEU 46 CO 0.03 1.49 0.63 -0.09 -0.62 0.00 0.00 178.44 179.88 1rq6 h ARG 47 N 0.14 1.22 -0.79 1.25 2.43 -0.08 -1.55 114.38 116.99 1rq6 h ARG 47 Ca -0.15 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1rq6 h ARG 47 Cb 1.71 -0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 30.93 1rq6 h ARG 47 CO 0.20 0.80 0.52 -0.91 -1.51 0.00 0.00 179.97 179.07 1rq6 h ASN 48 N 1.25 0.79 -0.01 -3.80 4.21 -1.27 0.24 115.58 117.00 1rq6 h ASN 48 Ca 0.37 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 1rq6 h ASN 48 Cb -0.07 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 36.96 1rq6 h ASN 48 CO -0.10 0.53 -0.01 0.11 -1.29 0.00 0.00 177.43 176.67 1rq6 h LYS 49 N 0.91 0.03 0.33 0.81 1.79 -1.26 -2.40 116.57 116.77 1rq6 h LYS 49 Ca 0.33 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 1rq6 h LYS 49 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1rq6 h LYS 49 CO -0.11 0.53 -0.16 0.82 -1.08 0.00 0.00 179.45 179.45 1rq6 h ILE 50 N -0.47 0.70 -0.77 1.86 1.08 -0.95 -2.64 117.51 116.32 1rq6 h ILE 50 Ca 0.00 -0.16 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1rq6 h ILE 50 Cb 0.52 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 1rq6 h ILE 50 CO 0.00 0.03 0.51 0.00 -0.69 0.00 0.00 178.15 178.01 1rq6 h ALA 51 N 0.13 1.51 -0.50 1.87 0.00 -0.63 -0.57 119.26 121.07 1rq6 h ALA 51 Ca -0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1rq6 h ALA 51 Cb 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1rq6 h ALA 51 CO 0.07 0.42 0.31 0.78 0.00 0.00 0.00 179.25 180.83 1rq6 h GLY 52 N 0.98 0.70 1.39 0.00 0.00 -1.27 -2.14 103.07 102.73 1rq6 h GLY 52 Ca 0.30 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.22 1rq6 h GLY 52 CO -0.08 0.21 -0.59 -0.97 0.00 0.00 0.00 176.54 175.11 1rq6 h TYR 53 N 0.61 0.80 0.42 5.60 -1.99 -0.95 -2.56 116.97 118.91 1rq6 h TYR 53 Ca 0.19 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1rq6 h TYR 53 Cb -0.01 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.56 1rq6 h TYR 53 CO -0.06 1.06 -0.31 0.82 -0.00 0.00 0.00 178.16 179.68 1rq6 h ILE 54 N 0.47 0.36 -0.75 -2.88 2.04 -0.93 0.17 117.51 115.99 1rq6 h ILE 54 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1rq6 h ILE 54 Cb 1.16 0.36 -0.10 0.00 -0.74 0.00 0.00 36.82 37.50 1rq6 h ILE 54 CO 0.11 0.00 0.27 0.74 0.00 0.00 0.00 178.15 179.27 1rq6 h THR 55 N -0.72 0.61 0.10 -0.27 2.02 -1.42 0.18 112.91 113.41 1rq6 h THR 55 Ca -0.04 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1rq6 h THR 55 Cb 0.61 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1rq6 h THR 55 CO 0.01 0.07 -0.10 0.03 0.37 0.00 0.00 175.52 175.90 1rq6 h ARG 56 N 0.39 -0.21 -0.40 6.66 3.08 -0.97 -0.16 114.38 122.77 1rq6 h ARG 56 Ca 0.42 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.52 1rq6 h ARG 56 Cb 0.67 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 1rq6 h ARG 56 CO -0.44 -0.14 0.16 0.82 -1.07 0.00 0.00 179.97 179.30 1rq6 h ILE 57 N -0.22 0.92 -0.34 2.04 2.04 0.24 -1.39 117.51 120.79 1rq6 h ILE 57 Ca 0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1rq6 h ILE 57 Cb 0.21 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1rq6 h ILE 57 CO -0.02 0.06 0.04 0.40 0.00 0.00 0.00 178.15 178.63 1rq6 h ILE 58 N 0.34 1.18 -0.70 -0.67 2.04 -0.81 0.19 117.51 119.08 1rq6 h ILE 58 Ca 0.18 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1rq6 h ILE 58 Cb 0.13 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1rq6 h ILE 58 CO -0.16 0.24 0.17 0.28 0.00 0.00 0.00 178.15 178.68 1rq6 h SER 59 N 0.50 1.06 1.02 1.72 0.02 -0.05 -1.03 113.55 116.79 1rq6 h SER 59 Ca 0.11 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.68 1rq6 h SER 59 Cb 0.27 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1rq6 h SER 59 CO 0.00 1.02 -0.73 1.56 -1.14 0.00 0.00 176.83 177.55 1rq6 h GLN 60 N 1.05 0.00 -0.06 3.45 7.50 -0.61 -3.03 115.11 123.42 1rq6 h GLN 60 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 1rq6 h GLN 60 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.90 1rq6 h GLN 60 CO 0.00 0.73 0.00 1.04 -1.50 0.00 0.00 178.83 179.10 1rq6 n GLN 61 N -3.43 1.37 0.00 1.46 1.13 0.59 -5.11 117.38 113.39 1rq6 n GLN 61 Ca 0.00 -0.55 0.10 0.00 -1.94 0.00 0.00 57.00 54.61 1rq6 n GLN 61 Cb 0.77 -1.40 0.62 0.00 0.11 0.00 0.00 30.24 30.34 1rq6 n GLN 61 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79