#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qr5 s GLU 2 N 0.00 3.02 0.01 3.17 0.41 -0.98 -4.96 118.70 119.38 1qr5 s GLU 2 Ca 0.00 -0.68 -0.28 0.00 -0.41 0.00 0.00 54.97 53.60 1qr5 s GLU 2 Cb 0.00 -2.63 0.09 0.00 -1.78 0.00 0.00 34.13 29.81 1qr5 s GLU 2 CO 0.00 -0.22 0.77 1.14 -0.49 0.00 0.00 175.26 176.46 1qr5 s GLN 3 N -4.46 0.98 -0.30 1.61 -2.07 -1.26 -1.82 119.66 112.34 1qr5 s GLN 3 Ca 0.48 -0.17 -0.11 0.00 -1.82 0.00 0.00 55.36 53.75 1qr5 s GLN 3 Cb -0.10 0.46 0.15 0.00 -1.09 0.00 0.00 33.01 32.42 1qr5 s GLN 3 CO 0.36 -0.39 0.75 -0.65 -1.32 0.00 0.00 175.29 174.04 1qr5 s GLN 4 N -2.61 0.49 0.30 9.60 -1.52 0.34 -4.96 119.66 121.30 1qr5 s GLN 4 Ca -0.01 1.19 -0.09 0.00 -1.95 0.00 0.00 55.36 54.50 1qr5 s GLN 4 Cb -0.01 0.71 -0.07 0.00 -0.22 0.00 0.00 33.01 33.43 1qr5 s GLN 4 CO -0.05 -0.21 0.63 -1.54 -0.25 0.00 0.00 175.29 173.88 1qr5 s SER 5 N 2.77 6.58 0.35 5.90 1.04 -1.26 -1.45 113.70 127.63 1qr5 s SER 5 Ca -0.03 0.97 0.05 0.00 0.48 0.00 0.00 55.95 57.42 1qr5 s SER 5 Cb -0.11 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 1qr5 s SER 5 CO -0.19 -0.20 0.36 -1.22 0.98 0.00 0.00 173.24 172.97 1qr5 n TYR 6 N -0.66 -1.04 -3.29 5.02 4.01 -0.67 -4.95 117.16 115.58 1qr5 n TYR 6 Ca 0.01 -2.70 -0.08 0.00 -0.16 0.00 0.00 57.90 54.96 1qr5 n TYR 6 Cb 0.53 0.39 -0.05 0.00 -0.31 0.00 0.00 39.34 39.90 1qr5 n TYR 6 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1qr5 s THR 7 N -3.19 -0.64 0.00 -0.72 -1.32 -1.26 -2.18 115.64 106.33 1qr5 s THR 7 Ca 0.37 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1qr5 s THR 7 Cb 0.01 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1qr5 s THR 7 CO 0.26 -0.29 0.00 -0.38 -2.21 0.00 0.00 174.62 172.00 1qr5 n ILE 8 N 4.98 0.00 -1.71 5.08 5.41 -1.01 -4.91 119.36 127.20 1qr5 n ILE 8 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1qr5 n ILE 8 Cb 0.50 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1qr5 n ILE 8 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1qr5 n ILE 9 N -1.06 0.00 -2.37 1.39 -6.64 -1.26 0.11 119.36 109.53 1qr5 n ILE 9 Ca 0.00 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.61 1qr5 n ILE 9 Cb 0.00 0.50 -0.03 0.00 -1.44 0.00 0.00 39.64 38.67 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1qr5 s ASP 10 N -0.41 6.09 0.63 7.28 -1.08 -1.22 -4.09 116.67 123.87 1qr5 s ASP 10 Ca 0.00 -2.04 0.28 0.00 -0.52 0.00 0.00 52.55 50.27 1qr5 s ASP 10 Cb 0.00 -2.58 1.50 0.00 -1.46 0.00 0.00 42.92 40.38 1qr5 s ASP 10 CO 0.00 -1.95 1.87 -0.08 0.52 0.00 0.00 175.17 175.53 1qr5 h GLU 11 N 8.62 0.00 0.18 4.34 4.81 -1.80 0.61 114.58 131.34 1qr5 h GLU 11 Ca 0.34 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.24 1qr5 h GLU 11 Cb 0.91 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.30 1qr5 h GLU 11 CO 1.36 0.00 -1.55 1.15 -0.73 0.00 0.00 179.01 179.24 1qr5 h THR 12 N 0.00 1.16 0.00 0.32 2.02 -1.85 -3.42 112.91 111.14 1qr5 h THR 12 Ca 0.09 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.55 1qr5 h THR 12 Cb 0.92 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1qr5 h THR 12 CO -0.00 0.84 0.00 0.61 0.37 0.00 0.00 175.52 177.34 1qr5 n GLY 13 N 1.72 -1.75 3.58 2.16 0.00 0.21 -4.76 105.19 106.35 1qr5 n GLY 13 Ca -0.18 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 1qr5 n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qr5 s ILE 14 N 0.00 3.51 0.00 -0.61 1.01 -1.26 -4.93 121.20 118.92 1qr5 s ILE 14 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1qr5 s ILE 14 Cb 0.00 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1qr5 s ILE 14 CO 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 174.94 173.99 1qr5 n HIS 15 N 14.53 -1.03 0.25 3.97 1.44 -1.26 -4.30 115.22 128.82 1qr5 n HIS 15 Ca 0.44 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.26 1qr5 n HIS 15 Cb 0.47 0.00 0.72 0.00 0.12 0.00 0.00 29.99 31.29 1qr5 n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qr5 h ALA 16 N -2.00 1.92 0.21 1.59 0.00 -1.99 -1.09 119.26 117.90 1qr5 h ALA 16 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qr5 h ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1qr5 h ALA 16 CO 0.00 -0.06 -0.10 -0.09 0.00 0.00 0.00 179.25 179.00 1qr5 h ARG 17 N 0.00 -0.27 -0.24 0.00 2.43 -1.97 -3.04 114.38 111.29 1qr5 h ARG 17 Ca 0.02 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1qr5 h ARG 17 Cb 0.09 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1qr5 h ARG 17 CO -0.00 -0.18 -0.09 -1.00 -1.51 0.00 0.00 179.97 177.19 1qr5 h PRO 18 N -0.87 0.39 0.59 0.20 0.13 -1.85 -2.35 132.00 128.24 1qr5 h PRO 18 Ca -0.03 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1qr5 h PRO 18 Cb 0.21 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.30 1qr5 h PRO 18 CO 0.05 0.49 -0.28 0.00 -0.23 0.00 0.00 178.00 178.02 1qr5 h ALA 19 N 1.55 -1.07 -0.65 -0.56 0.00 -1.34 -0.85 119.26 116.34 1qr5 h ALA 19 Ca 0.07 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.97 1qr5 h ALA 19 Cb 0.39 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1qr5 h ALA 19 CO 0.02 -1.01 0.45 1.15 0.00 0.00 0.00 179.25 179.86 1qr5 h THR 20 N -0.89 0.75 0.37 0.00 2.02 -1.57 -1.34 112.91 112.24 1qr5 h THR 20 Ca -0.08 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1qr5 h THR 20 Cb 0.61 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1qr5 h THR 20 CO 0.13 0.03 -0.18 0.24 0.37 0.00 0.00 175.52 176.12 1qr5 h MET 21 N 0.18 -0.47 -0.63 6.66 2.07 -1.25 -2.81 114.93 118.68 1qr5 h MET 21 Ca 0.31 0.03 0.04 0.00 -2.07 0.00 0.00 59.70 58.01 1qr5 h MET 21 Cb 0.99 0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 30.79 1qr5 h MET 21 CO -0.05 -0.20 0.42 -0.07 1.07 0.00 0.00 176.91 178.07 1qr5 h LEU 22 N -0.71 0.63 0.36 1.22 3.38 -0.31 0.21 115.31 120.09 1qr5 h LEU 22 Ca -0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1qr5 h LEU 22 Cb 0.49 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1qr5 h LEU 22 CO 0.08 0.43 -0.40 0.58 0.09 0.00 0.00 178.44 179.22 1qr5 h VAL 23 N 0.73 0.00 0.12 1.22 2.07 -1.14 0.33 116.25 119.58 1qr5 h VAL 23 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1qr5 h VAL 23 Cb 0.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1qr5 h VAL 23 CO -0.07 0.00 -0.06 -0.61 0.02 0.00 0.00 177.57 176.85 1qr5 h GLN 24 N -0.77 -0.15 0.25 1.57 4.15 -1.27 0.42 115.11 119.31 1qr5 h GLN 24 Ca -0.04 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1qr5 h GLN 24 Cb 0.68 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 1qr5 h GLN 24 CO -0.07 0.11 -0.45 1.15 -1.93 0.00 0.00 178.83 177.63 1qr5 h THR 25 N -0.40 0.00 -0.22 2.39 2.02 -0.56 0.59 112.91 116.73 1qr5 h THR 25 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1qr5 h THR 25 Cb 0.33 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1qr5 h THR 25 CO 0.03 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.06 1qr5 h ALA 26 N -0.82 0.28 -0.02 6.16 0.00 -0.42 -2.16 119.26 122.28 1qr5 h ALA 26 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qr5 h ALA 26 Cb 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1qr5 h ALA 26 CO -0.17 -0.23 0.01 0.66 0.00 0.00 0.00 179.25 179.52 1qr5 h SER 27 N 0.29 0.00 0.36 0.00 4.64 -0.70 0.13 113.55 118.27 1qr5 h SER 27 Ca 0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1qr5 h SER 27 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1qr5 h SER 27 CO -0.02 0.00 -0.17 0.11 -0.87 0.00 0.00 176.83 175.88 1qr5 h LYS 28 N 0.00 -0.47 -0.50 4.77 1.57 0.85 -3.03 116.57 119.76 1qr5 h LYS 28 Ca 0.01 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1qr5 h LYS 28 Cb 0.03 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1qr5 h LYS 28 CO -0.00 -0.21 -0.02 0.74 -0.57 0.00 0.00 179.45 179.39 1qr5 h PHE 29 N -0.66 0.92 0.00 -1.35 0.04 -1.21 -3.47 116.94 111.21 1qr5 h PHE 29 Ca -0.05 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1qr5 h PHE 29 Cb 0.47 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1qr5 h PHE 29 CO -0.01 0.85 0.00 -0.40 -0.60 0.00 0.00 178.31 178.15 1qr5 n ASP 30 N -4.20 0.00 -4.77 2.17 5.75 0.41 -4.22 116.55 111.70 1qr5 n ASP 30 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.41 1qr5 n ASP 30 Cb 0.32 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.40 1qr5 n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qr5 s SER 31 N -0.97 6.40 -0.35 -1.12 1.04 -1.26 -4.95 113.70 112.49 1qr5 s SER 31 Ca 0.00 2.52 -0.29 0.00 0.48 0.00 0.00 55.95 58.66 1qr5 s SER 31 Cb 0.00 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1qr5 s SER 31 CO 0.00 -0.78 1.12 -0.62 0.98 0.00 0.00 173.24 173.95 1qr5 s ASP 32 N -0.90 6.83 -0.35 7.02 2.15 -1.24 -4.79 116.67 125.39 1qr5 s ASP 32 Ca 0.57 0.95 -0.13 0.00 0.43 0.00 0.00 52.55 54.37 1qr5 s ASP 32 Cb -0.35 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.72 1qr5 s ASP 32 CO 0.45 -0.99 0.24 -0.63 -0.17 0.00 0.00 175.17 174.06 1qr5 s ILE 33 N 3.94 5.14 -0.50 4.11 1.01 -1.25 -1.57 121.20 132.08 1qr5 s ILE 33 Ca 0.48 -0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.56 1qr5 s ILE 33 Cb -0.12 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.71 1qr5 s ILE 33 CO 0.20 -0.06 0.76 0.00 0.00 0.00 0.00 174.94 175.84 1qr5 s GLN 34 N 1.69 3.26 -0.36 2.79 0.00 0.17 -2.71 119.66 124.51 1qr5 s GLN 34 Ca 0.05 -0.46 -0.16 0.00 -0.00 0.00 0.00 55.36 54.80 1qr5 s GLN 34 Cb -0.18 -4.03 -0.00 0.00 0.00 0.00 0.00 33.01 28.80 1qr5 s GLN 34 CO 0.10 -1.25 0.38 -1.17 0.00 0.00 0.00 175.29 173.35 1qr5 s LEU 35 N 3.19 4.54 0.64 2.60 0.20 0.27 -1.07 118.68 129.05 1qr5 s LEU 35 Ca 0.24 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.73 1qr5 s LEU 35 Cb -0.15 -2.35 0.09 0.00 -0.43 0.00 0.00 46.19 43.35 1qr5 s LEU 35 CO 0.17 -0.39 0.90 -1.61 -0.29 0.00 0.00 176.35 175.13 1qr5 s GLU 36 N 2.04 2.06 0.20 1.98 8.01 0.89 -2.74 118.70 131.13 1qr5 s GLU 36 Ca 0.12 -1.02 0.03 0.00 0.01 0.00 0.00 54.97 54.10 1qr5 s GLU 36 Cb -0.17 -2.41 -0.05 0.00 -4.31 0.00 0.00 34.13 27.19 1qr5 s GLU 36 CO 0.12 -1.12 0.00 -0.47 0.01 0.00 0.00 175.26 173.80 1qr5 s TYR 37 N -2.96 1.37 -0.03 1.61 5.04 -0.63 -2.48 117.35 119.27 1qr5 s TYR 37 Ca 0.62 -0.98 0.14 0.00 -2.44 0.00 0.00 57.07 54.41 1qr5 s TYR 37 Cb -0.07 -0.79 0.77 0.00 0.35 0.00 0.00 41.96 42.22 1qr5 s TYR 37 CO 0.42 -0.14 1.34 0.27 -1.34 0.00 0.00 175.55 176.10 1qr5 n ASN 38 N -0.32 0.37 -2.69 4.32 6.94 -0.64 -2.31 115.26 120.92 1qr5 n ASN 38 Ca -0.06 0.58 -0.07 0.00 -0.02 0.00 0.00 54.58 55.02 1qr5 n ASN 38 Cb 0.64 -0.55 0.10 0.00 -2.36 0.00 0.00 39.78 37.60 1qr5 n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qr5 n GLY 39 N -1.28 1.43 3.72 4.83 0.00 -1.26 -5.12 105.19 107.50 1qr5 n GLY 39 Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.57 1qr5 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qr5 s LYS 40 N -0.76 0.54 -0.30 1.61 2.47 -0.98 -5.09 119.74 117.24 1qr5 s LYS 40 Ca 0.23 -0.32 -0.01 0.00 -1.56 0.00 0.00 55.97 54.31 1qr5 s LYS 40 Cb 0.42 0.17 0.19 0.00 -1.46 0.00 0.00 37.83 37.15 1qr5 s LYS 40 CO -0.06 -0.25 0.61 0.21 0.16 0.00 0.00 175.35 176.02 1qr5 s LYS 41 N -2.41 0.56 0.31 4.03 2.36 -1.26 -1.60 119.74 121.73 1qr5 s LYS 41 Ca 0.17 0.98 -0.08 0.00 -2.55 0.00 0.00 55.97 54.50 1qr5 s LYS 41 Cb 0.03 0.54 0.03 0.00 -1.05 0.00 0.00 37.83 37.38 1qr5 s LYS 41 CO -0.02 -0.63 0.55 1.33 1.55 0.00 0.00 175.35 178.14 1qr5 n VAL 42 N 5.43 0.00 -2.94 4.02 0.24 -1.11 -4.98 118.33 118.99 1qr5 n VAL 42 Ca -0.01 -1.12 -0.40 0.00 -2.04 0.00 0.00 64.34 60.77 1qr5 n VAL 42 Cb 0.51 0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 33.70 1qr5 n VAL 42 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1qr5 s ASN 43 N -2.77 7.33 -0.58 -1.34 2.47 -1.26 0.95 114.94 119.74 1qr5 s ASN 43 Ca 0.18 1.58 -0.04 0.00 0.42 0.00 0.00 52.86 55.01 1qr5 s ASN 43 Cb -0.03 -2.50 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 1qr5 s ASN 43 CO 0.13 0.09 1.87 0.00 -3.72 0.00 0.00 177.10 175.47 1qr5 n LEU 44 N 2.27 3.57 0.15 3.21 -0.00 -1.10 -4.36 117.00 120.75 1qr5 n LEU 44 Ca -0.03 -2.33 0.12 0.00 -0.00 0.00 0.00 56.01 53.77 1qr5 n LEU 44 Cb 0.49 -0.90 0.54 0.00 -0.00 0.00 0.00 43.42 43.56 1qr5 n LEU 44 CO 0.47 0.27 0.85 1.17 -0.00 0.00 0.00 177.39 180.15 1qr5 n LYS 45 N 4.07 0.18 0.00 1.47 4.81 -1.26 -4.85 118.16 122.57 1qr5 n LYS 45 Ca 0.32 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1qr5 n LYS 45 Cb 0.16 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.28 1qr5 n LYS 45 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1qr5 n SER 46 N -2.28 0.00 0.07 3.14 7.64 -1.26 -4.52 113.62 116.40 1qr5 n SER 46 Ca 0.01 0.00 0.21 0.00 1.01 0.00 0.00 58.87 60.09 1qr5 n SER 46 Cb 0.15 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.09 1qr5 n SER 46 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1qr5 h ILE 47 N 0.00 0.40 0.00 0.44 2.04 -1.96 -3.39 117.51 115.03 1qr5 h ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1qr5 h ILE 47 Cb 0.00 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1qr5 h ILE 47 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 178.15 178.95 1qr5 n MET 48 N -3.78 0.00 -0.10 2.37 0.00 -1.26 -4.92 117.12 109.43 1qr5 n MET 48 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.70 57.72 1qr5 n MET 48 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.87 1qr5 n MET 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1qr5 h GLY 49 N 0.00 -0.07 1.47 -5.12 0.00 -1.79 0.32 103.07 97.87 1qr5 h GLY 49 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.55 1qr5 h GLY 49 CO 0.00 -0.20 -0.20 -0.39 0.00 0.00 0.00 176.54 175.75 1qr5 h VAL 50 N -0.20 1.26 -0.20 4.60 -1.51 -1.79 -2.80 116.25 115.61 1qr5 h VAL 50 Ca 0.18 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1qr5 h VAL 50 Cb 0.47 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1qr5 h VAL 50 CO -0.48 0.41 0.13 0.24 -1.23 0.00 0.00 177.57 176.64 1qr5 h MET 51 N 0.55 0.26 0.02 5.19 2.86 -1.37 0.37 114.93 122.82 1qr5 h MET 51 Ca 0.09 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1qr5 h MET 51 Cb 0.65 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1qr5 h MET 51 CO 0.05 0.17 -0.10 0.66 1.06 0.00 0.00 176.91 178.75 1qr5 h SER 52 N 0.27 -0.28 0.70 1.22 4.64 -0.32 -1.65 113.55 118.13 1qr5 h SER 52 Ca 0.08 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1qr5 h SER 52 Cb -0.02 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1qr5 h SER 52 CO -0.02 -0.15 0.00 0.17 -0.87 0.00 0.00 176.83 175.96 1qr5 h LEU 53 N -0.18 0.00 -2.15 5.97 8.10 -1.35 -3.48 115.31 122.22 1qr5 h LEU 53 Ca 0.03 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.03 1qr5 h LEU 53 Cb 0.22 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.36 1qr5 h LEU 53 CO -0.09 0.00 -1.11 0.61 -4.11 0.00 0.00 178.44 173.74 1qr5 n GLY 54 N -0.30 -4.84 2.73 0.17 0.00 0.11 -4.90 105.19 98.16 1qr5 n GLY 54 Ca -0.00 0.98 -0.40 0.00 0.00 0.00 0.00 46.02 46.59 1qr5 n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qr5 n VAL 55 N 1.32 5.23 -0.04 1.61 0.31 -1.24 -4.91 118.33 120.61 1qr5 n VAL 55 Ca -0.25 -5.45 0.00 0.00 -0.01 0.00 0.00 64.34 58.63 1qr5 n VAL 55 Cb 0.39 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1qr5 n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qr5 n GLY 56 N -0.22 -1.40 3.74 2.92 0.00 -1.25 -3.71 105.19 105.27 1qr5 n GLY 56 Ca 0.49 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1qr5 n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qr5 s LYS 57 N -0.14 4.53 0.00 1.61 2.20 -1.24 -2.34 119.74 124.36 1qr5 s LYS 57 Ca 0.00 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1qr5 s LYS 57 Cb 0.00 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1qr5 s LYS 57 CO 0.00 -0.04 0.00 -0.25 -0.36 0.00 0.00 175.35 174.70 1qr5 n ASP 58 N 2.57 -3.33 -4.66 1.43 9.92 0.12 -4.89 116.55 117.71 1qr5 n ASP 58 Ca 0.04 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.88 1qr5 n ASP 58 Cb 0.45 -0.94 -0.03 0.00 -0.64 0.00 0.00 41.12 39.96 1qr5 n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qr5 s ALA 59 N -1.91 3.55 -0.09 2.24 0.00 -0.99 -4.72 121.76 119.85 1qr5 s ALA 59 Ca 0.00 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.08 1qr5 s ALA 59 Cb 0.00 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 1qr5 s ALA 59 CO 0.00 -1.60 0.32 -1.83 0.00 0.00 0.00 175.76 172.66 1qr5 s GLU 60 N 4.48 3.98 0.25 0.00 4.04 -1.26 -2.40 118.70 127.79 1qr5 s GLU 60 Ca 0.87 0.21 0.02 0.00 0.04 0.00 0.00 54.97 56.10 1qr5 s GLU 60 Cb -0.41 -3.30 -0.04 0.00 0.02 0.00 0.00 34.13 30.40 1qr5 s GLU 60 CO 0.40 0.51 0.17 0.96 -1.84 0.00 0.00 175.26 175.45 1qr5 s ILE 61 N -0.41 0.11 -0.28 1.83 -4.36 -0.93 -1.62 121.20 115.54 1qr5 s ILE 61 Ca 0.20 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1qr5 s ILE 61 Cb -0.14 -2.51 0.15 0.00 1.25 0.00 0.00 42.46 41.20 1qr5 s ILE 61 CO 0.08 0.00 0.40 -0.89 0.24 0.00 0.00 174.94 174.77 1qr5 s THR 62 N -3.86 -0.62 0.16 8.37 2.01 -1.03 -1.68 115.64 118.98 1qr5 s THR 62 Ca 0.39 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 1qr5 s THR 62 Cb 0.06 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.56 1qr5 s THR 62 CO 0.17 -0.26 0.43 -0.63 -0.69 0.00 0.00 174.62 173.64 1qr5 s ILE 63 N 2.54 5.09 -0.18 1.82 -1.09 -0.53 -0.08 121.20 128.78 1qr5 s ILE 63 Ca 0.10 0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.71 1qr5 s ILE 63 Cb -0.13 -3.63 0.09 0.00 -1.58 0.00 0.00 42.46 37.21 1qr5 s ILE 63 CO -0.27 0.05 0.26 -0.31 -1.23 0.00 0.00 174.94 173.45 1qr5 s TYR 64 N -1.66 -0.42 -0.20 3.97 1.51 -0.24 -0.50 117.35 119.81 1qr5 s TYR 64 Ca 0.41 0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 56.95 1qr5 s TYR 64 Cb -0.12 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1qr5 s TYR 64 CO 0.23 -0.52 0.35 0.00 -1.11 0.00 0.00 175.55 174.50 1qr5 s ALA 65 N 2.40 3.57 -0.34 3.71 0.00 -0.76 0.42 121.76 130.76 1qr5 s ALA 65 Ca 0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1qr5 s ALA 65 Cb -0.14 -2.54 0.13 0.00 0.00 0.00 0.00 23.12 20.56 1qr5 s ALA 65 CO -0.11 -0.20 0.19 -0.51 0.00 0.00 0.00 175.76 175.13 1qr5 s ASP 66 N 0.92 3.11 0.00 0.00 1.11 -0.61 -1.06 116.67 120.13 1qr5 s ASP 66 Ca 0.17 -1.97 0.00 0.00 0.18 0.00 0.00 52.55 50.94 1qr5 s ASP 66 Cb -0.14 -0.39 0.00 0.00 1.07 0.00 0.00 42.92 43.46 1qr5 s ASP 66 CO 0.07 -0.34 0.00 0.61 1.18 0.00 0.00 175.17 176.69 1qr5 n GLY 67 N 4.34 -1.94 2.01 0.21 0.00 -1.26 -3.67 105.19 104.87 1qr5 n GLY 67 Ca 0.08 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1qr5 n GLY 67 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qr5 n SER 68 N -0.93 -0.12 -2.61 1.61 2.88 -1.26 -4.91 113.62 108.29 1qr5 n SER 68 Ca 0.00 0.07 -0.28 0.00 -1.33 0.00 0.00 58.87 57.33 1qr5 n SER 68 Cb 0.00 0.21 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 1qr5 n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1qr5 n ASP 69 N -2.63 6.64 0.24 -3.46 8.00 -1.26 -4.60 116.55 119.48 1qr5 n ASP 69 Ca 0.00 -3.15 0.11 0.00 0.71 0.00 0.00 54.79 52.47 1qr5 n ASP 69 Cb 0.00 -1.27 0.54 0.00 -0.02 0.00 0.00 41.12 40.37 1qr5 n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1qr5 h GLU 70 N 3.25 0.00 0.00 -1.24 4.11 -1.91 -2.29 114.58 116.50 1qr5 h GLU 70 Ca 0.43 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.75 1qr5 h GLU 70 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1qr5 h GLU 70 CO 0.93 0.19 -0.70 0.00 0.07 0.00 0.00 179.01 179.49 1qr5 h ALA 71 N 1.81 0.12 -0.90 1.06 0.00 -1.89 -3.27 119.26 116.20 1qr5 h ALA 71 Ca -0.00 -0.78 0.17 0.00 0.00 0.00 0.00 54.91 54.29 1qr5 h ALA 71 Cb 0.64 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1qr5 h ALA 71 CO 0.02 0.44 0.58 0.22 0.00 0.00 0.00 179.25 180.52 1qr5 h ASP 72 N -1.00 0.58 0.04 0.00 1.82 -1.94 -1.32 116.42 114.61 1qr5 h ASP 72 Ca -0.16 0.05 0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1qr5 h ASP 72 Cb 0.93 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.83 1qr5 h ASP 72 CO -0.10 0.26 -0.30 0.00 -1.61 0.00 0.00 179.24 177.50 1qr5 h ALA 73 N 1.61 -0.45 -0.81 -0.78 0.00 -1.54 -2.62 119.26 114.67 1qr5 h ALA 73 Ca 0.47 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.51 1qr5 h ALA 73 Cb 0.89 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 19.04 1qr5 h ALA 73 CO -0.21 -0.82 -0.26 0.82 0.00 0.00 0.00 179.25 178.77 1qr5 h ILE 74 N -0.47 0.14 0.09 0.00 1.08 -1.28 1.14 117.51 118.20 1qr5 h ILE 74 Ca 0.05 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1qr5 h ILE 74 Cb 0.54 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.43 1qr5 h ILE 74 CO -0.22 0.00 -0.06 1.56 -0.69 0.00 0.00 178.15 178.74 1qr5 h GLN 75 N -0.03 -0.13 -0.45 2.37 7.50 -1.48 -0.58 115.11 122.30 1qr5 h GLN 75 Ca 0.36 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.57 1qr5 h GLN 75 Cb 0.60 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.13 1qr5 h GLN 75 CO -0.84 -0.09 0.30 0.00 -1.50 0.00 0.00 178.83 176.71 1qr5 h ALA 76 N -1.80 1.93 -0.69 3.87 0.00 -1.21 -1.04 119.26 120.32 1qr5 h ALA 76 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qr5 h ALA 76 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1qr5 h ALA 76 CO 0.01 -0.00 0.28 0.82 0.00 0.00 0.00 179.25 180.35 1qr5 h ILE 77 N 0.39 1.24 0.77 0.00 1.08 0.14 -2.51 117.51 118.63 1qr5 h ILE 77 Ca 0.20 -0.74 -0.03 0.00 -0.39 0.00 0.00 64.86 63.89 1qr5 h ILE 77 Cb 0.28 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.43 1qr5 h ILE 77 CO -0.05 0.30 -0.49 0.74 -0.69 0.00 0.00 178.15 177.96 1qr5 h THR 78 N 1.00 0.00 -0.99 -0.27 2.02 0.26 0.14 112.91 115.07 1qr5 h THR 78 Ca 0.23 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.77 1qr5 h THR 78 Cb 0.19 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.43 1qr5 h THR 78 CO -0.02 0.00 0.47 0.44 0.37 0.00 0.00 175.52 176.78 1qr5 h ASP 79 N -1.19 0.27 0.48 4.18 3.32 -1.30 2.30 116.42 124.49 1qr5 h ASP 79 Ca -0.10 0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1qr5 h ASP 79 Cb 0.96 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1qr5 h ASP 79 CO 0.10 -0.31 -0.23 0.58 -1.72 0.00 0.00 179.24 177.65 1qr5 h VAL 80 N 0.12 0.00 0.00 -1.35 2.07 -0.93 -2.12 116.25 114.04 1qr5 h VAL 80 Ca 0.76 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 68.08 1qr5 h VAL 80 Cb 1.87 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1qr5 h VAL 80 CO -0.72 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 176.72 1qr5 h LEU 81 N -0.83 0.00 -1.48 2.57 3.38 0.71 -0.90 115.31 118.76 1qr5 h LEU 81 Ca -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1qr5 h LEU 81 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1qr5 h LEU 81 CO 0.11 0.08 -0.08 0.77 0.09 0.00 0.00 178.44 179.41 1qr5 h SER 82 N 0.00 0.22 -0.13 -0.43 4.64 0.38 -2.02 113.55 116.21 1qr5 h SER 82 Ca -0.00 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1qr5 h SER 82 Cb 0.16 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1qr5 h SER 82 CO 0.01 0.34 0.11 0.11 -0.87 0.00 0.00 176.83 176.53 1qr5 h LYS 83 N 0.23 0.00 -0.47 4.77 1.79 -0.45 -1.12 116.57 121.33 1qr5 h LYS 83 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1qr5 h LYS 83 Cb 0.29 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1qr5 h LYS 83 CO 0.01 0.00 0.29 0.93 -1.08 0.00 0.00 179.45 179.61 1qr5 h GLU 84 N 0.00 0.63 0.00 3.15 5.08 -1.48 -0.85 114.58 121.11 1qr5 h GLU 84 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1qr5 h GLU 84 Cb 0.27 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1qr5 h GLU 84 CO -0.00 0.43 0.00 0.41 -1.00 0.00 0.00 179.01 178.85 1qr5 n GLY 85 N -1.42 -1.19 0.13 -3.84 0.00 -0.42 -2.84 105.19 95.62 1qr5 n GLY 85 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1qr5 n GLY 85 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1qr5 n LEU 86 N -1.58 0.37 0.00 0.99 -0.00 -0.32 -4.54 117.00 111.91 1qr5 n LEU 86 Ca 0.04 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1qr5 n LEU 86 Cb 0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1qr5 n LEU 86 CO 0.18 0.09 0.00 0.35 -0.00 0.00 0.00 177.39 178.01 1qr5 n THR 87 N -0.33 0.00 1.62 1.47 -2.24 -1.13 -5.14 114.28 108.53 1qr5 n THR 87 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1qr5 n THR 87 Cb 0.07 -0.16 0.77 0.00 -2.10 0.00 0.00 70.33 68.90 1qr5 n THR 87 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71