#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 3.18 0.01 2.12 2.56 0.54 -4.96 118.70 122.16 1qr5 s GLU 2 Ca 0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 54.97 54.12 1qr5 s GLU 2 Cb 0.00 -2.69 0.04 0.00 2.00 0.00 0.00 34.13 33.48 1qr5 s GLU 2 CO 0.00 -0.04 0.44 1.14 -0.56 0.00 0.00 175.26 176.24 1qr5 s GLN 3 N -4.35 0.88 0.22 4.30 1.03 -1.26 -2.04 119.66 118.45 1qr5 s GLN 3 Ca 0.45 -0.19 -0.21 0.00 0.04 0.00 0.00 55.36 55.44 1qr5 s GLN 3 Cb -0.10 0.40 0.04 0.00 0.03 0.00 0.00 33.01 33.38 1qr5 s GLN 3 CO 0.35 -0.29 0.65 -1.14 -2.54 0.00 0.00 175.29 172.32 1qr5 s GLN 4 N -1.91 1.55 -0.17 9.60 2.00 0.18 -4.99 119.66 125.92 1qr5 s GLN 4 Ca -0.09 -0.77 -0.18 0.00 -2.00 0.00 0.00 55.36 52.32 1qr5 s GLN 4 Cb -0.02 0.59 0.05 0.00 0.80 0.00 0.00 33.01 34.43 1qr5 s GLN 4 CO 0.02 -0.69 0.50 -1.54 -0.50 0.00 0.00 175.29 173.07 1qr5 s SER 5 N -2.85 -0.51 0.00 6.67 1.04 -1.26 -0.16 113.70 116.64 1qr5 s SER 5 Ca 0.07 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1qr5 s SER 5 Cb -0.04 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.04 1qr5 s SER 5 CO -0.02 -0.21 0.00 -1.22 0.98 0.00 0.00 173.24 172.77 1qr5 n TYR 6 N 2.63 -0.01 -3.28 5.02 4.01 -0.84 -4.97 117.16 119.72 1qr5 n TYR 6 Ca -0.14 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.55 1qr5 n TYR 6 Cb 0.57 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.54 1qr5 n TYR 6 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1qr5 s THR 7 N -1.31 -0.72 0.10 -0.72 2.01 -1.26 -2.37 115.64 111.36 1qr5 s THR 7 Ca 0.00 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1qr5 s THR 7 Cb 0.00 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1qr5 s THR 7 CO 0.00 -0.13 0.13 -0.38 -0.69 0.00 0.00 174.62 173.55 1qr5 n ILE 8 N 5.38 0.00 -1.30 1.82 5.41 -0.65 -4.89 119.36 125.14 1qr5 n ILE 8 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1qr5 n ILE 8 Cb 0.50 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 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 -1.12 0.00 -2.25 1.39 -5.35 -1.26 0.71 119.36 111.47 1qr5 n ILE 9 Ca 0.02 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.17 1qr5 n ILE 9 Cb 0.11 0.73 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1qr5 s ASP 10 N -0.05 5.69 0.62 7.28 2.15 -1.23 -4.36 116.67 126.76 1qr5 s ASP 10 Ca 0.00 -1.58 0.27 0.00 0.43 0.00 0.00 52.55 51.67 1qr5 s ASP 10 Cb 0.00 -2.58 1.34 0.00 -0.30 0.00 0.00 42.92 41.39 1qr5 s ASP 10 CO 0.00 -2.33 1.76 -0.33 -0.17 0.00 0.00 175.17 174.10 1qr5 h GLU 11 N 9.62 0.00 0.16 4.34 5.08 -1.78 0.76 114.58 132.75 1qr5 h GLU 11 Ca 0.24 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.29 1qr5 h GLU 11 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1qr5 h GLU 11 CO 1.31 0.00 -1.50 1.15 -1.00 0.00 0.00 179.01 178.97 1qr5 h THR 12 N 0.00 1.21 -3.69 1.13 2.02 -1.86 -3.40 112.91 108.32 1qr5 h THR 12 Ca 0.18 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1qr5 h THR 12 Cb 1.34 2.85 -0.03 0.00 -1.74 0.00 0.00 68.15 70.57 1qr5 h THR 12 CO -0.00 0.84 -0.45 0.61 0.37 0.00 0.00 175.52 176.89 1qr5 n GLY 13 N 1.68 -3.56 1.32 2.16 0.00 0.27 -4.79 105.19 102.27 1qr5 n GLY 13 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qr5 n GLY 13 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qr5 n ILE 14 N 0.42 -6.28 -3.61 -0.61 2.08 -1.26 -4.57 119.36 105.54 1qr5 n ILE 14 Ca -0.08 1.90 -0.02 0.00 0.56 0.00 0.00 62.75 65.11 1qr5 n ILE 14 Cb 0.12 -3.28 -0.06 0.00 -0.75 0.00 0.00 39.64 35.68 1qr5 n ILE 14 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 1qr5 s HIS 15 N -1.09 -0.67 0.00 1.39 -3.43 -1.26 -4.98 115.29 105.24 1qr5 s HIS 15 Ca 0.00 1.31 0.00 0.00 -0.80 0.00 0.00 55.06 55.57 1qr5 s HIS 15 Cb 0.00 0.40 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 1qr5 s HIS 15 CO 0.00 -0.33 0.00 0.00 -2.00 0.00 0.00 174.74 172.41 1qr5 n ALA 16 N 4.03 0.00 0.00 -1.38 0.00 -1.26 -4.00 120.51 117.90 1qr5 n ALA 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1qr5 n ALA 16 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1qr5 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qr5 n ARG 17 N -0.07 0.00 -0.30 0.00 1.74 -1.26 0.67 116.66 117.43 1qr5 n ARG 17 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1qr5 n ARG 17 Cb 0.00 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 31.70 1qr5 n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1qr5 h PRO 18 N 0.00 0.52 0.60 5.56 0.13 -1.83 -0.43 132.00 136.55 1qr5 h PRO 18 Ca 0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1qr5 h PRO 18 Cb 0.00 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.02 1qr5 h PRO 18 CO 0.00 0.34 -0.29 0.00 -0.23 0.00 0.00 178.00 177.82 1qr5 h ALA 19 N 1.63 -1.20 -0.60 -0.56 0.00 0.03 -0.44 119.26 118.11 1qr5 h ALA 19 Ca 0.51 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.39 1qr5 h ALA 19 Cb 0.84 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1qr5 h ALA 19 CO -0.43 -1.14 0.42 1.15 0.00 0.00 0.00 179.25 179.24 1qr5 h THR 20 N -0.82 0.77 0.14 0.00 2.02 -1.67 -1.75 112.91 111.61 1qr5 h THR 20 Ca -0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1qr5 h THR 20 Cb 0.62 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1qr5 h THR 20 CO 0.14 0.03 -0.07 0.24 0.37 0.00 0.00 175.52 176.23 1qr5 h MET 21 N 0.18 -0.18 -0.81 6.66 2.07 -0.84 -2.83 114.93 119.18 1qr5 h MET 21 Ca 0.29 0.01 0.08 0.00 -2.07 0.00 0.00 59.70 58.02 1qr5 h MET 21 Cb 0.90 0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 30.62 1qr5 h MET 21 CO -0.05 0.08 0.53 1.25 1.07 0.00 0.00 176.91 179.79 1qr5 h LEU 22 N -0.44 0.71 0.54 1.22 6.46 -0.21 0.78 115.31 124.38 1qr5 h LEU 22 Ca -0.02 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1qr5 h LEU 22 Cb 0.35 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1qr5 h LEU 22 CO 0.03 0.44 -0.48 0.58 -0.62 0.00 0.00 178.44 178.39 1qr5 h VAL 23 N 0.80 0.00 0.08 1.05 2.07 -1.27 0.33 116.25 119.31 1qr5 h VAL 23 Ca 0.36 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.88 1qr5 h VAL 23 Cb 0.36 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1qr5 h VAL 23 CO -0.14 0.00 -0.04 -0.61 0.02 0.00 0.00 177.57 176.80 1qr5 h GLN 24 N -1.01 -0.10 0.20 1.57 4.15 -1.22 -0.09 115.11 118.61 1qr5 h GLN 24 Ca -0.07 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.36 1qr5 h GLN 24 Cb 0.86 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.53 1qr5 h GLN 24 CO -0.02 0.22 -0.52 1.15 -1.93 0.00 0.00 178.83 177.72 1qr5 h THR 25 N -0.43 0.00 -0.16 2.39 2.02 0.58 0.65 112.91 117.96 1qr5 h THR 25 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1qr5 h THR 25 Cb 0.37 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1qr5 h THR 25 CO 0.02 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.99 1qr5 h ALA 26 N -0.64 0.20 -0.13 6.16 0.00 -0.42 -2.36 119.26 122.07 1qr5 h ALA 26 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1qr5 h ALA 26 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1qr5 h ALA 26 CO -0.24 -0.25 0.10 1.03 0.00 0.00 0.00 179.25 179.89 1qr5 h SER 27 N 0.14 0.00 -0.01 0.00 0.87 -0.77 0.45 113.55 114.23 1qr5 h SER 27 Ca 0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1qr5 h SER 27 Cb 0.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1qr5 h SER 27 CO -0.01 0.00 0.00 0.11 -0.53 0.00 0.00 176.83 176.40 1qr5 h LYS 28 N 0.00 0.02 -0.65 2.24 1.57 0.83 -3.10 116.57 117.49 1qr5 h LYS 28 Ca 0.06 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1qr5 h LYS 28 Cb 0.26 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1qr5 h LYS 28 CO -0.00 0.32 0.16 0.74 -0.57 0.00 0.00 179.45 180.10 1qr5 h PHE 29 N -0.28 1.09 0.00 -1.35 0.04 -1.05 -3.46 116.94 111.93 1qr5 h PHE 29 Ca 0.00 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1qr5 h PHE 29 Cb 0.31 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1qr5 h PHE 29 CO 0.03 0.91 0.00 -0.40 -0.60 0.00 0.00 178.31 178.25 1qr5 n ASP 30 N -4.30 0.00 -4.75 2.17 5.75 0.08 -4.29 116.55 111.21 1qr5 n ASP 30 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.49 1qr5 n ASP 30 Cb 0.25 -0.36 0.07 0.00 -1.03 0.00 0.00 41.12 40.05 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 -3.50 4.71 0.30 -1.12 1.04 -1.26 -4.98 113.70 108.89 1qr5 s SER 31 Ca 0.00 2.14 -0.29 0.00 0.48 0.00 0.00 55.95 58.29 1qr5 s SER 31 Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1qr5 s SER 31 CO 0.00 -1.90 1.11 -0.62 0.98 0.00 0.00 173.24 172.81 1qr5 s ASP 32 N -2.36 7.16 -0.18 7.02 -1.08 0.18 -4.82 116.67 122.59 1qr5 s ASP 32 Ca 0.70 2.29 -0.04 0.00 -0.52 0.00 0.00 52.55 54.98 1qr5 s ASP 32 Cb -0.24 -2.63 0.09 0.00 -1.46 0.00 0.00 42.92 38.68 1qr5 s ASP 32 CO 0.43 -0.22 0.27 -0.51 0.52 0.00 0.00 175.17 175.65 1qr5 s ILE 33 N -1.21 -0.41 -0.19 4.11 2.07 -1.25 0.78 121.20 125.10 1qr5 s ILE 33 Ca 0.46 0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.69 1qr5 s ILE 33 Cb -0.32 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 1qr5 s ILE 33 CO 0.41 -0.06 0.06 0.00 -1.91 0.00 0.00 174.94 173.43 1qr5 s GLN 34 N 2.40 3.92 -0.19 3.50 0.00 0.87 -2.24 119.66 127.92 1qr5 s GLN 34 Ca 0.06 -0.37 -0.02 0.00 -0.00 0.00 0.00 55.36 55.02 1qr5 s GLN 34 Cb -0.14 -3.20 -0.00 0.00 0.00 0.00 0.00 33.01 29.66 1qr5 s GLN 34 CO -0.11 0.22 -0.09 -1.17 0.00 0.00 0.00 175.29 174.14 1qr5 s LEU 35 N 0.50 2.71 0.56 2.60 0.20 -0.49 0.10 118.68 124.86 1qr5 s LEU 35 Ca 0.03 -0.43 0.09 0.00 0.69 0.00 0.00 54.13 54.51 1qr5 s LEU 35 Cb -0.13 -1.66 0.08 0.00 -0.43 0.00 0.00 46.19 44.05 1qr5 s LEU 35 CO 0.01 0.02 0.75 -1.61 -0.29 0.00 0.00 176.35 175.23 1qr5 s GLU 36 N 1.22 2.35 0.23 1.98 8.01 0.94 -2.54 118.70 130.89 1qr5 s GLU 36 Ca 0.02 -1.63 0.06 0.00 0.01 0.00 0.00 54.97 53.43 1qr5 s GLU 36 Cb -0.14 -2.63 -0.05 0.00 -4.31 0.00 0.00 34.13 27.00 1qr5 s GLU 36 CO -0.04 -0.80 -0.08 -0.47 0.01 0.00 0.00 175.26 173.89 1qr5 s TYR 37 N -2.65 1.69 -0.41 1.61 5.04 -0.89 -2.46 117.35 119.29 1qr5 s TYR 37 Ca 0.60 -0.72 0.09 0.00 -2.44 0.00 0.00 57.07 54.59 1qr5 s TYR 37 Cb -0.06 -0.90 0.47 0.00 0.35 0.00 0.00 41.96 41.82 1qr5 s TYR 37 CO 0.38 0.20 1.18 0.27 -1.34 0.00 0.00 175.55 176.24 1qr5 n ASN 38 N -0.43 0.22 -2.70 4.32 6.94 0.16 -2.43 115.26 121.35 1qr5 n ASN 38 Ca -0.07 0.52 -0.06 0.00 -0.02 0.00 0.00 54.58 54.96 1qr5 n ASN 38 Cb 0.62 -0.52 0.10 0.00 -2.36 0.00 0.00 39.78 37.63 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 -1.33 1.56 3.07 4.83 0.00 -1.26 -5.09 105.19 106.96 1qr5 n GLY 39 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1qr5 n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qr5 n LYS 40 N -0.75 0.20 -3.65 1.61 4.81 -1.02 -5.17 118.16 114.19 1qr5 n LYS 40 Ca -0.04 -0.69 -0.03 0.00 -0.87 0.00 0.00 58.31 56.67 1qr5 n LYS 40 Cb 0.85 1.09 -0.05 0.00 0.02 0.00 0.00 35.03 36.93 1qr5 n LYS 40 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1qr5 s LYS 41 N -2.02 0.58 0.18 1.64 2.36 -1.26 -2.09 119.74 119.13 1qr5 s LYS 41 Ca 0.22 1.34 -0.03 0.00 -2.55 0.00 0.00 55.97 54.96 1qr5 s LYS 41 Cb -0.01 0.62 0.01 0.00 -1.05 0.00 0.00 37.83 37.40 1qr5 s LYS 41 CO 0.00 -0.19 0.29 1.33 1.55 0.00 0.00 175.35 178.33 1qr5 n VAL 42 N 5.13 0.00 -3.01 4.02 0.24 -1.05 -5.00 118.33 118.65 1qr5 n VAL 42 Ca -0.14 -0.75 -0.36 0.00 -2.04 0.00 0.00 64.34 61.05 1qr5 n VAL 42 Cb 0.52 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 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 -2.05 7.10 -0.53 -1.34 2.47 -1.26 -1.40 114.94 117.94 1qr5 s ASN 43 Ca 0.12 1.52 -0.04 0.00 0.42 0.00 0.00 52.86 54.89 1qr5 s ASN 43 Cb -0.01 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.29 1qr5 s ASN 43 CO 0.09 -0.02 1.75 -0.11 -3.72 0.00 0.00 177.10 175.08 1qr5 n LEU 44 N 0.55 3.17 -0.02 3.21 0.00 -0.95 -4.44 117.00 118.53 1qr5 n LEU 44 Ca -0.00 -2.18 -0.13 0.00 0.00 0.00 0.00 56.01 53.70 1qr5 n LEU 44 Cb 0.51 -0.85 -0.09 0.00 0.00 0.00 0.00 43.42 42.98 1qr5 n LEU 44 CO 0.43 0.07 0.64 0.11 0.00 0.00 0.00 177.39 178.64 1qr5 h LYS 45 N 6.56 0.05 0.00 1.96 1.57 -1.91 -3.47 116.57 121.34 1qr5 h LYS 45 Ca 0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1qr5 h LYS 45 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1qr5 h LYS 45 CO 1.17 0.50 0.00 -1.13 -0.57 0.00 0.00 179.45 179.42 1qr5 n SER 46 N -4.82 0.00 0.13 0.86 3.41 -1.26 -4.49 113.62 107.45 1qr5 n SER 46 Ca -0.08 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.72 1qr5 n SER 46 Cb 0.26 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 64.98 1qr5 n SER 46 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1qr5 h ILE 47 N 0.00 0.40 0.00 -1.33 2.04 -1.92 -3.39 117.51 113.31 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 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 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 -3.72 0.00 -0.08 2.37 0.00 -1.26 -4.95 117.12 109.48 1qr5 n MET 48 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.70 57.65 1qr5 n MET 48 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.70 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 -0.50 0.57 -5.12 0.00 -1.86 0.58 103.07 96.75 1qr5 h GLY 49 Ca 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1qr5 h GLY 49 CO 0.00 -0.20 -0.01 -0.39 0.00 0.00 0.00 176.54 175.94 1qr5 h VAL 50 N -0.36 1.31 -0.90 4.60 -1.51 -1.80 -2.86 116.25 114.73 1qr5 h VAL 50 Ca 0.13 -0.99 0.01 0.00 -1.23 0.00 0.00 66.70 64.61 1qr5 h VAL 50 Cb 0.58 1.98 -0.04 0.00 -2.13 0.00 0.00 31.29 31.67 1qr5 h VAL 50 CO -0.49 0.25 0.58 0.00 -1.23 0.00 0.00 177.57 176.69 1qr5 h MET 51 N -0.45 1.20 -0.23 5.19 -0.00 -1.72 -0.92 114.93 118.00 1qr5 h MET 51 Ca -0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 59.70 59.64 1qr5 h MET 51 Cb 0.43 -0.26 -0.02 0.00 -0.00 0.00 0.00 31.60 31.75 1qr5 h MET 51 CO 0.00 0.80 0.09 0.66 -0.00 0.00 0.00 176.91 178.47 1qr5 h SER 52 N 1.23 0.11 -0.12 -0.10 4.64 0.14 -2.33 113.55 117.12 1qr5 h SER 52 Ca 0.33 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.59 1qr5 h SER 52 Cb -0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1qr5 h SER 52 CO -0.07 0.10 -0.16 0.17 -0.87 0.00 0.00 176.83 176.00 1qr5 h LEU 53 N 0.20 0.49 0.00 5.97 8.10 -1.25 -3.48 115.31 125.33 1qr5 h LEU 53 Ca 0.10 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1qr5 h LEU 53 Cb 0.05 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.14 1qr5 h LEU 53 CO -0.09 0.67 0.00 0.61 -4.11 0.00 0.00 178.44 175.52 1qr5 n GLY 54 N -0.56 3.80 2.69 0.17 0.00 -0.37 -5.08 105.19 105.84 1qr5 n GLY 54 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1qr5 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qr5 s VAL 55 N 0.00 1.62 0.81 1.61 1.01 -1.26 -4.84 120.40 119.36 1qr5 s VAL 55 Ca 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 61.98 58.76 1qr5 s VAL 55 Cb 0.00 -2.10 0.15 0.00 0.00 0.00 0.00 36.38 34.43 1qr5 s VAL 55 CO 0.00 -1.02 1.12 -0.83 0.00 0.00 0.00 175.10 174.37 1qr5 s GLY 56 N -0.32 1.76 0.11 4.51 0.00 -1.26 -3.47 107.32 108.65 1qr5 s GLY 56 Ca 0.24 -1.42 -0.31 0.00 0.00 0.00 0.00 44.72 43.23 1qr5 s GLY 56 CO -0.11 -0.80 1.27 1.25 0.00 0.00 0.00 173.10 174.71 1qr5 s LYS 57 N -5.45 4.40 0.00 2.90 2.20 -1.26 -2.12 119.74 120.42 1qr5 s LYS 57 Ca 0.68 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1qr5 s LYS 57 Cb -0.05 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1qr5 s LYS 57 CO 0.48 -0.29 0.00 -0.25 -0.36 0.00 0.00 175.35 174.93 1qr5 n ASP 58 N 3.63 -2.24 -4.67 1.43 8.00 0.22 -4.94 116.55 117.98 1qr5 n ASP 58 Ca 0.09 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 1qr5 n ASP 58 Cb 0.44 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1qr5 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qr5 n ALA 59 N 0.24 1.80 -2.55 2.24 0.00 -0.90 -4.64 120.51 116.69 1qr5 n ALA 59 Ca 0.00 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1qr5 n ALA 59 Cb 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 19.45 16.73 1qr5 n ALA 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qr5 s GLU 60 N 3.95 3.81 0.26 0.00 2.12 -1.26 -1.63 118.70 125.95 1qr5 s GLU 60 Ca 0.87 0.25 -0.05 0.00 0.36 0.00 0.00 54.97 56.40 1qr5 s GLU 60 Cb -0.44 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1qr5 s GLU 60 CO 0.40 0.60 0.35 0.96 -0.54 0.00 0.00 175.26 177.04 1qr5 s ILE 61 N -1.29 0.00 -0.23 -3.70 -4.36 -1.00 -0.67 121.20 109.95 1qr5 s ILE 61 Ca 0.30 -1.69 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 1qr5 s ILE 61 Cb -0.15 -2.43 0.11 0.00 1.25 0.00 0.00 42.46 41.24 1qr5 s ILE 61 CO 0.16 0.00 0.30 -0.89 0.24 0.00 0.00 174.94 174.75 1qr5 s THR 62 N -3.78 -0.46 -0.01 8.37 2.01 -1.03 -1.98 115.64 118.77 1qr5 s THR 62 Ca 0.31 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 1qr5 s THR 62 Cb 0.02 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1qr5 s THR 62 CO 0.14 -0.18 0.31 -0.63 -0.69 0.00 0.00 174.62 173.57 1qr5 s ILE 63 N 2.43 5.23 -0.14 1.82 1.09 0.78 -0.04 121.20 132.36 1qr5 s ILE 63 Ca 0.10 0.45 -0.01 0.00 -1.10 0.00 0.00 60.65 60.08 1qr5 s ILE 63 Cb -0.15 -3.59 0.04 0.00 -1.06 0.00 0.00 42.46 37.70 1qr5 s ILE 63 CO -0.15 0.49 -0.02 -0.31 -0.10 0.00 0.00 174.94 174.85 1qr5 s TYR 64 N -1.18 1.22 -0.21 3.97 1.51 0.29 -0.65 117.35 122.30 1qr5 s TYR 64 Ca 0.24 -0.71 -0.09 0.00 -1.01 0.00 0.00 57.07 55.50 1qr5 s TYR 64 Cb -0.14 -1.09 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1qr5 s TYR 64 CO 0.13 -0.52 0.11 0.00 -1.11 0.00 0.00 175.55 174.16 1qr5 s ALA 65 N 1.79 3.52 -0.26 3.71 0.00 -0.87 -0.09 121.76 129.57 1qr5 s ALA 65 Ca 0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1qr5 s ALA 65 Cb -0.14 -2.12 0.08 0.00 0.00 0.00 0.00 23.12 20.94 1qr5 s ALA 65 CO -0.07 0.02 0.07 0.34 0.00 0.00 0.00 175.76 176.12 1qr5 s ASP 66 N 0.66 3.60 0.00 0.00 2.15 0.23 -0.34 116.67 122.98 1qr5 s ASP 66 Ca 0.06 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.73 1qr5 s ASP 66 Cb -0.13 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.75 1qr5 s ASP 66 CO 0.01 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1qr5 n GLY 67 N 4.94 -0.56 0.28 2.66 0.00 -1.26 -0.64 105.19 110.61 1qr5 n GLY 67 Ca -0.05 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1qr5 n GLY 67 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qr5 h SER 68 N 0.00 -0.56 -0.61 1.61 4.64 -1.94 -3.28 113.55 113.41 1qr5 h SER 68 Ca 0.00 0.02 -0.39 0.00 -0.47 0.00 0.00 61.79 60.94 1qr5 h SER 68 Cb 0.00 0.14 -0.18 0.00 -0.31 0.00 0.00 62.40 62.06 1qr5 h SER 68 CO 0.00 -0.20 0.51 0.47 -0.87 0.00 0.00 176.83 176.74 1qr5 n ASP 69 N -4.91 6.10 0.29 4.97 9.92 -1.26 -4.52 116.55 127.14 1qr5 n ASP 69 Ca -0.08 -3.20 0.16 0.00 -0.53 0.00 0.00 54.79 51.15 1qr5 n ASP 69 Cb 0.26 -0.97 0.84 0.00 -0.64 0.00 0.00 41.12 40.61 1qr5 n ASP 69 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1qr5 h GLU 70 N 1.40 0.00 0.00 -1.24 4.11 -1.87 0.11 114.58 117.09 1qr5 h GLU 70 Ca 0.38 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.72 1qr5 h GLU 70 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1qr5 h GLU 70 CO 0.91 0.06 -0.65 0.00 0.07 0.00 0.00 179.01 179.40 1qr5 h ALA 71 N 1.94 0.10 -0.66 1.06 0.00 -1.88 -3.35 119.26 116.46 1qr5 h ALA 71 Ca -0.00 -0.70 0.10 0.00 0.00 0.00 0.00 54.91 54.31 1qr5 h ALA 71 Cb 0.30 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1qr5 h ALA 71 CO 0.01 0.45 0.44 0.22 0.00 0.00 0.00 179.25 180.36 1qr5 h ASP 72 N -1.00 0.46 -0.02 0.00 1.82 -1.89 -2.72 116.42 113.07 1qr5 h ASP 72 Ca -0.13 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1qr5 h ASP 72 Cb 0.79 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.66 1qr5 h ASP 72 CO -0.08 0.28 -0.49 0.00 -1.61 0.00 0.00 179.24 177.34 1qr5 h ALA 73 N 1.66 -0.83 -0.81 -0.78 0.00 -0.94 -2.27 119.26 115.31 1qr5 h ALA 73 Ca 0.31 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.31 1qr5 h ALA 73 Cb 0.52 0.88 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 1qr5 h ALA 73 CO -0.10 -1.05 -0.24 0.82 0.00 0.00 0.00 179.25 178.68 1qr5 h ILE 74 N -0.63 0.16 0.06 0.00 5.03 -1.61 0.84 117.51 121.37 1qr5 h ILE 74 Ca 0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.77 1qr5 h ILE 74 Cb 0.70 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1qr5 h ILE 74 CO -0.36 0.00 -0.07 1.56 -0.68 0.00 0.00 178.15 178.61 1qr5 h GLN 75 N -0.02 -0.13 -0.78 2.37 1.08 -1.50 0.20 115.11 116.33 1qr5 h GLN 75 Ca 0.37 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.65 1qr5 h GLN 75 Cb 0.59 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.00 1qr5 h GLN 75 CO -0.84 -0.08 0.51 0.00 -0.95 0.00 0.00 178.83 177.47 1qr5 h ALA 76 N -1.62 1.68 -0.76 3.87 0.00 -1.13 -1.27 119.26 120.03 1qr5 h ALA 76 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1qr5 h ALA 76 Cb 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1qr5 h ALA 76 CO -0.01 0.19 0.37 0.82 0.00 0.00 0.00 179.25 180.62 1qr5 h ILE 77 N 0.80 1.24 0.54 0.00 1.08 0.89 -2.58 117.51 119.49 1qr5 h ILE 77 Ca 0.34 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1qr5 h ILE 77 Cb 0.29 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1qr5 h ILE 77 CO -0.12 0.28 -0.39 0.74 -0.69 0.00 0.00 178.15 177.97 1qr5 h THR 78 N 1.07 0.20 -0.96 -0.27 2.02 0.61 -0.43 112.91 115.16 1qr5 h THR 78 Ca 0.26 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.74 1qr5 h THR 78 Cb 0.10 0.20 -0.15 0.00 -1.74 0.00 0.00 68.15 66.56 1qr5 h THR 78 CO -0.03 0.00 0.42 -0.78 0.37 0.00 0.00 175.52 175.49 1qr5 h ASP 79 N -0.91 0.26 0.57 4.18 3.58 -1.25 2.35 116.42 125.19 1qr5 h ASP 79 Ca -0.06 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1qr5 h ASP 79 Cb 0.76 0.22 0.01 0.00 1.72 0.00 0.00 39.33 42.04 1qr5 h ASP 79 CO 0.02 -0.19 -0.28 0.58 -2.88 0.00 0.00 179.24 176.50 1qr5 h VAL 80 N 0.23 0.00 0.00 2.25 2.07 -0.96 -0.86 116.25 118.98 1qr5 h VAL 80 Ca 0.68 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 68.09 1qr5 h VAL 80 Cb 1.52 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1qr5 h VAL 80 CO -0.66 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 176.78 1qr5 h LEU 81 N -0.87 0.00 -1.20 2.57 3.38 0.31 -0.89 115.31 118.60 1qr5 h LEU 81 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1qr5 h LEU 81 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1qr5 h LEU 81 CO 0.13 0.07 -0.12 -1.28 0.09 0.00 0.00 178.44 177.33 1qr5 h SER 82 N 0.00 0.39 -0.07 -0.43 0.87 0.41 -2.36 113.55 112.36 1qr5 h SER 82 Ca -0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1qr5 h SER 82 Cb 0.17 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1qr5 h SER 82 CO 0.01 0.54 0.05 0.11 -0.53 0.00 0.00 176.83 177.01 1qr5 h LYS 83 N 0.38 0.09 0.00 2.24 6.56 0.33 -1.80 116.57 124.37 1qr5 h LYS 83 Ca 0.07 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.63 1qr5 h LYS 83 Cb 0.44 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1qr5 h LYS 83 CO 0.03 0.07 -0.15 1.05 -2.06 0.00 0.00 179.45 178.38 1qr5 h GLU 84 N 0.09 0.00 0.00 3.15 4.11 -1.55 -1.39 114.58 118.99 1qr5 h GLU 84 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1qr5 h GLU 84 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qr5 h GLU 84 CO -0.01 0.15 0.00 0.78 0.07 0.00 0.00 179.01 180.01 1qr5 h GLY 85 N 0.60 0.00 0.73 1.06 0.00 -0.79 -2.51 103.07 102.16 1qr5 h GLY 85 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1qr5 h GLY 85 CO 0.02 0.00 -0.20 0.17 0.00 0.00 0.00 176.54 176.53 1qr5 h LEU 86 N 0.00 0.40 0.00 3.11 8.10 -1.03 -3.39 115.31 122.50 1qr5 h LEU 86 Ca 0.00 -0.53 0.00 0.00 0.11 0.00 0.00 57.88 57.46 1qr5 h LEU 86 Cb 0.27 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1qr5 h LEU 86 CO 0.00 0.85 0.00 0.41 -4.11 0.00 0.00 178.44 175.59 1qr5 n THR 87 N -4.51 0.00 0.00 0.15 -1.04 -0.95 -5.02 114.28 102.92 1qr5 n THR 87 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1qr5 n THR 87 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1qr5 n THR 87 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59