#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 3.09 -0.02 2.12 0.41 -0.94 -4.95 118.70 118.40 1qr5 s GLU 2 Ca 0.00 -0.64 -0.29 0.00 -0.41 0.00 0.00 54.97 53.63 1qr5 s GLU 2 Cb 0.00 -2.64 0.08 0.00 -1.78 0.00 0.00 34.13 29.79 1qr5 s GLU 2 CO 0.00 -0.16 0.72 1.14 -0.49 0.00 0.00 175.26 176.47 1qr5 s GLN 3 N -4.44 1.02 -0.30 1.61 -2.07 -1.26 -1.74 119.66 112.50 1qr5 s GLN 3 Ca 0.47 0.05 -0.12 0.00 -1.82 0.00 0.00 55.36 53.94 1qr5 s GLN 3 Cb -0.10 0.48 0.12 0.00 -1.09 0.00 0.00 33.01 32.42 1qr5 s GLN 3 CO 0.36 -0.36 0.69 -0.65 -1.32 0.00 0.00 175.29 174.01 1qr5 s GLN 4 N -1.84 0.59 0.33 9.60 -1.52 0.05 -4.95 119.66 121.91 1qr5 s GLN 4 Ca -0.06 1.34 -0.06 0.00 -1.95 0.00 0.00 55.36 54.63 1qr5 s GLN 4 Cb -0.00 0.66 -0.05 0.00 -0.22 0.00 0.00 33.01 33.39 1qr5 s GLN 4 CO 0.03 -0.18 0.61 -1.54 -0.25 0.00 0.00 175.29 173.96 1qr5 s SER 5 N 2.54 6.45 0.35 5.90 1.04 -1.26 -1.11 113.70 127.61 1qr5 s SER 5 Ca -0.07 0.81 0.04 0.00 0.48 0.00 0.00 55.95 57.21 1qr5 s SER 5 Cb -0.10 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 1qr5 s SER 5 CO -0.19 -0.26 0.38 -1.22 0.98 0.00 0.00 173.24 172.92 1qr5 n TYR 6 N -1.10 -1.08 -3.31 5.02 4.02 -0.65 -4.95 117.16 115.11 1qr5 n TYR 6 Ca -0.01 -2.69 -0.10 0.00 -0.01 0.00 0.00 57.90 55.10 1qr5 n TYR 6 Cb 0.54 0.41 -0.06 0.00 -0.02 0.00 0.00 39.34 40.21 1qr5 n TYR 6 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1qr5 s THR 7 N -3.16 -0.60 0.72 -0.72 -1.32 -1.26 -2.43 115.64 106.87 1qr5 s THR 7 Ca 0.36 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 1qr5 s THR 7 Cb 0.01 -0.76 0.13 0.00 -1.51 0.00 0.00 72.50 70.37 1qr5 s THR 7 CO 0.26 -0.33 0.98 -0.63 -2.21 0.00 0.00 174.62 172.69 1qr5 s ILE 8 N 2.12 2.06 0.00 5.08 1.01 -0.74 -4.92 121.20 125.81 1qr5 s ILE 8 Ca 0.13 -0.67 0.12 0.00 0.00 0.00 0.00 60.65 60.23 1qr5 s ILE 8 Cb -0.12 -2.39 0.20 0.00 0.01 0.00 0.00 42.46 40.16 1qr5 s ILE 8 CO -0.19 0.00 1.03 2.30 0.00 0.00 0.00 174.94 178.08 1qr5 n ILE 9 N -2.78 0.00 -2.02 2.92 -6.64 -1.26 0.52 119.36 110.09 1qr5 n ILE 9 Ca 0.16 -0.46 -0.34 0.00 -1.77 0.00 0.00 62.75 60.34 1qr5 n ILE 9 Cb 0.61 0.69 -0.05 0.00 -1.44 0.00 0.00 39.64 39.45 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1qr5 n ASP 10 N 0.23 3.41 0.24 7.28 5.68 -1.26 -4.25 116.55 127.87 1qr5 n ASP 10 Ca -0.07 -2.75 0.18 0.00 -0.50 0.00 0.00 54.79 51.65 1qr5 n ASP 10 Cb 0.89 -1.65 0.82 0.00 -1.14 0.00 0.00 41.12 40.04 1qr5 n ASP 10 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1qr5 h GLU 11 N 8.85 0.00 0.10 0.11 3.07 -1.85 0.11 114.58 124.97 1qr5 h GLU 11 Ca 0.31 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.91 1qr5 h GLU 11 Cb 0.87 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.81 1qr5 h GLU 11 CO 1.41 0.00 -1.09 1.79 -1.40 0.00 0.00 179.01 179.72 1qr5 h THR 12 N 0.00 1.33 -4.35 1.13 1.35 -1.87 -3.44 112.91 107.07 1qr5 h THR 12 Ca 0.08 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1qr5 h THR 12 Cb 0.74 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1qr5 h THR 12 CO -0.00 0.72 -0.49 0.61 -0.25 0.00 0.00 175.52 176.11 1qr5 n GLY 13 N 1.37 -2.68 0.91 5.82 0.00 0.38 -4.93 105.19 106.06 1qr5 n GLY 13 Ca -0.13 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1qr5 n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1qr5 n ILE 14 N 0.11 -2.51 0.07 -0.61 0.13 -1.26 -4.88 119.36 110.40 1qr5 n ILE 14 Ca 0.03 1.09 0.00 0.00 -1.10 0.00 0.00 62.75 62.77 1qr5 n ILE 14 Cb 0.11 -1.64 0.00 0.00 -0.84 0.00 0.00 39.64 37.28 1qr5 n ILE 14 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1qr5 n HIS 15 N -1.58 -2.61 -3.61 9.51 1.44 -1.26 -5.15 115.22 111.95 1qr5 n HIS 15 Ca 0.00 0.46 -0.01 0.00 -2.01 0.00 0.00 57.72 56.16 1qr5 n HIS 15 Cb 0.15 1.40 -0.01 0.00 0.12 0.00 0.00 29.99 31.64 1qr5 n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qr5 s ALA 16 N -1.63 -2.25 0.00 1.59 0.00 -1.26 -5.06 121.76 113.15 1qr5 s ALA 16 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1qr5 s ALA 16 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1qr5 s ALA 16 CO 0.00 -0.74 0.00 -2.13 0.00 0.00 0.00 175.76 172.89 1qr5 n ARG 17 N -0.20 0.00 0.18 0.00 3.00 -1.26 -4.75 116.66 113.64 1qr5 n ARG 17 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.88 1qr5 n ARG 17 Cb 0.59 0.00 0.33 0.00 0.00 0.00 0.00 32.46 33.38 1qr5 n ARG 17 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1qr5 h PRO 18 N 0.00 0.00 0.37 -0.14 0.13 -1.97 -2.51 132.00 127.88 1qr5 h PRO 18 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1qr5 h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1qr5 h PRO 18 CO 0.00 0.41 -0.18 0.00 -0.23 0.00 0.00 178.00 178.01 1qr5 h ALA 19 N 1.59 -0.96 -0.65 -0.56 0.00 -1.89 0.15 119.26 116.93 1qr5 h ALA 19 Ca -0.00 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1qr5 h ALA 19 Cb 0.85 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1qr5 h ALA 19 CO 0.05 -0.92 0.44 1.15 0.00 0.00 0.00 179.25 179.97 1qr5 h THR 20 N -0.57 0.81 0.29 0.00 2.02 -1.97 -0.94 112.91 112.55 1qr5 h THR 20 Ca -0.05 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1qr5 h THR 20 Cb 0.38 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1qr5 h THR 20 CO 0.08 0.06 -0.14 0.24 0.37 0.00 0.00 175.52 176.13 1qr5 h MET 21 N 0.31 -0.38 -0.80 6.66 2.07 -1.34 -2.84 114.93 118.62 1qr5 h MET 21 Ca 0.31 0.03 0.05 0.00 -2.07 0.00 0.00 59.70 58.02 1qr5 h MET 21 Cb 0.80 0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 30.57 1qr5 h MET 21 CO -0.08 -0.10 0.52 -0.07 1.07 0.00 0.00 176.91 178.25 1qr5 h LEU 22 N -0.63 0.79 0.42 1.22 3.38 0.12 0.18 115.31 120.78 1qr5 h LEU 22 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1qr5 h LEU 22 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1qr5 h LEU 22 CO 0.07 0.52 -0.51 0.58 0.09 0.00 0.00 178.44 179.19 1qr5 h VAL 23 N 0.91 0.00 -0.02 1.22 2.07 -1.08 0.42 116.25 119.77 1qr5 h VAL 23 Ca 0.33 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 1qr5 h VAL 23 Cb 0.16 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1qr5 h VAL 23 CO -0.11 0.00 -0.00 -0.61 0.02 0.00 0.00 177.57 176.87 1qr5 h GLN 24 N -0.95 0.04 0.73 1.57 -0.00 -1.25 -0.03 115.11 115.22 1qr5 h GLN 24 Ca -0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.56 1qr5 h GLN 24 Cb 0.85 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.32 1qr5 h GLN 24 CO -0.11 0.37 -0.45 1.79 0.00 0.00 0.00 178.83 180.43 1qr5 h THR 25 N -0.30 0.09 -0.40 2.39 1.35 -0.62 0.32 112.91 115.74 1qr5 h THR 25 Ca 0.01 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 1qr5 h THR 25 Cb 0.36 0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 66.84 1qr5 h THR 25 CO 0.00 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 175.48 1qr5 h ALA 26 N -0.96 0.50 -0.35 6.62 0.00 -0.26 -0.91 119.26 123.91 1qr5 h ALA 26 Ca -0.10 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1qr5 h ALA 26 Cb 0.89 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1qr5 h ALA 26 CO 0.10 -0.14 0.24 1.03 0.00 0.00 0.00 179.25 180.47 1qr5 h SER 27 N 0.43 0.35 0.10 0.00 0.87 -0.87 0.63 113.55 115.05 1qr5 h SER 27 Ca 0.17 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1qr5 h SER 27 Cb 0.06 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1qr5 h SER 27 CO -0.11 0.25 -0.05 0.11 -0.53 0.00 0.00 176.83 176.50 1qr5 h LYS 28 N 0.41 -0.13 -0.56 2.24 1.57 0.80 -3.19 116.57 117.71 1qr5 h LYS 28 Ca 0.14 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1qr5 h LYS 28 Cb 0.06 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1qr5 h LYS 28 CO -0.03 0.20 -0.01 0.74 -0.57 0.00 0.00 179.45 179.77 1qr5 h PHE 29 N -0.45 1.09 0.00 -1.35 0.04 -0.67 -3.47 116.94 112.13 1qr5 h PHE 29 Ca -0.01 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1qr5 h PHE 29 Cb 0.38 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1qr5 h PHE 29 CO 0.03 0.99 0.00 -0.40 -0.60 0.00 0.00 178.31 178.33 1qr5 n ASP 30 N -4.23 0.00 -4.77 2.17 5.75 0.22 -3.69 116.55 112.00 1qr5 n ASP 30 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.39 1qr5 n ASP 30 Cb 0.34 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.96 6.73 -0.40 -1.12 1.04 -1.26 -4.92 113.70 112.81 1qr5 s SER 31 Ca 0.00 2.71 -0.27 0.00 0.48 0.00 0.00 55.95 58.87 1qr5 s SER 31 Cb 0.00 -2.65 0.02 0.00 0.10 0.00 0.00 66.02 63.49 1qr5 s SER 31 CO 0.00 -0.56 1.00 -0.62 0.98 0.00 0.00 173.24 174.04 1qr5 s ASP 32 N -0.48 6.68 -0.26 7.02 -1.08 -0.83 -4.73 116.67 122.99 1qr5 s ASP 32 Ca 0.49 0.55 -0.13 0.00 -0.52 0.00 0.00 52.55 52.94 1qr5 s ASP 32 Cb -0.40 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.52 1qr5 s ASP 32 CO 0.53 -1.00 0.28 -0.63 0.52 0.00 0.00 175.17 174.88 1qr5 s ILE 33 N 3.80 5.25 -0.43 4.11 1.01 -1.25 -0.19 121.20 133.50 1qr5 s ILE 33 Ca 0.42 0.38 -0.14 0.00 0.00 0.00 0.00 60.65 61.31 1qr5 s ILE 33 Cb -0.10 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.80 1qr5 s ILE 33 CO 0.23 0.23 0.32 0.00 0.00 0.00 0.00 174.94 175.72 1qr5 s GLN 34 N 1.72 2.90 -0.33 2.79 -2.07 0.19 -2.62 119.66 122.24 1qr5 s GLN 34 Ca 0.11 -1.22 -0.13 0.00 -1.82 0.00 0.00 55.36 52.30 1qr5 s GLN 34 Cb -0.15 -3.97 -0.02 0.00 -1.09 0.00 0.00 33.01 27.77 1qr5 s GLN 34 CO 0.09 -0.88 0.25 -1.17 -1.32 0.00 0.00 175.29 172.26 1qr5 s LEU 35 N 1.61 4.42 0.58 2.60 0.20 0.34 -0.81 118.68 127.62 1qr5 s LEU 35 Ca 0.04 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.56 1qr5 s LEU 35 Cb -0.22 -2.16 0.06 0.00 -0.43 0.00 0.00 46.19 43.44 1qr5 s LEU 35 CO 0.07 -0.21 0.81 -1.61 -0.29 0.00 0.00 176.35 175.12 1qr5 s GLU 36 N 1.77 2.36 0.31 1.98 8.01 0.52 -2.45 118.70 131.19 1qr5 s GLU 36 Ca 0.07 -0.95 0.06 0.00 0.01 0.00 0.00 54.97 54.16 1qr5 s GLU 36 Cb -0.17 -2.48 -0.06 0.00 -4.31 0.00 0.00 34.13 27.10 1qr5 s GLU 36 CO 0.11 -0.85 -0.02 -0.47 0.01 0.00 0.00 175.26 174.04 1qr5 s TYR 37 N -2.81 2.04 -0.01 1.61 5.04 -0.84 -2.55 117.35 119.84 1qr5 s TYR 37 Ca 0.59 -0.76 0.15 0.00 -2.44 0.00 0.00 57.07 54.62 1qr5 s TYR 37 Cb -0.09 -1.25 0.83 0.00 0.35 0.00 0.00 41.96 41.80 1qr5 s TYR 37 CO 0.39 0.24 1.39 0.27 -1.34 0.00 0.00 175.55 176.50 1qr5 n ASN 38 N -0.67 0.40 -2.70 4.32 6.94 -0.08 -2.48 115.26 120.99 1qr5 n ASN 38 Ca -0.04 0.61 -0.05 0.00 -0.02 0.00 0.00 54.58 55.07 1qr5 n ASN 38 Cb 0.65 -0.58 0.11 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 1.58 2.92 4.83 0.00 -1.26 -5.08 105.19 106.89 1qr5 n GLY 39 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.78 0.29 -3.55 1.61 3.00 -1.03 -5.16 118.16 112.54 1qr5 n LYS 40 Ca -0.05 -0.82 -0.02 0.00 -0.00 0.00 0.00 58.31 57.43 1qr5 n LYS 40 Cb 0.85 1.20 -0.05 0.00 0.00 0.00 0.00 35.03 37.03 1qr5 n LYS 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1qr5 s LYS 41 N -2.02 0.52 0.11 1.64 2.36 -1.26 -1.99 119.74 119.10 1qr5 s LYS 41 Ca 0.20 1.26 -0.02 0.00 -2.55 0.00 0.00 55.97 54.86 1qr5 s LYS 41 Cb -0.01 0.66 0.01 0.00 -1.05 0.00 0.00 37.83 37.43 1qr5 s LYS 41 CO 0.02 -0.30 0.18 1.33 1.55 0.00 0.00 175.35 178.12 1qr5 n VAL 42 N 5.43 0.00 -3.14 4.02 0.24 -1.03 -4.99 118.33 118.87 1qr5 n VAL 42 Ca -0.09 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.37 1qr5 n VAL 42 Cb 0.49 0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.65 7.11 -0.60 -1.34 2.47 -1.26 -0.51 114.94 119.16 1qr5 s ASN 43 Ca 0.08 1.40 -0.04 0.00 0.42 0.00 0.00 52.86 54.71 1qr5 s ASN 43 Cb -0.01 -2.41 -0.05 0.00 -1.45 0.00 0.00 41.25 37.33 1qr5 s ASN 43 CO 0.05 0.13 1.86 -0.11 -3.72 0.00 0.00 177.10 175.31 1qr5 n LEU 44 N 1.12 3.58 -0.08 3.21 0.00 -1.08 -4.47 117.00 119.28 1qr5 n LEU 44 Ca -0.05 -2.34 -0.14 0.00 0.00 0.00 0.00 56.01 53.48 1qr5 n LEU 44 Cb 0.51 -0.91 -0.05 0.00 0.00 0.00 0.00 43.42 42.97 1qr5 n LEU 44 CO 0.43 0.24 0.50 0.50 0.00 0.00 0.00 177.39 179.06 1qr5 h LYS 45 N 6.39 0.74 0.00 1.96 1.63 -1.92 -3.47 116.57 121.91 1qr5 h LYS 45 Ca 0.34 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1qr5 h LYS 45 Cb 0.20 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1qr5 h LYS 45 CO 1.19 1.06 0.00 -1.13 -3.45 0.00 0.00 179.45 177.12 1qr5 n SER 46 N -4.18 0.00 0.03 4.20 3.41 -1.26 -4.49 113.62 111.33 1qr5 n SER 46 Ca -0.04 0.00 0.22 0.00 -0.26 0.00 0.00 58.87 58.78 1qr5 n SER 46 Cb 0.53 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.22 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 0.48 0.00 -1.33 2.04 -1.90 -3.38 117.51 113.41 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 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1qr5 h ILE 47 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 178.15 178.38 1qr5 n MET 48 N -3.93 0.00 -0.03 2.37 2.81 -1.26 -4.94 117.12 112.13 1qr5 n MET 48 Ca 0.09 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.88 1qr5 n MET 48 Cb 0.67 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.13 1qr5 n MET 48 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1qr5 h GLY 49 N 0.00 -0.54 0.60 3.03 0.00 -1.85 0.51 103.07 104.81 1qr5 h GLY 49 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 1qr5 h GLY 49 CO 0.00 -0.22 -0.01 -0.39 0.00 0.00 0.00 176.54 175.93 1qr5 h VAL 50 N -0.41 1.29 -1.00 4.60 -1.51 -1.79 -2.85 116.25 114.58 1qr5 h VAL 50 Ca 0.10 -0.93 0.02 0.00 -1.23 0.00 0.00 66.70 64.66 1qr5 h VAL 50 Cb 0.59 1.91 -0.05 0.00 -2.13 0.00 0.00 31.29 31.61 1qr5 h VAL 50 CO -0.43 0.24 0.66 0.00 -1.23 0.00 0.00 177.57 176.81 1qr5 h MET 51 N -0.42 1.28 -0.00 5.19 -0.00 -1.72 0.48 114.93 119.74 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 0.41 -0.29 -0.02 0.00 -0.00 0.00 0.00 31.60 31.70 1qr5 h MET 51 CO 0.00 0.85 -0.11 1.03 -0.00 0.00 0.00 176.91 178.68 1qr5 h SER 52 N 1.32 -0.31 -0.12 -0.10 0.87 0.02 -2.44 113.55 112.78 1qr5 h SER 52 Ca 0.38 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.89 1qr5 h SER 52 Cb -0.10 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1qr5 h SER 52 CO -0.10 -0.15 -0.21 0.17 -0.53 0.00 0.00 176.83 176.01 1qr5 h LEU 53 N -0.18 0.54 0.00 2.23 8.10 -1.24 -3.48 115.31 121.27 1qr5 h LEU 53 Ca 0.04 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.86 1qr5 h LEU 53 Cb 0.23 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.31 1qr5 h LEU 53 CO -0.11 0.76 0.00 0.61 -4.11 0.00 0.00 178.44 175.58 1qr5 n GLY 54 N -0.41 3.87 2.89 0.17 0.00 0.13 -5.11 105.19 106.73 1qr5 n GLY 54 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 1.39 0.39 1.61 1.01 -1.26 -4.78 120.40 118.76 1qr5 s VAL 55 Ca 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1qr5 s VAL 55 Cb 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1qr5 s VAL 55 CO 0.00 -0.25 0.07 -0.83 0.00 0.00 0.00 175.10 174.10 1qr5 s GLY 56 N 1.43 2.44 0.24 4.51 0.00 -1.26 -3.95 107.32 110.72 1qr5 s GLY 56 Ca -0.01 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.87 1qr5 s GLY 56 CO -0.09 -1.90 1.27 1.25 0.00 0.00 0.00 173.10 173.63 1qr5 s LYS 57 N -3.81 4.43 0.00 2.90 2.20 -1.26 -2.27 119.74 121.93 1qr5 s LYS 57 Ca 0.27 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1qr5 s LYS 57 Cb 0.06 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1qr5 s LYS 57 CO 0.14 -0.16 0.00 -3.47 -0.36 0.00 0.00 175.35 171.50 1qr5 n ASP 58 N 2.04 -1.08 -4.66 1.43 -0.08 0.18 -4.91 116.55 109.48 1qr5 n ASP 58 Ca 0.04 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.89 1qr5 n ASP 58 Cb 0.43 -0.18 -0.03 0.00 2.34 0.00 0.00 41.12 43.68 1qr5 n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qr5 n ALA 59 N 0.07 1.60 -2.61 -1.67 0.00 -0.96 -4.65 120.51 112.28 1qr5 n ALA 59 Ca 0.00 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 1qr5 n ALA 59 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 19.45 16.69 1qr5 n ALA 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qr5 s GLU 60 N 4.64 3.71 0.30 0.00 4.04 -1.26 -1.79 118.70 128.34 1qr5 s GLU 60 Ca 0.90 0.10 -0.04 0.00 0.04 0.00 0.00 54.97 55.97 1qr5 s GLU 60 Cb -0.43 -2.99 -0.01 0.00 0.02 0.00 0.00 34.13 30.73 1qr5 s GLU 60 CO 0.42 0.56 0.42 0.96 -1.84 0.00 0.00 175.26 175.78 1qr5 s ILE 61 N -1.42 0.00 -0.26 1.83 -4.36 -1.02 -0.90 121.20 115.06 1qr5 s ILE 61 Ca 0.33 -1.63 -0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1qr5 s ILE 61 Cb -0.14 -2.52 0.14 0.00 1.25 0.00 0.00 42.46 41.19 1qr5 s ILE 61 CO 0.19 0.00 0.40 -0.89 0.24 0.00 0.00 174.94 174.87 1qr5 s THR 62 N -3.41 -0.63 0.18 8.37 2.01 -1.06 -1.64 115.64 119.46 1qr5 s THR 62 Ca 0.30 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1qr5 s THR 62 Cb 0.01 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1qr5 s THR 62 CO 0.17 -0.17 0.39 -0.63 -0.69 0.00 0.00 174.62 173.69 1qr5 s ILE 63 N 2.56 5.18 -0.21 1.82 -1.09 -0.26 -0.36 121.20 128.84 1qr5 s ILE 63 Ca 0.12 -0.16 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1qr5 s ILE 63 Cb -0.15 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.16 1qr5 s ILE 63 CO -0.20 -0.08 0.25 -0.31 -1.23 0.00 0.00 174.94 173.37 1qr5 s TYR 64 N -1.77 -0.37 -0.18 3.97 1.51 0.01 -0.77 117.35 119.74 1qr5 s TYR 64 Ca 0.40 0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 56.63 1qr5 s TYR 64 Cb -0.12 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 1qr5 s TYR 64 CO 0.27 -0.62 0.43 0.00 -1.11 0.00 0.00 175.55 174.52 1qr5 s ALA 65 N 2.37 3.54 -0.40 3.71 0.00 -0.71 0.57 121.76 130.84 1qr5 s ALA 65 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1qr5 s ALA 65 Cb -0.16 -2.65 0.12 0.00 0.00 0.00 0.00 23.12 20.43 1qr5 s ALA 65 CO -0.13 -0.23 0.16 -0.51 0.00 0.00 0.00 175.76 175.06 1qr5 s ASP 66 N 0.92 4.15 0.00 0.00 1.11 0.73 -2.22 116.67 121.36 1qr5 s ASP 66 Ca 0.21 -2.37 0.00 0.00 0.18 0.00 0.00 52.55 50.57 1qr5 s ASP 66 Cb -0.15 -1.27 0.00 0.00 1.07 0.00 0.00 42.92 42.57 1qr5 s ASP 66 CO 0.08 -0.32 0.00 0.61 1.18 0.00 0.00 175.17 176.72 1qr5 n GLY 67 N 3.92 -0.58 0.27 0.21 0.00 -1.26 -1.97 105.19 105.77 1qr5 n GLY 67 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.53 -0.90 1.61 4.64 -1.92 -3.30 113.55 113.16 1qr5 h SER 68 Ca 0.00 0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.87 1qr5 h SER 68 Cb 0.00 0.14 -0.18 0.00 -0.31 0.00 0.00 62.40 62.05 1qr5 h SER 68 CO 0.00 -0.15 0.49 0.47 -0.87 0.00 0.00 176.83 176.77 1qr5 n ASP 69 N -4.92 6.67 0.27 4.97 8.00 -1.24 -4.57 116.55 125.72 1qr5 n ASP 69 Ca -0.08 -3.25 0.15 0.00 0.71 0.00 0.00 54.79 52.32 1qr5 n ASP 69 Cb 0.25 -1.13 0.73 0.00 -0.02 0.00 0.00 41.12 40.94 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 2.33 0.00 0.07 -1.24 4.11 -1.86 -1.60 114.58 116.39 1qr5 h GLU 70 Ca 0.39 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.55 1qr5 h GLU 70 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1qr5 h GLU 70 CO 0.94 0.09 -1.46 0.00 0.07 0.00 0.00 179.01 178.65 1qr5 h ALA 71 N 1.91 0.28 -0.94 1.06 0.00 -1.89 -3.32 119.26 116.36 1qr5 h ALA 71 Ca -0.00 -1.21 0.12 0.00 0.00 0.00 0.00 54.91 53.83 1qr5 h ALA 71 Cb 0.42 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 1qr5 h ALA 71 CO 0.01 0.88 0.60 0.22 0.00 0.00 0.00 179.25 180.97 1qr5 h ASP 72 N -0.52 0.81 0.05 0.00 1.82 -1.89 -2.05 116.42 114.64 1qr5 h ASP 72 Ca -0.35 0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.36 1qr5 h ASP 72 Cb 1.62 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 41.46 1qr5 h ASP 72 CO -0.05 0.43 -0.39 0.00 -1.61 0.00 0.00 179.24 177.62 1qr5 h ALA 73 N 1.56 -0.65 -0.87 -0.78 0.00 -1.42 -1.89 119.26 115.21 1qr5 h ALA 73 Ca 0.46 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.55 1qr5 h ALA 73 Cb 0.55 0.68 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 1qr5 h ALA 73 CO -0.23 -0.94 0.14 0.82 0.00 0.00 0.00 179.25 179.05 1qr5 h ILE 74 N -0.58 0.27 0.00 0.00 1.08 -1.47 0.78 117.51 117.58 1qr5 h ILE 74 Ca 0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1qr5 h ILE 74 Cb 0.64 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1qr5 h ILE 74 CO -0.27 0.03 0.00 1.67 -0.69 0.00 0.00 178.15 178.88 1qr5 n GLN 75 N -5.30 0.00 -0.01 2.37 0.00 -0.75 -1.20 117.38 112.49 1qr5 n GLN 75 Ca 0.20 0.47 0.12 0.00 -0.00 0.00 0.00 57.00 57.79 1qr5 n GLN 75 Cb 0.65 -1.46 0.55 0.00 0.00 0.00 0.00 30.24 29.97 1qr5 n GLN 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qr5 h ALA 76 N -1.99 2.08 -0.56 1.69 0.00 -1.20 0.44 119.26 119.72 1qr5 h ALA 76 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1qr5 h ALA 76 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1qr5 h ALA 76 CO 0.00 -0.19 0.22 0.82 0.00 0.00 0.00 179.25 180.11 1qr5 h ILE 77 N 0.29 1.20 0.09 0.00 1.08 0.62 -2.11 117.51 118.68 1qr5 h ILE 77 Ca 0.22 -0.63 0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1qr5 h ILE 77 Cb 0.50 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1qr5 h ILE 77 CO -0.05 0.25 -0.11 0.74 -0.69 0.00 0.00 178.15 178.30 1qr5 h THR 78 N 0.80 0.76 -0.92 -0.27 2.02 0.58 -1.05 112.91 114.83 1qr5 h THR 78 Ca 0.19 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.62 1qr5 h THR 78 Cb 0.16 0.76 -0.14 0.00 -1.74 0.00 0.00 68.15 67.18 1qr5 h THR 78 CO -0.02 0.00 0.36 -0.78 0.37 0.00 0.00 175.52 175.46 1qr5 h ASP 79 N -0.22 0.23 0.75 4.18 3.58 -1.17 2.32 116.42 126.09 1qr5 h ASP 79 Ca 0.01 0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1qr5 h ASP 79 Cb 0.23 0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.48 1qr5 h ASP 79 CO -0.04 -0.10 -0.36 0.58 -2.88 0.00 0.00 179.24 176.44 1qr5 h VAL 80 N 0.30 0.23 -0.04 2.25 2.07 -0.89 -1.29 116.25 118.88 1qr5 h VAL 80 Ca 0.60 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 68.02 1qr5 h VAL 80 Cb 1.23 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1qr5 h VAL 80 CO -0.60 0.01 -0.09 -0.07 0.02 0.00 0.00 177.57 176.84 1qr5 h LEU 81 N -1.06 0.05 -1.74 2.57 3.38 0.27 -0.80 115.31 117.97 1qr5 h LEU 81 Ca -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1qr5 h LEU 81 Cb 0.78 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1qr5 h LEU 81 CO 0.17 0.14 -0.03 -1.28 0.09 0.00 0.00 178.44 177.53 1qr5 h SER 82 N 0.05 0.10 0.27 -0.43 0.87 0.42 -1.19 113.55 113.64 1qr5 h SER 82 Ca 0.01 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1qr5 h SER 82 Cb 0.19 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1qr5 h SER 82 CO 0.01 0.16 -0.06 0.50 -0.53 0.00 0.00 176.83 176.92 1qr5 h LYS 83 N 0.12 0.00 -0.16 2.24 1.63 0.04 -2.13 116.57 118.31 1qr5 h LYS 83 Ca 0.03 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1qr5 h LYS 83 Cb 0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1qr5 h LYS 83 CO 0.01 0.06 0.11 1.05 -3.45 0.00 0.00 179.45 177.22 1qr5 h GLU 84 N 0.00 0.18 0.00 1.90 -0.00 -1.31 -1.09 114.58 114.26 1qr5 h GLU 84 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1qr5 h GLU 84 Cb 0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 1qr5 h GLU 84 CO 0.01 0.12 0.21 0.78 -0.00 0.00 0.00 179.01 180.12 1qr5 h GLY 85 N 0.19 0.00 1.78 1.06 0.00 -1.53 -0.85 103.07 103.72 1qr5 h GLY 85 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1qr5 h GLY 85 CO -0.01 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.00 1qr5 n LEU 86 N -2.31 0.00 0.00 3.11 -0.00 -0.41 -4.33 117.00 113.06 1qr5 n LEU 86 Ca -0.01 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 1qr5 n LEU 86 Cb 0.24 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1qr5 n LEU 86 CO 0.09 -0.32 0.00 0.35 -0.00 0.00 0.00 177.39 177.51 1qr5 n THR 87 N -1.39 0.00 -1.27 1.47 -2.24 -0.32 -5.19 114.28 105.33 1qr5 n THR 87 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1qr5 n THR 87 Cb 0.05 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1qr5 n THR 87 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71