#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 3.31 -0.02 2.12 2.56 -0.54 -4.97 118.70 121.16 1qr5 s GLU 2 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 54.97 53.97 1qr5 s GLU 2 Cb 0.00 -2.81 0.03 0.00 2.00 0.00 0.00 34.13 33.35 1qr5 s GLU 2 CO 0.00 0.42 0.34 1.14 -0.56 0.00 0.00 175.26 176.60 1qr5 s GLN 3 N -3.95 0.69 0.17 4.30 -2.07 -1.26 -1.89 119.66 115.66 1qr5 s GLN 3 Ca 0.34 -0.15 -0.23 0.00 -1.82 0.00 0.00 55.36 53.49 1qr5 s GLN 3 Cb -0.09 0.31 0.06 0.00 -1.09 0.00 0.00 33.01 32.20 1qr5 s GLN 3 CO 0.28 -0.19 0.66 -1.14 -1.32 0.00 0.00 175.29 173.58 1qr5 s GLN 4 N -1.30 1.35 -0.06 9.60 0.74 -0.31 -5.00 119.66 124.67 1qr5 s GLN 4 Ca -0.13 -0.57 -0.21 0.00 0.05 0.00 0.00 55.36 54.49 1qr5 s GLN 4 Cb -0.05 0.57 0.04 0.00 1.10 0.00 0.00 33.01 34.68 1qr5 s GLN 4 CO 0.05 -0.60 0.48 -1.54 -0.55 0.00 0.00 175.29 173.13 1qr5 s SER 5 N -2.77 -0.42 0.24 6.67 1.04 -1.26 -0.14 113.70 117.06 1qr5 s SER 5 Ca 0.04 0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.98 1qr5 s SER 5 Cb -0.02 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1qr5 s SER 5 CO -0.08 -0.46 0.27 -1.22 0.98 0.00 0.00 173.24 172.73 1qr5 n TYR 6 N 1.42 -0.85 -3.42 5.02 4.02 -0.87 -4.99 117.16 117.50 1qr5 n TYR 6 Ca -0.19 -1.85 -0.06 0.00 -0.01 0.00 0.00 57.90 55.79 1qr5 n TYR 6 Cb 0.56 0.30 -0.07 0.00 -0.02 0.00 0.00 39.34 40.11 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 -2.84 -0.71 0.09 -0.72 -1.32 -1.26 -1.86 115.64 107.02 1qr5 s THR 7 Ca 0.25 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.76 1qr5 s THR 7 Cb 0.00 -0.82 -0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1qr5 s THR 7 CO 0.18 -0.04 0.06 -0.38 -2.21 0.00 0.00 174.62 172.22 1qr5 n ILE 8 N 5.39 0.00 0.00 5.08 5.41 -1.03 -4.92 119.36 129.28 1qr5 n ILE 8 Ca -0.05 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.13 1qr5 n ILE 8 Cb 0.50 0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.69 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 -0.18 0.00 -1.50 1.39 -5.35 -1.26 -1.01 119.36 111.45 1qr5 n ILE 9 Ca 0.01 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.42 1qr5 n ILE 9 Cb 0.14 -0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 37.91 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1qr5 n ASP 10 N -1.70 -1.93 -2.42 7.28 2.03 -1.26 -2.65 116.55 115.89 1qr5 n ASP 10 Ca 0.00 0.21 -0.11 0.00 0.52 0.00 0.00 54.79 55.41 1qr5 n ASP 10 Cb 0.07 -1.96 -0.02 0.00 -0.72 0.00 0.00 41.12 38.48 1qr5 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qr5 n GLU 11 N -1.73 -0.93 0.00 -0.67 -0.58 -1.26 -3.34 120.64 112.12 1qr5 n GLU 11 Ca -0.07 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1qr5 n GLU 11 Cb 0.30 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1qr5 n GLU 11 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1qr5 n THR 12 N -1.53 0.00 0.00 2.62 -1.04 -1.14 -4.96 114.28 108.23 1qr5 n THR 12 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1qr5 n THR 12 Cb 0.13 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1qr5 n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qr5 n GLY 13 N -0.51 2.08 2.42 3.41 0.00 -1.09 -4.59 105.19 106.91 1qr5 n GLY 13 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 0.35 0.02 -0.61 -1.09 -1.26 -4.89 121.20 113.71 1qr5 s ILE 14 Ca 0.00 -2.50 -0.25 0.00 -2.23 0.00 0.00 60.65 55.66 1qr5 s ILE 14 Cb 0.00 -1.26 -0.17 0.00 -1.58 0.00 0.00 42.46 39.44 1qr5 s ILE 14 CO 0.00 -1.19 1.34 1.12 -1.23 0.00 0.00 174.94 174.99 1qr5 h HIS 15 N 5.89 -0.22 0.00 3.97 2.07 -1.93 -3.47 115.15 121.46 1qr5 h HIS 15 Ca 0.23 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1qr5 h HIS 15 Cb 0.92 0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.97 1qr5 h HIS 15 CO 0.30 0.09 0.00 0.00 -3.07 0.00 0.00 177.93 175.26 1qr5 n ALA 16 N -2.37 0.00 0.06 6.11 0.00 -1.26 -5.02 120.51 118.03 1qr5 n ALA 16 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1qr5 n ALA 16 Cb 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.59 1qr5 n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1qr5 h ARG 17 N 0.00 -0.20 -0.68 0.00 1.12 -1.99 -2.79 114.38 109.84 1qr5 h ARG 17 Ca 0.00 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 59.00 1qr5 h ARG 17 Cb 0.00 0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 29.92 1qr5 h ARG 17 CO 0.00 0.24 0.25 -1.00 -3.11 0.00 0.00 179.97 176.35 1qr5 h PRO 18 N -0.78 0.40 0.42 0.20 0.13 -1.92 0.88 132.00 131.33 1qr5 h PRO 18 Ca -0.02 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1qr5 h PRO 18 Cb 0.53 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1qr5 h PRO 18 CO 0.03 0.27 -0.20 0.00 -0.23 0.00 0.00 178.00 177.87 1qr5 h ALA 19 N 1.49 -0.94 -0.77 -0.56 0.00 -1.91 -2.12 119.26 114.45 1qr5 h ALA 19 Ca 0.36 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.34 1qr5 h ALA 19 Cb 0.50 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1qr5 h ALA 19 CO -0.36 -0.89 0.54 1.15 0.00 0.00 0.00 179.25 179.68 1qr5 h THR 20 N -0.68 0.68 -0.05 0.00 2.02 -1.44 -1.39 112.91 112.05 1qr5 h THR 20 Ca -0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1qr5 h THR 20 Cb 0.44 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1qr5 h THR 20 CO 0.10 0.03 0.00 0.24 0.37 0.00 0.00 175.52 176.26 1qr5 h MET 21 N 0.19 0.08 -0.94 6.66 2.86 -0.78 -2.82 114.93 120.18 1qr5 h MET 21 Ca 0.38 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.10 1qr5 h MET 21 Cb 1.22 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.80 1qr5 h MET 21 CO -0.07 0.36 0.61 -0.07 1.06 0.00 0.00 176.91 178.79 1qr5 h LEU 22 N -0.21 0.87 0.38 1.22 3.38 -0.55 0.87 115.31 121.27 1qr5 h LEU 22 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1qr5 h LEU 22 Cb 0.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1qr5 h LEU 22 CO 0.00 0.51 -0.25 0.58 0.09 0.00 0.00 178.44 179.37 1qr5 h VAL 23 N 0.96 0.00 -0.30 1.22 2.07 -1.33 0.49 116.25 119.36 1qr5 h VAL 23 Ca 0.44 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.93 1qr5 h VAL 23 Cb 0.40 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1qr5 h VAL 23 CO -0.20 0.00 0.05 -0.61 0.02 0.00 0.00 177.57 176.83 1qr5 h GLN 24 N -0.60 0.49 0.56 1.57 -0.00 -1.26 0.87 115.11 116.74 1qr5 h GLN 24 Ca -0.05 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 58.45 1qr5 h GLN 24 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.90 1qr5 h GLN 24 CO 0.04 0.59 -0.39 1.15 0.00 0.00 0.00 178.83 180.22 1qr5 h THR 25 N 0.31 0.00 -0.37 2.39 2.02 0.73 0.43 112.91 118.41 1qr5 h THR 25 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1qr5 h THR 25 Cb 0.34 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1qr5 h THR 25 CO 0.01 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.12 1qr5 h ALA 26 N -1.28 0.47 -0.10 6.16 0.00 -0.97 -1.74 119.26 121.81 1qr5 h ALA 26 Ca -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1qr5 h ALA 26 Cb 0.73 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1qr5 h ALA 26 CO 0.05 -0.10 0.07 1.03 0.00 0.00 0.00 179.25 180.29 1qr5 h SER 27 N 0.47 0.00 0.22 0.00 0.87 -0.72 -0.00 113.55 114.39 1qr5 h SER 27 Ca 0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1qr5 h SER 27 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1qr5 h SER 27 CO -0.06 0.00 -0.11 0.11 -0.53 0.00 0.00 176.83 176.25 1qr5 h LYS 28 N 0.00 -0.29 -0.47 2.24 1.57 0.79 -3.00 116.57 117.40 1qr5 h LYS 28 Ca 0.05 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1qr5 h LYS 28 Cb 0.19 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1qr5 h LYS 28 CO -0.00 -0.04 0.04 0.74 -0.57 0.00 0.00 179.45 179.62 1qr5 h PHE 29 N -0.51 0.79 0.00 -1.35 0.04 -1.19 -3.46 116.94 111.25 1qr5 h PHE 29 Ca -0.03 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1qr5 h PHE 29 Cb 0.38 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1qr5 h PHE 29 CO -0.00 0.71 0.00 -0.40 -0.60 0.00 0.00 178.31 178.02 1qr5 n ASP 30 N -4.25 0.00 -4.74 2.17 5.75 -0.06 -4.18 116.55 111.24 1qr5 n ASP 30 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.39 1qr5 n ASP 30 Cb 0.27 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 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 -2.05 6.75 -0.41 -1.12 1.04 -1.25 -4.87 113.70 111.78 1qr5 s SER 31 Ca 0.00 2.57 -0.29 0.00 0.48 0.00 0.00 55.95 58.72 1qr5 s SER 31 Cb 0.00 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.51 1qr5 s SER 31 CO 0.00 -0.63 1.41 -0.62 0.98 0.00 0.00 173.24 174.38 1qr5 s ASP 32 N 0.30 6.35 -0.22 7.02 -1.08 -1.25 -4.69 116.67 123.09 1qr5 s ASP 32 Ca 0.58 0.85 -0.12 0.00 -0.52 0.00 0.00 52.55 53.34 1qr5 s ASP 32 Cb -0.40 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.47 1qr5 s ASP 32 CO 0.42 -1.42 0.21 -0.63 0.52 0.00 0.00 175.17 174.27 1qr5 s ILE 33 N 5.40 5.34 -0.48 4.11 1.01 -1.25 -2.14 121.20 133.18 1qr5 s ILE 33 Ca 0.61 0.31 -0.17 0.00 0.00 0.00 0.00 60.65 61.41 1qr5 s ILE 33 Cb -0.14 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 38.85 1qr5 s ILE 33 CO 0.32 0.35 0.47 0.00 0.00 0.00 0.00 174.94 176.08 1qr5 s GLN 34 N 0.90 3.02 -0.38 2.79 -2.07 0.26 -2.84 119.66 121.34 1qr5 s GLN 34 Ca 0.10 -1.20 -0.17 0.00 -1.82 0.00 0.00 55.36 52.28 1qr5 s GLN 34 Cb -0.13 -4.12 0.01 0.00 -1.09 0.00 0.00 33.01 27.68 1qr5 s GLN 34 CO 0.04 -1.08 0.41 -1.17 -1.32 0.00 0.00 175.29 172.17 1qr5 s LEU 35 N 1.95 4.66 0.62 2.60 0.20 0.92 -1.75 118.68 127.88 1qr5 s LEU 35 Ca 0.08 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.48 1qr5 s LEU 35 Cb -0.23 -2.39 0.09 0.00 -0.43 0.00 0.00 46.19 43.24 1qr5 s LEU 35 CO 0.08 -0.48 0.86 -1.61 -0.29 0.00 0.00 176.35 174.91 1qr5 s GLU 36 N 2.11 2.12 0.22 1.98 8.01 0.75 -2.60 118.70 131.29 1qr5 s GLU 36 Ca 0.12 -1.21 0.05 0.00 0.01 0.00 0.00 54.97 53.94 1qr5 s GLU 36 Cb -0.17 -2.49 -0.05 0.00 -4.31 0.00 0.00 34.13 27.11 1qr5 s GLU 36 CO 0.13 -1.04 -0.06 -0.47 0.01 0.00 0.00 175.26 173.82 1qr5 s TYR 37 N -2.87 1.61 -0.56 1.61 5.04 -0.93 -2.37 117.35 118.89 1qr5 s TYR 37 Ca 0.62 -0.77 0.05 0.00 -2.44 0.00 0.00 57.07 54.53 1qr5 s TYR 37 Cb -0.07 -0.87 0.25 0.00 0.35 0.00 0.00 41.96 41.62 1qr5 s TYR 37 CO 0.41 0.14 1.03 0.27 -1.34 0.00 0.00 175.55 176.06 1qr5 n ASN 38 N -0.40 0.12 -2.69 4.32 6.94 -0.64 -2.37 115.26 120.54 1qr5 n ASN 38 Ca -0.07 0.45 -0.06 0.00 -0.02 0.00 0.00 54.58 54.88 1qr5 n ASN 38 Cb 0.62 -0.45 0.10 0.00 -2.36 0.00 0.00 39.78 37.69 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 -1.35 1.49 3.71 4.83 0.00 -1.26 -5.10 105.19 107.51 1qr5 n GLY 39 Ca -0.00 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1qr5 n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qr5 n LYS 40 N -0.61 0.07 -3.65 1.61 4.76 -1.00 -5.14 118.16 114.20 1qr5 n LYS 40 Ca -0.02 -0.56 -0.02 0.00 -2.87 0.00 0.00 58.31 54.84 1qr5 n LYS 40 Cb 0.85 1.03 -0.05 0.00 -1.84 0.00 0.00 35.03 35.02 1qr5 n LYS 40 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1qr5 s LYS 41 N -2.01 0.55 0.10 1.97 2.36 -1.26 -2.18 119.74 119.27 1qr5 s LYS 41 Ca 0.29 1.41 -0.02 0.00 -2.55 0.00 0.00 55.97 55.11 1qr5 s LYS 41 Cb -0.00 0.82 0.01 0.00 -1.05 0.00 0.00 37.83 37.61 1qr5 s LYS 41 CO -0.02 -0.21 0.16 1.33 1.55 0.00 0.00 175.35 178.17 1qr5 n VAL 42 N 5.44 0.00 -3.32 4.02 0.24 -1.07 -4.98 118.33 118.66 1qr5 n VAL 42 Ca -0.12 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.34 61.46 1qr5 n VAL 42 Cb 0.49 0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.09 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 -1.57 6.72 -0.02 -1.34 2.47 -1.26 -0.05 114.94 119.89 1qr5 s ASN 43 Ca 0.06 1.06 -0.01 0.00 0.42 0.00 0.00 52.86 54.40 1qr5 s ASN 43 Cb -0.01 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.47 1qr5 s ASN 43 CO 0.05 -0.06 0.99 0.00 -3.72 0.00 0.00 177.10 174.35 1qr5 n LEU 44 N 0.04 0.82 -0.33 3.21 -0.00 -1.13 -4.52 117.00 115.09 1qr5 n LEU 44 Ca -0.00 -0.95 -0.02 0.00 -0.00 0.00 0.00 56.01 55.04 1qr5 n LEU 44 Cb 0.52 -0.25 0.10 0.00 -0.00 0.00 0.00 43.42 43.80 1qr5 n LEU 44 CO 0.44 -0.24 1.24 0.11 -0.00 0.00 0.00 177.39 178.94 1qr5 h LYS 45 N 5.76 1.13 0.00 1.47 6.56 -1.91 -3.45 116.57 126.12 1qr5 h LYS 45 Ca 0.04 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1qr5 h LYS 45 Cb 0.20 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 1qr5 h LYS 45 CO 0.52 0.75 0.00 -1.13 -2.06 0.00 0.00 179.45 177.53 1qr5 n SER 46 N -4.49 0.00 0.20 0.86 3.41 -1.26 -4.46 113.62 107.87 1qr5 n SER 46 Ca 0.11 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.90 1qr5 n SER 46 Cb 0.05 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 64.83 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 0.31 0.00 -1.33 2.04 -1.88 -3.38 117.51 113.28 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 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 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 -3.54 0.00 -0.17 2.37 2.81 -1.26 -4.89 117.12 112.44 1qr5 n MET 48 Ca 0.02 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.89 1qr5 n MET 48 Cb 0.41 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.98 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 0.46 1.47 3.03 0.00 -1.83 0.54 103.07 106.73 1qr5 h GLY 49 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 1qr5 h GLY 49 CO 0.00 -0.18 -0.57 -0.39 0.00 0.00 0.00 176.54 175.39 1qr5 h VAL 50 N 0.05 1.32 -0.34 4.60 -1.51 -1.81 -2.84 116.25 115.73 1qr5 h VAL 50 Ca 0.26 -1.83 0.01 0.00 -1.23 0.00 0.00 66.70 63.91 1qr5 h VAL 50 Cb 0.41 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 1qr5 h VAL 50 CO -0.50 0.57 0.21 0.24 -1.23 0.00 0.00 177.57 176.86 1qr5 h MET 51 N 0.42 0.42 -0.08 5.19 2.86 -1.31 -1.19 114.93 121.24 1qr5 h MET 51 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1qr5 h MET 51 Cb 1.12 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1qr5 h MET 51 CO 0.11 0.28 -0.00 0.66 1.06 0.00 0.00 176.91 179.02 1qr5 h SER 52 N 0.44 -0.04 0.44 1.22 4.64 0.04 -1.33 113.55 118.97 1qr5 h SER 52 Ca 0.13 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1qr5 h SER 52 Cb -0.03 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qr5 h SER 52 CO -0.04 -0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1qr5 n LEU 53 N -5.11 0.37 -1.53 5.97 -0.00 -1.08 -4.96 117.00 110.66 1qr5 n LEU 53 Ca -0.05 0.61 -0.00 0.00 -0.00 0.00 0.00 56.01 56.57 1qr5 n LEU 53 Cb 0.06 -0.59 -0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1qr5 n LEU 53 CO 0.30 -0.53 -0.19 0.61 -0.00 0.00 0.00 177.39 177.58 1qr5 n GLY 54 N -0.42 -4.00 2.75 1.47 0.00 -0.47 -4.93 105.19 99.59 1qr5 n GLY 54 Ca 0.02 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 0.71 5.01 -0.33 1.61 0.31 -1.25 -4.89 118.33 119.51 1qr5 n VAL 55 Ca -0.00 -5.82 0.00 0.00 -0.01 0.00 0.00 64.34 58.50 1qr5 n VAL 55 Cb 0.01 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 -0.13 0.17 3.69 2.92 0.00 -1.26 -3.84 105.19 106.74 1qr5 n GLY 56 Ca 0.41 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 0.64 4.35 0.00 1.61 2.20 -1.26 -2.28 119.74 125.00 1qr5 s LYS 57 Ca 0.00 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 1qr5 s LYS 57 Cb 0.00 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1qr5 s LYS 57 CO 0.00 -0.44 0.00 -0.25 -0.36 0.00 0.00 175.35 174.30 1qr5 n ASP 58 N 4.99 -2.21 -4.64 1.43 8.00 -0.18 -4.98 116.55 118.96 1qr5 n ASP 58 Ca 0.11 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 1qr5 n ASP 58 Cb 0.46 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.21 1.61 -2.87 2.24 0.00 -0.75 -4.69 120.51 116.25 1qr5 n ALA 59 Ca 0.00 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1qr5 n ALA 59 Cb 0.00 -2.74 -0.06 0.00 0.00 0.00 0.00 19.45 16.65 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 4.96 3.47 0.18 0.00 2.12 -1.26 -2.46 118.70 125.71 1qr5 s GLU 60 Ca 0.92 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 56.08 1qr5 s GLU 60 Cb -0.42 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 1qr5 s GLU 60 CO 0.41 0.76 0.22 0.96 -0.54 0.00 0.00 175.26 177.08 1qr5 s ILE 61 N -0.99 0.04 -0.22 -3.70 -4.36 -0.78 -1.62 121.20 109.58 1qr5 s ILE 61 Ca 0.15 -1.70 -0.05 0.00 -0.26 0.00 0.00 60.65 58.80 1qr5 s ILE 61 Cb -0.12 -2.17 0.11 0.00 1.25 0.00 0.00 42.46 41.53 1qr5 s ILE 61 CO 0.04 -0.18 0.38 -0.89 0.24 0.00 0.00 174.94 174.53 1qr5 s THR 62 N -4.06 -0.60 -0.17 8.37 2.01 -1.00 -2.05 115.64 118.15 1qr5 s THR 62 Ca 0.27 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.23 1qr5 s THR 62 Cb 0.05 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 1qr5 s THR 62 CO 0.06 -0.03 0.15 -0.63 -0.69 0.00 0.00 174.62 173.48 1qr5 s ILE 63 N 2.56 5.43 -0.27 1.82 1.09 0.80 -0.18 121.20 132.45 1qr5 s ILE 63 Ca 0.06 0.24 -0.00 0.00 -1.10 0.00 0.00 60.65 59.84 1qr5 s ILE 63 Cb -0.14 -3.46 0.08 0.00 -1.06 0.00 0.00 42.46 37.88 1qr5 s ILE 63 CO -0.14 0.50 0.05 -0.31 -0.10 0.00 0.00 174.94 174.94 1qr5 s TYR 64 N -0.13 1.93 -0.13 3.97 1.51 -0.72 -1.17 117.35 122.61 1qr5 s TYR 64 Ca 0.11 -1.69 -0.15 0.00 -1.01 0.00 0.00 57.07 54.34 1qr5 s TYR 64 Cb -0.12 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 1qr5 s TYR 64 CO 0.01 -0.81 0.34 0.00 -1.11 0.00 0.00 175.55 173.98 1qr5 s ALA 65 N 1.55 3.60 -0.44 3.71 0.00 -0.79 -0.57 121.76 128.80 1qr5 s ALA 65 Ca 0.04 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1qr5 s ALA 65 Cb -0.18 -2.42 0.19 0.00 0.00 0.00 0.00 23.12 20.71 1qr5 s ALA 65 CO -0.16 0.16 0.50 -0.40 0.00 0.00 0.00 175.76 175.86 1qr5 n ASP 66 N 3.25 -1.34 -0.42 0.00 5.75 -0.91 -1.46 116.55 121.42 1qr5 n ASP 66 Ca -0.12 -2.61 -0.00 0.00 -0.01 0.00 0.00 54.79 52.05 1qr5 n ASP 66 Cb 0.52 0.19 -0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1qr5 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qr5 n GLY 67 N 2.62 0.71 0.00 6.12 0.00 -1.26 -3.90 105.19 109.48 1qr5 n GLY 67 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1qr5 n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qr5 n SER 68 N 0.00 0.00 -2.13 1.61 3.41 -1.26 -3.97 113.62 111.28 1qr5 n SER 68 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.41 1qr5 n SER 68 Cb 0.39 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1qr5 n SER 68 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qr5 n ASP 69 N 0.00 6.12 0.26 4.04 8.00 -1.26 -4.48 116.55 129.23 1qr5 n ASP 69 Ca 0.00 -2.95 0.15 0.00 0.71 0.00 0.00 54.79 52.70 1qr5 n ASP 69 Cb 0.00 -1.21 0.61 0.00 -0.02 0.00 0.00 41.12 40.50 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 2.38 0.00 0.00 -1.24 4.11 -1.89 -2.18 114.58 115.76 1qr5 h GLU 70 Ca 0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.60 1qr5 h GLU 70 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1qr5 h GLU 70 CO 0.63 0.07 -0.68 0.00 0.07 0.00 0.00 179.01 179.11 1qr5 h ALA 71 N 1.93 0.13 -0.75 1.06 0.00 -1.89 -3.32 119.26 116.42 1qr5 h ALA 71 Ca -0.00 -0.82 0.14 0.00 0.00 0.00 0.00 54.91 54.23 1qr5 h ALA 71 Cb 0.58 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1qr5 h ALA 71 CO 0.01 0.40 0.50 0.22 0.00 0.00 0.00 179.25 180.38 1qr5 h ASP 72 N -1.00 0.42 0.24 0.00 1.82 -1.91 -2.69 116.42 113.30 1qr5 h ASP 72 Ca -0.17 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1qr5 h ASP 72 Cb 1.03 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.96 1qr5 h ASP 72 CO -0.11 0.23 -0.32 0.00 -1.61 0.00 0.00 179.24 177.43 1qr5 h ALA 73 N 1.65 -0.95 -0.94 -0.78 0.00 -1.52 -1.50 119.26 115.22 1qr5 h ALA 73 Ca 0.36 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.40 1qr5 h ALA 73 Cb 0.77 0.61 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 1qr5 h ALA 73 CO -0.12 -0.99 0.48 0.82 0.00 0.00 0.00 179.25 179.44 1qr5 h ILE 74 N -0.59 0.49 0.06 0.00 5.03 -1.57 0.80 117.51 121.73 1qr5 h ILE 74 Ca -0.03 -0.16 -0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1qr5 h ILE 74 Cb 0.53 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.30 1qr5 h ILE 74 CO -0.08 0.09 -0.03 1.56 -0.68 0.00 0.00 178.15 179.00 1qr5 h GLN 75 N 0.47 -0.08 -0.67 2.37 1.08 -1.33 0.12 115.11 117.07 1qr5 h GLN 75 Ca 0.60 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.89 1qr5 h GLN 75 Cb 1.15 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.56 1qr5 h GLN 75 CO -0.51 -0.06 0.44 0.00 -0.95 0.00 0.00 178.83 177.76 1qr5 h ALA 76 N -1.91 1.88 -0.87 3.87 0.00 -0.98 0.10 119.26 121.35 1qr5 h ALA 76 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qr5 h ALA 76 Cb 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1qr5 h ALA 76 CO 0.01 -0.01 0.56 0.82 0.00 0.00 0.00 179.25 180.63 1qr5 h ILE 77 N 0.57 1.23 0.51 0.00 1.08 0.73 -2.39 117.51 119.23 1qr5 h ILE 77 Ca 0.30 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1qr5 h ILE 77 Cb 0.45 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1qr5 h ILE 77 CO -0.10 0.23 -0.41 0.74 -0.69 0.00 0.00 178.15 177.92 1qr5 h THR 78 N 1.18 0.18 -1.01 -0.27 2.02 0.13 -0.76 112.91 114.37 1qr5 h THR 78 Ca 0.32 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.83 1qr5 h THR 78 Cb -0.11 0.18 -0.15 0.00 -1.74 0.00 0.00 68.15 66.33 1qr5 h THR 78 CO -0.07 0.00 0.58 0.44 0.37 0.00 0.00 175.52 176.84 1qr5 h ASP 79 N -0.91 0.50 0.74 4.18 3.32 -1.23 2.14 116.42 125.17 1qr5 h ASP 79 Ca -0.06 0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1qr5 h ASP 79 Cb 0.77 0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.47 1qr5 h ASP 79 CO -0.00 -0.15 -0.36 0.58 -1.72 0.00 0.00 179.24 177.59 1qr5 h VAL 80 N 0.30 0.00 -0.18 -1.35 2.07 -0.83 -0.25 116.25 116.01 1qr5 h VAL 80 Ca 0.74 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 68.04 1qr5 h VAL 80 Cb 1.74 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1qr5 h VAL 80 CO -0.60 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 176.87 1qr5 h LEU 81 N -1.18 0.25 -1.39 2.57 3.38 0.36 -1.36 115.31 117.93 1qr5 h LEU 81 Ca -0.10 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1qr5 h LEU 81 Cb 0.76 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1qr5 h LEU 81 CO 0.17 0.34 0.09 0.77 0.09 0.00 0.00 178.44 179.89 1qr5 h SER 82 N 0.26 0.45 0.18 -0.43 4.64 0.35 -1.49 113.55 117.52 1qr5 h SER 82 Ca 0.06 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1qr5 h SER 82 Cb 0.26 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1qr5 h SER 82 CO 0.01 0.45 -0.12 0.50 -0.87 0.00 0.00 176.83 176.81 1qr5 h LYS 83 N 0.49 0.00 0.00 4.77 1.63 0.15 -1.68 116.57 121.94 1qr5 h LYS 83 Ca 0.12 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1qr5 h LYS 83 Cb 0.18 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1qr5 h LYS 83 CO -0.00 0.12 -0.09 0.93 -3.45 0.00 0.00 179.45 176.95 1qr5 h GLU 84 N 0.00 0.00 0.00 1.90 4.39 -1.27 -0.92 114.58 118.68 1qr5 h GLU 84 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qr5 h GLU 84 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1qr5 h GLU 84 CO 0.02 0.09 0.00 0.78 -1.16 0.00 0.00 179.01 178.73 1qr5 h GLY 85 N 0.31 0.00 1.24 -3.84 0.00 -1.39 -2.35 103.07 97.05 1qr5 h GLY 85 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1qr5 h GLY 85 CO 0.01 0.00 0.28 0.17 0.00 0.00 0.00 176.54 177.00 1qr5 h LEU 86 N 0.00 0.00 0.00 3.11 8.10 -1.31 -3.39 115.31 121.83 1qr5 h LEU 86 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1qr5 h LEU 86 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1qr5 h LEU 86 CO 0.00 0.00 0.00 0.35 -4.11 0.00 0.00 178.44 174.68 1qr5 n THR 87 N -4.41 0.00 0.00 0.15 -2.24 -0.88 -5.19 114.28 101.71 1qr5 n THR 87 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1qr5 n THR 87 Cb 0.46 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1qr5 n THR 87 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66