#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qx5 s GLN 3 N 0.00 1.49 0.25 -0.67 1.11 -1.26 -5.03 119.66 115.55 1qx5 s GLN 3 Ca 0.00 -1.70 -0.30 0.00 0.01 0.00 0.00 55.36 53.37 1qx5 s GLN 3 Cb 0.00 -1.30 -0.11 0.00 -1.01 0.00 0.00 33.01 30.60 1qx5 s GLN 3 CO 0.00 0.17 1.55 -0.51 0.01 0.00 0.00 175.29 176.52 1qx5 s LEU 4 N -3.41 4.36 0.78 2.90 1.43 -1.26 -5.00 118.68 118.49 1qx5 s LEU 4 Ca 0.26 2.80 -0.11 0.00 -1.03 0.00 0.00 54.13 56.05 1qx5 s LEU 4 Cb -0.00 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.67 1qx5 s LEU 4 CO 0.10 -0.84 1.15 0.42 0.23 0.00 0.00 176.35 177.42 1qx5 s THR 5 N 0.29 2.22 -0.23 5.49 -4.23 -1.26 -4.82 115.64 113.10 1qx5 s THR 5 Ca 0.64 0.03 0.27 0.00 -1.18 0.00 0.00 61.69 61.45 1qx5 s THR 5 Cb -0.45 -3.06 0.29 0.00 1.34 0.00 0.00 72.50 70.61 1qx5 s THR 5 CO 0.42 -0.08 1.81 -0.33 -0.54 0.00 0.00 174.62 175.90 1qx5 h GLU 6 N -0.95 0.00 0.14 3.99 4.39 -1.99 -1.75 114.58 118.40 1qx5 h GLU 6 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1qx5 h GLU 6 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1qx5 h GLU 6 CO 0.65 0.00 -0.07 1.49 -1.16 0.00 0.00 179.01 179.92 1qx5 h GLU 7 N 0.00 -0.18 0.36 2.33 4.81 -2.00 -2.87 114.58 117.03 1qx5 h GLU 7 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1qx5 h GLU 7 Cb 0.31 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1qx5 h GLU 7 CO 0.00 0.26 -0.30 1.96 -0.73 0.00 0.00 179.01 180.20 1qx5 h GLN 8 N -0.86 -0.63 -0.93 1.92 4.20 -1.76 -2.27 115.11 114.78 1qx5 h GLN 8 Ca -0.02 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.89 1qx5 h GLN 8 Cb 0.53 0.14 -0.16 0.00 0.30 0.00 0.00 27.48 28.30 1qx5 h GLN 8 CO 0.03 -0.42 -0.34 0.82 -0.67 0.00 0.00 178.83 178.26 1qx5 h ILE 9 N -0.65 0.04 -0.94 2.54 2.04 -1.49 0.40 117.51 119.45 1qx5 h ILE 9 Ca -0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.90 1qx5 h ILE 9 Cb 0.55 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 1qx5 h ILE 9 CO -0.01 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.75 1qx5 h ALA 10 N 1.50 1.55 -0.21 1.87 0.00 -1.40 -0.02 119.26 122.55 1qx5 h ALA 10 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1qx5 h ALA 10 Cb 0.62 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1qx5 h ALA 10 CO -0.95 0.27 0.04 1.49 0.00 0.00 0.00 179.25 180.10 1qx5 h GLU 11 N 0.99 0.35 0.00 0.00 4.22 0.33 -0.08 114.58 120.39 1qx5 h GLU 11 Ca 0.43 -0.09 -0.05 0.00 0.08 0.00 0.00 59.36 59.73 1qx5 h GLU 11 Cb 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1qx5 h GLU 11 CO -0.19 0.49 -0.24 0.74 -2.18 0.00 0.00 179.01 177.62 1qx5 h PHE 12 N 0.15 0.00 0.10 0.92 0.05 -0.64 -0.70 116.94 116.81 1qx5 h PHE 12 Ca 0.07 0.00 -0.28 0.00 3.82 0.00 0.00 57.97 61.57 1qx5 h PHE 12 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.24 1qx5 h PHE 12 CO 0.02 0.24 -1.40 -0.22 -0.18 0.00 0.00 178.31 176.77 1qx5 h LYS 13 N 0.00 0.21 -0.54 1.51 3.11 -0.83 -1.98 116.57 118.04 1qx5 h LYS 13 Ca -0.00 -0.35 -0.07 0.00 -2.81 0.00 0.00 60.65 57.41 1qx5 h LYS 13 Cb 0.51 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1qx5 h LYS 13 CO 0.03 1.08 0.06 1.49 -2.81 0.00 0.00 179.45 179.30 1qx5 h GLU 14 N 0.06 0.92 0.05 1.90 4.81 -0.59 0.11 114.58 121.84 1qx5 h GLU 14 Ca -0.19 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1qx5 h GLU 14 Cb 1.97 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.26 1qx5 h GLU 14 CO 0.16 0.91 -0.03 0.00 -0.73 0.00 0.00 179.01 179.32 1qx5 h ALA 15 N 0.98 -0.07 0.30 2.92 0.00 -1.16 -0.69 119.26 121.53 1qx5 h ALA 15 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qx5 h ALA 15 Cb 0.46 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1qx5 h ALA 15 CO 0.02 -0.33 -0.21 0.35 0.00 0.00 0.00 179.25 179.08 1qx5 h PHE 16 N -0.49 -0.56 -0.35 0.00 3.57 -1.37 -2.71 116.94 115.02 1qx5 h PHE 16 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1qx5 h PHE 16 Cb 0.44 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1qx5 h PHE 16 CO 0.07 -0.33 0.05 1.03 -2.23 0.00 0.00 178.31 176.90 1qx5 h SER 17 N -0.51 0.49 -0.92 0.41 0.87 -0.82 -2.46 113.55 110.60 1qx5 h SER 17 Ca -0.02 -0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.58 1qx5 h SER 17 Cb 0.44 -0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 62.19 1qx5 h SER 17 CO 0.00 0.53 0.55 0.25 -0.53 0.00 0.00 176.83 177.63 1qx5 h LEU 18 N 0.52 0.77 -3.44 2.23 7.12 -0.80 0.21 115.31 121.92 1qx5 h LEU 18 Ca 0.12 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1qx5 h LEU 18 Cb 0.26 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1qx5 h LEU 18 CO 0.00 0.39 0.00 0.49 -0.13 0.00 0.00 178.44 179.19 1qx5 n PHE 19 N -4.72 1.83 -2.84 1.25 3.72 -1.07 -4.78 117.46 110.85 1qx5 n PHE 19 Ca 0.18 -0.72 -0.43 0.00 -0.05 0.00 0.00 57.45 56.42 1qx5 n PHE 19 Cb 0.37 -0.43 -0.02 0.00 -0.94 0.00 0.00 39.48 38.46 1qx5 n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qx5 s ASP 20 N -0.94 6.75 0.00 4.37 3.68 0.74 -4.90 116.67 126.37 1qx5 s ASP 20 Ca 0.53 -2.24 0.00 0.00 2.13 0.00 0.00 52.55 52.96 1qx5 s ASP 20 Cb 0.39 -2.44 0.00 0.00 -1.45 0.00 0.00 42.92 39.42 1qx5 s ASP 20 CO 0.17 -1.06 0.82 1.17 0.13 0.00 0.00 175.17 176.40 1qx5 n LYS 21 N 6.84 0.00 0.00 4.34 3.00 -1.26 -3.43 118.16 127.65 1qx5 n LYS 21 Ca 0.31 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 1qx5 n LYS 21 Cb 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1qx5 n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1qx5 n ASP 22 N -2.37 0.00 0.00 3.14 5.68 -1.26 -4.96 116.55 116.78 1qx5 n ASP 22 Ca 0.00 0.84 0.00 0.00 -0.50 0.00 0.00 54.79 55.13 1qx5 n ASP 22 Cb 0.00 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1qx5 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qx5 n GLY 23 N -0.93 0.68 0.00 6.12 0.00 -1.22 -5.07 105.19 104.77 1qx5 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qx5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qx5 n ASP 24 N 0.00 0.00 0.00 1.61 3.85 -1.26 -4.98 116.55 115.77 1qx5 n ASP 24 Ca 0.00 0.18 0.00 0.00 -0.71 0.00 0.00 54.79 54.26 1qx5 n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1qx5 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qx5 n GLY 25 N 0.84 0.00 3.11 6.12 0.00 -1.26 -5.02 105.19 108.97 1qx5 n GLY 25 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1qx5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qx5 s THR 26 N 0.00 0.21 0.13 2.61 -4.23 -1.22 -2.48 115.64 110.65 1qx5 s THR 26 Ca 0.00 -1.84 -0.25 0.00 -1.18 0.00 0.00 61.69 58.43 1qx5 s THR 26 Cb 0.00 -1.64 0.07 0.00 1.34 0.00 0.00 72.50 72.27 1qx5 s THR 26 CO 0.00 -0.88 0.76 0.27 -0.54 0.00 0.00 174.62 174.23 1qx5 s ILE 27 N -3.94 0.00 0.40 2.99 -4.36 -1.02 -4.59 121.20 110.68 1qx5 s ILE 27 Ca 0.11 -0.26 0.08 0.00 -0.26 0.00 0.00 60.65 60.32 1qx5 s ILE 27 Cb 0.08 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.45 1qx5 s ILE 27 CO -0.07 0.00 0.26 0.42 0.24 0.00 0.00 174.94 175.79 1qx5 s THR 28 N -3.52 2.62 0.38 8.37 -4.23 -1.26 -0.49 115.64 117.51 1qx5 s THR 28 Ca 0.05 -1.54 0.18 0.00 -1.18 0.00 0.00 61.69 59.20 1qx5 s THR 28 Cb -0.02 -3.01 0.38 0.00 1.34 0.00 0.00 72.50 71.20 1qx5 s THR 28 CO -0.06 -0.04 1.75 0.74 -0.54 0.00 0.00 174.62 176.47 1qx5 h THR 29 N 1.28 0.48 -0.25 3.99 2.02 -1.90 0.74 112.91 119.27 1qx5 h THR 29 Ca -0.42 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1qx5 h THR 29 Cb 1.26 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1qx5 h THR 29 CO 0.63 0.07 -0.05 0.50 0.37 0.00 0.00 175.52 177.04 1qx5 h LYS 30 N 0.40 0.48 0.00 6.66 1.63 -1.91 -2.02 116.57 121.80 1qx5 h LYS 30 Ca 0.63 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 60.24 1qx5 h LYS 30 Cb 1.55 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1qx5 h LYS 30 CO -0.35 0.69 -0.05 0.93 -3.45 0.00 0.00 179.45 177.22 1qx5 h GLU 31 N 0.22 0.00 -0.12 1.90 5.08 -0.02 -2.36 114.58 119.29 1qx5 h GLU 31 Ca 0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1qx5 h GLU 31 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1qx5 h GLU 31 CO 0.02 0.05 -0.28 1.25 -1.00 0.00 0.00 179.01 179.05 1qx5 h LEU 32 N 0.00 0.45 -0.44 1.33 5.85 0.31 -1.12 115.31 121.69 1qx5 h LEU 32 Ca -0.00 -0.58 0.05 0.00 0.84 0.00 0.00 57.88 58.19 1qx5 h LEU 32 Cb 0.40 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1qx5 h LEU 32 CO 0.01 0.95 0.18 1.23 -0.34 0.00 0.00 178.44 180.47 1qx5 h GLY 33 N -0.03 0.59 1.03 3.75 0.00 -0.87 0.12 103.07 107.67 1qx5 h GLY 33 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1qx5 h GLY 33 CO 0.06 0.06 0.41 -0.84 0.00 0.00 0.00 176.54 176.22 1qx5 h THR 34 N 0.37 1.26 0.38 4.70 2.02 -1.43 -1.22 112.91 118.99 1qx5 h THR 34 Ca 0.20 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1qx5 h THR 34 Cb 0.16 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1qx5 h THR 34 CO -0.18 0.30 -0.18 0.58 0.37 0.00 0.00 175.52 176.41 1qx5 h VAL 35 N 1.18 0.55 -0.25 3.16 2.07 -0.71 -2.03 116.25 120.23 1qx5 h VAL 35 Ca 0.29 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1qx5 h VAL 35 Cb 0.11 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 1qx5 h VAL 35 CO -0.04 0.09 -0.33 0.24 0.02 0.00 0.00 177.57 177.55 1qx5 h MET 36 N -0.85 -0.33 0.00 1.57 2.86 -0.67 0.74 114.93 118.25 1qx5 h MET 36 Ca -0.05 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1qx5 h MET 36 Cb 0.54 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1qx5 h MET 36 CO 0.09 -0.22 -0.08 0.07 1.06 0.00 0.00 176.91 177.83 1qx5 h ARG 37 N -0.34 0.00 0.00 1.72 0.11 -1.30 0.14 114.38 114.70 1qx5 h ARG 37 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1qx5 h ARG 37 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 1qx5 h ARG 37 CO -0.44 0.08 0.00 -1.13 0.10 0.00 0.00 179.97 178.58 1qx5 n SER 38 N -3.20 0.00 -1.10 0.08 3.41 0.22 -1.23 113.62 111.80 1qx5 n SER 38 Ca 0.01 0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.84 1qx5 n SER 38 Cb 0.36 -0.31 0.27 0.00 -0.26 0.00 0.00 64.21 64.27 1qx5 n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qx5 n LEU 39 N -1.31 4.03 -0.00 1.04 4.77 0.44 -4.95 117.00 121.03 1qx5 n LEU 39 Ca 0.06 -2.59 -0.00 0.00 -0.03 0.00 0.00 56.01 53.44 1qx5 n LEU 39 Cb 0.10 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1qx5 n LEU 39 CO 0.10 0.72 -0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1qx5 n GLY 40 N 0.29 0.48 3.97 -0.72 0.00 -0.37 -5.02 105.19 103.82 1qx5 n GLY 40 Ca 0.21 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1qx5 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qx5 s GLN 41 N -0.35 3.27 -0.41 1.61 -1.52 -1.02 -4.28 119.66 116.97 1qx5 s GLN 41 Ca 0.00 -0.70 0.06 0.00 -1.95 0.00 0.00 55.36 52.76 1qx5 s GLN 41 Cb 0.00 -2.76 0.20 0.00 -0.22 0.00 0.00 33.01 30.23 1qx5 s GLN 41 CO 0.00 0.12 0.44 -1.71 -0.25 0.00 0.00 175.29 173.90 1qx5 n ASN 42 N -1.69 -0.44 -4.77 5.90 5.15 -1.26 -3.71 115.26 114.44 1qx5 n ASN 42 Ca -0.03 -2.55 -0.38 0.00 -0.60 0.00 0.00 54.58 51.02 1qx5 n ASN 42 Cb 0.57 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 39.34 1qx5 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qx5 s PRO 43 N -0.37 4.65 0.82 1.20 0.04 -1.26 -5.06 135.00 135.02 1qx5 s PRO 43 Ca 0.34 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 1qx5 s PRO 43 Cb 0.09 -2.92 0.09 0.00 0.04 0.00 0.00 34.50 31.80 1qx5 s PRO 43 CO -0.16 0.34 1.19 -0.08 0.04 0.00 0.00 177.00 178.33 1qx5 s THR 44 N -1.50 2.01 0.27 1.26 -1.32 -1.26 -4.83 115.64 110.27 1qx5 s THR 44 Ca 0.48 -0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 60.92 1qx5 s THR 44 Cb -0.20 -3.00 0.23 0.00 -1.51 0.00 0.00 72.50 68.01 1qx5 s THR 44 CO 0.26 0.00 1.91 -0.08 -2.21 0.00 0.00 174.62 174.50 1qx5 h GLU 45 N -1.10 1.11 -0.42 7.08 4.81 -2.00 -1.06 114.58 122.99 1qx5 h GLU 45 Ca -0.46 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 58.55 1qx5 h GLU 45 Cb 1.32 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1qx5 h GLU 45 CO 0.63 0.79 -0.16 0.00 -0.73 0.00 0.00 179.01 179.54 1qx5 h ALA 46 N 1.39 0.59 -0.41 2.92 0.00 -1.99 -1.85 119.26 119.91 1qx5 h ALA 46 Ca 0.29 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1qx5 h ALA 46 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qx5 h ALA 46 CO -0.05 0.53 0.11 0.93 0.00 0.00 0.00 179.25 180.77 1qx5 h GLU 47 N 0.68 0.64 0.19 0.00 5.08 -1.80 -0.50 114.58 118.87 1qx5 h GLU 47 Ca 0.10 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1qx5 h GLU 47 Cb 0.72 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1qx5 h GLU 47 CO 0.05 0.65 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.35 1qx5 h LEU 48 N 0.51 -0.81 -0.81 1.33 3.38 -1.05 -1.00 115.31 116.87 1qx5 h LEU 48 Ca 0.13 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1qx5 h LEU 48 Cb 0.28 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1qx5 h LEU 48 CO -0.00 -0.39 0.44 -0.61 0.09 0.00 0.00 178.44 177.96 1qx5 h GLN 49 N -0.55 0.67 -0.25 1.13 5.75 -1.15 0.67 115.11 121.38 1qx5 h GLN 49 Ca 0.01 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1qx5 h GLN 49 Cb 0.54 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1qx5 h GLN 49 CO -0.12 0.45 0.15 -0.44 -2.65 0.00 0.00 178.83 176.21 1qx5 h ASP 50 N 0.70 0.29 0.01 -0.69 3.32 -0.69 0.15 116.42 119.50 1qx5 h ASP 50 Ca 0.41 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1qx5 h ASP 50 Cb 0.47 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1qx5 h ASP 50 CO -0.29 0.23 -0.00 0.24 -1.72 0.00 0.00 179.24 177.69 1qx5 h MET 51 N 0.34 -0.01 -0.68 3.56 2.86 0.16 -1.55 114.93 119.61 1qx5 h MET 51 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1qx5 h MET 51 Cb -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1qx5 h MET 51 CO -0.02 0.51 0.43 0.82 1.06 0.00 0.00 176.91 179.71 1qx5 h ILE 52 N -0.54 1.18 0.00 -1.22 1.08 -0.56 0.22 117.51 117.68 1qx5 h ILE 52 Ca -0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1qx5 h ILE 52 Cb 0.53 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1qx5 h ILE 52 CO 0.00 0.18 0.00 0.59 -0.69 0.00 0.00 178.15 178.24 1qx5 n ASN 53 N -4.42 0.00 -0.08 1.72 5.03 0.50 -2.90 115.26 115.11 1qx5 n ASN 53 Ca 0.07 -0.82 -0.20 0.00 0.87 0.00 0.00 54.58 54.50 1qx5 n ASN 53 Cb 0.05 -0.04 -0.13 0.00 -1.02 0.00 0.00 39.78 38.64 1qx5 n ASN 53 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1qx5 n GLU 54 N -1.04 0.68 0.00 3.52 2.13 0.57 -4.50 120.64 122.00 1qx5 n GLU 54 Ca 0.21 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1qx5 n GLU 54 Cb 0.12 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1qx5 n GLU 54 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1qx5 n VAL 55 N -3.40 0.00 -3.42 6.31 0.31 -0.11 -4.76 118.33 113.26 1qx5 n VAL 55 Ca -0.41 0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.49 1qx5 n VAL 55 Cb 1.00 -0.43 -0.05 0.00 -0.91 0.00 0.00 33.84 33.45 1qx5 n VAL 55 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1qx5 s ASP 56 N -1.41 6.19 0.00 4.52 3.84 -1.20 -4.85 116.67 123.76 1qx5 s ASP 56 Ca 0.00 -2.30 0.21 0.00 -0.00 0.00 0.00 52.55 50.46 1qx5 s ASP 56 Cb 0.00 -2.12 1.25 0.00 -1.38 0.00 0.00 42.92 40.66 1qx5 s ASP 56 CO 0.00 -0.65 1.77 0.00 -0.00 0.00 0.00 175.17 176.29 1qx5 n ALA 57 N 4.46 2.58 0.63 2.11 0.00 -1.26 -3.91 120.51 125.12 1qx5 n ALA 57 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1qx5 n ALA 57 Cb 0.43 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1qx5 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qx5 n ASP 58 N -0.84 0.61 -1.42 0.00 5.68 -1.26 -4.78 116.55 114.53 1qx5 n ASP 58 Ca 0.16 -1.24 -0.15 0.00 -0.50 0.00 0.00 54.79 53.06 1qx5 n ASP 58 Cb 0.07 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 39.71 1qx5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qx5 n GLY 59 N 0.19 0.58 0.06 6.12 0.00 -1.25 -4.88 105.19 106.00 1qx5 n GLY 59 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 1qx5 n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qx5 n ASN 60 N -0.61 0.60 0.00 1.61 4.05 -1.26 -5.00 115.26 114.65 1qx5 n ASN 60 Ca -0.16 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.87 1qx5 n ASN 60 Cb 0.56 1.27 0.00 0.00 1.23 0.00 0.00 39.78 42.84 1qx5 n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qx5 n GLY 61 N 1.73 0.22 3.96 8.20 0.00 -1.26 -4.98 105.19 113.06 1qx5 n GLY 61 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1qx5 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qx5 s THR 62 N -1.65 2.55 -0.03 2.61 -4.23 -1.26 -2.79 115.64 110.83 1qx5 s THR 62 Ca 0.00 -0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1qx5 s THR 62 Cb 0.00 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.86 1qx5 s THR 62 CO 0.00 0.00 0.16 -0.63 -0.54 0.00 0.00 174.62 173.61 1qx5 s ILE 63 N -2.90 0.05 0.06 2.99 1.09 0.36 -4.37 121.20 118.47 1qx5 s ILE 63 Ca 0.58 -0.38 -0.05 0.00 -1.10 0.00 0.00 60.65 59.70 1qx5 s ILE 63 Cb -0.10 -0.37 -0.05 0.00 -1.06 0.00 0.00 42.46 40.88 1qx5 s ILE 63 CO 0.40 -0.21 0.30 -1.81 -0.10 0.00 0.00 174.94 173.52 1qx5 s ASP 64 N -0.74 6.49 0.30 3.58 1.01 -1.25 -2.43 116.67 123.63 1qx5 s ASP 64 Ca -0.08 0.54 0.06 0.00 0.71 0.00 0.00 52.55 53.78 1qx5 s ASP 64 Cb -0.05 -2.08 0.75 0.00 1.01 0.00 0.00 42.92 42.56 1qx5 s ASP 64 CO 0.01 0.18 1.76 0.15 0.21 0.00 0.00 175.17 177.48 1qx5 h PHE 65 N 3.54 1.01 0.05 4.23 3.57 -1.89 -1.07 116.94 126.39 1qx5 h PHE 65 Ca -0.48 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1qx5 h PHE 65 Cb 1.18 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1qx5 h PHE 65 CO 0.65 0.18 -0.02 -1.35 -2.23 0.00 0.00 178.31 175.54 1qx5 h PRO 66 N 0.69 -0.06 -0.77 6.41 0.11 -1.95 0.18 132.00 136.61 1qx5 h PRO 66 Ca 0.58 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.73 1qx5 h PRO 66 Cb 0.96 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 1qx5 h PRO 66 CO -0.41 0.00 0.49 0.93 -0.21 0.00 0.00 178.00 178.80 1qx5 h GLU 67 N -0.11 0.91 -0.53 1.05 5.08 -1.89 0.75 114.58 119.84 1qx5 h GLU 67 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1qx5 h GLU 67 Cb 0.09 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1qx5 h GLU 67 CO 0.01 0.60 0.25 0.35 -1.00 0.00 0.00 179.01 179.22 1qx5 h PHE 68 N 0.94 0.77 -0.13 4.33 3.04 -0.91 -1.29 116.94 123.70 1qx5 h PHE 68 Ca 0.31 -0.04 -0.11 0.00 3.98 0.00 0.00 57.97 62.11 1qx5 h PHE 68 Cb 0.04 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 1qx5 h PHE 68 CO -0.03 0.61 -0.42 1.25 -2.02 0.00 0.00 178.31 177.69 1qx5 h LEU 69 N 0.72 0.31 -0.37 0.59 6.46 -0.19 0.14 115.31 122.96 1qx5 h LEU 69 Ca 0.18 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 1qx5 h LEU 69 Cb 0.13 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1qx5 h LEU 69 CO -0.02 0.70 -0.01 0.74 -0.62 0.00 0.00 178.44 179.23 1qx5 h THR 70 N 0.24 1.26 0.75 1.05 2.02 -0.40 0.15 112.91 117.98 1qx5 h THR 70 Ca 0.02 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1qx5 h THR 70 Cb 0.85 1.19 0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1qx5 h THR 70 CO 0.07 0.34 -0.36 -0.03 0.37 0.00 0.00 175.52 175.90 1qx5 h MET 71 N 0.47 -0.97 -1.02 6.66 1.85 -1.00 -2.33 114.93 118.58 1qx5 h MET 71 Ca 0.10 0.07 0.25 0.00 -0.61 0.00 0.00 59.70 59.51 1qx5 h MET 71 Cb 0.48 0.22 -0.11 0.00 0.43 0.00 0.00 31.60 32.62 1qx5 h MET 71 CO 0.02 -0.65 0.62 0.52 -0.40 0.00 0.00 176.91 177.03 1qx5 h MET 72 N -1.01 0.51 0.52 0.39 2.07 -0.59 -2.31 114.93 114.51 1qx5 h MET 72 Ca -0.10 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.48 1qx5 h MET 72 Cb 0.78 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.37 1qx5 h MET 72 CO 0.17 0.34 -0.51 0.00 1.07 0.00 0.00 176.91 177.98 1qx5 h ALA 73 N 1.69 -1.15 -0.05 6.32 0.00 -0.15 0.16 119.26 126.07 1qx5 h ALA 73 Ca 0.62 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1qx5 h ALA 73 Cb 1.30 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 1qx5 h ALA 73 CO -0.41 -1.18 0.02 0.07 0.00 0.00 0.00 179.25 177.75 1qx5 h ARG 74 N -1.02 0.08 0.00 0.00 0.11 -1.18 -3.13 114.38 109.25 1qx5 h ARG 74 Ca -0.06 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1qx5 h ARG 74 Cb 0.88 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1qx5 h ARG 74 CO -0.06 0.23 0.00 1.57 0.10 0.00 0.00 179.97 181.82 1qx5 h LYS 75 N -0.08 0.00 0.00 0.08 2.10 -1.42 -3.18 116.57 114.06 1qx5 h LYS 75 Ca 0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1qx5 h LYS 75 Cb 0.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1qx5 h LYS 75 CO -0.00 0.00 -0.11 1.98 -2.00 0.00 0.00 179.45 179.32 1qx5 h MET 76 N 0.00 0.00 -0.14 0.07 4.05 -0.62 -2.59 114.93 115.71 1qx5 h MET 76 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1qx5 h MET 76 Cb 0.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1qx5 h MET 76 CO 0.00 0.11 0.00 1.63 0.23 0.00 0.00 176.91 178.88 1qx5 n LYS 77 N -3.17 1.45 -0.79 0.39 4.76 -1.20 -3.17 118.16 116.43 1qx5 n LYS 77 Ca 0.02 -0.69 0.01 0.00 -2.87 0.00 0.00 58.31 54.78 1qx5 n LYS 77 Cb 0.47 -1.28 0.19 0.00 -1.84 0.00 0.00 35.03 32.57 1qx5 n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1qx5 n ASP 78 N -0.04 2.18 -3.99 4.39 2.03 -0.97 -5.00 116.55 115.15 1qx5 n ASP 78 Ca 0.12 -3.88 -0.09 0.00 0.52 0.00 0.00 54.79 51.46 1qx5 n ASP 78 Cb 0.20 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 39.98 1qx5 n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1qx5 s THR 79 N -3.42 0.12 0.39 5.18 -4.23 -1.19 -5.10 115.64 107.39 1qx5 s THR 79 Ca 0.40 -0.99 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 1qx5 s THR 79 Cb 0.38 -0.38 -0.05 0.00 1.34 0.00 0.00 72.50 73.79 1qx5 s THR 79 CO -0.05 -0.54 0.13 1.51 -0.54 0.00 0.00 174.62 175.13 1qx5 s ASP 80 N -1.59 4.40 0.53 3.99 1.47 -1.26 -5.04 116.67 119.16 1qx5 s ASP 80 Ca -0.14 -1.02 0.31 0.00 1.18 0.00 0.00 52.55 52.89 1qx5 s ASP 80 Cb -0.08 -0.53 1.26 0.00 -0.34 0.00 0.00 42.92 43.23 1qx5 s ASP 80 CO -0.02 -0.44 1.95 -1.28 0.68 0.00 0.00 175.17 176.07 1qx5 h SER 81 N 1.54 0.00 0.66 2.11 0.87 -2.01 -3.32 113.55 113.40 1qx5 h SER 81 Ca -0.43 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 1qx5 h SER 81 Cb 1.25 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1qx5 h SER 81 CO 0.68 0.05 -0.32 -0.08 -0.53 0.00 0.00 176.83 176.64 1qx5 h GLU 82 N 0.00 -0.86 -0.59 2.24 4.81 -1.99 -2.57 114.58 115.62 1qx5 h GLU 82 Ca -0.00 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.46 1qx5 h GLU 82 Cb 0.56 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1qx5 h GLU 82 CO 0.01 -0.57 0.45 0.93 -0.73 0.00 0.00 179.01 179.10 1qx5 h GLU 83 N -1.12 0.00 -0.19 1.92 4.39 -1.95 0.61 114.58 118.25 1qx5 h GLU 83 Ca -0.09 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 1qx5 h GLU 83 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1qx5 h GLU 83 CO 0.15 0.00 -0.53 0.93 -1.16 0.00 0.00 179.01 178.40 1qx5 h GLU 84 N 0.00 0.54 0.05 2.33 5.08 -1.63 -0.13 114.58 120.81 1qx5 h GLU 84 Ca 0.28 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1qx5 h GLU 84 Cb 1.18 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1qx5 h GLU 84 CO -0.00 0.94 -0.02 0.82 -1.00 0.00 0.00 179.01 179.74 1qx5 h ILE 85 N 0.42 1.26 -0.77 3.13 2.04 0.41 -2.72 117.51 121.28 1qx5 h ILE 85 Ca 0.01 -1.06 0.14 0.00 1.00 0.00 0.00 64.86 64.95 1qx5 h ILE 85 Cb 1.06 1.95 -0.09 0.00 -0.74 0.00 0.00 36.82 39.00 1qx5 h ILE 85 CO 0.10 0.26 0.33 -0.09 0.00 0.00 0.00 178.15 178.76 1qx5 h ARG 86 N -0.54 0.48 0.00 2.37 2.43 -0.29 -1.34 114.38 117.48 1qx5 h ARG 86 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1qx5 h ARG 86 Cb 0.48 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1qx5 h ARG 86 CO 0.01 0.32 0.00 0.93 -1.51 0.00 0.00 179.97 179.72 1qx5 h GLU 87 N 0.49 0.00 0.09 0.20 4.39 -0.91 -1.06 114.58 117.78 1qx5 h GLU 87 Ca 0.42 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.95 1qx5 h GLU 87 Cb 0.61 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1qx5 h GLU 87 CO -0.38 0.00 -0.72 0.00 -1.16 0.00 0.00 179.01 176.75 1qx5 h ALA 88 N 2.23 -0.03 -0.19 3.43 0.00 -0.94 -3.04 119.26 120.72 1qx5 h ALA 88 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 1qx5 h ALA 88 Cb 0.46 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1qx5 h ALA 88 CO 0.00 0.36 -0.58 0.74 0.00 0.00 0.00 179.25 179.77 1qx5 h PHE 89 N -0.28 0.76 0.00 0.00 -1.00 -0.98 -1.34 116.94 114.10 1qx5 h PHE 89 Ca -0.11 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1qx5 h PHE 89 Cb 1.50 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.92 1qx5 h PHE 89 CO 0.18 1.03 0.11 0.00 -1.61 0.00 0.00 178.31 178.02 1qx5 h ARG 90 N 0.45 0.00 -0.45 1.51 3.08 -1.30 0.13 114.38 117.80 1qx5 h ARG 90 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1qx5 h ARG 90 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1qx5 h ARG 90 CO 0.11 0.00 0.08 0.28 -1.07 0.00 0.00 179.97 179.38 1qx5 h VAL 91 N 0.00 1.21 0.00 2.04 2.07 -1.11 -1.94 116.25 118.51 1qx5 h VAL 91 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1qx5 h VAL 91 Cb 0.22 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1qx5 h VAL 91 CO 0.00 0.28 0.00 -0.26 0.02 0.00 0.00 177.57 177.61 1qx5 h PHE 92 N 0.66 0.00 -1.01 1.57 -1.00 -0.89 -3.40 116.94 112.88 1qx5 h PHE 92 Ca 0.15 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.26 1qx5 h PHE 92 Cb 0.29 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.76 1qx5 h PHE 92 CO 0.01 0.00 2.02 0.34 -1.61 0.00 0.00 178.31 179.08 1qx5 s ASP 93 N -5.34 6.80 0.33 2.17 2.15 -0.73 -4.70 116.67 117.35 1qx5 s ASP 93 Ca 0.07 -2.32 0.05 0.00 0.43 0.00 0.00 52.55 50.77 1qx5 s ASP 93 Cb 0.09 -2.56 0.68 0.00 -0.30 0.00 0.00 42.92 40.82 1qx5 s ASP 93 CO 0.58 -1.19 1.88 0.11 -0.17 0.00 0.00 175.17 176.38 1qx5 h LYS 94 N 7.91 0.82 -0.06 4.34 1.79 -1.82 -2.34 116.57 127.21 1qx5 h LYS 94 Ca 0.40 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1qx5 h LYS 94 Cb 0.89 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1qx5 h LYS 94 CO 1.44 0.54 0.00 -0.40 -1.08 0.00 0.00 179.45 179.95 1qx5 n ASP 95 N -4.54 2.50 -2.11 0.86 5.75 -1.26 -5.00 116.55 112.74 1qx5 n ASP 95 Ca 0.16 -1.73 -0.12 0.00 -0.01 0.00 0.00 54.79 53.09 1qx5 n ASP 95 Cb 0.35 -0.03 0.04 0.00 -1.03 0.00 0.00 41.12 40.45 1qx5 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qx5 n GLY 96 N 0.97 0.17 0.44 6.12 0.00 -0.88 -4.94 105.19 107.06 1qx5 n GLY 96 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.98 1qx5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qx5 n ASN 97 N -0.94 2.19 0.00 1.61 2.04 -1.26 -4.98 115.26 113.92 1qx5 n ASN 97 Ca -0.01 -1.64 0.00 0.00 -0.44 0.00 0.00 54.58 52.49 1qx5 n ASN 97 Cb 0.54 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.71 1qx5 n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1qx5 n GLY 98 N 0.45 1.06 3.37 4.83 0.00 -1.26 -5.08 105.19 108.56 1qx5 n GLY 98 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1qx5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qx5 s TYR 99 N -2.24 2.58 0.42 1.61 2.02 -1.26 -5.08 117.35 115.40 1qx5 s TYR 99 Ca 0.00 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.30 1qx5 s TYR 99 Cb 0.00 -1.63 -0.06 0.00 -0.40 0.00 0.00 41.96 39.86 1qx5 s TYR 99 CO 0.00 -0.04 0.02 0.96 -1.57 0.00 0.00 175.55 174.92 1qx5 s ILE 100 N -0.36 1.66 -0.48 2.71 -4.36 -1.26 -4.57 121.20 114.52 1qx5 s ILE 100 Ca 0.03 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.24 1qx5 s ILE 100 Cb -0.12 -2.78 0.05 0.00 1.25 0.00 0.00 42.46 40.86 1qx5 s ILE 100 CO 0.02 0.00 0.57 -0.55 0.24 0.00 0.00 174.94 175.22 1qx5 s SER 101 N -3.70 6.22 0.60 4.36 0.15 -1.26 -4.93 113.70 115.13 1qx5 s SER 101 Ca 0.29 -0.89 0.29 0.00 0.70 0.00 0.00 55.95 56.34 1qx5 s SER 101 Cb 0.08 -2.27 1.61 0.00 -1.71 0.00 0.00 66.02 63.74 1qx5 s SER 101 CO 0.15 -0.80 2.02 0.00 1.20 0.00 0.00 173.24 175.80 1qx5 h ALA 102 N 8.91 1.86 0.00 5.45 0.00 -1.99 0.92 119.26 134.42 1qx5 h ALA 102 Ca -0.27 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1qx5 h ALA 102 Cb 1.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1qx5 h ALA 102 CO 0.92 -0.43 -0.54 0.00 0.00 0.00 0.00 179.25 179.20 1qx5 h ALA 103 N 1.62 1.02 0.24 0.00 0.00 -1.99 -1.10 119.26 119.05 1qx5 h ALA 103 Ca 0.12 -0.49 -0.34 0.00 0.00 0.00 0.00 54.91 54.20 1qx5 h ALA 103 Cb 0.73 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.47 1qx5 h ALA 103 CO -0.00 0.67 -1.50 0.93 0.00 0.00 0.00 179.25 179.35 1qx5 h GLU 104 N 0.00 0.51 -0.55 0.00 5.08 -1.27 -2.27 114.58 116.07 1qx5 h GLU 104 Ca -0.01 -0.87 0.04 0.00 -1.00 0.00 0.00 59.36 57.53 1qx5 h GLU 104 Cb 1.01 0.32 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 1qx5 h GLU 104 CO 0.07 1.41 0.30 1.25 -1.00 0.00 0.00 179.01 181.04 1qx5 h LEU 105 N 0.14 0.44 -0.93 1.33 5.85 -1.19 0.16 115.31 121.11 1qx5 h LEU 105 Ca -0.26 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 1qx5 h LEU 105 Cb 2.15 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 43.11 1qx5 h LEU 105 CO 0.26 0.30 -0.53 -0.09 -0.34 0.00 0.00 178.44 178.04 1qx5 h ARG 106 N 0.57 0.00 0.00 1.25 2.43 -1.18 -0.64 114.38 116.81 1qx5 h ARG 106 Ca 0.24 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.27 1qx5 h ARG 106 Cb 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1qx5 h ARG 106 CO -0.15 0.53 -0.66 1.25 -1.51 0.00 0.00 179.97 179.43 1qx5 h HIS 107 N 0.00 0.00 0.08 2.20 2.76 -0.66 0.24 115.15 119.77 1qx5 h HIS 107 Ca -0.01 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.94 1qx5 h HIS 107 Cb 0.94 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1qx5 h HIS 107 CO 0.00 0.66 -1.15 0.28 -1.30 0.00 0.00 177.93 176.42 1qx5 h VAL 108 N 0.00 1.16 -0.12 5.26 2.07 -0.50 -2.49 116.25 121.63 1qx5 h VAL 108 Ca -0.01 -2.37 -0.19 0.00 0.82 0.00 0.00 66.70 64.96 1qx5 h VAL 108 Cb 1.40 2.77 0.01 0.00 -1.52 0.00 0.00 31.29 33.95 1qx5 h VAL 108 CO 0.09 0.63 -0.66 0.24 0.02 0.00 0.00 177.57 177.89 1qx5 h MET 109 N -0.51 0.65 0.00 1.57 2.86 -1.19 -2.11 114.93 116.19 1qx5 h MET 109 Ca -0.26 -0.54 -0.12 0.00 -2.06 0.00 0.00 59.70 56.72 1qx5 h MET 109 Cb 1.58 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.33 1qx5 h MET 109 CO 0.02 1.16 -1.76 0.25 1.06 0.00 0.00 176.91 177.64 1qx5 n THR 110 N -4.08 0.68 -0.10 2.22 -2.24 0.07 -3.70 114.28 107.12 1qx5 n THR 110 Ca -0.08 -0.63 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1qx5 n THR 110 Cb 0.68 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1qx5 n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qx5 n ASN 111 N -2.59 1.94 -0.06 3.42 3.02 -0.99 -3.87 115.26 116.12 1qx5 n ASN 111 Ca -0.10 0.35 -0.03 0.00 -0.03 0.00 0.00 54.58 54.77 1qx5 n ASN 111 Cb 0.75 -0.77 0.21 0.00 -0.61 0.00 0.00 39.78 39.36 1qx5 n ASN 111 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1qx5 h LEU 112 N -1.00 0.64 -0.80 3.41 5.85 -1.38 -2.57 115.31 119.47 1qx5 h LEU 112 Ca -0.18 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1qx5 h LEU 112 Cb 1.13 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1qx5 h LEU 112 CO -0.11 0.72 0.42 1.23 -0.34 0.00 0.00 178.44 180.36 1qx5 h GLY 113 N 0.93 1.20 2.00 3.75 0.00 -1.46 -1.53 103.07 107.96 1qx5 h GLY 113 Ca 0.13 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1qx5 h GLY 113 CO 0.02 0.53 -0.34 -2.09 0.00 0.00 0.00 176.54 174.66 1qx5 h GLU 114 N 1.11 0.00 0.00 4.80 4.57 -1.57 -2.92 114.58 120.57 1qx5 h GLU 114 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1qx5 h GLU 114 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1qx5 h GLU 114 CO -0.04 0.34 0.00 1.63 -1.18 0.00 0.00 179.01 179.76 1qx5 n LYS 115 N -4.12 0.46 -3.45 1.92 5.02 -0.58 -4.83 118.16 112.58 1qx5 n LYS 115 Ca -0.02 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 1qx5 n LYS 115 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1qx5 n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1qx5 s LEU 116 N -2.34 -0.54 0.62 -0.35 0.05 -1.10 -5.11 118.68 109.91 1qx5 s LEU 116 Ca 0.26 0.10 0.02 0.00 0.05 0.00 0.00 54.13 54.55 1qx5 s LEU 116 Cb 0.15 2.47 0.08 0.00 -2.05 0.00 0.00 46.19 46.84 1qx5 s LEU 116 CO 0.30 -0.85 0.86 0.42 -0.55 0.00 0.00 176.35 176.53 1qx5 s THR 117 N -3.27 2.36 0.53 5.48 -4.23 -1.26 -4.84 115.64 110.40 1qx5 s THR 117 Ca 0.00 -0.72 0.19 0.00 -1.18 0.00 0.00 61.69 59.99 1qx5 s THR 117 Cb -0.01 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.47 1qx5 s THR 117 CO -0.09 0.00 2.16 0.44 -0.54 0.00 0.00 174.62 176.58 1qx5 h ASP 118 N -0.14 0.00 -0.26 3.99 5.19 -2.01 -1.79 116.42 121.40 1qx5 h ASP 118 Ca -0.37 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.85 1qx5 h ASP 118 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1qx5 h ASP 118 CO 0.44 0.02 -0.58 -0.08 -3.12 0.00 0.00 179.24 175.92 1qx5 h GLU 119 N 0.00 0.86 -0.82 3.56 4.57 -2.00 -2.97 114.58 117.78 1qx5 h GLU 119 Ca -0.00 -0.57 -0.04 0.00 -1.18 0.00 0.00 59.36 57.57 1qx5 h GLU 119 Cb 0.04 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1qx5 h GLU 119 CO 0.00 1.20 0.37 0.93 -1.18 0.00 0.00 179.01 180.33 1qx5 h GLU 120 N 0.65 1.20 0.06 1.92 5.08 -1.70 0.13 114.58 121.92 1qx5 h GLU 120 Ca 0.00 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1qx5 h GLU 120 Cb 1.20 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1qx5 h GLU 120 CO 0.13 0.94 -0.08 0.28 -1.00 0.00 0.00 179.01 179.28 1qx5 h VAL 121 N 1.18 0.81 0.06 3.13 2.07 -1.51 0.60 116.25 122.58 1qx5 h VAL 121 Ca 0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 1qx5 h VAL 121 Cb 0.16 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1qx5 h VAL 121 CO -0.03 0.00 -0.30 -0.78 0.02 0.00 0.00 177.57 176.48 1qx5 h ASP 122 N -0.16 -0.87 -0.59 0.57 1.82 -1.32 0.18 116.42 116.05 1qx5 h ASP 122 Ca 0.01 0.11 0.04 0.00 -0.39 0.00 0.00 57.03 56.80 1qx5 h ASP 122 Cb 0.17 0.34 -0.04 0.00 0.68 0.00 0.00 39.33 40.48 1qx5 h ASP 122 CO -0.04 -0.37 0.34 -0.33 -1.61 0.00 0.00 179.24 177.22 1qx5 h GLU 123 N -0.48 0.63 -0.56 0.28 5.08 -0.37 -0.69 114.58 118.46 1qx5 h GLU 123 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1qx5 h GLU 123 Cb 0.54 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1qx5 h GLU 123 CO -0.21 0.42 0.30 0.52 -1.00 0.00 0.00 179.01 179.04 1qx5 h MET 124 N 0.65 0.79 -0.04 2.33 2.86 0.72 -0.44 114.93 121.81 1qx5 h MET 124 Ca 0.25 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1qx5 h MET 124 Cb 0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1qx5 h MET 124 CO -0.14 0.61 -0.27 0.82 1.06 0.00 0.00 176.91 178.99 1qx5 h ILE 125 N 0.76 1.21 -0.09 -1.22 2.04 -0.36 -0.07 117.51 119.79 1qx5 h ILE 125 Ca 0.20 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 1qx5 h ILE 125 Cb 0.06 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1qx5 h ILE 125 CO -0.03 0.29 -0.17 0.03 0.00 0.00 0.00 178.15 178.27 1qx5 h ARG 126 N 0.06 0.27 -0.07 2.37 3.08 -0.06 -3.21 114.38 116.82 1qx5 h ARG 126 Ca 0.01 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1qx5 h ARG 126 Cb 0.51 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1qx5 h ARG 126 CO 0.04 0.76 -0.37 1.49 -1.07 0.00 0.00 179.97 180.82 1qx5 h GLU 127 N -0.19 0.15 -7.21 0.04 4.81 -1.00 -3.45 114.58 107.73 1qx5 h GLU 127 Ca 0.00 -0.06 -0.53 0.00 -0.13 0.00 0.00 59.36 58.65 1qx5 h GLU 127 Cb 0.75 -0.01 0.20 0.00 0.63 0.00 0.00 28.75 30.32 1qx5 h GLU 127 CO 0.04 0.50 0.20 0.00 -0.73 0.00 0.00 179.01 179.02 1qx5 n ALA 128 N -2.47 -0.68 -3.25 2.92 0.00 -0.05 -4.95 120.51 112.03 1qx5 n ALA 128 Ca -0.01 -0.49 -0.46 0.00 0.00 0.00 0.00 53.44 52.48 1qx5 n ALA 128 Cb 0.43 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 1qx5 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qx5 s ASP 129 N -2.43 6.97 0.65 0.00 3.68 -1.26 -4.97 116.67 119.30 1qx5 s ASP 129 Ca 0.68 -2.95 -0.15 0.00 2.13 0.00 0.00 52.55 52.26 1qx5 s ASP 129 Cb -0.25 -2.25 -0.01 0.00 -1.45 0.00 0.00 42.92 38.96 1qx5 s ASP 129 CO 0.56 -0.55 1.10 -0.63 0.13 0.00 0.00 175.17 175.78 1qx5 s ILE 130 N 0.12 3.35 0.50 4.11 1.09 -1.26 -4.66 121.20 124.46 1qx5 s ILE 130 Ca 0.26 0.63 0.02 0.00 -1.10 0.00 0.00 60.65 60.46 1qx5 s ILE 130 Cb -0.09 -3.16 0.02 0.00 -1.06 0.00 0.00 42.46 38.17 1qx5 s ILE 130 CO -0.08 -0.39 0.15 -0.90 -0.10 0.00 0.00 174.94 173.63 1qx5 n ASP 131 N -2.34 3.09 -0.33 3.58 5.68 -1.09 -4.93 116.55 120.21 1qx5 n ASP 131 Ca 0.10 -3.00 0.21 0.00 -0.50 0.00 0.00 54.79 51.60 1qx5 n ASP 131 Cb 0.52 0.19 0.43 0.00 -1.14 0.00 0.00 41.12 41.13 1qx5 n ASP 131 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1qx5 h GLY 132 N 0.96 1.95 -0.25 6.12 0.00 -1.97 0.54 103.07 110.42 1qx5 h GLY 132 Ca -0.38 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1qx5 h GLY 132 CO 0.61 -0.43 0.00 1.22 0.00 0.00 0.00 176.54 177.94 1qx5 n ASP 133 N -5.04 1.26 0.00 0.19 8.00 -1.26 -4.57 116.55 115.13 1qx5 n ASP 133 Ca 0.30 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1qx5 n ASP 133 Cb 0.90 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1qx5 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qx5 n GLY 134 N 1.14 0.74 3.71 0.44 0.00 0.19 -4.90 105.19 106.51 1qx5 n GLY 134 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1qx5 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qx5 s GLN 135 N -0.43 4.49 0.04 1.61 -1.52 -1.26 -4.71 119.66 117.87 1qx5 s GLN 135 Ca 0.00 1.21 0.08 0.00 -1.95 0.00 0.00 55.36 54.70 1qx5 s GLN 135 Cb 0.00 -3.47 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 1qx5 s GLN 135 CO 0.00 -0.06 -0.21 0.08 -0.25 0.00 0.00 175.29 174.85 1qx5 s VAL 136 N 1.12 2.57 -0.23 1.09 1.01 -1.26 -2.67 120.40 122.03 1qx5 s VAL 136 Ca 0.46 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1qx5 s VAL 136 Cb -0.19 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1qx5 s VAL 136 CO 0.23 0.37 1.29 0.21 0.00 0.00 0.00 175.10 177.20 1qx5 s ASN 137 N -1.31 6.81 0.39 3.32 3.84 -1.26 -4.87 114.94 121.85 1qx5 s ASN 137 Ca 0.13 1.48 0.28 0.00 0.21 0.00 0.00 52.86 54.96 1qx5 s ASN 137 Cb -0.10 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.39 1qx5 s ASN 137 CO 0.04 -0.92 1.84 0.10 -2.79 0.00 0.00 177.10 175.37 1qx5 h TYR 138 N 8.76 0.00 0.00 0.43 -0.00 -2.01 -2.10 116.97 122.05 1qx5 h TYR 138 Ca -0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.46 1qx5 h TYR 138 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.83 1qx5 h TYR 138 CO 0.84 0.00 -0.03 0.93 -0.00 0.00 0.00 178.16 179.89 1qx5 h GLU 139 N 0.00 0.00 -0.02 0.10 4.39 -1.99 -1.42 114.58 115.64 1qx5 h GLU 139 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1qx5 h GLU 139 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1qx5 h GLU 139 CO 0.00 0.03 -0.03 0.93 -1.16 0.00 0.00 179.01 178.78 1qx5 h GLU 140 N 0.00 0.06 -0.92 2.33 5.08 -1.78 -0.30 114.58 119.06 1qx5 h GLU 140 Ca -0.00 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1qx5 h GLU 140 Cb 0.49 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1qx5 h GLU 140 CO 0.00 0.57 0.58 0.74 -1.00 0.00 0.00 179.01 179.90 1qx5 h PHE 141 N -0.44 1.06 -0.21 4.33 0.05 -1.60 -0.63 116.94 119.50 1qx5 h PHE 141 Ca 0.00 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 1qx5 h PHE 141 Cb 0.56 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 1qx5 h PHE 141 CO 0.11 0.52 0.04 0.28 -0.18 0.00 0.00 178.31 179.08 1qx5 h VAL 142 N 1.03 1.22 -1.00 -0.55 2.07 -1.18 -1.14 116.25 116.69 1qx5 h VAL 142 Ca 0.41 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 67.32 1qx5 h VAL 142 Cb 0.22 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1qx5 h VAL 142 CO -0.19 0.22 0.64 -0.61 0.02 0.00 0.00 177.57 177.65 1qx5 h GLN 143 N 0.15 1.01 -0.08 1.57 5.75 -0.74 -2.79 115.11 119.98 1qx5 h GLN 143 Ca 0.07 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1qx5 h GLN 143 Cb 0.30 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1qx5 h GLN 143 CO 0.00 0.67 -0.16 0.52 -2.65 0.00 0.00 178.83 177.21 1qx5 h MET 144 N 1.04 0.26 0.00 1.69 2.86 -0.59 -2.38 114.93 117.81 1qx5 h MET 144 Ca 0.48 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1qx5 h MET 144 Cb 0.40 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1qx5 h MET 144 CO -0.24 0.75 0.00 -1.33 1.06 0.00 0.00 176.91 177.15 1qx5 n MET 145 N -4.58 0.03 -0.51 1.72 2.81 -0.48 -1.03 117.12 115.08 1qx5 n MET 145 Ca -0.07 0.48 0.06 0.00 -1.81 0.00 0.00 57.70 56.36 1qx5 n MET 145 Cb 0.38 -1.60 0.13 0.00 -0.71 0.00 0.00 33.22 31.42 1qx5 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1qx5 n THR 146 N -1.67 1.48 0.00 2.03 -2.24 -1.08 -4.97 114.28 107.83 1qx5 n THR 146 Ca 0.00 -2.13 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 1qx5 n THR 146 Cb 0.04 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1qx5 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qx5 n ALA 147 N -0.87 0.00 0.81 6.98 0.00 -0.20 -5.02 120.51 122.22 1qx5 n ALA 147 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.64 1qx5 n ALA 147 Cb 0.73 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.57 1qx5 n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67