#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qx5 s LEU 4 N 0.00 4.29 0.78 2.61 1.02 -1.26 -5.03 118.68 121.08 1qx5 s LEU 4 Ca 0.00 2.51 -0.09 0.00 0.02 0.00 0.00 54.13 56.57 1qx5 s LEU 4 Cb 0.00 -3.86 0.10 0.00 0.02 0.00 0.00 46.19 42.45 1qx5 s LEU 4 CO 0.00 -0.65 1.10 0.42 0.02 0.00 0.00 176.35 177.24 1qx5 s THR 5 N -1.28 2.16 0.26 5.49 -4.23 -1.26 -4.86 115.64 111.92 1qx5 s THR 5 Ca 0.54 -0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1qx5 s THR 5 Cb -0.35 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.63 1qx5 s THR 5 CO 0.45 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 176.17 1qx5 h GLU 6 N -0.88 0.66 -0.31 3.99 4.57 -1.99 -1.13 114.58 119.48 1qx5 h GLU 6 Ca -0.44 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 57.48 1qx5 h GLU 6 Cb 1.29 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1qx5 h GLU 6 CO 0.54 0.77 0.03 1.05 -1.18 0.00 0.00 179.01 180.22 1qx5 h GLU 7 N 0.59 0.53 0.70 1.92 4.11 -1.99 -2.21 114.58 118.23 1qx5 h GLU 7 Ca 0.10 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 1qx5 h GLU 7 Cb 0.59 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1qx5 h GLU 7 CO 0.04 0.64 -0.34 1.96 0.07 0.00 0.00 179.01 181.38 1qx5 h GLN 8 N 0.34 -0.91 -1.12 1.06 4.20 -1.88 -2.10 115.11 114.71 1qx5 h GLN 8 Ca 0.09 0.06 0.31 0.00 0.06 0.00 0.00 58.65 59.18 1qx5 h GLN 8 Cb 0.38 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 28.27 1qx5 h GLN 8 CO 0.01 -0.59 0.73 0.82 -0.67 0.00 0.00 178.83 179.12 1qx5 h ILE 9 N -0.99 0.42 -0.42 2.54 2.04 -1.21 0.44 117.51 120.32 1qx5 h ILE 9 Ca -0.10 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1qx5 h ILE 9 Cb 0.74 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1qx5 h ILE 9 CO 0.16 0.05 -0.19 0.00 0.00 0.00 0.00 178.15 178.17 1qx5 h ALA 10 N 1.60 0.88 -0.16 1.87 0.00 -0.91 0.01 119.26 122.54 1qx5 h ALA 10 Ca 0.64 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1qx5 h ALA 10 Cb 1.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1qx5 h ALA 10 CO -0.30 0.63 -0.41 1.49 0.00 0.00 0.00 179.25 180.66 1qx5 h GLU 11 N 0.72 0.57 -0.18 0.00 4.22 0.45 0.16 114.58 120.51 1qx5 h GLU 11 Ca 0.11 -0.39 -0.01 0.00 0.08 0.00 0.00 59.36 59.15 1qx5 h GLU 11 Cb 0.70 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1qx5 h GLU 11 CO 0.05 1.01 0.09 0.74 -2.18 0.00 0.00 179.01 178.72 1qx5 h PHE 12 N 0.22 0.27 -0.90 0.92 0.04 -1.09 -1.49 116.94 114.90 1qx5 h PHE 12 Ca -0.01 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1qx5 h PHE 12 Cb 1.03 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 1qx5 h PHE 12 CO 0.10 0.29 0.51 -0.22 -0.60 0.00 0.00 178.31 178.38 1qx5 h LYS 13 N 0.17 1.25 0.60 1.51 3.11 -0.87 -0.38 116.57 121.96 1qx5 h LYS 13 Ca 0.06 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 1qx5 h LYS 13 Cb 0.12 -0.25 0.01 0.00 -1.00 0.00 0.00 32.23 31.11 1qx5 h LYS 13 CO -0.01 0.90 -0.29 1.49 -2.81 0.00 0.00 179.45 178.74 1qx5 h GLU 14 N 1.26 -0.78 -0.00 1.90 4.81 -0.39 -1.94 114.58 119.44 1qx5 h GLU 14 Ca 0.32 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1qx5 h GLU 14 Cb 0.01 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1qx5 h GLU 14 CO -0.05 -0.48 -0.08 0.00 -0.73 0.00 0.00 179.01 177.67 1qx5 h ALA 15 N -0.56 -0.08 -0.76 2.92 0.00 -1.21 -1.20 119.26 118.37 1qx5 h ALA 15 Ca -0.08 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1qx5 h ALA 15 Cb 0.65 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1qx5 h ALA 15 CO 0.14 -0.57 0.50 0.35 0.00 0.00 0.00 179.25 179.67 1qx5 h PHE 16 N -0.13 0.85 0.00 0.00 3.57 -1.08 -1.08 116.94 119.07 1qx5 h PHE 16 Ca 0.03 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1qx5 h PHE 16 Cb 0.17 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1qx5 h PHE 16 CO -0.15 0.47 -0.23 1.03 -2.23 0.00 0.00 178.31 177.20 1qx5 h SER 17 N 0.86 0.00 -0.67 0.41 0.87 -0.91 -3.20 113.55 110.91 1qx5 h SER 17 Ca 0.32 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 1qx5 h SER 17 Cb 0.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1qx5 h SER 17 CO -0.10 0.23 0.26 0.25 -0.53 0.00 0.00 176.83 176.95 1qx5 h LEU 18 N 0.00 0.92 -4.40 2.23 6.46 0.04 -2.75 115.31 117.81 1qx5 h LEU 18 Ca -0.00 -0.17 -0.71 0.00 -0.12 0.00 0.00 57.88 56.88 1qx5 h LEU 18 Cb 0.87 -0.24 -0.29 0.00 -0.73 0.00 0.00 40.66 40.26 1qx5 h LEU 18 CO 0.03 0.85 0.81 0.49 -0.62 0.00 0.00 178.44 180.00 1qx5 n PHE 19 N -4.39 3.12 -3.39 1.25 3.01 -1.21 -4.60 117.46 111.25 1qx5 n PHE 19 Ca 0.05 -2.72 -0.27 0.00 1.01 0.00 0.00 57.45 55.52 1qx5 n PHE 19 Cb 0.18 -1.25 -0.10 0.00 -0.01 0.00 0.00 39.48 38.30 1qx5 n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1qx5 n ASP 20 N -0.74 -0.35 0.07 4.37 4.64 -1.04 -4.84 116.55 118.66 1qx5 n ASP 20 Ca 0.58 -2.42 -0.12 0.00 -1.38 0.00 0.00 54.79 51.45 1qx5 n ASP 20 Cb 0.51 -0.56 -0.05 0.00 -1.04 0.00 0.00 41.12 39.97 1qx5 n ASP 20 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1qx5 h LYS 21 N 5.50 -0.21 0.00 -0.67 3.11 -1.82 -1.28 116.57 121.20 1qx5 h LYS 21 Ca 0.25 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 1qx5 h LYS 21 Cb 0.90 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1qx5 h LYS 21 CO 0.39 -0.14 0.00 -0.40 -2.81 0.00 0.00 179.45 176.49 1qx5 n ASP 22 N -5.24 0.15 -1.69 4.20 5.75 -1.26 -4.82 116.55 113.64 1qx5 n ASP 22 Ca -0.06 0.56 -0.11 0.00 -0.01 0.00 0.00 54.79 55.16 1qx5 n ASP 22 Cb 0.16 -0.58 -0.04 0.00 -1.03 0.00 0.00 41.12 39.63 1qx5 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qx5 n GLY 23 N -1.10 0.58 0.00 6.12 0.00 -0.48 -4.80 105.19 105.51 1qx5 n GLY 23 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.78 0.00 0.00 1.61 3.85 -1.26 -4.84 116.55 115.13 1qx5 n ASP 24 Ca -0.12 -0.45 0.00 0.00 -0.71 0.00 0.00 54.79 53.51 1qx5 n ASP 24 Cb 0.45 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 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 0.73 0.54 3.23 6.12 0.00 -1.26 -5.04 105.19 109.51 1qx5 n GLY 25 Ca 0.16 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1qx5 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qx5 s THR 26 N -2.00 0.03 0.24 2.61 2.01 -1.26 -2.37 115.64 114.89 1qx5 s THR 26 Ca 0.00 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1qx5 s THR 26 Cb 0.00 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1qx5 s THR 26 CO 0.00 -0.15 -0.08 0.27 -0.69 0.00 0.00 174.62 173.97 1qx5 s ILE 27 N -0.67 1.54 0.40 1.82 -4.36 -1.19 -4.84 121.20 113.90 1qx5 s ILE 27 Ca -0.08 -2.14 -0.23 0.00 -0.26 0.00 0.00 60.65 57.94 1qx5 s ILE 27 Cb -0.04 -2.25 -0.10 0.00 1.25 0.00 0.00 42.46 41.33 1qx5 s ILE 27 CO 0.03 -0.44 1.00 0.42 0.24 0.00 0.00 174.94 176.19 1qx5 s THR 28 N -3.09 3.99 -0.31 8.37 -4.23 -1.26 -2.32 115.64 116.79 1qx5 s THR 28 Ca 0.26 1.46 0.10 0.00 -1.18 0.00 0.00 61.69 62.33 1qx5 s THR 28 Cb 0.02 -3.72 0.10 0.00 1.34 0.00 0.00 72.50 70.24 1qx5 s THR 28 CO 0.09 -0.05 1.22 0.35 -0.54 0.00 0.00 174.62 175.69 1qx5 n THR 29 N -0.12 1.03 0.11 3.99 -2.24 -1.22 -0.89 114.28 114.94 1qx5 n THR 29 Ca 0.05 0.65 -0.19 0.00 -2.27 0.00 0.00 64.05 62.29 1qx5 n THR 29 Cb 0.51 -1.65 -0.13 0.00 -2.10 0.00 0.00 70.33 66.96 1qx5 n THR 29 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qx5 h LYS 30 N 0.00 0.43 0.00 -0.78 1.57 -1.90 -3.30 116.57 112.58 1qx5 h LYS 30 Ca 0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1qx5 h LYS 30 Cb 0.34 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1qx5 h LYS 30 CO 0.00 1.29 -0.12 -0.85 -0.57 0.00 0.00 179.45 179.20 1qx5 n GLU 31 N -3.66 0.21 -0.29 3.15 0.28 -0.07 -3.87 120.64 116.40 1qx5 n GLU 31 Ca -0.11 0.15 0.18 0.00 -0.16 0.00 0.00 57.16 57.21 1qx5 n GLU 31 Cb 1.01 -1.72 0.46 0.00 1.43 0.00 0.00 31.44 32.61 1qx5 n GLU 31 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1qx5 h LEU 32 N 0.00 0.52 -0.60 -1.84 5.85 -1.62 0.16 115.31 117.78 1qx5 h LEU 32 Ca 0.00 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 1qx5 h LEU 32 Cb 0.69 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1qx5 h LEU 32 CO 0.00 0.19 -0.68 1.23 -0.34 0.00 0.00 178.44 178.84 1qx5 h GLY 33 N 0.51 0.13 0.84 3.75 0.00 -1.82 -1.67 103.07 104.81 1qx5 h GLY 33 Ca 0.52 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1qx5 h GLY 33 CO -0.25 0.16 -0.40 -0.84 0.00 0.00 0.00 176.54 175.21 1qx5 h THR 34 N 0.08 0.00 -0.51 4.70 2.02 -0.93 -1.27 112.91 116.99 1qx5 h THR 34 Ca -0.01 -0.12 0.09 0.00 0.77 0.00 0.00 66.41 67.14 1qx5 h THR 34 Cb 1.21 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.51 1qx5 h THR 34 CO 0.10 0.00 -0.37 0.58 0.37 0.00 0.00 175.52 176.20 1qx5 h VAL 35 N -1.25 0.16 -0.74 3.16 2.07 -1.40 0.32 116.25 118.57 1qx5 h VAL 35 Ca -0.12 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.55 1qx5 h VAL 35 Cb 0.86 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 1qx5 h VAL 35 CO 0.19 0.00 0.27 0.24 0.02 0.00 0.00 177.57 178.28 1qx5 h MET 36 N -0.22 0.38 -0.28 1.57 2.86 -1.26 -1.59 114.93 116.37 1qx5 h MET 36 Ca 0.19 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1qx5 h MET 36 Cb 0.56 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1qx5 h MET 36 CO -0.63 0.25 -0.34 0.00 1.06 0.00 0.00 176.91 177.25 1qx5 h ARG 37 N 0.39 0.73 -0.21 1.72 3.08 0.44 -1.43 114.38 119.10 1qx5 h ARG 37 Ca 0.41 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1qx5 h ARG 37 Cb 0.65 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1qx5 h ARG 37 CO -0.43 1.03 0.24 0.66 -1.07 0.00 0.00 179.97 180.40 1qx5 h SER 38 N 0.47 0.00 -0.15 7.04 4.64 0.14 0.51 113.55 126.21 1qx5 h SER 38 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1qx5 h SER 38 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1qx5 h SER 38 CO 0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 1qx5 n LEU 39 N -3.72 1.86 0.00 5.97 4.77 -0.66 -4.94 117.00 120.28 1qx5 n LEU 39 Ca 0.02 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1qx5 n LEU 39 Cb 0.37 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1qx5 n LEU 39 CO 0.26 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1qx5 n GLY 40 N 1.19 0.55 3.75 -0.72 0.00 0.18 -4.99 105.19 105.15 1qx5 n GLY 40 Ca 0.17 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.30 3.19 -0.58 1.61 1.11 -0.57 -4.18 119.66 118.95 1qx5 s GLN 41 Ca 0.00 -0.30 0.02 0.00 0.01 0.00 0.00 55.36 55.09 1qx5 s GLN 41 Cb 0.00 -2.96 0.15 0.00 -1.01 0.00 0.00 33.01 29.19 1qx5 s GLN 41 CO 0.00 0.72 0.35 0.54 0.01 0.00 0.00 175.29 176.90 1qx5 s ASN 42 N -0.89 4.66 0.15 5.90 6.03 -1.26 -3.22 114.94 126.31 1qx5 s ASN 42 Ca 0.13 -3.09 -0.30 0.00 -1.03 0.00 0.00 52.86 48.57 1qx5 s ASN 42 Cb -0.12 -1.70 -0.07 0.00 -3.03 0.00 0.00 41.25 36.33 1qx5 s ASN 42 CO 0.03 -0.25 1.09 -2.84 -2.03 0.00 0.00 177.10 173.10 1qx5 s PRO 43 N -0.40 4.59 0.29 3.55 0.02 -1.26 -5.03 135.00 136.76 1qx5 s PRO 43 Ca 0.18 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 62.60 1qx5 s PRO 43 Cb -0.22 -3.30 -0.09 0.00 0.02 0.00 0.00 34.50 30.91 1qx5 s PRO 43 CO -0.03 0.05 1.07 0.99 -0.33 0.00 0.00 177.00 178.75 1qx5 s THR 44 N -0.05 3.59 0.36 0.99 2.01 -1.26 -4.82 115.64 116.46 1qx5 s THR 44 Ca 0.50 1.55 0.22 0.00 0.31 0.00 0.00 61.69 64.27 1qx5 s THR 44 Cb -0.29 -3.97 0.36 0.00 0.01 0.00 0.00 72.50 68.62 1qx5 s THR 44 CO 0.34 0.33 1.48 -0.62 -0.69 0.00 0.00 174.62 175.45 1qx5 n GLU 45 N 1.06 -0.05 -0.01 4.92 -0.58 -1.26 0.11 120.64 124.83 1qx5 n GLU 45 Ca -0.00 1.27 -0.13 0.00 -0.42 0.00 0.00 57.16 57.88 1qx5 n GLU 45 Cb 0.46 -2.32 -0.10 0.00 -0.57 0.00 0.00 31.44 28.90 1qx5 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qx5 h ALA 46 N 1.80 0.01 -0.72 0.62 0.00 -2.00 -2.42 119.26 116.54 1qx5 h ALA 46 Ca 0.80 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1qx5 h ALA 46 Cb 2.23 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.97 1qx5 h ALA 46 CO -0.66 -0.25 0.48 0.93 0.00 0.00 0.00 179.25 179.75 1qx5 h GLU 47 N -0.46 0.62 0.26 0.00 5.08 0.42 -1.49 114.58 119.00 1qx5 h GLU 47 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1qx5 h GLU 47 Cb 0.49 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1qx5 h GLU 47 CO 0.00 0.41 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.22 1qx5 h LEU 48 N 0.63 -0.30 -1.27 1.33 3.38 -1.01 -2.35 115.31 115.72 1qx5 h LEU 48 Ca 0.33 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1qx5 h LEU 48 Cb 0.45 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1qx5 h LEU 48 CO -0.11 -0.04 0.54 1.56 0.09 0.00 0.00 178.44 180.47 1qx5 h GLN 49 N -0.56 0.82 -0.02 1.13 1.08 -0.90 -1.01 115.11 115.66 1qx5 h GLN 49 Ca -0.04 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1qx5 h GLN 49 Cb 0.41 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1qx5 h GLN 49 CO 0.06 0.54 0.01 -0.44 -0.95 0.00 0.00 178.83 178.05 1qx5 h ASP 50 N 0.85 0.03 -0.38 1.46 5.19 -1.18 -0.07 116.42 122.31 1qx5 h ASP 50 Ca 0.37 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.72 1qx5 h ASP 50 Cb 0.32 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1qx5 h ASP 50 CO -0.14 0.09 0.21 0.24 -3.12 0.00 0.00 179.24 176.53 1qx5 h MET 51 N -0.04 0.42 0.00 3.56 2.86 -0.83 0.30 114.93 121.20 1qx5 h MET 51 Ca 0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1qx5 h MET 51 Cb 0.07 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1qx5 h MET 51 CO -0.00 0.28 -0.08 0.82 1.06 0.00 0.00 176.91 178.99 1qx5 h ILE 52 N 0.43 0.88 0.15 -1.22 2.04 -1.02 -2.53 117.51 116.24 1qx5 h ILE 52 Ca 0.15 -0.28 -0.25 0.00 1.00 0.00 0.00 64.86 65.48 1qx5 h ILE 52 Cb 0.02 1.16 0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1qx5 h ILE 52 CO -0.08 0.08 -1.07 0.78 0.00 0.00 0.00 178.15 177.86 1qx5 h ASN 53 N 0.00 0.68 -0.25 1.72 4.21 0.35 -2.39 115.58 119.90 1qx5 h ASN 53 Ca -0.00 -0.89 0.05 0.00 1.21 0.00 0.00 56.30 56.68 1qx5 h ASN 53 Cb 0.15 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.08 1qx5 h ASN 53 CO 0.01 1.51 -0.11 -0.08 -1.29 0.00 0.00 177.43 177.47 1qx5 h GLU 54 N -0.04 -0.07 0.00 0.81 4.81 -0.09 -3.36 114.58 116.65 1qx5 h GLU 54 Ca -0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1qx5 h GLU 54 Cb 1.81 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1qx5 h GLU 54 CO 0.20 -0.05 0.00 0.28 -0.73 0.00 0.00 179.01 178.72 1qx5 n VAL 55 N -5.27 0.00 -1.53 0.32 0.31 -0.99 -4.67 118.33 106.50 1qx5 n VAL 55 Ca -0.01 0.20 -0.37 0.00 -0.01 0.00 0.00 64.34 64.15 1qx5 n VAL 55 Cb 0.19 -0.41 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 1qx5 n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1qx5 n ASP 56 N -0.41 1.60 -0.91 4.52 4.64 -0.90 -4.72 116.55 120.37 1qx5 n ASP 56 Ca 0.00 -0.33 0.12 0.00 -1.38 0.00 0.00 54.79 53.19 1qx5 n ASP 56 Cb 0.00 -1.36 0.09 0.00 -1.04 0.00 0.00 41.12 38.81 1qx5 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1qx5 n ALA 57 N 14.18 2.52 0.09 -1.67 0.00 -1.26 -4.26 120.51 130.10 1qx5 n ALA 57 Ca 0.47 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 53.24 1qx5 n ALA 57 Cb 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.24 0.71 -2.61 0.00 5.75 -1.26 -5.02 116.55 115.36 1qx5 n ASP 58 Ca 0.13 -0.86 -0.20 0.00 -0.01 0.00 0.00 54.79 53.85 1qx5 n ASP 58 Cb 0.58 0.43 0.02 0.00 -1.03 0.00 0.00 41.12 41.11 1qx5 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qx5 n GLY 59 N 0.51 -0.44 0.47 6.12 0.00 -1.26 -4.87 105.19 105.73 1qx5 n GLY 59 Ca 0.01 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.05 1.39 -3.14 1.61 4.05 -1.26 -4.93 115.26 110.92 1qx5 n ASN 60 Ca -0.15 -1.86 -0.15 0.00 0.45 0.00 0.00 54.58 52.88 1qx5 n ASN 60 Cb 0.64 -0.14 0.07 0.00 1.23 0.00 0.00 39.78 41.58 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 0.98 -0.55 3.27 8.20 0.00 -1.26 -5.02 105.19 110.80 1qx5 n GLY 61 Ca 0.12 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.33 0.09 -0.26 2.61 -4.23 -1.26 -3.43 115.64 105.82 1qx5 s THR 62 Ca 0.17 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1qx5 s THR 62 Cb -0.02 -1.07 0.14 0.00 1.34 0.00 0.00 72.50 72.89 1qx5 s THR 62 CO 0.66 -0.40 0.37 -0.51 -0.54 0.00 0.00 174.62 174.20 1qx5 s ILE 63 N -3.08 -0.57 0.44 2.99 2.07 -0.98 -4.24 121.20 117.83 1qx5 s ILE 63 Ca -0.01 -0.17 -0.24 0.00 -1.41 0.00 0.00 60.65 58.82 1qx5 s ILE 63 Cb 0.01 -0.86 -0.08 0.00 0.13 0.00 0.00 42.46 41.66 1qx5 s ILE 63 CO -0.07 -0.20 1.17 -1.81 -1.91 0.00 0.00 174.94 172.12 1qx5 s ASP 64 N 2.51 6.30 0.28 4.50 -0.00 -1.26 -3.15 116.67 125.86 1qx5 s ASP 64 Ca 0.11 2.34 0.01 0.00 -0.00 0.00 0.00 52.55 55.01 1qx5 s ASP 64 Cb -0.15 -2.61 0.56 0.00 -0.00 0.00 0.00 42.92 40.73 1qx5 s ASP 64 CO -0.21 -0.83 1.83 0.15 -0.00 0.00 0.00 175.17 176.12 1qx5 h PHE 65 N 2.29 1.15 -0.31 4.23 3.57 -1.88 -0.40 116.94 125.59 1qx5 h PHE 65 Ca -0.49 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.10 1qx5 h PHE 65 Cb 1.24 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1qx5 h PHE 65 CO 0.54 0.44 -0.00 -1.35 -2.23 0.00 0.00 178.31 175.71 1qx5 h PRO 66 N 0.99 0.08 -0.60 6.41 0.11 -1.92 0.68 132.00 137.76 1qx5 h PRO 66 Ca 0.50 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.57 1qx5 h PRO 66 Cb 0.51 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1qx5 h PRO 66 CO -0.27 0.05 0.23 0.93 -0.21 0.00 0.00 178.00 178.73 1qx5 h GLU 67 N 0.09 0.90 -0.56 1.05 5.08 -1.66 -2.63 114.58 116.85 1qx5 h GLU 67 Ca 0.15 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1qx5 h GLU 67 Cb 0.20 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1qx5 h GLU 67 CO -0.25 0.78 0.30 0.35 -1.00 0.00 0.00 179.01 179.19 1qx5 h PHE 68 N 0.83 0.77 0.18 4.33 3.57 -0.58 -2.73 116.94 123.31 1qx5 h PHE 68 Ca 0.20 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1qx5 h PHE 68 Cb 0.22 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1qx5 h PHE 68 CO 0.01 0.57 -0.09 1.25 -2.23 0.00 0.00 178.31 177.83 1qx5 h LEU 69 N 0.75 -0.20 -1.04 0.59 7.12 0.56 -1.08 115.31 122.02 1qx5 h LEU 69 Ca 0.20 -0.12 0.10 0.00 0.13 0.00 0.00 57.88 58.18 1qx5 h LEU 69 Cb 0.06 0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.17 1qx5 h LEU 69 CO -0.03 0.00 0.63 0.71 -0.13 0.00 0.00 178.44 179.63 1qx5 h THR 70 N -0.40 0.98 0.02 1.05 1.35 -1.51 0.49 112.91 114.89 1qx5 h THR 70 Ca -0.02 -0.36 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1qx5 h THR 70 Cb 0.31 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.58 1qx5 h THR 70 CO 0.04 0.19 -0.01 -0.03 -0.25 0.00 0.00 175.52 175.46 1qx5 h MET 71 N 1.04 -0.03 -0.48 4.72 1.85 -1.37 -2.80 114.93 117.87 1qx5 h MET 71 Ca 0.47 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.59 1qx5 h MET 71 Cb 0.37 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 1qx5 h MET 71 CO -0.22 0.16 0.32 0.52 -0.40 0.00 0.00 176.91 177.29 1qx5 h MET 72 N -0.21 0.50 -0.95 0.39 2.07 -0.17 -1.20 114.93 115.34 1qx5 h MET 72 Ca -0.00 -0.03 0.06 0.00 -2.07 0.00 0.00 59.70 57.66 1qx5 h MET 72 Cb 0.20 -0.11 -0.06 0.00 -1.87 0.00 0.00 31.60 29.76 1qx5 h MET 72 CO 0.00 0.33 0.61 0.00 1.07 0.00 0.00 176.91 178.92 1qx5 h ALA 73 N 1.73 1.31 -0.11 6.32 0.00 -0.68 -1.83 119.26 125.99 1qx5 h ALA 73 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1qx5 h ALA 73 Cb 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1qx5 h ALA 73 CO -0.05 0.40 -0.11 0.00 0.00 0.00 0.00 179.25 179.49 1qx5 h ARG 74 N 1.12 0.27 0.00 0.00 3.08 -1.12 -3.12 114.38 114.61 1qx5 h ARG 74 Ca 0.41 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1qx5 h ARG 74 Cb 0.14 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1qx5 h ARG 74 CO -0.16 0.68 0.00 1.63 -1.07 0.00 0.00 179.97 181.05 1qx5 n LYS 75 N -4.62 0.62 -0.12 0.04 5.02 -0.73 -3.66 118.16 114.70 1qx5 n LYS 75 Ca -0.07 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.03 1qx5 n LYS 75 Cb 0.34 -1.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 1qx5 n LYS 75 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1qx5 n MET 76 N -0.75 0.59 -0.34 1.97 2.81 -0.73 -4.46 117.12 116.21 1qx5 n MET 76 Ca 0.07 0.17 0.26 0.00 -1.81 0.00 0.00 57.70 56.39 1qx5 n MET 76 Cb 0.03 -1.47 0.56 0.00 -0.71 0.00 0.00 33.22 31.64 1qx5 n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1qx5 h LYS 77 N -0.25 0.29 -2.54 0.03 1.63 -1.64 -2.09 116.57 111.99 1qx5 h LYS 77 Ca -0.57 -0.02 -0.71 0.00 -0.85 0.00 0.00 60.65 58.50 1qx5 h LYS 77 Cb 1.77 -0.07 -0.35 0.00 -0.60 0.00 0.00 32.23 32.98 1qx5 h LYS 77 CO -0.17 0.19 0.11 -0.40 -3.45 0.00 0.00 179.45 175.73 1qx5 n ASP 78 N -4.59 5.15 -3.54 4.20 3.85 -1.26 -4.97 116.55 115.39 1qx5 n ASP 78 Ca 0.27 -3.44 -0.15 0.00 -0.71 0.00 0.00 54.79 50.76 1qx5 n ASP 78 Cb 1.01 -0.97 -0.05 0.00 -1.35 0.00 0.00 41.12 39.75 1qx5 n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1qx5 s THR 79 N -2.72 0.00 0.31 2.12 2.01 -0.79 -5.03 115.64 111.55 1qx5 s THR 79 Ca 0.36 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.40 1qx5 s THR 79 Cb 0.10 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 1qx5 s THR 79 CO 0.04 0.00 0.03 1.51 -0.69 0.00 0.00 174.62 175.51 1qx5 s ASP 80 N -1.22 2.45 0.42 3.53 -4.77 -1.26 -5.02 116.67 110.81 1qx5 s ASP 80 Ca -0.07 -1.33 0.29 0.00 -3.30 0.00 0.00 52.55 48.14 1qx5 s ASP 80 Cb -0.00 -0.10 1.12 0.00 -1.09 0.00 0.00 42.92 42.84 1qx5 s ASP 80 CO 0.06 -0.54 1.85 0.77 0.70 0.00 0.00 175.17 178.00 1qx5 h SER 81 N 2.16 0.00 -0.30 2.11 4.64 -2.00 -3.03 113.55 117.14 1qx5 h SER 81 Ca -0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1qx5 h SER 81 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1qx5 h SER 81 CO 0.69 0.00 0.10 -0.08 -0.87 0.00 0.00 176.83 176.67 1qx5 h GLU 82 N 0.00 0.45 0.59 4.77 4.81 -1.99 -2.08 114.58 121.13 1qx5 h GLU 82 Ca 0.00 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1qx5 h GLU 82 Cb 0.52 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1qx5 h GLU 82 CO 0.00 0.50 -0.36 1.49 -0.73 0.00 0.00 179.01 179.90 1qx5 h GLU 83 N 0.32 -0.87 -0.01 1.92 4.81 -1.93 -0.43 114.58 118.39 1qx5 h GLU 83 Ca 0.10 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1qx5 h GLU 83 Cb 0.23 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1qx5 h GLU 83 CO -0.00 -0.58 0.01 1.05 -0.73 0.00 0.00 179.01 178.76 1qx5 h GLU 84 N -0.90 0.00 0.05 1.92 4.11 -1.62 -1.68 114.58 116.46 1qx5 h GLU 84 Ca -0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 1qx5 h GLU 84 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1qx5 h GLU 84 CO 0.07 0.00 -0.02 0.82 0.07 0.00 0.00 179.01 179.95 1qx5 h ILE 85 N 0.00 1.30 -0.76 -1.06 2.04 -1.02 -2.41 117.51 115.59 1qx5 h ILE 85 Ca 0.00 -1.30 0.09 0.00 1.00 0.00 0.00 64.86 64.66 1qx5 h ILE 85 Cb 0.03 2.13 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1qx5 h ILE 85 CO -0.00 0.32 0.41 -0.09 0.00 0.00 0.00 178.15 178.79 1qx5 h ARG 86 N -0.66 0.67 -0.42 2.37 2.43 -0.38 -1.85 114.38 116.54 1qx5 h ARG 86 Ca -0.01 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1qx5 h ARG 86 Cb 0.57 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1qx5 h ARG 86 CO 0.01 0.44 0.26 0.93 -1.51 0.00 0.00 179.97 180.10 1qx5 h GLU 87 N 0.69 0.52 -0.65 0.20 4.39 -1.30 0.20 114.58 118.62 1qx5 h GLU 87 Ca 0.37 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.17 1qx5 h GLU 87 Cb 0.37 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 1qx5 h GLU 87 CO -0.26 0.34 0.15 0.00 -1.16 0.00 0.00 179.01 178.08 1qx5 h ALA 88 N 1.17 0.79 -0.30 3.43 0.00 -0.82 -1.51 119.26 122.01 1qx5 h ALA 88 Ca 0.16 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1qx5 h ALA 88 Cb -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qx5 h ALA 88 CO -0.05 -0.31 -0.12 0.74 0.00 0.00 0.00 179.25 179.50 1qx5 h PHE 89 N 0.27 0.71 -0.86 0.00 0.04 -0.85 -2.81 116.94 113.45 1qx5 h PHE 89 Ca 0.35 -0.17 0.22 0.00 2.80 0.00 0.00 57.97 61.17 1qx5 h PHE 89 Cb 0.54 -0.17 -0.14 0.00 2.20 0.00 0.00 35.95 38.39 1qx5 h PHE 89 CO -0.25 0.84 0.23 0.00 -0.60 0.00 0.00 178.31 178.52 1qx5 h ARG 90 N 0.38 0.22 -1.03 1.51 -0.00 0.12 0.34 114.38 115.92 1qx5 h ARG 90 Ca 0.07 -0.01 0.27 0.00 -0.50 0.00 0.00 59.98 59.80 1qx5 h ARG 90 Cb 0.64 -0.05 -0.12 0.00 0.00 0.00 0.00 29.97 30.44 1qx5 h ARG 90 CO 0.04 0.15 0.63 0.28 0.00 0.00 0.00 179.97 181.06 1qx5 h VAL 91 N 0.23 0.49 0.00 2.04 2.07 -1.02 1.24 116.25 121.30 1qx5 h VAL 91 Ca 0.53 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1qx5 h VAL 91 Cb 1.04 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1qx5 h VAL 91 CO -0.63 0.09 0.00 -0.26 0.02 0.00 0.00 177.57 176.79 1qx5 h PHE 92 N 0.48 0.00 -1.46 1.57 -1.00 -0.46 -3.40 116.94 112.67 1qx5 h PHE 92 Ca 0.64 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.80 1qx5 h PHE 92 Cb 1.41 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.85 1qx5 h PHE 92 CO -0.01 0.00 1.33 0.34 -1.61 0.00 0.00 178.31 178.36 1qx5 s ASP 93 N -4.83 6.54 0.00 2.17 -1.08 0.43 -4.61 116.67 115.29 1qx5 s ASP 93 Ca 0.08 -1.62 -0.24 0.00 -0.52 0.00 0.00 52.55 50.24 1qx5 s ASP 93 Cb 0.10 -2.52 -0.16 0.00 -1.46 0.00 0.00 42.92 38.88 1qx5 s ASP 93 CO 0.55 -1.38 1.15 0.11 0.52 0.00 0.00 175.17 176.11 1qx5 h LYS 94 N 9.51 -0.45 -0.09 4.34 6.56 -1.79 -3.21 116.57 131.43 1qx5 h LYS 94 Ca 0.19 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1qx5 h LYS 94 Cb 1.01 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1qx5 h LYS 94 CO 1.34 -0.13 0.00 -0.40 -2.06 0.00 0.00 179.45 178.20 1qx5 n ASP 95 N -5.14 0.68 -1.94 0.86 3.85 -1.26 -4.92 116.55 108.68 1qx5 n ASP 95 Ca -0.09 -1.70 -0.17 0.00 -0.71 0.00 0.00 54.79 52.11 1qx5 n ASP 95 Cb 0.27 -0.06 -0.01 0.00 -1.35 0.00 0.00 41.12 39.98 1qx5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qx5 n GLY 96 N 0.85 -0.33 1.00 6.12 0.00 -1.21 -4.92 105.19 106.69 1qx5 n GLY 96 Ca 0.11 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.24 2.99 0.00 1.61 0.23 -1.26 -4.94 115.26 112.65 1qx5 n ASN 97 Ca -0.20 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 51.93 1qx5 n ASN 97 Cb 0.65 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1qx5 n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qx5 n GLY 98 N 1.41 1.04 3.63 4.83 0.00 -1.26 -5.04 105.19 109.80 1qx5 n GLY 98 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.44 2.90 0.30 1.61 1.51 -1.26 -5.08 117.35 114.89 1qx5 s TYR 99 Ca 0.00 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1qx5 s TYR 99 Cb 0.00 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 1qx5 s TYR 99 CO 0.00 0.44 0.09 0.96 -1.11 0.00 0.00 175.55 175.93 1qx5 s ILE 100 N -1.19 0.76 -0.48 2.71 -4.36 -1.26 -4.57 121.20 112.81 1qx5 s ILE 100 Ca 0.22 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.40 1qx5 s ILE 100 Cb -0.11 -2.66 0.04 0.00 1.25 0.00 0.00 42.46 40.98 1qx5 s ILE 100 CO 0.14 0.00 0.69 -0.55 0.24 0.00 0.00 174.94 175.46 1qx5 s SER 101 N -3.40 6.29 0.32 4.36 0.15 -1.26 -4.93 113.70 115.22 1qx5 s SER 101 Ca 0.36 -0.56 0.07 0.00 0.70 0.00 0.00 55.95 56.52 1qx5 s SER 101 Cb 0.08 -2.33 0.75 0.00 -1.71 0.00 0.00 66.02 62.81 1qx5 s SER 101 CO 0.15 -0.90 1.82 0.00 1.20 0.00 0.00 173.24 175.51 1qx5 h ALA 102 N 9.00 1.74 -0.34 5.45 0.00 -2.00 0.15 119.26 133.26 1qx5 h ALA 102 Ca -0.26 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qx5 h ALA 102 Cb 1.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1qx5 h ALA 102 CO 0.95 -0.05 0.16 0.00 0.00 0.00 0.00 179.25 180.32 1qx5 h ALA 103 N 1.61 0.44 -0.29 0.00 0.00 -1.99 -0.84 119.26 118.18 1qx5 h ALA 103 Ca 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1qx5 h ALA 103 Cb 0.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1qx5 h ALA 103 CO -0.29 0.01 0.03 0.93 0.00 0.00 0.00 179.25 179.93 1qx5 h GLU 104 N 0.41 0.49 -0.02 0.00 5.08 -1.57 0.46 114.58 119.43 1qx5 h GLU 104 Ca 0.12 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1qx5 h GLU 104 Cb 0.13 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1qx5 h GLU 104 CO -0.01 0.61 -0.22 1.25 -1.00 0.00 0.00 179.01 179.64 1qx5 h LEU 105 N 0.30 -0.65 0.36 1.33 5.85 -0.64 0.01 115.31 121.87 1qx5 h LEU 105 Ca 0.09 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1qx5 h LEU 105 Cb 0.37 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1qx5 h LEU 105 CO 0.01 -0.28 -0.18 -0.09 -0.34 0.00 0.00 178.44 177.55 1qx5 h ARG 106 N -0.34 -0.48 -0.25 1.25 2.43 -1.12 -1.27 114.38 114.60 1qx5 h ARG 106 Ca 0.07 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1qx5 h ARG 106 Cb 0.43 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 1qx5 h ARG 106 CO -0.21 -0.32 -0.16 1.25 -1.51 0.00 0.00 179.97 179.02 1qx5 h HIS 107 N -0.49 -0.40 0.00 2.20 2.76 -0.62 0.32 115.15 118.93 1qx5 h HIS 107 Ca -0.05 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1qx5 h HIS 107 Cb 0.38 0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1qx5 h HIS 107 CO -0.06 -0.23 -0.00 0.28 -1.30 0.00 0.00 177.93 176.62 1qx5 h VAL 108 N -0.14 1.12 0.48 5.26 2.07 -0.99 -2.12 116.25 121.93 1qx5 h VAL 108 Ca 0.14 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1qx5 h VAL 108 Cb 0.35 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1qx5 h VAL 108 CO -0.34 0.10 -0.23 0.24 0.02 0.00 0.00 177.57 177.36 1qx5 h MET 109 N -0.16 -0.62 0.02 1.57 2.86 -0.94 0.46 114.93 118.12 1qx5 h MET 109 Ca -0.00 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1qx5 h MET 109 Cb 0.16 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1qx5 h MET 109 CO 0.00 -0.41 -0.01 1.79 1.06 0.00 0.00 176.91 179.34 1qx5 h THR 110 N -0.77 1.41 0.10 2.22 1.35 -1.09 -2.44 112.91 113.68 1qx5 h THR 110 Ca -0.07 -1.33 -0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1qx5 h THR 110 Cb 0.49 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1qx5 h THR 110 CO 0.11 0.34 -0.05 -1.13 -0.25 0.00 0.00 175.52 174.54 1qx5 h ASN 111 N -0.60 -0.11 -0.80 5.36 -1.24 -1.45 -2.87 115.58 113.87 1qx5 h ASN 111 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1qx5 h ASN 111 Cb 0.57 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.62 1qx5 h ASN 111 CO 0.00 -0.01 0.43 0.25 -1.29 0.00 0.00 177.43 176.80 1qx5 h LEU 112 N -0.26 1.01 -2.23 0.34 5.85 -1.20 -2.29 115.31 116.53 1qx5 h LEU 112 Ca -0.01 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1qx5 h LEU 112 Cb 0.10 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1qx5 h LEU 112 CO 0.02 0.82 -0.03 1.23 -0.34 0.00 0.00 178.44 180.15 1qx5 h GLY 113 N 1.11 0.00 0.22 3.75 0.00 -0.39 -2.89 103.07 104.87 1qx5 h GLY 113 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1qx5 h GLY 113 CO -0.04 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 174.30 1qx5 h GLU 114 N 0.00 -0.28 -0.02 4.80 4.81 -1.18 -3.12 114.58 119.59 1qx5 h GLU 114 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1qx5 h GLU 114 Cb 0.07 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1qx5 h GLU 114 CO 0.00 -0.19 0.00 1.63 -0.73 0.00 0.00 179.01 179.73 1qx5 n LYS 115 N -3.19 0.10 -3.78 1.92 5.02 -1.11 -4.54 118.16 112.59 1qx5 n LYS 115 Ca -0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 1qx5 n LYS 115 Cb 0.11 -1.01 -0.17 0.00 -0.02 0.00 0.00 35.03 33.95 1qx5 n LYS 115 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1qx5 s LEU 116 N -0.77 0.85 0.15 -0.35 1.98 -1.10 -5.09 118.68 114.34 1qx5 s LEU 116 Ca 0.00 0.03 0.02 0.00 -2.89 0.00 0.00 54.13 51.29 1qx5 s LEU 116 Cb 0.00 -0.13 -0.04 0.00 0.66 0.00 0.00 46.19 46.68 1qx5 s LEU 116 CO 0.00 -0.16 0.30 0.42 -1.89 0.00 0.00 176.35 175.02 1qx5 s THR 117 N 1.36 5.31 0.41 3.68 -4.23 -1.26 -4.80 115.64 116.11 1qx5 s THR 117 Ca -0.05 -0.59 0.18 0.00 -1.18 0.00 0.00 61.69 60.04 1qx5 s THR 117 Cb -0.13 -3.73 0.38 0.00 1.34 0.00 0.00 72.50 70.37 1qx5 s THR 117 CO -0.03 -0.08 1.83 -0.78 -0.54 0.00 0.00 174.62 175.02 1qx5 h ASP 118 N 2.21 0.43 0.99 3.99 1.82 -1.99 0.43 116.42 124.30 1qx5 h ASP 118 Ca -0.48 0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.13 1qx5 h ASP 118 Cb 1.19 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.17 1qx5 h ASP 118 CO 0.69 0.15 -0.39 -0.08 -1.61 0.00 0.00 179.24 178.00 1qx5 h GLU 119 N 0.41 0.00 -0.13 0.28 4.57 -2.02 -3.30 114.58 114.39 1qx5 h GLU 119 Ca 0.51 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.54 1qx5 h GLU 119 Cb 1.26 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1qx5 h GLU 119 CO -0.21 0.39 -0.49 0.93 -1.18 0.00 0.00 179.01 178.45 1qx5 h GLU 120 N 0.00 0.57 -0.58 1.92 5.08 -1.30 -2.87 114.58 117.40 1qx5 h GLU 120 Ca -0.00 -0.43 0.11 0.00 -1.00 0.00 0.00 59.36 58.04 1qx5 h GLU 120 Cb 0.99 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.23 1qx5 h GLU 120 CO 0.05 1.05 0.07 0.28 -1.00 0.00 0.00 179.01 179.46 1qx5 h VAL 121 N 0.20 0.60 -0.49 3.13 2.07 -1.62 0.18 116.25 120.31 1qx5 h VAL 121 Ca -0.02 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1qx5 h VAL 121 Cb 1.12 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1qx5 h VAL 121 CO 0.10 0.03 0.19 -0.78 0.02 0.00 0.00 177.57 177.14 1qx5 h ASP 122 N 0.19 0.67 -0.70 0.57 1.82 -1.70 -2.49 116.42 114.78 1qx5 h ASP 122 Ca 0.30 -0.17 0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1qx5 h ASP 122 Cb 0.46 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 1qx5 h ASP 122 CO -0.44 0.66 0.43 -0.33 -1.61 0.00 0.00 179.24 177.96 1qx5 h GLU 123 N 0.64 0.81 -0.00 0.28 5.08 -0.73 -1.25 114.58 119.41 1qx5 h GLU 123 Ca 0.16 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1qx5 h GLU 123 Cb 0.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1qx5 h GLU 123 CO -0.01 0.54 -0.40 0.52 -1.00 0.00 0.00 179.01 178.65 1qx5 h MET 124 N 0.84 0.01 0.03 2.33 2.86 -0.58 -2.04 114.93 118.37 1qx5 h MET 124 Ca 0.28 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1qx5 h MET 124 Cb 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1qx5 h MET 124 CO -0.12 0.41 -0.01 0.82 1.06 0.00 0.00 176.91 179.07 1qx5 h ILE 125 N 0.01 1.39 -0.90 -1.22 2.04 -0.93 0.39 117.51 118.30 1qx5 h ILE 125 Ca -0.00 -1.43 0.12 0.00 1.00 0.00 0.00 64.86 64.55 1qx5 h ILE 125 Cb 0.72 2.33 -0.07 0.00 -0.74 0.00 0.00 36.82 39.06 1qx5 h ILE 125 CO 0.05 0.36 0.58 0.03 0.00 0.00 0.00 178.15 179.17 1qx5 h ARG 126 N -0.67 0.77 0.33 2.37 3.08 -1.22 -2.99 114.38 116.05 1qx5 h ARG 126 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1qx5 h ARG 126 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1qx5 h ARG 126 CO 0.01 0.51 -0.16 0.93 -1.07 0.00 0.00 179.97 180.19 1qx5 h GLU 127 N 0.79 -0.42 -7.09 0.04 4.39 -1.35 -3.46 114.58 107.48 1qx5 h GLU 127 Ca 0.44 0.03 -0.49 0.00 0.34 0.00 0.00 59.36 59.67 1qx5 h GLU 127 Cb 0.58 0.10 0.21 0.00 -0.10 0.00 0.00 28.75 29.53 1qx5 h GLU 127 CO -0.20 -0.20 -0.10 0.00 -1.16 0.00 0.00 179.01 177.35 1qx5 n ALA 128 N -2.70 -2.05 -2.68 3.43 0.00 0.14 -4.95 120.51 111.69 1qx5 n ALA 128 Ca -0.07 -0.82 -0.40 0.00 0.00 0.00 0.00 53.44 52.14 1qx5 n ALA 128 Cb 0.21 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 1qx5 n ALA 128 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1qx5 s ASP 129 N -2.39 6.90 -0.24 0.00 -4.77 -1.26 -4.86 116.67 110.03 1qx5 s ASP 129 Ca 0.65 1.09 0.01 0.00 -3.30 0.00 0.00 52.55 51.00 1qx5 s ASP 129 Cb -0.22 -2.41 0.04 0.00 -1.09 0.00 0.00 42.92 39.23 1qx5 s ASP 129 CO 0.62 -0.27 -0.10 -0.51 0.70 0.00 0.00 175.17 175.61 1qx5 s ILE 130 N 1.65 2.47 0.16 2.11 1.10 -1.26 -4.55 121.20 122.88 1qx5 s ILE 130 Ca 0.36 -1.26 -0.03 0.00 -0.51 0.00 0.00 60.65 59.21 1qx5 s ILE 130 Cb -0.17 -2.30 0.04 0.00 0.15 0.00 0.00 42.46 40.18 1qx5 s ILE 130 CO 0.14 0.15 0.15 -0.90 -2.11 0.00 0.00 174.94 172.38 1qx5 n ASP 131 N 4.57 -0.86 0.06 4.50 5.68 -0.95 -4.86 116.55 124.69 1qx5 n ASP 131 Ca -0.16 -0.71 -0.12 0.00 -0.50 0.00 0.00 54.79 53.30 1qx5 n ASP 131 Cb 0.45 -0.13 -0.07 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.66 -0.06 0.77 6.12 0.00 -1.99 -2.14 103.07 105.11 1qx5 h GLY 132 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1qx5 h GLY 132 CO 0.04 -0.02 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1qx5 n ASP 133 N -5.10 0.00 -2.78 0.19 9.92 -1.26 -4.76 116.55 112.76 1qx5 n ASP 133 Ca -0.08 -0.26 -0.18 0.00 -0.53 0.00 0.00 54.79 53.75 1qx5 n ASP 133 Cb 0.06 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.60 1qx5 n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qx5 n GLY 134 N -0.51 -0.15 3.55 0.44 0.00 -0.80 -5.00 105.19 102.72 1qx5 n GLY 134 Ca 0.04 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1qx5 n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qx5 s GLN 135 N -5.97 2.39 -0.03 1.61 2.00 -1.26 -4.89 119.66 113.51 1qx5 s GLN 135 Ca 0.43 -0.82 -0.06 0.00 -2.00 0.00 0.00 55.36 52.92 1qx5 s GLN 135 Cb -0.19 -2.40 0.01 0.00 0.80 0.00 0.00 33.01 31.23 1qx5 s GLN 135 CO 0.53 0.58 0.14 0.54 -0.50 0.00 0.00 175.29 176.59 1qx5 s VAL 136 N -0.98 0.04 -0.27 1.34 0.11 -1.26 -2.24 120.40 117.13 1qx5 s VAL 136 Ca 0.17 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 1qx5 s VAL 136 Cb -0.11 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1qx5 s VAL 136 CO 0.07 -0.16 1.48 0.21 -3.33 0.00 0.00 175.10 173.37 1qx5 s ASN 137 N -0.52 6.48 0.00 3.54 2.47 -1.26 -4.87 114.94 120.77 1qx5 s ASN 137 Ca -0.06 1.37 0.03 0.00 0.42 0.00 0.00 52.86 54.62 1qx5 s ASN 137 Cb -0.04 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.38 1qx5 s ASN 137 CO 0.01 -1.22 0.67 0.00 -3.72 0.00 0.00 177.10 172.84 1qx5 n TYR 138 N 8.21 0.00 0.01 0.43 0.18 -1.26 -1.89 117.16 122.84 1qx5 n TYR 138 Ca 0.17 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.86 1qx5 n TYR 138 Cb 0.46 -0.03 0.06 0.00 -0.38 0.00 0.00 39.34 39.44 1qx5 n TYR 138 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1qx5 h GLU 139 N 0.00 0.54 0.00 -3.48 4.39 -1.99 -2.19 114.58 111.84 1qx5 h GLU 139 Ca 0.00 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.30 1qx5 h GLU 139 Cb 0.00 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1qx5 h GLU 139 CO 0.00 0.95 -0.26 0.93 -1.16 0.00 0.00 179.01 179.48 1qx5 h GLU 140 N 0.41 0.00 0.10 2.33 5.08 -1.79 0.31 114.58 121.02 1qx5 h GLU 140 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1qx5 h GLU 140 Cb 1.11 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.38 1qx5 h GLU 140 CO 0.10 0.26 -1.09 0.74 -1.00 0.00 0.00 179.01 178.02 1qx5 h PHE 141 N 0.00 0.90 -0.25 4.33 -1.00 -1.67 -1.64 116.94 117.61 1qx5 h PHE 141 Ca -0.00 -0.56 -0.09 0.00 2.81 0.00 0.00 57.97 60.12 1qx5 h PHE 141 Cb 0.46 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1qx5 h PHE 141 CO 0.00 1.41 -0.19 -0.24 -1.61 0.00 0.00 178.31 177.68 1qx5 h VAL 142 N 0.14 1.31 0.00 -0.55 3.04 -1.14 -2.87 116.25 116.18 1qx5 h VAL 142 Ca -0.17 -1.32 -0.08 0.00 -1.01 0.00 0.00 66.70 64.13 1qx5 h VAL 142 Cb 1.79 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 32.67 1qx5 h VAL 142 CO 0.21 0.41 -0.36 0.06 -1.01 0.00 0.00 177.57 176.88 1qx5 h GLN 143 N 0.29 0.00 -0.29 4.17 3.07 -1.04 -3.13 115.11 118.18 1qx5 h GLN 143 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 1qx5 h GLN 143 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 1qx5 h GLN 143 CO 0.05 0.36 0.13 0.52 0.09 0.00 0.00 178.83 179.98 1qx5 h MET 144 N 0.00 0.42 -2.00 0.06 2.86 -1.09 -3.03 114.93 112.15 1qx5 h MET 144 Ca -0.00 -0.07 -0.39 0.00 -2.06 0.00 0.00 59.70 57.18 1qx5 h MET 144 Cb 0.88 -0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.33 1qx5 h MET 144 CO 0.05 0.41 0.13 0.00 1.06 0.00 0.00 176.91 178.56 1qx5 n MET 145 N -4.78 2.26 0.00 1.72 0.00 -1.10 -5.09 117.12 110.13 1qx5 n MET 145 Ca -0.02 -1.89 0.00 0.00 0.00 0.00 0.00 57.70 55.79 1qx5 n MET 145 Cb 0.11 -2.09 0.00 0.00 0.00 0.00 0.00 33.22 31.24 1qx5 n MET 145 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22