#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qx5 s THR 5 N 0.00 1.65 0.27 -5.08 -4.23 -1.26 -4.87 115.64 102.12 1qx5 s THR 5 Ca 0.00 -2.13 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1qx5 s THR 5 Cb 0.00 -2.44 0.34 0.00 1.34 0.00 0.00 72.50 71.74 1qx5 s THR 5 CO 0.00 -0.31 1.30 -0.62 -0.54 0.00 0.00 174.62 174.45 1qx5 n GLU 6 N -0.58 -0.06 -0.15 3.99 -0.58 -1.26 0.18 120.64 122.18 1qx5 n GLU 6 Ca -0.05 1.22 -0.06 0.00 -0.42 0.00 0.00 57.16 57.84 1qx5 n GLU 6 Cb 0.63 -1.99 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 1qx5 n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1qx5 h GLU 7 N 0.00 0.51 0.03 3.49 4.39 -2.00 -2.64 114.58 118.37 1qx5 h GLU 7 Ca 0.54 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 60.09 1qx5 h GLU 7 Cb 1.19 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1qx5 h GLU 7 CO -0.75 0.34 -0.47 1.96 -1.16 0.00 0.00 179.01 178.93 1qx5 h GLN 8 N 0.53 0.26 -0.93 2.33 4.20 0.14 -2.90 115.11 118.74 1qx5 h GLN 8 Ca 0.18 -0.32 0.26 0.00 0.06 0.00 0.00 58.65 58.83 1qx5 h GLN 8 Cb 0.02 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1qx5 h GLN 8 CO -0.09 1.06 0.66 0.82 -0.67 0.00 0.00 178.83 180.61 1qx5 h ILE 9 N -0.40 0.56 -0.00 2.54 1.08 -0.13 0.43 117.51 121.58 1qx5 h ILE 9 Ca -0.07 -0.03 -0.26 0.00 -0.39 0.00 0.00 64.86 64.11 1qx5 h ILE 9 Cb 1.25 0.46 0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1qx5 h ILE 9 CO 0.09 0.02 -1.02 0.00 -0.69 0.00 0.00 178.15 176.54 1qx5 h ALA 10 N 1.55 0.13 0.47 1.87 0.00 -1.48 -1.91 119.26 119.89 1qx5 h ALA 10 Ca 0.46 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1qx5 h ALA 10 Cb 1.66 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1qx5 h ALA 10 CO -0.05 0.67 -0.22 0.93 0.00 0.00 0.00 179.25 180.57 1qx5 h GLU 11 N 0.38 -0.60 -0.76 0.00 5.08 -0.02 -0.29 114.58 118.37 1qx5 h GLU 11 Ca -0.13 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1qx5 h GLU 11 Cb 1.68 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 31.00 1qx5 h GLU 11 CO 0.20 -0.38 0.43 0.74 -1.00 0.00 0.00 179.01 179.00 1qx5 h PHE 12 N -0.67 0.78 -0.36 4.33 -1.00 -1.09 -1.80 116.94 117.13 1qx5 h PHE 12 Ca -0.06 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 1qx5 h PHE 12 Cb 0.50 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1qx5 h PHE 12 CO -0.03 0.35 0.02 -0.22 -1.61 0.00 0.00 178.31 176.82 1qx5 h LYS 13 N 0.76 0.61 -0.39 1.51 3.11 -1.22 0.13 116.57 121.08 1qx5 h LYS 13 Ca 0.35 -0.18 0.03 0.00 -2.81 0.00 0.00 60.65 58.04 1qx5 h LYS 13 Cb 0.27 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.40 1qx5 h LYS 13 CO -0.22 0.71 0.18 1.49 -2.81 0.00 0.00 179.45 178.81 1qx5 h GLU 14 N 0.44 0.36 0.55 1.90 4.81 -0.45 -0.59 114.58 121.59 1qx5 h GLU 14 Ca 0.10 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1qx5 h GLU 14 Cb 0.42 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.72 1qx5 h GLU 14 CO 0.01 0.24 -0.26 0.00 -0.73 0.00 0.00 179.01 178.27 1qx5 h ALA 15 N 1.21 -0.74 -0.72 2.92 0.00 -1.13 -2.26 119.26 118.54 1qx5 h ALA 15 Ca 0.17 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.02 1qx5 h ALA 15 Cb 0.09 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.03 1qx5 h ALA 15 CO -0.13 -0.79 -0.23 0.35 0.00 0.00 0.00 179.25 178.45 1qx5 h PHE 16 N -0.98 -0.54 0.00 0.00 3.57 -0.87 0.13 116.94 118.25 1qx5 h PHE 16 Ca -0.08 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1qx5 h PHE 16 Cb 0.64 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1qx5 h PHE 16 CO 0.00 -0.34 -0.07 1.03 -2.23 0.00 0.00 178.31 176.70 1qx5 h SER 17 N -0.04 0.00 -0.49 0.41 0.87 -1.03 -2.28 113.55 111.00 1qx5 h SER 17 Ca 0.33 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1qx5 h SER 17 Cb 0.55 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1qx5 h SER 17 CO -0.76 0.07 0.22 -0.07 -0.53 0.00 0.00 176.83 175.76 1qx5 h LEU 18 N 0.00 0.66 -3.82 2.23 3.38 -0.11 -2.64 115.31 115.01 1qx5 h LEU 18 Ca -0.00 -0.15 -0.37 0.00 0.09 0.00 0.00 57.88 57.45 1qx5 h LEU 18 Cb 0.13 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 40.49 1qx5 h LEU 18 CO 0.01 0.63 0.47 0.49 0.09 0.00 0.00 178.44 180.13 1qx5 n PHE 19 N -4.59 2.73 -3.36 1.13 3.72 -0.88 -4.73 117.46 111.48 1qx5 n PHE 19 Ca 0.02 -1.52 -0.45 0.00 -0.05 0.00 0.00 57.45 55.45 1qx5 n PHE 19 Cb 0.14 -0.82 -0.01 0.00 -0.94 0.00 0.00 39.48 37.85 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 -1.10 7.03 0.00 4.37 3.68 -1.00 -4.89 116.67 124.76 1qx5 s ASP 20 Ca 0.55 -3.33 0.00 0.00 2.13 0.00 0.00 52.55 51.90 1qx5 s ASP 20 Cb 0.45 -2.18 0.00 0.00 -1.45 0.00 0.00 42.92 39.74 1qx5 s ASP 20 CO 0.12 -0.37 0.53 2.29 0.13 0.00 0.00 175.17 177.88 1qx5 n LYS 21 N 3.07 0.00 0.00 4.34 2.85 -1.26 -3.80 118.16 123.35 1qx5 n LYS 21 Ca 0.20 0.53 0.00 0.00 -1.05 0.00 0.00 58.31 58.00 1qx5 n LYS 21 Cb 0.41 -1.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 1qx5 n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1qx5 n ASP 22 N -1.13 0.00 0.00 -5.58 5.68 -1.26 -4.95 116.55 109.30 1qx5 n ASP 22 Ca 0.00 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 1qx5 n ASP 22 Cb 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.82 -0.01 3.95 6.12 0.00 -1.25 -5.16 105.19 108.03 1qx5 n GLY 23 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1qx5 n GLY 23 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qx5 s ASP 24 N 0.00 4.35 0.00 1.61 -4.77 -1.26 -4.93 116.67 111.67 1qx5 s ASP 24 Ca 0.00 0.19 -0.01 0.00 -3.30 0.00 0.00 52.55 49.43 1qx5 s ASP 24 Cb 0.00 -0.65 -0.06 0.00 -1.09 0.00 0.00 42.92 41.12 1qx5 s ASP 24 CO 0.00 -1.89 2.17 0.61 0.70 0.00 0.00 175.17 176.75 1qx5 n GLY 25 N -3.06 2.43 3.03 2.12 0.00 -1.26 -4.79 105.19 103.66 1qx5 n GLY 25 Ca 0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 0.42 0.22 0.07 2.61 -4.23 -1.26 0.13 115.64 113.60 1qx5 s THR 26 Ca 0.14 -1.19 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 1qx5 s THR 26 Cb 0.07 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.24 1qx5 s THR 26 CO 0.00 -0.62 0.20 0.27 -0.54 0.00 0.00 174.62 173.93 1qx5 s ILE 27 N -2.12 0.13 1.06 2.99 -4.36 -0.78 -4.72 121.20 113.40 1qx5 s ILE 27 Ca -0.08 -1.03 -0.12 0.00 -0.26 0.00 0.00 60.65 59.15 1qx5 s ILE 27 Cb -0.05 -1.13 0.23 0.00 1.25 0.00 0.00 42.46 42.75 1qx5 s ILE 27 CO -0.03 -0.57 1.07 0.42 0.24 0.00 0.00 174.94 176.07 1qx5 s THR 28 N -3.24 2.13 0.18 8.37 -4.23 -1.26 -0.98 115.64 116.61 1qx5 s THR 28 Ca 0.00 0.04 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1qx5 s THR 28 Cb 0.02 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 1qx5 s THR 28 CO -0.08 -0.05 1.55 0.74 -0.54 0.00 0.00 174.62 176.24 1qx5 h THR 29 N -2.27 1.28 -0.59 3.99 2.02 -1.79 -3.19 112.91 112.36 1qx5 h THR 29 Ca -0.56 -1.50 -0.07 0.00 0.77 0.00 0.00 66.41 65.05 1qx5 h THR 29 Cb 1.31 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 1qx5 h THR 29 CO 0.50 0.50 0.11 0.07 0.37 0.00 0.00 175.52 177.06 1qx5 h LYS 30 N 0.66 0.94 -0.02 6.66 2.10 -1.88 -2.70 116.57 122.33 1qx5 h LYS 30 Ca 0.07 -0.22 0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1qx5 h LYS 30 Cb 0.89 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1qx5 h LYS 30 CO 0.08 0.86 0.11 0.93 -2.00 0.00 0.00 179.45 179.44 1qx5 h GLU 31 N 0.89 0.00 0.14 0.07 5.08 -1.69 -3.05 114.58 116.02 1qx5 h GLU 31 Ca 0.18 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1qx5 h GLU 31 Cb 0.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1qx5 h GLU 31 CO 0.01 0.00 -0.50 1.25 -1.00 0.00 0.00 179.01 178.76 1qx5 h LEU 32 N 0.00 -1.50 -1.27 1.33 6.46 -1.57 0.03 115.31 118.80 1qx5 h LEU 32 Ca 0.01 0.16 0.21 0.00 -0.12 0.00 0.00 57.88 58.14 1qx5 h LEU 32 Cb 0.24 0.55 -0.09 0.00 -0.73 0.00 0.00 40.66 40.63 1qx5 h LEU 32 CO -0.00 -0.55 0.62 1.23 -0.62 0.00 0.00 178.44 179.12 1qx5 h GLY 33 N -0.75 1.32 0.86 3.75 0.00 -1.75 0.10 103.07 106.59 1qx5 h GLY 33 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1qx5 h GLY 33 CO -0.27 -0.05 -0.34 -0.84 0.00 0.00 0.00 176.54 175.05 1qx5 h THR 34 N 0.56 0.31 -0.97 4.70 2.02 -1.18 -2.37 112.91 115.98 1qx5 h THR 34 Ca 0.54 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.81 1qx5 h THR 34 Cb 1.11 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 1qx5 h THR 34 CO -0.28 0.00 0.61 0.58 0.37 0.00 0.00 175.52 176.80 1qx5 h VAL 35 N -0.84 1.00 0.13 3.16 2.07 0.39 0.11 116.25 122.28 1qx5 h VAL 35 Ca -0.06 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1qx5 h VAL 35 Cb 0.68 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1qx5 h VAL 35 CO 0.07 0.19 -0.10 0.24 0.02 0.00 0.00 177.57 177.99 1qx5 h MET 36 N 1.04 -0.22 -0.27 1.57 2.86 -0.53 -2.79 114.93 116.60 1qx5 h MET 36 Ca 0.45 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.11 1qx5 h MET 36 Cb 0.31 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1qx5 h MET 36 CO -0.22 -0.15 0.18 0.07 1.06 0.00 0.00 176.91 177.86 1qx5 h ARG 37 N -0.23 0.32 0.00 1.72 0.11 -0.87 0.26 114.38 115.69 1qx5 h ARG 37 Ca -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1qx5 h ARG 37 Cb 0.19 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1qx5 h ARG 37 CO 0.01 0.21 0.17 0.66 0.10 0.00 0.00 179.97 181.12 1qx5 h SER 38 N 0.33 0.00 -0.00 0.08 4.64 -0.52 0.31 113.55 118.39 1qx5 h SER 38 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1qx5 h SER 38 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qx5 h SER 38 CO -0.02 0.00 -0.20 0.18 -0.87 0.00 0.00 176.83 175.91 1qx5 n LEU 39 N -2.55 2.31 0.00 5.97 4.77 0.89 -5.00 117.00 123.40 1qx5 n LEU 39 Ca -0.02 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1qx5 n LEU 39 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1qx5 n LEU 39 CO 0.12 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1qx5 n GLY 40 N 1.36 1.23 3.29 -0.72 0.00 0.11 -5.10 105.19 105.36 1qx5 n GLY 40 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1qx5 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qx5 s GLN 41 N -0.23 1.51 -0.64 1.61 0.00 -1.25 -4.47 119.66 116.20 1qx5 s GLN 41 Ca 0.00 -1.03 -0.08 0.00 -0.00 0.00 0.00 55.36 54.25 1qx5 s GLN 41 Cb 0.00 -1.67 0.16 0.00 0.00 0.00 0.00 33.01 31.50 1qx5 s GLN 41 CO 0.00 0.42 0.51 0.54 0.00 0.00 0.00 175.29 176.76 1qx5 s ASN 42 N -1.29 5.85 0.38 12.60 6.03 -1.26 -1.91 114.94 135.35 1qx5 s ASN 42 Ca 0.09 -2.49 -0.26 0.00 -1.03 0.00 0.00 52.86 49.17 1qx5 s ASN 42 Cb -0.09 -2.01 -0.09 0.00 -3.03 0.00 0.00 41.25 36.02 1qx5 s ASN 42 CO 0.02 -0.54 1.17 -2.84 -2.03 0.00 0.00 177.10 172.88 1qx5 s PRO 43 N 0.48 4.17 0.64 3.55 0.02 -1.26 -5.01 135.00 137.59 1qx5 s PRO 43 Ca 0.13 1.85 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 1qx5 s PRO 43 Cb -0.19 -2.78 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 1qx5 s PRO 43 CO -0.04 -0.22 1.06 0.95 -0.33 0.00 0.00 177.00 178.42 1qx5 s THR 44 N -1.37 3.82 0.58 0.99 -4.23 -1.26 -4.79 115.64 109.39 1qx5 s THR 44 Ca 0.55 0.76 0.28 0.00 -1.18 0.00 0.00 61.69 62.09 1qx5 s THR 44 Cb -0.31 -3.35 0.35 0.00 1.34 0.00 0.00 72.50 70.54 1qx5 s THR 44 CO 0.40 -0.61 2.16 -0.08 -0.54 0.00 0.00 174.62 175.94 1qx5 h GLU 45 N -0.04 0.00 -0.02 3.99 4.57 -1.99 0.12 114.58 121.20 1qx5 h GLU 45 Ca -0.46 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.50 1qx5 h GLU 45 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1qx5 h GLU 45 CO 0.57 0.00 -0.90 0.00 -1.18 0.00 0.00 179.01 177.50 1qx5 h ALA 46 N 1.86 0.40 -0.21 2.92 0.00 -1.99 -2.20 119.26 120.03 1qx5 h ALA 46 Ca 0.05 -0.68 -0.21 0.00 0.00 0.00 0.00 54.91 54.07 1qx5 h ALA 46 Cb 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qx5 h ALA 46 CO -0.00 0.79 -0.68 0.93 0.00 0.00 0.00 179.25 180.30 1qx5 h GLU 47 N 0.26 0.83 -0.83 0.00 5.08 -1.19 -2.06 114.58 116.67 1qx5 h GLU 47 Ca -0.07 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 57.69 1qx5 h GLU 47 Cb 1.52 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.83 1qx5 h GLU 47 CO 0.16 1.23 0.55 -0.07 -1.00 0.00 0.00 179.01 179.88 1qx5 h LEU 48 N 0.60 0.95 -0.08 1.33 3.38 -1.06 -2.42 115.31 118.01 1qx5 h LEU 48 Ca -0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1qx5 h LEU 48 Cb 1.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1qx5 h LEU 48 CO 0.14 0.69 -0.18 -0.61 0.09 0.00 0.00 178.44 178.57 1qx5 h GLN 49 N 1.13 0.27 0.00 1.13 5.75 -1.33 -1.93 115.11 120.12 1qx5 h GLN 49 Ca 0.30 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1qx5 h GLN 49 Cb -0.13 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.44 1qx5 h GLN 49 CO -0.07 0.78 0.00 -0.25 -2.65 0.00 0.00 178.83 176.64 1qx5 n ASP 50 N -4.56 0.00 -0.08 -0.69 8.00 -0.78 -1.76 116.55 116.68 1qx5 n ASP 50 Ca -0.08 -0.49 -0.17 0.00 0.71 0.00 0.00 54.79 54.76 1qx5 n ASP 50 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 1qx5 n ASP 50 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1qx5 n MET 51 N -0.74 0.37 0.16 -1.24 1.56 -0.93 -4.43 117.12 111.87 1qx5 n MET 51 Ca 0.04 0.14 0.12 0.00 -0.27 0.00 0.00 57.70 57.73 1qx5 n MET 51 Cb 0.02 -1.15 0.57 0.00 2.15 0.00 0.00 33.22 34.80 1qx5 n MET 51 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1qx5 n ILE 52 N -3.59 0.92 1.38 1.12 2.08 -0.72 -2.42 119.36 118.14 1qx5 n ILE 52 Ca -0.33 0.53 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1qx5 n ILE 52 Cb 0.75 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 1qx5 n ILE 52 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1qx5 n ASN 53 N -2.29 0.10 0.00 4.38 5.03 -0.86 -2.08 115.26 119.55 1qx5 n ASN 53 Ca -0.00 -1.49 0.00 0.00 0.87 0.00 0.00 54.58 53.96 1qx5 n ASN 53 Cb 0.12 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 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 -0.41 3.72 0.00 3.52 4.07 -1.01 -4.73 120.64 125.79 1qx5 n GLU 54 Ca 0.00 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1qx5 n GLU 54 Cb 0.03 -0.32 0.00 0.00 -0.06 0.00 0.00 31.44 31.08 1qx5 n GLU 54 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1qx5 n VAL 55 N -0.54 0.00 0.49 6.31 0.31 -0.88 -4.77 118.33 119.25 1qx5 n VAL 55 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1qx5 n VAL 55 Cb 0.01 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 -0.31 0.32 -1.33 4.52 4.64 -0.94 -3.98 116.55 119.48 1qx5 n ASP 56 Ca 0.00 -0.81 0.00 0.00 -1.38 0.00 0.00 54.79 52.60 1qx5 n ASP 56 Cb 0.00 -0.16 0.00 0.00 -1.04 0.00 0.00 41.12 39.92 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 0.13 2.81 -1.59 -1.67 0.00 -1.02 -1.92 120.51 117.24 1qx5 n ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qx5 n ALA 57 Cb 0.08 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.16 0.00 -2.92 0.00 5.68 -1.26 -5.00 116.55 114.21 1qx5 n ASP 58 Ca 0.00 -1.34 -0.07 0.00 -0.50 0.00 0.00 54.79 52.88 1qx5 n ASP 58 Cb 0.37 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.29 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 0.00 -2.23 0.22 6.12 0.00 -0.81 -4.98 105.19 103.51 1qx5 n GLY 59 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 0.39 0.00 0.00 1.61 4.05 -1.26 -5.06 115.26 115.00 1qx5 n ASN 60 Ca 0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.06 1qx5 n ASN 60 Cb 0.30 0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.31 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 1.21 0.70 3.16 8.20 0.00 -1.26 -5.06 105.19 112.14 1qx5 n GLY 61 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.43 0.56 -0.03 2.61 -4.23 -1.26 -2.32 115.64 108.53 1qx5 s THR 62 Ca 0.00 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1qx5 s THR 62 Cb 0.00 -1.72 0.02 0.00 1.34 0.00 0.00 72.50 72.14 1qx5 s THR 62 CO 0.00 -0.83 -0.04 -0.51 -0.54 0.00 0.00 174.62 172.69 1qx5 s ILE 63 N -3.71 0.49 0.37 2.99 2.07 -0.16 -4.32 121.20 118.93 1qx5 s ILE 63 Ca 0.13 -0.14 -0.20 0.00 -1.41 0.00 0.00 60.65 59.03 1qx5 s ILE 63 Cb 0.06 -0.49 -0.10 0.00 0.13 0.00 0.00 42.46 42.06 1qx5 s ILE 63 CO -0.05 0.19 0.87 -1.81 -1.91 0.00 0.00 174.94 172.23 1qx5 s ASP 64 N 0.63 6.94 0.14 4.50 1.01 -1.24 -1.86 116.67 126.78 1qx5 s ASP 64 Ca -0.08 1.56 -0.19 0.00 0.71 0.00 0.00 52.55 54.55 1qx5 s ASP 64 Cb -0.11 -2.48 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 1qx5 s ASP 64 CO -0.00 -0.25 1.73 0.15 0.21 0.00 0.00 175.17 177.00 1qx5 h PHE 65 N 2.25 0.04 -0.31 4.23 3.57 -0.70 0.42 116.94 126.45 1qx5 h PHE 65 Ca -0.48 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.10 1qx5 h PHE 65 Cb 1.18 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 1qx5 h PHE 65 CO 0.62 -0.00 -0.09 -1.35 -2.23 0.00 0.00 178.31 175.26 1qx5 h PRO 66 N 0.11 -0.01 -0.05 6.41 0.11 -1.95 1.60 132.00 138.22 1qx5 h PRO 66 Ca 0.11 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.25 1qx5 h PRO 66 Cb 0.13 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 1qx5 h PRO 66 CO -0.17 -0.01 -0.14 0.93 -0.21 0.00 0.00 178.00 178.40 1qx5 h GLU 67 N -0.02 -0.21 0.20 1.05 5.08 -1.80 0.79 114.58 119.68 1qx5 h GLU 67 Ca 0.15 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1qx5 h GLU 67 Cb 0.25 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1qx5 h GLU 67 CO -0.33 -0.14 -0.28 0.35 -1.00 0.00 0.00 179.01 177.61 1qx5 h PHE 68 N -0.21 -0.75 -0.55 4.33 3.04 0.15 0.64 116.94 123.59 1qx5 h PHE 68 Ca 0.07 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.11 1qx5 h PHE 68 Cb 0.30 0.30 -0.07 0.00 2.56 0.00 0.00 35.95 39.05 1qx5 h PHE 68 CO -0.22 -0.39 0.18 1.25 -2.02 0.00 0.00 178.31 177.10 1qx5 h LEU 69 N -0.54 0.15 0.18 0.59 5.85 0.25 0.43 115.31 122.22 1qx5 h LEU 69 Ca 0.01 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1qx5 h LEU 69 Cb 0.53 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1qx5 h LEU 69 CO -0.11 0.10 -0.09 0.71 -0.34 0.00 0.00 178.44 178.71 1qx5 h THR 70 N 0.34 0.91 -0.24 1.05 1.35 -0.45 -1.01 112.91 114.87 1qx5 h THR 70 Ca 0.27 -0.49 0.07 0.00 -0.55 0.00 0.00 66.41 65.71 1qx5 h THR 70 Cb 0.33 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1qx5 h THR 70 CO -0.29 0.11 0.24 -0.03 -0.25 0.00 0.00 175.52 175.30 1qx5 h MET 71 N -0.49 0.00 0.11 4.72 1.85 0.89 0.17 114.93 122.18 1qx5 h MET 71 Ca -0.03 0.00 -0.27 0.00 -0.61 0.00 0.00 59.70 58.80 1qx5 h MET 71 Cb 0.37 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.40 1qx5 h MET 71 CO 0.04 0.00 -1.20 0.52 -0.40 0.00 0.00 176.91 175.87 1qx5 h MET 72 N 0.00 0.26 0.00 0.39 2.07 0.35 -3.27 114.93 114.74 1qx5 h MET 72 Ca 0.11 -0.43 0.00 0.00 -2.07 0.00 0.00 59.70 57.31 1qx5 h MET 72 Cb 0.59 0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.48 1qx5 h MET 72 CO -0.00 1.20 0.00 0.00 1.07 0.00 0.00 176.91 179.17 1qx5 n ALA 73 N -2.52 1.53 -0.87 6.32 0.00 0.05 -2.30 120.51 122.72 1qx5 n ALA 73 Ca -0.08 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1qx5 n ALA 73 Cb 1.00 -1.09 0.30 0.00 0.00 0.00 0.00 19.45 19.67 1qx5 n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qx5 n ARG 74 N -1.20 3.58 -0.96 0.00 1.74 -1.23 -4.68 116.66 113.91 1qx5 n ARG 74 Ca 0.03 -2.89 -0.02 0.00 -0.77 0.00 0.00 57.85 54.20 1qx5 n ARG 74 Cb 0.04 -1.93 -0.01 0.00 -1.02 0.00 0.00 32.46 29.53 1qx5 n ARG 74 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1qx5 n LYS 75 N 0.05 0.11 -0.91 5.56 2.85 -0.97 -5.02 118.16 119.83 1qx5 n LYS 75 Ca 0.23 -0.41 0.05 0.00 -1.05 0.00 0.00 58.31 57.13 1qx5 n LYS 75 Cb 0.95 0.43 0.14 0.00 -0.65 0.00 0.00 35.03 35.90 1qx5 n LYS 75 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1qx5 n MET 76 N -0.13 1.02 -0.51 -1.58 2.81 -1.23 -4.75 117.12 112.74 1qx5 n MET 76 Ca -0.10 -2.83 0.04 0.00 -1.81 0.00 0.00 57.70 53.00 1qx5 n MET 76 Cb 0.47 -1.04 0.21 0.00 -0.71 0.00 0.00 33.22 32.16 1qx5 n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1qx5 n LYS 77 N -0.54 2.14 0.00 0.03 4.01 -1.26 -4.68 118.16 117.85 1qx5 n LYS 77 Ca 0.14 -2.95 0.00 0.00 -0.51 0.00 0.00 58.31 54.99 1qx5 n LYS 77 Cb 0.85 -1.76 0.00 0.00 -0.51 0.00 0.00 35.03 33.62 1qx5 n LYS 77 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1qx5 n ASP 78 N -0.95 1.52 -4.03 4.39 5.68 -1.26 -5.03 116.55 116.87 1qx5 n ASP 78 Ca 0.24 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 54.17 1qx5 n ASP 78 Cb 0.88 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.73 1qx5 n ASP 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1qx5 n THR 79 N -2.21 0.00 -2.14 2.12 -1.04 -1.26 -4.88 114.28 104.87 1qx5 n THR 79 Ca 0.00 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 61.73 1qx5 n THR 79 Cb 0.26 -0.43 0.06 0.00 -1.82 0.00 0.00 70.33 68.40 1qx5 n THR 79 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1qx5 s ASP 80 N 7.80 4.94 0.16 8.00 1.47 -1.26 -4.95 116.67 132.84 1qx5 s ASP 80 Ca 1.22 0.63 -0.14 0.00 1.18 0.00 0.00 52.55 55.44 1qx5 s ASP 80 Cb -1.12 -1.32 0.05 0.00 -0.34 0.00 0.00 42.92 40.19 1qx5 s ASP 80 CO 0.44 -1.54 1.77 0.28 0.68 0.00 0.00 175.17 176.79 1qx5 h SER 81 N -0.62 0.65 -0.86 2.11 0.02 -2.00 -2.53 113.55 110.31 1qx5 h SER 81 Ca -0.45 -0.10 0.08 0.00 -0.84 0.00 0.00 61.79 60.49 1qx5 h SER 81 Cb 1.30 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.61 1qx5 h SER 81 CO 0.62 0.56 0.52 -0.08 -1.14 0.00 0.00 176.83 177.31 1qx5 h GLU 82 N 0.69 0.87 -0.61 3.45 4.81 -1.98 0.38 114.58 122.19 1qx5 h GLU 82 Ca 0.18 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1qx5 h GLU 82 Cb 0.06 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1qx5 h GLU 82 CO -0.03 0.58 0.39 1.49 -0.73 0.00 0.00 179.01 180.71 1qx5 h GLU 83 N 0.90 0.81 -0.25 1.92 4.22 -1.84 0.36 114.58 120.70 1qx5 h GLU 83 Ca 0.40 -0.06 -0.13 0.00 0.08 0.00 0.00 59.36 59.66 1qx5 h GLU 83 Cb 0.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1qx5 h GLU 83 CO -0.22 0.56 -0.38 0.93 -2.18 0.00 0.00 179.01 177.72 1qx5 h GLU 84 N 0.83 0.58 0.15 1.92 5.08 -1.08 -2.29 114.58 119.77 1qx5 h GLU 84 Ca 0.22 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1qx5 h GLU 84 Cb -0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1qx5 h GLU 84 CO -0.05 0.87 -0.07 0.82 -1.00 0.00 0.00 179.01 179.58 1qx5 h ILE 85 N 0.48 0.95 -0.29 3.13 1.08 0.51 -2.68 117.51 120.69 1qx5 h ILE 85 Ca 0.05 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 64.09 1qx5 h ILE 85 Cb 0.87 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1qx5 h ILE 85 CO 0.07 0.11 0.20 -0.09 -0.69 0.00 0.00 178.15 177.76 1qx5 h ARG 86 N -0.43 0.19 0.00 2.37 2.43 -0.94 -1.06 114.38 116.94 1qx5 h ARG 86 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1qx5 h ARG 86 Cb 0.34 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1qx5 h ARG 86 CO 0.03 0.13 -0.09 0.93 -1.51 0.00 0.00 179.97 179.46 1qx5 h GLU 87 N 0.20 0.00 0.12 0.20 4.39 -1.17 -0.08 114.58 118.23 1qx5 h GLU 87 Ca 0.13 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 1qx5 h GLU 87 Cb 0.27 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1qx5 h GLU 87 CO -0.02 0.09 -0.69 0.00 -1.16 0.00 0.00 179.01 177.23 1qx5 h ALA 88 N 1.91 -0.08 -0.28 3.43 0.00 -0.88 -3.02 119.26 120.33 1qx5 h ALA 88 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1qx5 h ALA 88 Cb 0.83 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1qx5 h ALA 88 CO 0.01 0.32 0.14 0.74 0.00 0.00 0.00 179.25 180.46 1qx5 h PHE 89 N -0.47 0.40 -0.88 0.00 0.05 -1.40 -2.17 116.94 112.48 1qx5 h PHE 89 Ca -0.12 -0.02 0.19 0.00 3.82 0.00 0.00 57.97 61.84 1qx5 h PHE 89 Cb 1.55 -0.13 -0.07 0.00 2.00 0.00 0.00 35.95 39.30 1qx5 h PHE 89 CO 0.21 0.36 0.58 0.00 -0.18 0.00 0.00 178.31 179.28 1qx5 h ARG 90 N 0.33 0.45 0.00 1.51 3.08 -1.08 0.68 114.38 119.35 1qx5 h ARG 90 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1qx5 h ARG 90 Cb 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1qx5 h ARG 90 CO -0.01 0.30 0.36 0.28 -1.07 0.00 0.00 179.97 179.82 1qx5 h VAL 91 N 0.47 0.00 -0.01 2.04 2.07 -1.25 0.45 116.25 120.02 1qx5 h VAL 91 Ca 0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.98 1qx5 h VAL 91 Cb 1.04 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1qx5 h VAL 91 CO -0.18 0.00 -0.66 0.49 0.02 0.00 0.00 177.57 177.23 1qx5 n PHE 92 N -2.58 0.00 -3.23 1.57 3.01 0.24 -4.64 117.46 111.82 1qx5 n PHE 92 Ca -0.02 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.00 1qx5 n PHE 92 Cb 0.39 -0.06 -0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1qx5 n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1qx5 s ASP 93 N -2.77 7.23 0.00 4.37 2.15 0.15 -4.53 116.67 123.27 1qx5 s ASP 93 Ca 0.14 -3.39 0.28 0.00 0.43 0.00 0.00 52.55 50.01 1qx5 s ASP 93 Cb 0.17 -2.26 1.62 0.00 -0.30 0.00 0.00 42.92 42.15 1qx5 s ASP 93 CO 0.71 -0.43 2.01 0.29 -0.17 0.00 0.00 175.17 177.58 1qx5 n LYS 94 N 3.56 0.76 -0.05 4.34 5.02 -1.26 -2.71 118.16 127.82 1qx5 n LYS 94 Ca 0.27 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.59 1qx5 n LYS 94 Cb 0.41 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1qx5 n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qx5 n ASP 95 N -1.07 1.47 -2.64 4.39 5.75 -1.26 -5.00 116.55 118.19 1qx5 n ASP 95 Ca 0.19 -2.00 -0.16 0.00 -0.01 0.00 0.00 54.79 52.82 1qx5 n ASP 95 Cb 0.13 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.53 -0.50 0.10 6.12 0.00 -1.10 -4.83 105.19 104.44 1qx5 n GLY 96 Ca 0.03 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.96 0.58 0.00 1.61 2.04 -1.26 -4.93 115.26 111.34 1qx5 n ASN 97 Ca -0.13 -0.41 0.00 0.00 -0.44 0.00 0.00 54.58 53.60 1qx5 n ASN 97 Cb 0.61 0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.91 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 1.40 0.77 3.47 4.83 0.00 -1.26 -5.05 105.19 109.36 1qx5 n GLY 98 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.97 2.69 0.43 1.61 2.02 -1.26 -5.09 117.35 114.77 1qx5 s TYR 99 Ca 0.00 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1qx5 s TYR 99 Cb 0.00 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 1qx5 s TYR 99 CO 0.00 0.18 0.04 0.96 -1.57 0.00 0.00 175.55 175.17 1qx5 s ILE 100 N -0.73 1.24 -0.26 2.71 -4.36 -1.26 -4.46 121.20 114.08 1qx5 s ILE 100 Ca 0.11 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.30 1qx5 s ILE 100 Cb -0.11 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 1qx5 s ILE 100 CO 0.00 0.00 0.63 -0.55 0.24 0.00 0.00 174.94 175.27 1qx5 s SER 101 N -3.70 6.58 0.22 4.36 0.15 -1.26 -4.93 113.70 115.12 1qx5 s SER 101 Ca 0.23 0.70 -0.07 0.00 0.70 0.00 0.00 55.95 57.50 1qx5 s SER 101 Cb 0.05 -2.34 0.19 0.00 -1.71 0.00 0.00 66.02 62.22 1qx5 s SER 101 CO 0.12 -0.38 1.84 0.00 1.20 0.00 0.00 173.24 176.02 1qx5 h ALA 102 N 7.91 1.11 -0.10 5.45 0.00 -1.99 -1.93 119.26 129.70 1qx5 h ALA 102 Ca -0.27 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1qx5 h ALA 102 Cb 1.12 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1qx5 h ALA 102 CO 0.77 0.64 -0.16 0.00 0.00 0.00 0.00 179.25 180.51 1qx5 h ALA 103 N 1.24 -0.10 -0.59 0.00 0.00 -1.99 0.71 119.26 118.53 1qx5 h ALA 103 Ca 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1qx5 h ALA 103 Cb 0.06 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1qx5 h ALA 103 CO -0.04 -0.62 0.27 0.93 0.00 0.00 0.00 179.25 179.79 1qx5 h GLU 104 N -0.21 0.87 -0.34 0.00 5.08 -1.93 0.27 114.58 118.33 1qx5 h GLU 104 Ca 0.09 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1qx5 h GLU 104 Cb 0.33 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1qx5 h GLU 104 CO -0.23 0.72 0.18 1.25 -1.00 0.00 0.00 179.01 179.93 1qx5 h LEU 105 N 0.81 0.42 0.46 1.33 5.85 -1.23 -0.40 115.31 122.57 1qx5 h LEU 105 Ca 0.20 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1qx5 h LEU 105 Cb 0.15 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1qx5 h LEU 105 CO -0.02 0.39 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.14 1qx5 h ARG 106 N 0.42 -0.61 -0.82 1.25 1.12 -0.21 -0.25 114.38 115.28 1qx5 h ARG 106 Ca 0.12 0.04 0.09 0.00 -1.11 0.00 0.00 59.98 59.12 1qx5 h ARG 106 Cb 0.06 0.14 -0.07 0.00 -0.01 0.00 0.00 29.97 30.09 1qx5 h ARG 106 CO -0.02 -0.41 0.48 1.25 -3.11 0.00 0.00 179.97 178.16 1qx5 h HIS 107 N -0.64 0.87 0.36 2.20 2.76 -0.40 0.33 115.15 120.64 1qx5 h HIS 107 Ca -0.06 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1qx5 h HIS 107 Cb 0.49 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1qx5 h HIS 107 CO -0.05 0.37 -0.17 0.28 -1.30 0.00 0.00 177.93 177.06 1qx5 h VAL 108 N 0.82 0.53 0.03 5.26 2.07 -0.61 -2.46 116.25 121.90 1qx5 h VAL 108 Ca 0.39 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1qx5 h VAL 108 Cb 0.32 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1qx5 h VAL 108 CO -0.23 0.10 -0.02 0.24 0.02 0.00 0.00 177.57 177.68 1qx5 h MET 109 N -0.90 -0.04 -0.84 1.57 2.86 -0.99 -0.14 114.93 116.45 1qx5 h MET 109 Ca -0.05 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.42 1qx5 h MET 109 Cb 0.54 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.10 1qx5 h MET 109 CO 0.08 0.18 0.22 0.25 1.06 0.00 0.00 176.91 178.71 1qx5 n THR 110 N -5.01 2.29 0.00 2.22 -2.24 0.12 -3.12 114.28 108.54 1qx5 n THR 110 Ca -0.08 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1qx5 n THR 110 Cb 0.14 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1qx5 n THR 110 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qx5 n ASN 111 N -0.09 0.00 0.02 3.42 2.85 -0.94 -4.78 115.26 115.75 1qx5 n ASN 111 Ca 0.31 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.60 1qx5 n ASN 111 Cb 1.14 0.17 -0.11 0.00 1.24 0.00 0.00 39.78 42.21 1qx5 n ASN 111 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1qx5 h LEU 112 N 0.00 0.64 0.00 1.20 5.85 -1.13 -3.12 115.31 118.75 1qx5 h LEU 112 Ca 0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1qx5 h LEU 112 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1qx5 h LEU 112 CO 0.00 1.33 0.00 0.61 -0.34 0.00 0.00 178.44 180.04 1qx5 n GLY 113 N 1.13 -0.76 0.13 3.75 0.00 -0.16 -2.29 105.19 106.99 1qx5 n GLY 113 Ca -0.11 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1qx5 n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qx5 h GLU 114 N 0.00 0.23 0.00 1.61 4.39 -1.67 -3.35 114.58 115.79 1qx5 h GLU 114 Ca 0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1qx5 h GLU 114 Cb 0.14 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1qx5 h GLU 114 CO 0.00 1.19 0.00 1.63 -1.16 0.00 0.00 179.01 180.67 1qx5 n LYS 115 N -3.72 1.00 -3.93 2.33 5.02 -0.97 -4.85 118.16 113.04 1qx5 n LYS 115 Ca -0.30 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 55.90 1qx5 n LYS 115 Cb 0.97 -1.13 -0.09 0.00 -0.02 0.00 0.00 35.03 34.76 1qx5 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qx5 s LEU 116 N -1.27 1.76 0.18 -0.35 1.43 -1.19 -5.10 118.68 114.14 1qx5 s LEU 116 Ca 0.13 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1qx5 s LEU 116 Cb 0.06 0.71 -0.04 0.00 0.03 0.00 0.00 46.19 46.94 1qx5 s LEU 116 CO 0.10 -0.60 -0.18 0.42 0.23 0.00 0.00 176.35 176.32 1qx5 s THR 117 N -3.25 1.85 0.27 5.49 -4.23 -1.26 -4.85 115.64 109.66 1qx5 s THR 117 Ca 0.00 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 1qx5 s THR 117 Cb 0.03 -1.92 0.43 0.00 1.34 0.00 0.00 72.50 72.37 1qx5 s THR 117 CO -0.08 -0.38 1.57 0.44 -0.54 0.00 0.00 174.62 175.63 1qx5 h ASP 118 N 3.03 -0.84 -0.40 3.99 3.45 -2.00 0.68 116.42 124.32 1qx5 h ASP 118 Ca -0.41 0.28 0.05 0.00 0.43 0.00 0.00 57.03 57.38 1qx5 h ASP 118 Cb 1.21 0.58 -0.05 0.00 -0.56 0.00 0.00 39.33 40.51 1qx5 h ASP 118 CO 0.54 -0.31 0.13 -0.08 -1.57 0.00 0.00 179.24 177.95 1qx5 h GLU 119 N 0.00 0.28 -0.83 3.56 4.57 -2.00 -1.80 114.58 118.36 1qx5 h GLU 119 Ca 0.47 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1qx5 h GLU 119 Cb 0.74 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 1qx5 h GLU 119 CO -0.97 0.18 0.52 0.93 -1.18 0.00 0.00 179.01 178.49 1qx5 h GLU 120 N 0.29 1.11 -0.12 1.92 5.08 -0.05 -1.61 114.58 121.20 1qx5 h GLU 120 Ca 0.19 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1qx5 h GLU 120 Cb 0.18 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1qx5 h GLU 120 CO -0.20 0.77 0.05 0.28 -1.00 0.00 0.00 179.01 178.91 1qx5 h VAL 121 N 1.14 1.13 -0.17 3.13 2.07 -0.41 -2.02 116.25 121.13 1qx5 h VAL 121 Ca 0.30 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1qx5 h VAL 121 Cb -0.07 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1qx5 h VAL 121 CO -0.06 0.12 -0.09 0.44 0.02 0.00 0.00 177.57 178.00 1qx5 h ASP 122 N 0.05 0.24 0.05 0.57 3.45 -1.27 -1.21 116.42 118.30 1qx5 h ASP 122 Ca 0.04 -0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 1qx5 h ASP 122 Cb 0.14 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1qx5 h ASP 122 CO -0.00 0.36 -0.51 -0.08 -1.57 0.00 0.00 179.24 177.44 1qx5 h GLU 123 N 0.25 0.51 -0.16 3.56 4.81 -1.13 -1.26 114.58 121.16 1qx5 h GLU 123 Ca 0.05 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 1qx5 h GLU 123 Cb 0.32 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1qx5 h GLU 123 CO 0.02 0.90 -0.14 0.52 -0.73 0.00 0.00 179.01 179.58 1qx5 h MET 124 N 0.40 0.38 -0.70 1.92 2.86 -0.85 -2.15 114.93 116.79 1qx5 h MET 124 Ca 0.02 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1qx5 h MET 124 Cb 1.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 1qx5 h MET 124 CO 0.09 0.74 0.38 0.82 1.06 0.00 0.00 176.91 180.00 1qx5 h ILE 125 N 0.02 1.22 -0.53 -1.22 2.04 -1.16 -1.03 117.51 116.86 1qx5 h ILE 125 Ca 0.03 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1qx5 h ILE 125 Cb 0.66 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1qx5 h ILE 125 CO 0.04 0.24 0.34 -0.09 0.00 0.00 0.00 178.15 178.67 1qx5 h ARG 126 N 0.97 0.66 -0.17 2.37 2.43 -1.17 -2.73 114.38 116.73 1qx5 h ARG 126 Ca 0.25 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1qx5 h ARG 126 Cb 0.05 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1qx5 h ARG 126 CO -0.04 0.43 -0.45 0.93 -1.51 0.00 0.00 179.97 179.34 1qx5 h GLU 127 N 0.68 0.42 -7.31 0.20 4.39 -0.99 -3.47 114.58 108.50 1qx5 h GLU 127 Ca 0.20 -0.22 -0.51 0.00 0.34 0.00 0.00 59.36 59.17 1qx5 h GLU 127 Cb -0.03 0.01 0.09 0.00 -0.10 0.00 0.00 28.75 28.71 1qx5 h GLU 127 CO -0.07 0.79 0.37 0.00 -1.16 0.00 0.00 179.01 178.94 1qx5 s ALA 128 N -4.12 2.71 -0.59 3.43 0.00 -0.43 -5.00 121.76 117.76 1qx5 s ALA 128 Ca -0.06 0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.77 1qx5 s ALA 128 Cb 0.12 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 20.10 1qx5 s ALA 128 CO 0.81 -1.12 1.10 -0.51 0.00 0.00 0.00 175.76 176.04 1qx5 s ASP 129 N -3.62 6.36 -0.29 0.00 1.11 -1.26 -4.96 116.67 114.00 1qx5 s ASP 129 Ca 0.59 -0.19 -0.15 0.00 0.18 0.00 0.00 52.55 52.97 1qx5 s ASP 129 Cb -0.14 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1qx5 s ASP 129 CO 0.51 -1.43 0.38 -0.63 1.18 0.00 0.00 175.17 175.18 1qx5 s ILE 130 N 4.64 5.16 1.17 0.77 -1.09 -1.26 -4.52 121.20 126.08 1qx5 s ILE 130 Ca 0.36 0.42 -0.20 0.00 -2.23 0.00 0.00 60.65 59.01 1qx5 s ILE 130 Cb -0.10 -3.74 0.29 0.00 -1.58 0.00 0.00 42.46 37.32 1qx5 s ILE 130 CO 0.21 0.07 1.18 -0.90 -1.23 0.00 0.00 174.94 174.27 1qx5 n ASP 131 N 5.37 -1.47 0.00 3.58 5.68 0.05 -4.83 116.55 124.93 1qx5 n ASP 131 Ca -0.08 -1.27 0.03 0.00 -0.50 0.00 0.00 54.79 52.97 1qx5 n ASP 131 Cb 0.50 -1.02 0.18 0.00 -1.14 0.00 0.00 41.12 39.64 1qx5 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qx5 n GLY 132 N -4.57 -0.50 1.20 6.12 0.00 -1.26 -2.07 105.19 104.11 1qx5 n GLY 132 Ca 0.16 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1qx5 n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qx5 n ASP 133 N -1.27 4.16 -0.58 1.61 10.43 -1.26 -4.04 116.55 125.60 1qx5 n ASP 133 Ca 0.03 -2.51 -0.08 0.00 2.57 0.00 0.00 54.79 54.81 1qx5 n ASP 133 Cb 0.05 -0.49 -0.03 0.00 1.84 0.00 0.00 41.12 42.49 1qx5 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qx5 n GLY 134 N 0.54 0.96 3.66 0.44 0.00 -0.88 -4.93 105.19 104.98 1qx5 n GLY 134 Ca 0.21 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.64 3.30 0.01 1.61 2.00 -1.26 -4.87 119.66 117.81 1qx5 s GLN 135 Ca 0.00 -0.39 -0.01 0.00 -2.00 0.00 0.00 55.36 52.95 1qx5 s GLN 135 Cb 0.00 -2.92 -0.01 0.00 0.80 0.00 0.00 33.01 30.88 1qx5 s GLN 135 CO 0.00 0.56 0.01 0.54 -0.50 0.00 0.00 175.29 175.90 1qx5 s VAL 136 N -0.48 0.09 -0.15 1.34 0.11 -1.26 -0.77 120.40 119.27 1qx5 s VAL 136 Ca 0.09 -0.72 -0.29 0.00 -2.93 0.00 0.00 61.98 58.13 1qx5 s VAL 136 Cb -0.12 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1qx5 s VAL 136 CO 0.02 -0.39 1.09 0.21 -3.33 0.00 0.00 175.10 172.70 1qx5 s ASN 137 N -1.20 7.12 0.13 3.54 3.84 -1.26 -4.94 114.94 122.18 1qx5 s ASN 137 Ca -0.13 1.55 0.21 0.00 0.21 0.00 0.00 52.86 54.70 1qx5 s ASN 137 Cb -0.08 -2.55 0.85 0.00 -0.55 0.00 0.00 41.25 38.92 1qx5 s ASN 137 CO -0.00 -0.59 1.64 0.00 -2.79 0.00 0.00 177.10 175.36 1qx5 n TYR 138 N 5.71 0.45 0.29 0.43 0.18 -1.26 -2.16 117.16 120.80 1qx5 n TYR 138 Ca 0.11 0.17 0.17 0.00 1.88 0.00 0.00 57.90 60.23 1qx5 n TYR 138 Cb 0.47 -0.77 0.69 0.00 -0.38 0.00 0.00 39.34 39.35 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 0.00 -0.14 -3.48 4.39 -1.98 -1.51 114.58 111.86 1qx5 h GLU 139 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1qx5 h GLU 139 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1qx5 h GLU 139 CO 0.00 0.00 -0.26 0.93 -1.16 0.00 0.00 179.01 178.52 1qx5 h GLU 140 N 0.00 0.42 -0.12 2.33 5.08 -1.85 -1.43 114.58 119.02 1qx5 h GLU 140 Ca 0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1qx5 h GLU 140 Cb 0.48 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1qx5 h GLU 140 CO 0.00 0.87 0.03 0.74 -1.00 0.00 0.00 179.01 179.65 1qx5 h PHE 141 N 0.03 0.20 -0.55 4.33 0.04 -1.61 -2.22 116.94 117.16 1qx5 h PHE 141 Ca 0.01 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.86 1qx5 h PHE 141 Cb 0.85 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 38.84 1qx5 h PHE 141 CO 0.10 0.36 -0.09 0.28 -0.60 0.00 0.00 178.31 178.35 1qx5 h VAL 142 N -0.01 0.48 -0.61 -0.55 2.07 -1.25 0.32 116.25 116.71 1qx5 h VAL 142 Ca 0.04 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1qx5 h VAL 142 Cb 0.26 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1qx5 h VAL 142 CO 0.00 0.01 0.32 -0.61 0.02 0.00 0.00 177.57 177.30 1qx5 h GLN 143 N 0.04 0.86 0.00 1.57 4.15 -1.16 -1.88 115.11 118.68 1qx5 h GLN 143 Ca 0.27 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 1qx5 h GLN 143 Cb 0.42 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1qx5 h GLN 143 CO -0.54 0.67 -0.16 0.52 -1.93 0.00 0.00 178.83 177.39 1qx5 h MET 144 N 0.82 0.00 -0.23 1.69 2.86 -0.59 -1.11 114.93 118.37 1qx5 h MET 144 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1qx5 h MET 144 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1qx5 h MET 144 CO -0.03 0.16 0.00 -1.33 1.06 0.00 0.00 176.91 176.77 1qx5 n MET 145 N -4.03 1.79 0.00 1.72 2.81 -0.02 -5.10 117.12 114.29 1qx5 n MET 145 Ca -0.02 -1.20 0.06 0.00 -1.81 0.00 0.00 57.70 54.72 1qx5 n MET 145 Cb 0.24 -1.37 0.05 0.00 -0.71 0.00 0.00 33.22 31.43 1qx5 n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89