#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 3.70 0.08 -1.24 1.03 -1.26 -4.85 119.66 117.11 1qx5 s GLN 3 Ca 0.00 0.43 -0.32 0.00 0.04 0.00 0.00 55.36 55.51 1qx5 s GLN 3 Cb 0.00 -2.35 -0.11 0.00 0.03 0.00 0.00 33.01 30.58 1qx5 s GLN 3 CO 0.00 -0.14 1.85 1.28 -2.54 0.00 0.00 175.29 175.74 1qx5 n LEU 4 N -1.72 3.91 0.00 2.60 4.77 -1.26 -4.98 117.00 120.32 1qx5 n LEU 4 Ca 0.02 0.98 -0.14 0.00 -0.03 0.00 0.00 56.01 56.84 1qx5 n LEU 4 Cb 0.54 -1.51 0.12 0.00 -2.33 0.00 0.00 43.42 40.24 1qx5 n LEU 4 CO 0.50 0.11 0.28 0.35 -1.33 0.00 0.00 177.39 177.30 1qx5 n THR 5 N 4.83 0.00 -0.01 -5.08 -2.24 -1.26 -4.76 114.28 105.76 1qx5 n THR 5 Ca 0.19 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1qx5 n THR 5 Cb 0.36 -1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 1qx5 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qx5 h GLU 6 N 0.00 0.76 -0.13 -0.78 4.39 -1.99 -2.73 114.58 114.10 1qx5 h GLU 6 Ca -0.19 -0.64 0.01 0.00 0.34 0.00 0.00 59.36 58.88 1qx5 h GLU 6 Cb 0.58 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1qx5 h GLU 6 CO 0.12 1.24 0.06 0.93 -1.16 0.00 0.00 179.01 180.21 1qx5 h GLU 7 N 0.51 0.14 0.70 2.33 5.08 -2.00 -1.74 114.58 119.60 1qx5 h GLU 7 Ca -0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1qx5 h GLU 7 Cb 1.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1qx5 h GLU 7 CO 0.16 0.09 -0.39 1.96 -1.00 0.00 0.00 179.01 179.83 1qx5 h GLN 8 N 0.14 -0.98 -0.96 2.33 4.20 -1.92 -2.09 115.11 115.84 1qx5 h GLN 8 Ca 0.05 0.07 0.21 0.00 0.06 0.00 0.00 58.65 59.04 1qx5 h GLN 8 Cb 0.01 0.22 -0.18 0.00 0.30 0.00 0.00 27.48 27.83 1qx5 h GLN 8 CO -0.03 -0.65 -0.17 0.82 -0.67 0.00 0.00 178.83 178.13 1qx5 h ILE 9 N -1.01 0.05 -0.21 2.54 2.04 -1.46 0.33 117.51 119.78 1qx5 h ILE 9 Ca -0.10 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1qx5 h ILE 9 Cb 0.80 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1qx5 h ILE 9 CO 0.12 0.00 0.14 0.00 0.00 0.00 0.00 178.15 178.41 1qx5 h ALA 10 N 1.95 0.27 0.32 1.87 0.00 -1.17 0.16 119.26 122.66 1qx5 h ALA 10 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1qx5 h ALA 10 Cb 0.83 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1qx5 h ALA 10 CO -0.96 -0.26 -0.17 1.49 0.00 0.00 0.00 179.25 179.35 1qx5 h GLU 11 N 0.28 -0.44 -0.80 0.00 4.81 -0.01 0.83 114.58 119.27 1qx5 h GLU 11 Ca 0.08 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.45 1qx5 h GLU 11 Cb -0.03 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1qx5 h GLU 11 CO -0.02 -0.29 0.52 0.74 -0.73 0.00 0.00 179.01 179.23 1qx5 h PHE 12 N -0.46 0.72 -0.23 0.92 0.05 -0.30 0.07 116.94 117.72 1qx5 h PHE 12 Ca -0.04 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.72 1qx5 h PHE 12 Cb 0.36 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.08 1qx5 h PHE 12 CO -0.07 0.31 -0.07 -0.22 -0.18 0.00 0.00 178.31 178.08 1qx5 h LYS 13 N 0.65 0.45 -0.18 1.51 3.11 -0.03 -1.10 116.57 120.97 1qx5 h LYS 13 Ca 0.38 -0.18 0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1qx5 h LYS 13 Cb 0.58 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.77 1qx5 h LYS 13 CO -0.15 0.70 0.07 1.49 -2.81 0.00 0.00 179.45 178.75 1qx5 h GLU 14 N 0.17 0.16 -0.06 1.90 4.81 0.43 0.05 114.58 122.04 1qx5 h GLU 14 Ca 0.06 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1qx5 h GLU 14 Cb 0.54 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1qx5 h GLU 14 CO 0.03 0.11 -0.04 0.00 -0.73 0.00 0.00 179.01 178.37 1qx5 h ALA 15 N 1.10 0.01 -0.72 2.92 0.00 -0.95 -1.66 119.26 119.97 1qx5 h ALA 15 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1qx5 h ALA 15 Cb 0.03 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1qx5 h ALA 15 CO -0.07 -0.52 0.44 0.35 0.00 0.00 0.00 179.25 179.46 1qx5 h PHE 16 N -0.05 0.82 -0.05 0.00 3.57 -0.93 -2.38 116.94 117.93 1qx5 h PHE 16 Ca 0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1qx5 h PHE 16 Cb 0.11 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1qx5 h PHE 16 CO -0.15 0.45 -0.31 1.03 -2.23 0.00 0.00 178.31 177.11 1qx5 h SER 17 N 0.85 0.08 0.15 0.41 0.87 -0.66 -2.95 113.55 112.29 1qx5 h SER 17 Ca 0.30 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1qx5 h SER 17 Cb 0.06 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1qx5 h SER 17 CO -0.13 0.40 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.43 1qx5 h LEU 18 N 0.08 -0.17 -3.36 2.23 3.38 -0.77 -3.07 115.31 113.62 1qx5 h LEU 18 Ca 0.01 -0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.59 1qx5 h LEU 18 Cb 0.59 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.20 1qx5 h LEU 18 CO 0.04 -0.02 0.38 0.49 0.09 0.00 0.00 178.44 179.43 1qx5 n PHE 19 N -5.13 2.13 -3.60 1.13 3.72 -1.17 -4.56 117.46 109.99 1qx5 n PHE 19 Ca -0.09 -1.30 -0.29 0.00 -0.05 0.00 0.00 57.45 55.73 1qx5 n PHE 19 Cb 0.15 -0.69 -0.09 0.00 -0.94 0.00 0.00 39.48 37.90 1qx5 n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1qx5 n ASP 20 N -0.47 3.67 -0.29 4.37 2.03 -1.12 -4.77 116.55 119.97 1qx5 n ASP 20 Ca 0.39 -3.34 0.06 0.00 0.52 0.00 0.00 54.79 52.43 1qx5 n ASP 20 Cb 1.29 -0.77 0.21 0.00 -0.72 0.00 0.00 41.12 41.13 1qx5 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1qx5 h LYS 21 N 4.83 0.65 -0.33 -0.67 1.57 -1.83 -2.43 116.57 118.37 1qx5 h LYS 21 Ca 0.18 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1qx5 h LYS 21 Cb 0.70 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1qx5 h LYS 21 CO 0.82 0.43 0.03 -0.44 -0.57 0.00 0.00 179.45 179.72 1qx5 h ASP 22 N 0.67 -0.06 -0.99 0.86 3.32 -1.93 -3.47 116.42 114.83 1qx5 h ASP 22 Ca 0.45 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1qx5 h ASP 22 Cb 0.57 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1qx5 h ASP 22 CO -0.33 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 177.81 1qx5 n GLY 23 N -1.23 0.87 0.00 2.75 0.00 -0.91 -4.97 105.19 101.69 1qx5 n GLY 23 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.84 0.29 0.00 1.61 5.75 -1.26 -5.01 116.55 118.76 1qx5 n ASP 24 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 1qx5 n ASP 24 Cb 0.41 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 1qx5 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qx5 n GLY 25 N 0.64 1.00 3.04 6.12 0.00 -1.26 -4.98 105.19 109.75 1qx5 n GLY 25 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.76 0.71 2.61 -4.23 -1.24 -1.23 115.64 112.03 1qx5 s THR 26 Ca 0.00 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1qx5 s THR 26 Cb 0.00 -1.69 0.14 0.00 1.34 0.00 0.00 72.50 72.29 1qx5 s THR 26 CO 0.00 0.38 0.98 -0.51 -0.54 0.00 0.00 174.62 174.93 1qx5 s ILE 27 N 1.39 2.01 0.02 2.99 1.10 -0.99 -4.79 121.20 122.92 1qx5 s ILE 27 Ca 0.03 -0.72 -0.00 0.00 -0.51 0.00 0.00 60.65 59.44 1qx5 s ILE 27 Cb -0.14 -2.28 -0.04 0.00 0.15 0.00 0.00 42.46 40.15 1qx5 s ILE 27 CO -0.10 0.00 0.12 -0.89 -2.11 0.00 0.00 174.94 171.96 1qx5 s THR 28 N -3.07 4.96 0.35 4.00 2.01 -1.26 -3.43 115.64 119.20 1qx5 s THR 28 Ca 0.67 -0.41 0.16 0.00 0.31 0.00 0.00 61.69 62.42 1qx5 s THR 28 Cb -0.04 -3.32 0.34 0.00 0.01 0.00 0.00 72.50 69.48 1qx5 s THR 28 CO 0.44 0.27 1.64 0.00 -0.69 0.00 0.00 174.62 176.28 1qx5 h THR 29 N 2.84 0.21 0.02 -0.82 1.03 -0.86 0.96 112.91 116.29 1qx5 h THR 29 Ca -0.48 -0.08 -0.32 0.00 -0.01 0.00 0.00 66.41 65.53 1qx5 h THR 29 Cb 1.18 -0.04 -0.05 0.00 -1.07 0.00 0.00 68.15 68.17 1qx5 h THR 29 CO 0.66 0.04 -1.87 1.17 -0.01 0.00 0.00 175.52 175.52 1qx5 n LYS 30 N -5.12 0.66 0.24 0.00 4.81 -1.26 -3.95 118.16 113.55 1qx5 n LYS 30 Ca 0.33 0.25 0.13 0.00 -0.87 0.00 0.00 58.31 58.15 1qx5 n LYS 30 Cb 1.07 -1.74 0.68 0.00 0.02 0.00 0.00 35.03 35.06 1qx5 n LYS 30 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1qx5 h GLU 31 N 0.01 0.00 -0.55 1.64 5.08 -1.07 0.28 114.58 119.98 1qx5 h GLU 31 Ca -0.35 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.90 1qx5 h GLU 31 Cb 2.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 1qx5 h GLU 31 CO 0.07 0.00 -0.08 1.25 -1.00 0.00 0.00 179.01 179.24 1qx5 h LEU 32 N 0.00 1.02 -0.37 1.33 5.85 -1.56 -1.56 115.31 120.01 1qx5 h LEU 32 Ca 0.00 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1qx5 h LEU 32 Cb 0.41 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1qx5 h LEU 32 CO 0.00 1.12 0.22 1.23 -0.34 0.00 0.00 178.44 180.66 1qx5 h GLY 33 N 0.95 0.55 0.54 3.75 0.00 -0.66 0.12 103.07 108.31 1qx5 h GLY 33 Ca 0.15 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.30 1qx5 h GLY 33 CO 0.04 0.23 0.03 -0.84 0.00 0.00 0.00 176.54 176.00 1qx5 h THR 34 N 0.48 0.79 -0.11 4.70 2.02 -1.46 -2.16 112.91 117.18 1qx5 h THR 34 Ca 0.13 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1qx5 h THR 34 Cb 0.02 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1qx5 h THR 34 CO -0.02 0.02 0.03 0.58 0.37 0.00 0.00 175.52 176.50 1qx5 h VAL 35 N 0.13 1.19 -0.99 3.16 2.07 -0.92 -1.52 116.25 119.38 1qx5 h VAL 35 Ca 0.16 -0.60 0.18 0.00 0.82 0.00 0.00 66.70 67.26 1qx5 h VAL 35 Cb 0.20 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.26 1qx5 h VAL 35 CO -0.24 0.17 0.61 0.24 0.02 0.00 0.00 177.57 178.38 1qx5 h MET 36 N -0.02 0.74 0.00 1.57 2.86 -0.60 0.04 114.93 119.52 1qx5 h MET 36 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1qx5 h MET 36 Cb 0.25 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1qx5 h MET 36 CO 0.00 0.49 -0.51 2.89 1.06 0.00 0.00 176.91 180.84 1qx5 n ARG 37 N -4.69 0.11 0.00 1.72 1.85 -0.83 -2.26 116.66 112.56 1qx5 n ARG 37 Ca 0.22 0.03 0.15 0.00 -1.00 0.00 0.00 57.85 57.25 1qx5 n ARG 37 Cb 0.54 -1.57 0.86 0.00 -1.05 0.00 0.00 32.46 31.24 1qx5 n ARG 37 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1qx5 n SER 38 N -1.72 0.00 -0.68 2.89 3.41 -0.02 -2.60 113.62 114.90 1qx5 n SER 38 Ca 0.05 -0.59 0.06 0.00 -0.26 0.00 0.00 58.87 58.13 1qx5 n SER 38 Cb 0.37 -0.14 0.17 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.14 3.06 0.00 1.04 4.77 -1.08 -4.96 117.00 118.69 1qx5 n LEU 39 Ca 0.19 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 1qx5 n LEU 39 Cb 0.17 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1qx5 n LEU 39 CO 0.20 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1qx5 n GLY 40 N 0.43 0.60 3.47 -0.72 0.00 -1.07 -5.04 105.19 102.86 1qx5 n GLY 40 Ca 0.13 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.62 3.57 -0.63 1.61 -1.52 -0.96 -4.29 119.66 116.83 1qx5 s GLN 41 Ca 0.00 -0.56 0.03 0.00 -1.95 0.00 0.00 55.36 52.88 1qx5 s GLN 41 Cb 0.00 -2.83 0.15 0.00 -0.22 0.00 0.00 33.01 30.11 1qx5 s GLN 41 CO 0.00 0.26 0.41 1.21 -0.25 0.00 0.00 175.29 176.91 1qx5 s ASN 42 N 0.30 4.74 0.38 5.90 3.04 -1.26 -2.79 114.94 125.24 1qx5 s ASN 42 Ca -0.05 -3.36 -0.14 0.00 0.04 0.00 0.00 52.86 49.34 1qx5 s ASN 42 Cb -0.14 -1.68 -0.08 0.00 -1.54 0.00 0.00 41.25 37.80 1qx5 s ASN 42 CO 0.04 -0.19 0.80 -2.16 -3.04 0.00 0.00 177.10 172.54 1qx5 s PRO 43 N -0.78 3.95 0.82 0.43 0.04 -1.26 -5.08 135.00 133.12 1qx5 s PRO 43 Ca 0.21 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 1qx5 s PRO 43 Cb -0.16 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.10 1qx5 s PRO 43 CO -0.07 0.03 1.12 0.95 0.04 0.00 0.00 177.00 179.07 1qx5 s THR 44 N -2.20 2.65 0.36 1.26 -4.23 -1.26 -4.80 115.64 107.42 1qx5 s THR 44 Ca 0.55 0.21 0.30 0.00 -1.18 0.00 0.00 61.69 61.56 1qx5 s THR 44 Cb -0.10 -3.05 0.32 0.00 1.34 0.00 0.00 72.50 71.01 1qx5 s THR 44 CO 0.23 -0.27 2.06 -0.08 -0.54 0.00 0.00 174.62 176.02 1qx5 h GLU 45 N -1.12 0.00 0.05 3.99 4.57 -1.97 0.20 114.58 120.29 1qx5 h GLU 45 Ca -0.47 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1qx5 h GLU 45 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1qx5 h GLU 45 CO 0.62 0.10 -0.02 0.00 -1.18 0.00 0.00 179.01 178.53 1qx5 h ALA 46 N 1.90 -0.07 -0.98 2.92 0.00 -1.99 -2.76 119.26 118.29 1qx5 h ALA 46 Ca -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1qx5 h ALA 46 Cb 0.38 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1qx5 h ALA 46 CO 0.01 -0.12 0.64 0.93 0.00 0.00 0.00 179.25 180.71 1qx5 h GLU 47 N -0.90 1.23 0.00 0.00 5.08 -1.84 0.22 114.58 118.36 1qx5 h GLU 47 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1qx5 h GLU 47 Cb 0.64 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1qx5 h GLU 47 CO 0.01 0.81 0.00 -0.07 -1.00 0.00 0.00 179.01 178.77 1qx5 h LEU 48 N 1.27 0.00 0.19 1.33 3.38 -0.69 -2.64 115.31 118.15 1qx5 h LEU 48 Ca 0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.01 1qx5 h LEU 48 Cb -0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1qx5 h LEU 48 CO -0.11 0.00 -1.67 -0.61 0.09 0.00 0.00 178.44 176.14 1qx5 h GLN 49 N 0.00 0.40 -0.94 1.13 5.75 -0.29 -3.00 115.11 118.17 1qx5 h GLN 49 Ca 0.00 -0.69 0.13 0.00 -0.15 0.00 0.00 58.65 57.94 1qx5 h GLN 49 Cb 0.24 0.26 -0.08 0.00 1.07 0.00 0.00 27.48 28.97 1qx5 h GLN 49 CO 0.00 1.33 0.60 -0.44 -2.65 0.00 0.00 178.83 177.67 1qx5 h ASP 50 N 0.07 0.79 -0.07 -0.69 5.19 -1.01 0.87 116.42 121.56 1qx5 h ASP 50 Ca -0.33 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 1qx5 h ASP 50 Cb 2.07 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 41.46 1qx5 h ASP 50 CO 0.18 0.42 -0.01 0.24 -3.12 0.00 0.00 179.24 176.95 1qx5 h MET 51 N 0.85 0.13 -0.11 3.56 2.86 -1.60 0.47 114.93 121.09 1qx5 h MET 51 Ca 0.46 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.95 1qx5 h MET 51 Cb 0.57 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1qx5 h MET 51 CO -0.23 0.43 -0.40 0.82 1.06 0.00 0.00 176.91 178.59 1qx5 h ILE 52 N -0.18 1.31 0.09 -1.22 2.04 -1.22 -2.60 117.51 115.72 1qx5 h ILE 52 Ca 0.02 -1.50 -0.29 0.00 1.00 0.00 0.00 64.86 64.08 1qx5 h ILE 52 Cb 0.37 1.67 0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1qx5 h ILE 52 CO 0.01 0.45 -1.20 0.78 0.00 0.00 0.00 178.15 178.19 1qx5 h ASN 53 N 0.21 0.89 -0.75 1.72 -0.26 -0.85 -2.97 115.58 113.56 1qx5 h ASN 53 Ca 0.02 -0.79 0.05 0.00 -0.56 0.00 0.00 56.30 55.02 1qx5 h ASN 53 Cb 0.81 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.75 1qx5 h ASN 53 CO 0.06 1.59 0.50 -0.08 -1.06 0.00 0.00 177.43 178.44 1qx5 h GLU 54 N 0.31 0.84 0.00 0.81 4.57 -0.82 -3.27 114.58 117.02 1qx5 h GLU 54 Ca -0.17 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1qx5 h GLU 54 Cb 1.86 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 1qx5 h GLU 54 CO 0.23 0.56 0.00 0.28 -1.18 0.00 0.00 179.01 178.90 1qx5 n VAL 55 N -4.47 0.00 -1.98 0.32 0.31 -0.99 -4.74 118.33 106.79 1qx5 n VAL 55 Ca 0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.05 1qx5 n VAL 55 Cb 0.16 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.04 1qx5 n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1qx5 n ASP 56 N 0.00 3.71 -1.65 4.52 10.43 -1.13 -4.74 116.55 127.69 1qx5 n ASP 56 Ca 0.00 -2.79 -0.04 0.00 2.57 0.00 0.00 54.79 54.53 1qx5 n ASP 56 Cb 0.00 -1.60 -0.05 0.00 1.84 0.00 0.00 41.12 41.31 1qx5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1qx5 n ALA 57 N 9.49 4.72 -2.20 2.24 0.00 -1.23 -3.47 120.51 130.06 1qx5 n ALA 57 Ca 0.49 -0.56 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1qx5 n ALA 57 Cb 0.44 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.78 0.34 -3.03 0.00 3.85 -1.26 -5.02 116.55 113.22 1qx5 n ASP 58 Ca 0.13 -1.93 -0.17 0.00 -0.71 0.00 0.00 54.79 52.12 1qx5 n ASP 58 Cb 0.62 -0.19 -0.01 0.00 -1.35 0.00 0.00 41.12 40.19 1qx5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qx5 n GLY 59 N 0.20 -0.48 0.11 6.12 0.00 -1.23 -4.81 105.19 105.11 1qx5 n GLY 59 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1qx5 n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qx5 h ASN 60 N -0.48 0.04 0.00 1.61 -0.26 -1.96 -3.47 115.58 111.06 1qx5 h ASN 60 Ca -0.31 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 1qx5 h ASN 60 Cb 1.21 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1qx5 h ASN 60 CO 0.39 0.82 0.00 0.61 -1.06 0.00 0.00 177.43 178.19 1qx5 n GLY 61 N 0.75 1.53 2.68 2.83 0.00 -1.26 -5.01 105.19 106.72 1qx5 n GLY 61 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1qx5 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qx5 n THR 62 N -2.00 0.00 -3.62 2.61 -2.24 -1.26 -0.13 114.28 107.64 1qx5 n THR 62 Ca 0.00 -1.72 -0.11 0.00 -2.27 0.00 0.00 64.05 59.95 1qx5 n THR 62 Cb 0.00 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1qx5 n THR 62 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1qx5 s ILE 63 N -2.26 0.00 0.24 2.28 2.07 -1.22 -4.63 121.20 117.69 1qx5 s ILE 63 Ca 0.05 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.12 1qx5 s ILE 63 Cb -0.00 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.50 1qx5 s ILE 63 CO 0.03 0.00 0.70 -1.81 -1.91 0.00 0.00 174.94 171.96 1qx5 s ASP 64 N 0.04 6.95 0.24 4.50 1.11 -1.26 -2.36 116.67 125.89 1qx5 s ASP 64 Ca 0.01 1.33 -0.05 0.00 0.18 0.00 0.00 52.55 54.02 1qx5 s ASP 64 Cb -0.04 -2.39 0.42 0.00 1.07 0.00 0.00 42.92 41.98 1qx5 s ASP 64 CO -0.02 -0.02 1.75 0.15 1.18 0.00 0.00 175.17 178.20 1qx5 h PHE 65 N 3.12 0.58 -0.90 4.23 3.57 -1.55 -2.12 116.94 123.87 1qx5 h PHE 65 Ca -0.48 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.21 1qx5 h PHE 65 Cb 1.19 -0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.69 1qx5 h PHE 65 CO 0.63 0.13 0.49 -1.35 -2.23 0.00 0.00 178.31 175.99 1qx5 h PRO 66 N 0.52 0.66 -0.11 6.41 0.11 -1.94 0.21 132.00 137.87 1qx5 h PRO 66 Ca 0.40 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1qx5 h PRO 66 Cb 0.54 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1qx5 h PRO 66 CO -0.35 0.44 0.02 0.93 -0.21 0.00 0.00 178.00 178.83 1qx5 h GLU 67 N 0.68 0.19 -0.38 1.05 5.08 -1.80 -2.43 114.58 116.97 1qx5 h GLU 67 Ca 0.49 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.88 1qx5 h GLU 67 Cb 0.70 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 1qx5 h GLU 67 CO -0.36 0.39 -0.07 0.35 -1.00 0.00 0.00 179.01 178.32 1qx5 h PHE 68 N -0.05 -0.16 -0.57 4.33 3.04 -0.74 -2.28 116.94 120.51 1qx5 h PHE 68 Ca 0.03 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1qx5 h PHE 68 Cb 0.30 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 1qx5 h PHE 68 CO 0.02 -0.15 0.29 1.25 -2.02 0.00 0.00 178.31 177.71 1qx5 h LEU 69 N 0.02 0.73 -0.27 0.59 5.85 -0.98 -0.35 115.31 120.90 1qx5 h LEU 69 Ca 0.19 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1qx5 h LEU 69 Cb 0.28 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 1qx5 h LEU 69 CO -0.38 0.63 -0.19 0.74 -0.34 0.00 0.00 178.44 178.91 1qx5 h THR 70 N 0.77 0.48 -0.49 1.05 2.02 -0.91 0.93 112.91 116.75 1qx5 h THR 70 Ca 0.20 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 1qx5 h THR 70 Cb 0.08 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1qx5 h THR 70 CO -0.03 0.00 -0.01 -0.03 0.37 0.00 0.00 175.52 175.82 1qx5 h MET 71 N -0.17 0.83 -0.81 6.66 1.85 -1.16 -2.54 114.93 119.60 1qx5 h MET 71 Ca 0.15 -0.23 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 1qx5 h MET 71 Cb 0.39 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.29 1qx5 h MET 71 CO -0.37 0.84 0.44 0.52 -0.40 0.00 0.00 176.91 177.94 1qx5 h MET 72 N 0.77 1.13 -0.33 0.39 2.07 -0.02 -2.77 114.93 116.17 1qx5 h MET 72 Ca 0.15 -0.13 -0.07 0.00 -2.07 0.00 0.00 59.70 57.57 1qx5 h MET 72 Cb 0.48 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 1qx5 h MET 72 CO 0.02 0.83 -0.10 0.00 1.07 0.00 0.00 176.91 178.73 1qx5 h ALA 73 N 1.35 1.20 0.00 6.32 0.00 -0.43 -0.48 119.26 127.22 1qx5 h ALA 73 Ca 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qx5 h ALA 73 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1qx5 h ALA 73 CO -0.05 0.51 0.00 0.07 0.00 0.00 0.00 179.25 179.79 1qx5 h ARG 74 N 0.52 0.00 0.00 0.00 0.11 -1.31 -3.31 114.38 110.38 1qx5 h ARG 74 Ca 0.10 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.08 1qx5 h ARG 74 Cb 0.49 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 1qx5 h ARG 74 CO 0.03 0.00 -1.65 0.36 0.10 0.00 0.00 179.97 178.81 1qx5 n LYS 75 N -2.60 1.22 0.19 0.08 2.85 -1.09 -4.48 118.16 114.33 1qx5 n LYS 75 Ca 0.04 -0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.36 1qx5 n LYS 75 Cb 0.39 -1.29 0.67 0.00 -0.65 0.00 0.00 35.03 34.15 1qx5 n LYS 75 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1qx5 h MET 76 N 0.00 0.00 0.73 -1.58 4.05 -1.18 -2.82 114.93 114.14 1qx5 h MET 76 Ca -0.14 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 1qx5 h MET 76 Cb 1.09 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 1qx5 h MET 76 CO 0.01 0.00 -0.48 0.87 0.23 0.00 0.00 176.91 177.54 1qx5 h LYS 77 N 0.00 -1.10 -2.50 0.39 1.57 -1.79 -3.14 116.57 110.00 1qx5 h LYS 77 Ca 0.00 0.07 -0.73 0.00 -1.87 0.00 0.00 60.65 58.13 1qx5 h LYS 77 Cb 0.06 0.25 -0.15 0.00 0.08 0.00 0.00 32.23 32.48 1qx5 h LYS 77 CO 0.00 -0.73 2.04 -3.47 -0.57 0.00 0.00 179.45 176.71 1qx5 n ASP 78 N -5.45 7.82 -3.93 0.86 2.03 -1.06 -4.87 116.55 111.94 1qx5 n ASP 78 Ca -0.14 -3.22 -0.30 0.00 0.52 0.00 0.00 54.79 51.64 1qx5 n ASP 78 Cb 0.48 -1.32 -0.15 0.00 -0.72 0.00 0.00 41.12 39.41 1qx5 n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1qx5 s THR 79 N -1.70 1.59 0.29 5.18 2.01 -1.19 -5.11 115.64 116.71 1qx5 s THR 79 Ca 0.53 -1.49 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 1qx5 s THR 79 Cb 0.21 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.69 1qx5 s THR 79 CO -0.12 -0.29 0.59 1.51 -0.69 0.00 0.00 174.62 175.62 1qx5 s ASP 80 N 1.32 6.51 0.25 3.53 -4.77 -1.26 -5.01 116.67 117.25 1qx5 s ASP 80 Ca -0.00 0.85 0.17 0.00 -3.30 0.00 0.00 52.55 50.27 1qx5 s ASP 80 Cb -0.19 -2.20 0.05 0.00 -1.09 0.00 0.00 42.92 39.50 1qx5 s ASP 80 CO -0.10 -0.19 1.31 0.77 0.70 0.00 0.00 175.17 177.66 1qx5 h SER 81 N 1.87 0.00 -0.82 2.11 4.64 -2.00 -3.33 113.55 116.02 1qx5 h SER 81 Ca -0.47 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.03 1qx5 h SER 81 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 1qx5 h SER 81 CO 0.67 0.42 0.55 -0.08 -0.87 0.00 0.00 176.83 177.52 1qx5 h GLU 82 N 0.00 0.33 0.24 4.77 4.81 -2.00 -0.33 114.58 122.40 1qx5 h GLU 82 Ca -0.04 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.86 1qx5 h GLU 82 Cb 1.35 -0.07 0.04 0.00 0.63 0.00 0.00 28.75 30.69 1qx5 h GLU 82 CO 0.05 0.22 -1.36 1.49 -0.73 0.00 0.00 179.01 178.67 1qx5 h GLU 83 N 0.34 0.50 -0.43 1.92 4.22 -1.96 -3.06 114.58 116.11 1qx5 h GLU 83 Ca 0.41 -0.86 0.09 0.00 0.08 0.00 0.00 59.36 59.08 1qx5 h GLU 83 Cb 1.09 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1qx5 h GLU 83 CO -0.13 1.41 0.30 0.93 -2.18 0.00 0.00 179.01 179.34 1qx5 h GLU 84 N 0.05 0.20 -0.34 1.92 5.08 -1.25 0.19 114.58 120.43 1qx5 h GLU 84 Ca -0.24 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 57.94 1qx5 h GLU 84 Cb 2.08 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1qx5 h GLU 84 CO 0.26 0.13 -0.45 0.82 -1.00 0.00 0.00 179.01 178.76 1qx5 h ILE 85 N 0.20 1.27 -0.26 3.13 1.08 -1.24 -2.92 117.51 118.77 1qx5 h ILE 85 Ca 0.20 -1.63 -0.09 0.00 -0.39 0.00 0.00 64.86 62.95 1qx5 h ILE 85 Cb 0.53 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1qx5 h ILE 85 CO -0.03 0.54 -0.22 0.03 -0.69 0.00 0.00 178.15 177.78 1qx5 h ARG 86 N 0.72 0.49 0.00 2.37 3.08 -0.69 -2.40 114.38 117.95 1qx5 h ARG 86 Ca 0.04 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1qx5 h ARG 86 Cb 1.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1qx5 h ARG 86 CO 0.11 0.68 0.00 0.39 -1.07 0.00 0.00 179.97 180.07 1qx5 n GLU 87 N -4.14 0.20 -0.06 0.04 -0.58 0.38 -1.52 120.64 114.95 1qx5 n GLU 87 Ca -0.00 0.34 -0.21 0.00 -0.42 0.00 0.00 57.16 56.86 1qx5 n GLU 87 Cb 0.38 -1.83 -0.12 0.00 -0.57 0.00 0.00 31.44 29.30 1qx5 n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qx5 h ALA 88 N 2.38 0.27 -0.06 0.62 0.00 -1.28 -3.34 119.26 117.84 1qx5 h ALA 88 Ca 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 54.91 53.67 1qx5 h ALA 88 Cb 0.49 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1qx5 h ALA 88 CO 0.00 0.79 -0.25 0.74 0.00 0.00 0.00 179.25 180.53 1qx5 h PHE 89 N -0.70 0.11 0.00 0.00 0.05 -1.44 -1.77 116.94 113.20 1qx5 h PHE 89 Ca -0.33 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.44 1qx5 h PHE 89 Cb 1.49 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 39.41 1qx5 h PHE 89 CO 0.11 0.35 0.00 -2.13 -0.18 0.00 0.00 178.31 176.46 1qx5 n ARG 90 N -4.20 0.14 0.16 1.51 0.63 -0.58 -1.75 116.66 112.57 1qx5 n ARG 90 Ca -0.02 0.45 0.02 0.00 -0.92 0.00 0.00 57.85 57.38 1qx5 n ARG 90 Cb 0.33 -1.82 0.23 0.00 0.45 0.00 0.00 32.46 31.66 1qx5 n ARG 90 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1qx5 h VAL 91 N 0.00 1.20 -0.00 5.15 2.07 -1.43 -2.22 116.25 121.02 1qx5 h VAL 91 Ca 0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1qx5 h VAL 91 Cb 0.24 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1qx5 h VAL 91 CO 0.00 0.51 -0.01 0.49 0.02 0.00 0.00 177.57 178.58 1qx5 n PHE 92 N -3.67 0.00 -3.52 1.57 3.72 -0.71 -4.59 117.46 110.26 1qx5 n PHE 92 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1qx5 n PHE 92 Cb 0.58 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.96 1qx5 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qx5 s ASP 93 N -2.23 6.00 0.00 4.37 -1.08 -0.83 -4.38 116.67 118.51 1qx5 s ASP 93 Ca 0.39 -2.76 0.11 0.00 -0.52 0.00 0.00 52.55 49.78 1qx5 s ASP 93 Cb 0.21 -2.03 0.63 0.00 -1.46 0.00 0.00 42.92 40.27 1qx5 s ASP 93 CO 0.41 -0.48 1.16 0.29 0.52 0.00 0.00 175.17 177.07 1qx5 n LYS 94 N 3.75 0.29 -3.08 4.34 4.01 -1.26 -4.22 118.16 121.99 1qx5 n LYS 94 Ca 0.10 0.06 -0.00 0.00 -0.51 0.00 0.00 58.31 57.96 1qx5 n LYS 94 Cb 0.42 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.44 1qx5 n LYS 94 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1qx5 s ASP 95 N -2.20 -1.49 0.00 4.39 1.47 -1.26 -5.05 116.67 112.54 1qx5 s ASP 95 Ca 0.15 -1.03 0.00 0.00 1.18 0.00 0.00 52.55 52.84 1qx5 s ASP 95 Cb 0.08 1.92 0.00 0.00 -0.34 0.00 0.00 42.92 44.57 1qx5 s ASP 95 CO 0.14 -0.13 0.00 0.61 0.68 0.00 0.00 175.17 176.47 1qx5 n GLY 96 N 3.99 0.00 0.26 2.12 0.00 -1.26 -4.53 105.19 105.77 1qx5 n GLY 96 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.33 0.00 1.61 2.04 -1.26 -4.98 115.26 114.00 1qx5 n ASN 97 Ca 0.00 -1.16 0.00 0.00 -0.44 0.00 0.00 54.58 52.98 1qx5 n ASN 97 Cb 0.00 0.38 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 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 0.82 0.66 3.24 4.83 0.00 -1.26 -5.02 105.19 108.46 1qx5 n GLY 98 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.61 2.40 0.23 1.61 2.02 -1.26 -5.12 117.35 114.62 1qx5 s TYR 99 Ca 0.00 -0.81 0.06 0.00 -0.37 0.00 0.00 57.07 55.95 1qx5 s TYR 99 Cb 0.00 -1.59 -0.05 0.00 -0.40 0.00 0.00 41.96 39.92 1qx5 s TYR 99 CO 0.00 -0.28 -0.08 0.96 -1.57 0.00 0.00 175.55 174.58 1qx5 s ILE 100 N 0.04 1.46 -0.28 2.71 -4.36 -1.26 -4.60 121.20 114.91 1qx5 s ILE 100 Ca -0.09 -2.12 -0.29 0.00 -0.26 0.00 0.00 60.65 57.89 1qx5 s ILE 100 Cb -0.15 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.34 1qx5 s ILE 100 CO 0.05 -0.45 1.20 -0.55 0.24 0.00 0.00 174.94 175.43 1qx5 s SER 101 N -3.34 6.84 0.28 4.36 0.15 -1.26 -4.93 113.70 115.80 1qx5 s SER 101 Ca 0.25 1.26 -0.03 0.00 0.70 0.00 0.00 55.95 58.13 1qx5 s SER 101 Cb 0.03 -2.54 0.38 0.00 -1.71 0.00 0.00 66.02 62.18 1qx5 s SER 101 CO 0.08 -0.92 1.94 0.00 1.20 0.00 0.00 173.24 175.53 1qx5 h ALA 102 N 8.54 1.37 -0.63 5.45 0.00 -1.99 -1.34 119.26 130.66 1qx5 h ALA 102 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1qx5 h ALA 102 Cb 1.08 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1qx5 h ALA 102 CO 1.02 0.55 0.41 0.00 0.00 0.00 0.00 179.25 181.23 1qx5 h ALA 103 N 1.44 0.80 -0.23 0.00 0.00 -2.00 -1.41 119.26 117.86 1qx5 h ALA 103 Ca 0.36 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1qx5 h ALA 103 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1qx5 h ALA 103 CO -0.10 0.25 -0.30 0.93 0.00 0.00 0.00 179.25 180.04 1qx5 h GLU 104 N 0.86 0.47 -0.30 0.00 5.08 -1.71 -2.66 114.58 116.31 1qx5 h GLU 104 Ca 0.23 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1qx5 h GLU 104 Cb -0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1qx5 h GLU 104 CO -0.05 0.72 0.02 1.25 -1.00 0.00 0.00 179.01 179.95 1qx5 h LEU 105 N 0.41 0.51 0.32 1.33 5.85 -0.90 -2.52 115.31 120.31 1qx5 h LEU 105 Ca 0.05 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1qx5 h LEU 105 Cb 0.73 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1qx5 h LEU 105 CO 0.06 0.68 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.59 1qx5 h ARG 106 N 0.33 -0.42 -0.18 1.25 2.43 -1.22 -2.22 114.38 114.35 1qx5 h ARG 106 Ca 0.09 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1qx5 h ARG 106 Cb 0.41 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1qx5 h ARG 106 CO 0.01 -0.20 0.12 1.25 -1.51 0.00 0.00 179.97 179.64 1qx5 h HIS 107 N -0.55 0.19 0.00 2.20 2.76 -1.51 0.50 115.15 118.75 1qx5 h HIS 107 Ca -0.04 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 1qx5 h HIS 107 Cb 0.41 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.31 1qx5 h HIS 107 CO -0.02 0.12 -0.40 0.28 -1.30 0.00 0.00 177.93 176.60 1qx5 h VAL 108 N 0.21 1.50 0.06 5.26 2.07 -1.36 -2.96 116.25 121.02 1qx5 h VAL 108 Ca 0.07 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 1qx5 h VAL 108 Cb 0.03 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1qx5 h VAL 108 CO -0.01 0.57 -0.03 0.24 0.02 0.00 0.00 177.57 178.35 1qx5 h MET 109 N -0.34 -0.08 -1.12 1.57 2.86 -1.19 -2.90 114.93 113.73 1qx5 h MET 109 Ca -0.05 0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 57.32 1qx5 h MET 109 Cb 1.15 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.67 1qx5 h MET 109 CO 0.08 0.33 0.36 0.25 1.06 0.00 0.00 176.91 178.99 1qx5 n THR 110 N -4.78 2.28 0.00 2.22 -2.24 0.15 -3.26 114.28 108.64 1qx5 n THR 110 Ca -0.05 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1qx5 n THR 110 Cb 0.21 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.17 0.00 0.05 3.42 4.05 -1.21 -4.75 115.26 116.64 1qx5 n ASN 111 Ca 0.30 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 55.18 1qx5 n ASN 111 Cb 0.97 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.84 1qx5 n ASN 111 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1qx5 h LEU 112 N 0.00 0.30 -0.97 1.20 5.85 -1.34 -3.29 115.31 117.06 1qx5 h LEU 112 Ca 0.00 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1qx5 h LEU 112 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1qx5 h LEU 112 CO 0.00 1.37 -0.24 1.23 -0.34 0.00 0.00 178.44 180.46 1qx5 h GLY 113 N 2.03 0.00 1.09 3.75 0.00 -1.52 -2.40 103.07 106.02 1qx5 h GLY 113 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1qx5 h GLY 113 CO 0.14 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.86 1qx5 n GLU 114 N -3.36 0.79 0.00 4.80 -0.58 -1.24 -2.17 120.64 118.88 1qx5 n GLU 114 Ca 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1qx5 n GLU 114 Cb 0.46 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1qx5 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1qx5 n LYS 115 N -1.05 1.10 -4.21 3.49 5.02 -0.95 -5.02 118.16 116.55 1qx5 n LYS 115 Ca 0.19 -0.31 -0.17 0.00 -2.02 0.00 0.00 58.31 56.01 1qx5 n LYS 115 Cb 0.11 -0.79 -0.13 0.00 -0.02 0.00 0.00 35.03 34.20 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 -0.49 2.17 0.10 -0.35 1.02 -0.92 -5.07 118.68 115.14 1qx5 s LEU 116 Ca 0.00 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 53.82 1qx5 s LEU 116 Cb 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 46.19 45.80 1qx5 s LEU 116 CO 0.00 -0.04 -0.21 0.42 0.02 0.00 0.00 176.35 176.54 1qx5 s THR 117 N -0.88 1.71 0.33 5.49 -4.23 -1.26 -4.71 115.64 112.08 1qx5 s THR 117 Ca -0.02 -1.53 0.18 0.00 -1.18 0.00 0.00 61.69 59.14 1qx5 s THR 117 Cb -0.07 -1.55 0.31 0.00 1.34 0.00 0.00 72.50 72.53 1qx5 s THR 117 CO 0.01 -0.05 1.40 0.47 -0.54 0.00 0.00 174.62 175.90 1qx5 n ASP 118 N 1.11 0.30 0.11 3.99 10.43 -1.26 0.30 116.55 131.53 1qx5 n ASP 118 Ca -0.19 1.47 -0.04 0.00 2.57 0.00 0.00 54.79 58.60 1qx5 n ASP 118 Cb 0.54 -0.71 0.06 0.00 1.84 0.00 0.00 41.12 42.84 1qx5 n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1qx5 h GLU 119 N 0.00 0.02 -0.21 -1.24 4.57 -1.97 -0.69 114.58 115.06 1qx5 h GLU 119 Ca 0.74 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.76 1qx5 h GLU 119 Cb 1.96 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 1qx5 h GLU 119 CO -0.69 0.77 -0.44 0.93 -1.18 0.00 0.00 179.01 178.41 1qx5 h GLU 120 N 0.01 0.66 0.57 1.92 5.08 0.41 0.62 114.58 123.86 1qx5 h GLU 120 Ca -0.01 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1qx5 h GLU 120 Cb 1.35 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.66 1qx5 h GLU 120 CO 0.10 1.06 -0.27 0.28 -1.00 0.00 0.00 179.01 179.17 1qx5 h VAL 121 N 0.36 0.41 0.00 3.13 2.07 -0.88 -0.90 116.25 120.44 1qx5 h VAL 121 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1qx5 h VAL 121 Cb 1.05 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1qx5 h VAL 121 CO 0.10 0.02 -0.00 0.44 0.02 0.00 0.00 177.57 178.15 1qx5 h ASP 122 N -0.86 0.00 0.08 0.57 3.45 -1.15 -2.35 116.42 116.15 1qx5 h ASP 122 Ca -0.08 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.38 1qx5 h ASP 122 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1qx5 h ASP 122 CO 0.13 0.00 -0.04 -0.08 -1.57 0.00 0.00 179.24 177.68 1qx5 h GLU 123 N 0.00 -0.10 -0.09 3.56 4.57 -0.36 -2.96 114.58 119.20 1qx5 h GLU 123 Ca -0.00 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1qx5 h GLU 123 Cb 0.01 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1qx5 h GLU 123 CO 0.00 0.44 -0.03 0.52 -1.18 0.00 0.00 179.01 178.77 1qx5 h MET 124 N -0.89 -0.01 -0.92 1.92 2.86 -0.97 0.11 114.93 117.04 1qx5 h MET 124 Ca -0.01 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.80 1qx5 h MET 124 Cb 0.59 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.15 1qx5 h MET 124 CO 0.02 -0.01 0.51 0.82 1.06 0.00 0.00 176.91 179.31 1qx5 h ILE 125 N -0.01 0.71 0.15 -1.22 2.04 -1.56 0.68 117.51 118.30 1qx5 h ILE 125 Ca 0.04 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1qx5 h ILE 125 Cb 0.07 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1qx5 h ILE 125 CO -0.09 0.12 -0.07 -0.09 0.00 0.00 0.00 178.15 178.02 1qx5 h ARG 126 N 0.68 -0.19 0.00 2.37 2.43 -1.25 -3.15 114.38 115.26 1qx5 h ARG 126 Ca 0.52 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1qx5 h ARG 126 Cb 0.77 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1qx5 h ARG 126 CO -0.38 0.23 0.00 -1.91 -1.51 0.00 0.00 179.97 176.41 1qx5 n GLU 127 N -4.95 0.09 -2.29 0.20 0.00 0.34 -4.79 120.64 109.23 1qx5 n GLU 127 Ca -0.08 0.17 -0.27 0.00 0.00 0.00 0.00 57.16 56.97 1qx5 n GLU 127 Cb 0.26 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.37 1qx5 n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1qx5 s ALA 128 N -2.86 2.98 -0.40 4.31 0.00 0.23 -5.05 121.76 120.98 1qx5 s ALA 128 Ca 0.12 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.42 1qx5 s ALA 128 Cb 0.12 -2.32 0.09 0.00 0.00 0.00 0.00 23.12 21.02 1qx5 s ALA 128 CO 0.31 -2.08 0.19 0.34 0.00 0.00 0.00 175.76 174.52 1qx5 s ASP 129 N -4.88 5.31 0.22 0.00 -1.08 -1.26 -4.98 116.67 110.00 1qx5 s ASP 129 Ca 0.72 -1.78 0.05 0.00 -0.52 0.00 0.00 52.55 51.03 1qx5 s ASP 129 Cb -0.03 -1.86 -0.03 0.00 -1.46 0.00 0.00 42.92 39.54 1qx5 s ASP 129 CO 0.49 -0.50 0.28 -0.63 0.52 0.00 0.00 175.17 175.33 1qx5 s ILE 130 N 1.24 4.95 0.51 4.11 1.01 -1.26 -4.57 121.20 127.19 1qx5 s ILE 130 Ca 0.05 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1qx5 s ILE 130 Cb -0.23 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1qx5 s ILE 130 CO -0.02 -0.29 0.28 -0.90 0.00 0.00 0.00 174.94 174.01 1qx5 n ASP 131 N -1.13 2.87 -0.07 3.58 3.85 -1.08 -4.96 116.55 119.61 1qx5 n ASP 131 Ca -0.08 -2.90 0.00 0.00 -0.71 0.00 0.00 54.79 51.09 1qx5 n ASP 131 Cb 0.57 0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 1qx5 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qx5 n GLY 132 N -1.19 -0.15 0.00 6.12 0.00 -1.26 -1.64 105.19 107.07 1qx5 n GLY 132 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.37 0.15 -0.20 1.61 10.43 -1.26 -4.56 116.55 122.35 1qx5 n ASP 133 Ca 0.00 -0.33 0.00 0.00 2.57 0.00 0.00 54.79 57.03 1qx5 n ASP 133 Cb 0.01 0.69 0.00 0.00 1.84 0.00 0.00 41.12 43.66 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 0.74 1.01 3.54 0.44 0.00 -0.65 -4.78 105.19 105.49 1qx5 n GLY 134 Ca 0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.76 2.38 -0.00 1.61 -1.52 -1.26 -4.92 119.66 113.19 1qx5 s GLN 135 Ca 0.00 -0.81 -0.02 0.00 -1.95 0.00 0.00 55.36 52.58 1qx5 s GLN 135 Cb 0.00 -2.39 -0.00 0.00 -0.22 0.00 0.00 33.01 30.40 1qx5 s GLN 135 CO 0.00 0.58 0.04 0.08 -0.25 0.00 0.00 175.29 175.74 1qx5 s VAL 136 N -0.96 0.05 -0.56 1.09 1.01 -1.26 -2.62 120.40 117.16 1qx5 s VAL 136 Ca 0.16 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1qx5 s VAL 136 Cb -0.11 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1qx5 s VAL 136 CO 0.07 -0.25 1.42 0.21 0.00 0.00 0.00 175.10 176.54 1qx5 s ASN 137 N -0.76 6.13 0.22 3.32 3.84 -1.26 -4.86 114.94 121.57 1qx5 s ASN 137 Ca -0.08 0.31 0.11 0.00 0.21 0.00 0.00 52.86 53.41 1qx5 s ASN 137 Cb -0.05 -2.55 0.62 0.00 -0.55 0.00 0.00 41.25 38.72 1qx5 s ASN 137 CO -0.00 -1.70 1.27 0.00 -2.79 0.00 0.00 177.10 173.88 1qx5 n TYR 138 N 9.57 0.39 0.40 0.43 4.11 -1.26 -0.57 117.16 130.23 1qx5 n TYR 138 Ca 0.13 0.20 0.13 0.00 -0.00 0.00 0.00 57.90 58.36 1qx5 n TYR 138 Cb 0.49 -0.71 0.51 0.00 -0.00 0.00 0.00 39.34 39.63 1qx5 n TYR 138 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1qx5 h GLU 139 N 0.00 0.00 -0.06 -3.48 4.57 -2.00 -2.55 114.58 111.07 1qx5 h GLU 139 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1qx5 h GLU 139 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1qx5 h GLU 139 CO 0.00 0.00 -0.17 0.93 -1.18 0.00 0.00 179.01 178.59 1qx5 h GLU 140 N 0.00 0.21 -0.37 1.92 5.08 -1.23 -2.00 114.58 118.20 1qx5 h GLU 140 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1qx5 h GLU 140 Cb 0.43 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1qx5 h GLU 140 CO 0.00 0.77 0.23 0.74 -1.00 0.00 0.00 179.01 179.75 1qx5 h PHE 141 N -0.31 0.47 -0.23 4.33 0.04 -1.64 -0.26 116.94 119.34 1qx5 h PHE 141 Ca -0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1qx5 h PHE 141 Cb 0.78 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 1qx5 h PHE 141 CO 0.13 0.32 0.01 0.28 -0.60 0.00 0.00 178.31 178.45 1qx5 h VAL 142 N 0.49 0.84 -0.47 -0.55 2.07 -1.51 0.25 116.25 117.36 1qx5 h VAL 142 Ca 0.13 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1qx5 h VAL 142 Cb -0.02 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1qx5 h VAL 142 CO -0.03 0.02 0.09 -0.61 0.02 0.00 0.00 177.57 177.06 1qx5 h GLN 143 N 0.08 0.22 0.16 1.57 4.15 -1.00 -2.14 115.11 118.16 1qx5 h GLN 143 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1qx5 h GLN 143 Cb 0.13 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1qx5 h GLN 143 CO -0.18 0.15 -0.08 0.52 -1.93 0.00 0.00 178.83 177.31 1qx5 h MET 144 N 0.23 -0.21 0.00 1.69 2.86 -0.25 -2.64 114.93 116.61 1qx5 h MET 144 Ca 0.23 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1qx5 h MET 144 Cb 0.30 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1qx5 h MET 144 CO -0.30 -0.03 0.00 -1.33 1.06 0.00 0.00 176.91 176.31 1qx5 n MET 145 N -5.12 0.01 0.00 1.72 2.81 0.80 -5.10 117.12 112.23 1qx5 n MET 145 Ca -0.09 0.49 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 1qx5 n MET 145 Cb 0.16 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1qx5 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73