#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 2.68 0.15 -0.67 -1.52 -1.26 -5.08 119.66 113.96 1qx5 s GLN 3 Ca 0.00 -1.24 -0.25 0.00 -1.95 0.00 0.00 55.36 51.92 1qx5 s GLN 3 Cb 0.00 -2.41 -0.08 0.00 -0.22 0.00 0.00 33.01 30.31 1qx5 s GLN 3 CO 0.00 0.31 0.77 -0.51 -0.25 0.00 0.00 175.29 175.62 1qx5 s LEU 4 N -3.82 4.58 1.05 2.90 1.43 -1.26 -5.06 118.68 118.50 1qx5 s LEU 4 Ca 0.34 1.63 -0.14 0.00 -1.03 0.00 0.00 54.13 54.93 1qx5 s LEU 4 Cb -0.07 -3.29 0.21 0.00 0.03 0.00 0.00 46.19 43.08 1qx5 s LEU 4 CO 0.24 0.19 1.11 0.42 0.23 0.00 0.00 176.35 178.54 1qx5 s THR 5 N -1.05 1.90 0.14 5.49 -4.23 -1.26 -4.85 115.64 111.78 1qx5 s THR 5 Ca 0.36 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.98 1qx5 s THR 5 Cb -0.23 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 1qx5 s THR 5 CO 0.26 0.00 1.49 1.05 -0.54 0.00 0.00 174.62 176.87 1qx5 h GLU 6 N -2.05 0.00 -0.36 3.99 4.11 -1.98 -2.18 114.58 116.10 1qx5 h GLU 6 Ca -0.52 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.84 1qx5 h GLU 6 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1qx5 h GLU 6 CO 0.52 0.70 -0.06 0.93 0.07 0.00 0.00 179.01 181.17 1qx5 h GLU 7 N 0.00 0.68 0.62 1.06 3.07 -1.99 0.61 114.58 118.63 1qx5 h GLU 7 Ca -0.01 -0.25 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 1qx5 h GLU 7 Cb 1.35 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1qx5 h GLU 7 CO 0.09 0.82 -0.36 1.96 -1.40 0.00 0.00 179.01 180.12 1qx5 h GLN 8 N 0.48 -0.88 -0.87 2.33 4.20 -1.92 -1.88 115.11 116.57 1qx5 h GLN 8 Ca 0.09 0.06 0.22 0.00 0.06 0.00 0.00 58.65 59.09 1qx5 h GLN 8 Cb 0.56 0.20 -0.13 0.00 0.30 0.00 0.00 27.48 28.40 1qx5 h GLN 8 CO 0.03 -0.59 0.31 0.82 -0.67 0.00 0.00 178.83 178.73 1qx5 h ILE 9 N -0.91 0.40 -0.65 2.54 2.04 -1.36 0.25 117.51 119.81 1qx5 h ILE 9 Ca -0.08 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1qx5 h ILE 9 Cb 0.73 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1qx5 h ILE 9 CO 0.10 0.05 0.20 0.00 0.00 0.00 0.00 178.15 178.49 1qx5 h ALA 10 N 1.74 0.85 0.85 1.87 0.00 -0.59 -2.38 119.26 121.60 1qx5 h ALA 10 Ca 0.55 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1qx5 h ALA 10 Cb 1.07 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1qx5 h ALA 10 CO -0.59 0.54 -0.41 0.93 0.00 0.00 0.00 179.25 179.72 1qx5 h GLU 11 N 0.95 -1.09 -0.85 0.00 5.08 -0.18 0.94 114.58 119.43 1qx5 h GLU 11 Ca 0.21 0.07 0.25 0.00 -1.00 0.00 0.00 59.36 58.89 1qx5 h GLU 11 Cb 0.31 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1qx5 h GLU 11 CO -0.00 -0.72 0.77 0.74 -1.00 0.00 0.00 179.01 178.79 1qx5 h PHE 12 N -1.23 0.00 0.11 4.33 0.04 -1.16 0.10 116.94 119.14 1qx5 h PHE 12 Ca -0.12 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.33 1qx5 h PHE 12 Cb 0.88 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 1qx5 h PHE 12 CO -0.00 0.00 -1.67 -0.22 -0.60 0.00 0.00 178.31 175.81 1qx5 h LYS 13 N 0.00 0.24 -0.52 1.51 1.63 -0.85 -2.48 116.57 116.11 1qx5 h LYS 13 Ca 0.40 -0.41 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 1qx5 h LYS 13 Cb 1.94 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 33.71 1qx5 h LYS 13 CO -0.00 1.08 -0.10 1.49 -3.45 0.00 0.00 179.45 178.47 1qx5 h GLU 14 N 0.07 0.96 -0.21 1.90 4.81 0.11 -2.31 114.58 119.89 1qx5 h GLU 14 Ca -0.30 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 58.42 1qx5 h GLU 14 Cb 2.03 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.34 1qx5 h GLU 14 CO 0.14 1.00 -0.54 0.00 -0.73 0.00 0.00 179.01 178.88 1qx5 h ALA 15 N 1.02 0.35 -0.12 2.92 0.00 -0.99 -2.30 119.26 120.14 1qx5 h ALA 15 Ca 0.14 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1qx5 h ALA 15 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1qx5 h ALA 15 CO 0.04 0.56 -0.08 0.35 0.00 0.00 0.00 179.25 180.12 1qx5 h PHE 16 N 0.46 -0.19 0.00 0.00 3.57 -1.35 -2.45 116.94 116.98 1qx5 h PHE 16 Ca -0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1qx5 h PHE 16 Cb 1.16 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1qx5 h PHE 16 CO 0.09 -0.12 -0.39 0.66 -2.23 0.00 0.00 178.31 176.31 1qx5 h SER 17 N -0.08 0.00 -0.02 0.41 4.64 -1.47 -2.82 113.55 114.20 1qx5 h SER 17 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1qx5 h SER 17 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1qx5 h SER 17 CO -0.17 0.39 0.01 0.25 -0.87 0.00 0.00 176.83 176.44 1qx5 h LEU 18 N 0.00 0.03 -3.18 5.97 6.46 -0.95 -2.94 115.31 120.70 1qx5 h LEU 18 Ca -0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1qx5 h LEU 18 Cb 0.83 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1qx5 h LEU 18 CO 0.05 0.09 0.00 0.49 -0.62 0.00 0.00 178.44 178.46 1qx5 n PHE 19 N -5.04 1.74 -2.78 1.25 3.01 -1.05 -4.37 117.46 110.23 1qx5 n PHE 19 Ca -0.07 -0.62 -0.39 0.00 1.01 0.00 0.00 57.45 57.38 1qx5 n PHE 19 Cb 0.06 -0.41 0.01 0.00 -0.01 0.00 0.00 39.48 39.13 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 0.69 6.72 -0.23 4.37 2.03 -1.07 -4.88 116.55 124.17 1qx5 n ASP 20 Ca 0.25 -3.62 0.17 0.00 0.52 0.00 0.00 54.79 52.10 1qx5 n ASP 20 Cb 1.03 -1.10 0.31 0.00 -0.72 0.00 0.00 41.12 40.64 1qx5 n ASP 20 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qx5 n LYS 21 N 0.24 -0.05 0.00 -0.67 0.00 -1.26 -3.05 118.16 113.37 1qx5 n LYS 21 Ca 0.40 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 59.72 1qx5 n LYS 21 Cb 0.29 -1.70 0.00 0.00 -0.00 0.00 0.00 35.03 33.62 1qx5 n LYS 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1qx5 n ASP 22 N -4.76 0.00 0.00 -5.58 10.43 -1.26 -4.98 116.55 110.41 1qx5 n ASP 22 Ca 0.22 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.58 1qx5 n ASP 22 Cb 0.73 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.69 1qx5 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qx5 n GLY 23 N 0.00 0.00 3.67 0.44 0.00 -1.17 -5.12 105.19 103.01 1qx5 n GLY 23 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 6.62 0.00 1.61 -4.77 -1.26 -4.92 116.67 113.95 1qx5 s ASP 24 Ca 0.00 0.75 0.00 0.00 -3.30 0.00 0.00 52.55 50.00 1qx5 s ASP 24 Cb 0.00 -2.31 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 1qx5 s ASP 24 CO 0.00 -0.17 0.44 0.61 0.70 0.00 0.00 175.17 176.76 1qx5 n GLY 25 N 3.74 0.83 2.89 2.12 0.00 -1.26 -4.57 105.19 108.94 1qx5 n GLY 25 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1qx5 n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qx5 s THR 26 N 2.56 -0.05 0.15 2.61 -1.32 -1.26 -2.69 115.64 115.64 1qx5 s THR 26 Ca 0.00 0.17 0.05 0.00 -1.21 0.00 0.00 61.69 60.71 1qx5 s THR 26 Cb 0.00 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.76 1qx5 s THR 26 CO 0.00 0.07 -0.12 0.27 -2.21 0.00 0.00 174.62 172.63 1qx5 s ILE 27 N 1.03 1.31 0.69 5.08 -4.36 0.17 -4.90 121.20 120.23 1qx5 s ILE 27 Ca -0.08 -1.94 -0.06 0.00 -0.26 0.00 0.00 60.65 58.30 1qx5 s ILE 27 Cb -0.11 -1.74 0.06 0.00 1.25 0.00 0.00 42.46 41.92 1qx5 s ILE 27 CO -0.05 -0.59 1.00 0.42 0.24 0.00 0.00 174.94 175.96 1qx5 s THR 28 N -2.79 2.37 0.32 8.37 -4.23 -1.26 -0.77 115.64 117.64 1qx5 s THR 28 Ca 0.14 -0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1qx5 s THR 28 Cb -0.01 -3.03 0.31 0.00 1.34 0.00 0.00 72.50 71.11 1qx5 s THR 28 CO 0.02 -0.03 1.84 0.74 -0.54 0.00 0.00 174.62 176.65 1qx5 h THR 29 N -0.56 0.83 -0.04 3.99 2.02 -1.95 0.17 112.91 117.37 1qx5 h THR 29 Ca -0.44 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1qx5 h THR 29 Cb 1.31 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1qx5 h THR 29 CO 0.60 0.15 -0.45 0.11 0.37 0.00 0.00 175.52 176.30 1qx5 h LYS 30 N 0.80 0.38 -0.09 6.66 1.57 -1.93 -2.27 116.57 121.69 1qx5 h LYS 30 Ca 0.49 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1qx5 h LYS 30 Cb 0.69 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1qx5 h LYS 30 CO -0.26 1.01 0.07 0.93 -0.57 0.00 0.00 179.45 180.64 1qx5 h GLU 31 N -0.13 0.00 0.08 3.15 5.08 -1.44 0.82 114.58 122.13 1qx5 h GLU 31 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1qx5 h GLU 31 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1qx5 h GLU 31 CO 0.09 0.00 -0.04 1.25 -1.00 0.00 0.00 179.01 179.31 1qx5 h LEU 32 N 0.00 -0.09 -0.86 1.33 5.85 -0.52 0.40 115.31 121.42 1qx5 h LEU 32 Ca 0.04 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1qx5 h LEU 32 Cb 0.19 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 1qx5 h LEU 32 CO -0.00 0.38 0.49 1.23 -0.34 0.00 0.00 178.44 180.20 1qx5 h GLY 33 N -0.57 1.37 2.00 3.75 0.00 -0.35 0.17 103.07 109.44 1qx5 h GLY 33 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1qx5 h GLY 33 CO 0.02 0.10 -0.43 0.00 0.00 0.00 0.00 176.54 176.22 1qx5 h THR 34 N 0.79 0.83 -0.07 4.70 1.03 -0.84 -1.80 112.91 117.56 1qx5 h THR 34 Ca 0.43 -1.87 -0.01 0.00 -0.01 0.00 0.00 66.41 64.95 1qx5 h THR 34 Cb 0.46 2.19 -0.00 0.00 -1.07 0.00 0.00 68.15 69.72 1qx5 h THR 34 CO -0.28 0.42 0.00 0.58 -0.01 0.00 0.00 175.52 176.24 1qx5 h VAL 35 N 0.00 1.25 0.00 0.00 2.07 0.14 0.37 116.25 120.08 1qx5 h VAL 35 Ca -0.00 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1qx5 h VAL 35 Cb 1.15 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1qx5 h VAL 35 CO 0.06 0.21 -0.15 0.24 0.02 0.00 0.00 177.57 177.95 1qx5 h MET 36 N -0.17 0.00 0.00 1.57 2.86 -0.70 -1.73 114.93 116.76 1qx5 h MET 36 Ca 0.02 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.46 1qx5 h MET 36 Cb 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1qx5 h MET 36 CO 0.00 0.15 -0.93 0.00 1.06 0.00 0.00 176.91 177.19 1qx5 h ARG 37 N 0.00 0.00 0.00 1.72 3.08 -0.97 -1.63 114.38 116.58 1qx5 h ARG 37 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qx5 h ARG 37 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1qx5 h ARG 37 CO 0.02 0.93 0.00 -1.13 -1.07 0.00 0.00 179.97 178.72 1qx5 n SER 38 N -3.35 0.69 -0.99 7.04 3.41 0.09 -1.62 113.62 118.89 1qx5 n SER 38 Ca 0.00 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1qx5 n SER 38 Cb 0.91 -0.83 0.23 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.29 2.98 0.00 1.04 4.77 -0.90 -4.96 117.00 117.64 1qx5 n LEU 39 Ca 0.01 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1qx5 n LEU 39 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1qx5 n LEU 39 CO 0.18 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1qx5 n GLY 40 N 1.40 0.76 2.48 -0.72 0.00 -0.64 -5.02 105.19 103.45 1qx5 n GLY 40 Ca 0.18 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.15 0.99 -0.16 1.61 -2.07 -0.66 -4.22 119.66 113.99 1qx5 s GLN 41 Ca 0.00 -2.03 -0.30 0.00 -1.82 0.00 0.00 55.36 51.21 1qx5 s GLN 41 Cb 0.00 -1.63 -0.08 0.00 -1.09 0.00 0.00 33.01 30.21 1qx5 s GLN 41 CO 0.00 -1.32 2.12 0.27 -1.32 0.00 0.00 175.29 175.04 1qx5 n ASN 42 N 3.10 3.38 -4.85 12.60 6.94 -1.26 -4.46 115.26 130.69 1qx5 n ASN 42 Ca 0.23 0.49 -0.34 0.00 -0.02 0.00 0.00 54.58 54.94 1qx5 n ASN 42 Cb 0.43 -1.49 -0.06 0.00 -2.36 0.00 0.00 39.78 36.30 1qx5 n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1qx5 s PRO 43 N 5.62 3.95 0.81 -0.53 0.04 -1.26 -5.07 135.00 138.56 1qx5 s PRO 43 Ca 0.98 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 1qx5 s PRO 43 Cb -0.46 -2.72 0.09 0.00 0.04 0.00 0.00 34.50 31.44 1qx5 s PRO 43 CO 0.40 0.35 1.17 0.99 0.04 0.00 0.00 177.00 179.95 1qx5 s THR 44 N -1.70 2.30 -0.38 1.26 2.01 -1.26 -4.88 115.64 112.99 1qx5 s THR 44 Ca 0.45 0.12 0.27 0.00 0.31 0.00 0.00 61.69 62.84 1qx5 s THR 44 Cb -0.13 -2.46 0.32 0.00 0.01 0.00 0.00 72.50 70.25 1qx5 s THR 44 CO 0.20 -0.11 1.77 -0.33 -0.69 0.00 0.00 174.62 175.46 1qx5 h GLU 45 N -1.05 0.00 0.16 4.92 5.08 -2.00 -1.87 114.58 119.83 1qx5 h GLU 45 Ca -0.45 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.60 1qx5 h GLU 45 Cb 1.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1qx5 h GLU 45 CO 0.46 0.00 -1.46 0.00 -1.00 0.00 0.00 179.01 177.02 1qx5 h ALA 46 N 2.18 0.12 -0.38 3.43 0.00 -1.99 -2.82 119.26 119.81 1qx5 h ALA 46 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 54.91 53.93 1qx5 h ALA 46 Cb 0.68 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1qx5 h ALA 46 CO 0.00 0.99 0.22 1.49 0.00 0.00 0.00 179.25 181.95 1qx5 h GLU 47 N 0.09 0.44 0.26 0.00 4.81 -1.86 0.26 114.58 118.58 1qx5 h GLU 47 Ca -0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1qx5 h GLU 47 Cb 2.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1qx5 h GLU 47 CO 0.20 0.29 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.58 1qx5 h LEU 48 N 0.45 -0.29 -0.66 1.64 3.38 -1.45 -2.00 115.31 116.38 1qx5 h LEU 48 Ca 0.15 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.09 1qx5 h LEU 48 Cb -0.00 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 1qx5 h LEU 48 CO -0.07 0.01 0.04 -0.61 0.09 0.00 0.00 178.44 177.90 1qx5 h GLN 49 N -0.61 0.14 -0.86 1.13 -0.00 -1.37 -0.76 115.11 112.79 1qx5 h GLN 49 Ca -0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.58 1qx5 h GLN 49 Cb 0.44 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.85 1qx5 h GLN 49 CO 0.06 0.09 0.42 0.22 0.00 0.00 0.00 178.83 179.62 1qx5 h ASP 50 N 0.15 1.12 0.35 -0.69 3.58 -0.80 0.24 116.42 120.36 1qx5 h ASP 50 Ca 0.35 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1qx5 h ASP 50 Cb 0.59 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1qx5 h ASP 50 CO -0.54 0.94 -0.07 0.24 -2.88 0.00 0.00 179.24 176.92 1qx5 h MET 51 N 1.22 0.00 0.06 0.28 2.86 -0.39 -0.73 114.93 118.24 1qx5 h MET 51 Ca 0.30 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.63 1qx5 h MET 51 Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1qx5 h MET 51 CO -0.04 0.07 -1.71 -0.89 1.06 0.00 0.00 176.91 175.41 1qx5 n ILE 52 N -3.50 1.66 0.34 -1.22 -0.00 -0.75 -3.82 119.36 112.06 1qx5 n ILE 52 Ca -0.02 -0.37 0.09 0.00 -0.00 0.00 0.00 62.75 62.45 1qx5 n ILE 52 Cb 0.20 -1.87 0.39 0.00 -0.00 0.00 0.00 39.64 38.36 1qx5 n ILE 52 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1qx5 n ASN 53 N -3.92 0.36 0.05 4.38 5.15 0.77 -1.42 115.26 120.63 1qx5 n ASN 53 Ca -0.33 0.61 -0.20 0.00 -0.60 0.00 0.00 54.58 54.06 1qx5 n ASN 53 Cb 0.88 -0.68 -0.14 0.00 -0.53 0.00 0.00 39.78 39.31 1qx5 n ASN 53 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1qx5 h GLU 54 N 0.00 0.34 0.00 1.20 4.57 -1.27 -3.41 114.58 116.01 1qx5 h GLU 54 Ca 0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1qx5 h GLU 54 Cb 0.22 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1qx5 h GLU 54 CO 0.00 1.25 0.00 1.55 -1.18 0.00 0.00 179.01 180.63 1qx5 n VAL 55 N -4.09 0.00 -0.49 0.32 3.14 -0.93 -4.73 118.33 111.55 1qx5 n VAL 55 Ca -0.14 0.08 -0.26 0.00 -2.96 0.00 0.00 64.34 61.07 1qx5 n VAL 55 Cb 0.84 -1.07 -0.05 0.00 -1.06 0.00 0.00 33.84 32.49 1qx5 n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1qx5 n ASP 56 N -1.66 1.59 -2.11 6.55 4.64 -0.51 -4.49 116.55 120.55 1qx5 n ASP 56 Ca 0.00 -2.34 -0.24 0.00 -1.38 0.00 0.00 54.79 50.84 1qx5 n ASP 56 Cb 0.00 -0.71 0.13 0.00 -1.04 0.00 0.00 41.12 39.51 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 6.60 5.44 -1.22 -1.67 0.00 -1.26 -4.16 120.51 124.25 1qx5 n ALA 57 Ca 0.31 -2.67 0.09 0.00 0.00 0.00 0.00 53.44 51.17 1qx5 n ALA 57 Cb 0.23 -1.47 0.12 0.00 0.00 0.00 0.00 19.45 18.33 1qx5 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qx5 n ASP 58 N -0.84 2.01 0.00 0.00 5.68 -1.26 -5.02 116.55 117.11 1qx5 n ASP 58 Ca 0.53 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 1qx5 n ASP 58 Cb 1.28 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 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 -1.23 2.80 0.25 6.12 0.00 -1.26 -4.91 105.19 106.96 1qx5 n GLY 59 Ca 0.14 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 1qx5 n GLY 59 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1qx5 h ASN 60 N 0.00 -0.67 -0.35 1.61 -0.00 -1.96 -3.47 115.58 110.75 1qx5 h ASN 60 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 1qx5 h ASN 60 Cb 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 1qx5 h ASN 60 CO 0.00 -0.23 0.00 0.61 -0.00 0.00 0.00 177.43 177.81 1qx5 n GLY 61 N -1.38 0.77 3.65 1.57 0.00 -1.26 -5.07 105.19 103.46 1qx5 n GLY 61 Ca 0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.35 0.77 -0.08 2.61 -4.23 -1.26 -3.60 115.64 107.50 1qx5 s THR 62 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1qx5 s THR 62 Cb 0.00 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1qx5 s THR 62 CO 0.00 0.00 0.27 -0.51 -0.54 0.00 0.00 174.62 173.84 1qx5 s ILE 63 N -3.04 0.01 0.28 2.99 2.07 0.05 -4.02 121.20 119.54 1qx5 s ILE 63 Ca 0.12 -0.11 0.07 0.00 -1.41 0.00 0.00 60.65 59.32 1qx5 s ILE 63 Cb 0.01 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1qx5 s ILE 63 CO 0.08 -0.06 0.21 1.51 -1.91 0.00 0.00 174.94 174.77 1qx5 s ASP 64 N -0.15 5.35 0.25 4.50 1.47 -1.26 -0.66 116.67 126.17 1qx5 s ASP 64 Ca -0.03 -0.38 -0.03 0.00 1.18 0.00 0.00 52.55 53.29 1qx5 s ASP 64 Cb -0.03 -1.20 0.51 0.00 -0.34 0.00 0.00 42.92 41.86 1qx5 s ASP 64 CO 0.01 -0.15 1.69 0.15 0.68 0.00 0.00 175.17 177.55 1qx5 h PHE 65 N 1.44 0.34 0.14 2.11 3.57 -1.92 0.75 116.94 123.36 1qx5 h PHE 65 Ca -0.47 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1qx5 h PHE 65 Cb 1.24 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 1qx5 h PHE 65 CO 0.56 -0.08 -0.52 -1.35 -2.23 0.00 0.00 178.31 174.69 1qx5 h PRO 66 N 0.29 -0.73 -0.58 6.41 0.11 -1.96 0.96 132.00 136.51 1qx5 h PRO 66 Ca 0.44 0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.52 1qx5 h PRO 66 Cb 0.77 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1qx5 h PRO 66 CO -0.52 -0.49 0.04 1.05 -0.21 0.00 0.00 178.00 177.87 1qx5 h GLU 67 N -0.76 0.97 -0.10 1.05 4.11 -1.87 -1.19 114.58 116.78 1qx5 h GLU 67 Ca -0.01 -0.27 0.04 0.00 0.07 0.00 0.00 59.36 59.20 1qx5 h GLU 67 Cb 0.76 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1qx5 h GLU 67 CO -0.28 0.93 -0.40 0.35 0.07 0.00 0.00 179.01 179.68 1qx5 h PHE 68 N 0.90 -1.14 -0.47 2.06 3.57 -0.41 0.49 116.94 121.93 1qx5 h PHE 68 Ca 0.17 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1qx5 h PHE 68 Cb 0.47 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1qx5 h PHE 68 CO 0.03 -0.47 0.24 1.25 -2.23 0.00 0.00 178.31 177.13 1qx5 h LEU 69 N -0.49 0.58 -0.50 0.59 6.46 -0.63 0.15 115.31 121.46 1qx5 h LEU 69 Ca 0.07 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1qx5 h LEU 69 Cb 0.62 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1qx5 h LEU 69 CO -0.37 0.49 0.22 0.74 -0.62 0.00 0.00 178.44 178.90 1qx5 h THR 70 N 0.66 1.21 -0.25 1.05 2.02 -0.25 -0.84 112.91 116.51 1qx5 h THR 70 Ca 0.17 -0.61 -0.13 0.00 0.77 0.00 0.00 66.41 66.60 1qx5 h THR 70 Cb 0.05 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1qx5 h THR 70 CO -0.02 0.24 -0.37 0.24 0.37 0.00 0.00 175.52 175.98 1qx5 h MET 71 N 0.67 0.69 -0.86 6.66 2.86 -0.15 -2.53 114.93 122.27 1qx5 h MET 71 Ca 0.17 -0.41 0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1qx5 h MET 71 Cb 0.16 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1qx5 h MET 71 CO -0.02 1.03 0.56 0.52 1.06 0.00 0.00 176.91 180.06 1qx5 h MET 72 N 0.41 1.03 -0.24 1.72 2.07 -0.66 0.92 114.93 120.18 1qx5 h MET 72 Ca 0.03 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1qx5 h MET 72 Cb 0.95 -0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 30.44 1qx5 h MET 72 CO 0.08 0.68 0.13 0.00 1.07 0.00 0.00 176.91 178.87 1qx5 h ALA 73 N 1.50 0.30 -0.02 6.32 0.00 -0.98 0.73 119.26 127.11 1qx5 h ALA 73 Ca 0.34 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1qx5 h ALA 73 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1qx5 h ALA 73 CO -0.10 -0.17 -0.40 0.00 0.00 0.00 0.00 179.25 178.58 1qx5 h ARG 74 N 0.27 0.04 0.02 0.00 -0.00 -0.83 -3.10 114.38 110.78 1qx5 h ARG 74 Ca 0.08 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.55 1qx5 h ARG 74 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1qx5 h ARG 74 CO -0.01 0.43 -0.01 -0.22 0.00 0.00 0.00 179.97 180.16 1qx5 h LYS 75 N 0.03 -0.03 -0.27 0.04 1.63 0.13 -3.32 116.57 114.79 1qx5 h LYS 75 Ca 0.00 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.88 1qx5 h LYS 75 Cb 0.73 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1qx5 h LYS 75 CO 0.05 0.72 0.27 1.98 -3.45 0.00 0.00 179.45 179.03 1qx5 h MET 76 N -0.86 0.00 0.00 1.90 4.05 0.41 -0.35 114.93 120.08 1qx5 h MET 76 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1qx5 h MET 76 Cb 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1qx5 h MET 76 CO 0.00 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.77 1qx5 n LYS 77 N -3.87 0.14 0.00 0.39 4.76 -1.17 -2.44 118.16 115.97 1qx5 n LYS 77 Ca 0.04 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1qx5 n LYS 77 Cb 0.42 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1qx5 n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1qx5 n ASP 78 N -1.35 1.23 -4.51 4.39 2.03 -0.15 -5.05 116.55 113.15 1qx5 n ASP 78 Ca 0.06 -1.54 -0.30 0.00 0.52 0.00 0.00 54.79 53.53 1qx5 n ASP 78 Cb 0.12 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.54 2.99 0.29 5.18 2.01 -1.02 -5.13 115.64 119.41 1qx5 s THR 79 Ca 0.00 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1qx5 s THR 79 Cb 0.00 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.14 1qx5 s THR 79 CO 0.00 0.13 0.01 -0.90 -0.69 0.00 0.00 174.62 173.17 1qx5 n ASP 80 N 0.87 2.62 0.03 3.53 5.75 -1.26 -4.93 116.55 123.16 1qx5 n ASP 80 Ca -0.15 -2.28 -0.10 0.00 -0.01 0.00 0.00 54.79 52.25 1qx5 n ASP 80 Cb 0.52 0.25 -0.13 0.00 -1.03 0.00 0.00 41.12 40.73 1qx5 n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1qx5 h SER 81 N 0.73 0.09 0.57 -1.12 0.87 -2.01 -3.34 113.55 109.34 1qx5 h SER 81 Ca -0.24 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.13 1qx5 h SER 81 Cb 0.73 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1qx5 h SER 81 CO 0.39 1.11 -0.32 1.05 -0.53 0.00 0.00 176.83 178.52 1qx5 h GLU 82 N 0.02 0.00 0.00 2.24 4.11 -2.00 -2.37 114.58 116.57 1qx5 h GLU 82 Ca -0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 1qx5 h GLU 82 Cb 1.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1qx5 h GLU 82 CO 0.12 0.32 -0.13 1.49 0.07 0.00 0.00 179.01 180.89 1qx5 h GLU 83 N 0.00 0.00 0.05 1.06 4.57 -1.95 -0.42 114.58 117.89 1qx5 h GLU 83 Ca -0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 1qx5 h GLU 83 Cb 0.70 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1qx5 h GLU 83 CO 0.04 0.13 -1.07 0.93 -1.18 0.00 0.00 179.01 177.86 1qx5 h GLU 84 N 0.00 0.12 -0.01 1.92 5.08 -1.57 -2.42 114.58 117.69 1qx5 h GLU 84 Ca -0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1qx5 h GLU 84 Cb 0.72 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1qx5 h GLU 84 CO 0.02 1.07 -0.03 0.82 -1.00 0.00 0.00 179.01 179.89 1qx5 h ILE 85 N 0.04 1.46 -0.56 3.13 2.04 -1.19 -1.95 117.51 120.48 1qx5 h ILE 85 Ca -0.06 -1.40 0.11 0.00 1.00 0.00 0.00 64.86 64.52 1qx5 h ILE 85 Cb 1.80 2.37 -0.10 0.00 -0.74 0.00 0.00 36.82 40.16 1qx5 h ILE 85 CO 0.16 0.37 -0.05 -0.09 0.00 0.00 0.00 178.15 178.54 1qx5 h ARG 86 N -0.53 0.07 -0.62 2.37 2.43 -1.16 0.21 114.38 117.15 1qx5 h ARG 86 Ca 0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1qx5 h ARG 86 Cb 0.61 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1qx5 h ARG 86 CO 0.01 0.05 0.17 0.93 -1.51 0.00 0.00 179.97 179.61 1qx5 h GLU 87 N 0.07 0.96 -0.06 0.20 4.39 -1.43 0.60 114.58 119.32 1qx5 h GLU 87 Ca 0.28 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1qx5 h GLU 87 Cb 0.44 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1qx5 h GLU 87 CO -0.51 0.85 0.02 0.00 -1.16 0.00 0.00 179.01 178.21 1qx5 h ALA 88 N 1.25 0.08 -0.65 3.43 0.00 -0.22 -2.58 119.26 120.57 1qx5 h ALA 88 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qx5 h ALA 88 Cb 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1qx5 h ALA 88 CO -0.00 -0.33 0.38 0.74 0.00 0.00 0.00 179.25 180.04 1qx5 h PHE 89 N -0.08 0.87 -0.41 0.00 -1.00 -0.32 -1.69 116.94 114.31 1qx5 h PHE 89 Ca 0.02 -0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.91 1qx5 h PHE 89 Cb 0.18 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 1qx5 h PHE 89 CO -0.01 0.60 0.52 0.00 -1.61 0.00 0.00 178.31 177.81 1qx5 h ARG 90 N 0.88 0.00 0.00 1.51 -0.00 -0.76 1.30 114.38 117.32 1qx5 h ARG 90 Ca 0.23 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.70 1qx5 h ARG 90 Cb -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 1qx5 h ARG 90 CO -0.04 0.00 -0.05 0.28 0.00 0.00 0.00 179.97 180.16 1qx5 h VAL 91 N 0.00 1.03 0.00 2.04 2.07 -0.90 -2.54 116.25 117.95 1qx5 h VAL 91 Ca 0.20 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1qx5 h VAL 91 Cb 1.23 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1qx5 h VAL 91 CO -0.00 0.05 -0.39 -0.26 0.02 0.00 0.00 177.57 176.99 1qx5 h PHE 92 N 0.00 0.00 -1.09 1.57 -1.00 0.16 -3.41 116.94 113.17 1qx5 h PHE 92 Ca -0.00 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.18 1qx5 h PHE 92 Cb 0.09 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.55 1qx5 h PHE 92 CO 0.00 0.39 1.53 0.34 -1.61 0.00 0.00 178.31 178.96 1qx5 s ASP 93 N -6.39 6.50 0.32 2.17 3.68 -0.96 -4.69 116.67 117.29 1qx5 s ASP 93 Ca 0.04 -1.50 0.01 0.00 2.13 0.00 0.00 52.55 53.23 1qx5 s ASP 93 Cb 0.07 -2.57 0.52 0.00 -1.45 0.00 0.00 42.92 39.50 1qx5 s ASP 93 CO 0.72 -1.51 1.91 0.11 0.13 0.00 0.00 175.17 176.53 1qx5 h LYS 94 N 9.69 0.81 -0.28 4.34 6.56 -1.82 -2.99 116.57 132.88 1qx5 h LYS 94 Ca 0.21 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 1qx5 h LYS 94 Cb 1.00 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 1qx5 h LYS 94 CO 1.43 0.64 0.00 -0.40 -2.06 0.00 0.00 179.45 179.06 1qx5 n ASP 95 N -4.35 3.03 -2.90 0.86 3.85 -1.26 -5.00 116.55 110.78 1qx5 n ASP 95 Ca 0.05 -1.89 -0.20 0.00 -0.71 0.00 0.00 54.79 52.05 1qx5 n ASP 95 Cb 0.14 -0.17 0.05 0.00 -1.35 0.00 0.00 41.12 39.79 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 1.15 -0.33 0.12 6.12 0.00 -1.13 -4.90 105.19 106.22 1qx5 n GLY 96 Ca 0.15 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.14 1.19 0.00 1.61 6.94 -1.26 -4.96 115.26 116.65 1qx5 n ASN 97 Ca -0.04 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 1qx5 n ASN 97 Cb 0.57 0.77 0.00 0.00 -2.36 0.00 0.00 39.78 38.77 1qx5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qx5 n GLY 98 N 1.48 0.60 3.34 4.83 0.00 -1.26 -5.06 105.19 109.11 1qx5 n GLY 98 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.02 2.02 0.16 1.61 2.02 -1.26 -5.07 117.35 114.80 1qx5 s TYR 99 Ca 0.00 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1qx5 s TYR 99 Cb 0.00 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1qx5 s TYR 99 CO 0.00 0.29 0.08 0.96 -1.57 0.00 0.00 175.55 175.31 1qx5 s ILE 100 N -1.25 0.09 -0.33 2.71 -4.36 -1.26 -4.38 121.20 112.42 1qx5 s ILE 100 Ca 0.11 -1.95 -0.23 0.00 -0.26 0.00 0.00 60.65 58.33 1qx5 s ILE 100 Cb -0.09 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.41 1qx5 s ILE 100 CO 0.06 -0.30 0.76 -0.55 0.24 0.00 0.00 174.94 175.15 1qx5 s SER 101 N -3.10 6.59 0.18 4.36 0.15 -1.26 -4.95 113.70 115.68 1qx5 s SER 101 Ca 0.29 0.51 -0.13 0.00 0.70 0.00 0.00 55.95 57.32 1qx5 s SER 101 Cb 0.07 -2.39 0.15 0.00 -1.71 0.00 0.00 66.02 62.14 1qx5 s SER 101 CO 0.06 -0.64 1.77 0.00 1.20 0.00 0.00 173.24 175.63 1qx5 h ALA 102 N 8.26 0.62 -0.41 5.45 0.00 -2.00 -0.83 119.26 130.35 1qx5 h ALA 102 Ca -0.25 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1qx5 h ALA 102 Cb 1.10 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1qx5 h ALA 102 CO 0.88 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.95 1qx5 h ALA 103 N 1.30 0.36 -0.53 0.00 0.00 -2.00 -0.01 119.26 118.38 1qx5 h ALA 103 Ca 0.23 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1qx5 h ALA 103 Cb 0.19 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1qx5 h ALA 103 CO -0.20 -0.40 0.29 0.93 0.00 0.00 0.00 179.25 179.87 1qx5 h GLU 104 N 0.09 0.74 0.18 0.00 5.08 -1.88 -1.78 114.58 117.00 1qx5 h GLU 104 Ca 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1qx5 h GLU 104 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1qx5 h GLU 104 CO -0.35 0.57 -0.16 1.25 -1.00 0.00 0.00 179.01 179.31 1qx5 h LEU 105 N 0.71 -0.42 -0.45 1.33 5.85 -0.36 -1.65 115.31 120.32 1qx5 h LEU 105 Ca 0.19 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.02 1qx5 h LEU 105 Cb 0.04 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1qx5 h LEU 105 CO -0.03 -0.25 0.10 -0.09 -0.34 0.00 0.00 178.44 177.83 1qx5 h ARG 106 N -0.36 0.23 -0.12 1.25 2.43 -0.94 -2.34 114.38 114.53 1qx5 h ARG 106 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1qx5 h ARG 106 Cb 0.34 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1qx5 h ARG 106 CO -0.03 0.15 0.08 1.25 -1.51 0.00 0.00 179.97 179.90 1qx5 h HIS 107 N 0.23 0.16 0.00 2.20 2.76 -0.79 0.93 115.15 120.65 1qx5 h HIS 107 Ca 0.22 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1qx5 h HIS 107 Cb 0.28 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 1qx5 h HIS 107 CO -0.21 0.14 -0.11 -0.39 -1.30 0.00 0.00 177.93 176.06 1qx5 h VAL 108 N 0.14 0.20 0.07 5.26 -1.51 -1.28 -1.79 116.25 117.34 1qx5 h VAL 108 Ca 0.04 -1.14 -0.20 0.00 -1.23 0.00 0.00 66.70 64.17 1qx5 h VAL 108 Cb 0.02 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1qx5 h VAL 108 CO -0.01 0.11 -1.03 0.24 -1.23 0.00 0.00 177.57 175.64 1qx5 h MET 109 N 0.00 0.15 0.05 5.19 2.86 -1.24 -2.22 114.93 119.73 1qx5 h MET 109 Ca -0.00 -0.26 -0.30 0.00 -2.06 0.00 0.00 59.70 57.08 1qx5 h MET 109 Cb 0.96 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 1qx5 h MET 109 CO 0.01 1.13 -1.63 0.25 1.06 0.00 0.00 176.91 177.73 1qx5 n THR 110 N -4.18 1.64 0.00 2.22 -2.24 0.31 -3.49 114.28 108.52 1qx5 n THR 110 Ca -0.22 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1qx5 n THR 110 Cb 0.77 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1qx5 n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qx5 n ASN 111 N -4.03 0.00 -0.13 3.42 5.03 -0.75 -2.87 115.26 115.92 1qx5 n ASN 111 Ca -0.33 0.58 0.07 0.00 0.87 0.00 0.00 54.58 55.77 1qx5 n ASN 111 Cb 0.84 -0.39 0.39 0.00 -1.02 0.00 0.00 39.78 39.60 1qx5 n ASN 111 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1qx5 h LEU 112 N 0.00 0.58 0.00 3.41 7.12 -1.49 -1.43 115.31 123.49 1qx5 h LEU 112 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1qx5 h LEU 112 Cb 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1qx5 h LEU 112 CO 0.00 0.38 0.00 0.61 -0.13 0.00 0.00 178.44 179.30 1qx5 n GLY 113 N -1.47 -0.96 0.00 3.75 0.00 -0.84 -2.52 105.19 103.15 1qx5 n GLY 113 Ca 0.09 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1qx5 n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qx5 n GLU 114 N -1.15 2.27 -0.22 1.61 2.13 -0.56 -4.37 120.64 120.35 1qx5 n GLU 114 Ca 0.15 -0.02 0.10 0.00 0.66 0.00 0.00 57.16 58.05 1qx5 n GLU 114 Cb 0.15 -1.16 0.26 0.00 0.27 0.00 0.00 31.44 30.96 1qx5 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1qx5 n LYS 115 N -1.42 2.23 -3.49 5.31 5.02 -1.05 -4.95 118.16 119.81 1qx5 n LYS 115 Ca 0.02 -1.88 -0.11 0.00 -2.02 0.00 0.00 58.31 54.31 1qx5 n LYS 115 Cb 0.23 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1qx5 n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1qx5 s LEU 116 N -1.22 -0.46 0.53 -0.35 2.34 -1.25 -5.11 118.68 113.16 1qx5 s LEU 116 Ca 0.36 0.13 0.06 0.00 0.06 0.00 0.00 54.13 54.74 1qx5 s LEU 116 Cb 0.20 2.24 0.03 0.00 -0.56 0.00 0.00 46.19 48.09 1qx5 s LEU 116 CO 0.27 -0.69 0.38 0.42 -1.06 0.00 0.00 176.35 175.67 1qx5 s THR 117 N -2.85 1.74 0.23 5.48 -4.23 -1.26 -4.89 115.64 109.86 1qx5 s THR 117 Ca 0.01 -1.50 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 1qx5 s THR 117 Cb -0.01 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.78 1qx5 s THR 117 CO -0.07 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.30 1qx5 h ASP 118 N 0.82 0.79 0.58 3.99 3.45 -2.00 -1.49 116.42 122.56 1qx5 h ASP 118 Ca -0.38 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 56.98 1qx5 h ASP 118 Cb 1.30 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.90 1qx5 h ASP 118 CO 0.58 0.52 -0.54 -0.08 -1.57 0.00 0.00 179.24 178.15 1qx5 h GLU 119 N 0.93 0.00 -0.45 3.56 4.57 -1.98 -2.34 114.58 118.87 1qx5 h GLU 119 Ca 0.34 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.45 1qx5 h GLU 119 Cb 0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1qx5 h GLU 119 CO -0.15 0.54 -0.02 0.93 -1.18 0.00 0.00 179.01 179.12 1qx5 h GLU 120 N 0.00 0.80 -0.44 1.92 5.08 -1.73 1.00 114.58 121.20 1qx5 h GLU 120 Ca -0.01 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1qx5 h GLU 120 Cb 0.97 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1qx5 h GLU 120 CO 0.07 0.88 0.24 0.28 -1.00 0.00 0.00 179.01 179.48 1qx5 h VAL 121 N 0.65 1.16 -0.55 3.13 2.07 -1.14 0.58 116.25 122.15 1qx5 h VAL 121 Ca 0.12 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1qx5 h VAL 121 Cb 0.53 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1qx5 h VAL 121 CO 0.03 0.17 0.01 0.44 0.02 0.00 0.00 177.57 178.24 1qx5 h ASP 122 N 0.58 0.93 -0.12 0.57 5.19 -1.06 -0.39 116.42 122.13 1qx5 h ASP 122 Ca 0.16 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1qx5 h ASP 122 Cb 0.06 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1qx5 h ASP 122 CO -0.02 1.01 0.04 -0.08 -3.12 0.00 0.00 179.24 177.06 1qx5 h GLU 123 N 0.83 0.18 -0.45 3.56 4.57 0.14 -1.67 114.58 121.75 1qx5 h GLU 123 Ca 0.16 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 1qx5 h GLU 123 Cb 0.52 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1qx5 h GLU 123 CO 0.03 0.30 0.01 0.52 -1.18 0.00 0.00 179.01 178.69 1qx5 h MET 124 N 0.02 0.73 -0.14 1.92 2.86 0.28 -2.11 114.93 118.48 1qx5 h MET 124 Ca 0.04 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 1qx5 h MET 124 Cb 0.19 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1qx5 h MET 124 CO -0.00 0.73 -0.30 0.82 1.06 0.00 0.00 176.91 179.22 1qx5 h ILE 125 N 0.68 1.26 -0.13 -1.22 2.04 -0.90 -2.08 117.51 117.17 1qx5 h ILE 125 Ca 0.14 -1.26 -0.10 0.00 1.00 0.00 0.00 64.86 64.64 1qx5 h ILE 125 Cb 0.41 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1qx5 h ILE 125 CO 0.02 0.38 -0.29 0.03 0.00 0.00 0.00 178.15 178.29 1qx5 h ARG 126 N 0.24 0.42 0.00 2.37 3.08 -0.82 -3.14 114.38 116.53 1qx5 h ARG 126 Ca 0.03 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1qx5 h ARG 126 Cb 0.66 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1qx5 h ARG 126 CO 0.05 0.89 0.00 -1.91 -1.07 0.00 0.00 179.97 177.93 1qx5 n GLU 127 N -4.41 0.21 -3.35 0.04 2.13 -0.84 -4.80 120.64 109.63 1qx5 n GLU 127 Ca -0.07 0.37 -0.34 0.00 0.66 0.00 0.00 57.16 57.77 1qx5 n GLU 127 Cb 0.47 -1.86 -0.06 0.00 0.27 0.00 0.00 31.44 30.27 1qx5 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qx5 s ALA 128 N -3.26 3.56 -0.22 4.31 0.00 -0.79 -5.01 121.76 120.34 1qx5 s ALA 128 Ca 0.06 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 1qx5 s ALA 128 Cb 0.10 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1qx5 s ALA 128 CO 0.45 0.46 1.40 -0.51 0.00 0.00 0.00 175.76 177.55 1qx5 s ASP 129 N -1.87 6.67 -0.17 0.00 1.11 -1.26 -4.97 116.67 116.19 1qx5 s ASP 129 Ca 0.41 1.53 0.00 0.00 0.18 0.00 0.00 52.55 54.67 1qx5 s ASP 129 Cb -0.14 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.35 1qx5 s ASP 129 CO 0.20 -1.03 -0.10 -0.51 1.18 0.00 0.00 175.17 174.91 1qx5 s ILE 130 N 4.32 1.45 0.37 0.77 -1.16 -1.26 -4.38 121.20 121.30 1qx5 s ILE 130 Ca 0.61 -0.75 -0.06 0.00 -0.51 0.00 0.00 60.65 59.94 1qx5 s ILE 130 Cb -0.21 -1.49 0.09 0.00 0.61 0.00 0.00 42.46 41.46 1qx5 s ILE 130 CO 0.23 0.26 0.27 -0.90 -2.81 0.00 0.00 174.94 171.99 1qx5 n ASP 131 N 4.78 -1.91 0.28 4.50 5.68 -0.96 -4.82 116.55 124.09 1qx5 n ASP 131 Ca -0.14 -0.47 0.13 0.00 -0.50 0.00 0.00 54.79 53.80 1qx5 n ASP 131 Cb 0.48 -0.27 0.82 0.00 -1.14 0.00 0.00 41.12 41.00 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 -1.39 0.00 -1.20 6.12 0.00 -2.01 -2.17 103.07 102.42 1qx5 h GLY 132 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1qx5 h GLY 132 CO 0.07 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.83 1qx5 n ASP 133 N -3.93 1.79 0.00 0.19 9.92 -1.26 -4.32 116.55 118.93 1qx5 n ASP 133 Ca -0.03 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1qx5 n ASP 133 Cb 0.12 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 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 1.04 0.43 3.75 0.44 0.00 -0.81 -4.95 105.19 105.09 1qx5 n GLY 134 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.54 4.58 -0.00 1.61 2.00 -1.26 -4.88 119.66 121.17 1qx5 s GLN 135 Ca 0.00 1.20 0.02 0.00 -2.00 0.00 0.00 55.36 54.57 1qx5 s GLN 135 Cb 0.00 -3.34 -0.00 0.00 0.80 0.00 0.00 33.01 30.47 1qx5 s GLN 135 CO 0.00 0.34 -0.06 0.08 -0.50 0.00 0.00 175.29 175.16 1qx5 s VAL 136 N -0.34 0.44 -0.36 1.34 1.01 -1.26 -2.26 120.40 118.96 1qx5 s VAL 136 Ca 0.40 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1qx5 s VAL 136 Cb -0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1qx5 s VAL 136 CO 0.26 0.11 1.68 0.21 0.00 0.00 0.00 175.10 177.36 1qx5 s ASN 137 N -0.16 6.03 0.18 3.32 3.84 -1.26 -4.87 114.94 122.02 1qx5 s ASN 137 Ca 0.02 1.15 0.16 0.00 0.21 0.00 0.00 52.86 54.40 1qx5 s ASN 137 Cb -0.02 -2.53 0.78 0.00 -0.55 0.00 0.00 41.25 38.93 1qx5 s ASN 137 CO -0.00 -1.63 1.51 0.00 -2.79 0.00 0.00 177.10 174.19 1qx5 n TYR 138 N 9.84 0.48 0.26 0.43 0.18 -1.26 -1.55 117.16 125.54 1qx5 n TYR 138 Ca 0.21 0.22 0.09 0.00 1.88 0.00 0.00 57.90 60.30 1qx5 n TYR 138 Cb 0.47 -0.86 0.67 0.00 -0.38 0.00 0.00 39.34 39.24 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 0.35 -3.48 4.39 -1.99 -1.72 114.58 112.12 1qx5 h GLU 139 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1qx5 h GLU 139 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1qx5 h GLU 139 CO 0.00 0.05 -0.17 0.93 -1.16 0.00 0.00 179.01 178.66 1qx5 h GLU 140 N 0.00 -0.45 -0.99 2.33 5.08 -1.69 -0.54 114.58 118.32 1qx5 h GLU 140 Ca -0.00 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1qx5 h GLU 140 Cb 0.09 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1qx5 h GLU 140 CO 0.01 -0.26 0.64 0.74 -1.00 0.00 0.00 179.01 179.14 1qx5 h PHE 141 N -0.53 1.19 -0.86 4.33 0.05 -1.59 0.24 116.94 119.78 1qx5 h PHE 141 Ca -0.05 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.76 1qx5 h PHE 141 Cb 0.40 -0.39 -0.04 0.00 2.00 0.00 0.00 35.95 37.91 1qx5 h PHE 141 CO -0.04 0.63 0.48 0.28 -0.18 0.00 0.00 178.31 179.48 1qx5 h VAL 142 N 1.18 1.25 -0.18 -0.55 2.07 -1.04 -1.81 116.25 117.16 1qx5 h VAL 142 Ca 0.42 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 67.16 1qx5 h VAL 142 Cb 0.14 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1qx5 h VAL 142 CO -0.16 0.28 -0.54 -0.61 0.02 0.00 0.00 177.57 176.56 1qx5 h GLN 143 N 1.20 0.69 -0.82 1.57 5.75 -0.05 -2.26 115.11 121.19 1qx5 h GLN 143 Ca 0.30 -0.49 0.05 0.00 -0.15 0.00 0.00 58.65 58.36 1qx5 h GLN 143 Cb 0.02 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 1qx5 h GLN 143 CO -0.05 1.11 0.54 0.52 -2.65 0.00 0.00 178.83 178.30 1qx5 h MET 144 N 0.38 0.94 0.00 1.69 2.86 -0.34 -0.14 114.93 120.31 1qx5 h MET 144 Ca -0.02 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1qx5 h MET 144 Cb 1.16 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1qx5 h MET 144 CO 0.12 0.62 -0.22 0.52 1.06 0.00 0.00 176.91 179.00 1qx5 h MET 145 N 0.97 0.00 0.00 1.72 2.86 -1.30 -3.51 114.93 115.66 1qx5 h MET 145 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1qx5 h MET 145 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1qx5 h MET 145 CO -0.11 0.22 0.00 2.41 1.06 0.00 0.00 176.91 180.49