#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qx4 s MET 32 N 0.00 3.31 -0.13 -0.41 -1.94 -1.26 -5.00 119.30 113.87 1qx4 s MET 32 Ca 0.00 -0.30 -0.15 0.00 -1.71 0.00 0.00 55.69 53.53 1qx4 s MET 32 Cb 0.00 -4.07 -0.05 0.00 2.01 0.00 0.00 34.83 32.72 1qx4 s MET 32 CO 0.00 -1.53 0.36 0.42 -0.01 0.00 0.00 175.02 174.26 1qx4 s ILE 33 N 4.02 5.24 -0.06 2.53 1.01 -1.26 -0.26 121.20 132.41 1qx4 s ILE 33 Ca 0.30 0.71 -0.20 0.00 0.00 0.00 0.00 60.65 61.45 1qx4 s ILE 33 Cb -0.13 -3.70 -0.16 0.00 0.01 0.00 0.00 42.46 38.49 1qx4 s ILE 33 CO 0.18 0.40 0.81 0.74 0.00 0.00 0.00 174.94 177.07 1qx4 h THR 34 N 4.57 0.89 -0.72 2.92 2.02 -0.49 -3.37 112.91 118.73 1qx4 h THR 34 Ca -0.43 -1.24 -0.70 0.00 0.77 0.00 0.00 66.41 64.81 1qx4 h THR 34 Cb 1.18 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 69.04 1qx4 h THR 34 CO 0.74 0.24 2.45 0.18 0.37 0.00 0.00 175.52 179.50 1qx4 n LEU 35 N -4.88 5.82 0.07 2.58 4.77 -0.09 -4.67 117.00 120.60 1qx4 n LEU 35 Ca -0.07 -4.12 -0.06 0.00 -0.03 0.00 0.00 56.01 51.73 1qx4 n LEU 35 Cb 0.27 -1.68 -0.10 0.00 -2.33 0.00 0.00 43.42 39.58 1qx4 n LEU 35 CO 0.25 0.67 0.14 -0.33 -1.33 0.00 0.00 177.39 176.78 1qx4 h GLU 36 N 6.79 0.00 -3.97 3.23 5.08 -1.87 -3.44 114.58 120.40 1qx4 h GLU 36 Ca 0.48 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.34 1qx4 h GLU 36 Cb 0.76 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.64 1qx4 h GLU 36 CO 1.61 0.89 -0.79 1.21 -1.00 0.00 0.00 179.01 180.93 1qx4 s ASN 37 N -6.62 2.04 0.59 1.42 3.84 -1.26 -5.01 114.94 109.93 1qx4 s ASN 37 Ca 0.01 -0.28 0.39 0.00 0.21 0.00 0.00 52.86 53.20 1qx4 s ASN 37 Cb 0.09 -0.67 2.02 0.00 -0.55 0.00 0.00 41.25 42.14 1qx4 s ASN 37 CO 0.81 -0.17 2.19 1.55 -2.79 0.00 0.00 177.10 178.69 1qx4 h PRO 38 N 8.24 0.00 -0.01 0.43 0.13 -1.84 -1.77 132.00 137.18 1qx4 h PRO 38 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1qx4 h PRO 38 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1qx4 h PRO 38 CO 0.34 0.00 -0.36 -0.25 -0.23 0.00 0.00 178.00 177.51 1qx4 n ASP 39 N -2.95 1.04 -4.80 1.44 8.00 -1.26 -3.95 116.55 114.07 1qx4 n ASP 39 Ca -0.02 -0.85 -0.39 0.00 0.71 0.00 0.00 54.79 54.24 1qx4 n ASP 39 Cb 0.12 0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 1qx4 n ASP 39 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qx4 s ILE 40 N -2.61 4.66 -0.41 0.53 1.01 -0.67 -5.03 121.20 118.69 1qx4 s ILE 40 Ca 0.21 1.33 -0.13 0.00 0.00 0.00 0.00 60.65 62.05 1qx4 s ILE 40 Cb 0.19 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1qx4 s ILE 40 CO 0.57 0.54 0.28 -0.54 0.00 0.00 0.00 174.94 175.80 1qx4 s LYS 41 N -1.08 2.86 -0.38 2.79 1.02 -1.26 -4.37 119.74 119.31 1qx4 s LYS 41 Ca 0.30 -1.18 -0.18 0.00 0.02 0.00 0.00 55.97 54.93 1qx4 s LYS 41 Cb -0.20 -3.90 0.01 0.00 -0.52 0.00 0.00 37.83 33.22 1qx4 s LYS 41 CO 0.21 -0.83 0.50 0.71 -0.92 0.00 0.00 175.35 175.02 1qx4 s TYR 42 N 1.59 3.16 -0.11 3.18 1.51 0.60 -4.81 117.35 122.46 1qx4 s TYR 42 Ca 0.03 -0.02 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 1qx4 s TYR 42 Cb -0.21 -2.96 -0.03 0.00 -0.11 0.00 0.00 41.96 38.66 1qx4 s TYR 42 CO 0.07 -0.62 1.36 -2.14 -1.11 0.00 0.00 175.55 173.11 1qx4 s PRO 43 N 2.36 4.24 -0.04 -1.71 0.02 -1.26 -0.67 135.00 137.93 1qx4 s PRO 43 Ca 0.17 1.81 0.04 0.00 0.02 0.00 0.00 61.00 63.04 1qx4 s PRO 43 Cb -0.16 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 30.56 1qx4 s PRO 43 CO 0.14 -0.70 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.45 1qx4 s LEU 44 N 3.40 2.73 0.14 -5.54 1.43 0.75 -4.84 118.68 116.76 1qx4 s LEU 44 Ca 0.60 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 53.21 1qx4 s LEU 44 Cb -0.25 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 1qx4 s LEU 44 CO 0.20 0.34 0.87 -0.13 0.23 0.00 0.00 176.35 177.86 1qx4 s ARG 45 N -0.77 4.66 -0.02 1.70 0.52 -1.26 -1.18 118.95 122.61 1qx4 s ARG 45 Ca 0.12 1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 56.34 1qx4 s ARG 45 Cb -0.11 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1qx4 s ARG 45 CO 0.01 0.38 1.30 -1.17 0.02 0.00 0.00 175.30 175.84 1qx4 s LEU 46 N -0.54 4.30 -0.01 2.53 2.96 0.17 -0.22 118.68 127.87 1qx4 s LEU 46 Ca 0.41 1.97 0.13 0.00 -0.22 0.00 0.00 54.13 56.42 1qx4 s LEU 46 Cb -0.23 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.71 1qx4 s LEU 46 CO 0.28 -0.65 0.36 2.30 -1.32 0.00 0.00 176.35 177.32 1qx4 n ILE 47 N 4.62 0.00 -3.57 6.68 -5.35 0.15 0.46 119.36 122.35 1qx4 n ILE 47 Ca 0.12 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 1qx4 n ILE 47 Cb 0.45 0.42 -0.05 0.00 -1.74 0.00 0.00 39.64 38.71 1qx4 n ILE 47 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1qx4 s ASP 48 N -3.16 -0.39 -0.07 7.28 -4.77 -1.03 -4.89 116.67 109.65 1qx4 s ASP 48 Ca -0.02 0.41 0.04 0.00 -3.30 0.00 0.00 52.55 49.68 1qx4 s ASP 48 Cb 0.09 0.32 0.00 0.00 -1.09 0.00 0.00 42.92 42.24 1qx4 s ASP 48 CO 0.54 -0.37 -0.18 -0.54 0.70 0.00 0.00 175.17 175.32 1qx4 s LYS 49 N -1.18 2.16 -0.05 2.11 1.02 -1.26 -0.41 119.74 122.14 1qx4 s LYS 49 Ca -0.02 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1qx4 s LYS 49 Cb -0.00 -1.77 0.01 0.00 -0.52 0.00 0.00 37.83 35.55 1qx4 s LYS 49 CO 0.02 0.18 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.54 1qx4 s GLU 50 N 0.27 1.29 -0.25 1.68 2.12 0.14 -4.94 118.70 119.00 1qx4 s GLU 50 Ca -0.11 -0.29 -0.27 0.00 0.36 0.00 0.00 54.97 54.66 1qx4 s GLU 50 Cb -0.15 -1.13 0.01 0.00 0.26 0.00 0.00 34.13 33.12 1qx4 s GLU 50 CO 0.05 0.00 0.96 0.42 -0.54 0.00 0.00 175.26 176.15 1qx4 s ILE 51 N 0.68 4.72 -0.18 -3.70 1.01 -1.26 0.77 121.20 123.22 1qx4 s ILE 51 Ca -0.12 1.79 0.14 0.00 0.00 0.00 0.00 60.65 62.46 1qx4 s ILE 51 Cb -0.14 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.84 1qx4 s ILE 51 CO 0.02 -0.18 0.11 0.18 0.00 0.00 0.00 174.94 175.07 1qx4 n LEU 52 N 6.27 0.69 0.00 2.97 4.77 -0.21 -4.92 117.00 126.57 1qx4 n LEU 52 Ca 0.09 0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1qx4 n LEU 52 Cb 0.47 0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1qx4 n LEU 52 CO 0.51 0.57 0.40 -1.54 -1.33 0.00 0.00 177.39 176.00 1qx4 n SER 53 N -2.90 -1.87 0.14 -1.43 3.41 -1.00 -4.95 113.62 105.03 1qx4 n SER 53 Ca -0.33 -2.49 0.19 0.00 -0.26 0.00 0.00 58.87 55.98 1qx4 n SER 53 Cb 1.11 3.17 0.76 0.00 -0.26 0.00 0.00 64.21 69.00 1qx4 n SER 53 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1qx4 h HIS 54 N 1.89 0.00 0.00 7.33 2.07 -1.96 -3.08 115.15 121.40 1qx4 h HIS 54 Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 1qx4 h HIS 54 Cb 1.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.08 1qx4 h HIS 54 CO 0.00 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.46 1qx4 n ASP 55 N -3.57 0.15 -4.29 3.10 5.75 -1.26 -5.03 116.55 111.39 1qx4 n ASP 55 Ca 0.05 -1.07 -0.21 0.00 -0.01 0.00 0.00 54.79 53.55 1qx4 n ASP 55 Cb 0.55 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.53 1qx4 n ASP 55 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1qx4 s THR 56 N -0.07 1.63 0.21 2.12 -4.23 -1.17 0.11 115.64 114.24 1qx4 s THR 56 Ca 0.00 -1.76 -0.13 0.00 -1.18 0.00 0.00 61.69 58.62 1qx4 s THR 56 Cb 0.00 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1qx4 s THR 56 CO 0.00 -0.29 0.44 0.00 -0.54 0.00 0.00 174.62 174.24 1qx4 s ARG 57 N -2.53 1.39 -0.19 3.99 3.03 -0.23 -1.04 118.95 123.37 1qx4 s ARG 57 Ca 0.11 -1.10 -0.10 0.00 2.03 0.00 0.00 55.73 56.67 1qx4 s ARG 57 Cb -0.07 0.46 -0.05 0.00 -1.03 0.00 0.00 34.95 34.27 1qx4 s ARG 57 CO 0.05 -0.57 0.15 1.03 -1.13 0.00 0.00 175.30 174.83 1qx4 s ARG 58 N -3.96 4.15 -0.25 3.89 3.00 0.23 -0.82 118.95 125.20 1qx4 s ARG 58 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 55.73 55.75 1qx4 s ARG 58 Cb 0.00 -3.41 0.06 0.00 0.00 0.00 0.00 34.95 31.60 1qx4 s ARG 58 CO 0.03 0.32 -0.11 -0.06 0.00 0.00 0.00 175.30 175.48 1qx4 s PHE 59 N 0.28 3.16 -0.15 -0.53 0.08 0.10 0.24 117.98 121.17 1qx4 s PHE 59 Ca 0.10 -2.24 -0.06 0.00 0.12 0.00 0.00 56.93 54.85 1qx4 s PHE 59 Cb -0.11 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1qx4 s PHE 59 CO -0.01 -0.87 0.07 0.50 -0.10 0.00 0.00 175.22 174.81 1qx4 s ARG 60 N 1.14 3.63 0.09 0.44 3.52 0.45 -0.70 118.95 127.51 1qx4 s ARG 60 Ca -0.08 -0.30 0.09 0.00 -0.13 0.00 0.00 55.73 55.31 1qx4 s ARG 60 Cb -0.19 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1qx4 s ARG 60 CO -0.06 0.50 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.63 1qx4 s PHE 61 N -0.26 2.08 0.23 5.12 0.08 0.38 0.34 117.98 125.95 1qx4 s PHE 61 Ca 0.08 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.45 1qx4 s PHE 61 Cb -0.12 -1.17 -0.09 0.00 -0.57 0.00 0.00 43.02 41.07 1qx4 s PHE 61 CO 0.01 0.22 0.92 0.00 -0.10 0.00 0.00 175.22 176.27 1qx4 s ALA 62 N -0.99 3.35 0.79 5.36 0.00 0.69 -0.57 121.76 130.40 1qx4 s ALA 62 Ca 0.10 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1qx4 s ALA 62 Cb -0.10 -3.18 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1qx4 s ALA 62 CO 0.04 0.22 1.11 -0.51 0.00 0.00 0.00 175.76 176.61 1qx4 s LEU 63 N -1.15 2.82 0.54 0.00 1.43 0.45 -3.99 118.68 118.77 1qx4 s LEU 63 Ca 0.40 0.19 0.37 0.00 -1.03 0.00 0.00 54.13 54.06 1qx4 s LEU 63 Cb -0.26 -2.57 1.55 0.00 0.03 0.00 0.00 46.19 44.94 1qx4 s LEU 63 CO 0.31 -2.02 1.78 -0.65 0.23 0.00 0.00 176.35 176.00 1qx4 h PRO 64 N -0.91 0.02 -3.21 1.29 0.11 -1.94 -3.42 132.00 123.94 1qx4 h PRO 64 Ca -0.42 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qx4 h PRO 64 Cb 1.28 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1qx4 h PRO 64 CO 0.48 0.01 0.09 -1.54 -0.21 0.00 0.00 178.00 176.84 1qx4 s SER 65 N -5.04 -0.30 0.29 -2.05 1.04 -1.26 -5.01 113.70 101.37 1qx4 s SER 65 Ca -0.05 -0.45 0.23 0.00 0.48 0.00 0.00 55.95 56.16 1qx4 s SER 65 Cb 0.24 0.61 1.07 0.00 0.10 0.00 0.00 66.02 68.04 1qx4 s SER 65 CO 0.81 -1.11 1.71 -2.65 0.98 0.00 0.00 173.24 172.98 1qx4 n PRO 66 N -0.37 0.18 0.00 4.02 -0.02 -1.26 -1.93 135.00 135.62 1qx4 n PRO 66 Ca -0.09 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1qx4 n PRO 66 Cb 0.62 -1.92 0.21 0.00 -0.02 0.00 0.00 33.50 32.39 1qx4 n PRO 66 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qx4 n GLN 67 N -2.28 0.01 -2.28 -0.52 3.00 -1.26 -2.03 117.38 112.02 1qx4 n GLN 67 Ca 0.01 -0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1qx4 n GLN 67 Cb 0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.89 1qx4 n GLN 67 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1qx4 s HIS 68 N -2.99 3.06 0.36 1.08 3.76 -0.81 -4.39 115.29 115.35 1qx4 s HIS 68 Ca 0.11 1.53 0.09 0.00 -0.15 0.00 0.00 55.06 56.63 1qx4 s HIS 68 Cb 0.17 -3.00 -0.06 0.00 1.11 0.00 0.00 32.58 30.80 1qx4 s HIS 68 CO 0.72 -0.90 -0.03 0.96 -0.85 0.00 0.00 174.74 174.64 1qx4 s ILE 69 N -2.31 2.30 0.00 0.60 -4.36 0.64 0.04 121.20 118.11 1qx4 s ILE 69 Ca 0.64 -2.07 -0.25 0.00 -0.26 0.00 0.00 60.65 58.71 1qx4 s ILE 69 Cb -0.15 -2.78 -0.18 0.00 1.25 0.00 0.00 42.46 40.60 1qx4 s ILE 69 CO 0.30 -0.15 1.32 0.25 0.24 0.00 0.00 174.94 176.90 1qx4 h LEU 70 N 1.88 -0.11 -1.41 0.37 5.85 -1.84 0.13 115.31 120.18 1qx4 h LEU 70 Ca -0.43 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1qx4 h LEU 70 Cb 1.25 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1qx4 h LEU 70 CO 0.71 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 179.69 1qx4 n GLY 71 N -0.14 0.76 2.80 3.75 0.00 -1.26 -0.91 105.19 110.19 1qx4 n GLY 71 Ca -0.09 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1qx4 n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qx4 s LEU 72 N -1.29 2.60 0.45 0.99 2.96 -1.26 -4.46 118.68 118.67 1qx4 s LEU 72 Ca 0.00 -1.61 -0.24 0.00 -0.22 0.00 0.00 54.13 52.06 1qx4 s LEU 72 Cb 0.00 -1.00 -0.09 0.00 0.50 0.00 0.00 46.19 45.60 1qx4 s LEU 72 CO 0.00 -0.38 1.19 -2.65 -1.32 0.00 0.00 176.35 173.19 1qx4 n PRO 73 N 4.75 1.68 -1.71 0.98 -0.02 -1.26 -4.80 135.00 134.61 1qx4 n PRO 73 Ca -0.03 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1qx4 n PRO 73 Cb 0.43 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1qx4 n PRO 73 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1qx4 n ILE 74 N -0.49 0.06 0.00 4.25 2.08 -1.26 -0.99 119.36 123.01 1qx4 n ILE 74 Ca 0.08 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.38 1qx4 n ILE 74 Cb 0.41 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.30 1qx4 n ILE 74 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qx4 n GLY 75 N 4.00 2.79 3.95 7.39 0.00 -1.26 0.27 105.19 122.32 1qx4 n GLY 75 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1qx4 n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qx4 s GLN 76 N -0.64 2.83 0.37 1.61 -0.21 -0.16 -4.53 119.66 118.92 1qx4 s GLN 76 Ca 0.00 -1.25 0.05 0.00 0.02 0.00 0.00 55.36 54.18 1qx4 s GLN 76 Cb 0.00 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.34 1qx4 s GLN 76 CO 0.00 -0.09 0.18 -3.38 -2.12 0.00 0.00 175.29 169.88 1qx4 s HIS 77 N -2.32 1.74 0.46 0.91 -3.43 0.80 -4.85 115.29 108.60 1qx4 s HIS 77 Ca 0.48 -1.43 0.05 0.00 -0.80 0.00 0.00 55.06 53.36 1qx4 s HIS 77 Cb -0.08 -0.96 -0.04 0.00 -1.43 0.00 0.00 32.58 30.07 1qx4 s HIS 77 CO 0.30 -0.53 0.06 0.96 -2.00 0.00 0.00 174.74 173.54 1qx4 s ILE 78 N -3.35 1.72 0.03 -5.38 -5.25 -0.09 -0.48 121.20 108.39 1qx4 s ILE 78 Ca 0.31 -1.91 0.08 0.00 -0.99 0.00 0.00 60.65 58.13 1qx4 s ILE 78 Cb 0.03 -2.63 -0.02 0.00 2.95 0.00 0.00 42.46 42.78 1qx4 s ILE 78 CO 0.19 0.00 -0.23 -0.31 -1.79 0.00 0.00 174.94 172.80 1qx4 s TYR 79 N -2.76 2.03 -0.05 1.37 1.51 0.66 -0.93 117.35 119.18 1qx4 s TYR 79 Ca 0.25 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.89 1qx4 s TYR 79 Cb 0.05 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1qx4 s TYR 79 CO 0.13 0.07 0.13 -0.51 -1.11 0.00 0.00 175.55 174.27 1qx4 s LEU 80 N -1.04 4.22 -0.02 -1.29 1.43 0.26 -1.14 118.68 121.10 1qx4 s LEU 80 Ca 0.09 0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 1qx4 s LEU 80 Cb -0.09 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1qx4 s LEU 80 CO 0.01 0.32 0.27 -0.94 0.23 0.00 0.00 176.35 176.24 1qx4 s SER 81 N -1.52 -0.15 -0.12 2.29 1.04 0.46 -1.05 113.70 114.65 1qx4 s SER 81 Ca 0.21 0.06 -0.33 0.00 0.48 0.00 0.00 55.95 56.38 1qx4 s SER 81 Cb -0.12 0.31 0.12 0.00 0.10 0.00 0.00 66.02 66.44 1qx4 s SER 81 CO 0.12 -0.40 1.09 0.28 0.98 0.00 0.00 173.24 175.31 1qx4 s THR 82 N -1.20 0.00 -0.08 2.02 -1.32 -0.59 -2.25 115.64 112.22 1qx4 s THR 82 Ca -0.13 -0.01 -0.22 0.00 -1.21 0.00 0.00 61.69 60.12 1qx4 s THR 82 Cb -0.06 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 1qx4 s THR 82 CO 0.03 0.00 0.64 -0.60 -2.21 0.00 0.00 174.62 172.48 1qx4 s ARG 83 N -2.68 4.41 -0.13 7.08 3.52 -1.26 -0.50 118.95 129.40 1qx4 s ARG 83 Ca 0.08 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1qx4 s ARG 83 Cb -0.01 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1qx4 s ARG 83 CO -0.06 0.09 -0.12 0.42 -0.81 0.00 0.00 175.30 174.82 1qx4 s ILE 84 N 0.73 1.35 -1.44 4.11 1.01 0.86 -4.73 121.20 123.08 1qx4 s ILE 84 Ca 0.34 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 1qx4 s ILE 84 Cb -0.17 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.06 1qx4 s ILE 84 CO 0.16 0.42 0.83 0.47 0.00 0.00 0.00 174.94 176.82 1qx4 n ASP 85 N 4.71 -3.01 0.00 3.58 8.00 -1.26 -1.90 116.55 126.66 1qx4 n ASP 85 Ca -0.16 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1qx4 n ASP 85 Cb 0.50 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1qx4 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qx4 n GLY 86 N -1.66 2.46 3.52 0.44 0.00 -1.26 -5.01 105.19 103.67 1qx4 n GLY 86 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1qx4 n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qx4 s ASN 87 N -3.70 4.22 0.03 1.61 0.01 -0.80 -5.06 114.94 111.25 1qx4 s ASN 87 Ca 0.00 -0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 51.65 1qx4 s ASN 87 Cb 0.00 -0.91 -0.06 0.00 0.41 0.00 0.00 41.25 40.69 1qx4 s ASN 87 CO 0.00 0.32 1.33 -0.22 -1.51 0.00 0.00 177.10 177.02 1qx4 s LEU 88 N -1.03 4.33 -0.18 0.60 2.96 -1.26 -0.10 118.68 124.00 1qx4 s LEU 88 Ca 0.14 2.09 -0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1qx4 s LEU 88 Cb -0.11 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1qx4 s LEU 88 CO 0.03 -0.64 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.58 1qx4 s VAL 89 N 1.86 2.49 -0.09 1.68 1.01 0.34 -4.90 120.40 122.80 1qx4 s VAL 89 Ca 0.62 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1qx4 s VAL 89 Cb -0.31 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1qx4 s VAL 89 CO 0.27 0.51 -0.04 -0.51 0.00 0.00 0.00 175.10 175.33 1qx4 s ILE 90 N 1.18 0.70 0.07 2.22 2.07 -1.26 -1.54 121.20 124.64 1qx4 s ILE 90 Ca 0.02 -0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1qx4 s ILE 90 Cb -0.14 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 1qx4 s ILE 90 CO -0.07 0.31 -0.12 -0.13 -1.91 0.00 0.00 174.94 173.02 1qx4 s ARG 91 N 1.70 0.76 0.23 3.50 1.81 -0.22 -4.94 118.95 121.79 1qx4 s ARG 91 Ca 0.03 -0.97 -0.22 0.00 -1.72 0.00 0.00 55.73 52.85 1qx4 s ARG 91 Cb -0.13 -0.62 -0.08 0.00 -0.45 0.00 0.00 34.95 33.67 1qx4 s ARG 91 CO -0.06 0.12 0.77 -1.25 -0.68 0.00 0.00 175.30 174.21 1qx4 s PRO 92 N -2.00 4.38 -0.10 3.54 0.04 -1.26 -0.57 135.00 139.03 1qx4 s PRO 92 Ca -0.02 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.95 1qx4 s PRO 92 Cb -0.08 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.54 1qx4 s PRO 92 CO 0.01 0.41 0.25 0.71 0.04 0.00 0.00 177.00 178.43 1qx4 s TYR 93 N -1.46 -0.28 -0.33 0.56 2.02 -0.11 -4.93 117.35 112.83 1qx4 s TYR 93 Ca 0.43 0.68 -0.07 0.00 -0.37 0.00 0.00 57.07 57.74 1qx4 s TYR 93 Cb -0.18 0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.49 1qx4 s TYR 93 CO 0.23 -0.14 0.11 0.99 -1.57 0.00 0.00 175.55 175.17 1qx4 s THR 94 N 0.20 3.99 0.68 -0.71 2.01 -1.26 -0.91 115.64 119.64 1qx4 s THR 94 Ca -0.01 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 1qx4 s THR 94 Cb -0.02 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1qx4 s THR 94 CO -0.00 -0.08 0.91 -2.65 -0.69 0.00 0.00 174.62 172.11 1qx4 n PRO 95 N 4.86 0.62 0.00 4.92 -0.02 -1.26 -4.67 135.00 139.45 1qx4 n PRO 95 Ca -0.13 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 1qx4 n PRO 95 Cb 0.46 -2.15 0.12 0.00 -0.02 0.00 0.00 33.50 31.92 1qx4 n PRO 95 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1qx4 n VAL 96 N -2.21 0.00 -2.04 -1.45 0.24 0.78 -4.81 118.33 108.84 1qx4 n VAL 96 Ca 0.13 -0.20 -0.28 0.00 -2.04 0.00 0.00 64.34 61.95 1qx4 n VAL 96 Cb 0.49 0.94 0.13 0.00 -1.47 0.00 0.00 33.84 33.92 1qx4 n VAL 96 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1qx4 s SER 97 N -2.52 3.99 0.39 -1.34 1.04 -1.17 -4.98 113.70 109.11 1qx4 s SER 97 Ca 0.20 0.40 0.06 0.00 0.48 0.00 0.00 55.95 57.08 1qx4 s SER 97 Cb 0.18 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 1qx4 s SER 97 CO 0.57 -2.17 0.20 -0.94 0.98 0.00 0.00 173.24 171.88 1qx4 s SER 98 N -4.71 2.39 0.00 7.02 1.04 -1.26 -4.91 113.70 113.27 1qx4 s SER 98 Ca 0.67 -1.75 0.10 0.00 0.48 0.00 0.00 55.95 55.45 1qx4 s SER 98 Cb -0.08 0.58 0.62 0.00 0.10 0.00 0.00 66.02 67.25 1qx4 s SER 98 CO 0.49 -1.02 1.25 0.47 0.98 0.00 0.00 173.24 175.41 1qx4 n ASP 99 N -1.50 0.00 0.09 7.02 8.00 -1.26 -1.25 116.55 127.65 1qx4 n ASP 99 Ca -0.00 -1.31 0.12 0.00 0.71 0.00 0.00 54.79 54.31 1qx4 n ASP 99 Cb 0.64 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.81 1qx4 n ASP 99 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1qx4 h ASP 100 N 0.00 0.00 -3.34 -2.24 3.45 -1.99 -3.45 116.42 108.85 1qx4 h ASP 100 Ca 0.00 -0.11 -0.59 0.00 0.43 0.00 0.00 57.03 56.75 1qx4 h ASP 100 Cb 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.68 1qx4 h ASP 100 CO 0.00 0.06 0.36 -1.81 -1.57 0.00 0.00 179.24 176.27 1qx4 s ASP 101 N -4.85 6.78 0.01 6.45 1.01 -0.38 -5.04 116.67 120.66 1qx4 s ASP 101 Ca 0.03 0.97 -0.04 0.00 0.71 0.00 0.00 52.55 54.22 1qx4 s ASP 101 Cb 0.11 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1qx4 s ASP 101 CO 0.76 -0.44 0.22 -0.54 0.21 0.00 0.00 175.17 175.38 1qx4 s LYS 102 N 2.56 3.50 0.00 8.23 1.02 -1.26 -4.49 119.74 129.30 1qx4 s LYS 102 Ca 0.33 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1qx4 s LYS 102 Cb -0.16 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1qx4 s LYS 102 CO 0.09 0.65 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 1qx4 n GLY 103 N 0.90 2.97 3.37 -3.33 0.00 0.11 -4.89 105.19 104.32 1qx4 n GLY 103 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1qx4 n GLY 103 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qx4 s PHE 104 N -1.71 0.21 -0.04 1.61 -0.12 -1.26 -0.41 117.98 116.26 1qx4 s PHE 104 Ca 0.00 -0.57 0.04 0.00 -0.05 0.00 0.00 56.93 56.35 1qx4 s PHE 104 Cb 0.00 0.08 -0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1qx4 s PHE 104 CO 0.00 -0.76 -0.16 0.54 -0.05 0.00 0.00 175.22 174.80 1qx4 s VAL 105 N -3.92 1.30 -0.20 -2.49 0.11 0.27 -4.80 120.40 110.66 1qx4 s VAL 105 Ca 0.13 -0.65 -0.02 0.00 -2.93 0.00 0.00 61.98 58.51 1qx4 s VAL 105 Cb 0.02 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1qx4 s VAL 105 CO -0.02 0.38 -0.10 -0.62 -3.33 0.00 0.00 175.10 171.41 1qx4 s ASP 106 N 0.05 3.90 -0.10 3.54 3.68 -1.26 -0.47 116.67 126.00 1qx4 s ASP 106 Ca -0.03 -0.47 -0.01 0.00 2.13 0.00 0.00 52.55 54.17 1qx4 s ASP 106 Cb -0.11 -1.65 -0.03 0.00 -1.45 0.00 0.00 42.92 39.69 1qx4 s ASP 106 CO 0.02 -0.00 -0.06 -0.76 0.13 0.00 0.00 175.17 174.49 1qx4 s LEU 107 N 1.34 3.17 -0.25 -1.34 1.43 0.12 -0.16 118.68 122.99 1qx4 s LEU 107 Ca 0.04 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1qx4 s LEU 107 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1qx4 s LEU 107 CO -0.06 0.28 0.09 -0.69 0.23 0.00 0.00 176.35 176.21 1qx4 s VAL 108 N -0.34 4.52 -0.03 -1.59 1.01 -1.26 0.01 120.40 122.73 1qx4 s VAL 108 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1qx4 s VAL 108 Cb -0.12 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1qx4 s VAL 108 CO 0.02 0.33 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 1qx4 s VAL 109 N 1.55 1.29 -0.16 2.92 1.01 0.00 -4.94 120.40 122.08 1qx4 s VAL 109 Ca 0.06 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1qx4 s VAL 109 Cb -0.15 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1qx4 s VAL 109 CO 0.05 0.37 0.34 -0.75 0.00 0.00 0.00 175.10 175.11 1qx4 s LYS 110 N -0.14 4.27 -0.13 2.72 2.20 -1.26 -1.07 119.74 126.34 1qx4 s LYS 110 Ca 0.01 0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.74 1qx4 s LYS 110 Cb -0.09 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1qx4 s LYS 110 CO 0.01 0.20 0.07 0.08 -0.36 0.00 0.00 175.35 175.35 1qx4 s VAL 111 N 0.57 4.93 -0.39 4.02 1.01 0.30 -4.71 120.40 126.13 1qx4 s VAL 111 Ca 0.19 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1qx4 s VAL 111 Cb -0.14 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1qx4 s VAL 111 CO 0.05 0.57 0.39 -0.31 0.00 0.00 0.00 175.10 175.80 1qx4 s TYR 112 N -0.61 3.20 -0.10 5.22 2.02 -1.26 -4.75 117.35 121.06 1qx4 s TYR 112 Ca 0.11 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.38 1qx4 s TYR 112 Cb -0.12 -2.76 -0.05 0.00 -0.40 0.00 0.00 41.96 38.63 1qx4 s TYR 112 CO 0.02 -0.59 0.35 -0.06 -1.57 0.00 0.00 175.55 173.70 1qx4 s PHE 113 N 2.01 3.57 1.00 2.71 0.40 -1.26 -4.97 117.98 121.45 1qx4 s PHE 113 Ca 0.11 0.77 -0.20 0.00 -0.60 0.00 0.00 56.93 57.00 1qx4 s PHE 113 Cb -0.17 -2.32 -0.15 0.00 0.51 0.00 0.00 43.02 40.89 1qx4 s PHE 113 CO 0.12 0.41 -0.99 0.36 0.70 0.00 0.00 175.22 175.83 1qx4 n LYS 114 N 2.84 -0.04 -3.81 0.44 -0.00 -1.26 -5.19 118.16 111.14 1qx4 n LYS 114 Ca -0.13 -0.01 -0.32 0.00 -0.00 0.00 0.00 58.31 57.85 1qx4 n LYS 114 Cb 0.52 -1.04 0.02 0.00 -0.00 0.00 0.00 35.03 34.53 1qx4 n LYS 114 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1qx4 n GLU 115 N 2.27 -1.61 0.02 -1.58 4.71 -1.26 -5.30 120.64 117.89 1qx4 n GLU 115 Ca -0.02 0.38 -0.18 0.00 -0.01 0.00 0.00 57.16 57.33 1qx4 n GLU 115 Cb 0.62 -3.99 -0.14 0.00 -1.01 0.00 0.00 31.44 26.92 1qx4 n GLU 115 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qx4 h ALA 122 N 0.94 -0.06 0.00 0.62 0.00 -2.06 -3.55 119.26 115.16 1qx4 h ALA 122 Ca -0.66 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1qx4 h ALA 122 Cb 1.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1qx4 h ALA 122 CO 0.52 0.28 -0.53 0.41 0.00 0.00 0.00 179.25 179.93 1qx4 n GLY 123 N 1.61 0.00 2.40 0.00 0.00 -1.26 -5.01 105.19 102.92 1qx4 n GLY 123 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1qx4 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qx4 n GLY 124 N 2.51 0.20 0.19 -0.02 0.00 -1.26 -4.89 105.19 101.92 1qx4 n GLY 124 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1qx4 n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qx4 h LYS 125 N 0.00 0.44 -0.15 1.61 1.57 -1.97 -0.63 116.57 117.44 1qx4 h LYS 125 Ca -0.42 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1qx4 h LYS 125 Cb 1.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1qx4 h LYS 125 CO 0.53 0.29 0.02 1.98 -0.57 0.00 0.00 179.45 181.69 1qx4 h MET 126 N 0.45 0.26 -0.79 3.15 4.05 -1.96 0.38 114.93 120.48 1qx4 h MET 126 Ca 0.21 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1qx4 h MET 126 Cb 0.13 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 1qx4 h MET 126 CO -0.15 0.45 0.52 -1.35 0.23 0.00 0.00 176.91 176.61 1qx4 h PRO 127 N 0.03 0.96 -0.39 0.39 0.11 -1.80 0.16 132.00 131.45 1qx4 h PRO 127 Ca 0.05 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 1qx4 h PRO 127 Cb 0.32 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1qx4 h PRO 127 CO 0.00 0.63 -0.20 0.37 -0.21 0.00 0.00 178.00 178.60 1qx4 h GLN 128 N 0.99 0.77 -0.43 1.05 4.15 -0.76 0.21 115.11 121.09 1qx4 h GLN 128 Ca 0.31 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1qx4 h GLN 128 Cb 0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1qx4 h GLN 128 CO -0.09 0.91 0.25 -0.92 -1.93 0.00 0.00 178.83 177.05 1qx4 h TYR 129 N 0.68 0.57 -0.49 3.99 3.20 0.14 0.06 116.97 125.11 1qx4 h TYR 129 Ca 0.10 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1qx4 h TYR 129 Cb 0.70 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1qx4 h TYR 129 CO 0.04 0.40 0.30 -0.07 -1.64 0.00 0.00 178.16 177.19 1qx4 h LEU 130 N 0.56 0.59 -1.22 2.82 3.38 -0.23 -1.59 115.31 119.63 1qx4 h LEU 130 Ca 0.15 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1qx4 h LEU 130 Cb 0.01 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1qx4 h LEU 130 CO -0.03 0.48 0.58 -0.08 0.09 0.00 0.00 178.44 179.48 1qx4 h GLU 131 N 0.66 0.80 -0.01 1.13 4.57 -0.10 -1.12 114.58 120.51 1qx4 h GLU 131 Ca 0.18 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1qx4 h GLU 131 Cb -0.01 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1qx4 h GLU 131 CO -0.03 0.53 -0.03 0.09 -1.18 0.00 0.00 179.01 178.38 1qx4 n ASN 132 N -4.55 1.26 -4.78 1.04 3.02 -0.04 -4.90 115.26 106.31 1qx4 n ASN 132 Ca 0.16 -1.35 -0.37 0.00 -0.03 0.00 0.00 54.58 53.00 1qx4 n ASN 132 Cb 0.37 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 1qx4 n ASN 132 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1qx4 s MET 133 N -2.07 4.14 0.16 3.52 -1.94 -0.42 -5.04 119.30 117.65 1qx4 s MET 133 Ca 0.37 1.53 0.02 0.00 -1.71 0.00 0.00 55.69 55.90 1qx4 s MET 133 Cb 0.21 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1qx4 s MET 133 CO 0.36 -0.17 0.31 -0.80 -0.01 0.00 0.00 175.02 174.71 1qx4 s ASN 134 N -1.55 6.35 0.29 3.03 0.01 -1.26 -5.01 114.94 116.81 1qx4 s ASN 134 Ca 0.58 0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 52.67 1qx4 s ASN 134 Cb -0.22 -1.94 -0.12 0.00 0.41 0.00 0.00 41.25 39.38 1qx4 s ASN 134 CO 0.28 0.03 1.59 -0.38 -1.51 0.00 0.00 177.10 177.11 1qx4 n ILE 135 N -0.57 1.05 0.00 0.60 5.41 -1.26 -1.24 119.36 123.36 1qx4 n ILE 135 Ca -0.06 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1qx4 n ILE 135 Cb 0.54 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 1qx4 n ILE 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qx4 n GLY 136 N 2.11 3.44 3.77 7.39 0.00 0.17 -4.95 105.19 117.12 1qx4 n GLY 136 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1qx4 n GLY 136 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qx4 s ASP 137 N -1.01 5.33 0.20 1.61 1.01 -0.37 -4.51 116.67 118.93 1qx4 s ASP 137 Ca 0.00 2.14 0.08 0.00 0.71 0.00 0.00 52.55 55.48 1qx4 s ASP 137 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1qx4 s ASP 137 CO 0.00 -1.49 0.03 0.42 0.21 0.00 0.00 175.17 174.35 1qx4 s THR 138 N -1.98 3.80 -0.00 -1.27 -4.23 -1.26 0.45 115.64 111.15 1qx4 s THR 138 Ca 0.71 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1qx4 s THR 138 Cb -0.24 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.65 1qx4 s THR 138 CO 0.34 -0.19 0.09 -0.51 -0.54 0.00 0.00 174.62 173.82 1qx4 s ILE 139 N -1.89 0.07 0.02 2.99 2.07 -0.32 -4.88 121.20 119.26 1qx4 s ILE 139 Ca 0.29 -0.61 -0.26 0.00 -1.41 0.00 0.00 60.65 58.66 1qx4 s ILE 139 Cb -0.09 -0.34 -0.05 0.00 0.13 0.00 0.00 42.46 42.12 1qx4 s ILE 139 CO 0.20 -0.33 0.82 -1.61 -1.91 0.00 0.00 174.94 172.11 1qx4 s GLU 140 N -1.12 4.53 0.00 3.50 2.02 -0.95 -0.18 118.70 126.50 1qx4 s GLU 140 Ca -0.12 1.15 0.04 0.00 0.02 0.00 0.00 54.97 56.06 1qx4 s GLU 140 Cb -0.07 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1qx4 s GLU 140 CO 0.01 0.16 -0.11 -0.06 0.02 0.00 0.00 175.26 175.28 1qx4 s PHE 141 N 0.35 2.77 0.06 1.61 0.40 0.16 -0.41 117.98 122.92 1qx4 s PHE 141 Ca 0.42 -0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.55 1qx4 s PHE 141 Cb -0.20 -1.58 -0.00 0.00 0.51 0.00 0.00 43.02 41.75 1qx4 s PHE 141 CO 0.24 0.31 0.18 -0.98 0.70 0.00 0.00 175.22 175.67 1qx4 s ARG 142 N -1.31 0.73 0.00 0.44 1.70 -0.29 -0.29 118.95 119.93 1qx4 s ARG 142 Ca 0.15 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 1qx4 s ARG 142 Cb -0.11 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1qx4 s ARG 142 CO 0.06 -0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.47 1qx4 n GLY 143 N 0.42 -1.75 3.85 3.88 0.00 -1.25 -0.25 105.19 110.09 1qx4 n GLY 143 Ca -0.17 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1qx4 n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qx4 s PRO 144 N -1.93 3.75 0.01 1.61 0.04 -1.26 -3.54 135.00 133.68 1qx4 s PRO 144 Ca 0.00 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 1qx4 s PRO 144 Cb 0.00 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1qx4 s PRO 144 CO 0.00 -0.44 0.03 -0.80 0.04 0.00 0.00 177.00 175.83 1qx4 s ASN 145 N -3.43 0.15 0.00 6.66 0.01 0.36 -4.91 114.94 113.78 1qx4 s ASN 145 Ca 0.58 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 1qx4 s ASN 145 Cb -0.11 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.68 1qx4 s ASN 145 CO 0.40 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 1qx4 n GLY 146 N 1.64 4.91 0.07 0.66 0.00 -1.26 -0.14 105.19 111.07 1qx4 n GLY 146 Ca -0.23 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.05 1qx4 n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qx4 n LEU 147 N 0.00 0.38 -4.34 0.99 4.77 -1.26 -4.78 117.00 112.75 1qx4 n LEU 147 Ca 0.00 0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.78 1qx4 n LEU 147 Cb 0.00 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 40.67 1qx4 n LEU 147 CO 0.00 0.08 -0.51 -0.22 -1.33 0.00 0.00 177.39 175.41 1qx4 s LEU 148 N -2.71 2.38 -0.05 2.23 0.20 -1.26 0.27 118.68 119.73 1qx4 s LEU 148 Ca 0.21 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.65 1qx4 s LEU 148 Cb 0.19 -1.47 0.02 0.00 -0.43 0.00 0.00 46.19 44.50 1qx4 s LEU 148 CO 0.54 0.25 -0.05 -0.69 -0.29 0.00 0.00 176.35 176.11 1qx4 s VAL 149 N -0.20 0.61 -0.38 1.68 1.01 0.20 -3.64 120.40 119.69 1qx4 s VAL 149 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1qx4 s VAL 149 Cb -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1qx4 s VAL 149 CO 0.03 0.25 0.84 -0.47 0.00 0.00 0.00 175.10 175.75 1qx4 s TYR 150 N 1.06 3.07 -2.17 5.22 5.04 0.14 -0.38 117.35 129.34 1qx4 s TYR 150 Ca -0.09 0.55 0.29 0.00 -2.44 0.00 0.00 57.07 55.39 1qx4 s TYR 150 Cb -0.14 -3.56 1.26 0.00 0.35 0.00 0.00 41.96 39.87 1qx4 s TYR 150 CO -0.01 -0.83 1.87 1.04 -1.34 0.00 0.00 175.55 176.28 1qx4 n GLN 151 N 6.63 1.27 0.00 4.97 6.02 0.25 -4.46 117.38 132.06 1qx4 n GLN 151 Ca 0.04 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 1qx4 n GLN 151 Cb 0.48 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1qx4 n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qx4 n GLY 152 N 1.16 1.05 3.97 1.08 0.00 -1.19 -4.86 105.19 106.40 1qx4 n GLY 152 Ca 0.19 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1qx4 n GLY 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qx4 n LYS 153 N 1.18 -4.63 -0.77 1.61 4.76 -1.26 -0.61 118.16 118.43 1qx4 n LYS 153 Ca 0.00 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1qx4 n LYS 153 Cb 0.00 -5.25 0.00 0.00 -1.84 0.00 0.00 35.03 27.94 1qx4 n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qx4 n GLY 154 N -1.64 0.88 3.62 0.72 0.00 -1.26 -4.82 105.19 102.69 1qx4 n GLY 154 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1qx4 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qx4 s LYS 155 N -0.24 4.05 -0.09 1.61 1.02 0.22 -0.27 119.74 126.03 1qx4 s LYS 155 Ca 0.00 0.57 0.02 0.00 0.02 0.00 0.00 55.97 56.58 1qx4 s LYS 155 Cb 0.00 -3.68 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1qx4 s LYS 155 CO 0.00 -0.51 -0.16 -0.06 -0.92 0.00 0.00 175.35 173.70 1qx4 s PHE 156 N 2.67 2.71 -0.31 3.18 0.40 0.07 0.84 117.98 127.54 1qx4 s PHE 156 Ca 0.29 -0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 56.03 1qx4 s PHE 156 Cb -0.15 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.66 1qx4 s PHE 156 CO 0.10 -0.09 0.09 0.00 0.70 0.00 0.00 175.22 176.01 1qx4 s ALA 157 N -0.08 3.07 -0.13 5.36 0.00 0.49 -0.91 121.76 129.56 1qx4 s ALA 157 Ca -0.03 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.44 1qx4 s ALA 157 Cb -0.14 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1qx4 s ALA 157 CO 0.04 -1.02 -0.22 0.42 0.00 0.00 0.00 175.76 174.98 1qx4 s ILE 158 N 1.48 2.02 -0.09 0.00 1.01 -0.11 -0.62 121.20 124.88 1qx4 s ILE 158 Ca 0.02 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 1qx4 s ILE 158 Cb -0.18 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1qx4 s ILE 158 CO 0.03 0.54 0.24 -0.13 0.00 0.00 0.00 174.94 175.62 1qx4 s ARG 159 N 0.73 3.73 0.30 2.79 0.52 0.14 0.53 118.95 127.70 1qx4 s ARG 159 Ca -0.09 0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1qx4 s ARG 159 Cb -0.16 -3.24 0.48 0.00 0.52 0.00 0.00 34.95 32.55 1qx4 s ARG 159 CO 0.00 0.66 1.85 0.00 0.02 0.00 0.00 175.30 177.83 1qx4 h ALA 160 N 5.20 1.28 -3.00 2.13 0.00 -1.85 -3.45 119.26 119.57 1qx4 h ALA 160 Ca -0.51 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1qx4 h ALA 160 Cb 1.21 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1qx4 h ALA 160 CO 0.62 0.50 0.22 0.16 0.00 0.00 0.00 179.25 180.76 1qx4 s ASP 161 N -6.64 -0.24 0.41 0.00 1.47 -1.26 -5.01 116.67 105.40 1qx4 s ASP 161 Ca -0.09 -0.64 0.22 0.00 1.18 0.00 0.00 52.55 53.22 1qx4 s ASP 161 Cb 0.15 0.73 1.22 0.00 -0.34 0.00 0.00 42.92 44.68 1qx4 s ASP 161 CO 0.79 -1.36 1.72 0.11 0.68 0.00 0.00 175.17 177.10 1qx4 h LYS 162 N 2.01 0.27 -0.02 2.11 1.57 -1.96 -0.10 116.57 120.45 1qx4 h LYS 162 Ca -0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1qx4 h LYS 162 Cb 1.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1qx4 h LYS 162 CO 0.24 0.18 -0.01 1.63 -0.57 0.00 0.00 179.45 180.93 1qx4 n LYS 163 N -4.66 1.92 -3.75 3.15 5.02 -1.26 -4.93 118.16 113.65 1qx4 n LYS 163 Ca 0.29 -1.34 -0.30 0.00 -2.02 0.00 0.00 58.31 54.95 1qx4 n LYS 163 Cb 1.07 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.57 1qx4 n LYS 163 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1qx4 s SER 164 N -2.01 6.42 0.22 4.39 0.01 -0.05 -5.06 113.70 117.62 1qx4 s SER 164 Ca 0.34 0.43 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 1qx4 s SER 164 Cb 0.21 -2.02 -0.08 0.00 0.21 0.00 0.00 66.02 64.33 1qx4 s SER 164 CO 0.32 0.04 1.07 0.20 0.41 0.00 0.00 173.24 175.28 1qx4 s ASN 165 N -2.76 7.33 0.59 2.44 0.01 -1.26 -4.74 114.94 116.55 1qx4 s ASN 165 Ca 0.38 2.12 -0.19 0.00 -0.71 0.00 0.00 52.86 54.46 1qx4 s ASN 165 Cb -0.12 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 1qx4 s ASN 165 CO 0.27 -0.13 1.25 -2.16 -1.51 0.00 0.00 177.10 174.83 1qx4 s PRO 166 N -0.86 2.97 -0.25 -0.60 0.04 -1.26 -4.65 135.00 130.40 1qx4 s PRO 166 Ca 0.46 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 1qx4 s PRO 166 Cb -0.30 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1qx4 s PRO 166 CO 0.36 -1.24 0.42 0.08 0.04 0.00 0.00 177.00 176.67 1qx4 s VAL 167 N -1.49 5.15 -0.20 -0.36 1.01 0.19 -4.76 120.40 119.94 1qx4 s VAL 167 Ca 0.76 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1qx4 s VAL 167 Cb -0.34 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1qx4 s VAL 167 CO 0.37 0.16 0.16 -0.69 0.00 0.00 0.00 175.10 175.10 1qx4 s VAL 168 N 1.95 5.39 0.00 2.92 1.01 -1.26 -0.93 120.40 129.48 1qx4 s VAL 168 Ca 0.18 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1qx4 s VAL 168 Cb -0.15 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1qx4 s VAL 168 CO 0.09 0.42 0.00 -0.13 0.00 0.00 0.00 175.10 175.48 1qx4 s ARG 169 N 0.47 0.09 -0.17 2.72 0.52 -0.09 -4.97 118.95 117.52 1qx4 s ARG 169 Ca 0.09 -0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 55.08 1qx4 s ARG 169 Cb -0.12 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 1qx4 s ARG 169 CO -0.00 -0.01 0.08 0.99 0.02 0.00 0.00 175.30 176.37 1qx4 s THR 170 N -0.37 4.93 0.34 0.02 2.01 -1.26 -0.75 115.64 120.56 1qx4 s THR 170 Ca -0.04 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.05 1qx4 s THR 170 Cb -0.03 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 69.21 1qx4 s THR 170 CO -0.00 0.48 -0.04 0.68 -0.69 0.00 0.00 174.62 175.05 1qx4 s VAL 171 N 0.16 1.93 -0.07 3.82 -7.23 0.62 -4.77 120.40 114.85 1qx4 s VAL 171 Ca 0.06 -2.11 0.12 0.00 -1.81 0.00 0.00 61.98 58.23 1qx4 s VAL 171 Cb -0.12 -2.71 -0.17 0.00 0.56 0.00 0.00 36.38 33.94 1qx4 s VAL 171 CO 0.00 -0.15 0.15 0.29 -0.31 0.00 0.00 175.10 175.08 1qx4 n LYS 172 N -0.78 1.32 -4.52 4.82 5.02 0.01 -4.42 118.16 119.61 1qx4 n LYS 172 Ca -0.05 -0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 55.95 1qx4 n LYS 172 Cb 0.65 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 34.19 1qx4 n LYS 172 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1qx4 s SER 173 N -4.02 1.62 -0.25 4.39 0.01 -0.09 -0.79 113.70 114.56 1qx4 s SER 173 Ca -0.05 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.95 1qx4 s SER 173 Cb 0.06 -0.73 0.04 0.00 0.21 0.00 0.00 66.02 65.60 1qx4 s SER 173 CO 0.51 0.03 -0.09 -0.69 0.41 0.00 0.00 173.24 173.40 1qx4 s VAL 174 N 0.66 2.47 0.23 3.43 1.01 0.58 -1.45 120.40 127.34 1qx4 s VAL 174 Ca -0.13 -1.34 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 1qx4 s VAL 174 Cb -0.15 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 1qx4 s VAL 174 CO 0.03 0.10 0.72 -0.83 0.00 0.00 0.00 175.10 175.12 1qx4 s GLY 175 N 1.21 2.57 -0.03 4.51 0.00 0.16 -0.12 107.32 115.62 1qx4 s GLY 175 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1qx4 s GLY 175 CO -0.05 0.47 0.03 1.06 0.00 0.00 0.00 173.10 174.60 1qx4 s MET 176 N -2.11 0.11 -0.22 2.90 -1.94 0.29 0.54 119.30 118.87 1qx4 s MET 176 Ca 0.44 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.63 1qx4 s MET 176 Cb -0.16 -0.46 0.03 0.00 2.01 0.00 0.00 34.83 36.24 1qx4 s MET 176 CO 0.20 -0.22 -0.13 0.42 -0.01 0.00 0.00 175.02 175.28 1qx4 s ILE 177 N 1.48 2.45 -0.01 2.53 1.01 0.10 0.29 121.20 129.05 1qx4 s ILE 177 Ca -0.04 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 59.64 1qx4 s ILE 177 Cb -0.13 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1qx4 s ILE 177 CO -0.03 0.33 -0.22 0.00 0.00 0.00 0.00 174.94 175.03 1qx4 s ALA 178 N 1.29 1.79 -0.16 9.38 0.00 -0.25 -1.15 121.76 132.66 1qx4 s ALA 178 Ca 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1qx4 s ALA 178 Cb -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1qx4 s ALA 178 CO -0.08 0.44 -0.21 0.20 0.00 0.00 0.00 175.76 176.11 1qx4 s GLY 179 N -0.54 1.37 0.00 0.00 0.00 0.12 0.77 107.32 109.04 1qx4 s GLY 179 Ca 0.08 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1qx4 s GLY 179 CO -0.01 0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.83 1qx4 n GLY 180 N 4.34 3.34 0.00 0.20 0.00 0.21 -0.59 105.19 112.69 1qx4 n GLY 180 Ca -0.20 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.80 1qx4 n GLY 180 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qx4 n THR 181 N 0.00 1.16 0.47 2.61 -2.24 -1.26 -0.70 114.28 114.33 1qx4 n THR 181 Ca 0.00 0.29 0.05 0.00 -2.27 0.00 0.00 64.05 62.12 1qx4 n THR 181 Cb 0.00 -1.19 0.25 0.00 -2.10 0.00 0.00 70.33 67.29 1qx4 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qx4 n GLY 182 N -0.82 -0.58 0.19 3.38 0.00 0.24 -1.25 105.19 106.35 1qx4 n GLY 182 Ca 0.02 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1qx4 n GLY 182 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qx4 h ILE 183 N 0.00 1.11 -0.84 -0.61 6.09 -1.09 -3.27 117.51 118.90 1qx4 h ILE 183 Ca 0.00 -1.38 -0.03 0.00 -1.37 0.00 0.00 64.86 62.08 1qx4 h ILE 183 Cb 0.08 1.78 -0.04 0.00 0.47 0.00 0.00 36.82 39.11 1qx4 h ILE 183 CO 0.00 0.37 0.39 0.71 -3.07 0.00 0.00 178.15 176.56 1qx4 h THR 184 N 0.00 1.26 -0.04 2.19 1.35 -1.42 0.56 112.91 116.81 1qx4 h THR 184 Ca -0.00 -0.75 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 1qx4 h THR 184 Cb 0.75 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 1qx4 h THR 184 CO 0.05 0.32 -0.30 -0.65 -0.25 0.00 0.00 175.52 174.69 1qx4 h PRO 185 N 1.21 0.07 -0.08 4.72 0.11 -1.78 -1.36 132.00 134.89 1qx4 h PRO 185 Ca 0.29 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.30 1qx4 h PRO 185 Cb 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1qx4 h PRO 185 CO -0.03 0.36 -0.24 0.52 -0.21 0.00 0.00 178.00 178.40 1qx4 h MET 186 N 0.06 0.31 -0.62 1.05 2.86 -1.26 -2.91 114.93 114.42 1qx4 h MET 186 Ca 0.01 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1qx4 h MET 186 Cb 0.56 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1qx4 h MET 186 CO 0.04 0.84 0.34 1.25 1.06 0.00 0.00 176.91 180.44 1qx4 h LEU 187 N -0.17 0.76 -0.66 1.22 5.85 0.28 0.30 115.31 122.88 1qx4 h LEU 187 Ca -0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1qx4 h LEU 187 Cb 0.85 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1qx4 h LEU 187 CO 0.05 0.61 0.43 -0.61 -0.34 0.00 0.00 178.44 178.58 1qx4 h GLN 188 N 0.86 0.88 -0.06 1.25 4.15 -1.20 0.23 115.11 121.22 1qx4 h GLN 188 Ca 0.22 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1qx4 h GLN 188 Cb 0.02 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 1qx4 h GLN 188 CO -0.04 0.60 -0.05 0.28 -1.93 0.00 0.00 178.83 177.69 1qx4 h VAL 189 N 0.90 1.36 -0.34 2.39 2.07 -0.97 -1.56 116.25 120.11 1qx4 h VAL 189 Ca 0.24 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.65 1qx4 h VAL 189 Cb -0.08 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1qx4 h VAL 189 CO -0.05 0.32 -0.09 0.40 0.02 0.00 0.00 177.57 178.17 1qx4 h ILE 190 N -0.28 0.65 -0.43 4.57 2.04 -0.23 0.14 117.51 123.96 1qx4 h ILE 190 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1qx4 h ILE 190 Cb 0.55 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1qx4 h ILE 190 CO 0.01 0.00 0.11 0.03 0.00 0.00 0.00 178.15 178.30 1qx4 h ARG 191 N -0.01 0.64 -0.41 2.37 3.08 -0.53 0.17 114.38 119.70 1qx4 h ARG 191 Ca 0.16 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1qx4 h ARG 191 Cb 0.26 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1qx4 h ARG 191 CO -0.35 0.59 0.07 0.00 -1.07 0.00 0.00 179.97 179.21 1qx4 h ALA 192 N 1.49 0.55 0.26 0.04 0.00 -0.08 -0.12 119.26 121.40 1qx4 h ALA 192 Ca 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qx4 h ALA 192 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qx4 h ALA 192 CO -0.00 0.25 -0.13 0.28 0.00 0.00 0.00 179.25 179.65 1qx4 h VAL 193 N 0.53 0.78 -0.12 0.00 2.07 -0.19 -3.19 116.25 116.13 1qx4 h VAL 193 Ca 0.13 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1qx4 h VAL 193 Cb 0.36 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1qx4 h VAL 193 CO 0.01 0.06 -0.11 -0.07 0.02 0.00 0.00 177.57 177.48 1qx4 h LEU 194 N -0.49 0.17 -0.05 2.57 3.38 -0.57 -2.04 115.31 118.27 1qx4 h LEU 194 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1qx4 h LEU 194 Cb 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1qx4 h LEU 194 CO 0.06 0.30 0.00 2.29 0.09 0.00 0.00 178.44 181.18 1qx4 n LYS 195 N -4.32 0.06 -3.27 1.13 2.85 -0.07 -4.35 118.16 110.19 1qx4 n LYS 195 Ca -0.01 0.12 -0.46 0.00 -1.05 0.00 0.00 58.31 56.92 1qx4 n LYS 195 Cb 0.24 -1.58 -0.05 0.00 -0.65 0.00 0.00 35.03 32.99 1qx4 n LYS 195 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qx4 s ASP 196 N -3.33 6.19 0.43 -5.58 -1.08 -0.77 -4.90 116.67 107.63 1qx4 s ASP 196 Ca 0.11 -1.73 0.26 0.00 -0.52 0.00 0.00 52.55 50.68 1qx4 s ASP 196 Cb 0.15 -2.23 1.42 0.00 -1.46 0.00 0.00 42.92 40.81 1qx4 s ASP 196 CO 0.47 -0.91 1.78 1.55 0.52 0.00 0.00 175.17 178.58 1qx4 h PRO 197 N 8.94 0.00 -0.65 4.34 0.13 -1.81 -0.58 132.00 142.38 1qx4 h PRO 197 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1qx4 h PRO 197 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qx4 h PRO 197 CO 1.05 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.91 1qx4 n ASN 198 N -2.47 3.73 -4.52 1.44 3.02 -1.26 -4.81 115.26 110.40 1qx4 n ASN 198 Ca -0.02 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 1qx4 n ASN 198 Cb 0.12 -0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 1qx4 n ASN 198 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qx4 s ASP 199 N -1.00 6.26 0.00 6.41 -1.08 -0.23 -4.88 116.67 122.15 1qx4 s ASP 199 Ca 0.43 -0.38 0.29 0.00 -0.52 0.00 0.00 52.55 52.38 1qx4 s ASP 199 Cb 0.23 -2.26 1.38 0.00 -1.46 0.00 0.00 42.92 40.80 1qx4 s ASP 199 CO 0.30 -0.60 1.94 1.41 0.52 0.00 0.00 175.17 178.73 1qx4 n HIS 200 N 5.81 0.00 -1.71 -5.34 8.25 -1.26 -4.90 115.22 116.08 1qx4 n HIS 200 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 1qx4 n HIS 200 Cb 0.48 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 1qx4 n HIS 200 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1qx4 n THR 201 N -0.60 1.71 -4.45 1.59 -1.04 -1.26 -4.97 114.28 105.26 1qx4 n THR 201 Ca 0.19 -0.43 -0.34 0.00 -2.04 0.00 0.00 64.05 61.44 1qx4 n THR 201 Cb 0.25 -1.63 -0.13 0.00 -1.82 0.00 0.00 70.33 67.00 1qx4 n THR 201 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qx4 s VAL 202 N -0.80 3.67 -0.15 12.58 1.01 0.03 -4.75 120.40 131.99 1qx4 s VAL 202 Ca 0.58 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1qx4 s VAL 202 Cb -0.57 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1qx4 s VAL 202 CO 0.59 0.49 0.07 0.00 0.00 0.00 0.00 175.10 176.25 1qx4 s TYR 204 N -0.17 2.89 -0.13 0.00 1.51 0.83 -0.10 117.35 122.18 1qx4 s TYR 204 Ca 0.08 -1.80 -0.03 0.00 -1.01 0.00 0.00 57.07 54.31 1qx4 s TYR 204 Cb -0.12 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1qx4 s TYR 204 CO 0.01 -0.83 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.42 1qx4 s LEU 205 N 1.25 3.29 -0.30 -1.29 2.96 0.85 0.10 118.68 125.54 1qx4 s LEU 205 Ca 0.02 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1qx4 s LEU 205 Cb -0.15 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.85 1qx4 s LEU 205 CO -0.11 0.22 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.91 1qx4 s LEU 206 N 0.03 3.97 -0.28 -0.68 2.96 0.15 -0.35 118.68 124.48 1qx4 s LEU 206 Ca 0.00 -1.79 -0.07 0.00 -0.22 0.00 0.00 54.13 52.05 1qx4 s LEU 206 Cb -0.13 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1qx4 s LEU 206 CO 0.03 -0.31 0.08 0.12 -1.32 0.00 0.00 176.35 174.95 1qx4 s PHE 207 N 1.06 3.12 -0.13 5.38 5.36 0.40 -1.09 117.98 132.07 1qx4 s PHE 207 Ca 0.03 -0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 55.26 1qx4 s PHE 207 Cb -0.19 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1qx4 s PHE 207 CO -0.08 -0.47 0.00 0.00 -1.46 0.00 0.00 175.22 173.21 1qx4 s ALA 208 N 1.56 3.21 0.17 11.12 0.00 0.23 -1.27 121.76 136.79 1qx4 s ALA 208 Ca 0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1qx4 s ALA 208 Cb -0.16 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1qx4 s ALA 208 CO 0.03 0.37 0.21 -0.80 0.00 0.00 0.00 175.76 175.57 1qx4 s ASN 209 N -0.19 0.13 0.36 0.00 0.01 -0.53 -0.62 114.94 114.10 1qx4 s ASN 209 Ca 0.05 -1.09 0.08 0.00 -0.71 0.00 0.00 52.86 51.20 1qx4 s ASN 209 Cb -0.13 0.40 0.69 0.00 0.41 0.00 0.00 41.25 42.62 1qx4 s ASN 209 CO 0.02 -0.86 1.86 1.56 -1.51 0.00 0.00 177.10 178.17 1qx4 h GLN 210 N 2.62 0.27 -2.82 -0.60 4.20 -1.87 0.27 115.11 117.17 1qx4 h GLN 210 Ca -0.33 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.40 1qx4 h GLN 210 Cb 1.23 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.93 1qx4 h GLN 210 CO 0.51 0.45 0.31 -1.54 -0.67 0.00 0.00 178.83 177.89 1qx4 s SER 211 N -6.87 -0.20 0.22 1.46 1.04 -1.26 -1.10 113.70 106.99 1qx4 s SER 211 Ca -0.05 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 1qx4 s SER 211 Cb 0.15 0.68 0.26 0.00 0.10 0.00 0.00 66.02 67.20 1qx4 s SER 211 CO 0.74 -1.26 1.83 -0.08 0.98 0.00 0.00 173.24 175.45 1qx4 h GLU 212 N 2.00 0.77 0.00 4.02 4.81 -1.90 0.07 114.58 124.35 1qx4 h GLU 212 Ca -0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1qx4 h GLU 212 Cb 1.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1qx4 h GLU 212 CO 0.26 0.51 0.00 1.57 -0.73 0.00 0.00 179.01 180.62 1qx4 h LYS 213 N 0.79 0.00 -0.31 1.92 2.10 -1.96 -1.42 116.57 117.70 1qx4 h LYS 213 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1qx4 h LYS 213 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1qx4 h LYS 213 CO -0.17 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.03 1qx4 n ASP 214 N -2.95 2.39 -4.56 7.07 10.43 0.00 -4.74 116.55 124.19 1qx4 n ASP 214 Ca -0.02 -1.86 -0.36 0.00 2.57 0.00 0.00 54.79 55.11 1qx4 n ASP 214 Cb 0.12 -0.20 -0.04 0.00 1.84 0.00 0.00 41.12 42.84 1qx4 n ASP 214 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1qx4 s ILE 215 N -1.60 3.78 0.22 0.53 1.01 -0.54 -4.72 121.20 119.89 1qx4 s ILE 215 Ca 0.34 -0.71 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 1qx4 s ILE 215 Cb 0.19 -4.74 -0.12 0.00 0.01 0.00 0.00 42.46 37.80 1qx4 s ILE 215 CO 0.26 -1.62 1.62 -0.11 0.00 0.00 0.00 174.94 175.10 1qx4 n LEU 216 N 10.55 3.80 -1.86 2.97 7.94 -1.26 -2.39 117.00 136.74 1qx4 n LEU 216 Ca 0.36 1.10 -0.19 0.00 -1.11 0.00 0.00 56.01 56.17 1qx4 n LEU 216 Cb 0.49 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 42.88 1qx4 n LEU 216 CO 0.65 -0.00 -0.22 0.18 -1.11 0.00 0.00 177.39 176.89 1qx4 n LEU 217 N 3.17 -1.67 -0.15 -1.96 4.77 -1.26 -4.89 117.00 115.02 1qx4 n LEU 217 Ca 0.14 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.25 1qx4 n LEU 217 Cb 0.34 -2.65 0.06 0.00 -2.33 0.00 0.00 43.42 38.83 1qx4 n LEU 217 CO 0.64 -0.49 0.90 -0.09 -1.33 0.00 0.00 177.39 177.02 1qx4 h ARG 218 N 0.00 0.20 -0.73 3.23 2.43 -1.89 0.14 114.38 117.77 1qx4 h ARG 218 Ca -0.42 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1qx4 h ARG 218 Cb 1.29 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 1qx4 h ARG 218 CO 0.54 0.13 0.42 -1.35 -1.51 0.00 0.00 179.97 178.20 1qx4 h PRO 219 N 0.21 0.76 -0.21 0.20 0.11 -1.90 0.27 132.00 131.43 1qx4 h PRO 219 Ca 0.23 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1qx4 h PRO 219 Cb 0.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1qx4 h PRO 219 CO -0.32 0.50 0.12 0.93 -0.21 0.00 0.00 178.00 179.02 1qx4 h GLU 220 N 0.78 0.28 -0.03 1.05 3.07 -1.62 -0.92 114.58 117.20 1qx4 h GLU 220 Ca 0.32 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1qx4 h GLU 220 Cb 0.18 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1qx4 h GLU 220 CO -0.18 0.24 0.02 -0.07 -1.40 0.00 0.00 179.01 177.62 1qx4 h LEU 221 N 0.25 0.04 -1.28 1.33 3.38 -0.04 -1.28 115.31 117.71 1qx4 h LEU 221 Ca 0.07 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1qx4 h LEU 221 Cb 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1qx4 h LEU 221 CO -0.01 0.08 -0.17 -0.33 0.09 0.00 0.00 178.44 178.09 1qx4 h GLU 222 N -0.01 0.27 -0.27 1.13 5.08 -0.42 0.34 114.58 120.71 1qx4 h GLU 222 Ca 0.01 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1qx4 h GLU 222 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1qx4 h GLU 222 CO -0.00 0.45 -0.19 1.49 -1.00 0.00 0.00 179.01 179.76 1qx4 h GLU 223 N 0.26 0.61 -0.49 2.33 4.81 -0.95 0.77 114.58 121.91 1qx4 h GLU 223 Ca 0.05 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1qx4 h GLU 223 Cb 0.46 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1qx4 h GLU 223 CO 0.03 0.88 0.30 -0.07 -0.73 0.00 0.00 179.01 179.42 1qx4 h LEU 224 N 0.34 0.49 -0.33 1.64 3.38 -0.63 0.19 115.31 120.40 1qx4 h LEU 224 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qx4 h LEU 224 Cb 0.73 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1qx4 h LEU 224 CO 0.05 0.35 0.16 -0.09 0.09 0.00 0.00 178.44 179.00 1qx4 h ARG 225 N 0.60 0.47 -0.59 1.13 2.43 0.02 0.12 114.38 118.56 1qx4 h ARG 225 Ca 0.20 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1qx4 h ARG 225 Cb 0.00 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1qx4 h ARG 225 CO -0.08 0.44 0.32 -0.91 -1.51 0.00 0.00 179.97 178.23 1qx4 h ASN 226 N 0.39 0.72 0.85 -3.80 2.35 0.11 -0.92 115.58 115.28 1qx4 h ASN 226 Ca 0.11 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1qx4 h ASN 226 Cb 0.12 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1qx4 h ASN 226 CO -0.01 0.58 -0.64 -0.62 -1.65 0.00 0.00 177.43 175.09 1qx4 n GLU 227 N -4.39 0.30 -2.89 0.81 1.02 0.63 -4.30 120.64 111.81 1qx4 n GLU 227 Ca 0.05 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 1qx4 n GLU 227 Cb 0.10 -1.69 0.01 0.00 -0.02 0.00 0.00 31.44 29.84 1qx4 n GLU 227 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1qx4 n HIS 228 N -2.12 0.46 0.29 -0.32 8.25 0.38 -4.93 115.22 117.23 1qx4 n HIS 228 Ca 0.03 -3.18 0.13 0.00 -0.26 0.00 0.00 57.72 54.44 1qx4 n HIS 228 Cb 0.44 -0.26 0.84 0.00 1.12 0.00 0.00 29.99 32.13 1qx4 n HIS 228 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1qx4 h SER 229 N 2.96 0.00 -0.22 0.41 4.64 -1.36 0.33 113.55 120.31 1qx4 h SER 229 Ca -0.02 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 1qx4 h SER 229 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1qx4 h SER 229 CO 0.47 0.01 -0.58 0.28 -0.87 0.00 0.00 176.83 176.13 1qx4 h SER 230 N 0.00 0.93 -0.23 4.97 0.02 -1.91 -3.29 113.55 114.03 1qx4 h SER 230 Ca -0.00 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1qx4 h SER 230 Cb 0.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1qx4 h SER 230 CO 0.00 1.30 0.00 0.54 -1.14 0.00 0.00 176.83 177.53 1qx4 n ARG 231 N -3.99 2.01 -3.61 3.45 1.74 -0.93 -4.86 116.66 110.48 1qx4 n ARG 231 Ca -0.05 -1.90 -0.24 0.00 -0.77 0.00 0.00 57.85 54.90 1qx4 n ARG 231 Cb 0.64 -1.39 -0.17 0.00 -1.02 0.00 0.00 32.46 30.53 1qx4 n ARG 231 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1qx4 s PHE 232 N -1.34 0.10 -0.10 -1.55 5.36 0.06 0.67 117.98 121.18 1qx4 s PHE 232 Ca 0.28 -0.13 -0.04 0.00 -0.96 0.00 0.00 56.93 56.09 1qx4 s PHE 232 Cb 0.17 -0.60 -0.04 0.00 -0.34 0.00 0.00 43.02 42.21 1qx4 s PHE 232 CO 0.24 -0.47 0.04 0.15 -1.46 0.00 0.00 175.22 173.73 1qx4 s LYS 233 N 2.17 3.16 -0.03 10.12 -0.14 0.86 -4.40 119.74 131.48 1qx4 s LYS 233 Ca 0.03 -0.33 0.01 0.00 -1.36 0.00 0.00 55.97 54.33 1qx4 s LYS 233 Cb -0.15 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 33.09 1qx4 s LYS 233 CO -0.08 0.71 -0.05 -1.17 -0.76 0.00 0.00 175.35 173.99 1qx4 s LEU 234 N -0.87 1.57 -0.03 3.17 2.96 -1.26 -0.11 118.68 124.11 1qx4 s LEU 234 Ca 0.13 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1qx4 s LEU 234 Cb -0.12 -0.40 0.01 0.00 0.50 0.00 0.00 46.19 46.18 1qx4 s LEU 234 CO 0.03 -0.01 0.12 0.86 -1.32 0.00 0.00 176.35 176.03 1qx4 s TRP 235 N 0.53 -0.06 0.18 5.38 -0.11 0.53 -4.95 118.94 120.43 1qx4 s TRP 235 Ca -0.07 0.14 0.10 0.00 1.22 0.00 0.00 56.10 57.50 1qx4 s TRP 235 Cb -0.10 0.00 -0.04 0.00 -1.50 0.00 0.00 33.47 31.83 1qx4 s TRP 235 CO 0.00 -0.15 -0.19 0.71 -4.62 0.00 0.00 176.95 172.70 1qx4 s TYR 236 N -0.48 2.43 0.01 5.86 2.02 -1.26 -0.45 117.35 125.47 1qx4 s TYR 236 Ca -0.06 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1qx4 s TYR 236 Cb -0.04 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1qx4 s TYR 236 CO 0.01 0.48 -0.02 -0.08 -1.57 0.00 0.00 175.55 174.37 1qx4 s THR 237 N -1.59 0.13 0.02 -0.71 -1.32 -0.39 -1.08 115.64 110.70 1qx4 s THR 237 Ca 0.21 -0.38 0.05 0.00 -1.21 0.00 0.00 61.69 60.36 1qx4 s THR 237 Cb -0.09 -0.17 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1qx4 s THR 237 CO 0.11 -0.16 -0.15 0.68 -2.21 0.00 0.00 174.62 172.89 1qx4 s VAL 238 N -0.55 1.15 0.12 5.08 -7.23 -0.80 -1.46 120.40 116.70 1qx4 s VAL 238 Ca -0.05 -0.89 -0.23 0.00 -1.81 0.00 0.00 61.98 59.00 1qx4 s VAL 238 Cb -0.04 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.82 1qx4 s VAL 238 CO -0.00 0.12 1.68 0.44 -0.31 0.00 0.00 175.10 177.03 1qx4 h ASP 239 N 5.19 -0.36 -3.55 4.85 3.32 -0.60 0.22 116.42 125.49 1qx4 h ASP 239 Ca -0.37 0.06 -0.67 0.00 0.02 0.00 0.00 57.03 56.06 1qx4 h ASP 239 Cb 1.17 0.16 -0.30 0.00 0.22 0.00 0.00 39.33 40.58 1qx4 h ASP 239 CO 0.45 -0.17 -0.70 -0.75 -1.72 0.00 0.00 179.24 176.35 1qx4 s LYS 240 N -6.15 2.90 0.22 3.56 2.36 -0.26 -3.70 119.74 118.67 1qx4 s LYS 240 Ca -0.14 -0.95 -0.10 0.00 -2.55 0.00 0.00 55.97 52.23 1qx4 s LYS 240 Cb 0.09 -3.12 -0.07 0.00 -1.05 0.00 0.00 37.83 33.68 1qx4 s LYS 240 CO 0.67 -0.42 0.53 0.00 1.55 0.00 0.00 175.35 177.68 1qx4 s ALA 241 N 1.38 3.59 0.95 3.13 0.00 -1.26 -4.06 121.76 125.49 1qx4 s ALA 241 Ca 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1qx4 s ALA 241 Cb -0.17 -2.41 0.16 0.00 0.00 0.00 0.00 23.12 20.70 1qx4 s ALA 241 CO -0.02 0.52 1.10 -1.25 0.00 0.00 0.00 175.76 176.11 1qx4 s PRO 242 N -2.74 0.81 0.27 0.00 0.04 -1.26 -4.90 135.00 127.22 1qx4 s PRO 242 Ca 0.46 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.06 1qx4 s PRO 242 Cb -0.12 -1.78 0.42 0.00 0.04 0.00 0.00 34.50 33.07 1qx4 s PRO 242 CO 0.21 -2.49 1.89 0.22 0.04 0.00 0.00 177.00 176.87 1qx4 h ASP 243 N -1.72 1.03 -3.53 6.66 1.82 -2.08 -3.32 116.42 115.28 1qx4 h ASP 243 Ca -0.52 0.01 -0.71 0.00 -0.39 0.00 0.00 57.03 55.41 1qx4 h ASP 243 Cb 1.31 -0.21 -0.25 0.00 0.68 0.00 0.00 39.33 40.86 1qx4 h ASP 243 CO 0.57 0.66 -0.49 0.00 -1.61 0.00 0.00 179.24 178.37 1qx4 s ALA 244 N -6.02 3.30 -0.05 -0.78 0.00 -1.26 -5.05 121.76 111.90 1qx4 s ALA 244 Ca -0.12 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 49.95 1qx4 s ALA 244 Cb 0.20 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.71 1qx4 s ALA 244 CO 0.81 -1.49 0.09 -0.46 0.00 0.00 0.00 175.76 174.71 1qx4 s TRP 245 N 1.52 -0.05 -2.68 0.00 -0.00 -1.25 -5.02 118.94 111.47 1qx4 s TRP 245 Ca 0.02 0.34 0.26 0.00 -0.00 0.00 0.00 56.10 56.72 1qx4 s TRP 245 Cb -0.21 -0.26 0.64 0.00 -0.00 0.00 0.00 33.47 33.64 1qx4 s TRP 245 CO 0.05 -0.17 1.51 -0.25 -0.00 0.00 0.00 176.95 178.10 1qx4 n ASP 246 N 4.68 2.14 0.00 5.86 8.00 -1.26 -4.94 116.55 131.03 1qx4 n ASP 246 Ca -0.17 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1qx4 n ASP 246 Cb 0.50 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1qx4 n ASP 246 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1qx4 n TYR 247 N 0.65 0.00 -3.15 1.24 4.02 -1.26 -5.07 117.16 113.58 1qx4 n TYR 247 Ca 0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.82 1qx4 n TYR 247 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1qx4 n TYR 247 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1qx4 s SER 248 N 0.17 6.09 0.08 7.72 0.01 -0.24 -5.01 113.70 122.52 1qx4 s SER 248 Ca 0.00 0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.72 1qx4 s SER 248 Cb 0.00 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1qx4 s SER 248 CO 0.00 -0.50 -0.14 -1.58 0.41 0.00 0.00 173.24 171.43 1qx4 s GLN 249 N -4.45 0.88 0.00 12.44 0.74 -1.26 -1.91 119.66 126.10 1qx4 s GLN 249 Ca 0.44 -1.04 0.00 0.00 0.05 0.00 0.00 55.36 54.82 1qx4 s GLN 249 Cb -0.10 -0.87 0.00 0.00 1.10 0.00 0.00 33.01 33.15 1qx4 s GLN 249 CO 0.37 0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.71 1qx4 n GLY 250 N 1.08 0.08 3.69 2.59 0.00 0.77 -4.80 105.19 108.60 1qx4 n GLY 250 Ca -0.20 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1qx4 n GLY 250 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qx4 s PHE 251 N -1.87 1.73 0.37 1.61 0.08 -1.26 -4.39 117.98 114.25 1qx4 s PHE 251 Ca 0.00 1.71 -0.28 0.00 0.12 0.00 0.00 56.93 58.48 1qx4 s PHE 251 Cb 0.00 -3.44 -0.11 0.00 -0.57 0.00 0.00 43.02 38.89 1qx4 s PHE 251 CO 0.00 -2.85 1.45 0.28 -0.10 0.00 0.00 175.22 174.00 1qx4 n VAL 252 N -3.61 1.97 -4.36 -0.44 0.31 -1.26 -4.99 118.33 105.96 1qx4 n VAL 252 Ca 0.13 -0.49 -0.22 0.00 -0.01 0.00 0.00 64.34 63.75 1qx4 n VAL 252 Cb 0.51 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 1qx4 n VAL 252 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qx4 s ASN 253 N -0.15 2.13 0.17 4.52 2.20 -1.26 -4.66 114.94 117.89 1qx4 s ASN 253 Ca 0.54 -1.77 -0.14 0.00 -0.94 0.00 0.00 52.86 50.54 1qx4 s ASN 253 Cb -0.49 0.59 0.10 0.00 -2.00 0.00 0.00 41.25 39.44 1qx4 s ASN 253 CO 0.63 -1.06 1.79 -0.33 -2.94 0.00 0.00 177.10 175.20 1qx4 h GLU 254 N 1.99 0.47 -0.58 3.55 5.08 -1.87 -1.77 114.58 121.44 1qx4 h GLU 254 Ca -0.27 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1qx4 h GLU 254 Cb 1.24 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1qx4 h GLU 254 CO 0.41 0.31 0.33 1.49 -1.00 0.00 0.00 179.01 180.55 1qx4 h GLU 255 N 0.48 0.63 -0.73 2.33 4.22 -1.96 0.60 114.58 120.15 1qx4 h GLU 255 Ca 0.20 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.55 1qx4 h GLU 255 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1qx4 h GLU 255 CO -0.13 0.42 0.28 0.52 -2.18 0.00 0.00 179.01 177.92 1qx4 h MET 256 N 0.65 1.11 -0.26 1.92 2.86 -1.89 0.28 114.93 119.59 1qx4 h MET 256 Ca 0.25 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1qx4 h MET 256 Cb 0.09 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1qx4 h MET 256 CO -0.13 0.91 -0.08 0.82 1.06 0.00 0.00 176.91 179.49 1qx4 h ILE 257 N 1.06 1.29 -0.67 -1.22 2.04 -0.45 0.20 117.51 119.76 1qx4 h ILE 257 Ca 0.24 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1qx4 h ILE 257 Cb 0.23 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1qx4 h ILE 257 CO -0.02 0.35 0.17 0.03 0.00 0.00 0.00 178.15 178.67 1qx4 h ARG 258 N 0.25 1.07 0.00 2.37 3.08 0.46 -2.45 114.38 119.15 1qx4 h ARG 258 Ca 0.06 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1qx4 h ARG 258 Cb 0.56 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1qx4 h ARG 258 CO 0.03 0.95 -0.92 -0.25 -1.07 0.00 0.00 179.97 178.71 1qx4 n ASP 259 N -4.29 0.78 0.00 7.04 8.00 0.96 -4.39 116.55 124.66 1qx4 n ASP 259 Ca 0.04 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1qx4 n ASP 259 Cb 0.25 0.83 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 1qx4 n ASP 259 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qx4 n HIS 260 N -1.59 0.00 -4.25 1.24 8.25 0.70 -5.02 115.22 114.55 1qx4 n HIS 260 Ca 0.04 -0.27 -0.18 0.00 -0.26 0.00 0.00 57.72 57.05 1qx4 n HIS 260 Cb 0.36 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 1qx4 n HIS 260 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qx4 s LEU 261 N -0.55 2.42 0.68 2.41 1.43 -0.92 -4.53 118.68 119.62 1qx4 s LEU 261 Ca 0.00 -0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 52.10 1qx4 s LEU 261 Cb 0.00 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.70 1qx4 s LEU 261 CO 0.00 -0.17 1.20 -2.16 0.23 0.00 0.00 176.35 175.45 1qx4 s PRO 262 N -2.83 2.49 0.73 1.29 0.04 -1.26 -4.73 135.00 130.73 1qx4 s PRO 262 Ca 0.10 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1qx4 s PRO 262 Cb -0.04 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1qx4 s PRO 262 CO 0.03 -1.56 1.10 -1.25 0.04 0.00 0.00 177.00 175.35 1qx4 s PRO 263 N -3.74 2.48 0.50 0.56 0.04 -1.26 -4.94 135.00 128.64 1qx4 s PRO 263 Ca 0.75 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.80 1qx4 s PRO 263 Cb -0.29 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1qx4 s PRO 263 CO 0.41 -1.48 1.31 -2.30 0.04 0.00 0.00 177.00 174.97 1qx4 n PRO 264 N -3.09 1.76 0.00 0.56 -0.02 -1.26 -4.68 135.00 128.26 1qx4 n PRO 264 Ca 0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1qx4 n PRO 264 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1qx4 n PRO 264 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qx4 n GLY 265 N 0.80 1.83 0.30 -1.23 0.00 -1.26 -4.94 105.19 100.69 1qx4 n GLY 265 Ca 0.09 -0.85 0.15 0.00 0.00 0.00 0.00 46.02 45.41 1qx4 n GLY 265 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qx4 h GLU 266 N 0.00 0.00 -0.59 1.61 4.81 -1.99 -0.16 114.58 118.26 1qx4 h GLU 266 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qx4 h GLU 266 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qx4 h GLU 266 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 1qx4 n GLU 267 N -3.85 4.50 -4.96 1.92 1.02 -1.26 -4.78 120.64 113.22 1qx4 n GLU 267 Ca -0.03 -3.08 -0.28 0.00 -0.02 0.00 0.00 57.16 53.76 1qx4 n GLU 267 Cb 0.08 -2.14 -0.16 0.00 -0.02 0.00 0.00 31.44 29.20 1qx4 n GLU 267 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qx4 s THR 268 N -2.50 1.61 -0.03 2.62 2.01 -0.07 -0.81 115.64 118.45 1qx4 s THR 268 Ca 0.53 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1qx4 s THR 268 Cb 0.39 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1qx4 s THR 268 CO 0.18 0.46 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.24 1qx4 s LEU 269 N -0.06 1.84 -0.13 4.42 2.96 -0.53 -4.61 118.68 122.58 1qx4 s LEU 269 Ca -0.03 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1qx4 s LEU 269 Cb -0.12 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1qx4 s LEU 269 CO 0.02 0.10 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.41 1qx4 s ILE 270 N 0.10 3.23 0.03 6.68 -1.09 0.33 0.37 121.20 130.85 1qx4 s ILE 270 Ca -0.02 -0.60 0.05 0.00 -2.23 0.00 0.00 60.65 57.84 1qx4 s ILE 270 Cb -0.09 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.39 1qx4 s ILE 270 CO 0.01 0.52 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.38 1qx4 s LEU 271 N 0.27 3.00 0.01 2.97 1.43 0.19 0.04 118.68 126.58 1qx4 s LEU 271 Ca -0.08 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1qx4 s LEU 271 Cb -0.15 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 1qx4 s LEU 271 CO 0.05 0.26 -0.03 -0.04 0.23 0.00 0.00 176.35 176.81 1qx4 s MET 272 N -1.56 0.28 -0.25 1.70 -1.94 0.94 0.03 119.30 118.49 1qx4 s MET 272 Ca 0.17 -0.29 -0.07 0.00 -1.71 0.00 0.00 55.69 53.79 1qx4 s MET 272 Cb -0.11 -0.16 0.12 0.00 2.01 0.00 0.00 34.83 36.70 1qx4 s MET 272 CO 0.08 0.04 0.52 0.00 -0.01 0.00 0.00 175.02 175.65 1qx4 s GLY 274 N 2.74 -0.13 0.56 0.00 0.00 -1.26 -0.71 107.32 108.52 1qx4 s GLY 274 Ca 0.02 0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.61 1qx4 s GLY 274 CO -0.16 4.90 0.98 -1.05 0.00 0.00 0.00 173.10 177.76 1qx4 n PRO 275 N -0.85 1.03 -0.26 2.90 -0.02 -1.26 -4.65 135.00 131.89 1qx4 n PRO 275 Ca 0.02 0.39 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 1qx4 n PRO 275 Cb 0.59 -2.15 0.20 0.00 -0.02 0.00 0.00 33.50 32.11 1qx4 n PRO 275 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qx4 h PRO 276 N 0.74 0.35 0.00 0.52 0.11 -2.00 0.19 132.00 131.91 1qx4 h PRO 276 Ca -0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1qx4 h PRO 276 Cb 1.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1qx4 h PRO 276 CO 0.52 0.23 -0.28 -1.00 -0.21 0.00 0.00 178.00 177.27 1qx4 h PRO 277 N 0.36 0.00 -0.08 1.05 0.13 -1.98 0.28 132.00 131.75 1qx4 h PRO 277 Ca 0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.55 1qx4 h PRO 277 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1qx4 h PRO 277 CO -0.47 0.28 0.02 1.98 -0.23 0.00 0.00 178.00 179.57 1qx4 h MET 278 N 0.00 0.14 0.43 0.86 4.05 -1.01 0.21 114.93 119.60 1qx4 h MET 278 Ca -0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1qx4 h MET 278 Cb 0.57 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1qx4 h MET 278 CO 0.04 0.35 -0.27 0.82 0.23 0.00 0.00 176.91 178.08 1qx4 h ILE 279 N -0.09 0.45 -0.37 1.77 1.08 -0.50 0.15 117.51 119.99 1qx4 h ILE 279 Ca 0.03 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.35 1qx4 h ILE 279 Cb 0.27 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 1qx4 h ILE 279 CO 0.00 0.00 -0.34 -0.61 -0.69 0.00 0.00 178.15 176.51 1qx4 h GLN 280 N -0.66 0.84 0.00 2.37 5.75 -0.45 0.17 115.11 123.13 1qx4 h GLN 280 Ca -0.05 -0.41 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1qx4 h GLN 280 Cb 0.55 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 1qx4 h GLN 280 CO 0.05 1.05 -1.76 1.19 -2.65 0.00 0.00 178.83 176.71 1qx4 n PHE 281 N -4.07 0.00 -0.05 3.99 3.72 0.73 -4.18 117.46 117.61 1qx4 n PHE 281 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1qx4 n PHE 281 Cb 0.51 -0.39 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 1qx4 n PHE 281 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qx4 n ALA 282 N -2.09 1.79 -0.05 4.37 0.00 -0.04 -4.75 120.51 119.74 1qx4 n ALA 282 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1qx4 n ALA 282 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1qx4 n ALA 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qx4 h LEU 284 N 0.00 -1.41 -1.52 0.00 3.38 -0.88 0.22 115.31 115.10 1qx4 h LEU 284 Ca 0.00 0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1qx4 h LEU 284 Cb 0.00 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1qx4 h LEU 284 CO 0.00 -0.32 -0.13 1.55 0.09 0.00 0.00 178.44 179.64 1qx4 h PRO 285 N -0.18 0.16 0.04 1.13 0.13 -1.81 -0.94 132.00 130.51 1qx4 h PRO 285 Ca 0.21 -0.03 -0.26 0.00 -0.87 0.00 0.00 66.00 65.05 1qx4 h PRO 285 Cb 0.56 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1qx4 h PRO 285 CO -0.72 0.29 -1.30 -0.91 -0.23 0.00 0.00 178.00 175.13 1qx4 h ASN 286 N 0.15 0.12 -0.35 1.44 2.35 -1.39 -1.46 115.58 116.44 1qx4 h ASN 286 Ca 0.03 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1qx4 h ASN 286 Cb 0.32 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1qx4 h ASN 286 CO 0.02 1.13 0.02 -0.07 -1.65 0.00 0.00 177.43 176.88 1qx4 h LEU 287 N 0.02 0.66 -0.21 1.61 3.38 -0.42 0.28 115.31 120.63 1qx4 h LEU 287 Ca -0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1qx4 h LEU 287 Cb 1.90 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1qx4 h LEU 287 CO 0.13 0.72 -0.04 -0.08 0.09 0.00 0.00 178.44 179.26 1qx4 h GLU 288 N 0.67 0.40 0.00 1.13 4.81 -1.09 0.50 114.58 121.00 1qx4 h GLU 288 Ca 0.14 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1qx4 h GLU 288 Cb 0.38 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1qx4 h GLU 288 CO 0.01 0.63 -0.26 0.00 -0.73 0.00 0.00 179.01 178.66 1qx4 h ARG 289 N 0.14 0.00 0.00 1.92 3.08 -0.74 -1.42 114.38 117.36 1qx4 h ARG 289 Ca 0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1qx4 h ARG 289 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1qx4 h ARG 289 CO 0.02 0.26 -0.45 0.28 -1.07 0.00 0.00 179.97 179.01 1qx4 h VAL 290 N 0.00 0.78 0.00 2.04 2.07 -0.15 -3.47 116.25 117.52 1qx4 h VAL 290 Ca -0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1qx4 h VAL 290 Cb 0.50 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1qx4 h VAL 290 CO 0.03 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.67 1qx4 n GLY 291 N 1.15 1.29 3.66 2.17 0.00 0.30 -4.80 105.19 108.96 1qx4 n GLY 291 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1qx4 n GLY 291 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qx4 s HIS 292 N -2.00 3.27 0.37 1.61 3.76 0.15 -4.76 115.29 117.70 1qx4 s HIS 292 Ca 0.00 1.40 -0.27 0.00 -0.15 0.00 0.00 55.06 56.04 1qx4 s HIS 292 Cb 0.00 -3.30 -0.09 0.00 1.11 0.00 0.00 32.58 30.30 1qx4 s HIS 292 CO 0.00 -0.68 1.20 -1.25 -0.85 0.00 0.00 174.74 173.16 1qx4 s PRO 293 N 3.09 4.18 0.35 8.40 0.04 -1.26 -4.34 135.00 145.46 1qx4 s PRO 293 Ca 0.47 1.95 0.12 0.00 0.04 0.00 0.00 61.00 63.57 1qx4 s PRO 293 Cb -0.17 -2.83 0.94 0.00 0.04 0.00 0.00 34.50 32.49 1qx4 s PRO 293 CO 0.09 -0.25 1.77 0.87 0.04 0.00 0.00 177.00 179.52 1qx4 h LYS 294 N 2.93 0.53 0.00 4.56 1.79 -1.94 0.12 116.57 124.57 1qx4 h LYS 294 Ca -0.49 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1qx4 h LYS 294 Cb 1.23 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1qx4 h LYS 294 CO 0.64 0.35 0.00 1.05 -1.08 0.00 0.00 179.45 180.41 1qx4 h GLU 295 N 0.55 0.00 -0.48 3.15 9.09 -2.02 -1.94 114.58 122.93 1qx4 h GLU 295 Ca 0.60 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.78 1qx4 h GLU 295 Cb 1.24 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.20 1qx4 h GLU 295 CO -0.37 0.00 0.08 0.54 0.05 0.00 0.00 179.01 179.32 1qx4 n ARG 296 N -2.33 2.13 -4.42 1.06 1.74 0.41 -4.90 116.66 110.35 1qx4 n ARG 296 Ca 0.02 -3.11 -0.19 0.00 -0.77 0.00 0.00 57.85 53.79 1qx4 n ARG 296 Cb 0.22 -1.91 -0.15 0.00 -1.02 0.00 0.00 32.46 29.61 1qx4 n ARG 296 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qx4 s PHE 298 N -0.26 0.44 -0.16 0.00 5.36 0.11 -4.93 117.98 118.53 1qx4 s PHE 298 Ca 0.04 -0.08 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 1qx4 s PHE 298 Cb -0.04 -0.33 0.01 0.00 -0.34 0.00 0.00 43.02 42.32 1qx4 s PHE 298 CO -0.00 -0.04 -0.20 0.99 -1.46 0.00 0.00 175.22 174.50 1qx4 s THR 299 N 0.14 2.14 -2.00 0.12 2.01 -1.26 -0.04 115.64 116.74 1qx4 s THR 299 Ca -0.01 -0.93 0.09 0.00 0.31 0.00 0.00 61.69 61.15 1qx4 s THR 299 Cb -0.05 -1.88 0.26 0.00 0.01 0.00 0.00 72.50 70.84 1qx4 s THR 299 CO -0.00 0.54 1.00 0.49 -0.69 0.00 0.00 174.62 175.96